A0A5K4FE28_SCHMA Loading...

Polysacc_synt_4 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.1Very low49.8Very low236 Ų236137.7 Ų137.7100%1.16373%0.733SS**  0110.80-70.8-178.5-159.300107.7
2I46Very low51.6Low176 Ų176132.7 Ų132.790%0.90371%0.707SS**  trans-111.676.4160.5-70.5170.6000102.4
3S46.9Very low53.6Low85 Ų85129.2 Ų129.259%0.59470%0.696SS**  47.972.184.2-1590000113.6D5S3-D5 PolarHBondContact O-N 3.26Å
4S46.9Very low55.7Low107 Ų107126.8 Ų126.875%0.74868%0.683SS**SBend47.652.9123.8-330000120.7
5D51.1Low57.3Low76 Ų76124.9 Ų124.941%0.40667%0.671SS.*  trans-127.16.2163.4-84-57.3000114.4S3 E7 K8S3-D5 PolarHBondContact O-N 3.26Å; D5-E7 VanDerWaalsContact C-N 3.26Å; D5-E7 PolarHBondContact O-N 2.7Å; D5-K8 PolarHBondContact O-N 3.32Å; D5-K8 VanDerWaalsContact O-N 3.16Å; D5-K8 VanDerWaalsContact OD1-CD 3.23Å; D5-K8 WeakPolarHBondContact OD1-CD 3.23Å; D5-K8 WeakPolarHBondContact OD1-CE 3.34Å; D5-K8 WeakPolarHBondContact OD1-CG 3.41Å; D5-K8 IonicContact OD1-NZ 2.7Å; D5-K8 PolarHBondContact OD1-NZ 2.96Å
6A52.2Low58.9Low90 Ų90123.1 Ų123.174%0.74466%0.657SS**G310 helixtrans-64-34.6172.700000111.8K8 Y9A6-K8 VanDerWaalsContact C-N 3.31Å; A6-K8 PolarHBondContact O-N 3.19Å; A6-Y9 PolarHBondContact O-N 3.39Å
7E49.8Very low60.6Low170 Ų170121.4 Ų121.479%0.79465%0.647SS**G310 helixtrans-75.6-16.5176.1-64.3-173.110800113.2D5 Y9 V10D5-E7 VanDerWaalsContact C-N 3.26Å; D5-E7 PolarHBondContact O-N 2.7Å; E7-Y9 VanDerWaalsContact C-N 3.28Å; E7-V10 WeakPolarHBondContact O-CG2 3.45Å; E7-V10 PolarHBondContact O-N 3.39Å; E7-V10 VanDerWaalsContact O-N 3.16Å
8K49.3Very low62.1Low161 Ų161120.5 Ų120.570%0.764%0.638SS**G310 helixtrans-76.2-17.7173-81-149.9-163.9108.10113.1D5 A6 V10D5-K8 PolarHBondContact O-N 3.32Å; D5-K8 VanDerWaalsContact O-N 3.16Å; D5-K8 VanDerWaalsContact OD1-CD 3.23Å; D5-K8 WeakPolarHBondContact OD1-CD 3.23Å; D5-K8 WeakPolarHBondContact OD1-CE 3.34Å; D5-K8 WeakPolarHBondContact OD1-CG 3.41Å; D5-K8 IonicContact OD1-NZ 2.7Å; D5-K8 PolarHBondContact OD1-NZ 2.96Å; A6-K8 VanDerWaalsContact C-N 3.31Å; A6-K8 PolarHBondContact O-N 3.19Å; K8-V10 PolarHBondContact O-N 3.48Å
9Y51.7Low63.4Low196 Ų196119.9 Ų119.977%0.76963%0.626SS**SBendtrans-76.944.6158.8-68.4-90.6000109.9A6 E7 N11A6-Y9 PolarHBondContact O-N 3.39Å; E7-Y9 VanDerWaalsContact C-N 3.28Å; Y9-N11 PolarHBondContact O-N 3.46Å
10V53.7Low64.7Low114 Ų114117 Ų11769%0.69162%0.621SS**  trans-46.8119.8159.4171.80000104.8E7 K8 D12E7-V10 WeakPolarHBondContact O-CG2 3.45Å; E7-V10 PolarHBondContact O-N 3.39Å; E7-V10 VanDerWaalsContact O-N 3.16Å; K8-V10 PolarHBondContact O-N 3.48Å; V10-D12 VanDerWaalsContact C-N 3.28Å; V10-D12 PolarHBondContact O-N 3.16Å
11N58.9Low66Low104 Ų104115.6 Ų115.656%0.55661%0.61SS**  trans-54.491.4-175.3-154.30.1000109.3Y9 P13 E16Y9-N11 PolarHBondContact O-N 3.46Å; N11-P13 WeakPolarHBondContact O-CD 3.36Å; N11-E16 VanDerWaalsContact CG-CD 3.41Å; N11-E16 VanDerWaalsContact CG-OE1 3.25Å; N11-E16 PolarHBondContact ND2-OE1 3.3Å; N11-E16 WeakPolarHBondContact OD1-CG 3.5Å; N11-E16 PolarHBondContact OD1-OE1 3.19Å; N11-E16 VanDerWaalsContact OD1-OE1 3.09Å
12D71.3Confident68.4Low77 Ų77108.1 Ų108.141%0.41257%0.573SS.*  trans-75.1119.4-176.2-175.1-48.1000106.6V10 N14 I15 E16V10-D12 VanDerWaalsContact C-N 3.28Å; V10-D12 PolarHBondContact O-N 3.16Å; D12-N14 PolarHBondContact O-N 3.21Å; D12-N14 WeakPolarHBondContact OD1-CA 3.45Å; D12-N14 WeakPolarHBondContact OD1-CB 3.4Å; D12-N14 PolarHBondContact OD1-N 3.44Å; D12-I15 HydrophobicContact CB-CB 4.18Å; D12-I15 HydrophobicContact CB-CD1 3.79Å; D12-I15 HydrophobicContact CB-CG1 3.84Å; D12-I15 WeakPolarHBondContact O-CA 3.41Å; D12-I15 WeakPolarHBondContact O-CB 3.11Å; D12-I15 PolarHBondContact O-N 2.61Å; D12-E16 PolarHBondContact O-N 3.03Å; D12-E16 VanDerWaalsContact O-N 3.07Å
13P78.1Confident70.7Confident87 Ų87100 Ų10057%0.56553%0.531SS*.Hα-helixtrans-55.2-30.7-177.6-26.434.8000113N11 E16 I17N11-P13 WeakPolarHBondContact O-CD 3.36Å; P13-E16 PolarHBondContact O-N 3.19Å; P13-I17 WeakPolarHBondContact O-CD1 3.39Å; P13-I17 WeakPolarHBondContact O-CG1 3.23Å; P13-I17 PolarHBondContact O-N 3.19Å
14N82.9Confident72.9Confident96 Ų96102 Ų10251%0.51353%0.529SS..Hα-helixtrans-70.4-35.1176.8-17560000111.8D12 Q18D12-N14 PolarHBondContact O-N 3.21Å; D12-N14 WeakPolarHBondContact OD1-CA 3.45Å; D12-N14 WeakPolarHBondContact OD1-CB 3.4Å; D12-N14 PolarHBondContact OD1-N 3.44Å; N14-Q18 WeakPolarHBondContact O-CB 3.48Å; N14-Q18 WeakPolarHBondContact O-CG 3.02Å; N14-Q18 PolarHBondContact O-N 2.92Å
15I80.3Confident75.2Confident98 Ų98102.7 Ų102.750%0.50352%0.515SS..Hα-helixtrans-66.2-45.4173.1-63.8176.9000109.7D12 I17 Q18 W19D12-I15 HydrophobicContact CB-CB 4.18Å; D12-I15 HydrophobicContact CB-CD1 3.79Å; D12-I15 HydrophobicContact CB-CG1 3.84Å; D12-I15 WeakPolarHBondContact O-CA 3.41Å; D12-I15 WeakPolarHBondContact O-CB 3.11Å; D12-I15 PolarHBondContact O-N 2.61Å; I15-I17 VanDerWaalsContact C-N 3.33Å; I15-I17 PolarHBondContact O-N 3.46Å; I15-Q18 PolarHBondContact O-N 3.35Å; I15-W19 WeakPolarHBondContact O-CB 3.4Å; I15-W19 PolarHBondContact O-N 3.47Å
16E82.4Confident77.3Confident97 Ų97100.8 Ų100.845%0.45350%0.504SS..Hα-helixtrans-60-42.3177.1-68.2-172.112100112.1N11 D12 P13 W19 A20N11-E16 VanDerWaalsContact CG-CD 3.41Å; N11-E16 VanDerWaalsContact CG-OE1 3.25Å; N11-E16 PolarHBondContact ND2-OE1 3.3Å; N11-E16 WeakPolarHBondContact OD1-CG 3.5Å; N11-E16 PolarHBondContact OD1-OE1 3.19Å; N11-E16 VanDerWaalsContact OD1-OE1 3.09Å; D12-E16 PolarHBondContact O-N 3.03Å; D12-E16 VanDerWaalsContact O-N 3.07Å; P13-E16 PolarHBondContact O-N 3.19Å; E16-W19 PolarHBondContact O-N 3.02Å; E16-A20 WeakPolarHBondContact O-CB 3.32Å; E16-A20 PolarHBondContact O-N 3.07Å
17I87.1Confident79.4Confident93 Ų9396.6 Ų96.648%0.47747%0.469SS..Hα-helixtrans-61.9-50.3175.8-69.5163.5000110.6P13 I15 W19 A20 E21P13-I17 WeakPolarHBondContact O-CD1 3.39Å; P13-I17 WeakPolarHBondContact O-CG1 3.23Å; P13-I17 PolarHBondContact O-N 3.19Å; I15-I17 VanDerWaalsContact C-N 3.33Å; I15-I17 PolarHBondContact O-N 3.46Å; I17-W19 PolarHBondContact O-N 3.16Å; I17-A20 PolarHBondContact O-N 3.28Å; I17-E21 HydrophobicContact CG2-CG 4.36Å; I17-E21 WeakPolarHBondContact O-CB 3.41Å; I17-E21 WeakPolarHBondContact O-CG 3.44Å; I17-E21 PolarHBondContact O-N 2.89Å
18Q87.5Confident81.6Confident106 Ų10692 Ų9250%0.49545%0.448SS..Hα-helixtrans-57.9-39.9178-70.9-94.8-7.600111.8N14 I15 H22N14-Q18 WeakPolarHBondContact O-CB 3.48Å; N14-Q18 WeakPolarHBondContact O-CG 3.02Å; N14-Q18 PolarHBondContact O-N 2.92Å; I15-Q18 PolarHBondContact O-N 3.35Å; Q18-H22 WeakPolarHBondContact O-CB 3.5Å; Q18-H22 PolarHBondContact O-N 3.05Å
19W87Confident83.8Confident109 Ų10987.1 Ų87.141%0.41344%0.438SS..Hα-helixtrans-69-44.8179-136.970000111.9I15 E16 I17 H22 C23 G99 I117I15-W19 WeakPolarHBondContact O-CB 3.4Å; I15-W19 PolarHBondContact O-N 3.47Å; E16-W19 PolarHBondContact O-N 3.02Å; I17-W19 PolarHBondContact O-N 3.16Å; W19-H22 PolarHBondContact O-N 3.21Å; W19-C23 WeakPolarHBondContact O-CB 3.33Å; W19-C23 PolarHBondContact O-N 2.97Å; W19-C23 PolarHBondContact O-SG 3.12Å; W19-G99 VanDerWaalsContact CH2-N 3.3Å; W19-I117 HydrophobicContact CZ3-CG2 4.19Å
20A89.2Confident85.9Confident62 Ų6278.4 Ų78.451%0.51240%0.404SS..Hα-helixtrans-61.4-44.7175.500000111.3E16 I17 C23 F24E16-A20 WeakPolarHBondContact O-CB 3.32Å; E16-A20 PolarHBondContact O-N 3.07Å; I17-A20 PolarHBondContact O-N 3.28Å; A20-C23 PolarHBondContact O-N 2.85Å; A20-F24 WeakPolarHBondContact O-CB 3.49Å; A20-F24 PolarHBondContact O-N 2.8Å
21E91.7Very high88Confident87 Ų8774 Ų7441%0.40738%0.375SS..Hα-helixtrans-62-42.6174.9-74.6-174.3-178.800112.5I17 F24 R25I17-E21 HydrophobicContact CG2-CG 4.36Å; I17-E21 WeakPolarHBondContact O-CB 3.41Å; I17-E21 WeakPolarHBondContact O-CG 3.44Å; I17-E21 PolarHBondContact O-N 2.89Å; E21-F24 PolarHBondContact O-N 2.73Å; E21-R25 WeakPolarHBondContact O-CB 3.41Å; E21-R25 WeakPolarHBondContact O-CG 3.49Å; E21-R25 PolarHBondContact O-N 3.49Å; E21-R25 IonicContact OE2-CZ 3.17Å; E21-R25 IonicContact OE2-NH1 2.67Å; E21-R25 PolarHBondContact OE2-NH1 2.94Å; E21-R25 IonicContact OE2-NH2 2.8Å
22H92.6Very high89.7Confident80 Ų8075.1 Ų75.137%0.3737%0.372SS..Hα-helixtrans-61.1-49.1176.2177.890.2000111.2Q18 W19 F24 R25 H26Q18-H22 WeakPolarHBondContact O-CB 3.5Å; Q18-H22 PolarHBondContact O-N 3.05Å; W19-H22 PolarHBondContact O-N 3.21Å; H22-F24 VanDerWaalsContact C-N 3.32Å; H22-F24 PolarHBondContact O-N 3.14Å; H22-R25 PolarHBondContact O-N 3.44Å; H22-H26 WeakPolarHBondContact O-CB 3.33Å; H22-H26 PolarHBondContact O-N 3.04Å
23C94Very high90.8Very high4 Ų474.9 Ų74.93%0.02737%0.37CS..Hα-helixtrans-57.8-44.3177.6-74.20000111.7W19 A20 A27 G99 L101W19-C23 WeakPolarHBondContact O-CB 3.33Å; W19-C23 PolarHBondContact O-N 2.97Å; W19-C23 PolarHBondContact O-SG 3.12Å; A20-C23 PolarHBondContact O-N 2.85Å; C23-A27 WeakPolarHBondContact O-CB 3.25Å; C23-A27 PolarHBondContact O-N 3.42Å; C23-G99 PolarHBondContact SG-O 3.12Å; C23-G99 VanDerWaalsContact SG-O 3.4Å; C23-L101 HydrophobicContact CB-CD1 4.33Å; C23-L101 HydrophobicContact CB-CD2 4.18Å; C23-L101 HydrophobicContact CB-CG 3.92Å
24F93.2Very high91.6Very high127 Ų12770.8 Ų70.856%0.55734%0.343SS*.Hα-helixtrans-65.2-47.8177.7-177.6-95.9000112.3A20 E21 H22 H26 A27 E28A20-F24 WeakPolarHBondContact O-CB 3.49Å; A20-F24 PolarHBondContact O-N 2.8Å; E21-F24 PolarHBondContact O-N 2.73Å; H22-F24 VanDerWaalsContact C-N 3.32Å; H22-F24 PolarHBondContact O-N 3.14Å; F24-H26 VanDerWaalsContact C-N 3.3Å; F24-H26 PolarHBondContact O-N 2.93Å; F24-A27 WeakPolarHBondContact O-CB 3.41Å; F24-A27 PolarHBondContact O-N 3.34Å; F24-E28 WeakPolarHBondContact O-CB 3.35Å; F24-E28 PolarHBondContact O-N 3.35Å
25R95.1Very high92.2Very high122 Ų12266.3 Ų66.346%0.4632%0.32SS..Hα-helixtrans-59.6-41.9177.2-75.9-172.8-65.4-102.4-1.1111.8E21 H22 A29E21-R25 WeakPolarHBondContact O-CB 3.41Å; E21-R25 WeakPolarHBondContact O-CG 3.49Å; E21-R25 PolarHBondContact O-N 3.49Å; E21-R25 IonicContact OE2-CZ 3.17Å; E21-R25 IonicContact OE2-NH1 2.67Å; E21-R25 PolarHBondContact OE2-NH1 2.94Å; E21-R25 IonicContact OE2-NH2 2.8Å; H22-R25 PolarHBondContact O-N 3.44Å; R25-A29 VanDerWaalsContact O-CB 3.28Å; R25-A29 WeakPolarHBondContact O-CB 3.23Å; R25-A29 PolarHBondContact O-N 3.4Å
26H95.9Very high92.7Very high36 Ų3666.2 Ų66.217%0.16733%0.328CS..Hα-helixtrans-60.9-48.5175175.2-80.4000111.5H22 F24 E28 A29 Y30 T100 F123H22-H26 WeakPolarHBondContact O-CB 3.33Å; H22-H26 PolarHBondContact O-N 3.04Å; F24-H26 VanDerWaalsContact C-N 3.3Å; F24-H26 PolarHBondContact O-N 2.93Å; H26-E28 PolarHBondContact O-N 3.17Å; H26-A29 PolarHBondContact O-N 2.88Å; H26-Y30 VanDerWaalsContact O-CB 3.29Å; H26-Y30 WeakPolarHBondContact O-CB 3.33Å; H26-Y30 PolarHBondContact O-N 2.95Å; H26-T100 WeakPolarHBondContact CE1-CG2 3.28Å; H26-T100 WeakPolarHBondContact ND1-CG2 3.49Å; H26-F123 AromaticContact CE1-CD1 3.92Å; H26-F123 AromaticContact CE1-CE1 3.47Å; H26-F123 VanDerWaalsContact CE1-CE1 3.47Å; H26-F123 WeakPolarHBondContact CE1-CE1 3.48Å; H26-F123 AromaticContact CE1-CE2 3.98Å; H26-F123 AromaticContact CE1-CZ 3.5Å; H26-F123 VanDerWaalsContact CE1-CZ 3.5Å; H26-F123 WeakPolarHBondContact CE1-CZ 3.46Å; H26-F123 AromaticContact NE2-CE1 3.95Å
27A96.6Very high93.3Very high2 Ų263 Ų632%0.01732%0.315CS..Hα-helixtrans-59.3-46179.400000112.1C23 F24 Y30 F31 L101 Y110C23-A27 WeakPolarHBondContact O-CB 3.25Å; C23-A27 PolarHBondContact O-N 3.42Å; F24-A27 WeakPolarHBondContact O-CB 3.41Å; F24-A27 PolarHBondContact O-N 3.34Å; A27-Y30 PolarHBondContact O-N 2.86Å; A27-F31 VanDerWaalsContact O-CB 3.32Å; A27-F31 WeakPolarHBondContact O-CB 3.48Å; A27-F31 PolarHBondContact O-N 2.62Å; A27-L101 HydrophobicContact CB-CB 3.98Å; A27-L101 HydrophobicContact CB-CD1 3.87Å; A27-L101 HydrophobicContact CB-CG 4.35Å; A27-Y110 HydrophobicContact CB-CD1 3.99Å; A27-Y110 HydrophobicContact CB-CD2 3.91Å; A27-Y110 HydrophobicContact CB-CE1 3.88Å; A27-Y110 HydrophobicContact CB-CE2 3.79Å; A27-Y110 HydrophobicContact CB-CG 3.99Å; A27-Y110 VanDerWaalsContact O-CE2 3.31Å; A27-Y110 WeakPolarHBondContact O-CE2 3.34Å
28E94.9Very high93.6Very high74 Ų7464.3 Ų64.335%0.34633%0.332SS..Hα-helixtrans-63.3-48.2178.3-168.9-168.6-134.200111.6F24 H26 Y30 F31 R32F24-E28 WeakPolarHBondContact O-CB 3.35Å; F24-E28 PolarHBondContact O-N 3.35Å; H26-E28 PolarHBondContact O-N 3.17Å; E28-Y30 VanDerWaalsContact C-N 3.33Å; E28-Y30 PolarHBondContact O-N 3.5Å; E28-F31 PolarHBondContact O-N 3.1Å; E28-R32 WeakPolarHBondContact O-CB 3.45Å; E28-R32 WeakPolarHBondContact O-CG 3.37Å; E28-R32 PolarHBondContact O-N 2.91Å; E28-R32 IonicContact OE1-CZ 2.71Å; E28-R32 IonicContact OE1-NH1 2.73Å; E28-R32 IonicContact OE1-NH2 3.6Å; E28-R32 PolarHBondContact OE1-NH2 3.11Å; E28-R32 IonicContact OE2-CZ 3.44Å; E28-R32 IonicContact OE2-NH1 3.37Å; E28-R32 PolarHBondContact OE2-NH1 3.39Å; E28-R32 IonicContact OE2-NH2 2.8Å; E28-R32 PolarHBondContact OE2-NH2 2.91Å
29A95.9Very high93.9Very high59 Ų5961.8 Ų61.849%0.48832%0.322SS..Hα-helixtrans-61.1-43.5178.700000111.7R25 H26 L33R25-A29 VanDerWaalsContact O-CB 3.28Å; R25-A29 WeakPolarHBondContact O-CB 3.23Å; R25-A29 PolarHBondContact O-N 3.4Å; H26-A29 PolarHBondContact O-N 2.88Å; A29-L33 WeakPolarHBondContact O-CB 3.18Å; A29-L33 PolarHBondContact O-N 3.41Å
30Y96.7Very high94.4Very high12 Ų1257 Ų575%0.04731%0.305CS..Hα-helixtrans-68.5-40.8178.4-180-106.4000112.5H26 A27 E28 L33 L34 L45 F123 E127 N131H26-Y30 VanDerWaalsContact O-CB 3.29Å; H26-Y30 WeakPolarHBondContact O-CB 3.33Å; H26-Y30 PolarHBondContact O-N 2.95Å; A27-Y30 PolarHBondContact O-N 2.86Å; E28-Y30 VanDerWaalsContact C-N 3.33Å; E28-Y30 PolarHBondContact O-N 3.5Å; Y30-L33 WeakPolarHBondContact O-CB 3.34Å; Y30-L33 PolarHBondContact O-N 3.24Å; Y30-L34 HydrophobicContact CD1-CD1 3.99Å; Y30-L34 HydrophobicContact CD1-CG 4.3Å; Y30-L34 HydrophobicContact CE1-CD1 3.3Å; Y30-L34 HydrophobicContact CE1-CD2 4.43Å; Y30-L34 HydrophobicContact CE1-CG 3.75Å; Y30-L34 HydrophobicContact CE2-CD2 4.41Å; Y30-L34 HydrophobicContact CE2-CG 4.17Å; Y30-L34 PolarHBondContact O-N 2.98Å; Y30-L34 WeakPolarHBondContact OH-CD2 3.38Å; Y30-L45 HydrophobicContact CD2-CD2 4.46Å; Y30-L45 HydrophobicContact CE2-CD1 3.9Å; Y30-L45 HydrophobicContact CE2-CD2 3.88Å; Y30-F123 HydrophobicContact CD1-CE2 4Å; Y30-F123 AromaticContact CD1-CZ 3.5Å; Y30-F123 HydrophobicContact CD1-CZ 3.5Å; Y30-F123 VanDerWaalsContact CD1-CZ 3.5Å; Y30-F123 HydrophobicContact CD2-CE1 4.45Å; Y30-F123 AromaticContact CD2-CZ 3.96Å; Y30-F123 HydrophobicContact CD2-CZ 3.96Å; Y30-F123 HydrophobicContact CE1-CE2 4.09Å; Y30-F123 AromaticContact CE1-CZ 3.61Å; Y30-F123 HydrophobicContact CE1-CZ 3.61Å; Y30-F123 HydrophobicContact CE2-CZ 4.12Å; Y30-F123 AromaticContact CG-CZ 3.66Å; Y30-F123 HydrophobicContact CG-CZ 3.66Å; Y30-F123 AromaticContact CZ-CZ 3.95Å; Y30-E127 HydrophobicContact CE1-CB 4.36Å; Y30-E127 HydrophobicContact CE1-CG 3.76Å; Y30-E127 WeakPolarHBondContact CE1-OE2 3.32Å; Y30-E127 VanDerWaalsContact CZ-OE2 3.26Å; Y30-E127 VanDerWaalsContact OH-CB 3.31Å; Y30-E127 WeakPolarHBondContact OH-CB 3.3Å; Y30-E127 PolarHBondContact OH-OE2 3.4Å; Y30-N131 PolarHBondContact OH-ND2 3.11Å
31F95.9Very high94.7Very high22 Ų2256.9 Ų56.910%0.09630%0.3CS..Hα-helixtrans-63-45.8177.2-162.9-119.8000111.3A27 E28 L33 L34 C35 Y110 L141 I144 E145A27-F31 VanDerWaalsContact O-CB 3.32Å; A27-F31 WeakPolarHBondContact O-CB 3.48Å; A27-F31 PolarHBondContact O-N 2.62Å; E28-F31 PolarHBondContact O-N 3.1Å; F31-L33 VanDerWaalsContact C-N 3.28Å; F31-L33 PolarHBondContact O-N 3.03Å; F31-L34 WeakPolarHBondContact O-CB 3.33Å; F31-L34 PolarHBondContact O-N 3.39Å; F31-L34 VanDerWaalsContact O-N 3.16Å; F31-C35 PolarHBondContact O-N 2.75Å; F31-C35 PolarHBondContact O-SG 3.34Å; F31-Y110 HydrophobicContact CB-CD2 4.09Å; F31-Y110 HydrophobicContact CB-CE2 3.98Å; F31-Y110 HydrophobicContact CD2-CD2 4.31Å; F31-Y110 HydrophobicContact CD2-CE2 4.27Å; F31-Y110 HydrophobicContact CG-CD2 4.28Å; F31-Y110 HydrophobicContact CG-CE2 4.42Å; F31-L141 HydrophobicContact CE2-CB 4.48Å; F31-L141 HydrophobicContact CE2-CD1 4.39Å; F31-L141 HydrophobicContact CE2-CD2 4.14Å; F31-L141 HydrophobicContact CZ-CB 4.48Å; F31-L141 HydrophobicContact CZ-CD2 4.49Å; F31-I144 HydrophobicContact CZ-CD1 4.3Å; F31-I144 HydrophobicContact CZ-CG1 4.43Å; F31-E145 HydrophobicContact CD1-CG 3.85Å; F31-E145 HydrophobicContact CE1-CG 3.29Å; F31-E145 HydrophobicContact CZ-CG 4.17Å
32R94.6Very high94.8Very high128 Ų12860.2 Ų60.248%0.48331%0.313SS..Hα-helixtrans-58.3-40.8173.9-74.5177.6176.1143.98.6112.2E28 C35 S36E28-R32 WeakPolarHBondContact O-CB 3.45Å; E28-R32 WeakPolarHBondContact O-CG 3.37Å; E28-R32 PolarHBondContact O-N 2.91Å; E28-R32 IonicContact OE1-CZ 2.71Å; E28-R32 IonicContact OE1-NH1 2.73Å; E28-R32 IonicContact OE1-NH2 3.6Å; E28-R32 PolarHBondContact OE1-NH2 3.11Å; E28-R32 IonicContact OE2-CZ 3.44Å; E28-R32 IonicContact OE2-NH1 3.37Å; E28-R32 PolarHBondContact OE2-NH1 3.39Å; E28-R32 IonicContact OE2-NH2 2.8Å; E28-R32 PolarHBondContact OE2-NH2 2.91Å; R32-C35 PolarHBondContact O-N 3.01Å; R32-S36 VanDerWaalsContact O-CB 3.25Å; R32-S36 WeakPolarHBondContact O-CB 3.34Å; R32-S36 PolarHBondContact O-N 3.3Å; R32-S36 PolarHBondContact O-OG 2.67Å
33L95.7Very high95Very high71 Ų7157.6 Ų57.637%0.37230%0.302SS..Hα-helixtrans-61.5-49.3175.5177.264000111.1A29 Y30 F31 C35 S36 V37 L43 L45A29-L33 WeakPolarHBondContact O-CB 3.18Å; A29-L33 PolarHBondContact O-N 3.41Å; Y30-L33 WeakPolarHBondContact O-CB 3.34Å; Y30-L33 PolarHBondContact O-N 3.24Å; F31-L33 VanDerWaalsContact C-N 3.28Å; F31-L33 PolarHBondContact O-N 3.03Å; L33-C35 VanDerWaalsContact C-N 3.27Å; L33-C35 PolarHBondContact O-N 3.08Å; L33-S36 PolarHBondContact O-N 3.34Å; L33-V37 HydrophobicContact CD1-CG1 4.15Å; L33-V37 PolarHBondContact O-N 3.09Å; L33-V37 VanDerWaalsContact O-N 3.13Å; L33-L43 HydrophobicContact CD1-CD2 3.97Å; L33-L43 HydrophobicContact CD2-CD2 4.02Å; L33-L43 HydrophobicContact CG-CD1 4.48Å; L33-L43 HydrophobicContact CG-CD2 3.98Å; L33-L45 HydrophobicContact CD2-CD2 4.44Å
34L94.9Very high95.1Very high1 Ų163.5 Ų63.51%0.00533%0.327CS..Hα-helixtrans-56.6-42.6176.7-80.9-177.7000112Y30 F31 S36 V37 L43 N131 N136 P138 L141Y30-L34 HydrophobicContact CD1-CD1 3.99Å; Y30-L34 HydrophobicContact CD1-CG 4.3Å; Y30-L34 HydrophobicContact CE1-CD1 3.3Å; Y30-L34 HydrophobicContact CE1-CD2 4.43Å; Y30-L34 HydrophobicContact CE1-CG 3.75Å; Y30-L34 HydrophobicContact CE2-CD2 4.41Å; Y30-L34 HydrophobicContact CE2-CG 4.17Å; Y30-L34 PolarHBondContact O-N 2.98Å; Y30-L34 WeakPolarHBondContact OH-CD2 3.38Å; F31-L34 WeakPolarHBondContact O-CB 3.33Å; F31-L34 PolarHBondContact O-N 3.39Å; F31-L34 VanDerWaalsContact O-N 3.16Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-V37 WeakPolarHBondContact O-CG2 3.07Å; L34-L43 HydrophobicContact CD2-CD1 3.96Å; L34-N131 WeakPolarHBondContact CD2-OD1 3.48Å; L34-N136 HydrophobicContact CD2-CB 4.19Å; L34-P138 VanDerWaalsContact O-CB 3.3Å; L34-P138 WeakPolarHBondContact O-CB 3.35Å; L34-P138 WeakPolarHBondContact O-CG 3.38Å; L34-L141 HydrophobicContact CB-CD1 4.2Å; L34-L141 HydrophobicContact CD1-CD1 4.18Å
35C94.1Very high95.2Very high3 Ų359.3 Ų59.32%0.0231%0.31CS..Hα-helixtrans-72.9-26.4177.8-61.80000111.9F31 R32 L33 K142 E145F31-C35 PolarHBondContact O-N 2.75Å; F31-C35 PolarHBondContact O-SG 3.34Å; R32-C35 PolarHBondContact O-N 3.01Å; L33-C35 VanDerWaalsContact C-N 3.27Å; L33-C35 PolarHBondContact O-N 3.08Å; C35-K142 HydrophobicContact CB-CG 4.23Å; C35-K142 WeakPolarHBondContact O-CE 3.44Å; C35-K142 PolarHBondContact O-NZ 3.23Å; C35-E145 WeakPolarHBondContact CB-OE2 3.42Å; C35-E145 PolarHBondContact SG-OE2 2.92Å
36S92.6Very high95.2Very high96 Ų9655 Ų5567%0.67130%0.297SS*.Hα-helixtrans-83.4-23.8-177.1-61.80000113.9R32 L33 L34R32-S36 VanDerWaalsContact O-CB 3.25Å; R32-S36 WeakPolarHBondContact O-CB 3.34Å; R32-S36 PolarHBondContact O-N 3.3Å; R32-S36 PolarHBondContact O-OG 2.67Å; L33-S36 PolarHBondContact O-N 3.34Å; L34-S36 VanDerWaalsContact C-N 3.33Å
37V94Very high95.2Very high29 Ų2958.4 Ų58.418%0.17633%0.332CS..  trans-82148179.8-63.60000112.7L33 L34 P40 L43 P138L33-V37 HydrophobicContact CD1-CG1 4.15Å; L33-V37 PolarHBondContact O-N 3.09Å; L33-V37 VanDerWaalsContact O-N 3.13Å; L34-V37 WeakPolarHBondContact O-CG2 3.07Å; V37-P40 HydrophobicContact CG2-CB 4.41Å; V37-P40 HydrophobicContact CG2-CG 3.97Å; V37-L43 HydrophobicContact CG1-CD1 4.4Å; V37-L43 HydrophobicContact CG1-CD2 3.57Å; V37-L43 HydrophobicContact CG1-CG 4.1Å; V37-L43 HydrophobicContact CG2-CD1 3.87Å; V37-L43 HydrophobicContact CG2-CG 4.19Å; V37-P138 HydrophobicContact CG2-CG 4.16Å; V37-P138 WeakPolarHBondContact O-CB 3.3Å; V37-P138 WeakPolarHBondContact O-CG 2.65Å
38S92.8Very high95.2Very high121 Ų12160.7 Ų60.785%0.84634%0.344SS*.SBendtrans-83.6-31.117252.10000112.8
39D94.8Very high95.4Very high53 Ų5357.3 Ų57.328%0.28333%0.328SS..  trans-13896.4-176-179.31.1000110.3S41 K42D39-S41 VanDerWaalsContact CG-OG 3.31Å; D39-S41 PolarHBondContact O-N 3.34Å; D39-S41 WeakPolarHBondContact OD1-CB 3.08Å; D39-S41 PolarHBondContact OD1-N 2.79Å; D39-S41 VanDerWaalsContact OD1-N 3.12Å; D39-S41 PolarHBondContact OD1-OG 2.78Å; D39-S41 PolarHBondContact OD2-OG 3.09Å; D39-K42 HydrophobicContact CB-CD 4.36Å; D39-K42 PolarHBondContact O-N 2.81Å; D39-K42 WeakPolarHBondContact OD2-CD 3.41Å; D39-K42 VanDerWaalsContact OD2-CE 3.23Å; D39-K42 WeakPolarHBondContact OD2-CE 3.19Å; D39-K42 IonicContact OD2-NZ 3.81Å; D39-K42 PolarHBondContact OD2-NZ 3.36Å
40P96.7Very high95.5Very high9 Ų958 Ų586%0.05832%0.324CS..G310 helixtrans-61.8-24179.9-25.836.4000114.1V37 K42 L43 N131 N136 P138V37-P40 HydrophobicContact CG2-CB 4.41Å; V37-P40 HydrophobicContact CG2-CG 3.97Å; P40-K42 PolarHBondContact O-N 3.49Å; P40-L43 HydrophobicContact CB-CD1 4.24Å; P40-L43 VanDerWaalsContact O-CB 3.27Å; P40-L43 WeakPolarHBondContact O-CB 3.49Å; P40-L43 PolarHBondContact O-N 2.79Å; P40-N131 HydrophobicContact CB-CB 4.01Å; P40-N131 WeakPolarHBondContact CB-OD1 3.35Å; P40-N131 WeakPolarHBondContact O-CB 3.3Å; P40-N136 HydrophobicContact CB-CB 4.47Å; P40-P138 HydrophobicContact CG-CG 3.39Å
41S95.8Very high95.5Very high58 Ų5861.3 Ų61.341%0.40635%0.345SS..G310 helixtrans-62.1-19.9-179.774.60000112.9D39 N131D39-S41 VanDerWaalsContact CG-OG 3.31Å; D39-S41 PolarHBondContact O-N 3.34Å; D39-S41 WeakPolarHBondContact OD1-CB 3.08Å; D39-S41 PolarHBondContact OD1-N 2.79Å; D39-S41 VanDerWaalsContact OD1-N 3.12Å; D39-S41 PolarHBondContact OD1-OG 2.78Å; D39-S41 PolarHBondContact OD2-OG 3.09Å; S41-N131 WeakPolarHBondContact CA-O 3.46Å; S41-N131 PolarHBondContact N-O 2.86Å
42K94.3Very high95.7Very high158 Ų15860.2 Ų60.269%0.68734%0.34SS*.G310 helixtrans-93.3-5.6176.8-65.6176.8178.61270113.7D39 P40 K44D39-K42 HydrophobicContact CB-CD 4.36Å; D39-K42 PolarHBondContact O-N 2.81Å; D39-K42 WeakPolarHBondContact OD2-CD 3.41Å; D39-K42 VanDerWaalsContact OD2-CE 3.23Å; D39-K42 WeakPolarHBondContact OD2-CE 3.19Å; D39-K42 IonicContact OD2-NZ 3.81Å; D39-K42 PolarHBondContact OD2-NZ 3.36Å; P40-K42 PolarHBondContact O-N 3.49Å; K42-K44 PolarHBondContact O-N 3.17Å
43L96Very high95.8Very high25 Ų2555.8 Ų55.813%0.13132%0.324CS..  trans-63.5131.4173.9-77.7174.4000109.7L33 L34 V37 P40 L45L33-L43 HydrophobicContact CD1-CD2 3.97Å; L33-L43 HydrophobicContact CD2-CD2 4.02Å; L33-L43 HydrophobicContact CG-CD1 4.48Å; L33-L43 HydrophobicContact CG-CD2 3.98Å; L34-L43 HydrophobicContact CD2-CD1 3.96Å; V37-L43 HydrophobicContact CG1-CD1 4.4Å; V37-L43 HydrophobicContact CG1-CD2 3.57Å; V37-L43 HydrophobicContact CG1-CG 4.1Å; V37-L43 HydrophobicContact CG2-CD1 3.87Å; V37-L43 HydrophobicContact CG2-CG 4.19Å; P40-L43 HydrophobicContact CB-CD1 4.24Å; P40-L43 VanDerWaalsContact O-CB 3.27Å; P40-L43 WeakPolarHBondContact O-CB 3.49Å; P40-L43 PolarHBondContact O-N 2.79Å; L43-L45 HydrophobicContact CB-CD2 4.4Å
44K95.7Very high95.9Very high128 Ų12857.5 Ų57.556%0.55733%0.334SS*.  trans-110.1107.6168.2-69.3-67.9-171.8175.80108K42 D49 D50K42-K44 PolarHBondContact O-N 3.17Å; K44-D49 VanDerWaalsContact CA-OD2 3.26Å; K44-D49 WeakPolarHBondContact CA-OD2 3.35Å; K44-D49 HydrophobicContact CD-CB 4.31Å; K44-D50 IonicContact NZ-OD1 2.75Å; K44-D50 PolarHBondContact NZ-OD1 3.42Å; K44-D50 IonicContact NZ-OD2 3.69Å; K44-D50 PolarHBondContact NZ-OD2 3.28Å
45L96Very high96Very high39 Ų3960.4 Ų60.420%0.20435%0.346CS..SBendtrans-83.2-28.9178.9-56-170.1000111.2Y30 L33 L43 D49 L124 E127 I128Y30-L45 HydrophobicContact CD2-CD2 4.46Å; Y30-L45 HydrophobicContact CE2-CD1 3.9Å; Y30-L45 HydrophobicContact CE2-CD2 3.88Å; L33-L45 HydrophobicContact CD2-CD2 4.44Å; L43-L45 HydrophobicContact CB-CD2 4.4Å; L45-D49 PolarHBondContact N-OD2 3.07Å; L45-L124 HydrophobicContact CB-CD2 3.67Å; L45-L124 HydrophobicContact CD1-CD2 4.04Å; L45-E127 HydrophobicContact CD1-CB 4.29Å; L45-I128 HydrophobicContact CB-CG1 4.4Å; L45-I128 HydrophobicContact CD1-CG1 3.93Å; L45-I128 HydrophobicContact CG-CG1 4.24Å
46T95.9Very high96.2Very high30 Ų3060.3 Ų60.318%0.18435%0.346CS..SBendtrans-146169.3176.176.60000111.6L48 D49 I52 L124T46-L48 PolarHBondContact O-N 2.99Å; T46-L48 PolarHBondContact OG1-N 2.98Å; T46-D49 WeakPolarHBondContact CA-OD1 3.4Å; T46-D49 WeakPolarHBondContact CB-OD1 3.18Å; T46-D49 PolarHBondContact N-OD1 3.29Å; T46-D49 PolarHBondContact OG1-N 2.98Å; T46-D49 PolarHBondContact OG1-OD1 2.87Å; T46-I52 HydrophobicContact CG2-CD1 4.45Å; T46-L124 HydrophobicContact CG2-CD1 3.56Å; T46-L124 HydrophobicContact CG2-CD2 3.76Å; T46-L124 HydrophobicContact CG2-CG 4.28Å
47A95.6Very high96.3Very high108 Ų10858.6 Ų58.689%0.89333%0.328SS*.THydrogen-bonded Turntrans-69.4-14.2169.600000113.5
48L96.9Very high96.4Very high51 Ų5160.3 Ų60.327%0.26735%0.351SS..THydrogen-bonded Turntrans-107.613.6-175.2-64.4179.6000112.9T46 D50 V51 I52 K92 V93T46-L48 PolarHBondContact O-N 2.99Å; T46-L48 PolarHBondContact OG1-N 2.98Å; L48-D50 PolarHBondContact O-N 2.84Å; L48-D50 VanDerWaalsContact O-N 3.11Å; L48-V51 HydrophobicContact CD2-CG2 4.43Å; L48-V51 WeakPolarHBondContact O-CB 3.32Å; L48-V51 PolarHBondContact O-N 3.06Å; L48-I52 HydrophobicContact CB-CD1 4.14Å; L48-I52 HydrophobicContact CB-CG1 4.27Å; L48-I52 WeakPolarHBondContact O-CG1 3.28Å; L48-I52 PolarHBondContact O-N 2.79Å; L48-K92 HydrophobicContact CD1-CB 3.88Å; L48-K92 WeakPolarHBondContact CD1-O 3.5Å; L48-V93 HydrophobicContact CD1-CG2 3.96Å
49D98.1Very high96.3Very high2 Ų258 Ų581%0.01133%0.327CS..Hα-helixtrans-55.3-37.3-172.5-77.310.4000113.7K44 L45 T46 F53 I128 R132K44-D49 VanDerWaalsContact CA-OD2 3.26Å; K44-D49 WeakPolarHBondContact CA-OD2 3.35Å; K44-D49 HydrophobicContact CD-CB 4.31Å; L45-D49 PolarHBondContact N-OD2 3.07Å; T46-D49 WeakPolarHBondContact CA-OD1 3.4Å; T46-D49 WeakPolarHBondContact CB-OD1 3.18Å; T46-D49 PolarHBondContact N-OD1 3.29Å; T46-D49 PolarHBondContact OG1-N 2.98Å; T46-D49 PolarHBondContact OG1-OD1 2.87Å; D49-F53 WeakPolarHBondContact O-CB 3.44Å; D49-F53 PolarHBondContact O-N 2.85Å; D49-I128 HydrophobicContact CB-CD1 3.96Å; D49-I128 HydrophobicContact CB-CG1 4.48Å; D49-I128 HydrophobicContact CB-CG2 4.34Å; D49-I128 VanDerWaalsContact CG-CD1 3.49Å; D49-I128 VanDerWaalsContact OD1-CD1 3.25Å; D49-I128 WeakPolarHBondContact OD1-CD1 3.1Å; D49-R132 VanDerWaalsContact C-NH2 3.29Å; D49-R132 VanDerWaalsContact CB-NH2 3.33Å; D49-R132 PolarHBondContact O-NH2 3.44Å
50D98Very high96.2Very high75 Ų7555.8 Ų55.840%0.40132%0.315SS..Hα-helixtrans-66.3-44.2178.1-61-43.7000111K44 L48 I52 F53 D54 R132K44-D50 IonicContact NZ-OD1 2.75Å; K44-D50 PolarHBondContact NZ-OD1 3.42Å; K44-D50 IonicContact NZ-OD2 3.69Å; K44-D50 PolarHBondContact NZ-OD2 3.28Å; L48-D50 PolarHBondContact O-N 2.84Å; L48-D50 VanDerWaalsContact O-N 3.11Å; D50-I52 PolarHBondContact O-N 3.4Å; D50-F53 PolarHBondContact O-N 3.3Å; D50-D54 WeakPolarHBondContact O-CB 3.48Å; D50-D54 PolarHBondContact O-N 3.46Å; D50-R132 IonicContact OD1-CZ 3.01Å; D50-R132 IonicContact OD1-NH1 3.3Å; D50-R132 PolarHBondContact OD1-NH1 2.89Å; D50-R132 IonicContact OD1-NH2 3.83Å; D50-R132 PolarHBondContact OD1-NH2 2.88Å
51V97.8Very high95.8Very high80 Ų8059.6 Ų59.649%0.48534%0.342SS..Hα-helixtrans-64.9-41.9176.4-178.30000111.6L48 K55 F89L48-V51 HydrophobicContact CD2-CG2 4.43Å; L48-V51 WeakPolarHBondContact O-CB 3.32Å; L48-V51 PolarHBondContact O-N 3.06Å; V51-K55 WeakPolarHBondContact O-CB 3.45Å; V51-K55 PolarHBondContact O-N 2.94Å; V51-K55 VanDerWaalsContact O-N 3.11Å; V51-F89 HydrophobicContact CG1-CE1 4.24Å
52I98.3Very high95.4Very high0 Ų062.5 Ų62.50%035%0.353CS..Hα-helixtrans-63.8-48.2177.9-65.9168000109.8T46 L48 D50 F56 F85 F89 V93 I121 L124 A125 I128T46-I52 HydrophobicContact CG2-CD1 4.45Å; L48-I52 HydrophobicContact CB-CD1 4.14Å; L48-I52 HydrophobicContact CB-CG1 4.27Å; L48-I52 WeakPolarHBondContact O-CG1 3.28Å; L48-I52 PolarHBondContact O-N 2.79Å; D50-I52 PolarHBondContact O-N 3.4Å; I52-F56 VanDerWaalsContact O-CB 3.23Å; I52-F56 WeakPolarHBondContact O-CB 3.41Å; I52-F56 PolarHBondContact O-N 2.75Å; I52-F85 HydrophobicContact CG2-CZ 4.45Å; I52-F89 HydrophobicContact CB-CE1 4.45Å; I52-F89 HydrophobicContact CB-CZ 4.32Å; I52-F89 HydrophobicContact CG1-CD1 4.19Å; I52-F89 HydrophobicContact CG1-CE1 3.53Å; I52-F89 HydrophobicContact CG1-CZ 3.83Å; I52-V93 HydrophobicContact CD1-CG2 4.3Å; I52-I121 HydrophobicContact CD1-CD1 3.87Å; I52-I121 HydrophobicContact CG1-CD1 4.03Å; I52-I121 HydrophobicContact CG2-CD1 4.46Å; I52-L124 HydrophobicContact CD1-CB 4.49Å; I52-L124 HydrophobicContact CD1-CD1 4.44Å; I52-A125 HydrophobicContact CG2-CB 3.88Å; I52-I128 HydrophobicContact CB-CD1 4.22Å; I52-I128 HydrophobicContact CD1-CD1 4.21Å; I52-I128 HydrophobicContact CG2-CD1 4Å
53F98Very high95.1Very high34 Ų3456.7 Ų56.715%0.14933%0.33CS..Hα-helixtrans-62-50.1179.7-180-103.5000111.8D49 D50 K55 F56 M57 I128 A129 R132D49-F53 WeakPolarHBondContact O-CB 3.44Å; D49-F53 PolarHBondContact O-N 2.85Å; D50-F53 PolarHBondContact O-N 3.3Å; F53-K55 VanDerWaalsContact C-N 3.34Å; F53-K55 PolarHBondContact O-N 2.93Å; F53-F56 PolarHBondContact O-N 3.1Å; F53-M57 HydrophobicContact CD1-CG 4.2Å; F53-M57 HydrophobicContact CD2-CG 3.99Å; F53-M57 HydrophobicContact CE1-CG 3.85Å; F53-M57 HydrophobicContact CE2-CG 3.63Å; F53-M57 HydrophobicContact CE2-SD 3.88Å; F53-M57 HydrophobicContact CG-CG 4.28Å; F53-M57 HydrophobicContact CZ-CG 3.56Å; F53-M57 HydrophobicContact CZ-SD 4.14Å; F53-M57 WeakPolarHBondContact O-CB 3.29Å; F53-M57 VanDerWaalsContact O-CG 3.31Å; F53-M57 WeakPolarHBondContact O-CG 3.32Å; F53-M57 PolarHBondContact O-N 3.1Å; F53-I128 HydrophobicContact CB-CG2 3.98Å; F53-I128 HydrophobicContact CD2-CG2 4.28Å; F53-A129 HydrophobicContact CD2-CB 4.18Å; F53-A129 HydrophobicContact CE2-CB 4.12Å; F53-R132 HydrophobicContact CD2-CB 4.49Å; F53-R132 HydrophobicContact CE2-CB 4.02Å; F53-R132 HydrophobicContact CZ-CB 4.33Å
54D97.7Very high95Very high107 Ų10761.1 Ų61.157%0.57235%0.35SS*.Hα-helixtrans-61.7-42.8-178-70.2-15.6000111.6D50 G58D50-D54 WeakPolarHBondContact O-CB 3.48Å; D50-D54 PolarHBondContact O-N 3.46Å; D54-G58 PolarHBondContact O-N 2.84Å
55K97.4Very high95Very high63 Ų6355.6 Ų55.627%0.27433%0.327SS..Hα-helixtrans-66.4-41.8176.5-171.5175.1172.562.70111.8V51 F53 G58 E59 F85 A88 F89V51-K55 WeakPolarHBondContact O-CB 3.45Å; V51-K55 PolarHBondContact O-N 2.94Å; V51-K55 VanDerWaalsContact O-N 3.11Å; F53-K55 VanDerWaalsContact C-N 3.34Å; F53-K55 PolarHBondContact O-N 2.93Å; K55-G58 PolarHBondContact O-N 3.42Å; K55-E59 WeakPolarHBondContact CE-OE1 3.47Å; K55-E59 IonicContact NZ-OE1 2.61Å; K55-E59 PolarHBondContact NZ-OE1 3.42Å; K55-E59 PolarHBondContact O-N 2.96Å; K55-E59 VanDerWaalsContact O-N 3.14Å; K55-F85 HydrophobicContact CB-CE2 4.08Å; K55-F85 HydrophobicContact CD-CD2 4.14Å; K55-F85 HydrophobicContact CD-CE2 4.04Å; K55-F85 HydrophobicContact CG-CD2 4.04Å; K55-F85 HydrophobicContact CG-CE2 3.77Å; K55-A88 HydrophobicContact CD-CB 4.39Å; K55-A88 VanDerWaalsContact CE-CB 3.43Å; K55-F89 HydrophobicContact CB-CZ 4.38Å; K55-F89 HydrophobicContact CD-CE2 3.72Å; K55-F89 HydrophobicContact CD-CZ 3.81Å
56F97.5Very high95Very high1 Ų157.4 Ų57.40%0.00434%0.336CS..Hα-helixtrans-62.5-49.6177.8173.9-101.9000110.9I52 F53 G58 E59 F60 V63 L65 W82 F85 A125 L126 A129I52-F56 VanDerWaalsContact O-CB 3.23Å; I52-F56 WeakPolarHBondContact O-CB 3.41Å; I52-F56 PolarHBondContact O-N 2.75Å; F53-F56 PolarHBondContact O-N 3.1Å; F56-G58 PolarHBondContact O-N 3.2Å; F56-E59 PolarHBondContact O-N 3.3Å; F56-F60 HydrophobicContact CD2-CB 3.77Å; F56-F60 AromaticContact CD2-CD2 3.65Å; F56-F60 HydrophobicContact CD2-CD2 3.65Å; F56-F60 AromaticContact CD2-CG 3.95Å; F56-F60 HydrophobicContact CD2-CG 3.95Å; F56-F60 HydrophobicContact CE2-CB 3.39Å; F56-F60 AromaticContact CE2-CD2 3.98Å; F56-F60 HydrophobicContact CE2-CD2 3.98Å; F56-F60 AromaticContact CE2-CG 3.78Å; F56-F60 HydrophobicContact CE2-CG 3.78Å; F56-F60 HydrophobicContact CG-CB 4.5Å; F56-F60 HydrophobicContact CZ-CB 3.84Å; F56-F60 WeakPolarHBondContact O-CA 3.31Å; F56-F60 WeakPolarHBondContact O-CB 3.47Å; F56-F60 PolarHBondContact O-N 2.92Å; F56-V63 HydrophobicContact CZ-CB 4.4Å; F56-L65 HydrophobicContact CE1-CD1 4.24Å; F56-L65 HydrophobicContact CE1-CD2 4.09Å; F56-L65 HydrophobicContact CZ-CD2 3.89Å; F56-W82 AromaticContact CD2-CH2 3.87Å; F56-W82 HydrophobicContact CD2-CH2 3.87Å; F56-W82 HydrophobicContact CD2-CZ3 4.4Å; F56-W82 AromaticContact CE2-CH2 3.55Å; F56-W82 HydrophobicContact CE2-CH2 3.55Å; F56-W82 HydrophobicContact CE2-CZ2 4.1Å; F56-W82 HydrophobicContact CE2-CZ3 4.49Å; F56-F85 HydrophobicContact CB-CE2 4.12Å; F56-F85 HydrophobicContact CB-CZ 4.14Å; F56-A125 HydrophobicContact CB-CB 4.1Å; F56-A125 HydrophobicContact CD2-CB 3.85Å; F56-A125 HydrophobicContact CG-CB 4.04Å; F56-L126 HydrophobicContact CE2-CD2 3.79Å; F56-L126 HydrophobicContact CZ-CD2 3.71Å; F56-A129 HydrophobicContact CD1-CB 3.75Å; F56-A129 HydrophobicContact CE1-CB 3.62Å
57M95.9Very high95.1Very high60 Ų6059.2 Ų59.230%0.29635%0.348SS..Hα-helixtrans-64.5-28.8178.6-65.2-52.4-59.500112.6F53 S61 L133F53-M57 HydrophobicContact CD1-CG 4.2Å; F53-M57 HydrophobicContact CD2-CG 3.99Å; F53-M57 HydrophobicContact CE1-CG 3.85Å; F53-M57 HydrophobicContact CE2-CG 3.63Å; F53-M57 HydrophobicContact CE2-SD 3.88Å; F53-M57 HydrophobicContact CG-CG 4.28Å; F53-M57 HydrophobicContact CZ-CG 3.56Å; F53-M57 HydrophobicContact CZ-SD 4.14Å; F53-M57 WeakPolarHBondContact O-CB 3.29Å; F53-M57 VanDerWaalsContact O-CG 3.31Å; F53-M57 WeakPolarHBondContact O-CG 3.32Å; F53-M57 PolarHBondContact O-N 3.1Å; M57-S61 VanDerWaalsContact O-CB 3.3Å; M57-S61 WeakPolarHBondContact O-CB 3.37Å; M57-L133 HydrophobicContact CE-CD1 4.45Å; M57-L133 HydrophobicContact SD-CD1 4.39Å
58G94.7Very high95.1Very high64 Ų6454.2 Ų54.266%0.6631%0.306SS*.Hα-helixtrans-73.8-29174.700000114.7D54 K55 F56D54-G58 PolarHBondContact O-N 2.84Å; K55-G58 PolarHBondContact O-N 3.42Å; F56-G58 PolarHBondContact O-N 3.2Å
59E92.3Very high94.8Very high72 Ų7254.8 Ų54.834%0.33631%0.314SS..Hα-helixtrans-105.8-23.6-174.5-70.6-178.3-162.700114.2K55 F56K55-E59 WeakPolarHBondContact CE-OE1 3.47Å; K55-E59 IonicContact NZ-OE1 2.61Å; K55-E59 PolarHBondContact NZ-OE1 3.42Å; K55-E59 PolarHBondContact O-N 2.96Å; K55-E59 VanDerWaalsContact O-N 3.14Å; F56-E59 PolarHBondContact O-N 3.3Å
60F92.2Very high94.3Very high7 Ų758.1 Ų58.13%0.03133%0.329CS..  trans-133.729.2-170-59.8-84.6000112.2F56 D62 V63 K81 W82 F85F56-F60 HydrophobicContact CD2-CB 3.77Å; F56-F60 AromaticContact CD2-CD2 3.65Å; F56-F60 HydrophobicContact CD2-CD2 3.65Å; F56-F60 AromaticContact CD2-CG 3.95Å; F56-F60 HydrophobicContact CD2-CG 3.95Å; F56-F60 HydrophobicContact CE2-CB 3.39Å; F56-F60 AromaticContact CE2-CD2 3.98Å; F56-F60 HydrophobicContact CE2-CD2 3.98Å; F56-F60 AromaticContact CE2-CG 3.78Å; F56-F60 HydrophobicContact CE2-CG 3.78Å; F56-F60 HydrophobicContact CG-CB 4.5Å; F56-F60 HydrophobicContact CZ-CB 3.84Å; F56-F60 WeakPolarHBondContact O-CA 3.31Å; F56-F60 WeakPolarHBondContact O-CB 3.47Å; F56-F60 PolarHBondContact O-N 2.92Å; F60-D62 PolarHBondContact O-N 3.29Å; F60-V63 HydrophobicContact CB-CB 4.34Å; F60-V63 HydrophobicContact CB-CG2 3.73Å; F60-V63 HydrophobicContact CD1-CG2 3.95Å; F60-V63 HydrophobicContact CG-CG2 4.32Å; F60-V63 WeakPolarHBondContact O-CB 3.33Å; F60-V63 PolarHBondContact O-N 2.84Å; F60-K81 HydrophobicContact CE1-CB 3.88Å; F60-K81 HydrophobicContact CE1-CD 4.31Å; F60-K81 HydrophobicContact CZ-CB 3.94Å; F60-W82 HydrophobicContact CD1-CZ2 4.12Å; F60-W82 AromaticContact CE1-CD2 3.9Å; F60-W82 HydrophobicContact CE1-CD2 3.9Å; F60-W82 AromaticContact CE1-CE2 3.69Å; F60-W82 HydrophobicContact CE1-CE3 4.38Å; F60-W82 HydrophobicContact CE1-CG 4.28Å; F60-W82 HydrophobicContact CE1-CZ2 4.06Å; F60-W82 AromaticContact CE1-NE1 3.92Å; F60-W82 HydrophobicContact CE2-CE3 4.28Å; F60-W82 HydrophobicContact CE2-CZ3 4.23Å; F60-W82 AromaticContact CZ-CD2 3.81Å; F60-W82 HydrophobicContact CZ-CD2 3.81Å; F60-W82 AromaticContact CZ-CE3 3.9Å; F60-W82 HydrophobicContact CZ-CE3 3.9Å; F60-W82 HydrophobicContact CZ-CG 4.29Å; F60-W82 HydrophobicContact CZ-CH2 4.5Å; F60-W82 HydrophobicContact CZ-CZ2 4.41Å; F60-W82 HydrophobicContact CZ-CZ3 4.24Å; F60-F85 HydrophobicContact CD2-CD2 4.36Å; F60-F85 HydrophobicContact CE2-CB 3.88Å; F60-F85 AromaticContact CE2-CD2 3.67Å; F60-F85 HydrophobicContact CE2-CD2 3.67Å; F60-F85 HydrophobicContact CE2-CE2 4.39Å; F60-F85 AromaticContact CE2-CG 3.85Å; F60-F85 HydrophobicContact CE2-CG 3.85Å; F60-F85 HydrophobicContact CZ-CB 4.11Å; F60-F85 HydrophobicContact CZ-CG 4.48Å
61S87.8Confident93.8Very high90 Ų9060.8 Ų60.863%0.62934%0.344SS*.THydrogen-bonded Turntrans-57.6-20.417752.80000114M57M57-S61 VanDerWaalsContact O-CB 3.3Å; M57-S61 WeakPolarHBondContact O-CB 3.37Å
62D86.9Confident93.3Very high119 Ų11959.1 Ų59.164%0.63634%0.336SS*.THydrogen-bonded Turntrans-86-9178.659-53.1000113.8F60 Q64F60-D62 PolarHBondContact O-N 3.29Å; D62-Q64 PolarHBondContact O-N 2.91Å
63V89.2Confident92.8Very high35 Ų3559.8 Ų59.821%0.21234%0.339CS..  trans-75.2123.3-177.8174.50000110.6F56 F60 L65 L126F56-V63 HydrophobicContact CZ-CB 4.4Å; F60-V63 HydrophobicContact CB-CB 4.34Å; F60-V63 HydrophobicContact CB-CG2 3.73Å; F60-V63 HydrophobicContact CD1-CG2 3.95Å; F60-V63 HydrophobicContact CG-CG2 4.32Å; F60-V63 WeakPolarHBondContact O-CB 3.33Å; F60-V63 PolarHBondContact O-N 2.84Å; V63-L65 HydrophobicContact CG1-CD2 4.39Å; V63-L65 PolarHBondContact O-N 3Å; V63-L126 HydrophobicContact CG1-CD2 4.43Å
64Q92.8Very high92.2Very high119 Ų11963 Ų6356%0.55635%0.353SS*.  trans-68.7125.9169.1-178.9168.2700109.9D62 D66 I68D62-Q64 PolarHBondContact O-N 2.91Å; Q64-D66 VanDerWaalsContact CD-OD1 3.26Å; Q64-D66 WeakPolarHBondContact CG-OD1 3.37Å; Q64-D66 PolarHBondContact NE2-OD1 3.47Å; Q64-D66 PolarHBondContact NE2-OD2 2.8Å; Q64-I68 VanDerWaalsContact O-CG1 3.23Å; Q64-I68 WeakPolarHBondContact O-CG1 3.04Å
65L96.3Very high91.7Very high11 Ų1160.1 Ų60.16%0.05834%0.341CS..SBendtrans-107.3-20.2-170.8-74.4172.2000114.2F56 V63 L126 A129 R130 L133 I135F56-L65 HydrophobicContact CE1-CD1 4.24Å; F56-L65 HydrophobicContact CE1-CD2 4.09Å; F56-L65 HydrophobicContact CZ-CD2 3.89Å; V63-L65 HydrophobicContact CG1-CD2 4.39Å; V63-L65 PolarHBondContact O-N 3Å; L65-L126 HydrophobicContact CD2-CD2 3.63Å; L65-A129 HydrophobicContact CD1-CB 3.7Å; L65-A129 HydrophobicContact CD2-CB 4.42Å; L65-R130 HydrophobicContact CB-CG 4.26Å; L65-R130 VanDerWaalsContact O-CZ 3.3Å; L65-R130 PolarHBondContact O-NE 2.85Å; L65-R130 PolarHBondContact O-NH2 3.14Å; L65-L133 HydrophobicContact CD1-CD1 3.6Å; L65-I135 HydrophobicContact CB-CD1 3.26Å; L65-I135 HydrophobicContact CD1-CD1 4.06Å; L65-I135 HydrophobicContact CG-CD1 4.33Å
66D96.9Very high91.1Very high77 Ų7763.8 Ų63.841%0.41236%0.359SS..SBendtrans-69.5-51.7175.458.4-24.6000111Q64 A106 I135Q64-D66 VanDerWaalsContact CD-OD1 3.26Å; Q64-D66 WeakPolarHBondContact CG-OD1 3.37Å; Q64-D66 PolarHBondContact NE2-OD1 3.47Å; Q64-D66 PolarHBondContact NE2-OD2 2.8Å; D66-A106 WeakPolarHBondContact O-CB 3.24Å; D66-A106 PolarHBondContact O-N 3.3Å; D66-I135 HydrophobicContact CB-CG2 4.18Å
67V97.2Very high90.4Very high69 Ų6970.7 Ų70.742%0.41839%0.391SS..BIsolated β-bridgetrans-126.9109.1173.7-175.30000109.1L104 D105V67-L104 WeakPolarHBondContact CA-O 3.25Å; V67-D105 HydrophobicContact CG2-CB 4.35Å
68I95.1Very high90Very high3 Ų368.9 Ų68.92%0.01539%0.385CS..  trans-93.4126.2176.9-60.5167000107.9Q64 L73 L102 L104 L126 R130Q64-I68 VanDerWaalsContact O-CG1 3.23Å; Q64-I68 WeakPolarHBondContact O-CG1 3.04Å; I68-L73 HydrophobicContact CG2-CD1 3.79Å; I68-L73 HydrophobicContact CG2-CD2 3.76Å; I68-L73 HydrophobicContact CG2-CG 3.65Å; I68-L102 HydrophobicContact CD1-CD2 4.23Å; I68-L104 PolarHBondContact N-O 2.77Å; I68-L104 WeakPolarHBondContact O-CD2 3.28Å; I68-L126 HydrophobicContact CD1-CD1 4.12Å; I68-L126 HydrophobicContact CD1-CD2 3.94Å; I68-L126 HydrophobicContact CD1-CG 4.44Å; I68-R130 VanDerWaalsContact CD1-NH2 3.33Å
69S90Very high89.8Confident63 Ų6369.8 Ų69.844%0.44137%0.371SS..  trans-79.2136.3170.569.70000110.2D71 S72 L73S69-D71 PolarHBondContact O-N 2.77Å; S69-S72 WeakPolarHBondContact O-CB 3.26Å; S69-S72 PolarHBondContact O-N 2.6Å; S69-S72 PolarHBondContact O-OG 3.13Å; S69-S72 WeakPolarHBondContact OG-CB 3.02Å; S69-S72 PolarHBondContact OG-N 3.02Å; S69-S72 PolarHBondContact OG-OG 2.87Å; S69-L73 PolarHBondContact O-N 3Å
70E89.5Confident89.7Confident71 Ų7169 Ų6933%0.33238%0.377SS..Hα-helixtrans-60-35.3178.1-170.2173.4-149.500111.6S72 L73 K74 L104 C116E70-S72 VanDerWaalsContact C-N 3.32Å; E70-S72 PolarHBondContact O-N 3.41Å; E70-L73 PolarHBondContact O-N 3.49Å; E70-L73 VanDerWaalsContact O-N 3.11Å; E70-K74 HydrophobicContact CG-CD 3.86Å; E70-K74 VanDerWaalsContact CG-CE 3.49Å; E70-K74 HydrophobicContact CG-CG 4.34Å; E70-K74 WeakPolarHBondContact O-CB 3.24Å; E70-K74 WeakPolarHBondContact O-CG 3.13Å; E70-K74 PolarHBondContact O-N 3.11Å; E70-K74 WeakPolarHBondContact OE1-CE 3.44Å; E70-K74 IonicContact OE1-NZ 3.92Å; E70-K74 PolarHBondContact OE1-NZ 3.06Å; E70-K74 IonicContact OE2-NZ 3.92Å; E70-L104 HydrophobicContact CB-CD1 4.37Å; E70-L104 HydrophobicContact CB-CD2 4.22Å; E70-C116 HydrophobicContact CG-CB 4.2Å; E70-C116 WeakPolarHBondContact OE1-CB 3.16Å
71D87.6Confident89.7Confident131 Ų13172.8 Ų72.870%0.70139%0.393SS*.Hα-helixtrans-60.6-37.7173.6-65.7-64.1000113S69 L73 K74 S75S69-D71 PolarHBondContact O-N 2.77Å; D71-L73 PolarHBondContact O-N 3.32Å; D71-K74 PolarHBondContact O-N 2.75Å; D71-K74 VanDerWaalsContact O-N 3.17Å; D71-S75 PolarHBondContact O-N 2.87Å
72S87.1Confident90Very high46 Ų4669 Ų6932%0.32237%0.365SS..Hα-helixtrans-64.7-25.3176.8730000112.5S69 E70 S78S69-S72 WeakPolarHBondContact O-CB 3.26Å; S69-S72 PolarHBondContact O-N 2.6Å; S69-S72 PolarHBondContact O-OG 3.13Å; S69-S72 WeakPolarHBondContact OG-CB 3.02Å; S69-S72 PolarHBondContact OG-N 3.02Å; S69-S72 PolarHBondContact OG-OG 2.87Å; E70-S72 VanDerWaalsContact C-N 3.32Å; E70-S72 PolarHBondContact O-N 3.41Å; S72-S78 WeakPolarHBondContact O-CB 3.02Å; S72-S78 PolarHBondContact O-OG 3.25Å
73L87.3Confident90.4Very high13 Ų1370.7 Ų70.77%0.06836%0.363CS..Hα-helixtrans-85.8-32.5174.6-57.9-175.4000111.7I68 S69 E70 D71 W82 L102 V118I68-L73 HydrophobicContact CG2-CD1 3.79Å; I68-L73 HydrophobicContact CG2-CD2 3.76Å; I68-L73 HydrophobicContact CG2-CG 3.65Å; S69-L73 PolarHBondContact O-N 3Å; E70-L73 PolarHBondContact O-N 3.49Å; E70-L73 VanDerWaalsContact O-N 3.11Å; D71-L73 PolarHBondContact O-N 3.32Å; L73-W82 HydrophobicContact CD2-CZ2 4.23Å; L73-L102 HydrophobicContact CD1-CD2 3.98Å; L73-V118 HydrophobicContact CD1-CG1 4.04Å
74K85.3Confident90.6Very high103 Ų10372 Ų7245%0.44838%0.377SS..Hα-helixtrans-100-2.9-171.3-66.3-173-174.71750115.4E70 D71 K79E70-K74 HydrophobicContact CG-CD 3.86Å; E70-K74 VanDerWaalsContact CG-CE 3.49Å; E70-K74 HydrophobicContact CG-CG 4.34Å; E70-K74 WeakPolarHBondContact O-CB 3.24Å; E70-K74 WeakPolarHBondContact O-CG 3.13Å; E70-K74 PolarHBondContact O-N 3.11Å; E70-K74 WeakPolarHBondContact OE1-CE 3.44Å; E70-K74 IonicContact OE1-NZ 3.92Å; E70-K74 PolarHBondContact OE1-NZ 3.06Å; E70-K74 IonicContact OE2-NZ 3.92Å; D71-K74 PolarHBondContact O-N 2.75Å; D71-K74 VanDerWaalsContact O-N 3.17Å; K74-K79 WeakPolarHBondContact O-CE 3.32Å; K74-K79 PolarHBondContact O-NZ 3.32Å
75S86.9Confident90.8Very high45 Ų4566.4 Ų66.432%0.31535%0.351SS..SBendtrans-59.1151.617393.20000111.2D71 Q77 S78 K79D71-S75 PolarHBondContact O-N 2.87Å; S75-Q77 VanDerWaalsContact C-N 3.3Å; S75-Q77 PolarHBondContact O-N 3Å; S75-S78 PolarHBondContact O-N 3.35Å; S75-S78 VanDerWaalsContact O-N 3.13Å; S75-S78 VanDerWaalsContact OG-CB 3.24Å; S75-S78 WeakPolarHBondContact OG-CB 3.48Å; S75-S78 PolarHBondContact OG-N 2.86Å; S75-S78 PolarHBondContact OG-OG 3.21Å; S75-K79 WeakPolarHBondContact O-CB 3.46Å; S75-K79 WeakPolarHBondContact O-CG 3.41Å; S75-K79 PolarHBondContact O-N 2.89Å
76E84.5Confident90.7Very high141 Ų14166.4 Ų66.466%0.65935%0.352SS*.Hα-helixtrans-60.9-38.9-179-69.1-56.7117.300112.7K79 A80E76-K79 PolarHBondContact O-N 2.89Å; E76-K79 IonicContact OE1-NZ 3Å; E76-K79 PolarHBondContact OE1-NZ 2.89Å; E76-A80 PolarHBondContact O-N 3.4Å; E76-A80 VanDerWaalsContact O-N 3.09Å
77Q83.9Confident90.6Very high145 Ų14566.9 Ų66.968%0.67835%0.354SS*.Hα-helixtrans-65.4-42.9174.8-172.3179.343.600111.2S75 A80 K81S75-Q77 VanDerWaalsContact C-N 3.3Å; S75-Q77 PolarHBondContact O-N 3Å; Q77-A80 PolarHBondContact O-N 3.41Å; Q77-K81 PolarHBondContact O-N 2.92Å; Q77-K81 VanDerWaalsContact O-N 3.08Å
78S87.5Confident90.5Very high23 Ų2365 Ų6516%0.16135%0.346CS..Hα-helixtrans-64.9-43.9177.6-59.60000111.6S72 S75 A80 K81 W82S72-S78 WeakPolarHBondContact O-CB 3.02Å; S72-S78 PolarHBondContact O-OG 3.25Å; S75-S78 PolarHBondContact O-N 3.35Å; S75-S78 VanDerWaalsContact O-N 3.13Å; S75-S78 VanDerWaalsContact OG-CB 3.24Å; S75-S78 WeakPolarHBondContact OG-CB 3.48Å; S75-S78 PolarHBondContact OG-N 2.86Å; S75-S78 PolarHBondContact OG-OG 3.21Å; S78-A80 VanDerWaalsContact C-N 3.29Å; S78-A80 PolarHBondContact O-N 2.86Å; S78-K81 PolarHBondContact O-N 3.39Å; S78-W82 WeakPolarHBondContact O-CB 3.3Å; S78-W82 PolarHBondContact O-N 3.33Å
79K89.6Confident90.6Very high82 Ų8265 Ų6536%0.35735%0.346SS..Hα-helixtrans-58.7-40.6175.7-76.1173.7-179.1158.80111.7K74 S75 E76 R83K74-K79 WeakPolarHBondContact O-CE 3.32Å; K74-K79 PolarHBondContact O-NZ 3.32Å; S75-K79 WeakPolarHBondContact O-CB 3.46Å; S75-K79 WeakPolarHBondContact O-CG 3.41Å; S75-K79 PolarHBondContact O-N 2.89Å; E76-K79 PolarHBondContact O-N 2.89Å; E76-K79 IonicContact OE1-NZ 3Å; E76-K79 PolarHBondContact OE1-NZ 2.89Å; K79-R83 WeakPolarHBondContact O-CB 3.43Å; K79-R83 PolarHBondContact O-N 3Å
80A90.6Very high90.8Very high56 Ų5668 Ų6846%0.46335%0.353SS..Hα-helixtrans-65.2-46.817700000111.6E76 Q77 S78 R83 A84E76-A80 PolarHBondContact O-N 3.4Å; E76-A80 VanDerWaalsContact O-N 3.09Å; Q77-A80 PolarHBondContact O-N 3.41Å; S78-A80 VanDerWaalsContact C-N 3.29Å; S78-A80 PolarHBondContact O-N 2.86Å; A80-R83 PolarHBondContact O-N 3.41Å; A80-A84 PolarHBondContact O-N 3.43Å
81K92.6Very high91Very high86 Ų8668.6 Ų68.637%0.37438%0.378SS..Hα-helixtrans-60.6-51.2175.3-73.9-171.4175.1-171.80111.7F60 Q77 S78 R83 A84 F85F60-K81 HydrophobicContact CE1-CB 3.88Å; F60-K81 HydrophobicContact CE1-CD 4.31Å; F60-K81 HydrophobicContact CZ-CB 3.94Å; Q77-K81 PolarHBondContact O-N 2.92Å; Q77-K81 VanDerWaalsContact O-N 3.08Å; S78-K81 PolarHBondContact O-N 3.39Å; K81-R83 VanDerWaalsContact C-N 3.34Å; K81-R83 PolarHBondContact O-N 3.27Å; K81-A84 PolarHBondContact O-N 3.34Å; K81-F85 WeakPolarHBondContact O-CB 3.34Å; K81-F85 PolarHBondContact O-N 2.95Å
82W94.4Very high91.4Very high11 Ų1168.8 Ų68.84%0.04237%0.372CS..Hα-helixtrans-62.1-39.6179.1-79.7118.5000112.3F56 F60 L73 S78 A84 F85 C86 Q122 A125 L126F56-W82 AromaticContact CD2-CH2 3.87Å; F56-W82 HydrophobicContact CD2-CH2 3.87Å; F56-W82 HydrophobicContact CD2-CZ3 4.4Å; F56-W82 AromaticContact CE2-CH2 3.55Å; F56-W82 HydrophobicContact CE2-CH2 3.55Å; F56-W82 HydrophobicContact CE2-CZ2 4.1Å; F56-W82 HydrophobicContact CE2-CZ3 4.49Å; F60-W82 HydrophobicContact CD1-CZ2 4.12Å; F60-W82 AromaticContact CE1-CD2 3.9Å; F60-W82 HydrophobicContact CE1-CD2 3.9Å; F60-W82 AromaticContact CE1-CE2 3.69Å; F60-W82 HydrophobicContact CE1-CE3 4.38Å; F60-W82 HydrophobicContact CE1-CG 4.28Å; F60-W82 HydrophobicContact CE1-CZ2 4.06Å; F60-W82 AromaticContact CE1-NE1 3.92Å; F60-W82 HydrophobicContact CE2-CE3 4.28Å; F60-W82 HydrophobicContact CE2-CZ3 4.23Å; F60-W82 AromaticContact CZ-CD2 3.81Å; F60-W82 HydrophobicContact CZ-CD2 3.81Å; F60-W82 AromaticContact CZ-CE3 3.9Å; F60-W82 HydrophobicContact CZ-CE3 3.9Å; F60-W82 HydrophobicContact CZ-CG 4.29Å; F60-W82 HydrophobicContact CZ-CH2 4.5Å; F60-W82 HydrophobicContact CZ-CZ2 4.41Å; F60-W82 HydrophobicContact CZ-CZ3 4.24Å; L73-W82 HydrophobicContact CD2-CZ2 4.23Å; S78-W82 WeakPolarHBondContact O-CB 3.3Å; S78-W82 PolarHBondContact O-N 3.33Å; W82-A84 PolarHBondContact O-N 3.36Å; W82-F85 HydrophobicContact CE3-CB 4.37Å; W82-F85 AromaticContact CE3-CD1 3.91Å; W82-F85 HydrophobicContact CE3-CD1 3.91Å; W82-F85 HydrophobicContact CE3-CG 4.31Å; W82-F85 AromaticContact CZ3-CD1 3.8Å; W82-F85 HydrophobicContact CZ3-CD1 3.8Å; W82-F85 HydrophobicContact CZ3-CE1 4.04Å; W82-F85 HydrophobicContact CZ3-CG 4.36Å; W82-F85 WeakPolarHBondContact O-CB 3.5Å; W82-F85 PolarHBondContact O-N 3.19Å; W82-C86 WeakPolarHBondContact O-CB 3.33Å; W82-C86 PolarHBondContact O-N 2.93Å; W82-C86 PolarHBondContact O-SG 2.91Å; W82-Q122 HydrophobicContact CD2-CG 4.08Å; W82-Q122 HydrophobicContact CE3-CB 4.07Å; W82-Q122 HydrophobicContact CE3-CG 3.75Å; W82-Q122 HydrophobicContact CH2-CG 3.82Å; W82-Q122 HydrophobicContact CZ2-CG 4.14Å; W82-Q122 HydrophobicContact CZ3-CB 4Å; W82-Q122 HydrophobicContact CZ3-CG 3.63Å; W82-A125 HydrophobicContact CZ3-CB 4.45Å; W82-L126 HydrophobicContact CH2-CD1 4.29Å; W82-L126 HydrophobicContact CH2-CD2 4.05Å; W82-L126 HydrophobicContact CH2-CG 4.02Å; W82-L126 HydrophobicContact CZ2-CD1 4.38Å; W82-L126 HydrophobicContact CZ2-CD2 4.15Å; W82-L126 HydrophobicContact CZ2-CG 4.42Å
83R93.4Very high91.7Very high155 Ų15567.2 Ų67.259%0.58536%0.361SS*.Hα-helixtrans-61.8-45175.1-176.4178.7-71.3113.9-5.4111.6K79 A80 K81 F85 C86 N87K79-R83 WeakPolarHBondContact O-CB 3.43Å; K79-R83 PolarHBondContact O-N 3Å; A80-R83 PolarHBondContact O-N 3.41Å; K81-R83 VanDerWaalsContact C-N 3.34Å; K81-R83 PolarHBondContact O-N 3.27Å; R83-F85 VanDerWaalsContact C-N 3.34Å; R83-C86 PolarHBondContact O-N 3.35Å; R83-N87 WeakPolarHBondContact O-CB 3.34Å; R83-N87 VanDerWaalsContact O-CG 3.23Å; R83-N87 PolarHBondContact O-N 2.88Å; R83-N87 PolarHBondContact O-OD1 3.41Å
84A94.3Very high91.9Very high63 Ų6374 Ų7452%0.52139%0.393SS..Hα-helixtrans-62.3-42.417600000111.6A80 K81 W82 A88A80-A84 PolarHBondContact O-N 3.43Å; K81-A84 PolarHBondContact O-N 3.34Å; W82-A84 PolarHBondContact O-N 3.36Å; A84-A88 PolarHBondContact O-N 3.47Å
85F95.9Very high92.2Very high0 Ų072.6 Ų72.60%039%0.39CS..Hα-helixtrans-60.4-51.3175.1-179.1-92.9000111.8I52 K55 F56 F60 K81 W82 R83 N87 A88 F89 I121 A125I52-F85 HydrophobicContact CG2-CZ 4.45Å; K55-F85 HydrophobicContact CB-CE2 4.08Å; K55-F85 HydrophobicContact CD-CD2 4.14Å; K55-F85 HydrophobicContact CD-CE2 4.04Å; K55-F85 HydrophobicContact CG-CD2 4.04Å; K55-F85 HydrophobicContact CG-CE2 3.77Å; F56-F85 HydrophobicContact CB-CE2 4.12Å; F56-F85 HydrophobicContact CB-CZ 4.14Å; F60-F85 HydrophobicContact CD2-CD2 4.36Å; F60-F85 HydrophobicContact CE2-CB 3.88Å; F60-F85 AromaticContact CE2-CD2 3.67Å; F60-F85 HydrophobicContact CE2-CD2 3.67Å; F60-F85 HydrophobicContact CE2-CE2 4.39Å; F60-F85 AromaticContact CE2-CG 3.85Å; F60-F85 HydrophobicContact CE2-CG 3.85Å; F60-F85 HydrophobicContact CZ-CB 4.11Å; F60-F85 HydrophobicContact CZ-CG 4.48Å; K81-F85 WeakPolarHBondContact O-CB 3.34Å; K81-F85 PolarHBondContact O-N 2.95Å; W82-F85 HydrophobicContact CE3-CB 4.37Å; W82-F85 AromaticContact CE3-CD1 3.91Å; W82-F85 HydrophobicContact CE3-CD1 3.91Å; W82-F85 HydrophobicContact CE3-CG 4.31Å; W82-F85 AromaticContact CZ3-CD1 3.8Å; W82-F85 HydrophobicContact CZ3-CD1 3.8Å; W82-F85 HydrophobicContact CZ3-CE1 4.04Å; W82-F85 HydrophobicContact CZ3-CG 4.36Å; W82-F85 WeakPolarHBondContact O-CB 3.5Å; W82-F85 PolarHBondContact O-N 3.19Å; R83-F85 VanDerWaalsContact C-N 3.34Å; F85-N87 PolarHBondContact O-N 2.89Å; F85-A88 WeakPolarHBondContact O-CB 3.43Å; F85-A88 PolarHBondContact O-N 2.96Å; F85-F89 HydrophobicContact CD1-CE2 4.35Å; F85-F89 HydrophobicContact CD2-CE2 4.34Å; F85-F89 HydrophobicContact CE1-CD2 4.29Å; F85-F89 AromaticContact CE1-CE2 3.87Å; F85-F89 HydrophobicContact CE1-CE2 3.87Å; F85-F89 AromaticContact CE2-CE2 3.86Å; F85-F89 HydrophobicContact CE2-CE2 3.86Å; F85-F89 HydrophobicContact CZ-CD2 4.45Å; F85-F89 AromaticContact CZ-CE2 3.59Å; F85-F89 HydrophobicContact CZ-CE2 3.59Å; F85-F89 HydrophobicContact CZ-CZ 4.29Å; F85-F89 WeakPolarHBondContact O-CD2 3.38Å; F85-I121 HydrophobicContact CE1-CG1 4.01Å; F85-A125 HydrophobicContact CE1-CB 3.7Å; F85-A125 HydrophobicContact CZ-CB 3.65Å
86C95.2Very high92.5Very high11 Ų1171.3 Ų71.37%0.07438%0.379CS..Hα-helixtrans-58.6-48-179.4-67.50000111.8W82 R83 A88 F89 F96 I121W82-C86 WeakPolarHBondContact O-CB 3.33Å; W82-C86 PolarHBondContact O-N 2.93Å; W82-C86 PolarHBondContact O-SG 2.91Å; R83-C86 PolarHBondContact O-N 3.35Å; C86-A88 PolarHBondContact O-N 3.18Å; C86-F89 PolarHBondContact O-N 2.91Å; C86-F96 HydrophobicContact CB-CD2 4.26Å; C86-F96 HydrophobicContact CB-CE2 4.26Å; C86-F96 VanDerWaalsContact O-CD2 3.23Å; C86-F96 WeakPolarHBondContact O-CD2 3.25Å; C86-F96 WeakPolarHBondContact O-CE2 3.35Å; C86-I121 HydrophobicContact CB-CG2 3.71Å; C86-I121 WeakPolarHBondContact SG-CG2 3.42Å
87N94.9Very high92.9Very high87 Ų8769.1 Ų69.147%0.46537%0.371SS..Hα-helixtrans-63.5-24.6-178.4-69.7-2.7000112.8R83 F85 F89 E90R83-N87 WeakPolarHBondContact O-CB 3.34Å; R83-N87 VanDerWaalsContact O-CG 3.23Å; R83-N87 PolarHBondContact O-N 2.88Å; R83-N87 PolarHBondContact O-OD1 3.41Å; F85-N87 PolarHBondContact O-N 2.89Å; N87-F89 PolarHBondContact O-N 3.38Å; N87-E90 WeakPolarHBondContact O-CB 3.41Å; N87-E90 PolarHBondContact O-N 3.33Å
88A95.4Very high93.3Very high31 Ų3166.2 Ų66.226%0.25636%0.356SS..THydrogen-bonded Turntrans-67.2-14.8175.700000113.9K55 A84 F85 C86 K92K55-A88 HydrophobicContact CD-CB 4.39Å; K55-A88 VanDerWaalsContact CE-CB 3.43Å; A84-A88 PolarHBondContact O-N 3.47Å; F85-A88 WeakPolarHBondContact O-CB 3.43Å; F85-A88 PolarHBondContact O-N 2.96Å; C86-A88 PolarHBondContact O-N 3.18Å; A88-K92 PolarHBondContact O-NZ 3.46Å
89F96.4Very high93.5Very high2 Ų265.2 Ų65.21%0.00935%0.35CS..THydrogen-bonded Turntrans-108.14177-65.7-81.7000113.6V51 I52 K55 F85 C86 N87 G91 K92 V93 I121V51-F89 HydrophobicContact CG1-CE1 4.24Å; I52-F89 HydrophobicContact CB-CE1 4.45Å; I52-F89 HydrophobicContact CB-CZ 4.32Å; I52-F89 HydrophobicContact CG1-CD1 4.19Å; I52-F89 HydrophobicContact CG1-CE1 3.53Å; I52-F89 HydrophobicContact CG1-CZ 3.83Å; K55-F89 HydrophobicContact CB-CZ 4.38Å; K55-F89 HydrophobicContact CD-CE2 3.72Å; K55-F89 HydrophobicContact CD-CZ 3.81Å; F85-F89 HydrophobicContact CD1-CE2 4.35Å; F85-F89 HydrophobicContact CD2-CE2 4.34Å; F85-F89 HydrophobicContact CE1-CD2 4.29Å; F85-F89 AromaticContact CE1-CE2 3.87Å; F85-F89 HydrophobicContact CE1-CE2 3.87Å; F85-F89 AromaticContact CE2-CE2 3.86Å; F85-F89 HydrophobicContact CE2-CE2 3.86Å; F85-F89 HydrophobicContact CZ-CD2 4.45Å; F85-F89 AromaticContact CZ-CE2 3.59Å; F85-F89 HydrophobicContact CZ-CE2 3.59Å; F85-F89 HydrophobicContact CZ-CZ 4.29Å; F85-F89 WeakPolarHBondContact O-CD2 3.38Å; C86-F89 PolarHBondContact O-N 2.91Å; N87-F89 PolarHBondContact O-N 3.38Å; F89-G91 PolarHBondContact O-N 3.24Å; F89-K92 PolarHBondContact O-N 2.91Å; F89-V93 HydrophobicContact CB-CB 4.33Å; F89-V93 HydrophobicContact CB-CG2 4.12Å; F89-V93 HydrophobicContact CD1-CG2 3.96Å; F89-V93 HydrophobicContact CG-CG2 4.37Å; F89-V93 PolarHBondContact O-N 2.92Å; F89-I121 HydrophobicContact CB-CD1 3.96Å; F89-I121 HydrophobicContact CB-CG1 3.85Å; F89-I121 HydrophobicContact CD1-CD1 4.03Å; F89-I121 HydrophobicContact CD2-CD1 3.75Å; F89-I121 HydrophobicContact CD2-CG1 3.5Å; F89-I121 HydrophobicContact CE1-CD1 4.49Å; F89-I121 HydrophobicContact CE2-CD1 4.23Å; F89-I121 HydrophobicContact CE2-CG1 4.19Å; F89-I121 HydrophobicContact CG-CD1 3.64Å; F89-I121 HydrophobicContact CG-CG1 3.74Å
90E95.1Very high93.8Very high127 Ų12761.4 Ų61.459%0.59333%0.334SS*.THydrogen-bonded Turntrans-57.5128.9170.9-175.2169.6-155.800110N87 K92 F96N87-E90 WeakPolarHBondContact O-CB 3.41Å; N87-E90 PolarHBondContact O-N 3.33Å; E90-K92 PolarHBondContact O-N 3.46Å; E90-F96 HydrophobicContact CB-CD1 4.47Å; E90-F96 HydrophobicContact CB-CE1 3.87Å; E90-F96 HydrophobicContact CB-CE2 4.3Å; E90-F96 HydrophobicContact CB-CZ 3.76Å; E90-F96 HydrophobicContact CG-CE1 3.75Å; E90-F96 HydrophobicContact CG-CZ 3.89Å
91G93.8Very high94.1Very high82 Ų8260.1 Ų60.185%0.84532%0.319SS*.THydrogen-bonded Turntrans72.3-2-175.100000115.6F89F89-G91 PolarHBondContact O-N 3.24Å
92K94.9Very high94.4Very high135 Ų13556 Ų5659%0.58730%0.301SS*.THydrogen-bonded Turntrans-106.5-37.3176.2-60.3179.5-171.71580112.5L48 A88 F89 E90L48-K92 HydrophobicContact CD1-CB 3.88Å; L48-K92 WeakPolarHBondContact CD1-O 3.5Å; A88-K92 PolarHBondContact O-NZ 3.46Å; F89-K92 PolarHBondContact O-N 2.91Å; E90-K92 PolarHBondContact O-N 3.46Å
93V93.9Very high94.5Very high14 Ų1455.5 Ų55.59%0.08530%0.299CS..SBendtrans-112.9122.2175.6176.10000107.7L48 I52 F89 D95 F96 I121 L124L48-V93 HydrophobicContact CD1-CG2 3.96Å; I52-V93 HydrophobicContact CD1-CG2 4.3Å; F89-V93 HydrophobicContact CB-CB 4.33Å; F89-V93 HydrophobicContact CB-CG2 4.12Å; F89-V93 HydrophobicContact CD1-CG2 3.96Å; F89-V93 HydrophobicContact CG-CG2 4.37Å; F89-V93 PolarHBondContact O-N 2.92Å; V93-D95 PolarHBondContact O-N 3.44Å; V93-F96 HydrophobicContact CB-CB 4.04Å; V93-F96 HydrophobicContact CG1-CB 4.23Å; V93-F96 WeakPolarHBondContact O-CB 3.49Å; V93-F96 PolarHBondContact O-N 3.28Å; V93-I121 HydrophobicContact CB-CD1 4.36Å; V93-I121 HydrophobicContact CG1-CD1 4.38Å; V93-I121 HydrophobicContact CG2-CD1 3.92Å; V93-L124 HydrophobicContact CG1-CD1 3.98Å
94E92.1Very high94.7Very high156 Ų15649.1 Ų49.173%0.72928%0.276SS*.THydrogen-bonded Turntrans-59.6135.3174.1-175.3176.67400109.9F96 R120E94-F96 PolarHBondContact O-N 2.93Å; E94-F96 VanDerWaalsContact O-N 3.1Å; E94-R120 WeakPolarHBondContact O-CD 3.23Å; E94-R120 PolarHBondContact O-NE 3.34Å
95D91.9Very high94.8Very high72 Ų7247 Ų4739%0.38526%0.257SS..THydrogen-bonded Turntrans51.934179.8-61.2-26.9000113.5V93 N97 F98 R120V93-D95 PolarHBondContact O-N 3.44Å; D95-N97 PolarHBondContact O-N 3.4Å; D95-F98 HydrophobicContact CB-CB 4.04Å; D95-F98 HydrophobicContact CB-CD1 4.14Å; D95-F98 HydrophobicContact CB-CD2 3.64Å; D95-F98 HydrophobicContact CB-CE2 4.08Å; D95-F98 HydrophobicContact CB-CG 3.68Å; D95-F98 HydrophobicContact CB-CZ 4.5Å; D95-F98 WeakPolarHBondContact O-CB 3.31Å; D95-F98 PolarHBondContact O-N 2.59Å; D95-F98 WeakPolarHBondContact OD1-CE2 3.35Å; D95-R120 WeakPolarHBondContact O-CB 3.47Å; D95-R120 WeakPolarHBondContact O-CD 3.47Å
96F93.2Very high94.9Very high19 Ų1947.1 Ų47.18%0.08326%0.257CS..THydrogen-bonded Turntrans-50.6-31.1-174.878-78.2000113.7C86 E90 V93 E94 R120 I121C86-F96 HydrophobicContact CB-CD2 4.26Å; C86-F96 HydrophobicContact CB-CE2 4.26Å; C86-F96 VanDerWaalsContact O-CD2 3.23Å; C86-F96 WeakPolarHBondContact O-CD2 3.25Å; C86-F96 WeakPolarHBondContact O-CE2 3.35Å; E90-F96 HydrophobicContact CB-CD1 4.47Å; E90-F96 HydrophobicContact CB-CE1 3.87Å; E90-F96 HydrophobicContact CB-CE2 4.3Å; E90-F96 HydrophobicContact CB-CZ 3.76Å; E90-F96 HydrophobicContact CG-CE1 3.75Å; E90-F96 HydrophobicContact CG-CZ 3.89Å; V93-F96 HydrophobicContact CB-CB 4.04Å; V93-F96 HydrophobicContact CG1-CB 4.23Å; V93-F96 WeakPolarHBondContact O-CB 3.49Å; V93-F96 PolarHBondContact O-N 3.28Å; E94-F96 PolarHBondContact O-N 2.93Å; E94-F96 VanDerWaalsContact O-N 3.1Å; F96-R120 PolarHBondContact O-N 3.06Å; F96-I121 HydrophobicContact CB-CB 4.13Å; F96-I121 HydrophobicContact CB-CG2 4.39Å; F96-I121 HydrophobicContact CD2-CG2 4.24Å; F96-I121 WeakPolarHBondContact O-CB 3.38Å; F96-I121 VanDerWaalsContact O-CG2 3.25Å; F96-I121 WeakPolarHBondContact O-CG2 3.48Å; F96-I121 PolarHBondContact O-N 2.89Å
97N91.6Very high94.9Very high94 Ų9449.8 Ų49.850%0.50328%0.276SS..THydrogen-bonded Turntrans-99.42-177.164.8-11.4000114.6D95D95-N97 PolarHBondContact O-N 3.4Å
98F92.2Very high94.9Very high84 Ų8449.9 Ų49.937%0.36827%0.272SS..SBendtrans-69.6149179.3-86.2-136.4000111.5D95 P119 R120D95-F98 HydrophobicContact CB-CB 4.04Å; D95-F98 HydrophobicContact CB-CD1 4.14Å; D95-F98 HydrophobicContact CB-CD2 3.64Å; D95-F98 HydrophobicContact CB-CE2 4.08Å; D95-F98 HydrophobicContact CB-CG 3.68Å; D95-F98 HydrophobicContact CB-CZ 4.5Å; D95-F98 WeakPolarHBondContact O-CB 3.31Å; D95-F98 PolarHBondContact O-N 2.59Å; D95-F98 WeakPolarHBondContact OD1-CE2 3.35Å; F98-P119 CarbonylContact O-C 3.4Å; F98-P119 WeakPolarHBondContact O-CA 3.12Å; F98-R120 PolarHBondContact O-N 3.4Å
99G93Very high94.8Very high3 Ų349 Ų493%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-63.6137.9177.600000111.9W19 C23W19-G99 VanDerWaalsContact CH2-N 3.3Å; C23-G99 PolarHBondContact SG-O 3.12Å; C23-G99 VanDerWaalsContact SG-O 3.4Å
100T95.6Very high94.6Very high1 Ų151.4 Ų51.41%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-144.1143.4176.6-62.40000108.6H26 I117 V118 F123H26-T100 WeakPolarHBondContact CE1-CG2 3.28Å; H26-T100 WeakPolarHBondContact ND1-CG2 3.49Å; T100-I117 WeakPolarHBondContact O-CA 3.42Å; T100-V118 PolarHBondContact N-O 3.23Å; T100-V118 PolarHBondContact O-N 2.73Å; T100-V118 VanDerWaalsContact O-O 3.11Å; T100-F123 HydrophobicContact CG2-CB 3.68Å; T100-F123 HydrophobicContact CG2-CD1 3.91Å; T100-F123 HydrophobicContact CG2-CD2 3.47Å; T100-F123 VanDerWaalsContact CG2-CD2 3.47Å; T100-F123 HydrophobicContact CG2-CE1 4.47Å; T100-F123 HydrophobicContact CG2-CE2 4.06Å; T100-F123 HydrophobicContact CG2-CG 3.39Å
101L97Very high94.5Very high29 Ų2949.3 Ų49.315%0.15227%0.265CS..EExtended strand (participates in β ladder)trans-81.2131.2174.5-58.3-177.5000110.2C23 A27 Y110 T115 I117 F123C23-L101 HydrophobicContact CB-CD1 4.33Å; C23-L101 HydrophobicContact CB-CD2 4.18Å; C23-L101 HydrophobicContact CB-CG 3.92Å; A27-L101 HydrophobicContact CB-CB 3.98Å; A27-L101 HydrophobicContact CB-CD1 3.87Å; A27-L101 HydrophobicContact CB-CG 4.35Å; L101-Y110 HydrophobicContact CB-CD1 4.07Å; L101-Y110 HydrophobicContact CB-CE1 3.75Å; L101-Y110 WeakPolarHBondContact O-CE1 3.25Å; L101-Y110 PolarHBondContact O-OH 3.01Å; L101-T115 HydrophobicContact CB-CG2 3.62Å; L101-T115 HydrophobicContact CD1-CG2 4.14Å; L101-T115 HydrophobicContact CD2-CG2 3.86Å; L101-T115 HydrophobicContact CG-CG2 4.04Å; L101-I117 HydrophobicContact CD2-CG1 3.88Å; L101-F123 WeakPolarHBondContact O-CD2 3.21Å; L101-F123 WeakPolarHBondContact O-CE2 3.36Å
102L97.6Very high94.4Very high0 Ų050.6 Ų50.60%026%0.258CS..EExtended strand (participates in β ladder)trans-117136.6174.2174.574.8000109.9I68 L73 T115 C116 V118 F123 L126 E127I68-L102 HydrophobicContact CD1-CD2 4.23Å; L73-L102 HydrophobicContact CD1-CD2 3.98Å; L102-T115 WeakPolarHBondContact O-CA 3.46Å; L102-C116 PolarHBondContact N-O 2.75Å; L102-C116 PolarHBondContact O-N 2.74Å; L102-V118 HydrophobicContact CB-CG1 4.25Å; L102-V118 HydrophobicContact CB-CG2 3.69Å; L102-V118 HydrophobicContact CD2-CG1 4.01Å; L102-V118 HydrophobicContact CD2-CG2 4.37Å; L102-F123 HydrophobicContact CD1-CD2 4.22Å; L102-L126 HydrophobicContact CD1-CB 4.2Å; L102-L126 HydrophobicContact CD1-CD1 4.27Å; L102-L126 HydrophobicContact CD2-CD1 3.42Å; L102-L126 VanDerWaalsContact CD2-CD1 3.42Å; L102-L126 HydrophobicContact CG-CD1 4.49Å; L102-E127 HydrophobicContact CD1-CG 4.27Å
103R97.6Very high94.2Very high0 Ų051.4 Ų51.40%026%0.264CS..EExtended strand (participates in β ladder)trans-75.5122.6171.7-57.3-178-64.4133.75.8110A106 K108 Y110 N114 E127 R130 N136 L141R103-A106 PolarHBondContact NH1-O 2.64Å; R103-K108 VanDerWaalsContact CD-O 3.26Å; R103-K108 WeakPolarHBondContact CD-O 3.29Å; R103-K108 PolarHBondContact NH1-O 3.19Å; R103-Y110 HydrophobicContact CG-CD1 3.71Å; R103-Y110 HydrophobicContact CG-CD2 4.12Å; R103-Y110 HydrophobicContact CG-CE1 3.41Å; R103-Y110 VanDerWaalsContact CG-CE1 3.41Å; R103-Y110 HydrophobicContact CG-CE2 3.84Å; R103-Y110 HydrophobicContact CG-CG 4.06Å; R103-Y110 VanDerWaalsContact CG-CZ 3.49Å; R103-N114 CarbonylContact C-O 3.52Å; R103-N114 VanDerWaalsContact CA-O 3.32Å; R103-N114 WeakPolarHBondContact CA-O 3.25Å; R103-E127 IonicContact NH2-OE2 3.38Å; R103-R130 PolarHBondContact O-NH1 2.77Å; R103-R130 PolarHBondContact O-NH2 3.15Å; R103-N136 PolarHBondContact NH2-OD1 3.27Å; R103-L141 VanDerWaalsContact NH1-CD2 3.31Å
104L97.3Very high94.3Very high21 Ų2151.1 Ų51.111%0.1126%0.262CS..SBendtrans-67.2-51.4177.9-67175.2000110V67 I68 E70 N114 C116 R130V67-L104 WeakPolarHBondContact CA-O 3.25Å; I68-L104 PolarHBondContact N-O 2.77Å; I68-L104 WeakPolarHBondContact O-CD2 3.28Å; E70-L104 HydrophobicContact CB-CD1 4.37Å; E70-L104 HydrophobicContact CB-CD2 4.22Å; L104-N114 PolarHBondContact N-O 2.71Å; L104-C116 HydrophobicContact CD2-CB 4.05Å; L104-C116 VanDerWaalsContact CD2-SG 3.51Å; L104-C116 HydrophobicContact CG-CB 4.5Å; L104-R130 PolarHBondContact O-NH2 2.95Å
105D96.9Very high94.5Very high20 Ų2044.9 Ų44.911%0.10724%0.235CC..BIsolated β-bridgetrans-95.7114169.5-174.1-21.6000110.1V67 S107 K108 N114V67-D105 HydrophobicContact CG2-CB 4.35Å; D105-S107 VanDerWaalsContact CG-OG 3.31Å; D105-S107 PolarHBondContact O-N 3.27Å; D105-S107 VanDerWaalsContact OD1-CB 3.3Å; D105-S107 WeakPolarHBondContact OD1-CB 3.5Å; D105-S107 PolarHBondContact OD1-N 2.57Å; D105-S107 PolarHBondContact OD1-OG 3.27Å; D105-S107 PolarHBondContact OD2-OG 3.41Å; D105-K108 HydrophobicContact CB-CB 4.3Å; D105-K108 HydrophobicContact CB-CD 4.12Å; D105-K108 HydrophobicContact CB-CG 4.29Å; D105-K108 PolarHBondContact O-N 3.17Å; D105-K108 WeakPolarHBondContact OD2-CD 3.35Å; D105-K108 WeakPolarHBondContact OD2-CE 3.45Å; D105-K108 IonicContact OD2-NZ 2.57Å; D105-K108 PolarHBondContact OD2-NZ 3.02Å; D105-N114 WeakPolarHBondContact CA-OD1 3.39Å; D105-N114 WeakPolarHBondContact CB-OD1 3.34Å; D105-N114 PolarHBondContact N-OD1 3.05Å; D105-N114 PolarHBondContact O-ND2 3.02Å; D105-N114 VanDerWaalsContact O-ND2 3.16Å
106A97Very high94.6Very high2 Ų241.7 Ų41.72%0.01722%0.218CC..THydrogen-bonded Turntrans-66.5-17.6-178.900000113.4D66 R103 K108 I135 L141D66-A106 WeakPolarHBondContact O-CB 3.24Å; D66-A106 PolarHBondContact O-N 3.3Å; R103-A106 PolarHBondContact NH1-O 2.64Å; A106-K108 VanDerWaalsContact C-N 3.29Å; A106-I135 HydrophobicContact CB-CG2 3.69Å; A106-L141 WeakPolarHBondContact O-CD2 3.43Å
107S94.9Very high94.7Very high66 Ų6645.7 Ų45.746%0.46224%0.239SC..THydrogen-bonded Turntrans-82.9-7.3177.8740000113.3D105 I144D105-S107 VanDerWaalsContact CG-OG 3.31Å; D105-S107 PolarHBondContact O-N 3.27Å; D105-S107 VanDerWaalsContact OD1-CB 3.3Å; D105-S107 WeakPolarHBondContact OD1-CB 3.5Å; D105-S107 PolarHBondContact OD1-N 2.57Å; D105-S107 PolarHBondContact OD1-OG 3.27Å; D105-S107 PolarHBondContact OD2-OG 3.41Å; S107-I144 WeakPolarHBondContact O-CD1 3.48Å
108K94.8Very high94.9Very high90 Ų9041.5 Ų41.539%0.39122%0.217SC..SBendtrans-116.6167.9-173.5-69.7-175.8-173.1132.20112R103 D105 A106 F111 N114 I144R103-K108 VanDerWaalsContact CD-O 3.26Å; R103-K108 WeakPolarHBondContact CD-O 3.29Å; R103-K108 PolarHBondContact NH1-O 3.19Å; D105-K108 HydrophobicContact CB-CB 4.3Å; D105-K108 HydrophobicContact CB-CD 4.12Å; D105-K108 HydrophobicContact CB-CG 4.29Å; D105-K108 PolarHBondContact O-N 3.17Å; D105-K108 WeakPolarHBondContact OD2-CD 3.35Å; D105-K108 WeakPolarHBondContact OD2-CE 3.45Å; D105-K108 IonicContact OD2-NZ 2.57Å; D105-K108 PolarHBondContact OD2-NZ 3.02Å; A106-K108 VanDerWaalsContact C-N 3.29Å; K108-F111 HydrophobicContact CB-CE1 3.96Å; K108-F111 HydrophobicContact CB-CZ 4.44Å; K108-F111 HydrophobicContact CD-CE1 4.12Å; K108-F111 HydrophobicContact CD-CZ 3.84Å; K108-N114 VanDerWaalsContact CB-ND2 3.34Å; K108-N114 WeakPolarHBondContact CB-ND2 3.27Å; K108-I144 VanDerWaalsContact C-CD1 3.43Å; K108-I144 VanDerWaalsContact CA-CD1 3.44Å
109G93Very high95Very high12 Ų1239.4 Ų39.412%0.12421%0.211CC..  trans-83.4-170.7176.900000113.3N114 I144G109-N114 PolarHBondContact O-ND2 2.83Å; G109-I144 VanDerWaalsContact N-CD1 3.33Å
110Y93.9Very high95.2Very high52 Ų5242.3 Ų42.320%0.20422%0.221CC..  trans-85.4113171.4-71.6-80.1000110.5A27 F31 L101 R103 T115A27-Y110 HydrophobicContact CB-CD1 3.99Å; A27-Y110 HydrophobicContact CB-CD2 3.91Å; A27-Y110 HydrophobicContact CB-CE1 3.88Å; A27-Y110 HydrophobicContact CB-CE2 3.79Å; A27-Y110 HydrophobicContact CB-CG 3.99Å; A27-Y110 VanDerWaalsContact O-CE2 3.31Å; A27-Y110 WeakPolarHBondContact O-CE2 3.34Å; F31-Y110 HydrophobicContact CB-CD2 4.09Å; F31-Y110 HydrophobicContact CB-CE2 3.98Å; F31-Y110 HydrophobicContact CD2-CD2 4.31Å; F31-Y110 HydrophobicContact CD2-CE2 4.27Å; F31-Y110 HydrophobicContact CG-CD2 4.28Å; F31-Y110 HydrophobicContact CG-CE2 4.42Å; L101-Y110 HydrophobicContact CB-CD1 4.07Å; L101-Y110 HydrophobicContact CB-CE1 3.75Å; L101-Y110 WeakPolarHBondContact O-CE1 3.25Å; L101-Y110 PolarHBondContact O-OH 3.01Å; R103-Y110 HydrophobicContact CG-CD1 3.71Å; R103-Y110 HydrophobicContact CG-CD2 4.12Å; R103-Y110 HydrophobicContact CG-CE1 3.41Å; R103-Y110 VanDerWaalsContact CG-CE1 3.41Å; R103-Y110 HydrophobicContact CG-CE2 3.84Å; R103-Y110 HydrophobicContact CG-CG 4.06Å; R103-Y110 VanDerWaalsContact CG-CZ 3.49Å; Y110-T115 HydrophobicContact CD1-CG2 3.82Å; Y110-T115 HydrophobicContact CE1-CG2 4.34Å
111F92.3Very high95.3Very high84 Ų8442.2 Ų42.237%0.36822%0.221SC..  trans-147.6161.3168.956.4-97.1000109.2K108 E113 N114 T115K108-F111 HydrophobicContact CB-CE1 3.96Å; K108-F111 HydrophobicContact CB-CZ 4.44Å; K108-F111 HydrophobicContact CD-CE1 4.12Å; K108-F111 HydrophobicContact CD-CZ 3.84Å; F111-E113 VanDerWaalsContact C-N 3.29Å; F111-E113 HydrophobicContact CD2-CB 4.14Å; F111-E113 VanDerWaalsContact CD2-OE2 3.29Å; F111-E113 WeakPolarHBondContact CD2-OE2 3.44Å; F111-E113 HydrophobicContact CE2-CB 4.03Å; F111-E113 PolarHBondContact O-N 3.24Å; F111-E113 VanDerWaalsContact O-N 3.14Å; F111-N114 HydrophobicContact CD1-CB 3.98Å; F111-N114 HydrophobicContact CD2-CB 3.71Å; F111-N114 HydrophobicContact CE1-CB 3.63Å; F111-N114 HydrophobicContact CE2-CB 3.33Å; F111-N114 HydrophobicContact CG-CB 4.04Å; F111-N114 HydrophobicContact CZ-CB 3.29Å; F111-N114 CarbonylContact O-C 3.52Å; F111-N114 PolarHBondContact O-N 3.41Å; F111-T115 PolarHBondContact N-OG1 3.03Å; F111-T115 WeakPolarHBondContact O-CB 3.23Å; F111-T115 PolarHBondContact O-N 3.47Å; F111-T115 VanDerWaalsContact O-N 3.15Å; F111-T115 PolarHBondContact O-OG1 3.02Å
112P90.7Very high95.3Very high109 Ų10941.5 Ų41.571%0.70822%0.217SC*.G310 helixtrans-52.6-41.8-167.2-29.436.8000114.4N114P112-N114 VanDerWaalsContact C-N 3.32Å; P112-N114 PolarHBondContact O-N 2.7Å
113E92.4Very high95.3Very high152 Ų15241.6 Ų41.671%0.7122%0.217SC*.G310 helixtrans-79.3-13.8-177.4-55.373.3-154.500113.7F111F111-E113 VanDerWaalsContact C-N 3.29Å; F111-E113 HydrophobicContact CD2-CB 4.14Å; F111-E113 VanDerWaalsContact CD2-OE2 3.29Å; F111-E113 WeakPolarHBondContact CD2-OE2 3.44Å; F111-E113 HydrophobicContact CE2-CB 4.03Å; F111-E113 PolarHBondContact O-N 3.24Å; F111-E113 VanDerWaalsContact O-N 3.14Å
114N95.8Very high95.3Very high7 Ų741.8 Ų41.84%0.03722%0.218CC..G310 helixtrans-111.712.8179.1-168.952.7000113.1R103 L104 D105 K108 G109 F111 P112R103-N114 CarbonylContact C-O 3.52Å; R103-N114 VanDerWaalsContact CA-O 3.32Å; R103-N114 WeakPolarHBondContact CA-O 3.25Å; L104-N114 PolarHBondContact N-O 2.71Å; D105-N114 WeakPolarHBondContact CA-OD1 3.39Å; D105-N114 WeakPolarHBondContact CB-OD1 3.34Å; D105-N114 PolarHBondContact N-OD1 3.05Å; D105-N114 PolarHBondContact O-ND2 3.02Å; D105-N114 VanDerWaalsContact O-ND2 3.16Å; K108-N114 VanDerWaalsContact CB-ND2 3.34Å; K108-N114 WeakPolarHBondContact CB-ND2 3.27Å; G109-N114 PolarHBondContact O-ND2 2.83Å; F111-N114 HydrophobicContact CD1-CB 3.98Å; F111-N114 HydrophobicContact CD2-CB 3.71Å; F111-N114 HydrophobicContact CE1-CB 3.63Å; F111-N114 HydrophobicContact CE2-CB 3.33Å; F111-N114 HydrophobicContact CG-CB 4.04Å; F111-N114 HydrophobicContact CZ-CB 3.29Å; F111-N114 CarbonylContact O-C 3.52Å; F111-N114 PolarHBondContact O-N 3.41Å; P112-N114 VanDerWaalsContact C-N 3.32Å; P112-N114 PolarHBondContact O-N 2.7Å
115T95.3Very high95.3Very high26 Ų2640.8 Ų40.816%0.1621%0.213CC..EExtended strand (participates in β ladder)trans-129.6134.2-173.7-520000110.4L101 L102 Y110 F111L101-T115 HydrophobicContact CB-CG2 3.62Å; L101-T115 HydrophobicContact CD1-CG2 4.14Å; L101-T115 HydrophobicContact CD2-CG2 3.86Å; L101-T115 HydrophobicContact CG-CG2 4.04Å; L102-T115 WeakPolarHBondContact O-CA 3.46Å; Y110-T115 HydrophobicContact CD1-CG2 3.82Å; Y110-T115 HydrophobicContact CE1-CG2 4.34Å; F111-T115 PolarHBondContact N-OG1 3.03Å; F111-T115 WeakPolarHBondContact O-CB 3.23Å; F111-T115 PolarHBondContact O-N 3.47Å; F111-T115 VanDerWaalsContact O-N 3.15Å; F111-T115 PolarHBondContact O-OG1 3.02Å
116C95.1Very high95.4Very high5 Ų539.8 Ų39.83%0.03421%0.208CC..EExtended strand (participates in β ladder)trans-129157.4168.969.50000110.8E70 L102 L104E70-C116 HydrophobicContact CG-CB 4.2Å; E70-C116 WeakPolarHBondContact OE1-CB 3.16Å; L102-C116 PolarHBondContact N-O 2.75Å; L102-C116 PolarHBondContact O-N 2.74Å; L104-C116 HydrophobicContact CD2-CB 4.05Å; L104-C116 VanDerWaalsContact CD2-SG 3.51Å; L104-C116 HydrophobicContact CG-CB 4.5Å
117I94.3Very high95.4Very high103 Ų10339.7 Ų39.753%0.52821%0.207SC..EExtended strand (participates in β ladder)trans-87.3126.8174.6-59.5173.3000108.5W19 T100 L101W19-I117 HydrophobicContact CZ3-CG2 4.19Å; T100-I117 WeakPolarHBondContact O-CA 3.42Å; L101-I117 HydrophobicContact CD2-CG1 3.88Å
118V95.4Very high95.6Very high5 Ų536.7 Ų36.73%0.0319%0.186CC..EExtended strand (participates in β ladder)trans-131.5156.6173.3-61.80000110.2L73 T100 L102 Q122 F123L73-V118 HydrophobicContact CD1-CG1 4.04Å; T100-V118 PolarHBondContact N-O 3.23Å; T100-V118 PolarHBondContact O-N 2.73Å; T100-V118 VanDerWaalsContact O-O 3.11Å; L102-V118 HydrophobicContact CB-CG1 4.25Å; L102-V118 HydrophobicContact CB-CG2 3.69Å; L102-V118 HydrophobicContact CD2-CG1 4.01Å; L102-V118 HydrophobicContact CD2-CG2 4.37Å; V118-Q122 HydrophobicContact CB-CB 4.2Å; V118-Q122 HydrophobicContact CB-CG 3.98Å; V118-Q122 HydrophobicContact CG1-CG 4.26Å; V118-Q122 HydrophobicContact CG2-CG 4.4Å; V118-F123 HydrophobicContact CG2-CB 3.79Å
119P95.4Very high95.8Very high40 Ų4032.4 Ų32.426%0.2617%0.167SC..EExtended strand (participates in β ladder)trans-56.4146.3166.4-26.637.5000112.3F98 I121 Q122 F123F98-P119 CarbonylContact O-C 3.4Å; F98-P119 WeakPolarHBondContact O-CA 3.12Å; P119-I121 VanDerWaalsContact C-N 3.25Å; P119-I121 HydrophobicContact CB-CG2 4.42Å; P119-I121 PolarHBondContact O-N 3.25Å; P119-Q122 HydrophobicContact CB-CB 4.41Å; P119-Q122 VanDerWaalsContact CD-OE1 3.25Å; P119-Q122 WeakPolarHBondContact O-CA 3.19Å; P119-Q122 WeakPolarHBondContact O-CB 3.36Å; P119-Q122 PolarHBondContact O-N 2.61Å; P119-F123 PolarHBondContact O-N 2.78Å
120R96.3Very high96Very high64 Ų6431.9 Ų31.924%0.24216%0.161CC..Hα-helixtrans-49.5-43.9179-179.9178.3177.376.3-0.1112.9E94 D95 F96 F98 Q122 F123 L124E94-R120 WeakPolarHBondContact O-CD 3.23Å; E94-R120 PolarHBondContact O-NE 3.34Å; D95-R120 WeakPolarHBondContact O-CB 3.47Å; D95-R120 WeakPolarHBondContact O-CD 3.47Å; F96-R120 PolarHBondContact O-N 3.06Å; F98-R120 PolarHBondContact O-N 3.4Å; R120-Q122 VanDerWaalsContact C-N 3.33Å; R120-Q122 PolarHBondContact O-N 2.75Å; R120-F123 WeakPolarHBondContact O-CB 3.31Å; R120-F123 PolarHBondContact O-N 2.77Å; R120-L124 HydrophobicContact CG-CD1 4.13Å; R120-L124 HydrophobicContact CG-CG 4.48Å; R120-L124 WeakPolarHBondContact O-CB 3.38Å; R120-L124 VanDerWaalsContact O-CG 3.28Å; R120-L124 WeakPolarHBondContact O-CG 3.46Å; R120-L124 PolarHBondContact O-N 3.2Å
121I97.8Very high96.2Very high0 Ų029.6 Ų29.60%015%0.153CC..Hα-helixtrans-67.9-32.8179.7-169.756.3000113.1I52 F85 C86 F89 V93 F96 P119 L124 A125I52-I121 HydrophobicContact CD1-CD1 3.87Å; I52-I121 HydrophobicContact CG1-CD1 4.03Å; I52-I121 HydrophobicContact CG2-CD1 4.46Å; F85-I121 HydrophobicContact CE1-CG1 4.01Å; C86-I121 HydrophobicContact CB-CG2 3.71Å; C86-I121 WeakPolarHBondContact SG-CG2 3.42Å; F89-I121 HydrophobicContact CB-CD1 3.96Å; F89-I121 HydrophobicContact CB-CG1 3.85Å; F89-I121 HydrophobicContact CD1-CD1 4.03Å; F89-I121 HydrophobicContact CD2-CD1 3.75Å; F89-I121 HydrophobicContact CD2-CG1 3.5Å; F89-I121 HydrophobicContact CE1-CD1 4.49Å; F89-I121 HydrophobicContact CE2-CD1 4.23Å; F89-I121 HydrophobicContact CE2-CG1 4.19Å; F89-I121 HydrophobicContact CG-CD1 3.64Å; F89-I121 HydrophobicContact CG-CG1 3.74Å; V93-I121 HydrophobicContact CB-CD1 4.36Å; V93-I121 HydrophobicContact CG1-CD1 4.38Å; V93-I121 HydrophobicContact CG2-CD1 3.92Å; F96-I121 HydrophobicContact CB-CB 4.13Å; F96-I121 HydrophobicContact CB-CG2 4.39Å; F96-I121 HydrophobicContact CD2-CG2 4.24Å; F96-I121 WeakPolarHBondContact O-CB 3.38Å; F96-I121 VanDerWaalsContact O-CG2 3.25Å; F96-I121 WeakPolarHBondContact O-CG2 3.48Å; F96-I121 PolarHBondContact O-N 2.89Å; P119-I121 VanDerWaalsContact C-N 3.25Å; P119-I121 HydrophobicContact CB-CG2 4.42Å; P119-I121 PolarHBondContact O-N 3.25Å; I121-L124 HydrophobicContact CD1-CD1 4.41Å; I121-A125 WeakPolarHBondContact O-CB 3.33Å; I121-A125 PolarHBondContact O-N 2.92Å
122Q96.4Very high96.4Very high13 Ų1328.9 Ų28.96%0.06115%0.148CC..Hα-helixtrans-69.6-42.9173.61761692600110.4W82 V118 P119 R120 A125 L126W82-Q122 HydrophobicContact CD2-CG 4.08Å; W82-Q122 HydrophobicContact CE3-CB 4.07Å; W82-Q122 HydrophobicContact CE3-CG 3.75Å; W82-Q122 HydrophobicContact CH2-CG 3.82Å; W82-Q122 HydrophobicContact CZ2-CG 4.14Å; W82-Q122 HydrophobicContact CZ3-CB 4Å; W82-Q122 HydrophobicContact CZ3-CG 3.63Å; V118-Q122 HydrophobicContact CB-CB 4.2Å; V118-Q122 HydrophobicContact CB-CG 3.98Å; V118-Q122 HydrophobicContact CG1-CG 4.26Å; V118-Q122 HydrophobicContact CG2-CG 4.4Å; P119-Q122 HydrophobicContact CB-CB 4.41Å; P119-Q122 VanDerWaalsContact CD-OE1 3.25Å; P119-Q122 WeakPolarHBondContact O-CA 3.19Å; P119-Q122 WeakPolarHBondContact O-CB 3.36Å; P119-Q122 PolarHBondContact O-N 2.61Å; R120-Q122 VanDerWaalsContact C-N 3.33Å; R120-Q122 PolarHBondContact O-N 2.75Å; Q122-A125 PolarHBondContact O-N 3.16Å; Q122-L126 HydrophobicContact CG-CD1 3.84Å; Q122-L126 WeakPolarHBondContact O-CD1 3.48Å; Q122-L126 VanDerWaalsContact O-CG 3.29Å; Q122-L126 WeakPolarHBondContact O-CG 3.32Å; Q122-L126 PolarHBondContact O-N 3.43Å; Q122-L126 VanDerWaalsContact O-N 3.1Å
123F98Very high96.7Very high2 Ų227.9 Ų27.91%0.00914%0.136CC..Hα-helixtrans-55.6-51.9171.2168.1-89.3000111.3H26 Y30 T100 L101 L102 V118 P119 R120 A125 L126 E127H26-F123 AromaticContact CE1-CD1 3.92Å; H26-F123 AromaticContact CE1-CE1 3.47Å; H26-F123 VanDerWaalsContact CE1-CE1 3.47Å; H26-F123 WeakPolarHBondContact CE1-CE1 3.48Å; H26-F123 AromaticContact CE1-CE2 3.98Å; H26-F123 AromaticContact CE1-CZ 3.5Å; H26-F123 VanDerWaalsContact CE1-CZ 3.5Å; H26-F123 WeakPolarHBondContact CE1-CZ 3.46Å; H26-F123 AromaticContact NE2-CE1 3.95Å; Y30-F123 HydrophobicContact CD1-CE2 4Å; Y30-F123 AromaticContact CD1-CZ 3.5Å; Y30-F123 HydrophobicContact CD1-CZ 3.5Å; Y30-F123 VanDerWaalsContact CD1-CZ 3.5Å; Y30-F123 HydrophobicContact CD2-CE1 4.45Å; Y30-F123 AromaticContact CD2-CZ 3.96Å; Y30-F123 HydrophobicContact CD2-CZ 3.96Å; Y30-F123 HydrophobicContact CE1-CE2 4.09Å; Y30-F123 AromaticContact CE1-CZ 3.61Å; Y30-F123 HydrophobicContact CE1-CZ 3.61Å; Y30-F123 HydrophobicContact CE2-CZ 4.12Å; Y30-F123 AromaticContact CG-CZ 3.66Å; Y30-F123 HydrophobicContact CG-CZ 3.66Å; Y30-F123 AromaticContact CZ-CZ 3.95Å; T100-F123 HydrophobicContact CG2-CB 3.68Å; T100-F123 HydrophobicContact CG2-CD1 3.91Å; T100-F123 HydrophobicContact CG2-CD2 3.47Å; T100-F123 VanDerWaalsContact CG2-CD2 3.47Å; T100-F123 HydrophobicContact CG2-CE1 4.47Å; T100-F123 HydrophobicContact CG2-CE2 4.06Å; T100-F123 HydrophobicContact CG2-CG 3.39Å; L101-F123 WeakPolarHBondContact O-CD2 3.21Å; L101-F123 WeakPolarHBondContact O-CE2 3.36Å; L102-F123 HydrophobicContact CD1-CD2 4.22Å; V118-F123 HydrophobicContact CG2-CB 3.79Å; P119-F123 PolarHBondContact O-N 2.78Å; R120-F123 WeakPolarHBondContact O-CB 3.31Å; R120-F123 PolarHBondContact O-N 2.77Å; F123-A125 PolarHBondContact O-N 2.86Å; F123-L126 PolarHBondContact O-N 2.97Å; F123-E127 HydrophobicContact CD2-CG 3.99Å; F123-E127 HydrophobicContact CE1-CB 4.4Å; F123-E127 HydrophobicContact CE1-CG 4.25Å; F123-E127 HydrophobicContact CE2-CG 3.57Å; F123-E127 HydrophobicContact CG-CG 4.5Å; F123-E127 HydrophobicContact CZ-CB 4.28Å; F123-E127 HydrophobicContact CZ-CG 3.7Å; F123-E127 WeakPolarHBondContact O-CB 3.26Å; F123-E127 PolarHBondContact O-N 3.35Å
124L98.3Very high96.8Very high4 Ų423.1 Ų23.12%0.02113%0.128CC..Hα-helixtrans-57.8-48.3179.9-73.8169.9000111.2L45 T46 I52 V93 R120 I121 L126 E127 I128L45-L124 HydrophobicContact CB-CD2 3.67Å; L45-L124 HydrophobicContact CD1-CD2 4.04Å; T46-L124 HydrophobicContact CG2-CD1 3.56Å; T46-L124 HydrophobicContact CG2-CD2 3.76Å; T46-L124 HydrophobicContact CG2-CG 4.28Å; I52-L124 HydrophobicContact CD1-CB 4.49Å; I52-L124 HydrophobicContact CD1-CD1 4.44Å; V93-L124 HydrophobicContact CG1-CD1 3.98Å; R120-L124 HydrophobicContact CG-CD1 4.13Å; R120-L124 HydrophobicContact CG-CG 4.48Å; R120-L124 WeakPolarHBondContact O-CB 3.38Å; R120-L124 VanDerWaalsContact O-CG 3.28Å; R120-L124 WeakPolarHBondContact O-CG 3.46Å; R120-L124 PolarHBondContact O-N 3.2Å; I121-L124 HydrophobicContact CD1-CD1 4.41Å; L124-L126 PolarHBondContact O-N 2.8Å; L124-E127 PolarHBondContact O-N 3.34Å; L124-I128 HydrophobicContact CB-CD1 4.14Å; L124-I128 WeakPolarHBondContact O-CB 3.2Å; L124-I128 VanDerWaalsContact O-CD1 3.24Å; L124-I128 WeakPolarHBondContact O-CD1 3.44Å; L124-I128 WeakPolarHBondContact O-CG1 2.85Å; L124-I128 PolarHBondContact O-N 3.24Å
125A98.2Very high96.9Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-56.8-49.1179.300000112.6I52 F56 W82 F85 I121 Q122 F123 A129I52-A125 HydrophobicContact CG2-CB 3.88Å; F56-A125 HydrophobicContact CB-CB 4.1Å; F56-A125 HydrophobicContact CD2-CB 3.85Å; F56-A125 HydrophobicContact CG-CB 4.04Å; W82-A125 HydrophobicContact CZ3-CB 4.45Å; F85-A125 HydrophobicContact CE1-CB 3.7Å; F85-A125 HydrophobicContact CZ-CB 3.65Å; I121-A125 WeakPolarHBondContact O-CB 3.33Å; I121-A125 PolarHBondContact O-N 2.92Å; Q122-A125 PolarHBondContact O-N 3.16Å; F123-A125 PolarHBondContact O-N 2.86Å; A125-A129 VanDerWaalsContact O-CB 3.32Å; A125-A129 WeakPolarHBondContact O-CB 3.44Å; A125-A129 PolarHBondContact O-N 3.44Å; A125-A129 VanDerWaalsContact O-N 3.1Å
126L97.9Very high97Very high0 Ų024.2 Ų24.20%013%0.132CC..Hα-helixtrans-68.8-44.4-177.7-66.8167.1000111.9F56 V63 L65 I68 W82 L102 Q122 F123 L124 A129 R130F56-L126 HydrophobicContact CE2-CD2 3.79Å; F56-L126 HydrophobicContact CZ-CD2 3.71Å; V63-L126 HydrophobicContact CG1-CD2 4.43Å; L65-L126 HydrophobicContact CD2-CD2 3.63Å; I68-L126 HydrophobicContact CD1-CD1 4.12Å; I68-L126 HydrophobicContact CD1-CD2 3.94Å; I68-L126 HydrophobicContact CD1-CG 4.44Å; W82-L126 HydrophobicContact CH2-CD1 4.29Å; W82-L126 HydrophobicContact CH2-CD2 4.05Å; W82-L126 HydrophobicContact CH2-CG 4.02Å; W82-L126 HydrophobicContact CZ2-CD1 4.38Å; W82-L126 HydrophobicContact CZ2-CD2 4.15Å; W82-L126 HydrophobicContact CZ2-CG 4.42Å; L102-L126 HydrophobicContact CD1-CB 4.2Å; L102-L126 HydrophobicContact CD1-CD1 4.27Å; L102-L126 HydrophobicContact CD2-CD1 3.42Å; L102-L126 VanDerWaalsContact CD2-CD1 3.42Å; L102-L126 HydrophobicContact CG-CD1 4.49Å; Q122-L126 HydrophobicContact CG-CD1 3.84Å; Q122-L126 WeakPolarHBondContact O-CD1 3.48Å; Q122-L126 VanDerWaalsContact O-CG 3.29Å; Q122-L126 WeakPolarHBondContact O-CG 3.32Å; Q122-L126 PolarHBondContact O-N 3.43Å; Q122-L126 VanDerWaalsContact O-N 3.1Å; F123-L126 PolarHBondContact O-N 2.97Å; L124-L126 PolarHBondContact O-N 2.8Å; L126-A129 PolarHBondContact O-N 2.71Å; L126-R130 WeakPolarHBondContact O-CB 3.32Å; L126-R130 VanDerWaalsContact O-CG 3.3Å; L126-R130 WeakPolarHBondContact O-CG 3.25Å; L126-R130 PolarHBondContact O-N 2.7Å
127E98.1Very high96.9Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-74.9-36.4-178-77.9-57.9130.100113.2Y30 L45 L102 R103 F123 L124 A129 R130 N131 N136Y30-E127 HydrophobicContact CE1-CB 4.36Å; Y30-E127 HydrophobicContact CE1-CG 3.76Å; Y30-E127 WeakPolarHBondContact CE1-OE2 3.32Å; Y30-E127 VanDerWaalsContact CZ-OE2 3.26Å; Y30-E127 VanDerWaalsContact OH-CB 3.31Å; Y30-E127 WeakPolarHBondContact OH-CB 3.3Å; Y30-E127 PolarHBondContact OH-OE2 3.4Å; L45-E127 HydrophobicContact CD1-CB 4.29Å; L102-E127 HydrophobicContact CD1-CG 4.27Å; R103-E127 IonicContact NH2-OE2 3.38Å; F123-E127 HydrophobicContact CD2-CG 3.99Å; F123-E127 HydrophobicContact CE1-CB 4.4Å; F123-E127 HydrophobicContact CE1-CG 4.25Å; F123-E127 HydrophobicContact CE2-CG 3.57Å; F123-E127 HydrophobicContact CG-CG 4.5Å; F123-E127 HydrophobicContact CZ-CB 4.28Å; F123-E127 HydrophobicContact CZ-CG 3.7Å; F123-E127 WeakPolarHBondContact O-CB 3.26Å; F123-E127 PolarHBondContact O-N 3.35Å; L124-E127 PolarHBondContact O-N 3.34Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 3.36Å; E127-R130 PolarHBondContact O-N 3.44Å; E127-R130 WeakPolarHBondContact OE1-CD 3.43Å; E127-R130 IonicContact OE1-CZ 2.77Å; E127-R130 IonicContact OE1-NE 3.77Å; E127-R130 IonicContact OE1-NH1 2.71Å; E127-R130 PolarHBondContact OE1-NH1 3.43Å; E127-N131 VanDerWaalsContact O-CB 3.28Å; E127-N131 WeakPolarHBondContact O-CB 3.34Å; E127-N131 PolarHBondContact O-N 2.77Å; E127-N131 PolarHBondContact O-ND2 2.86Å; E127-N136 PolarHBondContact OE2-ND2 3.13Å
128I98.3Very high96.9Very high3 Ų321.8 Ų21.82%0.01512%0.12CC..Hα-helixtrans-60.7-44170.6-67.9162.9000109.6L45 D49 I52 F53 L124 N131 R132L45-I128 HydrophobicContact CB-CG1 4.4Å; L45-I128 HydrophobicContact CD1-CG1 3.93Å; L45-I128 HydrophobicContact CG-CG1 4.24Å; D49-I128 HydrophobicContact CB-CD1 3.96Å; D49-I128 HydrophobicContact CB-CG1 4.48Å; D49-I128 HydrophobicContact CB-CG2 4.34Å; D49-I128 VanDerWaalsContact CG-CD1 3.49Å; D49-I128 VanDerWaalsContact OD1-CD1 3.25Å; D49-I128 WeakPolarHBondContact OD1-CD1 3.1Å; I52-I128 HydrophobicContact CB-CD1 4.22Å; I52-I128 HydrophobicContact CD1-CD1 4.21Å; I52-I128 HydrophobicContact CG2-CD1 4Å; F53-I128 HydrophobicContact CB-CG2 3.98Å; F53-I128 HydrophobicContact CD2-CG2 4.28Å; L124-I128 HydrophobicContact CB-CD1 4.14Å; L124-I128 WeakPolarHBondContact O-CB 3.2Å; L124-I128 VanDerWaalsContact O-CD1 3.24Å; L124-I128 WeakPolarHBondContact O-CD1 3.44Å; L124-I128 WeakPolarHBondContact O-CG1 2.85Å; L124-I128 PolarHBondContact O-N 3.24Å; I128-N131 PolarHBondContact O-N 2.89Å; I128-R132 HydrophobicContact CG2-CG 4.39Å; I128-R132 VanDerWaalsContact CG2-NE 3.3Å; I128-R132 WeakPolarHBondContact O-CB 3.15Å; I128-R132 WeakPolarHBondContact O-CG 3.49Å; I128-R132 PolarHBondContact O-N 3.05Å
129A98Very high96.7Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-63.4-46.517700000111.8F53 F56 L65 A125 L126 E127 N131 R132 L133F53-A129 HydrophobicContact CD2-CB 4.18Å; F53-A129 HydrophobicContact CE2-CB 4.12Å; F56-A129 HydrophobicContact CD1-CB 3.75Å; F56-A129 HydrophobicContact CE1-CB 3.62Å; L65-A129 HydrophobicContact CD1-CB 3.7Å; L65-A129 HydrophobicContact CD2-CB 4.42Å; A125-A129 VanDerWaalsContact O-CB 3.32Å; A125-A129 WeakPolarHBondContact O-CB 3.44Å; A125-A129 PolarHBondContact O-N 3.44Å; A125-A129 VanDerWaalsContact O-N 3.1Å; L126-A129 PolarHBondContact O-N 2.71Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 3.36Å; A129-N131 VanDerWaalsContact C-N 3.29Å; A129-N131 PolarHBondContact O-N 3.16Å; A129-R132 PolarHBondContact O-N 2.58Å; A129-L133 VanDerWaalsContact O-CB 3.25Å; A129-L133 WeakPolarHBondContact O-CB 3.34Å; A129-L133 VanDerWaalsContact O-CG 3.25Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 3.19Å
130R98.2Very high96.5Very high0 Ų032.7 Ų32.70%017%0.165CC..Hα-helixtrans-57.5-40.6174.9-76.3170.5166.8179.2-7.4112.9L65 I68 R103 L104 L126 E127 G134 I135 N136L65-R130 HydrophobicContact CB-CG 4.26Å; L65-R130 VanDerWaalsContact O-CZ 3.3Å; L65-R130 PolarHBondContact O-NE 2.85Å; L65-R130 PolarHBondContact O-NH2 3.14Å; I68-R130 VanDerWaalsContact CD1-NH2 3.33Å; R103-R130 PolarHBondContact O-NH1 2.77Å; R103-R130 PolarHBondContact O-NH2 3.15Å; L104-R130 PolarHBondContact O-NH2 2.95Å; L126-R130 WeakPolarHBondContact O-CB 3.32Å; L126-R130 VanDerWaalsContact O-CG 3.3Å; L126-R130 WeakPolarHBondContact O-CG 3.25Å; L126-R130 PolarHBondContact O-N 2.7Å; E127-R130 PolarHBondContact O-N 3.44Å; E127-R130 WeakPolarHBondContact OE1-CD 3.43Å; E127-R130 IonicContact OE1-CZ 2.77Å; E127-R130 IonicContact OE1-NE 3.77Å; E127-R130 IonicContact OE1-NH1 2.71Å; E127-R130 PolarHBondContact OE1-NH1 3.43Å; R130-G134 PolarHBondContact O-N 3.25Å; R130-I135 HydrophobicContact CB-CB 4.12Å; R130-I135 HydrophobicContact CB-CG2 4.47Å; R130-I135 HydrophobicContact CG-CB 4.17Å; R130-I135 HydrophobicContact CG-CD1 4.38Å; R130-I135 HydrophobicContact CG-CG2 4.09Å; R130-I135 PolarHBondContact O-N 2.74Å; R130-N136 WeakPolarHBondContact CB-ND2 2.98Å; R130-N136 PolarHBondContact O-N 3.23Å
131N98.2Very high96.3Very high5 Ų529.7 Ų29.73%0.02715%0.154CC..Hα-helixtrans-66.7-48178.6-75-18.3000111.9Y30 L34 P40 S41 E127 I128 A129 G134 N136Y30-N131 PolarHBondContact OH-ND2 3.11Å; L34-N131 WeakPolarHBondContact CD2-OD1 3.48Å; P40-N131 HydrophobicContact CB-CB 4.01Å; P40-N131 WeakPolarHBondContact CB-OD1 3.35Å; P40-N131 WeakPolarHBondContact O-CB 3.3Å; S41-N131 WeakPolarHBondContact CA-O 3.46Å; S41-N131 PolarHBondContact N-O 2.86Å; E127-N131 VanDerWaalsContact O-CB 3.28Å; E127-N131 WeakPolarHBondContact O-CB 3.34Å; E127-N131 PolarHBondContact O-N 2.77Å; E127-N131 PolarHBondContact O-ND2 2.86Å; I128-N131 PolarHBondContact O-N 2.89Å; A129-N131 VanDerWaalsContact C-N 3.29Å; A129-N131 PolarHBondContact O-N 3.16Å; N131-G134 PolarHBondContact O-N 2.75Å; N131-N136 WeakPolarHBondContact OD1-CB 3.02Å; N131-N136 PolarHBondContact OD1-ND2 3.22Å
132R96.8Very high96Very high68 Ų6834.9 Ų34.926%0.25718%0.177SC..Hα-helixtrans-70.9-34.2-178.9-69.3179.9-171.5-141.1-3.8113.3D49 D50 F53 I128 A129 G134D49-R132 VanDerWaalsContact C-NH2 3.29Å; D49-R132 VanDerWaalsContact CB-NH2 3.33Å; D49-R132 PolarHBondContact O-NH2 3.44Å; D50-R132 IonicContact OD1-CZ 3.01Å; D50-R132 IonicContact OD1-NH1 3.3Å; D50-R132 PolarHBondContact OD1-NH1 2.89Å; D50-R132 IonicContact OD1-NH2 3.83Å; D50-R132 PolarHBondContact OD1-NH2 2.88Å; F53-R132 HydrophobicContact CD2-CB 4.49Å; F53-R132 HydrophobicContact CE2-CB 4.02Å; F53-R132 HydrophobicContact CZ-CB 4.33Å; I128-R132 HydrophobicContact CG2-CG 4.39Å; I128-R132 VanDerWaalsContact CG2-NE 3.3Å; I128-R132 WeakPolarHBondContact O-CB 3.15Å; I128-R132 WeakPolarHBondContact O-CG 3.49Å; I128-R132 PolarHBondContact O-N 3.05Å; A129-R132 PolarHBondContact O-N 2.58Å; R132-G134 VanDerWaalsContact C-N 3.29Å
133L95.8Very high95.5Very high88 Ų8841.3 Ų41.346%0.46121%0.207SC..THydrogen-bonded Turntrans-86.52.9179.6-61.5173.7000113M57 L65 A129 I135M57-L133 HydrophobicContact CE-CD1 4.45Å; M57-L133 HydrophobicContact SD-CD1 4.39Å; L65-L133 HydrophobicContact CD1-CD1 3.6Å; A129-L133 VanDerWaalsContact O-CB 3.25Å; A129-L133 WeakPolarHBondContact O-CB 3.34Å; A129-L133 VanDerWaalsContact O-CG 3.25Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 3.19Å; L133-I135 VanDerWaalsContact C-N 3.26Å; L133-I135 HydrophobicContact CB-CD1 4.29Å; L133-I135 HydrophobicContact CB-CG1 4.26Å; L133-I135 PolarHBondContact O-N 3.26Å
134G95.3Very high94.8Very high53 Ų5344.9 Ų44.955%0.54623%0.225SC..THydrogen-bonded Turntrans71.117.7176.200000114.7R130 N131 R132R130-G134 PolarHBondContact O-N 3.25Å; N131-G134 PolarHBondContact O-N 2.75Å; R132-G134 VanDerWaalsContact C-N 3.29Å
135I97.1Very high93.4Very high52 Ų5249 Ų4927%0.26725%0.245SC..  trans-72.8-43.4177.2-61.6174.7000109.6L65 D66 A106 R130 L133 N137L65-I135 HydrophobicContact CB-CD1 3.26Å; L65-I135 HydrophobicContact CD1-CD1 4.06Å; L65-I135 HydrophobicContact CG-CD1 4.33Å; D66-I135 HydrophobicContact CB-CG2 4.18Å; A106-I135 HydrophobicContact CB-CG2 3.69Å; R130-I135 HydrophobicContact CB-CB 4.12Å; R130-I135 HydrophobicContact CB-CG2 4.47Å; R130-I135 HydrophobicContact CG-CB 4.17Å; R130-I135 HydrophobicContact CG-CD1 4.38Å; R130-I135 HydrophobicContact CG-CG2 4.09Å; R130-I135 PolarHBondContact O-N 2.74Å; L133-I135 VanDerWaalsContact C-N 3.26Å; L133-I135 HydrophobicContact CB-CD1 4.29Å; L133-I135 HydrophobicContact CB-CG1 4.26Å; L133-I135 PolarHBondContact O-N 3.26Å; I135-N137 PolarHBondContact O-N 3.15Å
136N97.3Very high91.4Very high3 Ų355.1 Ų55.12%0.01631%0.307CS..SBendtrans-71.1116.3169.3-79.8-26.3000109.2L34 P40 R103 E127 R130 N131L34-N136 HydrophobicContact CD2-CB 4.19Å; P40-N136 HydrophobicContact CB-CB 4.47Å; R103-N136 PolarHBondContact NH2-OD1 3.27Å; E127-N136 PolarHBondContact OE2-ND2 3.13Å; R130-N136 WeakPolarHBondContact CB-ND2 2.98Å; R130-N136 PolarHBondContact O-N 3.23Å; N131-N136 WeakPolarHBondContact OD1-CB 3.02Å; N131-N136 PolarHBondContact OD1-ND2 3.22Å
137N94.7Very high91Very high50 Ų5057.9 Ų57.927%0.26732%0.323SS..  trans-119.6104.9179.3-177-49000109.8I135 E139 K140 L141I135-N137 PolarHBondContact O-N 3.15Å; N137-E139 VanDerWaalsContact C-N 3.28Å; N137-E139 PolarHBondContact O-N 3.29Å; N137-E139 WeakPolarHBondContact OD1-CB 3.25Å; N137-E139 PolarHBondContact OD1-N 3.09Å; N137-E139 VanDerWaalsContact OD1-N 3.08Å; N137-K140 HydrophobicContact CB-CB 4.22Å; N137-K140 HydrophobicContact CB-CD 4.14Å; N137-K140 HydrophobicContact CB-CG 4.19Å; N137-K140 PolarHBondContact O-N 3.01Å; N137-K140 VanDerWaalsContact O-N 3.16Å; N137-K140 PolarHBondContact OD1-N 3.08Å; N137-K140 VanDerWaalsContact OD1-N 3.09Å; N137-L141 WeakPolarHBondContact O-CG 3.21Å; N137-L141 PolarHBondContact O-N 3.22Å
138P93.1Very high90.7Very high8 Ų860.9 Ų60.95%0.05234%0.34CS..Hα-helixtrans-59.2-36-176-27.737.4000113.7L34 V37 P40 K140 L141 K142L34-P138 VanDerWaalsContact O-CB 3.3Å; L34-P138 WeakPolarHBondContact O-CB 3.35Å; L34-P138 WeakPolarHBondContact O-CG 3.38Å; V37-P138 HydrophobicContact CG2-CG 4.16Å; V37-P138 WeakPolarHBondContact O-CB 3.3Å; V37-P138 WeakPolarHBondContact O-CG 2.65Å; P40-P138 HydrophobicContact CG-CG 3.39Å; P138-K140 VanDerWaalsContact C-N 3.32Å; P138-K140 PolarHBondContact O-N 3.16Å; P138-L141 PolarHBondContact O-N 2.92Å; P138-K142 VanDerWaalsContact O-CG 3.25Å; P138-K142 WeakPolarHBondContact O-CG 3.32Å; P138-K142 PolarHBondContact O-N 3.48Å
139E91.9Very high90.2Very high141 Ų14164.2 Ų64.266%0.65936%0.358SS*.Hα-helixtrans-65.8-36.9-179.9-61.2-179.4102.500111.8N137 Q143N137-E139 VanDerWaalsContact C-N 3.28Å; N137-E139 PolarHBondContact O-N 3.29Å; N137-E139 WeakPolarHBondContact OD1-CB 3.25Å; N137-E139 PolarHBondContact OD1-N 3.09Å; N137-E139 VanDerWaalsContact OD1-N 3.08Å; E139-Q143 WeakPolarHBondContact O-CG 3.46Å; E139-Q143 PolarHBondContact O-NE2 3.33Å
140K91.5Very high89.8Confident132 Ų13267.9 Ų67.957%0.57438%0.379SS*.Hα-helixtrans-72-40.9173.2-67.1-175.8-179.9-179.30111.7N137 P138 Q143N137-K140 HydrophobicContact CB-CB 4.22Å; N137-K140 HydrophobicContact CB-CD 4.14Å; N137-K140 HydrophobicContact CB-CG 4.19Å; N137-K140 PolarHBondContact O-N 3.01Å; N137-K140 VanDerWaalsContact O-N 3.16Å; N137-K140 PolarHBondContact OD1-N 3.08Å; N137-K140 VanDerWaalsContact OD1-N 3.09Å; P138-K140 VanDerWaalsContact C-N 3.32Å; P138-K140 PolarHBondContact O-N 3.16Å; K140-Q143 WeakPolarHBondContact O-CB 3.29Å; K140-Q143 PolarHBondContact O-N 3.27Å
141L92.5Very high89.3Confident2 Ų272.2 Ų72.21%0.0140%0.403CS..Hα-helixtrans-67.7-35.7-178.7-64.7178.4000112.8F31 L34 R103 A106 N137 P138 Q143 I144 E145F31-L141 HydrophobicContact CE2-CB 4.48Å; F31-L141 HydrophobicContact CE2-CD1 4.39Å; F31-L141 HydrophobicContact CE2-CD2 4.14Å; F31-L141 HydrophobicContact CZ-CB 4.48Å; F31-L141 HydrophobicContact CZ-CD2 4.49Å; L34-L141 HydrophobicContact CB-CD1 4.2Å; L34-L141 HydrophobicContact CD1-CD1 4.18Å; R103-L141 VanDerWaalsContact NH1-CD2 3.31Å; A106-L141 WeakPolarHBondContact O-CD2 3.43Å; N137-L141 WeakPolarHBondContact O-CG 3.21Å; N137-L141 PolarHBondContact O-N 3.22Å; P138-L141 PolarHBondContact O-N 2.92Å; L141-Q143 PolarHBondContact O-N 3.4Å; L141-I144 HydrophobicContact CD2-CD1 4.09Å; L141-I144 WeakPolarHBondContact O-CG1 3.46Å; L141-I144 PolarHBondContact O-N 2.73Å; L141-I144 VanDerWaalsContact O-N 3.15Å; L141-E145 PolarHBondContact O-N 3.44Å
142K89.8Confident88.7Confident109 Ų10976.7 Ų76.747%0.47443%0.428SS..Hα-helixtrans-58.9-31173-75.9171.7-171.9178.70113.5C35 P138 I144 E145C35-K142 HydrophobicContact CB-CG 4.23Å; C35-K142 WeakPolarHBondContact O-CE 3.44Å; C35-K142 PolarHBondContact O-NZ 3.23Å; P138-K142 VanDerWaalsContact O-CG 3.25Å; P138-K142 WeakPolarHBondContact O-CG 3.32Å; P138-K142 PolarHBondContact O-N 3.48Å; K142-I144 PolarHBondContact O-N 3.22Å; K142-E145 PolarHBondContact O-N 3.46Å
143Q86.8Confident88.1Confident148 Ų14877.3 Ų77.369%0.69244%0.44SS*.THydrogen-bonded Turntrans-73-14.2-178-66.4168.145.900112.8E139 K140 L141E139-Q143 WeakPolarHBondContact O-CG 3.46Å; E139-Q143 PolarHBondContact O-NE2 3.33Å; K140-Q143 WeakPolarHBondContact O-CB 3.29Å; K140-Q143 PolarHBondContact O-N 3.27Å; L141-Q143 PolarHBondContact O-N 3.4Å
144I83.8Confident87.5Confident76 Ų7676.5 Ų76.539%0.3944%0.438SS..THydrogen-bonded Turntrans-114.7-2.417962.8165.2000113F31 S107 K108 G109 L141 K142F31-I144 HydrophobicContact CZ-CD1 4.3Å; F31-I144 HydrophobicContact CZ-CG1 4.43Å; S107-I144 WeakPolarHBondContact O-CD1 3.48Å; K108-I144 VanDerWaalsContact C-CD1 3.43Å; K108-I144 VanDerWaalsContact CA-CD1 3.44Å; G109-I144 VanDerWaalsContact N-CD1 3.33Å; L141-I144 HydrophobicContact CD2-CD1 4.09Å; L141-I144 WeakPolarHBondContact O-CG1 3.46Å; L141-I144 PolarHBondContact O-N 2.73Å; L141-I144 VanDerWaalsContact O-N 3.15Å; K142-I144 PolarHBondContact O-N 3.22Å
145E69.3Low86.8Confident92 Ų9278.4 Ų78.443%0.4343%0.429SS..  trans-72.4-19.6168.4-93.6-162.8130.600112.5F31 C35 L141 K142F31-E145 HydrophobicContact CD1-CG 3.85Å; F31-E145 HydrophobicContact CE1-CG 3.29Å; F31-E145 HydrophobicContact CZ-CG 4.17Å; C35-E145 WeakPolarHBondContact CB-OE2 3.42Å; C35-E145 PolarHBondContact SG-OE2 2.92Å; L141-E145 PolarHBondContact O-N 3.44Å; K142-E145 PolarHBondContact O-N 3.46Å
146G54.3Low85.9Confident128 Ų12880.8 Ų80.8100%1.3244%0.444SS*.  trans-91.70179.400000113.2

Retrieved 146 of 146 residues in 60.8 ms (Link to these results)

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