A0A087XKP1_POEFO Loading...

Islet cell autoantigen 1

AlphaFold DB , UniProt , Accession A0A087XKP1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 396 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
1M48.7Very low57.3Low216 Ų216116.5 Ų116.5100%1.06457%0.571SS**  0-53.30-157.2173.1-173.100112.6V3 K4 M5M1-V3 PolarHBondContact O-N 2.78Å; M1-K4 PolarHBondContact O-N 2.99Å; M1-K4 VanDerWaalsContact O-N 3.14Å; M1-M5 PolarHBondContact O-N 3.01Å
2H44.9Very low59.4Low162 Ų162108.2 Ų108.275%0.7553%0.53SS*.Hα-helixtrans-49.4-45.6-177.4-96.550.7000115.2K4 M5 L6H2-K4 VanDerWaalsContact C-N 3.32Å; H2-K4 PolarHBondContact O-N 3.32Å; H2-M5 WeakPolarHBondContact O-CA 3.17Å; H2-M5 WeakPolarHBondContact O-CB 3.09Å; H2-M5 PolarHBondContact O-N 2.56Å; H2-L6 PolarHBondContact O-N 3.26Å
3V46.7Very low61.4Low99 Ų99107.3 Ų107.360%0.652%0.518SS*.Hα-helixtrans-55.6-43179.6-178.30000112.6M1 M5 L6 M7M1-V3 PolarHBondContact O-N 2.78Å; V3-M5 VanDerWaalsContact C-N 3.32Å; V3-M5 PolarHBondContact O-N 2.99Å; V3-L6 PolarHBondContact O-N 3.19Å; V3-M7 HydrophobicContact CG1-CE 4.09Å; V3-M7 HydrophobicContact CG1-SD 4.3Å; V3-M7 WeakPolarHBondContact O-CG 3.36Å; V3-M7 PolarHBondContact O-N 3.44Å
4K46.9Very low63.4Low172 Ų172109 Ų10975%0.74852%0.524SS*.Hα-helixtrans-62.6-38.1175.8-70.2-168.7174.5-173.30111.8M1 H2 F8M1-K4 PolarHBondContact O-N 2.99Å; M1-K4 VanDerWaalsContact O-N 3.14Å; H2-K4 VanDerWaalsContact C-N 3.32Å; H2-K4 PolarHBondContact O-N 3.32Å; K4-F8 WeakPolarHBondContact O-CB 3.46Å; K4-F8 PolarHBondContact O-N 3.16Å
5M56.6Low65.3Low98 Ų98105.9 Ų105.948%0.48352%0.515SS..Hα-helixtrans-68.5-37.1176.4-160.9-177-154.600112.2M1 H2 V3 F9M1-M5 PolarHBondContact O-N 3.01Å; H2-M5 WeakPolarHBondContact O-CA 3.17Å; H2-M5 WeakPolarHBondContact O-CB 3.09Å; H2-M5 PolarHBondContact O-N 2.56Å; V3-M5 VanDerWaalsContact C-N 3.32Å; V3-M5 PolarHBondContact O-N 2.99Å; M5-F9 PolarHBondContact O-N 3.39Å
6L56.5Low67.2Low94 Ų9499.3 Ų99.349%0.49248%0.483SS..Hα-helixtrans-68.8-42.5176.8-167.672.1000111.8H2 V3 F9 K10H2-L6 PolarHBondContact O-N 3.26Å; V3-L6 PolarHBondContact O-N 3.19Å; L6-F9 PolarHBondContact O-N 3.02Å; L6-K10 WeakPolarHBondContact O-CG 3.4Å; L6-K10 PolarHBondContact O-N 2.63Å
7M59.4Low68.8Low130 Ų13097.1 Ų97.164%0.6447%0.471SS*.Hα-helixtrans-63.4-45.6172.8-73.217917000111.8V3 F9 K10 S11V3-M7 HydrophobicContact CG1-CE 4.09Å; V3-M7 HydrophobicContact CG1-SD 4.3Å; V3-M7 WeakPolarHBondContact O-CG 3.36Å; V3-M7 PolarHBondContact O-N 3.44Å; M7-F9 VanDerWaalsContact C-N 3.31Å; M7-F9 PolarHBondContact O-N 2.96Å; M7-K10 PolarHBondContact O-N 3.16Å; M7-S11 PolarHBondContact O-N 2.8Å
8F63Low70.4Confident115 Ų11594.8 Ų94.850%0.50447%0.466SS..Hα-helixtrans-55.3-46.4175.3-176.8-90.9000111.2K4 S11 H12K4-F8 WeakPolarHBondContact O-CB 3.46Å; K4-F8 PolarHBondContact O-N 3.16Å; F8-S11 WeakPolarHBondContact O-CB 3.47Å; F8-S11 PolarHBondContact O-N 3.42Å; F8-H12 AromaticContact CD1-CE1 3.64Å; F8-H12 AromaticContact CD1-ND1 3.77Å; F8-H12 AromaticContact CD2-CE1 3.87Å; F8-H12 AromaticContact CE1-CE1 3.23Å; F8-H12 WeakPolarHBondContact CE1-CE1 3.48Å; F8-H12 AromaticContact CE1-ND1 3.75Å; F8-H12 AromaticContact CE1-NE2 3.72Å; F8-H12 AromaticContact CE2-CE1 3.5Å; F8-H12 VanDerWaalsContact CE2-CE1 3.5Å; F8-H12 WeakPolarHBondContact CE2-CE1 3.33Å; F8-H12 AromaticContact CG-CE1 3.94Å; F8-H12 AromaticContact CZ-CE1 3.16Å; F8-H12 WeakPolarHBondContact CZ-CE1 3.17Å; F8-H12 AromaticContact CZ-NE2 3.58Å; F8-H12 PolarHBondContact O-N 2.82Å; F8-H12 VanDerWaalsContact O-N 3.11Å; F8-H12 PolarHBondContact O-ND1 3.4Å
9F60.9Low71.8Confident27 Ų2790.2 Ų90.212%0.11844%0.444CS..Hα-helixtrans-69.5-41179-163.5-104.7000113.5M5 L6 M7 S11 H12 R13 M112 K162 V165M5-F9 PolarHBondContact O-N 3.39Å; L6-F9 PolarHBondContact O-N 3.02Å; M7-F9 VanDerWaalsContact C-N 3.31Å; M7-F9 PolarHBondContact O-N 2.96Å; F9-S11 PolarHBondContact O-N 3Å; F9-H12 PolarHBondContact O-N 3.17Å; F9-R13 PolarHBondContact O-N 2.83Å; F9-M112 HydrophobicContact CE1-CE 3.74Å; F9-M112 HydrophobicContact CE1-SD 3.65Å; F9-M112 HydrophobicContact CZ-CE 3.48Å; F9-M112 VanDerWaalsContact CZ-CE 3.48Å; F9-M112 HydrophobicContact CZ-CG 4.12Å; F9-M112 HydrophobicContact CZ-SD 3.45Å; F9-M112 WeakPolarHBondContact CZ-SD 3.49Å; F9-K162 HydrophobicContact CD2-CD 4.42Å; F9-K162 HydrophobicContact CD2-CG 3.57Å; F9-K162 HydrophobicContact CE2-CB 4.28Å; F9-K162 HydrophobicContact CE2-CG 3.49Å; F9-K162 VanDerWaalsContact CE2-CG 3.49Å; F9-K162 HydrophobicContact CG-CG 4.23Å; F9-K162 HydrophobicContact CZ-CG 4.08Å; F9-V165 HydrophobicContact CE2-CB 4.41Å; F9-V165 HydrophobicContact CE2-CG1 4.03Å; F9-V165 HydrophobicContact CZ-CG1 4.11Å
10K70.4Confident73Confident110 Ų11089.3 Ų89.348%0.47844%0.438SS..Hα-helixtrans-56.1-38.6170.9-78.8-175.9175.6-174.80111.3L6 M7 Q14L6-K10 WeakPolarHBondContact O-CG 3.4Å; L6-K10 PolarHBondContact O-N 2.63Å; M7-K10 PolarHBondContact O-N 3.16Å; K10-Q14 VanDerWaalsContact O-CG 3.29Å; K10-Q14 WeakPolarHBondContact O-CG 3.24Å; K10-Q14 PolarHBondContact O-N 2.78Å; K10-Q14 PolarHBondContact O-NE2 3.38Å
11S76Confident74.2Confident58 Ų5892.3 Ų92.341%0.40645%0.445SS..Hα-helixtrans-63.9-48.2176.4-1720000112.5M7 F8 F9 R13 Q14 V15M7-S11 PolarHBondContact O-N 2.8Å; F8-S11 WeakPolarHBondContact O-CB 3.47Å; F8-S11 PolarHBondContact O-N 3.42Å; F9-S11 PolarHBondContact O-N 3Å; S11-R13 VanDerWaalsContact C-N 3.33Å; S11-R13 PolarHBondContact O-N 3.04Å; S11-Q14 CarbonylContact O-C 3.39Å; S11-Q14 WeakPolarHBondContact O-CA 3.39Å; S11-Q14 WeakPolarHBondContact O-CB 3.42Å; S11-Q14 PolarHBondContact O-N 3.01Å; S11-V15 WeakPolarHBondContact O-CG2 3.43Å; S11-V15 PolarHBondContact O-N 3.08Å
12H83.1Confident76.6Confident17 Ų1784.4 Ų84.48%0.07941%0.409CS..Hα-helixtrans-61.2-40.2-178.8-72.663.1000112.3F8 F9 Q14 V15 F16 D170F8-H12 AromaticContact CD1-CE1 3.64Å; F8-H12 AromaticContact CD1-ND1 3.77Å; F8-H12 AromaticContact CD2-CE1 3.87Å; F8-H12 AromaticContact CE1-CE1 3.23Å; F8-H12 WeakPolarHBondContact CE1-CE1 3.48Å; F8-H12 AromaticContact CE1-ND1 3.75Å; F8-H12 AromaticContact CE1-NE2 3.72Å; F8-H12 AromaticContact CE2-CE1 3.5Å; F8-H12 VanDerWaalsContact CE2-CE1 3.5Å; F8-H12 WeakPolarHBondContact CE2-CE1 3.33Å; F8-H12 AromaticContact CG-CE1 3.94Å; F8-H12 AromaticContact CZ-CE1 3.16Å; F8-H12 WeakPolarHBondContact CZ-CE1 3.17Å; F8-H12 AromaticContact CZ-NE2 3.58Å; F8-H12 PolarHBondContact O-N 2.82Å; F8-H12 VanDerWaalsContact O-N 3.11Å; F8-H12 PolarHBondContact O-ND1 3.4Å; F9-H12 PolarHBondContact O-N 3.17Å; H12-Q14 VanDerWaalsContact C-N 3.33Å; H12-Q14 PolarHBondContact O-N 2.95Å; H12-V15 PolarHBondContact O-N 3.46Å; H12-F16 PolarHBondContact O-N 3.37Å; H12-D170 IonicContact CD2-OD1 3.54Å; H12-D170 IonicContact NE2-OD1 3.26Å
13R85.3Confident79.1Confident97 Ų9776.9 Ų76.937%0.36638%0.375SS..Hα-helixtrans-66.6-33.3174.7-173.2171.3167.6-166.2-8.8112.6F9 S11 H17 E113F9-R13 PolarHBondContact O-N 2.83Å; S11-R13 VanDerWaalsContact C-N 3.33Å; S11-R13 PolarHBondContact O-N 3.04Å; R13-H17 PolarHBondContact NE-NE2 3.1Å; R13-H17 PolarHBondContact O-CD2 3.12Å; R13-H17 PolarHBondContact O-N 3.22Å; R13-E113 IonicContact CZ-OE1 3.71Å; R13-E113 IonicContact NE-OE1 2.72Å; R13-E113 IonicContact NH1-OE1 3.68Å; R13-E113 PolarHBondContact NH1-OE1 2.96Å; R13-E113 IonicContact NH1-OE2 3.35Å
14Q88.9Confident81.5Confident131 Ų13176.1 Ų76.161%0.61237%0.365SS*.Hα-helixtrans-68.7-43.3172.1-70.9169.842.700112.1K10 S11 H12 F16 H17 S18K10-Q14 VanDerWaalsContact O-CG 3.29Å; K10-Q14 WeakPolarHBondContact O-CG 3.24Å; K10-Q14 PolarHBondContact O-N 2.78Å; K10-Q14 PolarHBondContact O-NE2 3.38Å; S11-Q14 CarbonylContact O-C 3.39Å; S11-Q14 WeakPolarHBondContact O-CA 3.39Å; S11-Q14 WeakPolarHBondContact O-CB 3.42Å; S11-Q14 PolarHBondContact O-N 3.01Å; H12-Q14 VanDerWaalsContact C-N 3.33Å; H12-Q14 PolarHBondContact O-N 2.95Å; Q14-F16 VanDerWaalsContact C-N 3.35Å; Q14-F16 PolarHBondContact O-N 3.02Å; Q14-H17 PolarHBondContact O-N 2.96Å; Q14-S18 VanDerWaalsContact O-CB 3.29Å; Q14-S18 WeakPolarHBondContact O-CB 3.23Å; Q14-S18 PolarHBondContact O-N 3.23Å
15V91.6Very high83.9Confident63 Ų6372.3 Ų72.338%0.38235%0.35SS..Hα-helixtrans-58.9-45.6175.3171.30000110.8S11 H12 S18 I19 V169S11-V15 WeakPolarHBondContact O-CG2 3.43Å; S11-V15 PolarHBondContact O-N 3.08Å; H12-V15 PolarHBondContact O-N 3.46Å; V15-S18 WeakPolarHBondContact O-CB 3.39Å; V15-S18 PolarHBondContact O-N 3.42Å; V15-I19 HydrophobicContact CG1-CD1 3.89Å; V15-I19 WeakPolarHBondContact O-CG1 3.49Å; V15-I19 PolarHBondContact O-N 3.03Å; V15-V169 HydrophobicContact CB-CG1 4.2Å; V15-V169 HydrophobicContact CG1-CG1 3.88Å
16F96.5Very high85.9Confident0 Ų070.4 Ų70.40%034%0.342CS..Hα-helixtrans-56.4-52.8174.8172.3-105.7000112.7H12 Q14 S18 I19 Q20 I102 T105 W106 V109 V169 L172H12-F16 PolarHBondContact O-N 3.37Å; Q14-F16 VanDerWaalsContact C-N 3.35Å; Q14-F16 PolarHBondContact O-N 3.02Å; F16-S18 VanDerWaalsContact C-N 3.29Å; F16-S18 PolarHBondContact O-N 3.27Å; F16-I19 PolarHBondContact O-N 3Å; F16-Q20 WeakPolarHBondContact O-CB 3.45Å; F16-Q20 PolarHBondContact O-N 2.84Å; F16-I102 HydrophobicContact CE2-CG2 3.8Å; F16-I102 HydrophobicContact CZ-CG2 4.05Å; F16-T105 HydrophobicContact CD2-CG2 3.57Å; F16-T105 HydrophobicContact CE2-CG2 3.67Å; F16-W106 HydrophobicContact CZ-CB 3.8Å; F16-W106 HydrophobicContact CZ-CG 4.36Å; F16-V109 HydrophobicContact CD1-CG2 4.29Å; F16-V109 HydrophobicContact CG-CG2 4.43Å; F16-V169 HydrophobicContact CB-CG1 4.37Å; F16-V169 HydrophobicContact CB-CG2 3.85Å; F16-V169 HydrophobicContact CD2-CG2 4.39Å; F16-V169 HydrophobicContact CG-CG2 4.42Å; F16-L172 HydrophobicContact CD2-CD2 3.9Å; F16-L172 HydrophobicContact CE2-CD2 4.14Å
17H94.9Very high87.9Confident62 Ų6266.1 Ų66.129%0.28732%0.319SS..Hα-helixtrans-66.9-30.4179.6-68.8-50.2000112.6R13 Q14 Q20 R21R13-H17 PolarHBondContact NE-NE2 3.1Å; R13-H17 PolarHBondContact O-CD2 3.12Å; R13-H17 PolarHBondContact O-N 3.22Å; Q14-H17 PolarHBondContact O-N 2.96Å; H17-Q20 PolarHBondContact ND1-OE1 2.94Å; H17-R21 VanDerWaalsContact O-CB 3.3Å; H17-R21 WeakPolarHBondContact O-CB 3.48Å; H17-R21 PolarHBondContact O-N 3.04Å
18S96.4Very high89.7Confident55 Ų5566.1 Ų66.139%0.38532%0.316SS..Hα-helixtrans-65.4-45.1172.3-175.70000111.8Q14 V15 F16 R21 T22Q14-S18 VanDerWaalsContact O-CB 3.29Å; Q14-S18 WeakPolarHBondContact O-CB 3.23Å; Q14-S18 PolarHBondContact O-N 3.23Å; V15-S18 WeakPolarHBondContact O-CB 3.39Å; V15-S18 PolarHBondContact O-N 3.42Å; F16-S18 VanDerWaalsContact C-N 3.29Å; F16-S18 PolarHBondContact O-N 3.27Å; S18-R21 PolarHBondContact O-N 3.36Å; S18-T22 WeakPolarHBondContact O-CB 3.39Å; S18-T22 WeakPolarHBondContact O-CG2 3.35Å; S18-T22 PolarHBondContact O-N 2.97Å; S18-T22 PolarHBondContact O-OG1 3.1Å
19I96.9Very high91.4Very high8 Ų864.8 Ų64.84%0.04132%0.317CS..Hα-helixtrans-60-48.9173.4-71.8165.8000110.6V15 F16 R21 C23 F97 I102 L172V15-I19 HydrophobicContact CG1-CD1 3.89Å; V15-I19 WeakPolarHBondContact O-CG1 3.49Å; V15-I19 PolarHBondContact O-N 3.03Å; F16-I19 PolarHBondContact O-N 3Å; I19-R21 PolarHBondContact O-N 3.29Å; I19-C23 WeakPolarHBondContact O-CB 3.28Å; I19-C23 PolarHBondContact O-N 2.82Å; I19-C23 PolarHBondContact O-SG 3.24Å; I19-C23 VanDerWaalsContact O-SG 3.37Å; I19-F97 HydrophobicContact CG2-CE1 4.22Å; I19-I102 HydrophobicContact CG2-CD1 4.02Å; I19-I102 HydrophobicContact CG2-CG1 4.43Å; I19-L172 HydrophobicContact CD1-CD2 4.45Å; I19-L172 HydrophobicContact CG2-CD2 3.94Å; I19-L172 HydrophobicContact CG2-CG 4.22Å
20Q97.4Very high93.1Very high71 Ų7163.8 Ų63.833%0.33231%0.313SS..Hα-helixtrans-56.6-45.8178.1-176.7-177.911.600112.4F16 H17 M24 I102F16-Q20 WeakPolarHBondContact O-CB 3.45Å; F16-Q20 PolarHBondContact O-N 2.84Å; H17-Q20 PolarHBondContact ND1-OE1 2.94Å; Q20-M24 PolarHBondContact O-N 3.17Å; Q20-I102 HydrophobicContact CB-CG2 3.99Å; Q20-I102 HydrophobicContact CG-CG2 4.04Å
21R97.5Very high94.4Very high154 Ų15462.2 Ų62.258%0.58131%0.307SS*.Hα-helixtrans-68.5-55.4179.9-171-165.8-64.5144.9-0.8111.7H17 S18 I19 C23 M24 E25H17-R21 VanDerWaalsContact O-CB 3.3Å; H17-R21 WeakPolarHBondContact O-CB 3.48Å; H17-R21 PolarHBondContact O-N 3.04Å; S18-R21 PolarHBondContact O-N 3.36Å; I19-R21 PolarHBondContact O-N 3.29Å; R21-C23 VanDerWaalsContact C-N 3.31Å; R21-C23 PolarHBondContact O-N 3.32Å; R21-M24 WeakPolarHBondContact O-CA 3.44Å; R21-M24 WeakPolarHBondContact O-CB 3.41Å; R21-M24 PolarHBondContact O-N 3.43Å; R21-E25 VanDerWaalsContact CD-OE1 3.24Å; R21-E25 WeakPolarHBondContact CD-OE1 3.38Å; R21-E25 HydrophobicContact CG-CG 4.39Å; R21-E25 VanDerWaalsContact CG-OE1 3.25Å; R21-E25 WeakPolarHBondContact CG-OE1 3.44Å; R21-E25 PolarHBondContact O-N 2.63Å
22T97.9Very high95.5Very high49 Ų4964.2 Ų64.230%0.30131%0.31SS..Hα-helixtrans-66.1-30.8-173.651.90000113S18 M24 E25 L26 R176S18-T22 WeakPolarHBondContact O-CB 3.39Å; S18-T22 WeakPolarHBondContact O-CG2 3.35Å; S18-T22 PolarHBondContact O-N 2.97Å; S18-T22 PolarHBondContact O-OG1 3.1Å; T22-M24 VanDerWaalsContact C-N 3.35Å; T22-E25 WeakPolarHBondContact CA-OE2 3.5Å; T22-L26 VanDerWaalsContact O-CB 3.23Å; T22-L26 WeakPolarHBondContact O-CB 3.32Å; T22-L26 PolarHBondContact O-N 2.66Å; T22-R176 PolarHBondContact OG1-NH1 3.05Å
23C97.9Very high96.2Very high5 Ų567.2 Ų67.23%0.03432%0.321CS..Hα-helixtrans-67-33.1169.7-72.50000113.1I19 R21 L27 I94 R98 I102 R176I19-C23 WeakPolarHBondContact O-CB 3.28Å; I19-C23 PolarHBondContact O-N 2.82Å; I19-C23 PolarHBondContact O-SG 3.24Å; I19-C23 VanDerWaalsContact O-SG 3.37Å; R21-C23 VanDerWaalsContact C-N 3.31Å; R21-C23 PolarHBondContact O-N 3.32Å; C23-L27 PolarHBondContact O-N 3.31Å; C23-I94 HydrophobicContact CB-CG2 4.14Å; C23-I94 WeakPolarHBondContact O-CG2 3.49Å; C23-R98 HydrophobicContact CB-CG 3.8Å; C23-I102 HydrophobicContact CB-CD1 4.06Å; C23-R176 VanDerWaalsContact SG-CD 3.58Å
24M97.1Very high96.8Very high82 Ų8264 Ų6440%0.40431%0.31SS..Hα-helixtrans-74.9-39.2176.3-175.661.914400111.9Q20 R21 T22 L27 K28 R98Q20-M24 PolarHBondContact O-N 3.17Å; R21-M24 WeakPolarHBondContact O-CA 3.44Å; R21-M24 WeakPolarHBondContact O-CB 3.41Å; R21-M24 PolarHBondContact O-N 3.43Å; T22-M24 VanDerWaalsContact C-N 3.35Å; M24-L27 PolarHBondContact O-N 3.46Å; M24-K28 PolarHBondContact O-N 3.27Å; M24-R98 PolarHBondContact SD-NH2 3.42Å
25E98.1Very high97.2Very high92 Ų9264.8 Ų64.843%0.4331%0.308SS..Hα-helixtrans-63.7-42.4173.8-70.5161.4163.900111.1R21 T22 L27 K28 V29R21-E25 VanDerWaalsContact CD-OE1 3.24Å; R21-E25 WeakPolarHBondContact CD-OE1 3.38Å; R21-E25 HydrophobicContact CG-CG 4.39Å; R21-E25 VanDerWaalsContact CG-OE1 3.25Å; R21-E25 WeakPolarHBondContact CG-OE1 3.44Å; R21-E25 PolarHBondContact O-N 2.63Å; T22-E25 WeakPolarHBondContact CA-OE2 3.5Å; E25-L27 PolarHBondContact O-N 2.92Å; E25-K28 WeakPolarHBondContact O-CB 3.45Å; E25-K28 PolarHBondContact O-N 3Å; E25-V29 WeakPolarHBondContact O-CG2 3.2Å; E25-V29 PolarHBondContact O-N 2.98Å
26L97.8Very high97.5Very high58 Ų5869.3 Ų69.330%0.30432%0.318SS..Hα-helixtrans-62.8-38.2178.4-175.355.5000112.8T22 V29 I30 I94 L180T22-L26 VanDerWaalsContact O-CB 3.23Å; T22-L26 WeakPolarHBondContact O-CB 3.32Å; T22-L26 PolarHBondContact O-N 2.66Å; L26-V29 PolarHBondContact O-N 3.27Å; L26-I30 HydrophobicContact CD1-CD1 4.05Å; L26-I30 HydrophobicContact CD1-CG1 4.21Å; L26-I30 HydrophobicContact CG-CD1 3.85Å; L26-I30 HydrophobicContact CG-CG1 4.49Å; L26-I30 WeakPolarHBondContact O-CB 3.11Å; L26-I30 WeakPolarHBondContact O-CD1 3.46Å; L26-I30 VanDerWaalsContact O-CG1 3.23Å; L26-I30 WeakPolarHBondContact O-CG1 3.4Å; L26-I30 PolarHBondContact O-N 2.87Å; L26-I94 HydrophobicContact CD2-CD1 3.52Å; L26-I94 HydrophobicContact CG-CD1 3.79Å; L26-L180 HydrophobicContact CD2-CD2 4.12Å
27L98.1Very high97.5Very high5 Ų569.6 Ų69.63%0.02632%0.319CS..Hα-helixtrans-59.2-47.7172.3-73-179.3000112C23 M24 E25 V29 I30 E31 Y91 I94 E95C23-L27 PolarHBondContact O-N 3.31Å; M24-L27 PolarHBondContact O-N 3.46Å; E25-L27 PolarHBondContact O-N 2.92Å; L27-V29 VanDerWaalsContact C-N 3.31Å; L27-V29 PolarHBondContact O-N 2.97Å; L27-I30 PolarHBondContact O-N 2.91Å; L27-E31 WeakPolarHBondContact O-CB 3.24Å; L27-E31 PolarHBondContact O-N 3.2Å; L27-Y91 HydrophobicContact CB-CD2 4.36Å; L27-Y91 HydrophobicContact CB-CE2 3.94Å; L27-Y91 HydrophobicContact CD2-CD1 4.23Å; L27-Y91 HydrophobicContact CD2-CD2 3.61Å; L27-Y91 HydrophobicContact CD2-CE1 4.33Å; L27-Y91 HydrophobicContact CD2-CE2 3.75Å; L27-Y91 HydrophobicContact CD2-CG 3.84Å; L27-Y91 WeakPolarHBondContact CD2-O 3.43Å; L27-Y91 HydrophobicContact CG-CE2 4.31Å; L27-I94 HydrophobicContact CD2-CB 3.82Å; L27-I94 HydrophobicContact CD2-CG2 3.78Å; L27-I94 HydrophobicContact CG-CB 4.45Å; L27-I94 HydrophobicContact CG-CG2 3.85Å; L27-E95 HydrophobicContact CD1-CB 4.28Å; L27-E95 HydrophobicContact CD2-CB 4.27Å
28K98.3Very high97.6Very high130 Ų13067.7 Ų67.757%0.56531%0.313SS*.Hα-helixtrans-60.4-40.7178.1-65.5177.7178.4-174.10112M24 E25 Q32M24-K28 PolarHBondContact O-N 3.27Å; E25-K28 WeakPolarHBondContact O-CB 3.45Å; E25-K28 PolarHBondContact O-N 3Å; K28-Q32 WeakPolarHBondContact O-CB 3.48Å; K28-Q32 PolarHBondContact O-N 3.03Å
29V98.3Very high97.7Very high87 Ų8771.3 Ų71.353%0.52732%0.322SS..Hα-helixtrans-65.7-45176.7171.20000111.1E25 L26 L27 E31 Q32 Y33E25-V29 WeakPolarHBondContact O-CG2 3.2Å; E25-V29 PolarHBondContact O-N 2.98Å; L26-V29 PolarHBondContact O-N 3.27Å; L27-V29 VanDerWaalsContact C-N 3.31Å; L27-V29 PolarHBondContact O-N 2.97Å; V29-E31 VanDerWaalsContact C-N 3.35Å; V29-E31 PolarHBondContact O-N 2.87Å; V29-Q32 PolarHBondContact O-N 3.41Å; V29-Y33 WeakPolarHBondContact O-CB 3.41Å; V29-Y33 PolarHBondContact O-N 2.95Å
30I97.9Very high97.7Very high6 Ų675.6 Ų75.63%0.03135%0.345CS..Hα-helixtrans-62.7-41.8177.3-68.9160.6000111.1L26 L27 Q34 L87 L90 Y91 I94L26-I30 HydrophobicContact CD1-CD1 4.05Å; L26-I30 HydrophobicContact CD1-CG1 4.21Å; L26-I30 HydrophobicContact CG-CD1 3.85Å; L26-I30 HydrophobicContact CG-CG1 4.49Å; L26-I30 WeakPolarHBondContact O-CB 3.11Å; L26-I30 WeakPolarHBondContact O-CD1 3.46Å; L26-I30 VanDerWaalsContact O-CG1 3.23Å; L26-I30 WeakPolarHBondContact O-CG1 3.4Å; L26-I30 PolarHBondContact O-N 2.87Å; L27-I30 PolarHBondContact O-N 2.91Å; I30-Q34 WeakPolarHBondContact O-CB 3.36Å; I30-Q34 WeakPolarHBondContact O-CG 3.47Å; I30-Q34 PolarHBondContact O-N 3.36Å; I30-L87 HydrophobicContact CG2-CB 4.48Å; I30-L87 HydrophobicContact CG2-CD2 4.47Å; I30-L90 HydrophobicContact CD1-CB 4.47Å; I30-L90 HydrophobicContact CD1-CD2 3.63Å; I30-L90 HydrophobicContact CD1-CG 3.7Å; I30-L90 HydrophobicContact CG1-CD2 4.08Å; I30-Y91 HydrophobicContact CG2-CD2 4.24Å; I30-I94 HydrophobicContact CD1-CD1 3.55Å
31E97.4Very high97.7Very high76 Ų7672.4 Ų72.436%0.35533%0.33SS..Hα-helixtrans-63.5-51.9176.8-169.6-168173.600111.5L27 V29 Y33 Q34 R35 Y91L27-E31 WeakPolarHBondContact O-CB 3.24Å; L27-E31 PolarHBondContact O-N 3.2Å; V29-E31 VanDerWaalsContact C-N 3.35Å; V29-E31 PolarHBondContact O-N 2.87Å; E31-Y33 VanDerWaalsContact C-N 3.28Å; E31-Y33 PolarHBondContact O-N 3.46Å; E31-Q34 PolarHBondContact O-N 3.38Å; E31-R35 WeakPolarHBondContact O-CG 3.48Å; E31-R35 PolarHBondContact O-N 3.42Å; E31-R35 IonicContact OE1-CZ 3.64Å; E31-R35 IonicContact OE1-NE 3.07Å; E31-R35 IonicContact OE1-NH2 2.68Å; E31-R35 PolarHBondContact OE1-NH2 3.38Å; E31-Y91 HydrophobicContact CB-CE2 4.38Å
32Q98.2Very high97.7Very high101 Ų10169.8 Ų69.847%0.47232%0.324SS..Hα-helixtrans-62-37.4178.6-169.3-179.647.800111.7K28 V29 R35 R36K28-Q32 WeakPolarHBondContact O-CB 3.48Å; K28-Q32 PolarHBondContact O-N 3.03Å; V29-Q32 PolarHBondContact O-N 3.41Å; Q32-R35 PolarHBondContact O-N 3.18Å; Q32-R36 WeakPolarHBondContact O-CB 3.32Å; Q32-R36 WeakPolarHBondContact O-CG 3.18Å; Q32-R36 PolarHBondContact O-N 3.49Å
33Y98.2Very high97.7Very high80 Ų8073.6 Ų73.631%0.31434%0.339SS..Hα-helixtrans-68-41.9177.3-177.7-130.9000112.3V29 E31 R35 R36 I37 L87 Y187V29-Y33 WeakPolarHBondContact O-CB 3.41Å; V29-Y33 PolarHBondContact O-N 2.95Å; E31-Y33 VanDerWaalsContact C-N 3.28Å; E31-Y33 PolarHBondContact O-N 3.46Å; Y33-R35 PolarHBondContact O-N 2.89Å; Y33-R36 PolarHBondContact O-N 3.46Å; Y33-I37 HydrophobicContact CD1-CD1 3.94Å; Y33-I37 HydrophobicContact CD2-CD1 4.22Å; Y33-I37 HydrophobicContact CD2-CG1 4.33Å; Y33-I37 HydrophobicContact CE1-CD1 3.61Å; Y33-I37 HydrophobicContact CE2-CD1 3.9Å; Y33-I37 HydrophobicContact CE2-CG1 4Å; Y33-I37 HydrophobicContact CG-CD1 4.23Å; Y33-I37 WeakPolarHBondContact O-CG1 3.41Å; Y33-I37 PolarHBondContact O-N 3.49Å; Y33-L87 HydrophobicContact CD1-CD1 3.68Å; Y33-L87 HydrophobicContact CD1-CD2 3.93Å; Y33-L87 HydrophobicContact CD1-CG 4.49Å; Y33-L87 HydrophobicContact CE1-CD1 3.7Å; Y33-L87 HydrophobicContact CE1-CD2 4.11Å; Y33-Y187 HydrophobicContact CE1-CE2 4.1Å; Y33-Y187 VanDerWaalsContact CE1-OH 3.3Å; Y33-Y187 WeakPolarHBondContact CE1-OH 3.49Å; Y33-Y187 PolarHBondContact OH-OH 2.73Å
34Q97.3Very high97.7Very high28 Ų2874.7 Ų74.713%0.13134%0.343CS..Hα-helixtrans-60.8-43.2173.2-78.3-176.891.500112.3I30 E31 I37 C38 L87I30-Q34 WeakPolarHBondContact O-CB 3.36Å; I30-Q34 WeakPolarHBondContact O-CG 3.47Å; I30-Q34 PolarHBondContact O-N 3.36Å; E31-Q34 PolarHBondContact O-N 3.38Å; Q34-I37 PolarHBondContact O-N 3.18Å; Q34-C38 PolarHBondContact O-N 2.97Å; Q34-C38 PolarHBondContact O-SG 3.24Å; Q34-L87 HydrophobicContact CG-CB 3.69Å; Q34-L87 HydrophobicContact CG-CD1 3.9Å; Q34-L87 HydrophobicContact CG-CG 4.41Å
35R97.1Very high97.7Very high149 Ų14972.2 Ų72.256%0.56233%0.332SS*.Hα-helixtrans-59.2-48.2174-65.4178.1-170.6-147.97.7110.9E31 Q32 Y33 I37 C38 F39E31-R35 WeakPolarHBondContact O-CG 3.48Å; E31-R35 PolarHBondContact O-N 3.42Å; E31-R35 IonicContact OE1-CZ 3.64Å; E31-R35 IonicContact OE1-NE 3.07Å; E31-R35 IonicContact OE1-NH2 2.68Å; E31-R35 PolarHBondContact OE1-NH2 3.38Å; Q32-R35 PolarHBondContact O-N 3.18Å; Y33-R35 PolarHBondContact O-N 2.89Å; R35-I37 PolarHBondContact O-N 3.01Å; R35-C38 WeakPolarHBondContact O-CB 3.5Å; R35-C38 PolarHBondContact O-N 3.36Å; R35-C38 VanDerWaalsContact O-N 3.15Å; R35-F39 HydrophobicContact CB-CE2 4.45Å; R35-F39 WeakPolarHBondContact O-CD2 3.42Å; R35-F39 PolarHBondContact O-N 3.36Å; R35-F39 VanDerWaalsContact O-N 3.15Å
36R98Very high97.7Very high157 Ų15773.4 Ų73.459%0.59234%0.337SS*.Hα-helixtrans-62-37.3178.2-74.5176.5179.4-171.12.1113.6Q32 Y33 C38 L40Q32-R36 WeakPolarHBondContact O-CB 3.32Å; Q32-R36 WeakPolarHBondContact O-CG 3.18Å; Q32-R36 PolarHBondContact O-N 3.49Å; Y33-R36 PolarHBondContact O-N 3.46Å; R36-C38 VanDerWaalsContact C-N 3.33Å; R36-L40 VanDerWaalsContact O-CB 3.3Å; R36-L40 WeakPolarHBondContact O-CB 3.45Å; R36-L40 PolarHBondContact O-N 2.9Å
37I97.1Very high97.7Very high6 Ų674.9 Ų74.93%0.03135%0.345CS..Hα-helixtrans-60.4-43.7173.1-77.8163.1000110.9Y33 Q34 R35 S41 R80 L81 L83 R84 L87Y33-I37 HydrophobicContact CD1-CD1 3.94Å; Y33-I37 HydrophobicContact CD2-CD1 4.22Å; Y33-I37 HydrophobicContact CD2-CG1 4.33Å; Y33-I37 HydrophobicContact CE1-CD1 3.61Å; Y33-I37 HydrophobicContact CE2-CD1 3.9Å; Y33-I37 HydrophobicContact CE2-CG1 4Å; Y33-I37 HydrophobicContact CG-CD1 4.23Å; Y33-I37 WeakPolarHBondContact O-CG1 3.41Å; Y33-I37 PolarHBondContact O-N 3.49Å; Q34-I37 PolarHBondContact O-N 3.18Å; R35-I37 PolarHBondContact O-N 3.01Å; I37-S41 WeakPolarHBondContact O-CB 3.48Å; I37-S41 PolarHBondContact O-N 3.24Å; I37-S41 VanDerWaalsContact O-N 3.08Å; I37-S41 PolarHBondContact O-OG 2.92Å; I37-R80 HydrophobicContact CG2-CG 4.23Å; I37-L81 HydrophobicContact CG2-CD2 4.09Å; I37-L83 HydrophobicContact CD1-CB 4.17Å; I37-L83 HydrophobicContact CD1-CD1 4.34Å; I37-R84 HydrophobicContact CG2-CG 4.46Å; I37-L87 HydrophobicContact CD1-CD1 3.41Å; I37-L87 VanDerWaalsContact CD1-CD1 3.41Å
38C96.7Very high97.6Very high23 Ų2374.7 Ų74.716%0.15534%0.344CS..Hα-helixtrans-62.2-53.9-180-60.20000111Q34 R35 R36 L40 S41 Q42Q34-C38 PolarHBondContact O-N 2.97Å; Q34-C38 PolarHBondContact O-SG 3.24Å; R35-C38 WeakPolarHBondContact O-CB 3.5Å; R35-C38 PolarHBondContact O-N 3.36Å; R35-C38 VanDerWaalsContact O-N 3.15Å; R36-C38 VanDerWaalsContact C-N 3.33Å; C38-L40 PolarHBondContact O-N 3.37Å; C38-S41 PolarHBondContact O-N 3.47Å; C38-Q42 WeakPolarHBondContact O-CG 3.47Å; C38-Q42 PolarHBondContact O-N 3.02Å; C38-Q42 PolarHBondContact O-OE1 3.3Å
39F97.8Very high97.6Very high130 Ų13075.7 Ų75.757%0.5734%0.344SS*.Hα-helixtrans-58.8-49.6178.8-68.4-61.7000112.2R35 S41 Q42 E43R35-F39 HydrophobicContact CB-CE2 4.45Å; R35-F39 WeakPolarHBondContact O-CD2 3.42Å; R35-F39 PolarHBondContact O-N 3.36Å; R35-F39 VanDerWaalsContact O-N 3.15Å; F39-S41 VanDerWaalsContact C-N 3.27Å; F39-S41 PolarHBondContact O-N 3.33Å; F39-Q42 WeakPolarHBondContact O-CB 3.28Å; F39-Q42 PolarHBondContact O-N 3.22Å; F39-E43 WeakPolarHBondContact O-CG 3.43Å; F39-E43 PolarHBondContact O-N 2.97Å
40L97.6Very high97.6Very high99 Ų9976.9 Ų76.952%0.51834%0.343SS..Hα-helixtrans-59.6-37.2-179.8-179.361.6000112.7R36 C38 E44R36-L40 VanDerWaalsContact O-CB 3.3Å; R36-L40 WeakPolarHBondContact O-CB 3.45Å; R36-L40 PolarHBondContact O-N 2.9Å; C38-L40 PolarHBondContact O-N 3.37Å; L40-E44 VanDerWaalsContact O-CB 3.27Å; L40-E44 WeakPolarHBondContact O-CB 3.44Å; L40-E44 PolarHBondContact O-N 3.02Å; L40-E44 VanDerWaalsContact O-N 3.11Å
41S97.9Very high97.5Very high4 Ų478.2 Ų78.23%0.02835%0.35CS..Hα-helixtrans-75.2-23.3174.4-76.20000113.8I37 C38 F39 N45 S77 R80I37-S41 WeakPolarHBondContact O-CB 3.48Å; I37-S41 PolarHBondContact O-N 3.24Å; I37-S41 VanDerWaalsContact O-N 3.08Å; I37-S41 PolarHBondContact O-OG 2.92Å; C38-S41 PolarHBondContact O-N 3.47Å; F39-S41 VanDerWaalsContact C-N 3.27Å; F39-S41 PolarHBondContact O-N 3.33Å; S41-N45 WeakPolarHBondContact O-CB 3.29Å; S41-N45 PolarHBondContact O-N 2.77Å; S41-S77 WeakPolarHBondContact CB-O 3.14Å; S41-S77 WeakPolarHBondContact O-CB 3.42Å; S41-S77 PolarHBondContact OG-O 3.49Å; S41-R80 PolarHBondContact OG-NH1 3.27Å
42Q97.3Very high97.4Very high99 Ų9979.8 Ų79.846%0.46335%0.352SS..Hα-helixtrans-70.4-55171.3-73.1165.6-53.400109.9C38 F39 E44 N45 E46C38-Q42 WeakPolarHBondContact O-CG 3.47Å; C38-Q42 PolarHBondContact O-N 3.02Å; C38-Q42 PolarHBondContact O-OE1 3.3Å; F39-Q42 WeakPolarHBondContact O-CB 3.28Å; F39-Q42 PolarHBondContact O-N 3.22Å; Q42-E44 PolarHBondContact O-N 3.49Å; Q42-N45 PolarHBondContact O-N 3.33Å; Q42-E46 PolarHBondContact O-N 3.35Å
43E98Very high97.4Very high128 Ų12878 Ų7860%0.59835%0.35SS*.Hα-helixtrans-56.2-46.9179-58.9-65.114000112.5F39 N45 E46 L47F39-E43 WeakPolarHBondContact O-CG 3.43Å; F39-E43 PolarHBondContact O-N 2.97Å; E43-N45 PolarHBondContact O-N 3.07Å; E43-E46 PolarHBondContact O-N 3.33Å; E43-L47 WeakPolarHBondContact O-CB 3.45Å; E43-L47 PolarHBondContact O-N 3.46Å
44E97.6Very high97.3Very high29 Ų2977.8 Ų77.814%0.13635%0.352CS..Hα-helixtrans-67.4-35179.6-177.8-170.1-140.700112.6L40 Q42 G48 L73 S76 S77 R80L40-E44 VanDerWaalsContact O-CB 3.27Å; L40-E44 WeakPolarHBondContact O-CB 3.44Å; L40-E44 PolarHBondContact O-N 3.02Å; L40-E44 VanDerWaalsContact O-N 3.11Å; Q42-E44 PolarHBondContact O-N 3.49Å; E44-G48 PolarHBondContact O-N 2.79Å; E44-L73 HydrophobicContact CG-CB 4Å; E44-L73 HydrophobicContact CG-CD2 4.07Å; E44-S76 VanDerWaalsContact OE1-CB 3.27Å; E44-S76 WeakPolarHBondContact OE1-CB 3.21Å; E44-S76 PolarHBondContact OE1-OG 3.37Å; E44-S76 PolarHBondContact OE2-OG 2.92Å; E44-S77 WeakPolarHBondContact OE2-CA 3.41Å; E44-S77 VanDerWaalsContact OE2-CB 3.23Å; E44-S77 WeakPolarHBondContact OE2-CB 3.49Å; E44-S77 PolarHBondContact OE2-N 3.21Å; E44-R80 IonicContact OE1-NH2 2.67Å; E44-R80 PolarHBondContact OE1-NH2 3.11Å; E44-R80 VanDerWaalsContact OE1-NH2 3.09Å; E44-R80 IonicContact OE2-CZ 3.54Å; E44-R80 IonicContact OE2-NH1 3.48Å; E44-R80 PolarHBondContact OE2-NH1 2.84Å; E44-R80 IonicContact OE2-NH2 2.73Å; E44-R80 PolarHBondContact OE2-NH2 3.49Å
45N97Very high97.1Very high30 Ų3076.4 Ų76.416%0.1635%0.346CS..Hα-helixtrans-69.9-36.9174.6169.159.1000111.7S41 Q42 E43 G48 R49 S77S41-N45 WeakPolarHBondContact O-CB 3.29Å; S41-N45 PolarHBondContact O-N 2.77Å; Q42-N45 PolarHBondContact O-N 3.33Å; E43-N45 PolarHBondContact O-N 3.07Å; N45-G48 PolarHBondContact O-N 3.5Å; N45-R49 VanDerWaalsContact ND2-CZ 3.26Å; N45-R49 PolarHBondContact ND2-NE 3.06Å; N45-R49 PolarHBondContact ND2-NH2 3.31Å; N45-R49 VanDerWaalsContact O-CG 3.26Å; N45-R49 WeakPolarHBondContact O-CG 3.46Å; N45-R49 PolarHBondContact O-N 3.22Å; N45-R49 PolarHBondContact OD1-NE 3.47Å; N45-S77 WeakPolarHBondContact CB-OG 3.46Å
46E98Very high97Very high117 Ų11772.8 Ų72.855%0.54734%0.344SS..Hα-helixtrans-69-42.3175.3-72.3-176.6-160.300111.6Q42 E43 G48 R49 F50Q42-E46 PolarHBondContact O-N 3.35Å; E43-E46 PolarHBondContact O-N 3.33Å; E46-G48 VanDerWaalsContact C-N 3.33Å; E46-G48 PolarHBondContact O-N 2.91Å; E46-R49 PolarHBondContact O-N 3.44Å; E46-F50 WeakPolarHBondContact O-CB 3.47Å; E46-F50 PolarHBondContact O-N 2.92Å
47L98.1Very high96.8Very high89 Ų8971.4 Ų71.447%0.46634%0.344SS..Hα-helixtrans-58.5-43.5168.7179.759.5000111.6E43 R49 F50 L51 L73E43-L47 WeakPolarHBondContact O-CB 3.45Å; E43-L47 PolarHBondContact O-N 3.46Å; L47-R49 PolarHBondContact O-N 2.93Å; L47-F50 HydrophobicContact CD1-CD1 4.48Å; L47-F50 PolarHBondContact O-N 2.9Å; L47-L51 HydrophobicContact CD1-CD1 4.44Å; L47-L51 HydrophobicContact CD1-CG 4.17Å; L47-L51 HydrophobicContact CG-CD1 4.42Å; L47-L51 WeakPolarHBondContact O-CG 3.36Å; L47-L51 PolarHBondContact O-N 2.72Å; L47-L73 HydrophobicContact CB-CD1 4.49Å; L47-L73 HydrophobicContact CD2-CD1 3.87Å; L47-L73 HydrophobicContact CG-CD1 3.84Å
48G97Very high96.6Very high0 Ų074.1 Ų74.10%036%0.358CS..Hα-helixtrans-60.8-40.7176.400000113.5E44 N45 E46 R52 G70E44-G48 PolarHBondContact O-N 2.79Å; N45-G48 PolarHBondContact O-N 3.5Å; E46-G48 VanDerWaalsContact C-N 3.33Å; E46-G48 PolarHBondContact O-N 2.91Å; G48-R52 WeakPolarHBondContact O-CG 3.16Å; G48-R52 PolarHBondContact O-N 3.01Å; G48-R52 VanDerWaalsContact O-N 3.14Å; G48-G70 WeakPolarHBondContact CA-O 3.46Å; G48-G70 CarbonylContact O-C 3.58Å; G48-G70 VanDerWaalsContact O-CA 3.29Å; G48-G70 WeakPolarHBondContact O-CA 3.38Å
49R97.1Very high96.4Very high151 Ų15182.3 Ų82.357%0.5739%0.392SS*.Hα-helixtrans-66.3-43172.9-71.3166.1-179.4-169.4-3.4112N45 E46 L47 R52 S53N45-R49 VanDerWaalsContact ND2-CZ 3.26Å; N45-R49 PolarHBondContact ND2-NE 3.06Å; N45-R49 PolarHBondContact ND2-NH2 3.31Å; N45-R49 VanDerWaalsContact O-CG 3.26Å; N45-R49 WeakPolarHBondContact O-CG 3.46Å; N45-R49 PolarHBondContact O-N 3.22Å; N45-R49 PolarHBondContact OD1-NE 3.47Å; E46-R49 PolarHBondContact O-N 3.44Å; L47-R49 PolarHBondContact O-N 2.93Å; R49-R52 PolarHBondContact O-N 3.46Å; R49-S53 PolarHBondContact O-N 3.06Å
50F98.2Very high96Very high113 Ų11378.8 Ų78.850%0.49638%0.383SS..Hα-helixtrans-60.3-50.3177.2173.8-98000111.6E46 L47 R52 S53 Q54E46-F50 WeakPolarHBondContact O-CB 3.47Å; E46-F50 PolarHBondContact O-N 2.92Å; L47-F50 HydrophobicContact CD1-CD1 4.48Å; L47-F50 PolarHBondContact O-N 2.9Å; F50-R52 VanDerWaalsContact C-N 3.31Å; F50-R52 PolarHBondContact O-N 2.82Å; F50-S53 WeakPolarHBondContact O-CB 3.46Å; F50-S53 PolarHBondContact O-N 3.37Å; F50-Q54 HydrophobicContact CD1-CG 4.28Å; F50-Q54 HydrophobicContact CD2-CG 4.21Å; F50-Q54 HydrophobicContact CE1-CG 3.83Å; F50-Q54 HydrophobicContact CE2-CG 3.75Å; F50-Q54 HydrophobicContact CG-CG 4.46Å; F50-Q54 HydrophobicContact CZ-CG 3.54Å; F50-Q54 PolarHBondContact O-N 3.08Å
51L96.8Very high95.4Very high34 Ų3477 Ų7718%0.17837%0.369CS..Hα-helixtrans-60.9-37.6177.5-67.7-177000112.3L47 S53 G55 M66 T69 L73L47-L51 HydrophobicContact CD1-CD1 4.44Å; L47-L51 HydrophobicContact CD1-CG 4.17Å; L47-L51 HydrophobicContact CG-CD1 4.42Å; L47-L51 WeakPolarHBondContact O-CG 3.36Å; L47-L51 PolarHBondContact O-N 2.72Å; L51-S53 VanDerWaalsContact C-N 3.34Å; L51-S53 PolarHBondContact O-N 3.1Å; L51-G55 PolarHBondContact O-N 3.24Å; L51-M66 HydrophobicContact CB-CG 3.9Å; L51-M66 HydrophobicContact CD2-CG 3.83Å; L51-M66 HydrophobicContact CD2-SD 4.12Å; L51-M66 HydrophobicContact CG-CG 4.38Å; L51-M66 WeakPolarHBondContact O-CG 3.47Å; L51-T69 HydrophobicContact CD1-CG2 3.89Å; L51-L73 HydrophobicContact CD1-CD1 3.87Å
52R95.4Very high95Very high109 Ų10979.4 Ų79.441%0.41139%0.389SS..Hα-helixtrans-65.1-34.1172.3-75.5174.162.7-173.9-0.9113.4G48 R49 F50 S56 K71G48-R52 WeakPolarHBondContact O-CG 3.16Å; G48-R52 PolarHBondContact O-N 3.01Å; G48-R52 VanDerWaalsContact O-N 3.14Å; R49-R52 PolarHBondContact O-N 3.46Å; F50-R52 VanDerWaalsContact C-N 3.31Å; F50-R52 PolarHBondContact O-N 2.82Å; R52-S56 WeakPolarHBondContact O-CB 3.09Å; R52-S56 PolarHBondContact O-N 2.84Å; R52-S56 PolarHBondContact O-OG 3.32Å; R52-K71 HydrophobicContact CG-CG 4.47Å
53S96.6Very high94.7Very high62 Ų6274.7 Ų74.743%0.43437%0.367SS..Hα-helixtrans-75.6-41.9178.5-175.10000112.7R49 F50 L51 S56 Q57R49-S53 PolarHBondContact O-N 3.06Å; F50-S53 WeakPolarHBondContact O-CB 3.46Å; F50-S53 PolarHBondContact O-N 3.37Å; L51-S53 VanDerWaalsContact C-N 3.34Å; L51-S53 PolarHBondContact O-N 3.1Å; S53-S56 PolarHBondContact O-OG 3.32Å; S53-Q57 PolarHBondContact O-NE2 3.38Å
54Q96Very high94.3Very high76 Ų7672.9 Ų72.936%0.35536%0.358SS..Hα-helixtrans-70-46175.5-63.6-58.1-37.200110.9F50 S56 Q57 D58 M66F50-Q54 HydrophobicContact CD1-CG 4.28Å; F50-Q54 HydrophobicContact CD2-CG 4.21Å; F50-Q54 HydrophobicContact CE1-CG 3.83Å; F50-Q54 HydrophobicContact CE2-CG 3.75Å; F50-Q54 HydrophobicContact CG-CG 4.46Å; F50-Q54 HydrophobicContact CZ-CG 3.54Å; F50-Q54 PolarHBondContact O-N 3.08Å; Q54-S56 PolarHBondContact O-N 3.36Å; Q54-S56 VanDerWaalsContact O-N 3.14Å; Q54-Q57 WeakPolarHBondContact O-CB 3.46Å; Q54-Q57 PolarHBondContact O-N 3.24Å; Q54-D58 PolarHBondContact O-N 3.26Å; Q54-M66 HydrophobicContact CB-SD 3.57Å; Q54-M66 VanDerWaalsContact CB-SD 3.57Å
55G95Very high93.9Very high0 Ų071.9 Ų71.90%035%0.353CS..THydrogen-bonded Turntrans-67.1-10.8178.500000115.2L51 D58 G63 Q67L51-G55 PolarHBondContact O-N 3.24Å; G55-D58 VanDerWaalsContact O-O 3.12Å; G55-G63 CarbonylContact O-C 3.57Å; G55-Q67 WeakPolarHBondContact O-CG 3.31Å; G55-Q67 PolarHBondContact O-NE2 3.24Å
56S93.6Very high93.8Very high73 Ų7373.4 Ų73.451%0.5136%0.36SS..THydrogen-bonded Turntrans-89.2-15.6171.670.10000113.5R52 S53 Q54R52-S56 WeakPolarHBondContact O-CB 3.09Å; R52-S56 PolarHBondContact O-N 2.84Å; R52-S56 PolarHBondContact O-OG 3.32Å; S53-S56 PolarHBondContact O-OG 3.32Å; Q54-S56 PolarHBondContact O-N 3.36Å; Q54-S56 VanDerWaalsContact O-N 3.14Å
57Q94.9Very high93.5Very high128 Ų12871 Ų7160%0.59835%0.349SS*.THydrogen-bonded Turntrans-86.1-37.6173.5-65.8167.965.800111S53 Q54S53-Q57 PolarHBondContact O-NE2 3.38Å; Q54-Q57 WeakPolarHBondContact O-CB 3.46Å; Q54-Q57 PolarHBondContact O-N 3.24Å
58D92.9Very high93.2Very high62 Ų6267.1 Ų67.133%0.33233%0.33SS..  trans-77.9125.3170.4-17923.5000111.5Q54 G55 S60 G63Q54-D58 PolarHBondContact O-N 3.26Å; G55-D58 VanDerWaalsContact O-O 3.12Å; D58-S60 VanDerWaalsContact CG-OG 3.31Å; D58-S60 WeakPolarHBondContact OD1-CB 3.24Å; D58-S60 PolarHBondContact OD1-N 3.49Å; D58-S60 PolarHBondContact OD1-OG 3.21Å; D58-S60 WeakPolarHBondContact OD2-CB 3.25Å; D58-S60 PolarHBondContact OD2-OG 3.18Å; D58-G63 WeakPolarHBondContact OD2-CA 3.47Å; D58-G63 PolarHBondContact OD2-N 2.8Å
59K91.7Very high93.1Very high196 Ų19668.5 Ų68.585%0.85234%0.338SS*.  trans-90.9-6.4176-63.5-177.3-178.6179.10113.2
60S90Very high93.1Very high56 Ų5661.3 Ų61.339%0.39231%0.311SS..SBendtrans-70.2173.8178.793.50000112.2D58 A62 G63 K64D58-S60 VanDerWaalsContact CG-OG 3.31Å; D58-S60 WeakPolarHBondContact OD1-CB 3.24Å; D58-S60 PolarHBondContact OD1-N 3.49Å; D58-S60 PolarHBondContact OD1-OG 3.21Å; D58-S60 WeakPolarHBondContact OD2-CB 3.25Å; D58-S60 PolarHBondContact OD2-OG 3.18Å; S60-A62 PolarHBondContact O-N 3.26Å; S60-A62 WeakPolarHBondContact OG-CB 3.3Å; S60-A62 PolarHBondContact OG-N 2.95Å; S60-G63 PolarHBondContact O-N 3.22Å; S60-K64 PolarHBondContact O-N 3.27Å; S60-K64 VanDerWaalsContact O-N 3.14Å
61R84.1Confident92.9Very high60 Ų6058.4 Ų58.423%0.22630%0.298CS..Hα-helixtrans-57.2-35.2170.4-170.5-179.6-171.9153.4-0.5112.2K64 I65 G211 C212 E268R61-K64 PolarHBondContact O-N 3.37Å; R61-I65 HydrophobicContact CG-CD1 3.94Å; R61-I65 WeakPolarHBondContact O-CB 3.49Å; R61-I65 WeakPolarHBondContact O-CG1 3.32Å; R61-I65 PolarHBondContact O-N 2.91Å; R61-G211 PolarHBondContact NH1-O 2.85Å; R61-G211 VanDerWaalsContact NH2-C 3.28Å; R61-G211 VanDerWaalsContact NH2-CA 3.35Å; R61-C212 PolarHBondContact NE-SG 2.89Å; R61-E268 VanDerWaalsContact CZ-CD 3.44Å; R61-E268 IonicContact CZ-OE1 2.89Å; R61-E268 IonicContact CZ-OE2 2.7Å; R61-E268 VanDerWaalsContact CZ-OE2 3.26Å; R61-E268 IonicContact NH1-OE1 3.13Å; R61-E268 PolarHBondContact NH1-OE1 3.33Å; R61-E268 IonicContact NH1-OE2 2.73Å; R61-E268 PolarHBondContact NH1-OE2 2.96Å; R61-E268 VanDerWaalsContact NH2-CD 3.3Å; R61-E268 IonicContact NH2-OE1 2.66Å; R61-E268 PolarHBondContact NH2-OE1 3.47Å; R61-E268 IonicContact NH2-OE2 3.58Å
62A88.9Confident92.8Very high55 Ų5556.9 Ų56.946%0.45529%0.291SS..Hα-helixtrans-63.3-42.5176.900000111.1S60 I65 M66S60-A62 PolarHBondContact O-N 3.26Å; S60-A62 WeakPolarHBondContact OG-CB 3.3Å; S60-A62 PolarHBondContact OG-N 2.95Å; A62-I65 PolarHBondContact O-N 3.4Å; A62-M66 VanDerWaalsContact O-CB 3.24Å; A62-M66 WeakPolarHBondContact O-CB 3.42Å; A62-M66 PolarHBondContact O-N 3.01Å
63G91.6Very high92.8Very high0 Ų052.8 Ų52.80%028%0.277CS..Hα-helixtrans-59.2-49.4172.300000113.4G55 D58 S60 I65 M66 Q67G55-G63 CarbonylContact O-C 3.57Å; D58-G63 WeakPolarHBondContact OD2-CA 3.47Å; D58-G63 PolarHBondContact OD2-N 2.8Å; S60-G63 PolarHBondContact O-N 3.22Å; G63-I65 VanDerWaalsContact C-N 3.31Å; G63-I65 PolarHBondContact O-N 3.33Å; G63-M66 PolarHBondContact O-N 2.68Å; G63-Q67 WeakPolarHBondContact O-CG 3.46Å; G63-Q67 PolarHBondContact O-N 3.43Å
64K89.7Confident92.7Very high90 Ų9050 Ų5039%0.39126%0.258SS..Hα-helixtrans-54.8-46.4174.4-65.9-165.1-176.1-174.30111.4S60 R61 Q67 A68 L272S60-K64 PolarHBondContact O-N 3.27Å; S60-K64 VanDerWaalsContact O-N 3.14Å; R61-K64 PolarHBondContact O-N 3.37Å; K64-Q67 PolarHBondContact O-N 3.39Å; K64-A68 PolarHBondContact O-N 3.08Å; K64-A68 VanDerWaalsContact O-N 3.15Å; K64-L272 HydrophobicContact CB-CD1 4.46Å; K64-L272 HydrophobicContact CD-CD1 3.65Å
65I89.8Confident92.7Very high9 Ų946.5 Ų46.55%0.04624%0.241CC..Hα-helixtrans-67.1-38.6178.6-74.5173.6000112.4R61 A62 G63 Q67 A68 T69 F209 C212R61-I65 HydrophobicContact CG-CD1 3.94Å; R61-I65 WeakPolarHBondContact O-CB 3.49Å; R61-I65 WeakPolarHBondContact O-CG1 3.32Å; R61-I65 PolarHBondContact O-N 2.91Å; A62-I65 PolarHBondContact O-N 3.4Å; G63-I65 VanDerWaalsContact C-N 3.31Å; G63-I65 PolarHBondContact O-N 3.33Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.48Å; I65-A68 PolarHBondContact O-N 3.23Å; I65-T69 PolarHBondContact O-N 2.82Å; I65-T69 PolarHBondContact O-OG1 3.26Å; I65-F209 HydrophobicContact CD1-CD1 4.33Å; I65-F209 HydrophobicContact CG2-CD1 4.22Å; I65-F209 HydrophobicContact CG2-CD2 4.07Å; I65-F209 HydrophobicContact CG2-CE1 3.63Å; I65-F209 HydrophobicContact CG2-CE2 3.44Å; I65-F209 VanDerWaalsContact CG2-CE2 3.44Å; I65-F209 HydrophobicContact CG2-CG 4.44Å; I65-F209 HydrophobicContact CG2-CZ 3.2Å; I65-C212 WeakPolarHBondContact CD1-SG 3.41Å
66M93.6Very high92.7Very high62 Ų6246.7 Ų46.731%0.30524%0.243SC..Hα-helixtrans-65.6-38.3178.1-166.2-173.9-58.600111.1L51 Q54 A62 G63 G70L51-M66 HydrophobicContact CB-CG 3.9Å; L51-M66 HydrophobicContact CD2-CG 3.83Å; L51-M66 HydrophobicContact CD2-SD 4.12Å; L51-M66 HydrophobicContact CG-CG 4.38Å; L51-M66 WeakPolarHBondContact O-CG 3.47Å; Q54-M66 HydrophobicContact CB-SD 3.57Å; Q54-M66 VanDerWaalsContact CB-SD 3.57Å; A62-M66 VanDerWaalsContact O-CB 3.24Å; A62-M66 WeakPolarHBondContact O-CB 3.42Å; A62-M66 PolarHBondContact O-N 3.01Å; G63-M66 PolarHBondContact O-N 2.68Å; M66-G70 PolarHBondContact O-N 3.02Å
67Q93.1Very high92.8Very high65 Ų6543.3 Ų43.330%0.30422%0.219SC..Hα-helixtrans-64.2-41.2170.6-67.6-176.85500112.7G55 G63 K64 I65 G70 K71G55-Q67 WeakPolarHBondContact O-CG 3.31Å; G55-Q67 PolarHBondContact O-NE2 3.24Å; G63-Q67 WeakPolarHBondContact O-CG 3.46Å; G63-Q67 PolarHBondContact O-N 3.43Å; K64-Q67 PolarHBondContact O-N 3.39Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.48Å; Q67-G70 PolarHBondContact O-N 3.19Å; Q67-K71 WeakPolarHBondContact O-CG 3.4Å; Q67-K71 PolarHBondContact O-N 2.98Å
68A92.3Very high92.8Very high9 Ų939.5 Ų39.57%0.07420%0.201CC..Hα-helixtrans-64.7-47.5177.500000111.7K64 I65 G70 K71 A72 I205 L279K64-A68 PolarHBondContact O-N 3.08Å; K64-A68 VanDerWaalsContact O-N 3.15Å; I65-A68 PolarHBondContact O-N 3.23Å; A68-G70 VanDerWaalsContact C-N 3.34Å; A68-G70 PolarHBondContact O-N 3.36Å; A68-K71 WeakPolarHBondContact O-CB 3.29Å; A68-K71 PolarHBondContact O-N 3.3Å; A68-A72 PolarHBondContact O-N 3.38Å; A68-I205 HydrophobicContact CB-CD1 4.47Å; A68-I205 HydrophobicContact CB-CG1 4.43Å; A68-I205 WeakPolarHBondContact O-CD1 3.17Å; A68-L279 HydrophobicContact CB-CD1 4.44Å
69T94.4Very high92.8Very high29 Ų2938.4 Ų38.418%0.17819%0.194CC..Hα-helixtrans-55.5-48.4172.3-55.10000111L51 I65 K71 A72 L73L51-T69 HydrophobicContact CD1-CG2 3.89Å; I65-T69 PolarHBondContact O-N 2.82Å; I65-T69 PolarHBondContact O-OG1 3.26Å; T69-K71 PolarHBondContact O-N 2.64Å; T69-A72 PolarHBondContact O-N 2.91Å; T69-A72 VanDerWaalsContact O-N 3.13Å; T69-L73 WeakPolarHBondContact O-CG 3.46Å; T69-L73 PolarHBondContact O-N 2.94Å
70G95.8Very high93Very high0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-64-37.1179.500000114G48 M66 Q67 A68 L73 C74G48-G70 WeakPolarHBondContact CA-O 3.46Å; G48-G70 CarbonylContact O-C 3.58Å; G48-G70 VanDerWaalsContact O-CA 3.29Å; G48-G70 WeakPolarHBondContact O-CA 3.38Å; M66-G70 PolarHBondContact O-N 3.02Å; Q67-G70 PolarHBondContact O-N 3.19Å; A68-G70 VanDerWaalsContact C-N 3.34Å; A68-G70 PolarHBondContact O-N 3.36Å; G70-L73 PolarHBondContact O-N 3.45Å; G70-C74 PolarHBondContact O-N 3Å; G70-C74 VanDerWaalsContact O-N 3.16Å; G70-C74 PolarHBondContact O-SG 3.14Å
71K94.1Very high93.3Very high51 Ų5129 Ų2922%0.22215%0.147CC..Hα-helixtrans-60.1-44.8170.1-75.9172.4178.7172.20111.4R52 Q67 A68 T69 C74 F75 N276 L279R52-K71 HydrophobicContact CG-CG 4.47Å; Q67-K71 WeakPolarHBondContact O-CG 3.4Å; Q67-K71 PolarHBondContact O-N 2.98Å; A68-K71 WeakPolarHBondContact O-CB 3.29Å; A68-K71 PolarHBondContact O-N 3.3Å; T69-K71 PolarHBondContact O-N 2.64Å; K71-C74 PolarHBondContact O-N 3.29Å; K71-F75 PolarHBondContact O-N 2.91Å; K71-N276 PolarHBondContact NZ-OD1 3.3Å; K71-L279 HydrophobicContact CB-CD1 4.03Å; K71-L279 HydrophobicContact CB-CD2 4.19Å; K71-L279 HydrophobicContact CD-CD1 4.03Å
72A94.5Very high93.8Very high3 Ų327.6 Ų27.63%0.02515%0.148CC..Hα-helixtrans-67.8-34.2-179.900000113.8A68 T69 F75 S76 T201 I205 L279A68-A72 PolarHBondContact O-N 3.38Å; T69-A72 PolarHBondContact O-N 2.91Å; T69-A72 VanDerWaalsContact O-N 3.13Å; A72-F75 PolarHBondContact O-N 3.41Å; A72-S76 VanDerWaalsContact O-CB 3.31Å; A72-S76 WeakPolarHBondContact O-CB 3.49Å; A72-S76 PolarHBondContact O-N 3.46Å; A72-T201 HydrophobicContact CB-CG2 3.69Å; A72-I205 HydrophobicContact CB-CD1 3.37Å; A72-L279 HydrophobicContact CB-CD2 4.28Å
73L95.6Very high94.1Very high22 Ų2225 Ų2512%0.11513%0.126CC..Hα-helixtrans-67.9-40.8173.2-66.1-176.4000112.1E44 L47 L51 T69 G70 F75 S76 S77 M202E44-L73 HydrophobicContact CG-CB 4Å; E44-L73 HydrophobicContact CG-CD2 4.07Å; L47-L73 HydrophobicContact CB-CD1 4.49Å; L47-L73 HydrophobicContact CD2-CD1 3.87Å; L47-L73 HydrophobicContact CG-CD1 3.84Å; L51-L73 HydrophobicContact CD1-CD1 3.87Å; T69-L73 WeakPolarHBondContact O-CG 3.46Å; T69-L73 PolarHBondContact O-N 2.94Å; G70-L73 PolarHBondContact O-N 3.45Å; L73-F75 VanDerWaalsContact C-N 3.31Å; L73-F75 PolarHBondContact O-N 3.23Å; L73-S76 PolarHBondContact O-N 2.93Å; L73-S77 WeakPolarHBondContact O-CB 3.35Å; L73-S77 PolarHBondContact O-N 3.29Å; L73-S77 PolarHBondContact O-OG 2.9Å; L73-M202 HydrophobicContact CD2-CE 4.33Å
74C95.8Very high94.4Very high4 Ų429.4 Ų29.43%0.02714%0.143CC..Hα-helixtrans-61.1-37.7170.3-70.40000112.3G70 K71 S77 Q78 F283G70-C74 PolarHBondContact O-N 3Å; G70-C74 VanDerWaalsContact O-N 3.16Å; G70-C74 PolarHBondContact O-SG 3.14Å; K71-C74 PolarHBondContact O-N 3.29Å; C74-S77 WeakPolarHBondContact CA-OG 3.44Å; C74-S77 PolarHBondContact O-OG 3.25Å; C74-Q78 VanDerWaalsContact O-CG 3.28Å; C74-Q78 WeakPolarHBondContact O-CG 3.48Å; C74-Q78 PolarHBondContact O-N 3.23Å; C74-F283 HydrophobicContact CB-CZ 4.07Å
75F94.6Very high94.7Very high3 Ų330.8 Ų30.81%0.01315%0.149CC..Hα-helixtrans-69-48.5175.5174.6-112000112.5K71 A72 L73 S77 Q78 Q79 K197 T201 L282 F283K71-F75 PolarHBondContact O-N 2.91Å; A72-F75 PolarHBondContact O-N 3.41Å; L73-F75 VanDerWaalsContact C-N 3.31Å; L73-F75 PolarHBondContact O-N 3.23Å; F75-S77 VanDerWaalsContact C-N 3.33Å; F75-S77 PolarHBondContact O-N 3.4Å; F75-Q78 PolarHBondContact O-N 2.9Å; F75-Q79 HydrophobicContact CD1-CG 4.36Å; F75-Q79 HydrophobicContact CD2-CG 3.84Å; F75-Q79 HydrophobicContact CE1-CG 4Å; F75-Q79 HydrophobicContact CE2-CG 3.41Å; F75-Q79 VanDerWaalsContact CE2-CG 3.41Å; F75-Q79 HydrophobicContact CG-CG 4.29Å; F75-Q79 HydrophobicContact CZ-CG 3.53Å; F75-Q79 WeakPolarHBondContact O-CB 3.44Å; F75-Q79 VanDerWaalsContact O-CG 3.29Å; F75-Q79 WeakPolarHBondContact O-CG 3.34Å; F75-Q79 PolarHBondContact O-N 2.98Å; F75-K197 HydrophobicContact CE1-CB 4.11Å; F75-K197 HydrophobicContact CZ-CB 4.09Å; F75-K197 HydrophobicContact CZ-CD 4.24Å; F75-T201 HydrophobicContact CD1-CG2 4.2Å; F75-T201 VanDerWaalsContact CE1-OG1 3.31Å; F75-T201 WeakPolarHBondContact CE1-OG1 3.43Å; F75-L282 HydrophobicContact CD2-CB 4.19Å; F75-L282 HydrophobicContact CE1-CD1 4Å; F75-L282 HydrophobicContact CE2-CB 3.68Å; F75-L282 HydrophobicContact CE2-CD2 4.46Å; F75-L282 HydrophobicContact CE2-CG 4.45Å; F75-L282 WeakPolarHBondContact CE2-O 3.23Å; F75-L282 HydrophobicContact CZ-CB 3.87Å; F75-L282 HydrophobicContact CZ-CD1 3.92Å; F75-L282 HydrophobicContact CZ-CD2 4Å; F75-L282 HydrophobicContact CZ-CG 4.15Å; F75-F283 HydrophobicContact CB-CE2 3.93Å; F75-F283 HydrophobicContact CB-CZ 4.47Å
76S95.9Very high95Very high4 Ų431 Ų313%0.02815%0.15CC..Hα-helixtrans-54-48176.6172.20000111.7E44 A72 L73 Q79 R80 F194E44-S76 VanDerWaalsContact OE1-CB 3.27Å; E44-S76 WeakPolarHBondContact OE1-CB 3.21Å; E44-S76 PolarHBondContact OE1-OG 3.37Å; E44-S76 PolarHBondContact OE2-OG 2.92Å; A72-S76 VanDerWaalsContact O-CB 3.31Å; A72-S76 WeakPolarHBondContact O-CB 3.49Å; A72-S76 PolarHBondContact O-N 3.46Å; L73-S76 PolarHBondContact O-N 2.93Å; S76-Q79 PolarHBondContact O-N 3.42Å; S76-R80 WeakPolarHBondContact O-CB 3.46Å; S76-R80 PolarHBondContact O-N 3.07Å; S76-R80 PolarHBondContact OG-NH2 2.94Å; S76-F194 WeakPolarHBondContact O-CE2 3.44Å
77S96.6Very high95.2Very high2 Ų228.2 Ų28.21%0.01414%0.137CC..Hα-helixtrans-62.4-47.6179.743.70000112.4S41 E44 N45 L73 C74 F75 R80 L81S41-S77 WeakPolarHBondContact CB-O 3.14Å; S41-S77 WeakPolarHBondContact O-CB 3.42Å; S41-S77 PolarHBondContact OG-O 3.49Å; E44-S77 WeakPolarHBondContact OE2-CA 3.41Å; E44-S77 VanDerWaalsContact OE2-CB 3.23Å; E44-S77 WeakPolarHBondContact OE2-CB 3.49Å; E44-S77 PolarHBondContact OE2-N 3.21Å; N45-S77 WeakPolarHBondContact CB-OG 3.46Å; L73-S77 WeakPolarHBondContact O-CB 3.35Å; L73-S77 PolarHBondContact O-N 3.29Å; L73-S77 PolarHBondContact O-OG 2.9Å; C74-S77 WeakPolarHBondContact CA-OG 3.44Å; C74-S77 PolarHBondContact O-OG 3.25Å; F75-S77 VanDerWaalsContact C-N 3.33Å; F75-S77 PolarHBondContact O-N 3.4Å; S77-R80 PolarHBondContact O-N 3.28Å; S77-L81 WeakPolarHBondContact O-CG 3.5Å; S77-L81 PolarHBondContact O-N 3.33Å
78Q93.7Very high95.4Very high48 Ų4827.6 Ų27.622%0.22414%0.139CC..Hα-helixtrans-59.8-46.3173.8-72.8175.4-15.700112C74 F75 R80 L81C74-Q78 VanDerWaalsContact O-CG 3.28Å; C74-Q78 WeakPolarHBondContact O-CG 3.48Å; C74-Q78 PolarHBondContact O-N 3.23Å; F75-Q78 PolarHBondContact O-N 2.9Å; Q78-R80 VanDerWaalsContact C-N 3.33Å; Q78-R80 PolarHBondContact O-N 3.39Å; Q78-L81 WeakPolarHBondContact O-CB 3.4Å; Q78-L81 PolarHBondContact O-N 3.18Å; Q78-L81 VanDerWaalsContact O-N 3.15Å
79Q93.9Very high95.7Very high39 Ų3932.7 Ų32.718%0.18216%0.157CC..Hα-helixtrans-65.2-33.8-179.7-75.5-68.3108.900112.9F75 S76 L81 A82 F194 K197F75-Q79 HydrophobicContact CD1-CG 4.36Å; F75-Q79 HydrophobicContact CD2-CG 3.84Å; F75-Q79 HydrophobicContact CE1-CG 4Å; F75-Q79 HydrophobicContact CE2-CG 3.41Å; F75-Q79 VanDerWaalsContact CE2-CG 3.41Å; F75-Q79 HydrophobicContact CG-CG 4.29Å; F75-Q79 HydrophobicContact CZ-CG 3.53Å; F75-Q79 WeakPolarHBondContact O-CB 3.44Å; F75-Q79 VanDerWaalsContact O-CG 3.29Å; F75-Q79 WeakPolarHBondContact O-CG 3.34Å; F75-Q79 PolarHBondContact O-N 2.98Å; S76-Q79 PolarHBondContact O-N 3.42Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-A82 WeakPolarHBondContact O-CB 3.33Å; Q79-A82 PolarHBondContact O-N 3.08Å; Q79-F194 HydrophobicContact CB-CD2 3.96Å; Q79-K197 VanDerWaalsContact NE2-CD 3.34Å
80R96.1Very high95.8Very high27 Ų2731.7 Ų31.710%0.10215%0.15CC..Hα-helixtrans-66.5-36.3173.7-168.6-171.6-58104.27.8111.8I37 S41 E44 S76 S77 Q78 A82 L83 F194I37-R80 HydrophobicContact CG2-CG 4.23Å; S41-R80 PolarHBondContact OG-NH1 3.27Å; E44-R80 IonicContact OE1-NH2 2.67Å; E44-R80 PolarHBondContact OE1-NH2 3.11Å; E44-R80 VanDerWaalsContact OE1-NH2 3.09Å; E44-R80 IonicContact OE2-CZ 3.54Å; E44-R80 IonicContact OE2-NH1 3.48Å; E44-R80 PolarHBondContact OE2-NH1 2.84Å; E44-R80 IonicContact OE2-NH2 2.73Å; E44-R80 PolarHBondContact OE2-NH2 3.49Å; S76-R80 WeakPolarHBondContact O-CB 3.46Å; S76-R80 PolarHBondContact O-N 3.07Å; S76-R80 PolarHBondContact OG-NH2 2.94Å; S77-R80 PolarHBondContact O-N 3.28Å; Q78-R80 VanDerWaalsContact C-N 3.33Å; Q78-R80 PolarHBondContact O-N 3.39Å; R80-A82 PolarHBondContact O-N 2.95Å; R80-L83 HydrophobicContact CG-CD1 4Å; R80-L83 VanDerWaalsContact O-CB 3.25Å; R80-L83 WeakPolarHBondContact O-CB 3.4Å; R80-L83 WeakPolarHBondContact O-CD1 3.46Å; R80-L83 VanDerWaalsContact O-CG 3.27Å; R80-L83 WeakPolarHBondContact O-CG 3.49Å; R80-L83 PolarHBondContact O-N 3.47Å; R80-F194 HydrophobicContact CB-CD2 4.02Å; R80-F194 HydrophobicContact CB-CE2 3.6Å; R80-F194 HydrophobicContact CB-CZ 3.99Å; R80-F194 HydrophobicContact CG-CE1 4.49Å; R80-F194 HydrophobicContact CG-CE2 4.23Å; R80-F194 HydrophobicContact CG-CZ 4.14Å
81L95.6Very high95.9Very high28 Ų2834.6 Ų34.615%0.14716%0.161CC..Hα-helixtrans-63.6-23.5-179.7-72179000113.1I37 S77 Q78 Q79 L83 R84 F287 W291I37-L81 HydrophobicContact CG2-CD2 4.09Å; S77-L81 WeakPolarHBondContact O-CG 3.5Å; S77-L81 PolarHBondContact O-N 3.33Å; Q78-L81 WeakPolarHBondContact O-CB 3.4Å; Q78-L81 PolarHBondContact O-N 3.18Å; Q78-L81 VanDerWaalsContact O-N 3.15Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.18Å; L81-L83 VanDerWaalsContact O-N 3.14Å; L81-R84 WeakPolarHBondContact O-CB 3.45Å; L81-R84 PolarHBondContact O-N 2.87Å; L81-R84 VanDerWaalsContact O-N 3.08Å; L81-F287 HydrophobicContact CB-CE1 4.25Å; L81-W291 HydrophobicContact CB-CH2 3.58Å; L81-W291 HydrophobicContact CB-CZ2 3.58Å; L81-W291 HydrophobicContact CD1-CE3 4.35Å; L81-W291 HydrophobicContact CD1-CH2 3.82Å; L81-W291 HydrophobicContact CD1-CZ2 4.14Å; L81-W291 HydrophobicContact CD1-CZ3 3.94Å; L81-W291 HydrophobicContact CD2-CH2 3.65Å; L81-W291 HydrophobicContact CD2-CZ3 3.99Å; L81-W291 HydrophobicContact CG-CH2 3.85Å; L81-W291 HydrophobicContact CG-CZ2 4.27Å; L81-W291 HydrophobicContact CG-CZ3 4.35Å
82A94.3Very high96.1Very high30 Ų3036.2 Ų36.225%0.24817%0.17CC..THydrogen-bonded Turntrans-57-25.617200000113.3Q79 R80 R84 K85 P86Q79-A82 WeakPolarHBondContact O-CB 3.33Å; Q79-A82 PolarHBondContact O-N 3.08Å; R80-A82 PolarHBondContact O-N 2.95Å; A82-R84 PolarHBondContact O-N 3.29Å; A82-K85 PolarHBondContact O-N 2.97Å; A82-P86 WeakPolarHBondContact O-CD 3.42Å
83L96.1Very high96.3Very high1 Ų138 Ų381%0.00518%0.178CC..THydrogen-bonded Turntrans-62.1-20.9176.1-63.2169.8000113.6I37 R80 L81 K85 P86 L87 Y187 T190 L191 F194I37-L83 HydrophobicContact CD1-CB 4.17Å; I37-L83 HydrophobicContact CD1-CD1 4.34Å; R80-L83 HydrophobicContact CG-CD1 4Å; R80-L83 VanDerWaalsContact O-CB 3.25Å; R80-L83 WeakPolarHBondContact O-CB 3.4Å; R80-L83 WeakPolarHBondContact O-CD1 3.46Å; R80-L83 VanDerWaalsContact O-CG 3.27Å; R80-L83 WeakPolarHBondContact O-CG 3.49Å; R80-L83 PolarHBondContact O-N 3.47Å; L81-L83 PolarHBondContact O-N 3.18Å; L81-L83 VanDerWaalsContact O-N 3.14Å; L83-K85 PolarHBondContact O-N 2.91Å; L83-P86 VanDerWaalsContact O-CD 3.29Å; L83-P86 WeakPolarHBondContact O-CD 3.29Å; L83-P86 WeakPolarHBondContact O-CG 3.42Å; L83-L87 HydrophobicContact CB-CD1 4.25Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 WeakPolarHBondContact O-CD1 3.47Å; L83-L87 VanDerWaalsContact O-CG 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 3.34Å; L83-L87 VanDerWaalsContact O-N 3.14Å; L83-Y187 HydrophobicContact CD2-CD2 4.48Å; L83-Y187 HydrophobicContact CD2-CE2 4.25Å; L83-T190 HydrophobicContact CD2-CG2 3.8Å; L83-L191 HydrophobicContact CD1-CD1 3.89Å; L83-L191 HydrophobicContact CD2-CB 4Å; L83-L191 HydrophobicContact CD2-CD1 4.07Å; L83-F194 HydrophobicContact CD1-CD1 4.49Å
84R96.6Very high96.4Very high92 Ų9237.1 Ų37.135%0.34717%0.173SC..Hα-helixtrans-63.5-37.9178.9-71-173.779.8-169.13.5113.1I37 L81 A82 L87 C88 W291I37-R84 HydrophobicContact CG2-CG 4.46Å; L81-R84 WeakPolarHBondContact O-CB 3.45Å; L81-R84 PolarHBondContact O-N 2.87Å; L81-R84 VanDerWaalsContact O-N 3.08Å; A82-R84 PolarHBondContact O-N 3.29Å; R84-L87 PolarHBondContact O-N 2.98Å; R84-C88 VanDerWaalsContact O-CB 3.26Å; R84-C88 WeakPolarHBondContact O-CB 3.39Å; R84-C88 PolarHBondContact O-N 3.39Å; R84-W291 HydrophobicContact CG-CH2 4.35Å
85K95.6Very high96.5Very high119 Ų11939.6 Ų39.652%0.51718%0.184SC..Hα-helixtrans-60.3-51.5-178.1-64.6-165.7-175.9-172.90112A82 L83 R89 E290A82-K85 PolarHBondContact O-N 2.97Å; L83-K85 PolarHBondContact O-N 2.91Å; K85-R89 PolarHBondContact O-N 2.84Å; K85-E290 WeakPolarHBondContact CE-OE2 3.44Å; K85-E290 IonicContact NZ-OE1 2.8Å; K85-E290 PolarHBondContact NZ-OE1 3.09Å; K85-E290 IonicContact NZ-OE2 2.65Å; K85-E290 PolarHBondContact NZ-OE2 3.25Å
86P97.1Very high96.7Very high12 Ų1243 Ų438%0.07821%0.205CC..Hα-helixtrans-70.7-31.3174.226.9-34.2000114.1A82 L83 R89 L90 T186 T190A82-P86 WeakPolarHBondContact O-CD 3.42Å; L83-P86 VanDerWaalsContact O-CD 3.29Å; L83-P86 WeakPolarHBondContact O-CD 3.29Å; L83-P86 WeakPolarHBondContact O-CG 3.42Å; P86-R89 PolarHBondContact O-N 3.47Å; P86-L90 WeakPolarHBondContact O-CB 3.16Å; P86-L90 PolarHBondContact O-N 3.01Å; P86-T186 HydrophobicContact CB-CG2 4.19Å; P86-T190 HydrophobicContact CG-CG2 4.27Å
87L97.6Very high96.8Very high4 Ų443.5 Ų43.52%0.02121%0.207CC..Hα-helixtrans-66.8-38.9175.8-74.5169.7000112.8I30 Y33 Q34 I37 L83 R84 L90 Y91 Y187I30-L87 HydrophobicContact CG2-CB 4.48Å; I30-L87 HydrophobicContact CG2-CD2 4.47Å; Y33-L87 HydrophobicContact CD1-CD1 3.68Å; Y33-L87 HydrophobicContact CD1-CD2 3.93Å; Y33-L87 HydrophobicContact CD1-CG 4.49Å; Y33-L87 HydrophobicContact CE1-CD1 3.7Å; Y33-L87 HydrophobicContact CE1-CD2 4.11Å; Q34-L87 HydrophobicContact CG-CB 3.69Å; Q34-L87 HydrophobicContact CG-CD1 3.9Å; Q34-L87 HydrophobicContact CG-CG 4.41Å; I37-L87 HydrophobicContact CD1-CD1 3.41Å; I37-L87 VanDerWaalsContact CD1-CD1 3.41Å; L83-L87 HydrophobicContact CB-CD1 4.25Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 WeakPolarHBondContact O-CD1 3.47Å; L83-L87 VanDerWaalsContact O-CG 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 3.34Å; L83-L87 VanDerWaalsContact O-N 3.14Å; R84-L87 PolarHBondContact O-N 2.98Å; L87-L90 PolarHBondContact O-N 3.31Å; L87-Y91 PolarHBondContact O-N 2.94Å; L87-Y187 HydrophobicContact CD1-CE2 4.25Å; L87-Y187 HydrophobicContact CD2-CD2 3.74Å; L87-Y187 HydrophobicContact CD2-CE2 3.67Å; L87-Y187 HydrophobicContact CD2-CG 4.42Å; L87-Y187 HydrophobicContact CG-CD2 3.88Å; L87-Y187 HydrophobicContact CG-CE2 3.93Å
88C97.3Very high96.9Very high53 Ų5345.4 Ų45.436%0.35821%0.214SC..Hα-helixtrans-63-44.1173-176.70000111R84 L90 Y91 Q92R84-C88 VanDerWaalsContact O-CB 3.26Å; R84-C88 WeakPolarHBondContact O-CB 3.39Å; R84-C88 PolarHBondContact O-N 3.39Å; C88-L90 VanDerWaalsContact C-N 3.34Å; C88-L90 PolarHBondContact O-N 3.1Å; C88-Y91 WeakPolarHBondContact O-CB 3.44Å; C88-Y91 PolarHBondContact O-N 3.33Å; C88-Q92 WeakPolarHBondContact O-CG 3.5Å; C88-Q92 PolarHBondContact O-N 3.34Å
89R97.6Very high97.1Very high116 Ų11650 Ų5044%0.43823%0.23SC..Hα-helixtrans-59.9-42.9174.2-169.872.6-171.2102.713.3112K85 P86 Q92 E93 V183K85-R89 PolarHBondContact O-N 2.84Å; P86-R89 PolarHBondContact O-N 3.47Å; R89-Q92 PolarHBondContact O-N 3.31Å; R89-E93 VanDerWaalsContact CZ-CD 3.48Å; R89-E93 IonicContact CZ-OE1 3.52Å; R89-E93 IonicContact NH1-OE1 3.81Å; R89-E93 PolarHBondContact NH1-OE1 3.46Å; R89-E93 IonicContact NH2-OE1 2.64Å; R89-E93 PolarHBondContact NH2-OE1 3.24Å; R89-E93 IonicContact NH2-OE2 2.73Å; R89-E93 PolarHBondContact NH2-OE2 2.8Å; R89-E93 WeakPolarHBondContact O-CG 3.33Å; R89-E93 PolarHBondContact O-N 3.47Å; R89-E93 VanDerWaalsContact O-N 3.09Å; R89-V183 HydrophobicContact CG-CG1 4.46Å
90L97.8Very high97.3Very high7 Ų757.2 Ų57.24%0.03726%0.256CS..Hα-helixtrans-61.7-42.5176.1-175.867.3000112.2I30 P86 L87 C88 I94 L180 V183 L184I30-L90 HydrophobicContact CD1-CB 4.47Å; I30-L90 HydrophobicContact CD1-CD2 3.63Å; I30-L90 HydrophobicContact CD1-CG 3.7Å; I30-L90 HydrophobicContact CG1-CD2 4.08Å; P86-L90 WeakPolarHBondContact O-CB 3.16Å; P86-L90 PolarHBondContact O-N 3.01Å; L87-L90 PolarHBondContact O-N 3.31Å; C88-L90 VanDerWaalsContact C-N 3.34Å; C88-L90 PolarHBondContact O-N 3.1Å; L90-I94 HydrophobicContact CD1-CD1 3.92Å; L90-I94 HydrophobicContact CG-CD1 3.87Å; L90-I94 WeakPolarHBondContact O-CD1 3.38Å; L90-I94 VanDerWaalsContact O-CG1 3.31Å; L90-I94 WeakPolarHBondContact O-CG1 3.5Å; L90-I94 PolarHBondContact O-N 3.24Å; L90-L180 HydrophobicContact CD1-CD2 4.45Å; L90-V183 HydrophobicContact CB-CG1 4.06Å; L90-V183 HydrophobicContact CD1-CB 4.09Å; L90-V183 HydrophobicContact CD1-CG1 3.74Å; L90-L184 HydrophobicContact CD1-CD2 3.84Å; L90-L184 HydrophobicContact CD1-CG 4.25Å; L90-L184 HydrophobicContact CD2-CD2 3.69Å; L90-L184 HydrophobicContact CG-CD2 4.44Å
91Y98.4Very high97.4Very high61 Ų6157.3 Ų57.324%0.23926%0.262CS..Hα-helixtrans-58.7-54.2174.3-175.1-79.4000111.2L27 I30 E31 L87 C88 E93 I94 E95L27-Y91 HydrophobicContact CB-CD2 4.36Å; L27-Y91 HydrophobicContact CB-CE2 3.94Å; L27-Y91 HydrophobicContact CD2-CD1 4.23Å; L27-Y91 HydrophobicContact CD2-CD2 3.61Å; L27-Y91 HydrophobicContact CD2-CE1 4.33Å; L27-Y91 HydrophobicContact CD2-CE2 3.75Å; L27-Y91 HydrophobicContact CD2-CG 3.84Å; L27-Y91 WeakPolarHBondContact CD2-O 3.43Å; L27-Y91 HydrophobicContact CG-CE2 4.31Å; I30-Y91 HydrophobicContact CG2-CD2 4.24Å; E31-Y91 HydrophobicContact CB-CE2 4.38Å; L87-Y91 PolarHBondContact O-N 2.94Å; C88-Y91 WeakPolarHBondContact O-CB 3.44Å; C88-Y91 PolarHBondContact O-N 3.33Å; Y91-E93 VanDerWaalsContact C-N 3.31Å; Y91-E93 PolarHBondContact O-N 3.11Å; Y91-I94 PolarHBondContact O-N 3.26Å; Y91-E95 HydrophobicContact CD1-CB 4.48Å; Y91-E95 HydrophobicContact CE1-CB 4.3Å; Y91-E95 WeakPolarHBondContact CE1-OE1 3.23Å; Y91-E95 WeakPolarHBondContact CE1-OE2 3.49Å; Y91-E95 VanDerWaalsContact O-CB 3.27Å; Y91-E95 WeakPolarHBondContact O-CB 3.15Å; Y91-E95 PolarHBondContact O-N 3Å; Y91-E95 PolarHBondContact OH-OE1 2.98Å
92Q98.1Very high97.5Very high85 Ų8556.4 Ų56.440%0.39726%0.257SS..Hα-helixtrans-57.3-39.8-178.5-70.2169.4-1100113.3C88 R89 T96C88-Q92 WeakPolarHBondContact O-CG 3.5Å; C88-Q92 PolarHBondContact O-N 3.34Å; R89-Q92 PolarHBondContact O-N 3.31Å; Q92-T96 VanDerWaalsContact O-CB 3.31Å; Q92-T96 WeakPolarHBondContact O-CB 3.27Å; Q92-T96 PolarHBondContact O-N 3.46Å; Q92-T96 PolarHBondContact O-OG1 3.24Å
93E98Very high97.7Very high42 Ų4257.3 Ų57.320%0.19626%0.262CS..Hα-helixtrans-69.8-44.4179.9-73.4-66.110400112.1R89 Y91 E95 T96 F97 L179 V183R89-E93 VanDerWaalsContact CZ-CD 3.48Å; R89-E93 IonicContact CZ-OE1 3.52Å; R89-E93 IonicContact NH1-OE1 3.81Å; R89-E93 PolarHBondContact NH1-OE1 3.46Å; R89-E93 IonicContact NH2-OE1 2.64Å; R89-E93 PolarHBondContact NH2-OE1 3.24Å; R89-E93 IonicContact NH2-OE2 2.73Å; R89-E93 PolarHBondContact NH2-OE2 2.8Å; R89-E93 WeakPolarHBondContact O-CG 3.33Å; R89-E93 PolarHBondContact O-N 3.47Å; R89-E93 VanDerWaalsContact O-N 3.09Å; Y91-E93 VanDerWaalsContact C-N 3.31Å; Y91-E93 PolarHBondContact O-N 3.11Å; E93-E95 VanDerWaalsContact C-N 3.33Å; E93-T96 PolarHBondContact O-N 3.35Å; E93-F97 VanDerWaalsContact O-CB 3.3Å; E93-F97 WeakPolarHBondContact O-CB 3.38Å; E93-F97 PolarHBondContact O-N 3.36Å; E93-L179 HydrophobicContact CB-CD1 4.14Å; E93-L179 WeakPolarHBondContact OE2-CD1 3.31Å; E93-V183 HydrophobicContact CB-CG2 4.23Å; E93-V183 HydrophobicContact CG-CG1 4.28Å; E93-V183 HydrophobicContact CG-CG2 3.9Å
94I98.1Very high97.8Very high2 Ų261 Ų611%0.0128%0.281CS..Hα-helixtrans-67.1-38.1176.5-64.4162000110.5C23 L26 L27 I30 L90 Y91 F97 R98 L180C23-I94 HydrophobicContact CB-CG2 4.14Å; C23-I94 WeakPolarHBondContact O-CG2 3.49Å; L26-I94 HydrophobicContact CD2-CD1 3.52Å; L26-I94 HydrophobicContact CG-CD1 3.79Å; L27-I94 HydrophobicContact CD2-CB 3.82Å; L27-I94 HydrophobicContact CD2-CG2 3.78Å; L27-I94 HydrophobicContact CG-CB 4.45Å; L27-I94 HydrophobicContact CG-CG2 3.85Å; I30-I94 HydrophobicContact CD1-CD1 3.55Å; L90-I94 HydrophobicContact CD1-CD1 3.92Å; L90-I94 HydrophobicContact CG-CD1 3.87Å; L90-I94 WeakPolarHBondContact O-CD1 3.38Å; L90-I94 VanDerWaalsContact O-CG1 3.31Å; L90-I94 WeakPolarHBondContact O-CG1 3.5Å; L90-I94 PolarHBondContact O-N 3.24Å; Y91-I94 PolarHBondContact O-N 3.26Å; I94-F97 PolarHBondContact O-N 3.43Å; I94-R98 WeakPolarHBondContact O-CB 3.36Å; I94-R98 VanDerWaalsContact O-CG 3.28Å; I94-R98 WeakPolarHBondContact O-CG 3.5Å; I94-R98 PolarHBondContact O-N 3.34Å; I94-L180 HydrophobicContact CD1-CD2 4.27Å; I94-L180 HydrophobicContact CG1-CD2 4.35Å
95E98.2Very high97.9Very high56 Ų5656.8 Ų56.826%0.26227%0.266SS..Hα-helixtrans-62.9-47.7175.4-177.3166.1-11300111.7L27 Y91 E93 F97 R98 Y99L27-E95 HydrophobicContact CD1-CB 4.28Å; L27-E95 HydrophobicContact CD2-CB 4.27Å; Y91-E95 HydrophobicContact CD1-CB 4.48Å; Y91-E95 HydrophobicContact CE1-CB 4.3Å; Y91-E95 WeakPolarHBondContact CE1-OE1 3.23Å; Y91-E95 WeakPolarHBondContact CE1-OE2 3.49Å; Y91-E95 VanDerWaalsContact O-CB 3.27Å; Y91-E95 WeakPolarHBondContact O-CB 3.15Å; Y91-E95 PolarHBondContact O-N 3Å; Y91-E95 PolarHBondContact OH-OE1 2.98Å; E93-E95 VanDerWaalsContact C-N 3.33Å; E95-F97 PolarHBondContact O-N 3.14Å; E95-R98 WeakPolarHBondContact O-CB 3.39Å; E95-R98 PolarHBondContact O-N 3.16Å; E95-Y99 HydrophobicContact CG-CD2 3.61Å; E95-Y99 HydrophobicContact CG-CE2 3.5Å; E95-Y99 VanDerWaalsContact O-CD2 3.27Å; E95-Y99 WeakPolarHBondContact O-CD2 3.48Å; E95-Y99 PolarHBondContact O-N 2.93Å
96T98.2Very high98Very high74 Ų7456.5 Ų56.545%0.45426%0.262SS..Hα-helixtrans-60.8-44.2175-60.30000111.4Q92 E93 R98 Y99 R100Q92-T96 VanDerWaalsContact O-CB 3.31Å; Q92-T96 WeakPolarHBondContact O-CB 3.27Å; Q92-T96 PolarHBondContact O-N 3.46Å; Q92-T96 PolarHBondContact O-OG1 3.24Å; E93-T96 PolarHBondContact O-N 3.35Å; T96-R98 VanDerWaalsContact C-N 3.34Å; T96-R98 PolarHBondContact O-N 3.29Å; T96-Y99 PolarHBondContact O-N 3.39Å; T96-R100 HydrophobicContact CG2-CG 4.14Å; T96-R100 WeakPolarHBondContact O-CB 3.42Å; T96-R100 VanDerWaalsContact O-CG 3.31Å; T96-R100 WeakPolarHBondContact O-CG 3.28Å; T96-R100 PolarHBondContact O-N 3.49Å
97F98.4Very high98Very high15 Ų1560 Ų607%0.06628%0.28CS..Hα-helixtrans-59.6-41.8175.5178.4-97.8000112.4I19 E93 I94 E95 A101 I102 L172 R176 L179I19-F97 HydrophobicContact CG2-CE1 4.22Å; E93-F97 VanDerWaalsContact O-CB 3.3Å; E93-F97 WeakPolarHBondContact O-CB 3.38Å; E93-F97 PolarHBondContact O-N 3.36Å; I94-F97 PolarHBondContact O-N 3.43Å; E95-F97 PolarHBondContact O-N 3.14Å; F97-A101 HydrophobicContact CD2-CB 3.9Å; F97-A101 HydrophobicContact CE2-CB 3.87Å; F97-A101 HydrophobicContact CZ-CB 4.48Å; F97-A101 WeakPolarHBondContact O-CB 3.48Å; F97-A101 PolarHBondContact O-N 3.33Å; F97-I102 HydrophobicContact CD1-CD1 3.96Å; F97-I102 HydrophobicContact CD1-CG1 3.97Å; F97-I102 HydrophobicContact CE1-CD1 3.77Å; F97-I102 HydrophobicContact CE1-CG1 3.69Å; F97-I102 HydrophobicContact CZ-CG1 4.41Å; F97-I102 PolarHBondContact O-N 3.3Å; F97-I102 VanDerWaalsContact O-N 3.15Å; F97-L172 HydrophobicContact CE1-CD1 4.14Å; F97-L172 HydrophobicContact CE2-CD1 3.85Å; F97-L172 HydrophobicContact CZ-CD1 3.4Å; F97-L172 VanDerWaalsContact CZ-CD1 3.4Å; F97-L172 HydrophobicContact CZ-CG 3.92Å; F97-R176 HydrophobicContact CE1-CB 4.08Å; F97-R176 HydrophobicContact CE1-CG 4.03Å; F97-R176 HydrophobicContact CE2-CB 4.29Å; F97-R176 HydrophobicContact CZ-CB 3.65Å; F97-R176 HydrophobicContact CZ-CG 4.12Å; F97-L179 HydrophobicContact CB-CD2 3.6Å; F97-L179 HydrophobicContact CD2-CD2 3.99Å; F97-L179 HydrophobicContact CG-CD2 3.83Å
98R97.9Very high98Very high43 Ų4360.3 Ų60.316%0.16228%0.282CS..Iπ-helixtrans-62.7-54.1174.3-73.9174.864.6-102.5-13.9111.8C23 M24 I94 E95 T96 R100 I102 S103C23-R98 HydrophobicContact CB-CG 3.8Å; M24-R98 PolarHBondContact SD-NH2 3.42Å; I94-R98 WeakPolarHBondContact O-CB 3.36Å; I94-R98 VanDerWaalsContact O-CG 3.28Å; I94-R98 WeakPolarHBondContact O-CG 3.5Å; I94-R98 PolarHBondContact O-N 3.34Å; E95-R98 WeakPolarHBondContact O-CB 3.39Å; E95-R98 PolarHBondContact O-N 3.16Å; T96-R98 VanDerWaalsContact C-N 3.34Å; T96-R98 PolarHBondContact O-N 3.29Å; R98-R100 VanDerWaalsContact C-N 3.3Å; R98-R100 PolarHBondContact O-N 3.03Å; R98-I102 HydrophobicContact CB-CD1 4.38Å; R98-I102 HydrophobicContact CG-CD1 3.84Å; R98-S103 PolarHBondContact O-N 3.47Å; R98-S103 PolarHBondContact O-OG 3.36Å
99Y97.9Very high98Very high143 Ų14358 Ų5856%0.56127%0.266SS*.Iπ-helixtrans-70.5-21.7-175.5-75.3-62.3000114.4E95 T96 S103E95-Y99 HydrophobicContact CG-CD2 3.61Å; E95-Y99 HydrophobicContact CG-CE2 3.5Å; E95-Y99 VanDerWaalsContact O-CD2 3.27Å; E95-Y99 WeakPolarHBondContact O-CD2 3.48Å; E95-Y99 PolarHBondContact O-N 2.93Å; T96-Y99 PolarHBondContact O-N 3.39Å; Y99-S103 WeakPolarHBondContact O-CB 3.41Å; Y99-S103 PolarHBondContact O-OG 2.85Å
100R98.2Very high97.9Very high192 Ų19255.5 Ų55.573%0.72526%0.261SS*.Iπ-helixtrans-101.4-71.3177.8-56.4-61.5-176.7163.90.5112.1T96 R98 D104T96-R100 HydrophobicContact CG2-CG 4.14Å; T96-R100 WeakPolarHBondContact O-CB 3.42Å; T96-R100 VanDerWaalsContact O-CG 3.31Å; T96-R100 WeakPolarHBondContact O-CG 3.28Å; T96-R100 PolarHBondContact O-N 3.49Å; R98-R100 VanDerWaalsContact C-N 3.3Å; R98-R100 PolarHBondContact O-N 3.03Å; R100-D104 PolarHBondContact O-N 2.89Å
101A98.2Very high97.9Very high29 Ų2962.6 Ų62.624%0.2429%0.287CS..Iπ-helixtrans-74.4-43-167.300000113.2F97 T105 L172F97-A101 HydrophobicContact CD2-CB 3.9Å; F97-A101 HydrophobicContact CE2-CB 3.87Å; F97-A101 HydrophobicContact CZ-CB 4.48Å; F97-A101 WeakPolarHBondContact O-CB 3.48Å; F97-A101 PolarHBondContact O-N 3.33Å; A101-T105 WeakPolarHBondContact O-CB 3.34Å; A101-T105 PolarHBondContact O-N 3.08Å; A101-T105 VanDerWaalsContact O-N 3.15Å; A101-T105 PolarHBondContact O-OG1 3.19Å; A101-L172 HydrophobicContact CB-CD1 3.58Å
102I98.3Very high97.8Very high8 Ų859.7 Ų59.74%0.04128%0.276CS..Iπ-helixtrans-68.1-40.3177-51.5-173.8000110.1F16 I19 Q20 C23 F97 R98 T105 W106 L172F16-I102 HydrophobicContact CE2-CG2 3.8Å; F16-I102 HydrophobicContact CZ-CG2 4.05Å; I19-I102 HydrophobicContact CG2-CD1 4.02Å; I19-I102 HydrophobicContact CG2-CG1 4.43Å; Q20-I102 HydrophobicContact CB-CG2 3.99Å; Q20-I102 HydrophobicContact CG-CG2 4.04Å; C23-I102 HydrophobicContact CB-CD1 4.06Å; F97-I102 HydrophobicContact CD1-CD1 3.96Å; F97-I102 HydrophobicContact CD1-CG1 3.97Å; F97-I102 HydrophobicContact CE1-CD1 3.77Å; F97-I102 HydrophobicContact CE1-CG1 3.69Å; F97-I102 HydrophobicContact CZ-CG1 4.41Å; F97-I102 PolarHBondContact O-N 3.3Å; F97-I102 VanDerWaalsContact O-N 3.15Å; R98-I102 HydrophobicContact CB-CD1 4.38Å; R98-I102 HydrophobicContact CG-CD1 3.84Å; I102-T105 PolarHBondContact O-N 3.48Å; I102-W106 WeakPolarHBondContact O-CB 3.41Å; I102-W106 PolarHBondContact O-N 3.15Å; I102-L172 HydrophobicContact CG1-CD1 4.11Å; I102-L172 HydrophobicContact CG1-CD2 4.33Å
103S98.3Very high97.6Very high50 Ų5057 Ų5735%0.3526%0.264SS..Hα-helixtrans-62.9-43.6177.2-67.60000114.2R98 Y99 W106 L107R98-S103 PolarHBondContact O-N 3.47Å; R98-S103 PolarHBondContact O-OG 3.36Å; Y99-S103 WeakPolarHBondContact O-CB 3.41Å; Y99-S103 PolarHBondContact O-OG 2.85Å; S103-W106 WeakPolarHBondContact O-CB 3.23Å; S103-W106 PolarHBondContact O-N 2.93Å; S103-L107 WeakPolarHBondContact O-CG 3.4Å; S103-L107 PolarHBondContact O-N 2.83Å
104D98.4Very high97.5Very high77 Ų7760.6 Ų60.641%0.41228%0.28SS..Hα-helixtrans-64.3-40.5174.2166.670.1000112.2R100 W106 L107 T108 K168R100-D104 PolarHBondContact O-N 2.89Å; D104-W106 VanDerWaalsContact C-N 3.35Å; D104-L107 PolarHBondContact O-N 2.79Å; D104-T108 PolarHBondContact O-N 3.41Å; D104-T108 PolarHBondContact O-OG1 3.06Å; D104-K168 IonicContact OD1-NZ 2.64Å; D104-K168 PolarHBondContact OD1-NZ 3.35Å; D104-K168 WeakPolarHBondContact OD2-CE 3.18Å; D104-K168 IonicContact OD2-NZ 3.82Å; D104-K168 PolarHBondContact OD2-NZ 3.47Å
105T98.1Very high97.5Very high5 Ų560.7 Ų60.73%0.03128%0.281CS..Hα-helixtrans-63.5-43175.1-53.60000110.6F16 A101 I102 L107 T108 V109 K168 V169 L172F16-T105 HydrophobicContact CD2-CG2 3.57Å; F16-T105 HydrophobicContact CE2-CG2 3.67Å; A101-T105 WeakPolarHBondContact O-CB 3.34Å; A101-T105 PolarHBondContact O-N 3.08Å; A101-T105 VanDerWaalsContact O-N 3.15Å; A101-T105 PolarHBondContact O-OG1 3.19Å; I102-T105 PolarHBondContact O-N 3.48Å; T105-L107 PolarHBondContact O-N 2.9Å; T105-T108 WeakPolarHBondContact O-CA 3.46Å; T105-T108 WeakPolarHBondContact O-CB 3.43Å; T105-T108 PolarHBondContact O-N 3.41Å; T105-T108 VanDerWaalsContact O-N 3.08Å; T105-V109 HydrophobicContact CG2-CG2 4.49Å; T105-V109 WeakPolarHBondContact O-CG2 3.45Å; T105-V109 PolarHBondContact O-N 3.26Å; T105-K168 HydrophobicContact CG2-CB 4.14Å; T105-V169 HydrophobicContact CG2-CG2 3.96Å; T105-L172 HydrophobicContact CG2-CD2 4.12Å
106W97.5Very high97.4Very high113 Ų11362 Ų6243%0.42828%0.284SS..Hα-helixtrans-58.3-46.2176.2-175.679000112.7F16 I102 S103 D104 T108 V109 N110F16-W106 HydrophobicContact CZ-CB 3.8Å; F16-W106 HydrophobicContact CZ-CG 4.36Å; I102-W106 WeakPolarHBondContact O-CB 3.41Å; I102-W106 PolarHBondContact O-N 3.15Å; S103-W106 WeakPolarHBondContact O-CB 3.23Å; S103-W106 PolarHBondContact O-N 2.93Å; D104-W106 VanDerWaalsContact C-N 3.35Å; W106-T108 PolarHBondContact O-N 2.68Å; W106-V109 PolarHBondContact O-N 2.89Å; W106-N110 WeakPolarHBondContact CH2-ND2 3.27Å; W106-N110 WeakPolarHBondContact CZ2-ND2 3.31Å; W106-N110 WeakPolarHBondContact CZ3-ND2 3.34Å; W106-N110 PolarHBondContact O-N 3.07Å
107L98Very high97.3Very high85 Ų8562.8 Ų62.845%0.44529%0.288SS..Hα-helixtrans-59.4-34.3175.4-71.1171.8000112S103 D104 T105 R111S103-L107 WeakPolarHBondContact O-CG 3.4Å; S103-L107 PolarHBondContact O-N 2.83Å; D104-L107 PolarHBondContact O-N 2.79Å; T105-L107 PolarHBondContact O-N 2.9Å; L107-R111 VanDerWaalsContact O-CG 3.31Å; L107-R111 WeakPolarHBondContact O-CG 3.17Å; L107-R111 PolarHBondContact O-N 3.31Å
108T97.6Very high97.1Very high10 Ų1066.3 Ų66.36%0.06131%0.305CS..Hα-helixtrans-74.2-42.1178.2-46.60000111.4D104 T105 W106 N110 R111 M112 D164 V165 K168D104-T108 PolarHBondContact O-N 3.41Å; D104-T108 PolarHBondContact O-OG1 3.06Å; T105-T108 WeakPolarHBondContact O-CA 3.46Å; T105-T108 WeakPolarHBondContact O-CB 3.43Å; T105-T108 PolarHBondContact O-N 3.41Å; T105-T108 VanDerWaalsContact O-N 3.08Å; W106-T108 PolarHBondContact O-N 2.68Å; T108-N110 PolarHBondContact O-N 3.37Å; T108-R111 PolarHBondContact O-N 3.06Å; T108-M112 PolarHBondContact O-N 3.37Å; T108-M112 VanDerWaalsContact O-N 3.08Å; T108-D164 HydrophobicContact CG2-CB 4.33Å; T108-V165 HydrophobicContact CG2-CG2 4.09Å; T108-K168 HydrophobicContact CG2-CD 4.08Å; T108-K168 WeakPolarHBondContact OG1-CD 3.47Å; T108-K168 PolarHBondContact OG1-NZ 2.93Å
109V96.2Very high97.1Very high4 Ų466.3 Ų66.32%0.02431%0.305CS..Hα-helixtrans-60.2-43.1173172.40000111.4F16 T105 W106 M112 E113 V165F16-V109 HydrophobicContact CD1-CG2 4.29Å; F16-V109 HydrophobicContact CG-CG2 4.43Å; T105-V109 HydrophobicContact CG2-CG2 4.49Å; T105-V109 WeakPolarHBondContact O-CG2 3.45Å; T105-V109 PolarHBondContact O-N 3.26Å; W106-V109 PolarHBondContact O-N 2.89Å; V109-M112 HydrophobicContact CG1-CE 4.28Å; V109-M112 WeakPolarHBondContact O-CB 3.47Å; V109-M112 PolarHBondContact O-N 2.96Å; V109-E113 PolarHBondContact O-N 3.08Å; V109-V165 HydrophobicContact CG2-CG1 3.95Å; V109-V165 HydrophobicContact CG2-CG2 4.06Å
110N96.1Very high97Very high65 Ų6563.6 Ų63.635%0.34829%0.294SS..Hα-helixtrans-64.3-44178.4-73.2-4.6000112.5W106 T108 M112 E113 Q114W106-N110 WeakPolarHBondContact CH2-ND2 3.27Å; W106-N110 WeakPolarHBondContact CZ2-ND2 3.31Å; W106-N110 WeakPolarHBondContact CZ3-ND2 3.34Å; W106-N110 PolarHBondContact O-N 3.07Å; T108-N110 PolarHBondContact O-N 3.37Å; N110-M112 VanDerWaalsContact C-N 3.25Å; N110-M112 PolarHBondContact O-N 3.48Å; N110-E113 PolarHBondContact O-N 2.94Å; N110-Q114 PolarHBondContact O-N 3.33Å
111R97.8Very high96.9Very high155 Ų15556.3 Ų56.359%0.58528%0.279SS*.Hα-helixtrans-59.2-38.6174.6-72.6169.4-178.7175.81.4111.8L107 T108 S115 L161L107-R111 VanDerWaalsContact O-CG 3.31Å; L107-R111 WeakPolarHBondContact O-CG 3.17Å; L107-R111 PolarHBondContact O-N 3.31Å; T108-R111 PolarHBondContact O-N 3.06Å; R111-S115 WeakPolarHBondContact O-CB 3.31Å; R111-S115 PolarHBondContact O-N 3.34Å; R111-L161 HydrophobicContact CB-CD2 4.26Å
112M96.5Very high96.8Very high0 Ų055.3 Ų55.30%027%0.27CS..Hα-helixtrans-66.5-45.6175.8179.2-74.8-52.200112.2F9 T108 V109 N110 Q114 S115 R116 F158 L161 K162 V165F9-M112 HydrophobicContact CE1-CE 3.74Å; F9-M112 HydrophobicContact CE1-SD 3.65Å; F9-M112 HydrophobicContact CZ-CE 3.48Å; F9-M112 VanDerWaalsContact CZ-CE 3.48Å; F9-M112 HydrophobicContact CZ-CG 4.12Å; F9-M112 HydrophobicContact CZ-SD 3.45Å; F9-M112 WeakPolarHBondContact CZ-SD 3.49Å; T108-M112 PolarHBondContact O-N 3.37Å; T108-M112 VanDerWaalsContact O-N 3.08Å; V109-M112 HydrophobicContact CG1-CE 4.28Å; V109-M112 WeakPolarHBondContact O-CB 3.47Å; V109-M112 PolarHBondContact O-N 2.96Å; N110-M112 VanDerWaalsContact C-N 3.25Å; N110-M112 PolarHBondContact O-N 3.48Å; M112-Q114 VanDerWaalsContact C-N 3.34Å; M112-Q114 PolarHBondContact O-N 3.18Å; M112-S115 PolarHBondContact O-N 3.46Å; M112-R116 VanDerWaalsContact O-CB 3.28Å; M112-R116 WeakPolarHBondContact O-CB 3.33Å; M112-R116 PolarHBondContact O-N 3.38Å; M112-F158 HydrophobicContact CG-CE2 4.41Å; M112-F158 HydrophobicContact SD-CD2 4.48Å; M112-F158 HydrophobicContact SD-CE2 3.89Å; M112-L161 HydrophobicContact CB-CB 3.95Å; M112-L161 HydrophobicContact CG-CB 4.21Å; M112-K162 HydrophobicContact CG-CB 4.49Å; M112-V165 HydrophobicContact CB-CG2 3.68Å; M112-V165 HydrophobicContact CE-CG2 4.49Å; M112-V165 HydrophobicContact CG-CG2 3.98Å
113E94.5Very high96.7Very high30 Ų3056.1 Ų56.114%0.1428%0.275CS..Hα-helixtrans-66.2-34.2175.9-70.9-60.9163.600112.5R13 V109 N110 R116 T117R13-E113 IonicContact CZ-OE1 3.71Å; R13-E113 IonicContact NE-OE1 2.72Å; R13-E113 IonicContact NH1-OE1 3.68Å; R13-E113 PolarHBondContact NH1-OE1 2.96Å; R13-E113 IonicContact NH1-OE2 3.35Å; V109-E113 PolarHBondContact O-N 3.08Å; N110-E113 PolarHBondContact O-N 2.94Å; E113-R116 WeakPolarHBondContact OE2-CD 3.31Å; E113-R116 IonicContact OE2-CZ 3.57Å; E113-R116 IonicContact OE2-NE 3.83Å; E113-R116 IonicContact OE2-NH1 2.63Å; E113-R116 PolarHBondContact OE2-NH1 2.94Å; E113-T117 PolarHBondContact O-N 3.3Å; E113-T117 PolarHBondContact O-OG1 2.92Å
114Q95.9Very high96.5Very high117 Ų11758.7 Ų58.755%0.54728%0.284SS..Hα-helixtrans-62.1-53.2171.1-176.8-174.7-2700110.7N110 M112 R116 T117 E118N110-Q114 PolarHBondContact O-N 3.33Å; M112-Q114 VanDerWaalsContact C-N 3.34Å; M112-Q114 PolarHBondContact O-N 3.18Å; Q114-R116 VanDerWaalsContact C-N 3.28Å; Q114-R116 PolarHBondContact O-N 3.31Å; Q114-T117 WeakPolarHBondContact O-CA 3.3Å; Q114-T117 WeakPolarHBondContact O-CB 3.3Å; Q114-T117 PolarHBondContact O-N 3.37Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.45Å; Q114-E118 PolarHBondContact NE2-OE1 2.67Å; Q114-E118 WeakPolarHBondContact O-CG 3.3Å; Q114-E118 PolarHBondContact O-N 3.48Å
115S97.1Very high96.3Very high3 Ų360.9 Ų60.92%0.02129%0.286CS..Hα-helixtrans-64.6-31.8-179.4-164.50000112.7R111 M112 T117 E118 Y119 S157 F158R111-S115 WeakPolarHBondContact O-CB 3.31Å; R111-S115 PolarHBondContact O-N 3.34Å; M112-S115 PolarHBondContact O-N 3.46Å; S115-T117 VanDerWaalsContact C-N 3.3Å; S115-T117 PolarHBondContact O-N 3.06Å; S115-E118 PolarHBondContact O-N 2.86Å; S115-Y119 WeakPolarHBondContact O-CB 3.36Å; S115-Y119 PolarHBondContact O-N 3.4Å; S115-S157 PolarHBondContact OG-OG 3.28Å; S115-F158 PolarHBondContact OG-N 2.95Å
116R95.5Very high96.1Very high85 Ų8561.8 Ų61.832%0.32129%0.29SS..Hα-helixtrans-60.2-39.4168.9-178.9177.1161-99.9-12112M112 E113 Q114 R120 F158M112-R116 VanDerWaalsContact O-CB 3.28Å; M112-R116 WeakPolarHBondContact O-CB 3.33Å; M112-R116 PolarHBondContact O-N 3.38Å; E113-R116 WeakPolarHBondContact OE2-CD 3.31Å; E113-R116 IonicContact OE2-CZ 3.57Å; E113-R116 IonicContact OE2-NE 3.83Å; E113-R116 IonicContact OE2-NH1 2.63Å; E113-R116 PolarHBondContact OE2-NH1 2.94Å; Q114-R116 VanDerWaalsContact C-N 3.28Å; Q114-R116 PolarHBondContact O-N 3.31Å; R116-R120 WeakPolarHBondContact O-CG 3.35Å; R116-R120 PolarHBondContact O-N 3.35Å; R116-R120 VanDerWaalsContact O-N 3.07Å; R116-F158 HydrophobicContact CB-CD2 3.62Å; R116-F158 HydrophobicContact CB-CE2 3.55Å; R116-F158 HydrophobicContact CB-CZ 4.38Å; R116-F158 HydrophobicContact CG-CD2 4.27Å; R116-F158 HydrophobicContact CG-CE2 3.81Å; R116-F158 HydrophobicContact CG-CZ 4.18Å
117T96.1Very high95.9Very high90 Ų9060.1 Ų60.155%0.55229%0.286SS*.Hα-helixtrans-72.4-43.6178.6-55.20000111E113 Q114 S115 Y119 R120 G121E113-T117 PolarHBondContact O-N 3.3Å; E113-T117 PolarHBondContact O-OG1 2.92Å; Q114-T117 WeakPolarHBondContact O-CA 3.3Å; Q114-T117 WeakPolarHBondContact O-CB 3.3Å; Q114-T117 PolarHBondContact O-N 3.37Å; S115-T117 VanDerWaalsContact C-N 3.3Å; S115-T117 PolarHBondContact O-N 3.06Å; T117-Y119 VanDerWaalsContact C-N 3.34Å; T117-Y119 PolarHBondContact O-N 2.92Å; T117-R120 PolarHBondContact O-N 3.25Å; T117-G121 PolarHBondContact O-N 2.99Å
118E96.1Very high95.5Very high88 Ų8859.7 Ų59.741%0.41128%0.284SS..Hα-helixtrans-58.9-42.8173.3-67.9165.7-177.700112.1Q114 S115 G121 A122Q114-E118 WeakPolarHBondContact CG-OE1 3.45Å; Q114-E118 PolarHBondContact NE2-OE1 2.67Å; Q114-E118 WeakPolarHBondContact O-CG 3.3Å; Q114-E118 PolarHBondContact O-N 3.48Å; S115-E118 PolarHBondContact O-N 2.86Å; E118-G121 PolarHBondContact O-N 2.9Å; E118-A122 PolarHBondContact O-N 3.34Å
119Y97.6Very high95.1Very high44 Ų4459.4 Ų59.417%0.17328%0.283CS..Hα-helixtrans-65.1-41.1175174.4-127.1000112.5S115 T117 A122 L123 V151 K155 F158S115-Y119 WeakPolarHBondContact O-CB 3.36Å; S115-Y119 PolarHBondContact O-N 3.4Å; T117-Y119 VanDerWaalsContact C-N 3.34Å; T117-Y119 PolarHBondContact O-N 2.92Å; Y119-A122 PolarHBondContact O-N 2.92Å; Y119-L123 HydrophobicContact CD1-CD1 4.39Å; Y119-L123 HydrophobicContact CD2-CD1 4.4Å; Y119-L123 HydrophobicContact CD2-CG 4.22Å; Y119-L123 HydrophobicContact CE1-CD1 3.89Å; Y119-L123 HydrophobicContact CE2-CD1 3.88Å; Y119-L123 HydrophobicContact CE2-CD2 4.04Å; Y119-L123 HydrophobicContact CE2-CG 3.79Å; Y119-L123 WeakPolarHBondContact O-CG 3.49Å; Y119-L123 PolarHBondContact O-N 3.15Å; Y119-V151 HydrophobicContact CE2-CG1 4.14Å; Y119-K155 HydrophobicContact CD2-CB 3.8Å; Y119-K155 HydrophobicContact CD2-CG 4.45Å; Y119-K155 HydrophobicContact CE1-CG 4.37Å; Y119-K155 HydrophobicContact CE2-CB 3.46Å; Y119-K155 VanDerWaalsContact CE2-CB 3.46Å; Y119-K155 HydrophobicContact CE2-CD 4.25Å; Y119-K155 HydrophobicContact CE2-CG 3.84Å; Y119-F158 AromaticContact CD1-CD1 3.91Å; Y119-F158 HydrophobicContact CD1-CD1 3.91Å; Y119-F158 HydrophobicContact CD1-CE1 4.5Å; Y119-F158 HydrophobicContact CD1-CG 4.49Å; Y119-F158 HydrophobicContact CE1-CD1 4.35Å
120R95.6Very high94.7Very high86 Ų8661 Ų6133%0.32529%0.294SS..Hα-helixtrans-61.7-42.4172.2-76.2177.875.797.1-9.3111.8R116 T117 L123 L124 L375 D376R116-R120 WeakPolarHBondContact O-CG 3.35Å; R116-R120 PolarHBondContact O-N 3.35Å; R116-R120 VanDerWaalsContact O-N 3.07Å; T117-R120 PolarHBondContact O-N 3.25Å; R120-L123 PolarHBondContact O-N 2.94Å; R120-L124 WeakPolarHBondContact O-CG 3.14Å; R120-L124 PolarHBondContact O-N 2.89Å; R120-L375 PolarHBondContact NH1-O 2.85Å; R120-D376 IonicContact NH2-OD2 2.68Å
121G96.4Very high94.3Very high39 Ų3963.4 Ų63.440%0.40230%0.303SS..Hα-helixtrans-61.2-44.2175.200000112.7T117 E118 L123 L124 W125T117-G121 PolarHBondContact O-N 2.99Å; E118-G121 PolarHBondContact O-N 2.9Å; G121-L123 VanDerWaalsContact C-N 3.35Å; G121-L123 PolarHBondContact O-N 3.19Å; G121-L124 PolarHBondContact O-N 3.43Å; G121-W125 WeakPolarHBondContact O-CB 3.37Å; G121-W125 PolarHBondContact O-N 3.46Å
122A96.1Very high93.5Very high7 Ų761.7 Ų61.76%0.05830%0.302CS..Hα-helixtrans-64.2-36.8175.800000112.8E118 Y119 M126 Q150 V151 T154E118-A122 PolarHBondContact O-N 3.34Å; Y119-A122 PolarHBondContact O-N 2.92Å; A122-M126 WeakPolarHBondContact O-CB 3.42Å; A122-M126 PolarHBondContact O-N 2.84Å; A122-Q150 HydrophobicContact CB-CG 4.5Å; A122-V151 HydrophobicContact CB-CG2 3.86Å; A122-V151 VanDerWaalsContact O-CG2 3.24Å; A122-V151 WeakPolarHBondContact O-CG2 3.16Å; A122-T154 HydrophobicContact CB-CG2 4.35Å
123L94.8Very high92.6Very high26 Ų2663.9 Ų63.914%0.13631%0.313CS..Hα-helixtrans-66.4-42.6174.5-76.1175.7000112.7Y119 R120 G121 M126 K127 V151 F372Y119-L123 HydrophobicContact CD1-CD1 4.39Å; Y119-L123 HydrophobicContact CD2-CD1 4.4Å; Y119-L123 HydrophobicContact CD2-CG 4.22Å; Y119-L123 HydrophobicContact CE1-CD1 3.89Å; Y119-L123 HydrophobicContact CE2-CD1 3.88Å; Y119-L123 HydrophobicContact CE2-CD2 4.04Å; Y119-L123 HydrophobicContact CE2-CG 3.79Å; Y119-L123 WeakPolarHBondContact O-CG 3.49Å; Y119-L123 PolarHBondContact O-N 3.15Å; R120-L123 PolarHBondContact O-N 2.94Å; G121-L123 VanDerWaalsContact C-N 3.35Å; G121-L123 PolarHBondContact O-N 3.19Å; L123-M126 HydrophobicContact CD2-CE 4Å; L123-M126 PolarHBondContact O-N 2.85Å; L123-K127 PolarHBondContact O-N 2.7Å; L123-V151 HydrophobicContact CD2-CG1 3.76Å; L123-F372 HydrophobicContact CD2-CE1 4.35Å
124L94.8Very high91.8Very high103 Ų10365.4 Ų65.454%0.53932%0.322SS..Hα-helixtrans-61.3-49.1174.5-71.3169.3000110.4R120 G121 M126 K127 D128R120-L124 WeakPolarHBondContact O-CG 3.14Å; R120-L124 PolarHBondContact O-N 2.89Å; G121-L124 PolarHBondContact O-N 3.43Å; L124-M126 PolarHBondContact O-N 2.95Å; L124-K127 WeakPolarHBondContact O-CA 3.35Å; L124-K127 VanDerWaalsContact O-CB 3.28Å; L124-K127 WeakPolarHBondContact O-CB 3.26Å; L124-K127 PolarHBondContact O-N 2.97Å; L124-D128 PolarHBondContact O-N 3.23Å
125W94.5Very high90.8Very high124 Ų12464 Ų6447%0.4732%0.323SS..Hα-helixtrans-58.4-35.1175.9-171.935000112.9G121 V129 V147G121-W125 WeakPolarHBondContact O-CB 3.37Å; G121-W125 PolarHBondContact O-N 3.46Å; W125-V129 WeakPolarHBondContact O-CB 3.47Å; W125-V129 VanDerWaalsContact O-CG2 3.24Å; W125-V129 WeakPolarHBondContact O-CG2 3.43Å; W125-V129 PolarHBondContact O-N 3.35Å; W125-V129 VanDerWaalsContact O-N 3.1Å; W125-V147 HydrophobicContact CB-CG1 4.35Å; W125-V147 HydrophobicContact CD2-CB 4.43Å; W125-V147 HydrophobicContact CD2-CG1 3.86Å; W125-V147 HydrophobicContact CD2-CG2 3.69Å; W125-V147 HydrophobicContact CE3-CB 4.28Å; W125-V147 HydrophobicContact CE3-CG1 3.74Å; W125-V147 HydrophobicContact CE3-CG2 3.82Å; W125-V147 HydrophobicContact CG-CG1 4.13Å; W125-V147 HydrophobicContact CG-CG2 4.39Å; W125-V147 HydrophobicContact CH2-CG2 3.82Å; W125-V147 HydrophobicContact CZ2-CG2 3.68Å; W125-V147 HydrophobicContact CZ3-CB 4.48Å; W125-V147 HydrophobicContact CZ3-CG1 4.38Å; W125-V147 HydrophobicContact CZ3-CG2 3.88Å
126M93.8Very high89.8Confident23 Ų2371 Ų7111%0.11336%0.36CS..Hα-helixtrans-68.9-34.1173.7-167.4-179.566.300112.8A122 L123 L124 S130 F144 V147 Q148 V151A122-M126 WeakPolarHBondContact O-CB 3.42Å; A122-M126 PolarHBondContact O-N 2.84Å; L123-M126 HydrophobicContact CD2-CE 4Å; L123-M126 PolarHBondContact O-N 2.85Å; L124-M126 PolarHBondContact O-N 2.95Å; M126-S130 WeakPolarHBondContact O-CB 3.4Å; M126-S130 PolarHBondContact O-N 3.07Å; M126-S130 VanDerWaalsContact O-N 3.12Å; M126-F144 HydrophobicContact CG-CE2 4.06Å; M126-V147 HydrophobicContact CB-CG1 3.74Å; M126-V147 HydrophobicContact CG-CG1 4.26Å; M126-Q148 HydrophobicContact SD-CG 4.33Å; M126-V151 HydrophobicContact CB-CG2 3.91Å; M126-V151 HydrophobicContact CE-CG1 4.4Å; M126-V151 HydrophobicContact CG-CG2 4.38Å; M126-V151 HydrophobicContact SD-CB 4.23Å; M126-V151 HydrophobicContact SD-CG1 4.21Å; M126-V151 HydrophobicContact SD-CG2 3.89Å
127K92.2Very high89.2Confident79 Ų7969.6 Ų69.634%0.34336%0.362SS..Hα-helixtrans-64.7-52.3173.6-178.8-165171.8-1660110.5L123 L124 V129 S130 Q131 W368L123-K127 PolarHBondContact O-N 2.7Å; L124-K127 WeakPolarHBondContact O-CA 3.35Å; L124-K127 VanDerWaalsContact O-CB 3.28Å; L124-K127 WeakPolarHBondContact O-CB 3.26Å; L124-K127 PolarHBondContact O-N 2.97Å; K127-V129 PolarHBondContact O-N 2.97Å; K127-S130 CarbonylContact O-C 3.6Å; K127-S130 WeakPolarHBondContact O-CA 3.36Å; K127-S130 WeakPolarHBondContact O-CB 3.34Å; K127-S130 PolarHBondContact O-N 3.33Å; K127-Q131 PolarHBondContact O-N 2.88Å; K127-Q131 VanDerWaalsContact O-N 3.08Å; K127-W368 HydrophobicContact CG-CZ3 4.41Å
128D91.2Very high88.4Confident75 Ų7571.8 Ų71.840%0.40137%0.365SS..Hα-helixtrans-61.7-48.1-175.4-50.1-28.1000110.4L124 S130 Q131 E132L124-D128 PolarHBondContact O-N 3.23Å; D128-S130 PolarHBondContact O-N 2.93Å; D128-Q131 PolarHBondContact O-N 3.24Å; D128-E132 PolarHBondContact O-N 3.06Å
129V88.9Confident87.8Confident4 Ų476.1 Ų76.12%0.02438%0.383CS..Hα-helixtrans-67.7-18.7176.9179.10000112.9W125 K127 K143 F144 V147W125-V129 WeakPolarHBondContact O-CB 3.47Å; W125-V129 VanDerWaalsContact O-CG2 3.24Å; W125-V129 WeakPolarHBondContact O-CG2 3.43Å; W125-V129 PolarHBondContact O-N 3.35Å; W125-V129 VanDerWaalsContact O-N 3.1Å; K127-V129 PolarHBondContact O-N 2.97Å; V129-K143 HydrophobicContact CG1-CD 3.83Å; V129-K143 HydrophobicContact CG1-CG 3.93Å; V129-K143 HydrophobicContact CG2-CD 4.27Å; V129-K143 VanDerWaalsContact CG2-CE 3.47Å; V129-F144 HydrophobicContact CG1-CB 4.16Å; V129-F144 HydrophobicContact CG1-CD2 4.25Å; V129-V147 HydrophobicContact CG1-CG2 4.49Å; V129-V147 HydrophobicContact CG2-CG2 4.32Å
130S88.3Confident87.1Confident38 Ų3876.8 Ų76.827%0.26639%0.388SS..Hα-helixtrans-84.2-18.8171.6-168.30000113.6M126 K127 D128M126-S130 WeakPolarHBondContact O-CB 3.4Å; M126-S130 PolarHBondContact O-N 3.07Å; M126-S130 VanDerWaalsContact O-N 3.12Å; K127-S130 CarbonylContact O-C 3.6Å; K127-S130 WeakPolarHBondContact O-CA 3.36Å; K127-S130 WeakPolarHBondContact O-CB 3.34Å; K127-S130 PolarHBondContact O-N 3.33Å; D128-S130 PolarHBondContact O-N 2.93Å
131Q86.4Confident86.6Confident116 Ų11675.9 Ų75.954%0.54239%0.388SS..Hα-helixtrans-85.8-32.2176.1-70.8-178.1-31.300111.6K127 D128 L133K127-Q131 PolarHBondContact O-N 2.88Å; K127-Q131 VanDerWaalsContact O-N 3.08Å; D128-Q131 PolarHBondContact O-N 3.24Å; Q131-L133 VanDerWaalsContact C-N 3.25Å; Q131-L133 PolarHBondContact O-N 3.26Å
132E80.6Confident86.2Confident119 Ų11976.8 Ų76.856%0.55638%0.382SS*.SBendtrans-78.52.5174.5-61.3179.3153.400114.4D128 D134 Q140 K143D128-E132 PolarHBondContact O-N 3.06Å; E132-D134 PolarHBondContact O-N 3.15Å; E132-Q140 PolarHBondContact O-OE1 2.91Å; E132-K143 IonicContact OE2-NZ 2.78Å; E132-K143 PolarHBondContact OE2-NZ 2.94Å
133L79.3Confident85.8Confident46 Ų4680.4 Ų80.424%0.24140%0.396CS..  trans-85.599-159.1-164.871.9000114.3Q131 Q140 M141 F144Q131-L133 VanDerWaalsContact C-N 3.25Å; Q131-L133 PolarHBondContact O-N 3.26Å; L133-Q140 HydrophobicContact CD1-CB 4.07Å; L133-M141 HydrophobicContact CD2-CE 3.89Å; L133-M141 HydrophobicContact CD2-SD 4.33Å; L133-M141 HydrophobicContact CG-CE 4.22Å; L133-F144 HydrophobicContact CD1-CB 3.89Å; L133-F144 HydrophobicContact CD1-CG 4.35Å; L133-F144 HydrophobicContact CD2-CD1 4.44Å; L133-F144 HydrophobicContact CD2-CG 4.29Å
134D77.3Confident85.6Confident62 Ų6281 Ų8133%0.33240%0.398SS..  trans-78.2122.3161.9168.331.1000110.7E132 D136 T137E132-D134 PolarHBondContact O-N 3.15Å; D134-D136 VanDerWaalsContact C-N 3.34Å; D134-D136 PolarHBondContact O-N 2.99Å; D134-D136 PolarHBondContact OD1-N 3.15Å; D134-T137 WeakPolarHBondContact OD2-CB 3.27Å; D134-T137 PolarHBondContact OD2-N 3.44Å; D134-T137 PolarHBondContact OD2-OG1 3.05Å
135P75.1Confident85.5Confident87 Ų8782.4 Ų82.457%0.56540%0.396SS*.SBendtrans-62.4-32.7176.6-23.535.2000115.2M141P135-M141 HydrophobicContact CB-CE 4.12Å
136D75.8Confident85.4Confident149 Ų14982.8 Ų82.880%0.79740%0.4SS*.SBendtrans-82.6-25.5-173-67-28.2000111.6D134 H138D134-D136 VanDerWaalsContact C-N 3.34Å; D134-D136 PolarHBondContact O-N 2.99Å; D134-D136 PolarHBondContact OD1-N 3.15Å; D136-H138 PolarHBondContact O-N 3.48Å
137T82.6Confident85.5Confident57 Ų5781.7 Ų81.735%0.3540%0.395SS..  trans-74.286.8170.6-63.50000111.6D134 K139 Q140 M141D134-T137 WeakPolarHBondContact OD2-CB 3.27Å; D134-T137 PolarHBondContact OD2-N 3.44Å; D134-T137 PolarHBondContact OD2-OG1 3.05Å; T137-K139 HydrophobicContact CG2-CB 4.31Å; T137-K139 PolarHBondContact O-N 3.16Å; T137-Q140 HydrophobicContact CG2-CB 4.28Å; T137-Q140 HydrophobicContact CG2-CG 3.74Å; T137-Q140 WeakPolarHBondContact O-CB 3.43Å; T137-Q140 PolarHBondContact O-N 3.39Å; T137-M141 PolarHBondContact O-N 3.29Å
138H78.9Confident85.6Confident135 Ų13581 Ų8163%0.62539%0.393SS*.Hα-helixtrans-44.5-36.8177.2-175.682.8000114.7D136 Q140 M141 E142D136-H138 PolarHBondContact O-N 3.48Å; H138-Q140 VanDerWaalsContact C-N 3.33Å; H138-Q140 PolarHBondContact O-N 3.28Å; H138-M141 PolarHBondContact O-N 3.27Å; H138-E142 PolarHBondContact O-N 3.46Å
139K83.1Confident85.8Confident179 Ų17979.7 Ų79.778%0.77839%0.393SS*.Hα-helixtrans-63.2-33.1177.1-69.5-178.7179.5175.70113.5T137 K143T137-K139 HydrophobicContact CG2-CB 4.31Å; T137-K139 PolarHBondContact O-N 3.16Å; K139-K143 PolarHBondContact O-N 3.18Å
140Q82.4Confident86.1Confident59 Ų5983.8 Ų83.828%0.27641%0.411SS..Hα-helixtrans-77.2-38.9177.5-68.2-178.40.400111.5E132 L133 T137 H138 E142 K143 F144E132-Q140 PolarHBondContact O-OE1 2.91Å; L133-Q140 HydrophobicContact CD1-CB 4.07Å; T137-Q140 HydrophobicContact CG2-CB 4.28Å; T137-Q140 HydrophobicContact CG2-CG 3.74Å; T137-Q140 WeakPolarHBondContact O-CB 3.43Å; T137-Q140 PolarHBondContact O-N 3.39Å; H138-Q140 VanDerWaalsContact C-N 3.33Å; H138-Q140 PolarHBondContact O-N 3.28Å; Q140-E142 VanDerWaalsContact C-N 3.26Å; Q140-E142 PolarHBondContact O-N 3.36Å; Q140-K143 WeakPolarHBondContact O-CB 3.24Å; Q140-K143 PolarHBondContact O-N 2.87Å; Q140-K143 VanDerWaalsContact O-N 3.17Å; Q140-F144 WeakPolarHBondContact O-CB 3.38Å; Q140-F144 PolarHBondContact O-N 2.79Å
141M86.7Confident86.5Confident66 Ų6682.6 Ų82.633%0.32540%0.403SS..Hα-helixtrans-58.7-38.3169.5-79.6-71.4174.500112.1L133 P135 T137 H138 F144 R145L133-M141 HydrophobicContact CD2-CE 3.89Å; L133-M141 HydrophobicContact CD2-SD 4.33Å; L133-M141 HydrophobicContact CG-CE 4.22Å; P135-M141 HydrophobicContact CB-CE 4.12Å; T137-M141 PolarHBondContact O-N 3.29Å; H138-M141 PolarHBondContact O-N 3.27Å; M141-F144 PolarHBondContact O-N 3.17Å; M141-R145 WeakPolarHBondContact O-CB 3.44Å; M141-R145 PolarHBondContact O-N 2.89Å
142E87.3Confident87.1Confident59 Ų5984 Ų8428%0.27640%0.403SS..Hα-helixtrans-67.5-40.1174.1-16359.7-140.100112.6H138 Q140 R145 K146H138-E142 PolarHBondContact O-N 3.46Å; Q140-E142 VanDerWaalsContact C-N 3.26Å; Q140-E142 PolarHBondContact O-N 3.36Å; E142-R145 VanDerWaalsContact CD-NH1 3.32Å; E142-R145 IonicContact OE1-NH1 2.71Å; E142-R145 PolarHBondContact OE1-NH1 3.44Å; E142-R145 IonicContact OE2-CZ 3.09Å; E142-R145 IonicContact OE2-NH1 3.13Å; E142-R145 PolarHBondContact OE2-NH1 3.46Å; E142-R145 IonicContact OE2-NH2 2.73Å; E142-K146 WeakPolarHBondContact O-CG 3.32Å; E142-K146 PolarHBondContact O-N 3.43Å
143K88.6Confident87.9Confident82 Ų8282.6 Ų82.636%0.35740%0.403SS..Hα-helixtrans-58.1-52.6170.6-176.8-167.9177.4-165.90110V129 E132 K139 Q140 R145 K146 V147V129-K143 HydrophobicContact CG1-CD 3.83Å; V129-K143 HydrophobicContact CG1-CG 3.93Å; V129-K143 HydrophobicContact CG2-CD 4.27Å; V129-K143 VanDerWaalsContact CG2-CE 3.47Å; E132-K143 IonicContact OE2-NZ 2.78Å; E132-K143 PolarHBondContact OE2-NZ 2.94Å; K139-K143 PolarHBondContact O-N 3.18Å; Q140-K143 WeakPolarHBondContact O-CB 3.24Å; Q140-K143 PolarHBondContact O-N 2.87Å; Q140-K143 VanDerWaalsContact O-N 3.17Å; K143-R145 PolarHBondContact O-N 3.22Å; K143-K146 WeakPolarHBondContact O-CB 3.48Å; K143-K146 PolarHBondContact O-N 2.98Å; K143-K146 VanDerWaalsContact O-N 3.17Å; K143-V147 WeakPolarHBondContact O-CG2 3.33Å; K143-V147 PolarHBondContact O-N 2.87Å
144F90Very high88.7Confident40 Ų4080.9 Ų80.918%0.17539%0.394CS..Hα-helixtrans-60.3-43.4-179.1-177.2-105.3000112.7M126 V129 L133 Q140 M141 K146 V147 Q148M126-F144 HydrophobicContact CG-CE2 4.06Å; V129-F144 HydrophobicContact CG1-CB 4.16Å; V129-F144 HydrophobicContact CG1-CD2 4.25Å; L133-F144 HydrophobicContact CD1-CB 3.89Å; L133-F144 HydrophobicContact CD1-CG 4.35Å; L133-F144 HydrophobicContact CD2-CD1 4.44Å; L133-F144 HydrophobicContact CD2-CG 4.29Å; Q140-F144 WeakPolarHBondContact O-CB 3.38Å; Q140-F144 PolarHBondContact O-N 2.79Å; M141-F144 PolarHBondContact O-N 3.17Å; F144-K146 VanDerWaalsContact C-N 3.28Å; F144-K146 PolarHBondContact O-N 3.48Å; F144-V147 PolarHBondContact O-N 2.97Å; F144-Q148 WeakPolarHBondContact O-CB 3.49Å; F144-Q148 PolarHBondContact O-N 3.43Å
145R91.9Very high89.6Confident132 Ų13282.3 Ų82.350%0.49840%0.398SS..Hα-helixtrans-59.6-38.6176.5-162.6-173.3-58.2122.86.4112.1M141 E142 K143 A149M141-R145 WeakPolarHBondContact O-CB 3.44Å; M141-R145 PolarHBondContact O-N 2.89Å; E142-R145 VanDerWaalsContact CD-NH1 3.32Å; E142-R145 IonicContact OE1-NH1 2.71Å; E142-R145 PolarHBondContact OE1-NH1 3.44Å; E142-R145 IonicContact OE2-CZ 3.09Å; E142-R145 IonicContact OE2-NH1 3.13Å; E142-R145 PolarHBondContact OE2-NH1 3.46Å; E142-R145 IonicContact OE2-NH2 2.73Å; K143-R145 PolarHBondContact O-N 3.22Å; R145-A149 PolarHBondContact O-N 2.84Å
146K93.9Very high90.6Very high131 Ų13182.1 Ų82.157%0.5740%0.398SS*.Hα-helixtrans-68-43.8176-70.2170.2-177.1176.60112.2E142 K143 F144 Q148 A149 Q150E142-K146 WeakPolarHBondContact O-CG 3.32Å; E142-K146 PolarHBondContact O-N 3.43Å; K143-K146 WeakPolarHBondContact O-CB 3.48Å; K143-K146 PolarHBondContact O-N 2.98Å; K143-K146 VanDerWaalsContact O-N 3.17Å; F144-K146 VanDerWaalsContact C-N 3.28Å; F144-K146 PolarHBondContact O-N 3.48Å; K146-Q148 PolarHBondContact O-N 3.03Å; K146-A149 WeakPolarHBondContact O-CB 3.28Å; K146-A149 PolarHBondContact O-N 3.28Å; K146-Q150 PolarHBondContact O-N 3.44Å
147V94.6Very high91.6Very high1 Ų177.6 Ų77.61%0.00638%0.378CS..Hα-helixtrans-62.3-43.5174.6-176.40000111W125 M126 V129 K143 F144 A149 Q150 V151W125-V147 HydrophobicContact CB-CG1 4.35Å; W125-V147 HydrophobicContact CD2-CB 4.43Å; W125-V147 HydrophobicContact CD2-CG1 3.86Å; W125-V147 HydrophobicContact CD2-CG2 3.69Å; W125-V147 HydrophobicContact CE3-CB 4.28Å; W125-V147 HydrophobicContact CE3-CG1 3.74Å; W125-V147 HydrophobicContact CE3-CG2 3.82Å; W125-V147 HydrophobicContact CG-CG1 4.13Å; W125-V147 HydrophobicContact CG-CG2 4.39Å; W125-V147 HydrophobicContact CH2-CG2 3.82Å; W125-V147 HydrophobicContact CZ2-CG2 3.68Å; W125-V147 HydrophobicContact CZ3-CB 4.48Å; W125-V147 HydrophobicContact CZ3-CG1 4.38Å; W125-V147 HydrophobicContact CZ3-CG2 3.88Å; M126-V147 HydrophobicContact CB-CG1 3.74Å; M126-V147 HydrophobicContact CG-CG1 4.26Å; V129-V147 HydrophobicContact CG1-CG2 4.49Å; V129-V147 HydrophobicContact CG2-CG2 4.32Å; K143-V147 WeakPolarHBondContact O-CG2 3.33Å; K143-V147 PolarHBondContact O-N 2.87Å; F144-V147 PolarHBondContact O-N 2.97Å; V147-A149 VanDerWaalsContact C-N 3.27Å; V147-A149 PolarHBondContact O-N 3.47Å; V147-Q150 WeakPolarHBondContact O-CB 3.2Å; V147-Q150 PolarHBondContact O-N 3.4Å; V147-Q150 VanDerWaalsContact O-N 3.08Å; V147-V151 WeakPolarHBondContact O-CG2 3.45Å; V147-V151 PolarHBondContact O-N 3.41Å
148Q93.7Very high92.3Very high64 Ų6476.2 Ų76.230%0.29937%0.367SS..Hα-helixtrans-63.2-31.9176.9-159.6-162.557.500112.5M126 F144 K146 R152M126-Q148 HydrophobicContact SD-CG 4.33Å; F144-Q148 WeakPolarHBondContact O-CB 3.49Å; F144-Q148 PolarHBondContact O-N 3.43Å; K146-Q148 PolarHBondContact O-N 3.03Å; Q148-R152 VanDerWaalsContact CD-NH2 3.34Å; Q148-R152 WeakPolarHBondContact O-CG 3.44Å; Q148-R152 PolarHBondContact O-N 3.01Å; Q148-R152 PolarHBondContact O-NH1 3.49Å; Q148-R152 VanDerWaalsContact OE1-CZ 3.24Å
149A95.6Very high93.1Very high47 Ų4772 Ų7239%0.38835%0.349SS..Hα-helixtrans-67.6-45.7170.400000111.4R145 K146 V147 V151 R152 T153R145-A149 PolarHBondContact O-N 2.84Å; K146-A149 WeakPolarHBondContact O-CB 3.28Å; K146-A149 PolarHBondContact O-N 3.28Å; V147-A149 VanDerWaalsContact C-N 3.27Å; V147-A149 PolarHBondContact O-N 3.47Å; A149-V151 VanDerWaalsContact C-N 3.31Å; A149-V151 PolarHBondContact O-N 3.49Å; A149-R152 WeakPolarHBondContact O-CB 3.44Å; A149-R152 PolarHBondContact O-N 3.18Å; A149-R152 VanDerWaalsContact O-N 3.1Å; A149-T153 PolarHBondContact O-N 3.2Å; A149-T153 PolarHBondContact O-OG1 3.38Å
150Q96.1Very high93.7Very high90 Ų9069.8 Ų69.842%0.42134%0.34SS..Hα-helixtrans-60.7-38177.4-172.663.27.900112.7A122 K146 V147 T153 T154A122-Q150 HydrophobicContact CB-CG 4.5Å; K146-Q150 PolarHBondContact O-N 3.44Å; V147-Q150 WeakPolarHBondContact O-CB 3.2Å; V147-Q150 PolarHBondContact O-N 3.4Å; V147-Q150 VanDerWaalsContact O-N 3.08Å; Q150-T153 PolarHBondContact O-N 3.1Å; Q150-T154 HydrophobicContact CG-CG2 4.41Å; Q150-T154 WeakPolarHBondContact O-CB 3.26Å; Q150-T154 WeakPolarHBondContact O-CG2 3.12Å; Q150-T154 PolarHBondContact O-N 2.92Å; Q150-T154 PolarHBondContact O-OG1 3.24Å
151V97.6Very high94.4Very high14 Ų1468.4 Ų68.49%0.08533%0.334CS..Hα-helixtrans-62.7-40.1174169.70000111.8Y119 A122 L123 M126 V147 A149 T154 K155Y119-V151 HydrophobicContact CE2-CG1 4.14Å; A122-V151 HydrophobicContact CB-CG2 3.86Å; A122-V151 VanDerWaalsContact O-CG2 3.24Å; A122-V151 WeakPolarHBondContact O-CG2 3.16Å; L123-V151 HydrophobicContact CD2-CG1 3.76Å; M126-V151 HydrophobicContact CB-CG2 3.91Å; M126-V151 HydrophobicContact CE-CG1 4.4Å; M126-V151 HydrophobicContact CG-CG2 4.38Å; M126-V151 HydrophobicContact SD-CB 4.23Å; M126-V151 HydrophobicContact SD-CG1 4.21Å; M126-V151 HydrophobicContact SD-CG2 3.89Å; V147-V151 WeakPolarHBondContact O-CG2 3.45Å; V147-V151 PolarHBondContact O-N 3.41Å; A149-V151 VanDerWaalsContact C-N 3.31Å; A149-V151 PolarHBondContact O-N 3.49Å; V151-T154 PolarHBondContact O-OG1 2.93Å; V151-K155 WeakPolarHBondContact O-CB 3.47Å; V151-K155 PolarHBondContact O-N 3.17Å
152R97.4Very high94.8Very high144 Ų14466.3 Ų66.354%0.54332%0.323SS..Hα-helixtrans-64.8-44.5175.7-70176.7-176.3100.3-6.6111.4Q148 A149 S156Q148-R152 VanDerWaalsContact CD-NH2 3.34Å; Q148-R152 WeakPolarHBondContact O-CG 3.44Å; Q148-R152 PolarHBondContact O-N 3.01Å; Q148-R152 PolarHBondContact O-NH1 3.49Å; Q148-R152 VanDerWaalsContact OE1-CZ 3.24Å; A149-R152 WeakPolarHBondContact O-CB 3.44Å; A149-R152 PolarHBondContact O-N 3.18Å; A149-R152 VanDerWaalsContact O-N 3.1Å; R152-S156 WeakPolarHBondContact O-CB 3.41Å; R152-S156 PolarHBondContact O-N 2.97Å
153T97.8Very high95.1Very high90 Ų9067.3 Ų67.355%0.55233%0.331SS*.Hα-helixtrans-64.8-50.3-180-56.40000112A149 Q150 K155 S156 S157A149-T153 PolarHBondContact O-N 3.2Å; A149-T153 PolarHBondContact O-OG1 3.38Å; Q150-T153 PolarHBondContact O-N 3.1Å; T153-K155 PolarHBondContact O-N 3.38Å; T153-S156 PolarHBondContact O-N 2.96Å; T153-S157 PolarHBondContact O-N 3.25Å; T153-S157 VanDerWaalsContact O-N 3.08Å
154T96.4Very high95.5Very high11 Ų1165.9 Ų65.97%0.06733%0.327CS..Hα-helixtrans-64.4-39.7179.4500000111.7A122 Q150 V151 S156 S157 F158A122-T154 HydrophobicContact CB-CG2 4.35Å; Q150-T154 HydrophobicContact CG-CG2 4.41Å; Q150-T154 WeakPolarHBondContact O-CB 3.26Å; Q150-T154 WeakPolarHBondContact O-CG2 3.12Å; Q150-T154 PolarHBondContact O-N 2.92Å; Q150-T154 PolarHBondContact O-OG1 3.24Å; V151-T154 PolarHBondContact O-OG1 2.93Å; T154-S156 PolarHBondContact O-N 3.31Å; T154-S157 PolarHBondContact O-N 3.48Å; T154-F158 PolarHBondContact O-N 3.49Å
155K95.9Very high95.8Very high92 Ų9264 Ų6440%0.432%0.319SS..Hα-helixtrans-58.1-47.8172.2-170.7179.4177.2-178.60112.2Y119 V151 T153 S157 F158 D159Y119-K155 HydrophobicContact CD2-CB 3.8Å; Y119-K155 HydrophobicContact CD2-CG 4.45Å; Y119-K155 HydrophobicContact CE1-CG 4.37Å; Y119-K155 HydrophobicContact CE2-CB 3.46Å; Y119-K155 VanDerWaalsContact CE2-CB 3.46Å; Y119-K155 HydrophobicContact CE2-CD 4.25Å; Y119-K155 HydrophobicContact CE2-CG 3.84Å; V151-K155 WeakPolarHBondContact O-CB 3.47Å; V151-K155 PolarHBondContact O-N 3.17Å; T153-K155 PolarHBondContact O-N 3.38Å; K155-S157 VanDerWaalsContact C-N 3.32Å; K155-S157 PolarHBondContact O-N 3.01Å; K155-F158 PolarHBondContact O-N 2.85Å; K155-D159 WeakPolarHBondContact CE-OD2 3.38Å; K155-D159 WeakPolarHBondContact CG-OD2 3.38Å; K155-D159 WeakPolarHBondContact O-CB 3.2Å; K155-D159 PolarHBondContact O-N 3.33Å
156S97.3Very high96Very high83 Ų8358.4 Ų58.458%0.5830%0.3SS*.Hα-helixtrans-61.8-40.5-178.5-175.60000112.1R152 T153 T154 K160R152-S156 WeakPolarHBondContact O-CB 3.41Å; R152-S156 PolarHBondContact O-N 2.97Å; T153-S156 PolarHBondContact O-N 2.96Å; T154-S156 PolarHBondContact O-N 3.31Å; S156-K160 WeakPolarHBondContact O-CB 3.34Å; S156-K160 PolarHBondContact O-N 3.02Å; S156-K160 VanDerWaalsContact O-N 3.1Å
157S96.9Very high96.1Very high53 Ų5358.6 Ų58.637%0.37130%0.303SS..Hα-helixtrans-61.4-49.2173.3-170.20000112.1S115 T153 T154 K155 K160 L161S115-S157 PolarHBondContact OG-OG 3.28Å; T153-S157 PolarHBondContact O-N 3.25Å; T153-S157 VanDerWaalsContact O-N 3.08Å; T154-S157 PolarHBondContact O-N 3.48Å; K155-S157 VanDerWaalsContact C-N 3.32Å; K155-S157 PolarHBondContact O-N 3.01Å; S157-K160 PolarHBondContact O-N 3.41Å; S157-L161 WeakPolarHBondContact O-CB 3.44Å; S157-L161 PolarHBondContact O-N 3.43Å
158F96.3Very high96.2Very high28 Ų2861.4 Ų61.412%0.12332%0.315CS..Hα-helixtrans-62.7-47.7178.3167.7-114.6000112.4M112 S115 R116 Y119 T154 K155 K160 L161 K162M112-F158 HydrophobicContact CG-CE2 4.41Å; M112-F158 HydrophobicContact SD-CD2 4.48Å; M112-F158 HydrophobicContact SD-CE2 3.89Å; S115-F158 PolarHBondContact OG-N 2.95Å; R116-F158 HydrophobicContact CB-CD2 3.62Å; R116-F158 HydrophobicContact CB-CE2 3.55Å; R116-F158 HydrophobicContact CB-CZ 4.38Å; R116-F158 HydrophobicContact CG-CD2 4.27Å; R116-F158 HydrophobicContact CG-CE2 3.81Å; R116-F158 HydrophobicContact CG-CZ 4.18Å; Y119-F158 AromaticContact CD1-CD1 3.91Å; Y119-F158 HydrophobicContact CD1-CD1 3.91Å; Y119-F158 HydrophobicContact CD1-CE1 4.5Å; Y119-F158 HydrophobicContact CD1-CG 4.49Å; Y119-F158 HydrophobicContact CE1-CD1 4.35Å; T154-F158 PolarHBondContact O-N 3.49Å; K155-F158 PolarHBondContact O-N 2.85Å; F158-K160 VanDerWaalsContact C-N 3.27Å; F158-K160 PolarHBondContact O-N 3.23Å; F158-L161 PolarHBondContact O-N 2.73Å; F158-K162 HydrophobicContact CE1-CD 4.48Å; F158-K162 HydrophobicContact CE2-CB 4.37Å; F158-K162 HydrophobicContact CZ-CD 4.23Å; F158-K162 WeakPolarHBondContact O-CB 3.5Å; F158-K162 PolarHBondContact O-N 2.92Å
159D95.3Very high96.4Very high46 Ų4658.5 Ų58.525%0.24630%0.301CS..Hα-helixtrans-63.4-32.4-179.7-84.8-35.4000112.1K155 K162 N163K155-D159 WeakPolarHBondContact CE-OD2 3.38Å; K155-D159 WeakPolarHBondContact CG-OD2 3.38Å; K155-D159 WeakPolarHBondContact O-CB 3.2Å; K155-D159 PolarHBondContact O-N 3.33Å; D159-K162 IonicContact OD1-NZ 3.93Å; D159-K162 PolarHBondContact OD1-NZ 3.14Å; D159-N163 VanDerWaalsContact O-CG 3.28Å; D159-N163 PolarHBondContact O-N 2.96Å; D159-N163 PolarHBondContact O-ND2 3.34Å; D159-N163 PolarHBondContact O-OD1 2.92Å
160K96.9Very high96.4Very high134 Ų13460.7 Ų60.758%0.58331%0.306SS*.Hα-helixtrans-67.2-57.6170.2-177.8-176.3173.5-177.50111.5S156 S157 F158 K162 N163 D164S156-K160 WeakPolarHBondContact O-CB 3.34Å; S156-K160 PolarHBondContact O-N 3.02Å; S156-K160 VanDerWaalsContact O-N 3.1Å; S157-K160 PolarHBondContact O-N 3.41Å; F158-K160 VanDerWaalsContact C-N 3.27Å; F158-K160 PolarHBondContact O-N 3.23Å; K160-K162 PolarHBondContact O-N 3.08Å; K160-N163 WeakPolarHBondContact O-CA 3.49Å; K160-N163 WeakPolarHBondContact O-CB 3.36Å; K160-N163 PolarHBondContact O-N 3.37Å; K160-D164 PolarHBondContact O-N 3.24Å
161L96.3Very high96.5Very high30 Ų3062.2 Ų62.216%0.15732%0.317CS..Hα-helixtrans-59.5-31.7-177-77.6166000112.8R111 M112 S157 F158 D164 V165R111-L161 HydrophobicContact CB-CD2 4.26Å; M112-L161 HydrophobicContact CB-CB 3.95Å; M112-L161 HydrophobicContact CG-CB 4.21Å; S157-L161 WeakPolarHBondContact O-CB 3.44Å; S157-L161 PolarHBondContact O-N 3.43Å; F158-L161 PolarHBondContact O-N 2.73Å; L161-D164 PolarHBondContact O-N 3.11Å; L161-V165 WeakPolarHBondContact O-CB 3.47Å; L161-V165 VanDerWaalsContact O-CG2 3.32Å; L161-V165 WeakPolarHBondContact O-CG2 3.37Å; L161-V165 PolarHBondContact O-N 2.66Å
162K94.6Very high96.5Very high22 Ų2261.8 Ų61.810%0.09631%0.314CS..Hα-helixtrans-61.2-42.2171.5-178.6-166.371.9-168.40112.2F9 M112 F158 D159 K160 C166F9-K162 HydrophobicContact CD2-CD 4.42Å; F9-K162 HydrophobicContact CD2-CG 3.57Å; F9-K162 HydrophobicContact CE2-CB 4.28Å; F9-K162 HydrophobicContact CE2-CG 3.49Å; F9-K162 VanDerWaalsContact CE2-CG 3.49Å; F9-K162 HydrophobicContact CG-CG 4.23Å; F9-K162 HydrophobicContact CZ-CG 4.08Å; M112-K162 HydrophobicContact CG-CB 4.49Å; F158-K162 HydrophobicContact CE1-CD 4.48Å; F158-K162 HydrophobicContact CE2-CB 4.37Å; F158-K162 HydrophobicContact CZ-CD 4.23Å; F158-K162 WeakPolarHBondContact O-CB 3.5Å; F158-K162 PolarHBondContact O-N 2.92Å; D159-K162 IonicContact OD1-NZ 3.93Å; D159-K162 PolarHBondContact OD1-NZ 3.14Å; K160-K162 PolarHBondContact O-N 3.08Å; K162-C166 PolarHBondContact O-N 3.42Å; K162-C166 PolarHBondContact O-SG 2.91Å; K162-C166 VanDerWaalsContact O-SG 3.34Å
163N94.9Very high96.5Very high80 Ų8055.9 Ų55.943%0.42830%0.298SS..Hα-helixtrans-71.5-42.7176.2-63.3-15.6000111.3D159 K160 V165 C166 Q167D159-N163 VanDerWaalsContact O-CG 3.28Å; D159-N163 PolarHBondContact O-N 2.96Å; D159-N163 PolarHBondContact O-ND2 3.34Å; D159-N163 PolarHBondContact O-OD1 2.92Å; K160-N163 WeakPolarHBondContact O-CA 3.49Å; K160-N163 WeakPolarHBondContact O-CB 3.36Å; K160-N163 PolarHBondContact O-N 3.37Å; N163-V165 PolarHBondContact O-N 3.44Å; N163-C166 PolarHBondContact O-N 3.09Å; N163-Q167 WeakPolarHBondContact O-CG 3.23Å; N163-Q167 PolarHBondContact O-N 3.02Å; N163-Q167 VanDerWaalsContact O-N 3.08Å
164D96.6Very high96.4Very high51 Ų5154 Ų5427%0.27329%0.292SS..Hα-helixtrans-56.6-40.3175.5-60.7-18.3000110.9T108 K160 L161 K168T108-D164 HydrophobicContact CG2-CB 4.33Å; K160-D164 PolarHBondContact O-N 3.24Å; L161-D164 PolarHBondContact O-N 3.11Å; D164-K168 WeakPolarHBondContact O-CB 3.1Å; D164-K168 WeakPolarHBondContact O-CG 3.5Å; D164-K168 PolarHBondContact O-N 3.09Å
165V96.9Very high96.5Very high2 Ų256 Ų561%0.01231%0.306CS..Hα-helixtrans-63.8-48.2174.8162.70000112.3F9 T108 V109 M112 L161 N163 Q167 K168 V169F9-V165 HydrophobicContact CE2-CB 4.41Å; F9-V165 HydrophobicContact CE2-CG1 4.03Å; F9-V165 HydrophobicContact CZ-CG1 4.11Å; T108-V165 HydrophobicContact CG2-CG2 4.09Å; V109-V165 HydrophobicContact CG2-CG1 3.95Å; V109-V165 HydrophobicContact CG2-CG2 4.06Å; M112-V165 HydrophobicContact CB-CG2 3.68Å; M112-V165 HydrophobicContact CE-CG2 4.49Å; M112-V165 HydrophobicContact CG-CG2 3.98Å; L161-V165 WeakPolarHBondContact O-CB 3.47Å; L161-V165 VanDerWaalsContact O-CG2 3.32Å; L161-V165 WeakPolarHBondContact O-CG2 3.37Å; L161-V165 PolarHBondContact O-N 2.66Å; N163-V165 PolarHBondContact O-N 3.44Å; V165-Q167 PolarHBondContact O-N 2.75Å; V165-K168 PolarHBondContact O-N 3.35Å; V165-V169 HydrophobicContact CG1-CG2 4.37Å; V165-V169 VanDerWaalsContact O-CG2 3.29Å; V165-V169 WeakPolarHBondContact O-CG2 3.25Å; V165-V169 PolarHBondContact O-N 3.43Å
166C95.1Very high96.6Very high14 Ų1454.6 Ų54.610%0.09530%0.298CS..Hα-helixtrans-58.2-51.3179-64.10000111K162 N163 K168 V169 D170K162-C166 PolarHBondContact O-N 3.42Å; K162-C166 PolarHBondContact O-SG 2.91Å; K162-C166 VanDerWaalsContact O-SG 3.34Å; N163-C166 PolarHBondContact O-N 3.09Å; C166-K168 VanDerWaalsContact C-N 3.34Å; C166-K168 PolarHBondContact O-N 3.42Å; C166-V169 PolarHBondContact O-N 3.35Å; C166-V169 VanDerWaalsContact O-N 3.07Å; C166-D170 PolarHBondContact O-N 3.31Å
167Q96.3Very high96.6Very high135 Ų13554 Ų5463%0.63129%0.293SS*.Hα-helixtrans-59.2-41-179.7-68.4179-300112.7N163 V165 L171N163-Q167 WeakPolarHBondContact O-CG 3.23Å; N163-Q167 PolarHBondContact O-N 3.02Å; N163-Q167 VanDerWaalsContact O-N 3.08Å; V165-Q167 PolarHBondContact O-N 2.75Å; Q167-L171 WeakPolarHBondContact O-CB 3.36Å; Q167-L171 PolarHBondContact O-N 3.06Å
168K97.4Very high96.6Very high60 Ų6057.1 Ų57.126%0.26131%0.306SS..Hα-helixtrans-67.6-37.6174.8-77.7-161.6179.8-172.30112.9D104 T105 T108 D164 V165 C166 L172D104-K168 IonicContact OD1-NZ 2.64Å; D104-K168 PolarHBondContact OD1-NZ 3.35Å; D104-K168 WeakPolarHBondContact OD2-CE 3.18Å; D104-K168 IonicContact OD2-NZ 3.82Å; D104-K168 PolarHBondContact OD2-NZ 3.47Å; T105-K168 HydrophobicContact CG2-CB 4.14Å; T108-K168 HydrophobicContact CG2-CD 4.08Å; T108-K168 WeakPolarHBondContact OG1-CD 3.47Å; T108-K168 PolarHBondContact OG1-NZ 2.93Å; D164-K168 WeakPolarHBondContact O-CB 3.1Å; D164-K168 WeakPolarHBondContact O-CG 3.5Å; D164-K168 PolarHBondContact O-N 3.09Å; V165-K168 PolarHBondContact O-N 3.35Å; C166-K168 VanDerWaalsContact C-N 3.34Å; C166-K168 PolarHBondContact O-N 3.42Å; K168-L172 WeakPolarHBondContact O-CB 3.5Å; K168-L172 PolarHBondContact O-N 3.25Å
169V97.4Very high96.6Very high2 Ų257.3 Ų57.31%0.01231%0.308CS..Hα-helixtrans-68.7-40.2178.5172.10000111.6V15 F16 T105 V165 C166 L172 G173V15-V169 HydrophobicContact CB-CG1 4.2Å; V15-V169 HydrophobicContact CG1-CG1 3.88Å; F16-V169 HydrophobicContact CB-CG1 4.37Å; F16-V169 HydrophobicContact CB-CG2 3.85Å; F16-V169 HydrophobicContact CD2-CG2 4.39Å; F16-V169 HydrophobicContact CG-CG2 4.42Å; T105-V169 HydrophobicContact CG2-CG2 3.96Å; V165-V169 HydrophobicContact CG1-CG2 4.37Å; V165-V169 VanDerWaalsContact O-CG2 3.29Å; V165-V169 WeakPolarHBondContact O-CG2 3.25Å; V165-V169 PolarHBondContact O-N 3.43Å; C166-V169 PolarHBondContact O-N 3.35Å; C166-V169 VanDerWaalsContact O-N 3.07Å; V169-L172 PolarHBondContact O-N 3.09Å; V169-G173 PolarHBondContact O-N 3.35Å
170D96Very high96.7Very high93 Ų9356.8 Ų56.850%0.49731%0.305SS..Hα-helixtrans-62.3-47.7174.5-66.3-31.2000111.1H12 C166 L172 G173 A174H12-D170 IonicContact CD2-OD1 3.54Å; H12-D170 IonicContact NE2-OD1 3.26Å; C166-D170 PolarHBondContact O-N 3.31Å; D170-L172 VanDerWaalsContact C-N 3.34Å; D170-L172 PolarHBondContact O-N 2.95Å; D170-G173 PolarHBondContact O-N 3.35Å; D170-A174 PolarHBondContact O-N 3.2Å
171L96.9Very high96.6Very high122 Ų12254.3 Ų54.364%0.63930%0.304SS*.Hα-helixtrans-63.3-38.2176.3-17860.9000112.3Q167 A174 S175Q167-L171 WeakPolarHBondContact O-CB 3.36Å; Q167-L171 PolarHBondContact O-N 3.06Å; L171-A174 PolarHBondContact O-N 2.95Å; L171-S175 WeakPolarHBondContact O-CB 3.29Å; L171-S175 PolarHBondContact O-N 3.45Å
172L98Very high96.5Very high5 Ų559.7 Ų59.73%0.02633%0.328CS..Hα-helixtrans-64.2-40.6175.1-173.572.1000111.2F16 I19 F97 A101 I102 T105 K168 V169 D170 R176F16-L172 HydrophobicContact CD2-CD2 3.9Å; F16-L172 HydrophobicContact CE2-CD2 4.14Å; I19-L172 HydrophobicContact CD1-CD2 4.45Å; I19-L172 HydrophobicContact CG2-CD2 3.94Å; I19-L172 HydrophobicContact CG2-CG 4.22Å; F97-L172 HydrophobicContact CE1-CD1 4.14Å; F97-L172 HydrophobicContact CE2-CD1 3.85Å; F97-L172 HydrophobicContact CZ-CD1 3.4Å; F97-L172 VanDerWaalsContact CZ-CD1 3.4Å; F97-L172 HydrophobicContact CZ-CG 3.92Å; A101-L172 HydrophobicContact CB-CD1 3.58Å; I102-L172 HydrophobicContact CG1-CD1 4.11Å; I102-L172 HydrophobicContact CG1-CD2 4.33Å; T105-L172 HydrophobicContact CG2-CD2 4.12Å; K168-L172 WeakPolarHBondContact O-CB 3.5Å; K168-L172 PolarHBondContact O-N 3.25Å; V169-L172 PolarHBondContact O-N 3.09Å; D170-L172 VanDerWaalsContact C-N 3.34Å; D170-L172 PolarHBondContact O-N 2.95Å; L172-R176 WeakPolarHBondContact O-CB 3.27Å; L172-R176 PolarHBondContact O-N 3.28Å
173G96.7Very high96.4Very high20 Ų2059.1 Ų59.121%0.20633%0.326CS..Hα-helixtrans-61.2-52.3173.800000112.2V169 D170 S175 R176 C177V169-G173 PolarHBondContact O-N 3.35Å; D170-G173 PolarHBondContact O-N 3.35Å; G173-S175 PolarHBondContact O-N 3.33Å; G173-R176 PolarHBondContact O-N 2.86Å; G173-C177 PolarHBondContact O-N 2.92Å; G173-C177 VanDerWaalsContact O-N 3.1Å; G173-C177 PolarHBondContact O-SG 3.35Å; G173-C177 VanDerWaalsContact O-SG 3.4Å
174A97.1Very high96.5Very high52 Ų5257.7 Ų57.743%0.4332%0.319SS..Hα-helixtrans-61-44.3177.600000112.4D170 L171 R176 C177 N178D170-A174 PolarHBondContact O-N 3.2Å; L171-A174 PolarHBondContact O-N 2.95Å; A174-R176 VanDerWaalsContact C-N 3.34Å; A174-R176 PolarHBondContact O-N 3.24Å; A174-C177 PolarHBondContact O-N 3.44Å; A174-N178 PolarHBondContact O-N 2.91Å
175S97.9Very high96.5Very high51 Ų5158.8 Ų58.836%0.35733%0.327SS..Hα-helixtrans-60-42.2176.4179.70000111.9L171 G173 C177 N178 L179L171-S175 WeakPolarHBondContact O-CB 3.29Å; L171-S175 PolarHBondContact O-N 3.45Å; G173-S175 PolarHBondContact O-N 3.33Å; S175-C177 PolarHBondContact O-N 3.02Å; S175-N178 PolarHBondContact O-N 3.36Å; S175-L179 WeakPolarHBondContact O-CB 3.37Å; S175-L179 PolarHBondContact O-N 2.92Å
176R97.6Very high96.4Very high64 Ų6462.6 Ų62.624%0.24235%0.351CS..Hα-helixtrans-61.7-43.6175.4-166.2-179.380.7156.74.3112.3T22 C23 F97 L172 G173 A174 L179 L180T22-R176 PolarHBondContact OG1-NH1 3.05Å; C23-R176 VanDerWaalsContact SG-CD 3.58Å; F97-R176 HydrophobicContact CE1-CB 4.08Å; F97-R176 HydrophobicContact CE1-CG 4.03Å; F97-R176 HydrophobicContact CE2-CB 4.29Å; F97-R176 HydrophobicContact CZ-CB 3.65Å; F97-R176 HydrophobicContact CZ-CG 4.12Å; L172-R176 WeakPolarHBondContact O-CB 3.27Å; L172-R176 PolarHBondContact O-N 3.28Å; G173-R176 PolarHBondContact O-N 2.86Å; A174-R176 VanDerWaalsContact C-N 3.34Å; A174-R176 PolarHBondContact O-N 3.24Å; R176-L179 PolarHBondContact O-N 3.27Å; R176-L180 HydrophobicContact CG-CD1 4.02Å; R176-L180 HydrophobicContact CG-CG 4.48Å; R176-L180 WeakPolarHBondContact O-CB 3.27Å; R176-L180 WeakPolarHBondContact O-CG 3.23Å; R176-L180 PolarHBondContact O-N 3.45Å
177C96.9Very high96.4Very high70 Ų7063.8 Ų63.847%0.47335%0.353SS..Hα-helixtrans-62.7-47.3178.4-67.90000111.1G173 A174 S175 L179 L180 S181G173-C177 PolarHBondContact O-N 2.92Å; G173-C177 VanDerWaalsContact O-N 3.1Å; G173-C177 PolarHBondContact O-SG 3.35Å; G173-C177 VanDerWaalsContact O-SG 3.4Å; A174-C177 PolarHBondContact O-N 3.44Å; S175-C177 PolarHBondContact O-N 3.02Å; C177-L179 VanDerWaalsContact C-N 3.35Å; C177-L179 PolarHBondContact O-N 3.26Å; C177-L180 PolarHBondContact O-N 3.14Å; C177-S181 WeakPolarHBondContact O-CB 3.47Å; C177-S181 PolarHBondContact O-N 3.45Å; C177-S181 PolarHBondContact O-OG 3.4Å; C177-S181 VanDerWaalsContact O-OG 3.06Å
178N96.9Very high96.5Very high119 Ų11962.3 Ų62.364%0.63635%0.347SS*.Hα-helixtrans-61.2-42.7178.4-68.5-3.3000112.2A174 S175 H182A174-N178 PolarHBondContact O-N 2.91Å; S175-N178 PolarHBondContact O-N 3.36Å; N178-H182 PolarHBondContact O-N 2.87Å
179L97Very high96.4Very high32 Ų3263.6 Ų63.617%0.16836%0.36CS..Hα-helixtrans-59.3-51.2176.4-173.572000111.8E93 F97 S175 R176 C177 H182 V183E93-L179 HydrophobicContact CB-CD1 4.14Å; E93-L179 WeakPolarHBondContact OE2-CD1 3.31Å; F97-L179 HydrophobicContact CB-CD2 3.6Å; F97-L179 HydrophobicContact CD2-CD2 3.99Å; F97-L179 HydrophobicContact CG-CD2 3.83Å; S175-L179 WeakPolarHBondContact O-CB 3.37Å; S175-L179 PolarHBondContact O-N 2.92Å; R176-L179 PolarHBondContact O-N 3.27Å; C177-L179 VanDerWaalsContact C-N 3.35Å; C177-L179 PolarHBondContact O-N 3.26Å; L179-H182 PolarHBondContact O-N 3.08Å; L179-V183 HydrophobicContact CD1-CG2 4.37Å; L179-V183 VanDerWaalsContact O-CG2 3.28Å; L179-V183 WeakPolarHBondContact O-CG2 3.42Å; L179-V183 PolarHBondContact O-N 2.71Å
180L96.4Very high96.4Very high35 Ų3564.9 Ų64.918%0.18337%0.368CS..Hα-helixtrans-66.8-44.1-177.5-70174.1000111.7L26 L90 I94 R176 C177 H182 V183 L184L26-L180 HydrophobicContact CD2-CD2 4.12Å; L90-L180 HydrophobicContact CD1-CD2 4.45Å; I94-L180 HydrophobicContact CD1-CD2 4.27Å; I94-L180 HydrophobicContact CG1-CD2 4.35Å; R176-L180 HydrophobicContact CG-CD1 4.02Å; R176-L180 HydrophobicContact CG-CG 4.48Å; R176-L180 WeakPolarHBondContact O-CB 3.27Å; R176-L180 WeakPolarHBondContact O-CG 3.23Å; R176-L180 PolarHBondContact O-N 3.45Å; C177-L180 PolarHBondContact O-N 3.14Å; L180-H182 VanDerWaalsContact C-N 3.31Å; L180-H182 PolarHBondContact O-N 3.33Å; L180-V183 PolarHBondContact O-N 2.92Å; L180-L184 HydrophobicContact CB-CD1 4.06Å; L180-L184 HydrophobicContact CD2-CD1 4.47Å; L180-L184 WeakPolarHBondContact O-CB 3.44Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 3.07Å
181S95.6Very high96.4Very high81 Ų8162.4 Ų62.457%0.56635%0.354SS*.Hα-helixtrans-57.3-42.9177.7-650000112.4C177 T185C177-S181 WeakPolarHBondContact O-CB 3.47Å; C177-S181 PolarHBondContact O-N 3.45Å; C177-S181 PolarHBondContact O-OG 3.4Å; C177-S181 VanDerWaalsContact O-OG 3.06Å; S181-T185 PolarHBondContact O-OG1 3.31Å
182H93.4Very high96.4Very high144 Ų14462.8 Ų62.867%0.66736%0.356SS*.Hα-helixtrans-69.1-54177.5-176.9-101.7000112N178 L179 L180 T185N178-H182 PolarHBondContact O-N 2.87Å; L179-H182 PolarHBondContact O-N 3.08Å; L180-H182 VanDerWaalsContact C-N 3.31Å; L180-H182 PolarHBondContact O-N 3.33Å; H182-T185 WeakPolarHBondContact O-CB 3.41Å; H182-T185 PolarHBondContact O-N 3.26Å
183V94.3Very high96.3Very high9 Ų967 Ų676%0.05538%0.375CS..Hα-helixtrans-77.4-28.2-168.3-1730000112.7R89 L90 E93 L179 L180 T185R89-V183 HydrophobicContact CG-CG1 4.46Å; L90-V183 HydrophobicContact CB-CG1 4.06Å; L90-V183 HydrophobicContact CD1-CB 4.09Å; L90-V183 HydrophobicContact CD1-CG1 3.74Å; E93-V183 HydrophobicContact CB-CG2 4.23Å; E93-V183 HydrophobicContact CG-CG1 4.28Å; E93-V183 HydrophobicContact CG-CG2 3.9Å; L179-V183 HydrophobicContact CD1-CG2 4.37Å; L179-V183 VanDerWaalsContact O-CG2 3.28Å; L179-V183 WeakPolarHBondContact O-CG2 3.42Å; L179-V183 PolarHBondContact O-N 2.71Å; L180-V183 PolarHBondContact O-N 2.92Å; V183-T185 VanDerWaalsContact C-N 3.31Å; V183-T185 PolarHBondContact O-N 3.01Å
184L95.9Very high96.3Very high50 Ų5066.3 Ų66.326%0.26237%0.367SS..Hα-helixtrans-70.1-26.3173.8-68.6171.7000113L90 L180 T186 Y187 Q188L90-L184 HydrophobicContact CD1-CD2 3.84Å; L90-L184 HydrophobicContact CD1-CG 4.25Å; L90-L184 HydrophobicContact CD2-CD2 3.69Å; L90-L184 HydrophobicContact CG-CD2 4.44Å; L180-L184 HydrophobicContact CB-CD1 4.06Å; L180-L184 HydrophobicContact CD2-CD1 4.47Å; L180-L184 WeakPolarHBondContact O-CB 3.44Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 3.07Å; L184-T186 PolarHBondContact O-N 2.88Å; L184-Y187 WeakPolarHBondContact O-CB 3.5Å; L184-Y187 PolarHBondContact O-N 3.44Å; L184-Q188 WeakPolarHBondContact O-CB 3.49Å; L184-Q188 WeakPolarHBondContact O-CG 3.42Å; L184-Q188 PolarHBondContact O-N 3.25Å
185T96.8Very high96.2Very high74 Ų7471.1 Ų71.145%0.45437%0.374SS..Hα-helixtrans-57.9-49.2-178.9-65.30000111S181 H182 V183 Y187 Q188 T189S181-T185 PolarHBondContact O-OG1 3.31Å; H182-T185 WeakPolarHBondContact O-CB 3.41Å; H182-T185 PolarHBondContact O-N 3.26Å; V183-T185 VanDerWaalsContact C-N 3.31Å; V183-T185 PolarHBondContact O-N 3.01Å; T185-Y187 VanDerWaalsContact C-N 3.3Å; T185-Y187 PolarHBondContact O-N 3.37Å; T185-Q188 PolarHBondContact O-N 3.15Å; T185-T189 PolarHBondContact O-N 3.4Å; T185-T189 PolarHBondContact O-OG1 3.4Å; T185-T189 VanDerWaalsContact O-OG1 3.13Å
186T93.8Very high96.1Very high83 Ų8370.8 Ų70.851%0.50938%0.378SS..Hα-helixtrans-61.3-38.4178.6-45.10000112.2P86 L184 T190P86-T186 HydrophobicContact CB-CG2 4.19Å; L184-T186 PolarHBondContact O-N 2.88Å; T186-T190 WeakPolarHBondContact O-CB 3.35Å; T186-T190 PolarHBondContact O-N 3.4Å; T186-T190 VanDerWaalsContact O-N 3.09Å; T186-T190 PolarHBondContact O-OG1 3.46Å
187Y96.3Very high95.9Very high38 Ų3871.3 Ų71.315%0.14938%0.382CS..Hα-helixtrans-64.9-47.7175.4167.1-109.1000111.6Y33 L83 L87 L184 T185 T190 L191Y33-Y187 HydrophobicContact CE1-CE2 4.1Å; Y33-Y187 VanDerWaalsContact CE1-OH 3.3Å; Y33-Y187 WeakPolarHBondContact CE1-OH 3.49Å; Y33-Y187 PolarHBondContact OH-OH 2.73Å; L83-Y187 HydrophobicContact CD2-CD2 4.48Å; L83-Y187 HydrophobicContact CD2-CE2 4.25Å; L87-Y187 HydrophobicContact CD1-CE2 4.25Å; L87-Y187 HydrophobicContact CD2-CD2 3.74Å; L87-Y187 HydrophobicContact CD2-CE2 3.67Å; L87-Y187 HydrophobicContact CD2-CG 4.42Å; L87-Y187 HydrophobicContact CG-CD2 3.88Å; L87-Y187 HydrophobicContact CG-CE2 3.93Å; L184-Y187 WeakPolarHBondContact O-CB 3.5Å; L184-Y187 PolarHBondContact O-N 3.44Å; T185-Y187 VanDerWaalsContact C-N 3.3Å; T185-Y187 PolarHBondContact O-N 3.37Å; Y187-T190 PolarHBondContact O-N 3.44Å; Y187-L191 HydrophobicContact CE1-CD2 4.37Å; Y187-L191 WeakPolarHBondContact O-CB 3.43Å; Y187-L191 PolarHBondContact O-N 3.22Å
188Q97.1Very high95.7Very high105 Ų10568.7 Ų68.749%0.49137%0.365SS..Hα-helixtrans-61.4-46.8179.2-72.6171-17.300112.1L184 T185 T190 L191 L192L184-Q188 WeakPolarHBondContact O-CB 3.49Å; L184-Q188 WeakPolarHBondContact O-CG 3.42Å; L184-Q188 PolarHBondContact O-N 3.25Å; T185-Q188 PolarHBondContact O-N 3.15Å; Q188-T190 VanDerWaalsContact C-N 3.33Å; Q188-T190 PolarHBondContact O-N 2.78Å; Q188-L191 PolarHBondContact O-N 2.64Å; Q188-L192 WeakPolarHBondContact O-CG 3.29Å; Q188-L192 PolarHBondContact O-N 3.24Å
189T96.8Very high95.6Very high87 Ų8766.8 Ų66.853%0.53436%0.36SS..Hα-helixtrans-61.2-40.9176-54.90000111.7T185 L192 H193T185-T189 PolarHBondContact O-N 3.4Å; T185-T189 PolarHBondContact O-OG1 3.4Å; T185-T189 VanDerWaalsContact O-OG1 3.13Å; T189-L192 PolarHBondContact O-N 2.91Å; T189-H193 WeakPolarHBondContact O-CB 3.28Å; T189-H193 PolarHBondContact O-N 2.91Å
190T96.1Very high95.4Very high29 Ų2970.9 Ų70.918%0.17838%0.378CS..Hα-helixtrans-65.3-39.7177-51.80000111.5L83 P86 T186 Y187 Q188 H193 F194L83-T190 HydrophobicContact CD2-CG2 3.8Å; P86-T190 HydrophobicContact CG-CG2 4.27Å; T186-T190 WeakPolarHBondContact O-CB 3.35Å; T186-T190 PolarHBondContact O-N 3.4Å; T186-T190 VanDerWaalsContact O-N 3.09Å; T186-T190 PolarHBondContact O-OG1 3.46Å; Y187-T190 PolarHBondContact O-N 3.44Å; Q188-T190 VanDerWaalsContact C-N 3.33Å; Q188-T190 PolarHBondContact O-N 2.78Å; T190-H193 PolarHBondContact O-N 3.19Å; T190-F194 WeakPolarHBondContact O-CB 3.21Å; T190-F194 PolarHBondContact O-N 3.07Å
191L96.8Very high95.1Very high40 Ų4069.4 Ų69.421%0.20937%0.371CS..Hα-helixtrans-65.9-42.9177.3-173.666.1000112.5L83 Y187 Q188 F194 W195L83-L191 HydrophobicContact CD1-CD1 3.89Å; L83-L191 HydrophobicContact CD2-CB 4Å; L83-L191 HydrophobicContact CD2-CD1 4.07Å; Y187-L191 HydrophobicContact CE1-CD2 4.37Å; Y187-L191 WeakPolarHBondContact O-CB 3.43Å; Y187-L191 PolarHBondContact O-N 3.22Å; Q188-L191 PolarHBondContact O-N 2.64Å; L191-F194 HydrophobicContact CD1-CD1 4.3Å; L191-F194 PolarHBondContact O-N 3.43Å; L191-W195 PolarHBondContact O-N 3.09Å
192L97.1Very high94.9Very high130 Ų13069.4 Ų69.468%0.68136%0.363SS*.Hα-helixtrans-63.5-42.8174.5-70.3169.3000111.7Q188 T189 W195 G196Q188-L192 WeakPolarHBondContact O-CG 3.29Å; Q188-L192 PolarHBondContact O-N 3.24Å; T189-L192 PolarHBondContact O-N 2.91Å; L192-W195 PolarHBondContact O-N 3.43Å; L192-G196 PolarHBondContact O-N 2.69Å
193H95.3Very high94.8Very high93 Ų9364.9 Ų64.943%0.43135%0.35SS..Hα-helixtrans-65.3-38.7176.2168.6-109000112.8T189 T190 K197T189-H193 WeakPolarHBondContact O-CB 3.28Å; T189-H193 PolarHBondContact O-N 2.91Å; T190-H193 PolarHBondContact O-N 3.19Å; H193-K197 WeakPolarHBondContact NE2-CD 3.24Å; H193-K197 VanDerWaalsContact NE2-CE 3.28Å; H193-K197 WeakPolarHBondContact NE2-CE 3.29Å; H193-K197 PolarHBondContact NE2-NZ 3.43Å; H193-K197 WeakPolarHBondContact O-CB 3.39Å; H193-K197 PolarHBondContact O-N 3.33Å; H193-K197 VanDerWaalsContact O-N 3.09Å
194F96.1Very high94.5Very high6 Ų665.4 Ų65.43%0.02636%0.356CS..Hα-helixtrans-58.9-52.3171.4158.7-107.1000111.6S76 Q79 R80 L83 T190 L191 T198S76-F194 WeakPolarHBondContact O-CE2 3.44Å; Q79-F194 HydrophobicContact CB-CD2 3.96Å; R80-F194 HydrophobicContact CB-CD2 4.02Å; R80-F194 HydrophobicContact CB-CE2 3.6Å; R80-F194 HydrophobicContact CB-CZ 3.99Å; R80-F194 HydrophobicContact CG-CE1 4.49Å; R80-F194 HydrophobicContact CG-CE2 4.23Å; R80-F194 HydrophobicContact CG-CZ 4.14Å; L83-F194 HydrophobicContact CD1-CD1 4.49Å; T190-F194 WeakPolarHBondContact O-CB 3.21Å; T190-F194 PolarHBondContact O-N 3.07Å; L191-F194 HydrophobicContact CD1-CD1 4.3Å; L191-F194 PolarHBondContact O-N 3.43Å; F194-T198 VanDerWaalsContact CE2-OG1 3.23Å; F194-T198 WeakPolarHBondContact CE2-OG1 3.42Å; F194-T198 WeakPolarHBondContact O-CB 3.34Å; F194-T198 PolarHBondContact O-N 3.27Å; F194-T198 PolarHBondContact O-OG1 3.4Å
195W96.9Very high94.1Very high153 Ų15363.2 Ų63.258%0.5834%0.344SS*.Hα-helixtrans-65.3-41.5-179.7-77.5119.2000112.5L191 L192 T198 S199L191-W195 PolarHBondContact O-N 3.09Å; L192-W195 PolarHBondContact O-N 3.43Å; W195-T198 PolarHBondContact O-N 3.49Å; W195-S199 WeakPolarHBondContact O-CB 3.4Å; W195-S199 PolarHBondContact O-N 3.04Å
196G95.4Very high93.6Very high44 Ų4464.9 Ų64.945%0.45435%0.346SS..Hα-helixtrans-59.7-49.4177.800000112.5L192 H200L192-G196 PolarHBondContact O-N 2.69Å; G196-H200 WeakPolarHBondContact O-CB 3.44Å; G196-H200 PolarHBondContact O-N 2.94Å
197K92.7Very high93.3Very high75 Ų7565.7 Ų65.733%0.32634%0.344SS..Hα-helixtrans-63.7-47.6176.7-83-178.8164.4171.90112.4F75 Q79 H193 S199 H200 T201F75-K197 HydrophobicContact CE1-CB 4.11Å; F75-K197 HydrophobicContact CZ-CB 4.09Å; F75-K197 HydrophobicContact CZ-CD 4.24Å; Q79-K197 VanDerWaalsContact NE2-CD 3.34Å; H193-K197 WeakPolarHBondContact NE2-CD 3.24Å; H193-K197 VanDerWaalsContact NE2-CE 3.28Å; H193-K197 WeakPolarHBondContact NE2-CE 3.29Å; H193-K197 PolarHBondContact NE2-NZ 3.43Å; H193-K197 WeakPolarHBondContact O-CB 3.39Å; H193-K197 PolarHBondContact O-N 3.33Å; H193-K197 VanDerWaalsContact O-N 3.09Å; K197-S199 PolarHBondContact O-N 3.47Å; K197-H200 PolarHBondContact O-N 3.21Å; K197-T201 PolarHBondContact O-N 3.18Å; K197-T201 PolarHBondContact O-OG1 2.88Å
198T93.7Very high92.5Very high16 Ų1664.6 Ų64.610%0.09834%0.342CS..Hα-helixtrans-62.4-43.5-179.3-53.60000111.7F194 W195 T201 M202F194-T198 VanDerWaalsContact CE2-OG1 3.23Å; F194-T198 WeakPolarHBondContact CE2-OG1 3.42Å; F194-T198 WeakPolarHBondContact O-CB 3.34Å; F194-T198 PolarHBondContact O-N 3.27Å; F194-T198 PolarHBondContact O-OG1 3.4Å; W195-T198 PolarHBondContact O-N 3.49Å; T198-T201 PolarHBondContact O-N 3.33Å; T198-M202 WeakPolarHBondContact O-CB 3.34Å; T198-M202 PolarHBondContact O-N 3.13Å
199S94.6Very high91.6Very high78 Ų7864.2 Ų64.255%0.54534%0.339SS..Hα-helixtrans-62.3-46.7176.9-175.80000111.7W195 K197 T201 M202 A203W195-S199 WeakPolarHBondContact O-CB 3.4Å; W195-S199 PolarHBondContact O-N 3.04Å; K197-S199 PolarHBondContact O-N 3.47Å; S199-T201 PolarHBondContact O-N 2.94Å; S199-M202 PolarHBondContact O-N 2.82Å; S199-A203 VanDerWaalsContact O-CB 3.26Å; S199-A203 WeakPolarHBondContact O-CB 3.4Å; S199-A203 PolarHBondContact O-N 3.27Å
200H92.3Very high90.5Very high119 Ų11965.6 Ų65.655%0.55134%0.338SS*.Hα-helixtrans-60.8-44.9178.1-175.466.8000112.3G196 K197 A203 A204G196-H200 WeakPolarHBondContact O-CB 3.44Å; G196-H200 PolarHBondContact O-N 2.94Å; K197-H200 PolarHBondContact O-N 3.21Å; H200-A203 PolarHBondContact O-N 3.46Å; H200-A204 PolarHBondContact O-N 2.68Å
201T90.7Very high89Confident3 Ų365.6 Ų65.62%0.01834%0.344CS..Hα-helixtrans-63.3-42.4176.4-52.50000112.4A72 F75 K197 T198 S199 I205 L279A72-T201 HydrophobicContact CB-CG2 3.69Å; F75-T201 HydrophobicContact CD1-CG2 4.2Å; F75-T201 VanDerWaalsContact CE1-OG1 3.31Å; F75-T201 WeakPolarHBondContact CE1-OG1 3.43Å; K197-T201 PolarHBondContact O-N 3.18Å; K197-T201 PolarHBondContact O-OG1 2.88Å; T198-T201 PolarHBondContact O-N 3.33Å; S199-T201 PolarHBondContact O-N 2.94Å; T201-I205 PolarHBondContact O-N 2.99Å; T201-L279 HydrophobicContact CG2-CD2 3.48Å; T201-L279 VanDerWaalsContact CG2-CD2 3.48Å
202M90.9Very high86.9Confident82 Ų8265.6 Ų65.640%0.40435%0.347SS..Hα-helixtrans-70.4-36.2179.1-163.56873.700112.2L73 T198 S199 I205 H206L73-M202 HydrophobicContact CD2-CE 4.33Å; T198-M202 WeakPolarHBondContact O-CB 3.34Å; T198-M202 PolarHBondContact O-N 3.13Å; S199-M202 PolarHBondContact O-N 2.82Å; M202-I205 PolarHBondContact O-N 3.35Å; M202-H206 PolarHBondContact O-N 3.49Å
203A91.3Very high84.7Confident48 Ų4867.3 Ų67.340%0.39735%0.351SS..Hα-helixtrans-65.3-42.4175.500000111.9S199 H200 I205 H206 E207S199-A203 VanDerWaalsContact O-CB 3.26Å; S199-A203 WeakPolarHBondContact O-CB 3.4Å; S199-A203 PolarHBondContact O-N 3.27Å; H200-A203 PolarHBondContact O-N 3.46Å; A203-I205 VanDerWaalsContact C-N 3.27Å; A203-I205 PolarHBondContact O-N 3.03Å; A203-H206 WeakPolarHBondContact O-CB 3.5Å; A203-H206 PolarHBondContact O-N 2.99Å; A203-E207 PolarHBondContact O-N 3.34Å; A203-E207 VanDerWaalsContact O-N 3.09Å
204A87.4Confident82.4Confident21 Ų2169.5 Ų69.517%0.17436%0.362CS..Hα-helixtrans-58.7-40.3174.600000111.8H200 E207 S208 L275 I278H200-A204 PolarHBondContact O-N 2.68Å; A204-E207 PolarHBondContact O-N 2.71Å; A204-S208 PolarHBondContact O-N 3.29Å; A204-L275 HydrophobicContact CB-CD2 3.7Å; A204-I278 HydrophobicContact CB-CD1 4.28Å
205I87.4Confident80Confident4 Ų473.5 Ų73.52%0.02138%0.383CS..Hα-helixtrans-65.3-45175.3-72.3169.4000111.2A68 A72 T201 M202 A203 E207 S208 F209 L275A68-I205 HydrophobicContact CB-CD1 4.47Å; A68-I205 HydrophobicContact CB-CG1 4.43Å; A68-I205 WeakPolarHBondContact O-CD1 3.17Å; A72-I205 HydrophobicContact CB-CD1 3.37Å; T201-I205 PolarHBondContact O-N 2.99Å; M202-I205 PolarHBondContact O-N 3.35Å; A203-I205 VanDerWaalsContact C-N 3.27Å; A203-I205 PolarHBondContact O-N 3.03Å; I205-E207 VanDerWaalsContact C-N 3.27Å; I205-E207 PolarHBondContact O-N 3.14Å; I205-S208 PolarHBondContact O-N 3.29Å; I205-S208 VanDerWaalsContact O-N 3.08Å; I205-S208 PolarHBondContact O-OG 3.14Å; I205-F209 HydrophobicContact CG2-CD2 3.89Å; I205-F209 HydrophobicContact CG2-CE2 3.74Å; I205-F209 WeakPolarHBondContact O-CD2 3.46Å; I205-F209 PolarHBondContact O-N 2.95Å; I205-L275 HydrophobicContact CG1-CD1 4.41Å; I205-L275 HydrophobicContact CG1-CD2 3.93Å
206H87Confident77.2Confident108 Ų10874 Ų7450%0.539%0.392SS..Hα-helixtrans-55.3-38.5176.3171.4-93.8000113M202 A203 F209 K210M202-H206 PolarHBondContact O-N 3.49Å; A203-H206 WeakPolarHBondContact O-CB 3.5Å; A203-H206 PolarHBondContact O-N 2.99Å; H206-F209 WeakPolarHBondContact O-CB 3.37Å; H206-F209 PolarHBondContact O-N 3.43Å; H206-K210 WeakPolarHBondContact CE1-CE 3.26Å
207E86.6Confident74.6Confident100 Ų10077.4 Ų77.447%0.46740%0.403SS..Hα-helixtrans-66.4-39.5176.5-61.1-52.4110.800112.2A203 A204 I205 F209 K210A203-E207 PolarHBondContact O-N 3.34Å; A203-E207 VanDerWaalsContact O-N 3.09Å; A204-E207 PolarHBondContact O-N 2.71Å; I205-E207 VanDerWaalsContact C-N 3.27Å; I205-E207 PolarHBondContact O-N 3.14Å; E207-F209 VanDerWaalsContact C-N 3.25Å; E207-F209 PolarHBondContact O-N 3.47Å; E207-K210 WeakPolarHBondContact O-CB 3.4Å; E207-K210 PolarHBondContact O-N 2.84Å; E207-K210 VanDerWaalsContact O-N 3.09Å; E207-K210 WeakPolarHBondContact OE1-CE 3.11Å; E207-K210 IonicContact OE1-NZ 2.75Å; E207-K210 PolarHBondContact OE1-NZ 2.59Å; E207-K210 WeakPolarHBondContact OE2-CE 3.38Å; E207-K210 IonicContact OE2-NZ 3.44Å; E207-K210 PolarHBondContact OE2-NZ 2.99Å
208S79.5Confident72.2Confident15 Ų1577.9 Ų77.911%0.10542%0.416CS..Hα-helixtrans-65-26.2175.176.40000114.2A204 I205 K210 L275A204-S208 PolarHBondContact O-N 3.29Å; I205-S208 PolarHBondContact O-N 3.29Å; I205-S208 VanDerWaalsContact O-N 3.08Å; I205-S208 PolarHBondContact O-OG 3.14Å; S208-K210 VanDerWaalsContact C-N 3.33Å; S208-L275 VanDerWaalsContact CB-CD1 3.42Å; S208-L275 VanDerWaalsContact OG-CD1 3.31Å; S208-L275 WeakPolarHBondContact OG-CD1 3.49Å
209F78.4Confident69.7Low98 Ų9882.4 Ų82.443%0.4344%0.444SS..Hα-helixtrans-67.2-30173.1-93.7-85.3000112.3I65 I205 H206 E207 G211 C212I65-F209 HydrophobicContact CD1-CD1 4.33Å; I65-F209 HydrophobicContact CG2-CD1 4.22Å; I65-F209 HydrophobicContact CG2-CD2 4.07Å; I65-F209 HydrophobicContact CG2-CE1 3.63Å; I65-F209 HydrophobicContact CG2-CE2 3.44Å; I65-F209 VanDerWaalsContact CG2-CE2 3.44Å; I65-F209 HydrophobicContact CG2-CG 4.44Å; I65-F209 HydrophobicContact CG2-CZ 3.2Å; I205-F209 HydrophobicContact CG2-CD2 3.89Å; I205-F209 HydrophobicContact CG2-CE2 3.74Å; I205-F209 WeakPolarHBondContact O-CD2 3.46Å; I205-F209 PolarHBondContact O-N 2.95Å; H206-F209 WeakPolarHBondContact O-CB 3.37Å; H206-F209 PolarHBondContact O-N 3.43Å; E207-F209 VanDerWaalsContact C-N 3.25Å; E207-F209 PolarHBondContact O-N 3.47Å; F209-G211 VanDerWaalsContact C-N 3.33Å; F209-G211 PolarHBondContact O-N 2.83Å; F209-C212 VanDerWaalsContact O-CB 3.25Å; F209-C212 WeakPolarHBondContact O-CB 3.25Å; F209-C212 PolarHBondContact O-N 3.29Å; F209-C212 PolarHBondContact O-SG 2.93Å
210K75.2Confident66.9Low115 Ų11582.7 Ų82.750%0.545%0.451SS..Hα-helixtrans-60.7-38-171.1-70.8-177.3-178.5169.70113.8H206 E207 S208 C212H206-K210 WeakPolarHBondContact CE1-CE 3.26Å; E207-K210 WeakPolarHBondContact O-CB 3.4Å; E207-K210 PolarHBondContact O-N 2.84Å; E207-K210 VanDerWaalsContact O-N 3.09Å; E207-K210 WeakPolarHBondContact OE1-CE 3.11Å; E207-K210 IonicContact OE1-NZ 2.75Å; E207-K210 PolarHBondContact OE1-NZ 2.59Å; E207-K210 WeakPolarHBondContact OE2-CE 3.38Å; E207-K210 IonicContact OE2-NZ 3.44Å; E207-K210 PolarHBondContact OE2-NZ 2.99Å; S208-K210 VanDerWaalsContact C-N 3.33Å; K210-C212 PolarHBondContact O-N 3.45Å
211G63.1Low64.5Low30 Ų3086.2 Ų86.231%0.30947%0.465SS..G310 helixtrans-65.3-15.5177.600000114.4R61 F209 Q213R61-G211 PolarHBondContact NH1-O 2.85Å; R61-G211 VanDerWaalsContact NH2-C 3.28Å; R61-G211 VanDerWaalsContact NH2-CA 3.35Å; F209-G211 VanDerWaalsContact C-N 3.33Å; F209-G211 PolarHBondContact O-N 2.83Å; G211-Q213 VanDerWaalsContact C-N 3.3Å; G211-Q213 PolarHBondContact O-N 3.43Å
212C53.8Low62Low39 Ų3993.5 Ų93.526%0.26450%0.504SS..G310 helixtrans-65.6-31.6-178.1-56.30000113.1R61 I65 F209 K210 H214R61-C212 PolarHBondContact NE-SG 2.89Å; I65-C212 WeakPolarHBondContact CD1-SG 3.41Å; F209-C212 VanDerWaalsContact O-CB 3.25Å; F209-C212 WeakPolarHBondContact O-CB 3.25Å; F209-C212 PolarHBondContact O-N 3.29Å; F209-C212 PolarHBondContact O-SG 2.93Å; K210-C212 PolarHBondContact O-N 3.45Å; C212-H214 VanDerWaalsContact C-N 3.33Å; C212-H214 PolarHBondContact O-N 3.5Å
213Q49.7Very low59.6Low167 Ų16794.9 Ų94.978%0.7852%0.521SS*.G310 helixtrans-77.4-12.1-167.8-67.3-173.1-2.100114.7G211G211-Q213 VanDerWaalsContact C-N 3.3Å; G211-Q213 PolarHBondContact O-N 3.43Å
214H47.6Very low57Low139 Ų13998.6 Ų98.664%0.64454%0.539SS*.G310 helixtrans-83.5-24.7-175.3-149.361000113.8C212C212-H214 VanDerWaalsContact C-N 3.33Å; C212-H214 PolarHBondContact O-N 3.5Å
215N46.1Very low54.5Low89 Ų89105 Ų10548%0.47657%0.571SS.*THydrogen-bonded Turntrans-87.1-16.3-165.9-69.1-11.6000115
216E37.1Very low51.9Low164 Ų164114.9 Ų114.977%0.76661%0.613SS**THydrogen-bonded Turntrans-90.7-19.3-176.7-63.5-169.5148.500114.3
217V40.9Very low49.1Very low115 Ų115116.2 Ų116.270%0.69762%0.624SS**THydrogen-bonded Turntrans-84.9-33.7-178.7-178.20000112
218S42.3Very low46.4Very low85 Ų85119.6 Ų119.659%0.59464%0.642SS**SBendtrans-75-25-172.9-62.10000114.1
219T40.9Very low44Very low111 Ų111126.2 Ų126.268%0.68167%0.671SS**SBendtrans-85.4-16.5-178.845.70000113.7K221T219-K221 VanDerWaalsContact C-N 3.33Å; T219-K221 PolarHBondContact O-N 3.26Å
220A37.8Very low41.6Very low84 Ų84128.6 Ų128.669%0.69468%0.682SS**THydrogen-bonded Turntrans-81.4-4.1-175.200000115
221K40.7Very low39.4Very low194 Ų194131.9 Ų131.984%0.84370%0.696SS**THydrogen-bonded Turntrans-106.6-7.7-167.1-155.8170.2-176.7-179.50115.7T219T219-K221 VanDerWaalsContact C-N 3.33Å; T219-K221 PolarHBondContact O-N 3.26Å
222D38.8Very low37.7Very low155 Ų155137.5 Ų137.583%0.82972%0.717SS**SBendtrans-111.735.6-171.4-151.820.1000112.8
223S39.6Very low36.4Very low111 Ų111140.8 Ų140.878%0.77674%0.741SS**SBendtrans-14826.9-175.1-73.30000115.4
224T37.8Very low35.3Very low126 Ų126139.6 Ų139.677%0.77374%0.735SS**  trans-143.393.2165.7-46.80000111
225D33.5Very low34.2Very low157 Ų157141.7 Ų141.784%0.8474%0.737SS**  trans-175.4109.3132.5-104.1-21.6000112.4
226K34.5Very low33.4Very low210 Ų210144 Ų14491%0.91375%0.745SS**  trans-143.9109158.3-77.7-166.3178.1175.30111.3
227N27.8Very low32.8Very low136 Ų136142 Ų14273%0.72774%0.744SS**  trans74.1105.3145.2-169.141.3000119.2
228M29.6Very low32.1Very low172 Ų172144.2 Ų144.285%0.84775%0.747SS**  -169.5165.1105.9-99-167.2-175.400113.5
229E28.6Very low31.4Very low153 Ų153146.2 Ų146.272%0.71575%0.747SS**  trans-76.9177.2-178.9-44.4167.984.400112.5
230K28.4Very low30.8Very low148 Ų148150.7 Ų150.764%0.64375%0.752SS**  cis-176.3146.240.4-140171.3-167.674.80112
231K28.1Very low30.3Very low185 Ų185156.6 Ų156.680%0.80476%0.756SS**  trans28.9140.1143.5-70.8-173.6174.1-170.80120.4
232I28.3Very low29.7Very low148 Ų148151.8 Ų151.876%0.75974%0.739SS**  cis-1611708.4-138.4166.6000108.7
233S25.6Very low29.2Very low107 Ų107152.3 Ų152.375%0.74874%0.737SS**  -173.7-174.478.271.40000116.1
234E27Very low28.7Very low142 Ų142152.9 Ų152.966%0.66474%0.736SS**  trans-74.3171.1169.9-51.9167.7-152.500112.5
235R25.3Very low28.4Very low183 Ų183152.8 Ų152.869%0.69174%0.735SS**  cis-160.1158.518.8-154.3162.2175.9122.89.3116.2
236E27.8Very low28.1Very low139 Ų139152.5 Ų152.565%0.6573%0.733SS**  trans-12.2152.5162.5-57.4153.1158.800119.1
237T25.1Very low28.1Very low120 Ų120150.4 Ų150.474%0.73673%0.727SS**  cis-169156.848.2-17.50000112.7
238E26.6Very low28.3Very low162 Ų162152 Ų15276%0.75773%0.73SS**  trans20.5156.5148.6-95.656.9-155.400123.8
239E27.5Very low28.4Very low128 Ų128151.2 Ų151.260%0.59873%0.729SS**  cis-158.5149.120.9-131.3-156.4163.900113.2
240R28.7Very low28.7Very low205 Ų205150.9 Ų150.977%0.77473%0.73SS**  trans66.6150.1154.9-62.2-179.1-168.7-17416.6119
241R26.8Very low28.6Very low208 Ų208149.5 Ų149.579%0.78574%0.739SS**  cis-156137.58.1-162.5168.2174.5174.5-1.3114.5
242N27.6Very low28.8Very low93 Ų93148.4 Ų148.450%0.49774%0.741SS.*  trans57.7118.9152.3-69.336000121.2
243E28.4Very low28.7Very low165 Ų165145.1 Ų145.177%0.77174%0.744SS**  95.4142.393.5-75.8165.6174.800113.2
244T29.7Very low29.4Very low124 Ų124148.7 Ų148.776%0.76175%0.748SS**  cis-133.8169.813.146.80000114.9
245T30.8Very low29.7Very low124 Ų124151.2 Ų151.276%0.76176%0.76SS**  trans-41.4160.3163.643.30000115.6
246N29.1Very low30.2Very low150 Ų150150.5 Ų150.580%0.80277%0.765SS**  cis-158.6157.145-160.435.9000115.5
247E34.4Very low30.3Very low166 Ų166153.1 Ų153.178%0.77677%0.774SS**  trans-98.2155.9171.7-58.3179.2173.600111.5
248Q31.4Very low30.7Very low171 Ų171151.7 Ų151.780%0.79977%0.769SS**  -174.1135.3121.2-107.8-176.4-29.500116.5
249L31.3Very low31.2Very low155 Ų155150.8 Ų150.881%0.81277%0.765SS**  trans72.5138.3146.2-106.4129000122.2
250I35.3Very low31.5Very low146 Ų146151.3 Ų151.375%0.74977%0.765SS**  trans-110.9143.6178.7-63.1161.9000108.2L252I250-L252 HydrophobicContact CG2-CD1 3.98Å
251S25.6Very low31.7Very low119 Ų119147.9 Ų147.983%0.83276%0.759SS**  trans-143139.4154.7-166.90000110.3
252L33.8Very low32Very low162 Ų162147.2 Ų147.285%0.84876%0.757SS**  trans-86.7141.2175.6-8468.3000110I250I250-L252 HydrophobicContact CG2-CD1 3.98Å
253G26.1Very low32.4Very low79 Ų79149.5 Ų149.581%0.81477%0.765SS**  trans-157.7116.2167.100000108.7
254H38.6Very low32.9Very low181 Ų181147.2 Ų147.284%0.83875%0.754SS**  trans-128.491.3-171.4171.6-62.4000109.5
255E34.6Very low33.4Very low195 Ų195146.9 Ų146.991%0.91175%0.747SS**  trans-16572158.1-80.3-140.3126.200110.3
256E34.7Very low33.8Very low169 Ų169146.8 Ų146.879%0.7974%0.742SS**  trans-147-3173.8-144.4176.8-127.700114.1
257K31.2Very low34.7Very low194 Ų194141.3 Ų141.384%0.84372%0.721SS**THydrogen-bonded Turntrans-89.2-2.6-172.8-150178.5179.9-174.90114.5
258S33.6Very low35.6Very low90 Ų90136 Ų13663%0.62970%0.696SS**THydrogen-bonded Turntrans-97.4-27.5-175.3-166.70000114.3
259E35.4Very low36.7Very low143 Ų143133.9 Ų133.967%0.66869%0.686SS**THydrogen-bonded Turntrans-82-42.7-176.9-65.3-176.5128.900111.2M261 R262 E263E259-M261 PolarHBondContact O-N 2.9Å; E259-M261 VanDerWaalsContact O-N 3.15Å; E259-R262 WeakPolarHBondContact O-CA 3.42Å; E259-R262 WeakPolarHBondContact O-CB 3.38Å; E259-R262 PolarHBondContact O-N 3.41Å; E259-E263 PolarHBondContact O-N 3.43Å; E259-E263 VanDerWaalsContact O-N 3.14Å
260K34.3Very low38.2Very low138 Ų138132 Ų13260%0.668%0.677SS**Hα-helixtrans-58.3-31.7178.6-164.2166-172168.30114.1R262 E264K260-R262 VanDerWaalsContact C-N 3.3Å; K260-E264 PolarHBondContact O-N 3.16Å
261M32.6Very low39.3Very low133 Ų133128.2 Ų128.266%0.65566%0.663SS**Hα-helixtrans-78.6-11.5175.7-160.8179.572.400113.2E259E259-M261 PolarHBondContact O-N 2.9Å; E259-M261 VanDerWaalsContact O-N 3.15Å
262R32.8Very low41.1Very low194 Ų194124.3 Ų124.373%0.73263%0.633SS**Hα-helixtrans-87-44.2169.6-92.2175.5165.7-96.2-0.5111.5E259 K260 E264 L265 D266E259-R262 WeakPolarHBondContact O-CA 3.42Å; E259-R262 WeakPolarHBondContact O-CB 3.38Å; E259-R262 PolarHBondContact O-N 3.41Å; K260-R262 VanDerWaalsContact C-N 3.3Å; R262-E264 VanDerWaalsContact C-N 3.33Å; R262-E264 PolarHBondContact O-N 3.49Å; R262-L265 PolarHBondContact O-N 2.98Å; R262-L265 VanDerWaalsContact O-N 3.14Å; R262-D266 PolarHBondContact O-N 2.82Å; R262-D266 VanDerWaalsContact O-N 3.12Å
263E37.8Very low42.7Very low142 Ų142119.1 Ų119.166%0.66461%0.613SS**Hα-helixtrans-60.7-40.4-179.7-64.2-178.513200112.4E259 L265 D266 G267E259-E263 PolarHBondContact O-N 3.43Å; E259-E263 VanDerWaalsContact O-N 3.14Å; E263-L265 VanDerWaalsContact C-N 3.29Å; E263-L265 PolarHBondContact O-N 3.13Å; E263-D266 PolarHBondContact O-N 2.87Å; E263-G267 PolarHBondContact O-N 3.38Å
264E38.5Very low44.6Very low116 Ų116120.2 Ų120.254%0.54260%0.599SS.*Hα-helixtrans-67.1-25.8176.9-71.8178.5172.900113.3K260 R262 E268K260-E264 PolarHBondContact O-N 3.16Å; R262-E264 VanDerWaalsContact C-N 3.33Å; R262-E264 PolarHBondContact O-N 3.49Å; E264-E268 WeakPolarHBondContact O-CG 3.33Å
265L39.2Very low45.9Very low117 Ų117111.9 Ų111.961%0.61356%0.561SS**Hα-helixtrans-79.7-37.7174.8-81.6168.6000112.5R262 E263 E268 E269R262-L265 PolarHBondContact O-N 2.98Å; R262-L265 VanDerWaalsContact O-N 3.14Å; E263-L265 VanDerWaalsContact C-N 3.29Å; E263-L265 PolarHBondContact O-N 3.13Å; L265-E268 PolarHBondContact O-N 3.04Å; L265-E269 PolarHBondContact O-N 2.98Å
266D39.8Very low47.4Very low123 Ų123106.8 Ų106.866%0.65854%0.54SS*.Hα-helixtrans-63.3-49.3-179.8-136.134.3000110.5R262 E263 E268 E269 D270R262-D266 PolarHBondContact O-N 2.82Å; R262-D266 VanDerWaalsContact O-N 3.12Å; E263-D266 PolarHBondContact O-N 2.87Å; D266-E268 VanDerWaalsContact C-N 3.26Å; D266-E268 PolarHBondContact O-N 3.32Å; D266-E269 PolarHBondContact O-N 2.99Å; D266-E269 VanDerWaalsContact O-N 3.17Å; D266-D270 PolarHBondContact O-N 2.95Å; D266-D270 VanDerWaalsContact O-N 3.13Å
267G48.9Very low49.3Very low35 Ų35105.7 Ų105.736%0.36154%0.535SS..Hα-helixtrans-65.3-22.5177.800000114.8E263 S271E263-G267 PolarHBondContact O-N 3.38Å; G267-S271 WeakPolarHBondContact O-CB 3.13Å; G267-S271 PolarHBondContact O-N 2.87Å; G267-S271 PolarHBondContact O-OG 3.33Å
268E51.4Low51.1Low55 Ų5598.7 Ų98.726%0.25751%0.507SS..Hα-helixtrans-80.7-30174-75.7-162.3159.400113.3R61 E264 L265 D266 L272R61-E268 VanDerWaalsContact CZ-CD 3.44Å; R61-E268 IonicContact CZ-OE1 2.89Å; R61-E268 IonicContact CZ-OE2 2.7Å; R61-E268 VanDerWaalsContact CZ-OE2 3.26Å; R61-E268 IonicContact NH1-OE1 3.13Å; R61-E268 PolarHBondContact NH1-OE1 3.33Å; R61-E268 IonicContact NH1-OE2 2.73Å; R61-E268 PolarHBondContact NH1-OE2 2.96Å; R61-E268 VanDerWaalsContact NH2-CD 3.3Å; R61-E268 IonicContact NH2-OE1 2.66Å; R61-E268 PolarHBondContact NH2-OE1 3.47Å; R61-E268 IonicContact NH2-OE2 3.58Å; E264-E268 WeakPolarHBondContact O-CG 3.33Å; L265-E268 PolarHBondContact O-N 3.04Å; D266-E268 VanDerWaalsContact C-N 3.26Å; D266-E268 PolarHBondContact O-N 3.32Å; E268-L272 WeakPolarHBondContact O-CD1 3.43Å; E268-L272 WeakPolarHBondContact O-CG 3.29Å; E268-L272 PolarHBondContact O-N 2.76Å
269E54.9Low52.6Low126 Ų12694.7 Ų94.759%0.58948%0.478SS*.Hα-helixtrans-67.6-47.5169.9-169.9105.6-150.700109.9L265 D266 S271 L272 A273L265-E269 PolarHBondContact O-N 2.98Å; D266-E269 PolarHBondContact O-N 2.99Å; D266-E269 VanDerWaalsContact O-N 3.17Å; E269-S271 PolarHBondContact O-N 3.19Å; E269-L272 CarbonylContact O-C 3.6Å; E269-L272 PolarHBondContact O-N 3.33Å; E269-L272 VanDerWaalsContact O-N 3.09Å; E269-A273 PolarHBondContact O-N 2.79Å
270D62.3Low53.8Low116 Ų11690.1 Ų90.162%0.6247%0.469SS*.Hα-helixtrans-58.1-43.6175-94.7-3.7000112.6D266 L272 A273 L274D266-D270 PolarHBondContact O-N 2.95Å; D266-D270 VanDerWaalsContact O-N 3.13Å; D270-L272 PolarHBondContact O-N 3Å; D270-A273 PolarHBondContact O-N 3.42Å; D270-L274 VanDerWaalsContact O-CB 3.31Å; D270-L274 WeakPolarHBondContact O-CB 3.48Å; D270-L274 PolarHBondContact O-N 2.98Å
271S59.4Low54.9Low66 Ų6686.8 Ų86.846%0.46247%0.474SS..Hα-helixtrans-59.3-32.4176.7-65.80000112.9G267 E269 L275G267-S271 WeakPolarHBondContact O-CB 3.13Å; G267-S271 PolarHBondContact O-N 2.87Å; G267-S271 PolarHBondContact O-OG 3.33Å; E269-S271 PolarHBondContact O-N 3.19Å; S271-L275 PolarHBondContact O-N 3.42Å
272L63.8Low56Low37 Ų3782.5 Ų82.519%0.19445%0.453CS..Hα-helixtrans-86.5-29.8177.8-71.4166000112.5K64 E268 E269 D270 L275 N276K64-L272 HydrophobicContact CB-CD1 4.46Å; K64-L272 HydrophobicContact CD-CD1 3.65Å; E268-L272 WeakPolarHBondContact O-CD1 3.43Å; E268-L272 WeakPolarHBondContact O-CG 3.29Å; E268-L272 PolarHBondContact O-N 2.76Å; E269-L272 CarbonylContact O-C 3.6Å; E269-L272 PolarHBondContact O-N 3.33Å; E269-L272 VanDerWaalsContact O-N 3.09Å; D270-L272 PolarHBondContact O-N 3Å; L272-L275 HydrophobicContact CD2-CD1 4.39Å; L272-N276 WeakPolarHBondContact O-CB 3.34Å; L272-N276 PolarHBondContact O-N 2.84Å
273A66.8Low56.8Low52 Ų5276.5 Ų76.543%0.4343%0.432SS..Hα-helixtrans-65-47.5170.600000111.1E269 D270 L275 N276 E277E269-A273 PolarHBondContact O-N 2.79Å; D270-A273 PolarHBondContact O-N 3.42Å; A273-L275 VanDerWaalsContact C-N 3.31Å; A273-L275 PolarHBondContact O-N 3.18Å; A273-N276 CarbonylContact O-C 3.51Å; A273-N276 WeakPolarHBondContact O-CA 3.45Å; A273-N276 WeakPolarHBondContact O-CB 3.36Å; A273-N276 PolarHBondContact O-N 3.33Å; A273-E277 PolarHBondContact O-N 2.99Å
274L65.4Low57.2Low102 Ų10275 Ų7553%0.53443%0.433SS..Hα-helixtrans-61.8-37176.5-171.1152.2000111.7D270 E277 I278D270-L274 VanDerWaalsContact O-CB 3.31Å; D270-L274 WeakPolarHBondContact O-CB 3.48Å; D270-L274 PolarHBondContact O-N 2.98Å; L274-E277 PolarHBondContact O-N 3.35Å; L274-I278 HydrophobicContact CD2-CD1 3.6Å; L274-I278 HydrophobicContact CD2-CG1 4.31Å; L274-I278 WeakPolarHBondContact O-CG1 3.38Å; L274-I278 PolarHBondContact O-N 3.03Å
275L66.8Low57.3Low7 Ų775 Ų754%0.03744%0.437CS..Hα-helixtrans-62.9-40.3169.3-99.6-177.4000113.2A204 I205 S208 S271 L272 A273 E277 L279A204-L275 HydrophobicContact CB-CD2 3.7Å; I205-L275 HydrophobicContact CG1-CD1 4.41Å; I205-L275 HydrophobicContact CG1-CD2 3.93Å; S208-L275 VanDerWaalsContact CB-CD1 3.42Å; S208-L275 VanDerWaalsContact OG-CD1 3.31Å; S208-L275 WeakPolarHBondContact OG-CD1 3.49Å; S271-L275 PolarHBondContact O-N 3.42Å; L272-L275 HydrophobicContact CD2-CD1 4.39Å; A273-L275 VanDerWaalsContact C-N 3.31Å; A273-L275 PolarHBondContact O-N 3.18Å; L275-E277 VanDerWaalsContact C-N 3.32Å; L275-L279 WeakPolarHBondContact O-CB 3.34Å; L275-L279 WeakPolarHBondContact O-CG 3.32Å; L275-L279 PolarHBondContact O-N 3.46Å
276N66.8Low57.3Low87 Ų8775.7 Ų75.747%0.46544%0.441SS..Hα-helixtrans-70.8-29.3178-168.962000112K71 L272 A273 G280K71-N276 PolarHBondContact NZ-OD1 3.3Å; L272-N276 WeakPolarHBondContact O-CB 3.34Å; L272-N276 PolarHBondContact O-N 2.84Å; A273-N276 CarbonylContact O-C 3.51Å; A273-N276 WeakPolarHBondContact O-CA 3.45Å; A273-N276 WeakPolarHBondContact O-CB 3.36Å; A273-N276 PolarHBondContact O-N 3.33Å; N276-G280 WeakPolarHBondContact O-CA 3.22Å; N276-G280 PolarHBondContact O-N 2.85Å
277E74.1Confident57.2Low147 Ų14772.4 Ų72.469%0.68742%0.421SS*.Hα-helixtrans-68.7-50.5170.1-171.9-179.1171.100111.6A273 L274 L275 L279 G280 G281A273-E277 PolarHBondContact O-N 2.99Å; L274-E277 PolarHBondContact O-N 3.35Å; L275-E277 VanDerWaalsContact C-N 3.32Å; E277-L279 VanDerWaalsContact C-N 3.33Å; E277-L279 PolarHBondContact O-N 3.46Å; E277-G280 PolarHBondContact O-N 3.47Å; E277-G280 VanDerWaalsContact O-N 3.11Å; E277-G281 PolarHBondContact O-N 3.03Å
278I67.7Low57.2Low47 Ų4773.1 Ų73.124%0.24142%0.42CS..Hα-helixtrans-56.7-46.1175.7-71.3174000110.9A204 L274 L282A204-I278 HydrophobicContact CB-CD1 4.28Å; L274-I278 HydrophobicContact CD2-CD1 3.6Å; L274-I278 HydrophobicContact CD2-CG1 4.31Å; L274-I278 WeakPolarHBondContact O-CG1 3.38Å; L274-I278 PolarHBondContact O-N 3.03Å; I278-L282 HydrophobicContact CG2-CD1 4.24Å; I278-L282 WeakPolarHBondContact O-CD1 3.28Å; I278-L282 VanDerWaalsContact O-CG 3.22Å; I278-L282 WeakPolarHBondContact O-CG 3.31Å
279L66.1Low56.5Low6 Ų677.3 Ų77.33%0.03144%0.44CS..Hα-helixtrans-69.5-34.4177.1-74.6164.2000112.3A68 K71 A72 T201 L275 E277 F283A68-L279 HydrophobicContact CB-CD1 4.44Å; K71-L279 HydrophobicContact CB-CD1 4.03Å; K71-L279 HydrophobicContact CB-CD2 4.19Å; K71-L279 HydrophobicContact CD-CD1 4.03Å; A72-L279 HydrophobicContact CB-CD2 4.28Å; T201-L279 HydrophobicContact CG2-CD2 3.48Å; T201-L279 VanDerWaalsContact CG2-CD2 3.48Å; L275-L279 WeakPolarHBondContact O-CB 3.34Å; L275-L279 WeakPolarHBondContact O-CG 3.32Å; L275-L279 PolarHBondContact O-N 3.46Å; E277-L279 VanDerWaalsContact C-N 3.33Å; E277-L279 PolarHBondContact O-N 3.46Å; L279-F283 PolarHBondContact O-N 3.09Å
280G60Low55.7Low46 Ų4675.9 Ų75.947%0.47443%0.433SS..Hα-helixtrans-68.4-47.9179.300000112.9N276 E277 L282 F283N276-G280 WeakPolarHBondContact O-CA 3.22Å; N276-G280 PolarHBondContact O-N 2.85Å; E277-G280 PolarHBondContact O-N 3.47Å; E277-G280 VanDerWaalsContact O-N 3.11Å; G280-L282 PolarHBondContact O-N 3.46Å; G280-L282 VanDerWaalsContact O-N 3.15Å; G280-F283 PolarHBondContact O-N 2.86Å
281G58.2Low55Low68 Ų6873.5 Ų73.570%0.70142%0.416SS*.THydrogen-bonded Turntrans-66.8-11.2177.900000114.7E277E277-G281 PolarHBondContact O-N 3.03Å
282L54.9Low54.3Low43 Ų4376.3 Ų76.323%0.22543%0.43CS..THydrogen-bonded Turntrans-97.5-15.5177.6-71.7174.9000113.9F75 I278 G280 V284F75-L282 HydrophobicContact CD2-CB 4.19Å; F75-L282 HydrophobicContact CE1-CD1 4Å; F75-L282 HydrophobicContact CE2-CB 3.68Å; F75-L282 HydrophobicContact CE2-CD2 4.46Å; F75-L282 HydrophobicContact CE2-CG 4.45Å; F75-L282 WeakPolarHBondContact CE2-O 3.23Å; F75-L282 HydrophobicContact CZ-CB 3.87Å; F75-L282 HydrophobicContact CZ-CD1 3.92Å; F75-L282 HydrophobicContact CZ-CD2 4Å; F75-L282 HydrophobicContact CZ-CG 4.15Å; I278-L282 HydrophobicContact CG2-CD1 4.24Å; I278-L282 WeakPolarHBondContact O-CD1 3.28Å; I278-L282 VanDerWaalsContact O-CG 3.22Å; I278-L282 WeakPolarHBondContact O-CG 3.31Å; G280-L282 PolarHBondContact O-N 3.46Å; G280-L282 VanDerWaalsContact O-N 3.15Å; L282-V284 PolarHBondContact O-N 3.01Å
283F50.5Low53.4Low68 Ų6883.4 Ų83.430%0.29846%0.459SS..  trans-89.692.6177.3-102.7-92.1000111.4C74 F75 L279 G280C74-F283 HydrophobicContact CB-CZ 4.07Å; F75-F283 HydrophobicContact CB-CE2 3.93Å; F75-F283 HydrophobicContact CB-CZ 4.47Å; L279-F283 PolarHBondContact O-N 3.09Å; G280-F283 PolarHBondContact O-N 2.86Å
284V46.2Very low51.7Low110 Ų11083.9 Ų83.967%0.66747%0.469SS*.  trans-95.8103.3167.3-1750000108.8L282 D286L282-V284 PolarHBondContact O-N 3.01Å; V284-D286 HydrophobicContact CG1-CB 4Å; V284-D286 PolarHBondContact O-N 3.35Å; V284-D286 VanDerWaalsContact O-N 3.09Å
285D39.7Very low50.3Low117 Ų11783.4 Ų83.463%0.62648%0.475SS*.THydrogen-bonded Turntrans-68.9-9.7-168.6-145.43000114.6F287 S288D285-F287 VanDerWaalsContact C-N 3.26Å; D285-F287 PolarHBondContact O-N 3.34Å; D285-S288 VanDerWaalsContact O-CB 3.29Å; D285-S288 WeakPolarHBondContact O-CB 3.44Å; D285-S288 PolarHBondContact O-N 3.3Å; D285-S288 VanDerWaalsContact O-N 3.11Å; D285-S288 PolarHBondContact O-OG 3.35Å; D285-S288 PolarHBondContact OD1-OG 3.36Å
286D38.6Very low48.5Very low131 Ų13186 Ų8670%0.70150%0.502SS*.THydrogen-bonded Turntrans-52.9-38.6177.9-171.255.2000113.1V284 S288 Q289V284-D286 HydrophobicContact CG1-CB 4Å; V284-D286 PolarHBondContact O-N 3.35Å; V284-D286 VanDerWaalsContact O-N 3.09Å; D286-S288 PolarHBondContact O-N 3.01Å; D286-Q289 PolarHBondContact O-N 3.11Å
287F38.3Very low46.7Very low55 Ų5589.8 Ų89.824%0.24152%0.523CS..Hα-helixtrans-65-26-178.6-165.1-125.1000112.9L81 D285 Q289 E290 W291L81-F287 HydrophobicContact CB-CE1 4.25Å; D285-F287 VanDerWaalsContact C-N 3.26Å; D285-F287 PolarHBondContact O-N 3.34Å; F287-Q289 VanDerWaalsContact C-N 3.26Å; F287-Q289 PolarHBondContact O-N 3.28Å; F287-E290 PolarHBondContact O-N 3.02Å; F287-W291 AromaticContact CD1-NE1 3.87Å; F287-W291 AromaticContact CD2-NE1 3.94Å; F287-W291 AromaticContact CE1-CE2 3.99Å; F287-W291 HydrophobicContact CE1-CZ2 4.23Å; F287-W291 AromaticContact CE1-NE1 3.33Å; F287-W291 VanDerWaalsContact CE1-NE1 3.33Å; F287-W291 AromaticContact CE2-NE1 3.41Å; F287-W291 AromaticContact CZ-CE2 3.76Å; F287-W291 AromaticContact CZ-CZ2 3.86Å; F287-W291 HydrophobicContact CZ-CZ2 3.86Å; F287-W291 AromaticContact CZ-NE1 3.09Å; F287-W291 VanDerWaalsContact O-CD1 3.27Å
288S48.9Very low44.6Very low49 Ų4989.2 Ų89.234%0.34353%0.529SS..Hα-helixtrans-61.1-31.8-178.8-60.50000112.7D285 D286D285-S288 VanDerWaalsContact O-CB 3.29Å; D285-S288 WeakPolarHBondContact O-CB 3.44Å; D285-S288 PolarHBondContact O-N 3.3Å; D285-S288 VanDerWaalsContact O-N 3.11Å; D285-S288 PolarHBondContact O-OG 3.35Å; D285-S288 PolarHBondContact OD1-OG 3.36Å; D286-S288 PolarHBondContact O-N 3.01Å
289Q37.5Very low42.8Very low143 Ų14396.5 Ų96.567%0.66856%0.563SS**Hα-helixtrans-83.6-26.7-175-60.7-165.52700114.2D286 F287 W291D286-Q289 PolarHBondContact O-N 3.11Å; F287-Q289 VanDerWaalsContact C-N 3.26Å; F287-Q289 PolarHBondContact O-N 3.28Å; Q289-W291 PolarHBondContact O-N 3.22Å
290E38.5Very low41.1Very low97 Ų97100.7 Ų100.745%0.45360%0.598SS.*Hα-helixtrans-67-28.7-178.7-159.9-176.5-169.500111.6K85 F287 G294K85-E290 WeakPolarHBondContact CE-OE2 3.44Å; K85-E290 IonicContact NZ-OE1 2.8Å; K85-E290 PolarHBondContact NZ-OE1 3.09Å; K85-E290 IonicContact NZ-OE2 2.65Å; K85-E290 PolarHBondContact NZ-OE2 3.25Å; F287-E290 PolarHBondContact O-N 3.02Å; E290-G294 PolarHBondContact O-N 3.36Å
291W47.3Very low39.8Very low66 Ų66104.4 Ų104.425%0.2562%0.617CS.*Hα-helixtrans-79.2-38.1-176.5-73.870000113.8L81 R84 F287 Q289 K293 G294 S295L81-W291 HydrophobicContact CB-CH2 3.58Å; L81-W291 HydrophobicContact CB-CZ2 3.58Å; L81-W291 HydrophobicContact CD1-CE3 4.35Å; L81-W291 HydrophobicContact CD1-CH2 3.82Å; L81-W291 HydrophobicContact CD1-CZ2 4.14Å; L81-W291 HydrophobicContact CD1-CZ3 3.94Å; L81-W291 HydrophobicContact CD2-CH2 3.65Å; L81-W291 HydrophobicContact CD2-CZ3 3.99Å; L81-W291 HydrophobicContact CG-CH2 3.85Å; L81-W291 HydrophobicContact CG-CZ2 4.27Å; L81-W291 HydrophobicContact CG-CZ3 4.35Å; R84-W291 HydrophobicContact CG-CH2 4.35Å; F287-W291 AromaticContact CD1-NE1 3.87Å; F287-W291 AromaticContact CD2-NE1 3.94Å; F287-W291 AromaticContact CE1-CE2 3.99Å; F287-W291 HydrophobicContact CE1-CZ2 4.23Å; F287-W291 AromaticContact CE1-NE1 3.33Å; F287-W291 VanDerWaalsContact CE1-NE1 3.33Å; F287-W291 AromaticContact CE2-NE1 3.41Å; F287-W291 AromaticContact CZ-CE2 3.76Å; F287-W291 AromaticContact CZ-CZ2 3.86Å; F287-W291 HydrophobicContact CZ-CZ2 3.86Å; F287-W291 AromaticContact CZ-NE1 3.09Å; F287-W291 VanDerWaalsContact O-CD1 3.27Å; Q289-W291 PolarHBondContact O-N 3.22Å; W291-K293 PolarHBondContact O-N 2.79Å; W291-G294 PolarHBondContact O-N 3.19Å; W291-G294 VanDerWaalsContact O-N 3.09Å; W291-S295 PolarHBondContact O-N 3.15Å; W291-S295 PolarHBondContact O-OG 3.2Å
292T44.9Very low38.3Very low125 Ų125105.9 Ų105.977%0.76762%0.623SS**Hα-helixtrans-64.5-23.7174.6-410000111.9
293K43.6Very low36.9Very low185 Ų185109.2 Ų109.280%0.80465%0.649SS**Hα-helixtrans-92.8-22.2170.3-76178.5175171.40114.2W291W291-K293 PolarHBondContact O-N 2.79Å
294G32.5Very low36.6Very low62 Ų62111 Ų11164%0.63967%0.668SS**Hα-helixtrans-81.3-19.3-17700000115.1E290 W291 G296E290-G294 PolarHBondContact O-N 3.36Å; W291-G294 PolarHBondContact O-N 3.19Å; W291-G294 VanDerWaalsContact O-N 3.09Å; G294-G296 VanDerWaalsContact C-N 3.32Å; G294-G296 PolarHBondContact O-N 2.96Å
295S35.6Very low35.6Very low93 Ų93110.8 Ų110.865%0.6567%0.671SS**  trans-8968.3175.3-53.70000110.5W291 D297W291-S295 PolarHBondContact O-N 3.15Å; W291-S295 PolarHBondContact O-OG 3.2Å; S295-D297 PolarHBondContact O-N 3.36Å
296G28.3Very low34.9Very low60 Ų60112.9 Ų112.962%0.61968%0.683SS**  trans-83.480.8-176.400000113.8G294G294-G296 VanDerWaalsContact C-N 3.32Å; G294-G296 PolarHBondContact O-N 2.96Å
297D28.7Very low34.6Very low168 Ų168112.7 Ų112.790%0.89869%0.686SS**  trans-69.4133.2159.5-74.5-40.4000109.5S295S295-D297 PolarHBondContact O-N 3.36Å
298T31.6Very low34.1Very low134 Ų134119.1 Ų119.182%0.82272%0.717SS**  trans-116.3100.8-171.7-59.70000110.9
299E29.6Very low33.4Very low200 Ų200126.2 Ų126.294%0.93575%0.745SS**  trans-138.5167.4154.2-76.4-146.7143.400110.1
300A30.3Very low32.9Very low95 Ų95128.6 Ų128.679%0.78576%0.756SS**  trans-129.1137.9-155.300000115.7
301S31.3Very low32.3Very low124 Ų124132.9 Ų132.987%0.86778%0.776SS**  trans79155.6149-154.10000119.7
302A28.1Very low31.6Very low99 Ų99137.8 Ų137.882%0.81881%0.807SS**  trans72.9155.2169.100000119
303S25.4Very low31.1Very low112 Ų112136.9 Ų136.978%0.78381%0.806SS**  trans-163.2179.3-170.366.50000108.4
304P43.2Very low30.9Very low107 Ų107136.5 Ų136.570%0.69580%0.804SS**  cis-122.2-170.9-22.237.1-21000111.9
305S25.8Very low31.6Very low105 Ų105140.1 Ų140.173%0.73480%0.803SS**  trans56.8119.7157.554.50000119.7
306D25.1Very low32.7Very low161 Ų161139.5 Ų139.586%0.86179%0.792SS**  -150169.599.1-141.1-26.6000111.7
307T31.4Very low33.4Very low126 Ų126141.9 Ų141.977%0.77380%0.796SS**  trans-110.9113.6-173.1-530000112.1
308Q28.2Very low34Very low190 Ų190137.7 Ų137.789%0.88878%0.78SS**  trans-135.1139.9164.1-70.6-165.4-12.700111.9
309Q34Very low35Very low198 Ų198135.5 Ų135.593%0.92576%0.761SS**  trans-82.2132.5173.5-61.3166.9-69.400108.9
310Q27Very low36Very low194 Ų194131.7 Ų131.791%0.90775%0.746SS**  trans-143.2147162.5-137.3168.811.300109.8
311E27.1Very low37Very low186 Ų186133 Ų13387%0.86974%0.739SS**  trans-79.3150.1-161.2-60.5178.1122.500113.1S313E311-S313 PolarHBondContact O-N 3.14Å
312N32.8Very low37.7Very low170 Ų170131.9 Ų131.991%0.90972%0.723SS**  trans-69.286.2-177.8-78.5-26.5000112.5F314N312-F314 PolarHBondContact O-N 3Å
313S33.3Very low38.6Very low105 Ų105132.9 Ų132.973%0.73471%0.711SS**  trans-74103.4162.254.40000109.8E311 F315E311-S313 PolarHBondContact O-N 3.14Å; S313-F315 PolarHBondContact O-N 3Å
314F40.3Very low39.5Very low177 Ų177133.6 Ų133.678%0.77671%0.706SS**  trans-64.6107.4-176.7-166.5-95.2000111N312 L316N312-F314 PolarHBondContact O-N 3Å; F314-L316 HydrophobicContact CD1-CD2 3.78Å; F314-L316 HydrophobicContact CD1-CG 4.17Å; F314-L316 HydrophobicContact CE1-CD2 3.71Å; F314-L316 PolarHBondContact O-N 3.28Å
315F46Very low39.7Very low138 Ų138133.9 Ų133.961%0.60570%0.701SS**  trans-78.4110.1-170.8-149.7-90.7000111.3S313S313-F315 PolarHBondContact O-N 3Å
316L58.6Low40.4Very low81 Ų81135.6 Ų135.642%0.42470%0.702SS.*  trans-95135.7-178.4-70.9174.4000111.5F314 S318 Q319F314-L316 HydrophobicContact CD1-CD2 3.78Å; F314-L316 HydrophobicContact CD1-CG 4.17Å; F314-L316 HydrophobicContact CE1-CD2 3.71Å; F314-L316 PolarHBondContact O-N 3.28Å; L316-S318 PolarHBondContact O-N 2.73Å; L316-Q319 WeakPolarHBondContact O-CB 3.44Å; L316-Q319 PolarHBondContact O-N 2.7Å
317P43.2Very low41Very low110 Ų110136.4 Ų136.471%0.71470%0.698SS**THydrogen-bonded Turntrans-55.7-21.1-179.5-29.336.1000115.9Q319 L320P317-Q319 VanDerWaalsContact C-N 3.3Å; P317-Q319 PolarHBondContact O-N 3.08Å; P317-L320 WeakPolarHBondContact O-CB 3.31Å; P317-L320 PolarHBondContact O-N 3.15Å
318S41.1Very low41.2Very low79 Ų79135 Ų13555%0.55269%0.693SS**THydrogen-bonded Turntrans-61.4-33.9173.845.20000113.4L316 L320 L321L316-S318 PolarHBondContact O-N 2.73Å; S318-L320 PolarHBondContact O-N 2.64Å; S318-L320 VanDerWaalsContact O-N 3.16Å; S318-L321 PolarHBondContact O-N 3.38Å; S318-L321 VanDerWaalsContact O-N 3.14Å
319Q53.8Low41.5Very low89 Ų89131.4 Ų131.442%0.41669%0.689SS.*Hα-helixtrans-67.5-15.9-178.5-64.5178.2-13.100113.2L316 P317L316-Q319 WeakPolarHBondContact O-CB 3.44Å; L316-Q319 PolarHBondContact O-N 2.7Å; P317-Q319 VanDerWaalsContact C-N 3.3Å; P317-Q319 PolarHBondContact O-N 3.08Å
320L49.1Very low41.4Very low120 Ų120126.8 Ų126.863%0.62869%0.685SS**Hα-helixtrans-76.8-22176.8-125.1169.4000112.6P317 S318P317-L320 WeakPolarHBondContact O-CB 3.31Å; P317-L320 PolarHBondContact O-N 3.15Å; S318-L320 PolarHBondContact O-N 2.64Å; S318-L320 VanDerWaalsContact O-N 3.16Å
321L52.6Low41.6Very low123 Ų123122.2 Ų122.264%0.64467%0.674SS**Hα-helixtrans-76.4-45179.4-139.776.7000111.6S318 Q323 N324 L325S318-L321 PolarHBondContact O-N 3.38Å; S318-L321 VanDerWaalsContact O-N 3.14Å; L321-Q323 VanDerWaalsContact C-N 3.31Å; L321-Q323 PolarHBondContact O-N 3.29Å; L321-N324 WeakPolarHBondContact O-CB 3.44Å; L321-N324 PolarHBondContact O-N 3.18Å; L321-L325 PolarHBondContact O-N 3.42Å
322D44.8Very low41.8Very low99 Ų99120.8 Ų120.853%0.52967%0.672SS.*Hα-helixtrans-65.8-31.3-177.5-68.7-28.2000113N324 N326D322-N324 VanDerWaalsContact C-N 3.26Å; D322-N324 PolarHBondContact O-N 3.41Å; D322-N326 PolarHBondContact O-N 3.35Å; D322-N326 PolarHBondContact O-ND2 3.41Å
323Q48.1Very low41.6Very low121 Ų121124.1 Ų124.157%0.56567%0.672SS**Hα-helixtrans-71.5-20.4174.9-67.3-167.525.500113.5L321L321-Q323 VanDerWaalsContact C-N 3.31Å; L321-Q323 PolarHBondContact O-N 3.29Å
324N45Very low41.4Very low127 Ų127126 Ų12668%0.67968%0.68SS**Hα-helixtrans-87.7-40.3179.3-155.25.6000111L321 D322 N326 K327L321-N324 WeakPolarHBondContact O-CB 3.44Å; L321-N324 PolarHBondContact O-N 3.18Å; D322-N324 VanDerWaalsContact C-N 3.26Å; D322-N324 PolarHBondContact O-N 3.41Å; N324-N326 PolarHBondContact O-N 3.03Å; N324-K327 PolarHBondContact O-N 3.19Å
325L46.1Very low40.8Very low113 Ų113121.2 Ų121.259%0.59268%0.68SS**Hα-helixtrans-65.4-34.7175.4-78.7158.7000113.2L321 K327 S328L321-L325 PolarHBondContact O-N 3.42Å; L325-K327 PolarHBondContact O-N 2.73Å; L325-S328 PolarHBondContact O-OG 3.31Å
326N41.5Very low40Very low140 Ų140122.6 Ų122.675%0.74969%0.692SS**THydrogen-bonded Turntrans-79.68.7179.2-74.5-62.9000114.9D322 N324D322-N326 PolarHBondContact O-N 3.35Å; D322-N326 PolarHBondContact O-ND2 3.41Å; N324-N326 PolarHBondContact O-N 3.03Å
327K37.7Very low38.8Very low178 Ų178125 Ų12577%0.77471%0.71SS**THydrogen-bonded Turntrans-114.51.9175.3-75.6-176.2177.1175.50114.7N324 L325 S329N324-K327 PolarHBondContact O-N 3.19Å; L325-K327 PolarHBondContact O-N 2.73Å; K327-S329 PolarHBondContact O-N 3.09Å
328S34.6Very low38.4Very low96 Ų96125.2 Ų125.267%0.67171%0.712SS**  trans-99.172.6175.157.80000112.2L325L325-S328 PolarHBondContact O-OG 3.31Å
329S34.9Very low37.7Very low116 Ų116128.4 Ų128.481%0.81172%0.718SS**  trans-152136.9166.2-158.90000111.2K327K327-S329 PolarHBondContact O-N 3.09Å
330A31.3Very low36.4Very low100 Ų100131.9 Ų131.983%0.82674%0.738SS**  trans59.5132.7-162.300000114.1
331S32.3Very low35.2Very low98 Ų98132 Ų13269%0.68574%0.74SS**  cis-145.9144.716.550.60000113.6
332D30.6Very low34Very low156 Ų156134.4 Ų134.483%0.83475%0.752SS**  trans-75.2134176.3-51.3-90.2000112.8
333W28.9Very low33.1Very low240 Ų240134.7 Ų134.791%0.90976%0.762SS**  trans-147.467.2170-92.391.3000112.9
334T27.9Very low32.5Very low146 Ų146135.2 Ų135.290%0.89678%0.776SS**  trans-138.9109.316245.70000111.8
335G29.2Very low31.5Very low76 Ų76132.1 Ų132.178%0.78477%0.774SS**  trans127108.2165.100000115
336I29.5Very low30.6Very low166 Ų166133.1 Ų133.185%0.85179%0.791SS**  trans-159.2137.2144.9-102.1152.9000107.4
337V33.2Very low29.9Very low131 Ų131129.6 Ų129.679%0.79479%0.787SS**  trans-110.1128.6174.3172.80000108.2Q339V337-Q339 PolarHBondContact O-N 3.3Å
338P33.9Very low29.5Very low116 Ų116130.6 Ų130.675%0.75380%0.795SS**  trans-81.699.9167.2-8.426.5000110.1
339Q26.9Very low29.2Very low145 Ų145133.6 Ų133.668%0.67880%0.803SS**  trans-82.9135.6161.9177.5178.9-16.100108.8V337 D341V337-Q339 PolarHBondContact O-N 3.3Å; Q339-D341 PolarHBondContact NE2-OD1 3.09Å
340L27.2Very low29.7Very low162 Ų162133.3 Ų133.385%0.84880%0.798SS**  trans-124.3117.8159.5-97.591.9000108.9
341D22.9Very low29.6Very low124 Ų124136.6 Ų136.666%0.66380%0.801SS**  trans-78.6146.9167.5-67.4-28.3000110.5Q339Q339-D341 PolarHBondContact NE2-OD1 3.09Å
342L26.4Very low29.6Very low173 Ų173140.4 Ų140.491%0.90681%0.805SS**  trans-166.3104.6146.2-106.4158.5000110.1
343S27.9Very low29.6Very low104 Ų104138.7 Ų138.773%0.72780%0.803SS**  trans-82.9161.9158.8-124.20000109.1
344P34.8Very low29.6Very low132 Ų132131.6 Ų131.686%0.85780%0.795SS**  cis-125.8-175.435.933.9-14.4000113.4
345G23.7Very low29.8Very low63 Ų63131.6 Ų131.665%0.64980%0.795SS**  cis148.4147.8-7.600000112.3
346S27.9Very low29.9Very low134 Ų134136.5 Ų136.594%0.93780%0.795SS**  trans60.5116.4169.41730000120
347G26Very low30.2Very low65 Ų65136.5 Ų136.567%0.6779%0.791SS**  132.9123.2128.500000120.3
348Q29.5Very low29.9Very low200 Ų200137.4 Ų137.494%0.93580%0.797SS**  trans68.5107.8144.1-58-174.3-0.300121.5
349N27.4Very low30Very low159 Ų159138 Ų13885%0.8580%0.804SS**  trans-75.4174.7140.7-92.3-38.9000110.3
350P45.8Very low30.3Very low109 Ų109134 Ų13471%0.70880%0.802SS**  cis-128.1-175.1-8.740.4-25.8000112.9
351L28.9Very low30.7Very low169 Ų169132.7 Ų132.789%0.88580%0.803SS**  -169.8152.2122.3-105.8164.1000113.7
352K32.3Very low31.4Very low178 Ų178132.1 Ų132.177%0.77481%0.809SS**  trans-113.3150173.9-159.3179.2-169177.80107.5
353P30.6Very low32.5Very low121 Ų121132.7 Ų132.779%0.78680%0.804SS**  -134.3161.3129.536.7-27.9000112.8
354A30.9Very low33.4Very low91 Ų91133.6 Ų133.675%0.75280%0.8SS**  trans-120.2147168.600000109
355V30.6Very low34.4Very low146 Ų146131.5 Ų131.589%0.88578%0.781SS**  trans-131.5148.5174.5-179.50000108.3
356K32Very low35.9Very low179 Ų179130.9 Ų130.978%0.77877%0.767SS**  trans-87.7147.6-171.5-78.8-170.4170.1-164.50114.5
357E35.4Very low37.2Very low166 Ų166128.1 Ų128.178%0.77675%0.753SS**  trans10.3129.1140.9-55.8167.4126.300119.6
358T27Very low38.5Very low150 Ų150128.4 Ų128.492%0.9273%0.734SS**  trans-135.7137.5135.242.70000109
359S36.8Very low39.5Very low129 Ų129122.5 Ų122.590%0.90271%0.705SS**  trans-90.8136-172.548.70000113.5
360G32.1Very low40.8Very low61 Ų61120 Ų12063%0.62969%0.691SS**  trans-148.1155.3168.500000109.5S362G360-S362 PolarHBondContact O-N 2.8Å
361P35.9Very low41.4Very low133 Ų133120.6 Ų120.686%0.86469%0.688SS**  trans-69.4104.2-17327.6-34.2000110.9K363P361-K363 PolarHBondContact O-N 2.65Å
362S38.2Very low42.3Very low113 Ų113115.8 Ų115.879%0.7966%0.66SS**  trans-62.2103.9172.453.60000109.6G360 D364G360-S362 PolarHBondContact O-N 2.8Å; S362-D364 PolarHBondContact O-N 2.69Å; S362-D364 VanDerWaalsContact O-N 3.16Å
363K48.8Very low43.3Very low185 Ų185110.2 Ų110.280%0.80465%0.647SS**  trans-54.6121.3164.5-73.2176.2179.8169.70107.3P361 L365P361-K363 PolarHBondContact O-N 2.65Å; K363-L365 VanDerWaalsContact C-N 3.29Å; K363-L365 PolarHBondContact O-N 3.39Å
364D47.4Very low44.1Very low123 Ų123111.4 Ų111.466%0.65865%0.647SS**  trans-73.586.4-172.7-173.19.1000111.2S362 S366S362-D364 PolarHBondContact O-N 2.69Å; S362-D364 VanDerWaalsContact O-N 3.16Å; D364-S366 PolarHBondContact O-N 2.87Å; D364-S366 WeakPolarHBondContact OD1-CB 3.45Å; D364-S366 PolarHBondContact OD1-N 2.86Å; D364-S366 PolarHBondContact OD1-OG 3.11Å; D364-S366 PolarHBondContact OD2-OG 3.23Å
365L55.8Low44.7Very low87 Ų87111 Ų11146%0.45563%0.632SS.*THydrogen-bonded Turntrans-74.1-1.1175.6-70.4167.3000112.2K363 A367 W368 F369K363-L365 VanDerWaalsContact C-N 3.29Å; K363-L365 PolarHBondContact O-N 3.39Å; L365-A367 VanDerWaalsContact C-N 3.29Å; L365-A367 PolarHBondContact O-N 3.5Å; L365-W368 HydrophobicContact CD2-CB 4.32Å; L365-W368 CarbonylContact O-C 3.56Å; L365-W368 WeakPolarHBondContact O-CA 3.42Å; L365-W368 WeakPolarHBondContact O-CB 3.49Å; L365-W368 PolarHBondContact O-N 3.15Å; L365-F369 HydrophobicContact CB-CD2 3.83Å; L365-F369 HydrophobicContact CB-CE2 3.52Å; L365-F369 HydrophobicContact CB-CZ 4.4Å; L365-F369 HydrophobicContact CD1-CE2 4.27Å; L365-F369 WeakPolarHBondContact O-CD2 3.41Å; L365-F369 PolarHBondContact O-N 2.97Å
366S54.5Low45.5Very low51 Ų51106.8 Ų106.836%0.35760%0.604SS.*Hα-helixtrans-58.3-42.2177.270.70000111.5D364 W368 F369 N370D364-S366 PolarHBondContact O-N 2.87Å; D364-S366 WeakPolarHBondContact OD1-CB 3.45Å; D364-S366 PolarHBondContact OD1-N 2.86Å; D364-S366 PolarHBondContact OD1-OG 3.11Å; D364-S366 PolarHBondContact OD2-OG 3.23Å; S366-W368 PolarHBondContact O-N 3.06Å; S366-F369 PolarHBondContact O-N 3.38Å; S366-N370 VanDerWaalsContact O-CB 3.23Å; S366-N370 WeakPolarHBondContact O-CB 3.39Å; S366-N370 PolarHBondContact O-N 2.95Å; S366-N370 PolarHBondContact O-ND2 3.37Å
367A55.3Low46.1Very low76 Ų76102.6 Ų102.663%0.62860%0.595SS**Hα-helixtrans-61.1-25.2174.200000113.4L365L365-A367 VanDerWaalsContact C-N 3.29Å; L365-A367 PolarHBondContact O-N 3.5Å
368W53.3Low46.3Very low71 Ų71102.1 Ų102.127%0.26960%0.597SS.*Hα-helixtrans-86.2-41.5175.5-169.177000112K127 L365 S366 L371 F372K127-W368 HydrophobicContact CG-CZ3 4.41Å; L365-W368 HydrophobicContact CD2-CB 4.32Å; L365-W368 CarbonylContact O-C 3.56Å; L365-W368 WeakPolarHBondContact O-CA 3.42Å; L365-W368 WeakPolarHBondContact O-CB 3.49Å; L365-W368 PolarHBondContact O-N 3.15Å; S366-W368 PolarHBondContact O-N 3.06Å; W368-L371 WeakPolarHBondContact O-CB 3.38Å; W368-L371 PolarHBondContact O-N 2.86Å; W368-F372 AromaticContact CD2-CE2 4Å; W368-F372 HydrophobicContact CD2-CE2 4Å; W368-F372 AromaticContact CE2-CE2 3.83Å; W368-F372 HydrophobicContact CE3-CE2 4.36Å; W368-F372 HydrophobicContact CG-CE2 4.46Å; W368-F372 HydrophobicContact CH2-CE2 4.48Å; W368-F372 HydrophobicContact CZ2-CE2 4.1Å; W368-F372 HydrophobicContact CZ2-CZ 4.5Å; W368-F372 WeakPolarHBondContact O-CD2 3.35Å; W368-F372 VanDerWaalsContact O-CE2 3.32Å; W368-F372 WeakPolarHBondContact O-CE2 3.39Å
369F50.1Low47Very low76 Ų7699.3 Ų99.333%0.33358%0.584SS.*Hα-helixtrans-68.8-38.8176.5-69.2-58.2000112.6L365 S366 L371 F372 A373L365-F369 HydrophobicContact CB-CD2 3.83Å; L365-F369 HydrophobicContact CB-CE2 3.52Å; L365-F369 HydrophobicContact CB-CZ 4.4Å; L365-F369 HydrophobicContact CD1-CE2 4.27Å; L365-F369 WeakPolarHBondContact O-CD2 3.41Å; L365-F369 PolarHBondContact O-N 2.97Å; S366-F369 PolarHBondContact O-N 3.38Å; F369-L371 PolarHBondContact O-N 3.35Å; F369-F372 PolarHBondContact O-N 3.23Å; F369-A373 PolarHBondContact O-N 2.71Å
370N55.4Low47.2Very low105 Ų10597.3 Ų97.356%0.56156%0.563SS**Hα-helixtrans-62.3-26.9177-69.9-14.9000112.3S366 F372 A373S366-N370 VanDerWaalsContact O-CB 3.23Å; S366-N370 WeakPolarHBondContact O-CB 3.39Å; S366-N370 PolarHBondContact O-N 2.95Å; S366-N370 PolarHBondContact O-ND2 3.37Å; N370-F372 PolarHBondContact O-N 2.94Å; N370-A373 PolarHBondContact O-N 3.41Å
371L58.3Low47.8Very low122 Ų12298.8 Ų98.864%0.63956%0.561SS**Hα-helixtrans-64.8-16.3173.7-169.362.7000113.2W368 F369W368-L371 WeakPolarHBondContact O-CB 3.38Å; W368-L371 PolarHBondContact O-N 2.86Å; F369-L371 PolarHBondContact O-N 3.35Å
372F47.9Very low48.1Very low69 Ų6998.6 Ų98.630%0.30355%0.553SS.*Hα-helixtrans-110.3-13-179.6-58.7-70.8000114.3L123 W368 F369 N370 L375L123-F372 HydrophobicContact CD2-CE1 4.35Å; W368-F372 AromaticContact CD2-CE2 4Å; W368-F372 HydrophobicContact CD2-CE2 4Å; W368-F372 AromaticContact CE2-CE2 3.83Å; W368-F372 HydrophobicContact CE3-CE2 4.36Å; W368-F372 HydrophobicContact CG-CE2 4.46Å; W368-F372 HydrophobicContact CH2-CE2 4.48Å; W368-F372 HydrophobicContact CZ2-CE2 4.1Å; W368-F372 HydrophobicContact CZ2-CZ 4.5Å; W368-F372 WeakPolarHBondContact O-CD2 3.35Å; W368-F372 VanDerWaalsContact O-CE2 3.32Å; W368-F372 WeakPolarHBondContact O-CE2 3.39Å; F369-F372 PolarHBondContact O-N 3.23Å; N370-F372 PolarHBondContact O-N 2.94Å; F372-L375 HydrophobicContact CD1-CD1 4.34Å; F372-L375 PolarHBondContact O-N 3.35Å
373A52.3Low48.4Very low61 Ų6196 Ų9650%0.50454%0.539SS..Hα-helixtrans-60.9-48.1-179.600000112.2F369 N370 L375 D376F369-A373 PolarHBondContact O-N 2.71Å; N370-A373 PolarHBondContact O-N 3.41Å; A373-L375 PolarHBondContact O-N 3.09Å; A373-D376 PolarHBondContact O-N 2.86Å
374D47.5Very low48.1Very low146 Ų14694.4 Ų94.478%0.78154%0.537SS*.THydrogen-bonded Turntrans-69.9-1.8-176.8-63.4-12.3000114.7
375L45.1Very low47.7Very low83 Ų8390.7 Ų90.744%0.43553%0.529SS..THydrogen-bonded Turntrans-92.56-178.5-70.7174.6000113.8R120 F372 A373R120-L375 PolarHBondContact NH1-O 2.85Å; F372-L375 HydrophobicContact CD1-CD1 4.34Å; F372-L375 PolarHBondContact O-N 3.35Å; A373-L375 PolarHBondContact O-N 3.09Å
376D47.1Very low46.9Very low57 Ų5792.4 Ų92.431%0.30553%0.534SS..  trans-127.188.7177.5-156.7-26.8000114.9R120 A373 L378 S379R120-D376 IonicContact NH2-OD2 2.68Å; A373-D376 PolarHBondContact O-N 2.86Å; D376-L378 VanDerWaalsContact C-N 3.29Å; D376-L378 PolarHBondContact O-N 3.39Å; D376-L378 PolarHBondContact OD1-N 3.19Å; D376-S379 PolarHBondContact OD1-N 3.12Å; D376-S379 PolarHBondContact OD1-OG 3.38Å; D376-S379 WeakPolarHBondContact OD2-CB 3.31Å; D376-S379 PolarHBondContact OD2-OG 3.24Å
377P43.7Very low46.4Very low91 Ų9193.1 Ų93.159%0.59154%0.543SS*.SBendtrans-90.327171.338.9-36.9000113.1
378L38.9Very low45.5Very low155 Ų15595.5 Ų95.581%0.81255%0.545SS*.SBendtrans-134.3-20.6178.5-72.1176.2000114.4D376D376-L378 VanDerWaalsContact C-N 3.29Å; D376-L378 PolarHBondContact O-N 3.39Å; D376-L378 PolarHBondContact OD1-N 3.19Å
379S42.9Very low45Very low92 Ų92100 Ų10064%0.64356%0.562SS**SBendtrans-86.80.5178.4-60.30000115D376D376-S379 PolarHBondContact OD1-N 3.12Å; D376-S379 PolarHBondContact OD1-OG 3.38Å; D376-S379 WeakPolarHBondContact OD2-CB 3.31Å; D376-S379 PolarHBondContact OD2-OG 3.24Å
380N40.6Very low44.5Very low87 Ų87103.8 Ų103.847%0.46558%0.581SS.*  trans-11897.4175.3-173.6-7.4000110.8D382 A383N380-D382 PolarHBondContact OD1-N 3.13Å; N380-D382 VanDerWaalsContact OD1-N 3.1Å; N380-A383 HydrophobicContact CB-CB 4.25Å; N380-A383 PolarHBondContact OD1-N 3.15Å
381P44.7Very low43.9Very low91 Ų91104.4 Ų104.459%0.59158%0.584SS**SBendtrans-71.6-27.4177.929.3-34.2000113A383 I384P381-A383 VanDerWaalsContact C-N 3.3Å; P381-A383 PolarHBondContact O-N 3.35Å; P381-I384 WeakPolarHBondContact O-CB 3.33Å; P381-I384 WeakPolarHBondContact O-CG1 3.42Å; P381-I384 PolarHBondContact O-N 3.05Å
382D42.8Very low43Very low129 Ų129105.7 Ų105.769%0.6959%0.587SS**G310 helixtrans-72.9-25.6-176.3-59.8-39.8000112.2N380 I384 G385N380-D382 PolarHBondContact OD1-N 3.13Å; N380-D382 VanDerWaalsContact OD1-N 3.1Å; D382-I384 PolarHBondContact O-N 3.17Å; D382-G385 PolarHBondContact O-N 3.25Å
383A44.2Very low42.6Very low60 Ų60109.5 Ų109.550%0.49661%0.61SS.*G310 helixtrans-62.5-8.1172.100000114.3N380 P381N380-A383 HydrophobicContact CB-CB 4.25Å; N380-A383 PolarHBondContact OD1-N 3.15Å; P381-A383 VanDerWaalsContact C-N 3.3Å; P381-A383 PolarHBondContact O-N 3.35Å
384I43Very low42.1Very low150 Ų150114.9 Ų114.977%0.76962%0.624SS**G310 helixtrans-79.3-20173.6-59.4175.6000111.3P381 D382P381-I384 WeakPolarHBondContact O-CB 3.33Å; P381-I384 WeakPolarHBondContact O-CG1 3.42Å; P381-I384 PolarHBondContact O-N 3.05Å; D382-I384 PolarHBondContact O-N 3.17Å
385G37.5Very low41.8Very low46 Ų46114 Ų11447%0.47462%0.624SS.*THydrogen-bonded Turntrans-93.6-37.6-175.800000116.2D382D382-G385 PolarHBondContact O-N 3.25Å
386E40.3Very low41.4Very low123 Ų123118 Ų11858%0.57567%0.669SS**G310 helixtrans-75.9-30.9-165.8-63.9-109.9100.400113.6N388 R389E386-N388 PolarHBondContact O-N 3.38Å; E386-R389 PolarHBondContact O-N 3.14Å; E386-R389 IonicContact OE1-NH1 3.94Å
387A42.5Very low41.1Very low66 Ų66121 Ų12155%0.54569%0.687SS.*G310 helixtrans-64-11.1-17700000115.1
388N38.3Very low41Very low125 Ų125122.6 Ų122.667%0.66869%0.692SS**G310 helixtrans-88.4-26.6169.7-94.56.3000113.2E386 N391E386-N388 PolarHBondContact O-N 3.38Å; N388-N391 PolarHBondContact O-N 3.42Å
389R41.9Very low41.1Very low167 Ų167120.8 Ų120.863%0.6369%0.685SS**Hα-helixtrans-75.6-34.8-174.2-68.6-175.4173.2179.7-2.3113.2E386 N391 E392E386-R389 PolarHBondContact O-N 3.14Å; E386-R389 IonicContact OE1-NH1 3.94Å; R389-N391 PolarHBondContact O-N 3.39Å; R389-E392 PolarHBondContact O-N 3.14Å
390E40.1Very low41Very low155 Ų155122.5 Ų122.572%0.72469%0.688SS**Hα-helixtrans-67.8-25.1176.9-63-170.2140.100112.6
391N41.6Very low41Very low118 Ų118124.7 Ų124.763%0.63170%0.702SS**Hα-helixtrans-77.5-31.8175.7-83-38.2000113.2N388 R389 L393 H394N388-N391 PolarHBondContact O-N 3.42Å; R389-N391 PolarHBondContact O-N 3.39Å; N391-L393 VanDerWaalsContact C-N 3.31Å; N391-L393 PolarHBondContact O-N 2.84Å; N391-H394 PolarHBondContact O-N 3.23Å
392E39.3Very low40.8Very low149 Ų149126.9 Ų126.970%0.69671%0.709SS**Hα-helixtrans-75.4-18.9-179.1-69.4-175.215000113.2R389R389-E392 PolarHBondContact O-N 3.14Å
393L41Very low40.6Very low148 Ų148126.8 Ų126.878%0.77571%0.711SS**THydrogen-bonded Turntrans-88.62.5176.9-69.2174.2000114.5N391N391-L393 VanDerWaalsContact C-N 3.31Å; N391-L393 PolarHBondContact O-N 2.84Å
394H40Very low40.4Very low174 Ų174131.9 Ų131.981%0.80673%0.727SS**THydrogen-bonded Turntrans-117.212.8174.7-81.4-36.3000114.6N391N391-H394 PolarHBondContact O-N 3.23Å
395T42.9Very low40.2Very low127 Ų127130.4 Ų130.478%0.77972%0.724SS**  trans-132.168.8164.745.50000111.3
396A36.4Very low40.4Very low167 Ų167138.1 Ų138.1100%1.3875%0.746SS**  trans-142.70164.400000109

Retrieved 396 of 396 residues in 492.3 ms (Link to these results)

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