SMILES
stringlengths 12
1.04k
| aminoseq
stringlengths 2
50
| inertia_mass_a
float64 0.33
5.89k
| inertia_mass_b
float64 0.31
5.72k
| inertia_mass_c
float64 0.08
540
| inertia_valence_a
float64 0.39
5.97k
| inertia_valence_b
float64 0.36
5.87k
| inertia_valence_c
float64 0.03
452
| length_a
float64 0.49
11.8
| length_b
float64 0.23
4.74
| length_c
float64 0.16
3.35
| spherocity
float64 0.01
0.88
| plane_best_fit
float64 0.37
5.43
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@H](C=O)CC(C)C | EDMNQKLFDLRGKFKRPPLRRVRMSADAML | 151.365457 | 137.720653 | 94.338504 | 167.55882 | 152.199448 | 101.148346 | 2.633229 | 1.979155 | 1.859655 | 0.620551 | 3.117361 |
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CC(N)=O | CCSQDCRVCIPCCPN | 45.485966 | 35.826837 | 24.457867 | 38.485579 | 31.784009 | 21.496289 | 1.970235 | 1.541392 | 1.003746 | 0.442272 | 2.045718 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O | QIWNNMTWMEWDREINNYTSLIHSLIEESQNQ | 558.408736 | 537.491066 | 69.40653 | 440.176631 | 424.518761 | 63.941753 | 4.566376 | 1.89077 | 1.39644 | 0.125542 | 2.22685 |
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H](C(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC1=O | DCYCRIPACIAGERRYGTCIYQGRLWAFCC | 163.665051 | 159.464325 | 76.31226 | 144.192809 | 135.225106 | 68.473764 | 2.636926 | 1.672287 | 1.867304 | 0.53799 | 2.977106 |
CC(C)[C@@H](C=O)NC(O)C(CC1CNCN1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(C)C | SQCCAVKKNCCHV | 59.941138 | 54.635484 | 14.298605 | 60.383445 | 55.329321 | 14.990253 | 2.255429 | 1.212972 | 0.980986 | 0.222478 | 1.738058 |
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(C)C | KSLVRRWRSRW | 44.435476 | 36.437552 | 28.09247 | 50.891714 | 45.323284 | 30.862279 | 2.083145 | 1.607499 | 1.550366 | 0.543723 | 2.28325 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(C)C | SFLDTLKNLAISAAKGAGQSVLSTLSCKLSETC | 438.163843 | 420.358553 | 69.590374 | 432.875153 | 416.63665 | 75.231253 | 4.243442 | 2.184614 | 1.742943 | 0.168595 | 2.542911 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CO)CC1CNCN1)[C@@H](C)O | GLLGLLGSVVSHVLPAITQH | 54.199871 | 45.556923 | 34.503965 | 69.348776 | 57.785006 | 43.25803 | 1.752056 | 1.580757 | 1.281254 | 0.576619 | 2.506339 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)CS)C(C)C)C(C)C | FFPALISCVVLKDC | 48.218436 | 40.169879 | 23.145949 | 50.066496 | 37.961818 | 29.47389 | 2.255698 | 1.793563 | 1.189567 | 0.396215 | 2.044182 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O | ATITVVNRCSYTVWPGALPGGGVRLDPGQRWALNMPAGTAGAAV | 340.184328 | 321.729426 | 113.523241 | 300.690268 | 282.381643 | 106.1096 | 3.543355 | 2.079977 | 1.712192 | 0.36591 | 3.029214 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] | RIDR | 8.175435 | 7.007585 | 2.567536 | 10.387461 | 8.075185 | 3.524771 | 1.30106 | 0.964595 | 0.512367 | 0.22531 | 1.005037 |
CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)[C@@H](C)O)[C@@H](C)O | MLGQTPT | 9.100002 | 9.036058 | 4.77635 | 10.088908 | 9.052216 | 6.371484 | 1.273053 | 0.872251 | 0.896436 | 0.60547 | 1.598086 |
C[C@@H](C=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O | YAPWTNA | 10.36416 | 8.69592 | 6.73849 | 8.994979 | 7.521224 | 6.425367 | 1.161382 | 0.965551 | 0.891061 | 0.581339 | 1.644575 |
CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C=O)CS)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O | GLLDTVKNLATNLAGQLLDRLKCKVTGC | 221.637166 | 197.650458 | 50.013707 | 237.029593 | 210.876919 | 63.306222 | 3.346702 | 1.863659 | 1.182178 | 0.167693 | 1.981189 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)CCC(=O)O)C(C)C | WFQRIPLGWFHCTYQKGKQHCRLRIRQKVEE | 201.825384 | 157.352936 | 121.164721 | 179.59607 | 147.361307 | 114.153106 | 2.513167 | 2.120928 | 1.808565 | 0.480545 | 2.903655 |
CCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)C(C)C)[C@@H](C)O | DDDDKRAGSPSGGPFCALARQPLTGSPPNERAFFCSSRDV | 234.958294 | 180.383716 | 132.473168 | 207.331621 | 165.109079 | 116.523026 | 2.870635 | 2.571791 | 1.696579 | 0.426883 | 2.82381 |
CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NC(CC1CNCN1)C(O)NC(CC1CNCN1)C(O)NC(CC1CNCN1)C(O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O | LCYTHHHFTVCV | 27.468565 | 24.784386 | 18.239336 | 32.075732 | 26.605368 | 21.694479 | 1.585423 | 1.434175 | 1.14373 | 0.638971 | 2.103471 |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CS | GLLSGVLGVGKKVLCGLSGLC | 72.885475 | 52.888445 | 37.348556 | 81.697359 | 60.076754 | 48.860309 | 2.219785 | 1.99365 | 1.17579 | 0.331478 | 1.974197 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)NC(CC1CNCN1)C(O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CS)C(C)C)[C@@H](C)CC | GLLSGILGAGKHIVCRLSGLC | 93.258243 | 75.05904 | 31.296828 | 97.759811 | 83.735079 | 36.642535 | 2.471257 | 1.631335 | 0.984581 | 0.205436 | 1.680739 |
N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)Cc1ccc(O)cc1 | FY | 2.488962 | 2.133804 | 1.257569 | 2.019814 | 1.785685 | 0.96197 | 0.880043 | 0.61626 | 0.558071 | 0.443876 | 1.082194 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC1=O)C(C)C | GLFSKFAGKGTKNFIIKGVKHIGKEVGMDVIRTGIDVAGCKIKGEC | 657.400989 | 653.441909 | 119.142782 | 626.186317 | 620.744954 | 135.324216 | 4.590635 | 1.937616 | 2.196214 | 0.243783 | 3.238768 |
NC(CC1CNCN1)C(O)NC(CC1CNCN1)C(O)N1CCC[C@H]1C(=O)NC(CC1CNCN1)C(O)NCC(=O)NC(CC1CNCN1)C(O)NC(CC1CNCN1)C(O)N1CCC[C@H]1C(=O)NC(CC1CNCN1)C(O)NCC(=O)NC(CC1CNCN1)C(O)NC(CC1CNCN1)C(O)N1CCC[C@H]1C(=O)NC(CC1CNCN1)C(O)NCC=O | HHPHGHHPHGHHPHG | 63.431533 | 60.075163 | 17.5734 | 75.31859 | 70.404611 | 20.792965 | 2.250661 | 1.139285 | 1.015682 | 0.298392 | 1.932527 |
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](CO)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCC[NH3+] | GSHTEHTTYAADRFK | 48.480965 | 34.852371 | 28.704226 | 47.352079 | 33.368585 | 31.426577 | 1.863845 | 1.601913 | 0.970183 | 0.409688 | 2.023911 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC | MDILIIVGG | 16.754162 | 14.706552 | 7.935917 | 17.655013 | 16.928515 | 11.201595 | 1.494542 | 1.263671 | 1.036497 | 0.493106 | 1.661505 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC1=O | SNKRKNAAMLDMIAQHAIRGCCSDPRCKHQCG | 346.719095 | 276.763176 | 139.350005 | 319.678017 | 267.334849 | 120.832704 | 3.911636 | 2.844322 | 1.926616 | 0.271465 | 2.906055 |
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O | TCSIPYEYSNGKLKRTLYYSNGVYANSFTENN | 880.4669 | 646.657805 | 274.108514 | 704.258591 | 525.525106 | 214.906875 | 4.888888 | 3.672593 | 1.232403 | 0.066642 | 2.184899 |
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)Cc3ccccc3)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N2)NC1=O | FFSASCVPGADKGQFPNLCRLCAGTGENKCA | 163.319093 | 142.004361 | 72.979703 | 139.924307 | 123.70126 | 65.818311 | 3.033624 | 1.989651 | 1.491222 | 0.406441 | 2.62242 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C=O)[C@@H](C)O)[C@@H](C)O | LDITPFLSLTLP | 22.917701 | 21.062358 | 18.801228 | 31.966117 | 28.669667 | 23.17163 | 1.656954 | 1.506153 | 1.140062 | 0.810156 | 2.552015 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C=O)CC(N)=O)[C@@H](C)O)[C@@H](C)O | LIAKTALPQTN | 24.087273 | 18.952143 | 12.688173 | 30.409202 | 23.497042 | 17.2617 | 1.648363 | 1.34596 | 0.866182 | 0.403745 | 1.714838 |
CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(O)C(CC1CNCN1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC=O | RRHPPCCLYGKCRRYPGCSSASCCQRG | 137.988249 | 125.857546 | 68.598131 | 124.839502 | 115.968894 | 68.492869 | 2.508472 | 2.025428 | 1.481392 | 0.518869 | 2.860621 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C=O)[C@@H](C)CC)[C@@H](C)O)C(C)C | GIGDPVTCLKSGAIA | 36.999936 | 31.8349 | 16.399815 | 41.153395 | 35.74426 | 19.343184 | 1.913737 | 1.222205 | 0.930061 | 0.408608 | 1.935962 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CC1CNCN1)C(O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(N)=O | GLFGVLAKVASHVVPAIAEHFQA | 90.96279 | 77.900801 | 40.670165 | 103.38264 | 93.372167 | 46.561601 | 2.404004 | 1.707764 | 1.33674 | 0.401161 | 2.239376 |
CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O | PVCTRNGLPVCGETCVGGTCNTPGCTCSW | 167.045214 | 152.269714 | 46.95218 | 145.518094 | 130.596407 | 43.820863 | 3.059796 | 1.536717 | 1.060859 | 0.260078 | 2.232643 |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(N)=O | QPDPNAFYGLM | 28.271037 | 26.701755 | 12.43162 | 27.684625 | 25.916556 | 10.927822 | 1.736048 | 1.032213 | 1.076223 | 0.494662 | 1.957935 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)C(C)C | KNYGNGVHCTKKGCSVDWGYAWANIANNSVMNGLTGGNAGWHN | 887.557131 | 826.678284 | 112.02928 | 727.42872 | 669.875277 | 100.383099 | 4.936517 | 2.878978 | 1.426203 | 0.083508 | 2.147235 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CS)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC | SINSQIGKATSSISKCVFSFFKKC | 101.716164 | 93.069079 | 42.897037 | 102.895865 | 93.220263 | 51.423091 | 2.27875 | 1.57738 | 1.366579 | 0.426533 | 2.39455 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C=O)C(C)C)[C@@H](C)CC)[C@@H](C)O | SLIQFETLIMKVAGQSGMFSYSA | 98.617583 | 78.906633 | 45.753954 | 98.340747 | 79.496221 | 48.953976 | 2.265743 | 1.84693 | 1.091048 | 0.351805 | 2.209853 |
CCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H]1C[SH]2SC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)[C@@H](C)CC)CS2)[C@@H](C)CC | MQGKISSEQHPMFDPIEGCCTQSCTTCFPCCLI | 171.899873 | 139.17029 | 99.427461 | 154.697951 | 125.370041 | 89.098045 | 2.775061 | 2.272079 | 1.52011 | 0.485369 | 2.865457 |
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)Cc1ccccc1 | FFPLLFGALSSMMPKLF | 58.864259 | 45.20719 | 38.38187 | 63.108774 | 51.321871 | 41.837782 | 2.075709 | 1.7801 | 1.381671 | 0.496444 | 2.359862 |
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CC(C)C)C(C)C)[C@@H](C)O | YCQKWMWTCDSKRKCCEDMVCQLWCKKRL | 307.334752 | 282.11152 | 77.748844 | 300.568124 | 278.318316 | 69.842214 | 3.621635 | 1.954368 | 1.430533 | 0.225194 | 2.516761 |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCC[NH3+])C(N)=O | KLAAALLKKWKKLAAALL | 85.283804 | 73.457941 | 30.797693 | 119.108578 | 101.315909 | 45.8358 | 2.598989 | 1.757529 | 1.149302 | 0.304145 | 2.132511 |
C[C@@H](O)[C@H](NC(O)C(CC1CNCN1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C=O)CS | CPHTQFWQC | 20.383714 | 18.934724 | 13.130935 | 17.4396 | 16.338775 | 11.485524 | 1.439494 | 1.131919 | 1.042826 | 0.684218 | 2.128291 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CC1CNCN1)C(O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(N)=O)[C@@H](C)CC | GIGASILSAGKSALKGLAKGLAEHFAN | 171.98182 | 164.511221 | 37.284782 | 183.28293 | 175.882635 | 49.787128 | 3.020947 | 1.421312 | 1.531397 | 0.243399 | 2.201479 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C | GILDSFKQFAKGVGKDLIKGAAQGVLSTMSCKLAKTC | 541.410252 | 520.684792 | 61.979717 | 538.431855 | 515.588677 | 70.178675 | 4.417362 | 1.823595 | 1.204952 | 0.107928 | 2.173595 |
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC3=O)C(=O)N2 | CTPAGGACDATTECCILFCNLATKKCQVPTFP | 176.126165 | 153.036745 | 88.380952 | 157.590036 | 138.8831 | 88.121813 | 3.030128 | 2.166173 | 1.666362 | 0.4754 | 2.927664 |
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O | FALALKALKKLLKKLKKLAKKAL | 218.981712 | 216.224996 | 31.422965 | 276.636295 | 275.236437 | 55.892349 | 3.639149 | 1.431132 | 1.472478 | 0.188855 | 2.185572 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCSC)C(C)C)[C@@H](C)O | DADSSIEKQVALLKALYGHGQISHKRHKTDSFVGLM | 943.94687 | 939.59095 | 51.359102 | 852.091999 | 850.65808 | 56.65042 | 6.2764 | 1.553779 | 1.510092 | 0.074925 | 2.172179 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC=O)C(C)C)C(C)C)C(C)C)[C@@H](C)CC | GLFDIIKKVASVVGG | 46.467062 | 44.96468 | 13.26517 | 48.983018 | 45.851714 | 20.512631 | 2.111773 | 1.165448 | 0.923217 | 0.342335 | 1.947659 |
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)NC(CO)CC1CNCN1 | EPFKLSLH | 22.215736 | 20.09299 | 9.457705 | 28.121107 | 23.955451 | 11.481801 | 1.80291 | 1.370116 | 1.044195 | 0.422607 | 1.79054 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(N)=O | NFLGTLINLAKKIM | 49.652079 | 48.680242 | 15.927859 | 58.93474 | 56.051821 | 22.83167 | 2.298615 | 1.32455 | 1.156756 | 0.391869 | 2.065901 |
N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)CC(=O)O | DDDDDD | 21.122319 | 20.403021 | 5.274981 | 12.009023 | 11.649264 | 2.325287 | 1.915061 | 0.966965 | 0.87524 | 0.281533 | 1.572833 |
C.C.C.C.CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C=O)CCCC[NH3+].CNC=C(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O | ILPWKWPLWPWRR | 62.598652 | 50.694391 | 29.80234 | 70.665403 | 59.10865 | 33.903266 | 2.184967 | 1.58728 | 1.163919 | 0.381908 | 2.098743 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS)C(C)C | CGYSFTDYVLIWVKQSC | 65.277032 | 53.318869 | 42.56912 | 56.612041 | 47.063744 | 37.761453 | 1.991852 | 1.890384 | 1.449383 | 0.556804 | 2.481221 |
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC | TDVILMCFSIDSPDSLANI | 100.074494 | 99.237289 | 24.233436 | 104.743891 | 99.989927 | 26.973663 | 2.697081 | 1.271771 | 1.298846 | 0.311604 | 2.24243 |
CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])[C@@H](C)O | VTR | 3.760686 | 3.156015 | 1.222684 | 5.057601 | 4.128624 | 1.69743 | 1.035547 | 0.633099 | 0.358032 | 0.229322 | 0.973348 |
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C | FLPLLASLVGGLL | 24.660121 | 19.942463 | 16.418435 | 31.652463 | 25.747993 | 23.408339 | 1.428798 | 1.464638 | 1.115077 | 0.579626 | 1.991455 |
CSCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | ERGMT | 14.248423 | 11.419557 | 4.193459 | 12.764334 | 9.315825 | 4.435972 | 1.598729 | 1.181595 | 0.440084 | 0.134758 | 0.984914 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)C(C)C | RWKVFKKIEKMGRNIRDGIVKAGPAIEVLGSAKALGK | 453.940266 | 330.133153 | 172.30678 | 467.687472 | 352.846606 | 181.356012 | 3.669794 | 3.215498 | 1.741142 | 0.151797 | 2.205982 |
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(O)C(CC1CNCN1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC | FDIVKKIAGHIAGSI | 41.119111 | 37.599219 | 17.941003 | 51.844105 | 48.277969 | 23.976184 | 1.938122 | 1.226396 | 1.172791 | 0.451394 | 2.022547 |
CC(C)C[C@@H](C=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)N)C(C)C | AGFAAQAAASLAPVAAQQL | 82.205835 | 78.032213 | 17.63974 | 83.159083 | 77.648201 | 22.795734 | 2.494522 | 1.394847 | 1.011775 | 0.226575 | 1.860592 |
CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C=O)CCC(=O)O | YVE | 4.040407 | 2.782512 | 1.717087 | 3.831863 | 2.490414 | 1.741597 | 1.030529 | 0.749707 | 0.323644 | 0.162349 | 0.720677 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(O)C(CC1CNCN1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)[C@@H](C)O | AKKELCTCQQPKHLKYIEKGLQKAKDYAT | 397.55134 | 361.217256 | 71.795231 | 388.248619 | 344.817676 | 88.540847 | 4.041218 | 2.303194 | 1.238777 | 0.126668 | 2.148393 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@H](C=O)CC(C)C | FLPVILPVIGKLLSGIL | 69.103903 | 62.482646 | 22.481637 | 81.158452 | 75.27087 | 32.58462 | 2.672006 | 1.414078 | 1.163466 | 0.312185 | 2.027767 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)Cc1ccccc1 | RFWKVRVKYIRF | 98.381258 | 92.318526 | 18.69934 | 104.158213 | 96.616539 | 23.050609 | 2.920517 | 1.440909 | 1.015338 | 0.181225 | 1.82653 |
NC(=O)CC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C=O)CS | CQWPGQSGC | 15.404777 | 13.59764 | 9.536071 | 11.960492 | 10.179734 | 8.018743 | 1.542091 | 1.094286 | 0.922009 | 0.581427 | 1.87741 |
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C=O | WYSLAMA | 16.988128 | 13.88052 | 5.75094 | 16.316514 | 13.039102 | 5.94843 | 1.617792 | 1.109939 | 0.624077 | 0.209853 | 1.205628 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C=O)C(C)C)[C@@H](C)CC)C(C)C)C(C)C | RIVRVRIARLQV | 54.472035 | 49.699633 | 20.351372 | 63.276124 | 59.83489 | 28.635989 | 2.44306 | 1.351833 | 1.130478 | 0.385678 | 2.131844 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N3)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | DECFSPGTFCGTKPGLCCSARCFSFFCISLEF | 163.983782 | 135.668448 | 107.706551 | 147.732294 | 117.292684 | 99.577176 | 2.645016 | 2.347788 | 1.807345 | 0.592355 | 3.308485 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C=O)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)CC | FNRGGYNFGKSVRHVVDAIGSVAGIRGILKSIR | 471.53237 | 430.808894 | 86.400388 | 448.049251 | 408.245026 | 83.004092 | 4.440526 | 2.112855 | 1.49694 | 0.13772 | 2.379792 |
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NC(CC1CNCN1)C(O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] | APNVKDSKASGSCCDNPSCAVNNRHCGRRR | 141.10421 | 126.707521 | 76.287696 | 141.012852 | 122.464467 | 74.092399 | 2.622767 | 2.000092 | 1.564341 | 0.514863 | 2.841708 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CS)[C@@H](C)O | GFMDTAKNVAKNVAVTLLDNLRCKITKAC | 298.618966 | 266.101791 | 63.1835 | 294.367109 | 262.277933 | 72.566591 | 3.268209 | 2.178635 | 1.128657 | 0.153515 | 2.152055 |
CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CS)C(=O)NC(CO)CC1CNCN1 | GGASCCLYCRCH | 22.336596 | 20.602306 | 16.123436 | 21.129972 | 17.084584 | 16.175669 | 1.368246 | 1.260761 | 1.051227 | 0.680446 | 2.181712 |
NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC=O | QQQG | 5.944687 | 4.041356 | 2.429614 | 5.221045 | 3.640906 | 2.039408 | 1.090752 | 1.013528 | 0.316018 | 0.124675 | 0.712428 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(C)C | CDVIALL | 13.51146 | 11.583356 | 5.002291 | 14.152424 | 10.549513 | 8.048203 | 1.660467 | 1.063955 | 0.778588 | 0.326387 | 1.327443 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(O)C(CC1CNCN1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO | CTQTNGACYHRDTCCSKSCNLTINRCLAS | 163.437214 | 129.125808 | 71.390143 | 143.666633 | 115.414564 | 67.344316 | 2.569745 | 2.08407 | 1.157309 | 0.310279 | 2.255012 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C=O | PQNILP | 7.448243 | 6.741523 | 4.34422 | 10.248942 | 8.819061 | 5.704177 | 1.254682 | 1.018236 | 0.733693 | 0.585563 | 1.607912 |
CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C=O)C(C)C | FFGVRCVSP | 14.679349 | 13.122141 | 10.992918 | 15.350245 | 13.090695 | 11.634436 | 1.318484 | 1.176643 | 1.00713 | 0.685375 | 1.95212 |
CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)[C@@H](C)O)[C@@H](C)CC | IIPLPLGYFAKKT | 31.055582 | 25.210411 | 20.286303 | 42.66653 | 34.804725 | 27.041191 | 1.76116 | 1.530523 | 1.192426 | 0.563424 | 2.114541 |
CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)N[C@H](C=O)Cc1ccc(O)cc1 | WVPSVY | 9.792194 | 7.034732 | 6.809522 | 8.599871 | 7.141916 | 6.693278 | 1.171267 | 1.223983 | 0.73997 | 0.51885 | 1.572368 |
CC[C@H](C)[C@H](NC(O)C(CC1CNCN1)NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C=O | VHIPP | 10.624654 | 9.996962 | 2.226636 | 13.150492 | 12.641021 | 3.713682 | 1.636591 | 0.762034 | 0.683188 | 0.219146 | 1.035987 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O | TWQEWERKVDFLEENITALLEEAQIQQEKNMYELQ | 886.26363 | 875.616597 | 50.267123 | 733.749912 | 725.074293 | 50.420173 | 5.484618 | 1.350175 | 1.181081 | 0.065307 | 1.977514 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O | ILPWKLPWWPWRR | 96.888137 | 91.04255 | 20.732806 | 96.316479 | 89.37841 | 23.912826 | 2.713397 | 1.237903 | 1.034714 | 0.218348 | 1.913643 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C=O)CC(N)=O | DARDAMDRIFARRYN | 67.147143 | 58.872457 | 23.448734 | 61.374311 | 53.817603 | 25.191015 | 2.155973 | 1.432377 | 0.987995 | 0.310205 | 1.966349 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C=O)CCCC[NH3+])[C@@H](C)CC)[C@@H](C)CC | KIFGAIWPLALGALKNLIK | 108.379359 | 102.228752 | 21.894299 | 126.646964 | 117.778396 | 31.531111 | 2.877561 | 1.426032 | 1.168034 | 0.208674 | 1.805879 |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C=O)Cc1ccc(O)cc1 | ADVPGNYPLDKNGNRYY | 74.124236 | 65.804195 | 29.562889 | 64.994795 | 58.49388 | 27.072163 | 2.26791 | 1.497063 | 1.218555 | 0.37409 | 2.172852 |
CC(C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC=O)C(C)C | TVWNPVG | 17.758144 | 16.326928 | 4.078037 | 19.567682 | 18.351639 | 4.649495 | 1.831112 | 0.885522 | 0.655898 | 0.209322 | 1.253512 |
CC(C)C[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C=O)CCCC[NH3+] | LKLLKKLLKLLKKLGGGK | 110.58736 | 99.711959 | 26.921746 | 152.688328 | 137.31168 | 45.635961 | 3.289329 | 1.729021 | 1.223951 | 0.209162 | 1.829335 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@H](C=O)CS | GCCSNPACMVNNPQIC | 52.221572 | 44.328312 | 18.91087 | 44.169264 | 39.250959 | 16.948591 | 2.003356 | 1.359844 | 0.960946 | 0.298329 | 1.735168 |
C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CS)C(=O)N[C@H](C=O)CS | CREAGRKAC | 17.371447 | 16.552838 | 8.370167 | 17.698246 | 17.062493 | 9.890515 | 1.70282 | 0.93877 | 0.984833 | 0.54552 | 1.850189 |
NC(=O)CC[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1 | PNNKPFQ | 24.724906 | 22.026382 | 5.793773 | 24.024827 | 21.027158 | 6.508946 | 1.90088 | 1.182251 | 0.684799 | 0.175025 | 1.207181 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])C(C)C | TLISWIKNKRKQCRPRVSRRRRRRGGRRRR | 434.568626 | 406.902488 | 164.7718 | 476.523862 | 442.125196 | 195.331139 | 4.158075 | 2.289812 | 2.380246 | 0.405838 | 3.924576 |
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(CC1CNCN1)C(O)N[C@H](C=O)CC(N)=O | SPYPMALFPLHN | 37.522975 | 28.864313 | 17.66155 | 39.429644 | 31.712013 | 18.448329 | 1.661508 | 1.347391 | 0.856138 | 0.33457 | 1.774561 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC | DIIIIVGG | 10.123849 | 9.407244 | 5.487332 | 11.383808 | 10.184432 | 9.673336 | 1.274434 | 1.001221 | 0.885476 | 0.593609 | 1.69828 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC1CNCN1)C(O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C=O)CO)[C@@H](C)CC)C(C)C | GIGKWLHSAKKFGKAFVGEIMNS | 108.30587 | 98.309558 | 45.946254 | 114.202066 | 103.466803 | 50.635092 | 2.402845 | 1.710771 | 1.40641 | 0.425329 | 2.56451 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] | VRLIVRIWRR | 36.108197 | 24.411834 | 21.038408 | 48.732265 | 33.296534 | 28.754004 | 1.779994 | 1.841225 | 0.954741 | 0.347331 | 1.746251 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C=O)C(C)C)[C@@H](C)O | CRLGAESCDVISQNCCQGTCVFFCLP | 126.183788 | 101.272533 | 58.2529 | 106.445379 | 86.826881 | 53.688861 | 2.434618 | 1.729455 | 1.223429 | 0.34265 | 2.225328 |
N[C@@H](CS)C(=O)N[C@H](C=O)Cc1ccccc1 | CF | 2.79223 | 2.595403 | 0.342731 | 2.239583 | 2.151129 | 0.198374 | 1.133069 | 0.44196 | 0.19818 | 0.087592 | 0.545192 |
CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C | LNLKGLFKKVASLLT | 64.646535 | 60.468011 | 17.71639 | 83.513214 | 82.900662 | 25.560609 | 2.556474 | 1.254074 | 1.072847 | 0.293883 | 1.918106 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC | VVTTRLFMSLVASVRNAFQSGYISFDEIIKTE | 321.175947 | 253.971372 | 112.781123 | 311.21688 | 255.434543 | 100.925493 | 3.811587 | 2.628083 | 1.647309 | 0.197412 | 2.210254 |
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(C)C | CIEQFDPCDMIRHTCCVGVCFLMACI | 142.591362 | 119.857302 | 60.451977 | 124.674864 | 105.30549 | 59.966472 | 2.682675 | 1.820254 | 1.310742 | 0.336677 | 2.260646 |