A0A3Q0KVM0_SCHMA Loading...

Cytochrome c oxidase subunit III (mitochondrion)

AlphaFold DB , UniProt , Accession A0A3Q0KVM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 164 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M58.6Low62.4Low199 Ų199104.7 Ų104.798%0.9860%0.597SS**  0-44.80-145.3152.9159.200112L3 L4 V5M1-L3 PolarHBondContact O-N 3.46Å; M1-L4 PolarHBondContact O-N 3.49Å; M1-V5 WeakPolarHBondContact O-CG2 3.43Å; M1-V5 PolarHBondContact O-N 2.87Å
2S64.2Low62.6Low99 Ų99100.8 Ų100.869%0.69258%0.581SS**Hα-helixtrans-58.6-40.8174.4510000114.9V5 S6S2-V5 PolarHBondContact O-N 2.97Å; S2-S6 PolarHBondContact O-N 3.4Å
3L63.3Low62.9Low127 Ų127105.6 Ų105.667%0.66559%0.586SS**Hα-helixtrans-65.7-42.8178.8-75.2166.8000113M1 V5 S6 Q7M1-L3 PolarHBondContact O-N 3.46Å; L3-V5 PolarHBondContact O-N 3.49Å; L3-S6 PolarHBondContact O-N 3.32Å; L3-S6 PolarHBondContact O-OG 2.72Å; L3-Q7 WeakPolarHBondContact O-CG 3.49Å; L3-Q7 PolarHBondContact O-N 3.48Å
4L61.3Low63.4Low116 Ų116104.5 Ų104.561%0.60758%0.577SS**Hα-helixtrans-62.9-41.2175.5-80.4164.8000111.7M1 S6 Q7 V8M1-L4 PolarHBondContact O-N 3.49Å; L4-S6 VanDerWaalsContact C-N 3.34Å; L4-S6 PolarHBondContact O-N 2.91Å; L4-Q7 PolarHBondContact O-N 3.2Å; L4-V8 WeakPolarHBondContact O-CB 3.16Å; L4-V8 VanDerWaalsContact O-CG2 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 3.42Å; L4-V8 PolarHBondContact O-N 3.21Å
5V65.3Low64.1Low98 Ų98107.7 Ų107.759%0.59458%0.578SS**Hα-helixtrans-63.3-41.2174.8174.80000110.9M1 S2 L3 C9M1-V5 WeakPolarHBondContact O-CG2 3.43Å; M1-V5 PolarHBondContact O-N 2.87Å; S2-V5 PolarHBondContact O-N 2.97Å; L3-V5 PolarHBondContact O-N 3.49Å; V5-C9 WeakPolarHBondContact O-CB 3.44Å; V5-C9 PolarHBondContact O-N 2.7Å
6S61.9Low64.6Low62 Ų62103.6 Ų103.643%0.43456%0.558SS.*Hα-helixtrans-64.9-39.1176.2780000112.7S2 L3 L4 C9 S10S2-S6 PolarHBondContact O-N 3.4Å; L3-S6 PolarHBondContact O-N 3.32Å; L3-S6 PolarHBondContact O-OG 2.72Å; L4-S6 VanDerWaalsContact C-N 3.34Å; L4-S6 PolarHBondContact O-N 2.91Å; S6-C9 PolarHBondContact O-N 3.45Å; S6-S10 WeakPolarHBondContact O-CB 3.45Å; S6-S10 PolarHBondContact O-N 3Å; S6-S10 PolarHBondContact O-OG 2.86Å
7Q60.8Low65.5Low116 Ų116100.4 Ų100.454%0.54254%0.543SS..Hα-helixtrans-70.1-44.5178.4-76.7178.8-38.800111.6L3 L4 C9 S10 L11L3-Q7 WeakPolarHBondContact O-CG 3.49Å; L3-Q7 PolarHBondContact O-N 3.48Å; L4-Q7 PolarHBondContact O-N 3.2Å; Q7-C9 VanDerWaalsContact C-N 3.3Å; Q7-C9 PolarHBondContact O-N 3.2Å; Q7-S10 WeakPolarHBondContact CA-OG 3.22Å; Q7-S10 PolarHBondContact O-N 3.45Å; Q7-S10 PolarHBondContact O-OG 3.42Å; Q7-L11 PolarHBondContact O-N 2.98Å
8V64Low66.4Low98 Ų9899.9 Ų99.959%0.59454%0.54SS*.Hα-helixtrans-63.1-38.7174174.10000110.9L4 L11 S12L4-V8 WeakPolarHBondContact O-CB 3.16Å; L4-V8 VanDerWaalsContact O-CG2 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 3.42Å; L4-V8 PolarHBondContact O-N 3.21Å; V8-L11 PolarHBondContact O-N 2.94Å; V8-S12 WeakPolarHBondContact O-CB 3.43Å; V8-S12 PolarHBondContact O-N 2.9Å; V8-S12 PolarHBondContact O-OG 3.15Å
9C60.2Low67.4Low80 Ų8097.3 Ų97.354%0.54153%0.529SS..Hα-helixtrans-64.8-41.2174.3-1660000111.4V5 S6 Q7 S12 Y13V5-C9 WeakPolarHBondContact O-CB 3.44Å; V5-C9 PolarHBondContact O-N 2.7Å; S6-C9 PolarHBondContact O-N 3.45Å; Q7-C9 VanDerWaalsContact C-N 3.3Å; Q7-C9 PolarHBondContact O-N 3.2Å; C9-S12 WeakPolarHBondContact CA-OG 3.28Å; C9-S12 PolarHBondContact O-OG 2.84Å; C9-Y13 WeakPolarHBondContact O-CB 3.37Å; C9-Y13 PolarHBondContact O-N 2.91Å
10S62Low68.5Low57 Ų5797.3 Ų97.340%0.39952%0.524SS..Hα-helixtrans-65.5-41.7175.273.20000112.6S6 Q7 Y13 I14S6-S10 WeakPolarHBondContact O-CB 3.45Å; S6-S10 PolarHBondContact O-N 3Å; S6-S10 PolarHBondContact O-OG 2.86Å; Q7-S10 WeakPolarHBondContact CA-OG 3.22Å; Q7-S10 PolarHBondContact O-N 3.45Å; Q7-S10 PolarHBondContact O-OG 3.42Å; S10-Y13 PolarHBondContact O-N 2.78Å; S10-I14 VanDerWaalsContact O-CG1 3.22Å; S10-I14 WeakPolarHBondContact O-CG1 3.21Å; S10-I14 PolarHBondContact O-N 3.42Å
11L64.8Low69.6Low100 Ų10098.2 Ų98.252%0.52453%0.527SS..Hα-helixtrans-64.5-51.1178.8-136.395.6000110.4Q7 V8 Y13 I14 Y15Q7-L11 PolarHBondContact O-N 2.98Å; V8-L11 PolarHBondContact O-N 2.94Å; L11-Y13 VanDerWaalsContact C-N 3.27Å; L11-Y13 PolarHBondContact O-N 2.93Å; L11-I14 PolarHBondContact O-N 3.18Å; L11-Y15 HydrophobicContact CD2-CD2 4.33Å; L11-Y15 HydrophobicContact CD2-CE2 3.69Å; L11-Y15 HydrophobicContact CG-CD2 4.38Å; L11-Y15 HydrophobicContact CG-CE2 4.02Å; L11-Y15 WeakPolarHBondContact O-CD2 3.4Å; L11-Y15 PolarHBondContact O-N 3.29Å
12S65.2Low71.2Confident58 Ų5891.5 Ų91.541%0.40650%0.503SS..Hα-helixtrans-61.6-35.4177.455.40000112.3V8 C9 V16V8-S12 WeakPolarHBondContact O-CB 3.43Å; V8-S12 PolarHBondContact O-N 2.9Å; V8-S12 PolarHBondContact O-OG 3.15Å; C9-S12 WeakPolarHBondContact CA-OG 3.28Å; C9-S12 PolarHBondContact O-OG 2.84Å; S12-V16 WeakPolarHBondContact O-CB 3.47Å; S12-V16 WeakPolarHBondContact O-CG2 3.22Å; S12-V16 PolarHBondContact O-N 3.01Å
13Y66.6Low72.5Confident163 Ų16388.5 Ų88.564%0.63948%0.477SS*.Hα-helixtrans-63.2-46.8173.6-174.2-97.3000111.8C9 S10 L11 V16 T17C9-Y13 WeakPolarHBondContact O-CB 3.37Å; C9-Y13 PolarHBondContact O-N 2.91Å; S10-Y13 PolarHBondContact O-N 2.78Å; L11-Y13 VanDerWaalsContact C-N 3.27Å; L11-Y13 PolarHBondContact O-N 2.93Å; Y13-V16 PolarHBondContact O-N 3.36Å; Y13-T17 HydrophobicContact CD1-CG2 4.25Å; Y13-T17 HydrophobicContact CE1-CG2 3.84Å; Y13-T17 PolarHBondContact O-N 2.81Å; Y13-T17 PolarHBondContact O-OG1 3.18Å
14I69.2Low74Confident90 Ų9089.7 Ų89.746%0.46247%0.473SS..Hα-helixtrans-59.7-49176.9-65.9165.7000110.6S10 L11 V16 T17 D18S10-I14 VanDerWaalsContact O-CG1 3.22Å; S10-I14 WeakPolarHBondContact O-CG1 3.21Å; S10-I14 PolarHBondContact O-N 3.42Å; L11-I14 PolarHBondContact O-N 3.18Å; I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 PolarHBondContact O-N 3.35Å; I14-T17 WeakPolarHBondContact CA-OG1 3.17Å; I14-T17 PolarHBondContact O-N 2.95Å; I14-T17 PolarHBondContact O-OG1 2.87Å; I14-D18 WeakPolarHBondContact O-CB 3.46Å; I14-D18 PolarHBondContact O-N 3.25Å
15Y74.1Confident75.6Confident153 Ų15389.6 Ų89.660%0.647%0.472SS*.Hα-helixtrans-58-41.1176.8-83.2-73.3000112.6L11 D18 C19L11-Y15 HydrophobicContact CD2-CD2 4.33Å; L11-Y15 HydrophobicContact CD2-CE2 3.69Å; L11-Y15 HydrophobicContact CG-CD2 4.38Å; L11-Y15 HydrophobicContact CG-CE2 4.02Å; L11-Y15 WeakPolarHBondContact O-CD2 3.4Å; L11-Y15 PolarHBondContact O-N 3.29Å; Y15-D18 PolarHBondContact O-N 2.9Å; Y15-C19 PolarHBondContact O-N 3.28Å; Y15-C19 PolarHBondContact O-SG 3.17Å
16V72.5Confident77.1Confident41 Ų4189 Ų8925%0.24846%0.462CS..Hα-helixtrans-70.6-36.9179.3172.40000112S12 Y13 I14 D18 K20S12-V16 WeakPolarHBondContact O-CB 3.47Å; S12-V16 WeakPolarHBondContact O-CG2 3.22Å; S12-V16 PolarHBondContact O-N 3.01Å; Y13-V16 PolarHBondContact O-N 3.36Å; I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 PolarHBondContact O-N 3.35Å; V16-D18 VanDerWaalsContact C-N 3.34Å; V16-K20 HydrophobicContact CG1-CD 4.41Å; V16-K20 WeakPolarHBondContact O-CG 3.36Å; V16-K20 PolarHBondContact O-N 3.41Å
17T78.8Confident78.7Confident50 Ų5087.9 Ų87.931%0.30745%0.451SS..Hα-helixtrans-66.5-39174.147.50000111.5Y13 I14 K20 M21Y13-T17 HydrophobicContact CD1-CG2 4.25Å; Y13-T17 HydrophobicContact CE1-CG2 3.84Å; Y13-T17 PolarHBondContact O-N 2.81Å; Y13-T17 PolarHBondContact O-OG1 3.18Å; I14-T17 WeakPolarHBondContact CA-OG1 3.17Å; I14-T17 PolarHBondContact O-N 2.95Å; I14-T17 PolarHBondContact O-OG1 2.87Å; T17-K20 PolarHBondContact O-N 2.91Å; T17-M21 WeakPolarHBondContact O-CB 3.36Å; T17-M21 PolarHBondContact O-N 3.26Å
18D82.1Confident80.4Confident91 Ų9184.5 Ų84.549%0.48744%0.443SS..Hα-helixtrans-66.3-42.9179-64.3-15.3000111.1I14 Y15 V16 K20 M21 A22I14-D18 WeakPolarHBondContact O-CB 3.46Å; I14-D18 PolarHBondContact O-N 3.25Å; Y15-D18 PolarHBondContact O-N 2.9Å; V16-D18 VanDerWaalsContact C-N 3.34Å; D18-K20 VanDerWaalsContact C-N 3.33Å; D18-K20 PolarHBondContact O-N 2.84Å; D18-M21 PolarHBondContact O-N 3.02Å; D18-A22 WeakPolarHBondContact O-CB 3.49Å; D18-A22 PolarHBondContact O-N 3.28Å
19C86.3Confident82Confident50 Ų5082.4 Ų82.434%0.33843%0.433SS..Hα-helixtrans-62-39.2174.6-67.80000112.7Y15 F23 W155 M159Y15-C19 PolarHBondContact O-N 3.28Å; Y15-C19 PolarHBondContact O-SG 3.17Å; C19-F23 WeakPolarHBondContact O-CB 3.16Å; C19-F23 PolarHBondContact O-N 3.43Å; C19-W155 HydrophobicContact CB-CH2 4.22Å; C19-W155 HydrophobicContact CB-CZ2 4.02Å; C19-M159 HydrophobicContact CB-CE 4.13Å
20K89Confident83.8Confident97 Ų9780.7 Ų80.742%0.42242%0.417SS..Hα-helixtrans-66.6-43.6176-72.6172.5-175.1170.80111.3V16 T17 D18 F23 W24 M159V16-K20 HydrophobicContact CG1-CD 4.41Å; V16-K20 WeakPolarHBondContact O-CG 3.36Å; V16-K20 PolarHBondContact O-N 3.41Å; T17-K20 PolarHBondContact O-N 2.91Å; D18-K20 VanDerWaalsContact C-N 3.33Å; D18-K20 PolarHBondContact O-N 2.84Å; K20-F23 PolarHBondContact O-N 3.04Å; K20-W24 PolarHBondContact O-N 2.94Å; K20-M159 HydrophobicContact CB-CE 4.43Å; K20-M159 HydrophobicContact CG-CE 3.79Å
21M90.8Very high85.4Confident118 Ų11883 Ų8358%0.58142%0.424SS*.Hα-helixtrans-62.5-44.3176.9-172.761.573.600111.1T17 D18 F23 W24 L25T17-M21 WeakPolarHBondContact O-CB 3.36Å; T17-M21 PolarHBondContact O-N 3.26Å; D18-M21 PolarHBondContact O-N 3.02Å; M21-F23 VanDerWaalsContact C-N 3.3Å; M21-F23 PolarHBondContact O-N 3.22Å; M21-W24 PolarHBondContact O-N 3.38Å; M21-L25 HydrophobicContact CG-CD1 4.44Å; M21-L25 WeakPolarHBondContact O-CG 3.5Å; M21-L25 PolarHBondContact O-N 2.94Å
22A92.2Very high87Confident58 Ų5883.2 Ų83.248%0.47943%0.425SS..Hα-helixtrans-58.9-41.7175.100000112D18 L25 F26D18-A22 WeakPolarHBondContact O-CB 3.49Å; D18-A22 PolarHBondContact O-N 3.28Å; A22-L25 PolarHBondContact O-N 3.37Å; A22-F26 WeakPolarHBondContact O-CB 3.16Å; A22-F26 PolarHBondContact O-N 3.13Å
23F93.1Very high88.6Confident35 Ų3583.3 Ų83.315%0.15442%0.423CS..Hα-helixtrans-64.9-40.4175.1179-104.7000112.7C19 K20 M21 F26 L27 M159 V162 Y163C19-F23 WeakPolarHBondContact O-CB 3.16Å; C19-F23 PolarHBondContact O-N 3.43Å; K20-F23 PolarHBondContact O-N 3.04Å; M21-F23 VanDerWaalsContact C-N 3.3Å; M21-F23 PolarHBondContact O-N 3.22Å; F23-F26 HydrophobicContact CD2-CD1 4.27Å; F23-F26 HydrophobicContact CE2-CD1 4.34Å; F23-F26 WeakPolarHBondContact O-CB 3.18Å; F23-F26 PolarHBondContact O-N 3Å; F23-L27 HydrophobicContact CD1-CD1 4.1Å; F23-L27 HydrophobicContact CE1-CD1 3.46Å; F23-L27 VanDerWaalsContact CE1-CD1 3.46Å; F23-L27 HydrophobicContact CE1-CG 4.07Å; F23-L27 HydrophobicContact CE2-CG 4.38Å; F23-L27 HydrophobicContact CZ-CD1 3.74Å; F23-L27 HydrophobicContact CZ-CD2 4.16Å; F23-L27 HydrophobicContact CZ-CG 3.98Å; F23-L27 PolarHBondContact O-N 3.36Å; F23-M159 HydrophobicContact CB-CE 4.35Å; F23-M159 HydrophobicContact CB-CG 4.48Å; F23-M159 HydrophobicContact CB-SD 4.43Å; F23-M159 HydrophobicContact CD1-CB 4.16Å; F23-M159 HydrophobicContact CD1-CG 3.94Å; F23-M159 HydrophobicContact CD2-CB 4.25Å; F23-M159 HydrophobicContact CD2-CG 4.43Å; F23-M159 HydrophobicContact CE1-CB 4.02Å; F23-M159 HydrophobicContact CE1-CG 4.27Å; F23-M159 HydrophobicContact CE2-CB 4.13Å; F23-M159 HydrophobicContact CG-CB 4.26Å; F23-M159 HydrophobicContact CG-CG 4.02Å; F23-M159 HydrophobicContact CG-SD 4.44Å; F23-M159 HydrophobicContact CZ-CB 4.02Å; F23-M159 VanDerWaalsContact CZ-O 3.25Å; F23-M159 WeakPolarHBondContact CZ-O 3.26Å; F23-V162 HydrophobicContact CE1-CB 4.25Å; F23-V162 HydrophobicContact CE1-CG1 4.07Å; F23-Y163 HydrophobicContact CE2-CD2 4.49Å
24W94.1Very high90Very high152 Ų15277.5 Ų77.558%0.57640%0.401SS*.Hα-helixtrans-63.7-40.2173.7-77.4114.2000112.7K20 M21 F26 L27 A28 V162K20-W24 PolarHBondContact O-N 2.94Å; M21-W24 PolarHBondContact O-N 3.38Å; W24-F26 VanDerWaalsContact C-N 3.34Å; W24-L27 HydrophobicContact CE3-CD1 4.29Å; W24-L27 HydrophobicContact CZ3-CD1 4.43Å; W24-L27 PolarHBondContact O-N 3.12Å; W24-A28 WeakPolarHBondContact O-CB 3.39Å; W24-A28 PolarHBondContact O-N 2.87Å; W24-V162 HydrophobicContact CH2-CG1 4.38Å
25L94.7Very high91.4Very high114 Ų11477.9 Ų77.960%0.59740%0.403SS*.Hα-helixtrans-65-38.7174.7-70.4173.6000111.8M21 A22 A28 S29M21-L25 HydrophobicContact CG-CD1 4.44Å; M21-L25 WeakPolarHBondContact O-CG 3.5Å; M21-L25 PolarHBondContact O-N 2.94Å; A22-L25 PolarHBondContact O-N 3.37Å; L25-A28 PolarHBondContact O-N 3.09Å; L25-S29 PolarHBondContact O-N 3.16Å; L25-S29 PolarHBondContact O-OG 3.41Å
26F95.9Very high92.5Very high86 Ų8673.8 Ų73.838%0.37739%0.394SS..Hα-helixtrans-60.9-48.5172.5167.4-104.7000111.7A22 F23 W24 A28 S29 E30 Y163A22-F26 WeakPolarHBondContact O-CB 3.16Å; A22-F26 PolarHBondContact O-N 3.13Å; F23-F26 HydrophobicContact CD2-CD1 4.27Å; F23-F26 HydrophobicContact CE2-CD1 4.34Å; F23-F26 WeakPolarHBondContact O-CB 3.18Å; F23-F26 PolarHBondContact O-N 3Å; W24-F26 VanDerWaalsContact C-N 3.34Å; F26-A28 VanDerWaalsContact C-N 3.27Å; F26-A28 PolarHBondContact O-N 3.2Å; F26-S29 PolarHBondContact O-N 3.18Å; F26-S29 PolarHBondContact O-OG 3.07Å; F26-E30 HydrophobicContact CD2-CG 4.34Å; F26-E30 HydrophobicContact CE1-CG 4.35Å; F26-E30 HydrophobicContact CE2-CG 3.85Å; F26-E30 WeakPolarHBondContact CE2-OE1 3.43Å; F26-E30 HydrophobicContact CZ-CG 3.87Å; F26-E30 WeakPolarHBondContact O-CG 3.48Å; F26-E30 PolarHBondContact O-N 3.07Å; F26-Y163 HydrophobicContact CE1-CD2 4.18Å; F26-Y163 AromaticContact CE1-CE2 3.89Å; F26-Y163 HydrophobicContact CE1-CE2 3.89Å; F26-Y163 HydrophobicContact CZ-CE2 4.35Å
27L95.8Very high93.6Very high39 Ų3973.9 Ų73.920%0.20439%0.392CS..Hα-helixtrans-60.6-38.1175.2-71.5178.6000112.2F23 W24 E30 L31 V162 Y163F23-L27 HydrophobicContact CD1-CD1 4.1Å; F23-L27 HydrophobicContact CE1-CD1 3.46Å; F23-L27 VanDerWaalsContact CE1-CD1 3.46Å; F23-L27 HydrophobicContact CE1-CG 4.07Å; F23-L27 HydrophobicContact CE2-CG 4.38Å; F23-L27 HydrophobicContact CZ-CD1 3.74Å; F23-L27 HydrophobicContact CZ-CD2 4.16Å; F23-L27 HydrophobicContact CZ-CG 3.98Å; F23-L27 PolarHBondContact O-N 3.36Å; W24-L27 HydrophobicContact CE3-CD1 4.29Å; W24-L27 HydrophobicContact CZ3-CD1 4.43Å; W24-L27 PolarHBondContact O-N 3.12Å; L27-E30 PolarHBondContact O-N 2.9Å; L27-L31 WeakPolarHBondContact O-CB 3.49Å; L27-L31 PolarHBondContact O-N 2.93Å; L27-V162 HydrophobicContact CD1-CG1 3.88Å; L27-Y163 HydrophobicContact CD2-CD2 3.96Å
28A97.5Very high94.5Very high44 Ų4474.5 Ų74.536%0.36439%0.393SS..Hα-helixtrans-65.2-39.5176.500000112.2W24 L25 F26 L31 I32W24-A28 WeakPolarHBondContact O-CB 3.39Å; W24-A28 PolarHBondContact O-N 2.87Å; L25-A28 PolarHBondContact O-N 3.09Å; F26-A28 VanDerWaalsContact C-N 3.27Å; F26-A28 PolarHBondContact O-N 3.2Å; A28-L31 PolarHBondContact O-N 3.19Å; A28-I32 VanDerWaalsContact O-CG1 3.31Å; A28-I32 WeakPolarHBondContact O-CG1 3.44Å; A28-I32 PolarHBondContact O-N 3.31Å; A28-I32 VanDerWaalsContact O-N 3.1Å
29S97.3Very high95.2Very high55 Ų5576.4 Ų76.439%0.38540%0.397SS..Hα-helixtrans-65.7-42.5175.356.40000112L25 F26 L31 I32 V33L25-S29 PolarHBondContact O-N 3.16Å; L25-S29 PolarHBondContact O-OG 3.41Å; F26-S29 PolarHBondContact O-N 3.18Å; F26-S29 PolarHBondContact O-OG 3.07Å; S29-L31 VanDerWaalsContact C-N 3.35Å; S29-L31 PolarHBondContact O-N 3.41Å; S29-I32 PolarHBondContact O-N 3.31Å; S29-V33 WeakPolarHBondContact O-CG2 3.38Å; S29-V33 PolarHBondContact O-N 2.91Å
30E96.9Very high95.7Very high43 Ų4375.7 Ų75.720%0.20139%0.393CS..Hα-helixtrans-62.1-43.1176.4-65.3-55.3142.300111.3F26 L27 I32 V33 F34 H133F26-E30 HydrophobicContact CD2-CG 4.34Å; F26-E30 HydrophobicContact CE1-CG 4.35Å; F26-E30 HydrophobicContact CE2-CG 3.85Å; F26-E30 WeakPolarHBondContact CE2-OE1 3.43Å; F26-E30 HydrophobicContact CZ-CG 3.87Å; F26-E30 WeakPolarHBondContact O-CG 3.48Å; F26-E30 PolarHBondContact O-N 3.07Å; L27-E30 PolarHBondContact O-N 2.9Å; E30-I32 VanDerWaalsContact C-N 3.3Å; E30-I32 PolarHBondContact O-N 3.41Å; E30-V33 WeakPolarHBondContact O-CB 3.41Å; E30-V33 PolarHBondContact O-N 2.94Å; E30-V33 VanDerWaalsContact O-N 3.1Å; E30-F34 VanDerWaalsContact O-CD2 3.26Å; E30-F34 WeakPolarHBondContact O-CD2 3.46Å; E30-F34 PolarHBondContact O-N 3.17Å; E30-H133 IonicContact OE2-CE1 3.16Å; E30-H133 PolarHBondContact OE2-CE1 3.01Å; E30-H133 IonicContact OE2-NE2 2.69Å; E30-H133 PolarHBondContact OE2-NE2 3.39Å
31L97.2Very high96Very high105 Ų10571.8 Ų71.855%0.5538%0.377SS..Hα-helixtrans-57.8-41.7174.7-18063.2000112.2L27 A28 S29 F34 L35L27-L31 WeakPolarHBondContact O-CB 3.49Å; L27-L31 PolarHBondContact O-N 2.93Å; A28-L31 PolarHBondContact O-N 3.19Å; S29-L31 VanDerWaalsContact C-N 3.35Å; S29-L31 PolarHBondContact O-N 3.41Å; L31-F34 PolarHBondContact O-N 2.96Å; L31-L35 HydrophobicContact CD1-CD1 4.36Å; L31-L35 HydrophobicContact CD1-CG 4.3Å; L31-L35 HydrophobicContact CG-CD1 4.08Å; L31-L35 HydrophobicContact CG-CG 4.44Å; L31-L35 WeakPolarHBondContact O-CB 3.42Å; L31-L35 VanDerWaalsContact O-CG 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.5Å; L31-L35 PolarHBondContact O-N 2.95Å
32I98.1Very high96.2Very high106 Ų10673.2 Ų73.254%0.54438%0.38SS..Hα-helixtrans-63-42.9176.1-67.3163.8000110.5A28 S29 E30 L35 T36A28-I32 VanDerWaalsContact O-CG1 3.31Å; A28-I32 WeakPolarHBondContact O-CG1 3.44Å; A28-I32 PolarHBondContact O-N 3.31Å; A28-I32 VanDerWaalsContact O-N 3.1Å; S29-I32 PolarHBondContact O-N 3.31Å; E30-I32 VanDerWaalsContact C-N 3.3Å; E30-I32 PolarHBondContact O-N 3.41Å; I32-L35 PolarHBondContact O-N 3.3Å; I32-T36 HydrophobicContact CG2-CG2 4.35Å; I32-T36 VanDerWaalsContact O-CG2 3.3Å; I32-T36 WeakPolarHBondContact O-CG2 3.44Å; I32-T36 PolarHBondContact O-N 3.28Å; I32-T36 PolarHBondContact O-OG1 3.36Å
33V97.5Very high96.4Very high60 Ų6078.9 Ų78.936%0.36439%0.389SS..Hα-helixtrans-59.7-47.9175.5176.60000110.8S29 E30 L35 T36 M37 L129S29-V33 WeakPolarHBondContact O-CG2 3.38Å; S29-V33 PolarHBondContact O-N 2.91Å; E30-V33 WeakPolarHBondContact O-CB 3.41Å; E30-V33 PolarHBondContact O-N 2.94Å; E30-V33 VanDerWaalsContact O-N 3.1Å; V33-L35 PolarHBondContact O-N 3.39Å; V33-T36 PolarHBondContact O-N 3.02Å; V33-T36 PolarHBondContact O-OG1 3.38Å; V33-M37 PolarHBondContact O-N 2.89Å; V33-L129 HydrophobicContact CG1-CD2 3.66Å
34F97.6Very high96.5Very high41 Ų4182 Ų8218%0.1840%0.401CS..Hα-helixtrans-59.6-45.2175.9-83.1-75.3000112.6E30 L31 T36 M37 I38 L126 L129 H130 H133E30-F34 VanDerWaalsContact O-CD2 3.26Å; E30-F34 WeakPolarHBondContact O-CD2 3.46Å; E30-F34 PolarHBondContact O-N 3.17Å; L31-F34 PolarHBondContact O-N 2.96Å; F34-T36 PolarHBondContact O-N 2.91Å; F34-M37 PolarHBondContact O-N 3.49Å; F34-I38 VanDerWaalsContact O-CG1 3.3Å; F34-I38 WeakPolarHBondContact O-CG1 3.48Å; F34-I38 PolarHBondContact O-N 3.27Å; F34-L126 HydrophobicContact CD1-CD1 3.66Å; F34-L126 HydrophobicContact CE1-CD1 4.24Å; F34-L129 HydrophobicContact CD1-CD2 4.15Å; F34-L129 HydrophobicContact CD2-CD2 4.3Å; F34-L129 HydrophobicContact CE1-CB 4.3Å; F34-L129 HydrophobicContact CE1-CD2 3.86Å; F34-L129 HydrophobicContact CE1-CG 4Å; F34-L129 HydrophobicContact CE2-CD2 4.01Å; F34-L129 HydrophobicContact CE2-CG 4.22Å; F34-L129 HydrophobicContact CG-CD2 4.35Å; F34-L129 HydrophobicContact CZ-CB 4.37Å; F34-L129 HydrophobicContact CZ-CD2 3.78Å; F34-L129 HydrophobicContact CZ-CG 3.68Å; F34-H130 HydrophobicContact CE1-CB 4.11Å; F34-H130 HydrophobicContact CZ-CB 4.48Å; F34-H133 AromaticContact CE2-CE1 3.96Å
35L98Very high96.5Very high98 Ų9879 Ų7951%0.51340%0.395SS..Hα-helixtrans-63.3-40.4178.7-72.5174.1000112.3L31 I32 V33 I38 F39L31-L35 HydrophobicContact CD1-CD1 4.36Å; L31-L35 HydrophobicContact CD1-CG 4.3Å; L31-L35 HydrophobicContact CG-CD1 4.08Å; L31-L35 HydrophobicContact CG-CG 4.44Å; L31-L35 WeakPolarHBondContact O-CB 3.42Å; L31-L35 VanDerWaalsContact O-CG 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.5Å; L31-L35 PolarHBondContact O-N 2.95Å; I32-L35 PolarHBondContact O-N 3.3Å; V33-L35 PolarHBondContact O-N 3.39Å; L35-I38 PolarHBondContact O-N 2.85Å; L35-F39 WeakPolarHBondContact O-CB 3.46Å; L35-F39 PolarHBondContact O-N 3.32Å
36T97.2Very high96.4Very high66 Ų6678.9 Ų78.941%0.40539%0.39SS..Hα-helixtrans-65.4-39176.157.20000112.1I32 V33 F34 F39 C40I32-T36 HydrophobicContact CG2-CG2 4.35Å; I32-T36 VanDerWaalsContact O-CG2 3.3Å; I32-T36 WeakPolarHBondContact O-CG2 3.44Å; I32-T36 PolarHBondContact O-N 3.28Å; I32-T36 PolarHBondContact O-OG1 3.36Å; V33-T36 PolarHBondContact O-N 3.02Å; V33-T36 PolarHBondContact O-OG1 3.38Å; F34-T36 PolarHBondContact O-N 2.91Å; T36-F39 WeakPolarHBondContact O-CB 3.41Å; T36-F39 PolarHBondContact O-N 3.24Å; T36-C40 PolarHBondContact O-N 2.89Å; T36-C40 PolarHBondContact O-SG 3.21Å
37M96.1Very high96Very high44 Ų4479.3 Ų79.322%0.21742%0.419CS..Hα-helixtrans-66.7-41.9174.9-71.3-61.1118.600112.2V33 F34 F39 C40 C41 M125 L126V33-M37 PolarHBondContact O-N 2.89Å; F34-M37 PolarHBondContact O-N 3.49Å; M37-F39 VanDerWaalsContact C-N 3.3Å; M37-F39 PolarHBondContact O-N 3.17Å; M37-C40 WeakPolarHBondContact O-CB 3.33Å; M37-C40 PolarHBondContact O-N 3.24Å; M37-C40 VanDerWaalsContact O-N 3.14Å; M37-C41 PolarHBondContact O-N 3.44Å; M37-C41 PolarHBondContact O-SG 3.48Å; M37-M125 HydrophobicContact SD-CB 4.39Å; M37-M125 HydrophobicContact SD-CE 3.98Å; M37-L126 HydrophobicContact CB-CB 4.33Å; M37-L126 HydrophobicContact CB-CD1 3.95Å
38I97.2Very high95.7Very high63 Ų6382.3 Ų82.332%0.32344%0.443SS..Hα-helixtrans-59.8-42.8173.5-69.3163.3000110.6F34 L35 C40 C41 F42 L126F34-I38 VanDerWaalsContact O-CG1 3.3Å; F34-I38 WeakPolarHBondContact O-CG1 3.48Å; F34-I38 PolarHBondContact O-N 3.27Å; L35-I38 PolarHBondContact O-N 2.85Å; I38-C40 VanDerWaalsContact C-N 3.33Å; I38-C40 PolarHBondContact O-N 2.8Å; I38-C41 WeakPolarHBondContact O-CB 3.42Å; I38-C41 PolarHBondContact O-N 3.24Å; I38-F42 HydrophobicContact CG2-CD2 3.78Å; I38-F42 HydrophobicContact CG2-CE2 3.44Å; I38-F42 VanDerWaalsContact CG2-CE2 3.44Å; I38-F42 HydrophobicContact CG2-CZ 4.48Å; I38-F42 VanDerWaalsContact O-CD2 3.28Å; I38-F42 WeakPolarHBondContact O-CD2 3.2Å; I38-F42 PolarHBondContact O-N 2.95Å; I38-F42 VanDerWaalsContact O-N 3.09Å; I38-L126 HydrophobicContact CG1-CD1 4.03Å; I38-L126 HydrophobicContact CG1-CD2 3.82Å
39F97.5Very high95.2Very high130 Ų13081.8 Ų81.857%0.5744%0.436SS*.Hα-helixtrans-59.7-42.6174.6178.3-96.3000111.9L35 T36 M37 C41 F42 W43L35-F39 WeakPolarHBondContact O-CB 3.46Å; L35-F39 PolarHBondContact O-N 3.32Å; T36-F39 WeakPolarHBondContact O-CB 3.41Å; T36-F39 PolarHBondContact O-N 3.24Å; M37-F39 VanDerWaalsContact C-N 3.3Å; M37-F39 PolarHBondContact O-N 3.17Å; F39-C41 PolarHBondContact O-N 3.4Å; F39-F42 PolarHBondContact O-N 3.48Å; F39-W43 HydrophobicContact CE1-CE3 4.33Å; F39-W43 AromaticContact CZ-CE3 3.88Å; F39-W43 HydrophobicContact CZ-CE3 3.88Å; F39-W43 HydrophobicContact CZ-CZ3 4.4Å; F39-W43 WeakPolarHBondContact O-CB 3.39Å; F39-W43 PolarHBondContact O-N 2.95Å
40C96.4Very high94.8Very high36 Ų3683.2 Ų83.224%0.24344%0.443CS..Hα-helixtrans-59-43.9173.5-69.10000112.2T36 M37 I38 F42 W43 Y44T36-C40 PolarHBondContact O-N 2.89Å; T36-C40 PolarHBondContact O-SG 3.21Å; M37-C40 WeakPolarHBondContact O-CB 3.33Å; M37-C40 PolarHBondContact O-N 3.24Å; M37-C40 VanDerWaalsContact O-N 3.14Å; I38-C40 VanDerWaalsContact C-N 3.33Å; I38-C40 PolarHBondContact O-N 2.8Å; C40-F42 VanDerWaalsContact C-N 3.32Å; C40-F42 PolarHBondContact O-N 3.29Å; C40-W43 PolarHBondContact O-N 3.44Å; C40-Y44 HydrophobicContact CB-CD2 4.43Å; C40-Y44 HydrophobicContact CB-CE2 4.45Å; C40-Y44 WeakPolarHBondContact O-CD2 3.43Å; C40-Y44 PolarHBondContact O-N 2.99Å
41C95Very high94.4Very high14 Ų1484 Ų8410%0.09546%0.456CS..Hα-helixtrans-57.8-45.4176.6-61.80000111.5M37 I38 F39 I45 Y119 S122 C123M37-C41 PolarHBondContact O-N 3.44Å; M37-C41 PolarHBondContact O-SG 3.48Å; I38-C41 WeakPolarHBondContact O-CB 3.42Å; I38-C41 PolarHBondContact O-N 3.24Å; F39-C41 PolarHBondContact O-N 3.4Å; C41-I45 WeakPolarHBondContact O-CB 3.45Å; C41-I45 PolarHBondContact O-N 2.87Å; C41-I45 VanDerWaalsContact O-N 3.13Å; C41-Y119 WeakPolarHBondContact O-CD2 3.4Å; C41-S122 WeakPolarHBondContact CA-OG 3.26Å; C41-S122 PolarHBondContact SG-OG 3.06Å; C41-C123 VanDerWaalsContact SG-SG 3.67Å
42F95.7Very high94Very high148 Ų14880.5 Ų80.565%0.64944%0.438SS*.Hα-helixtrans-68.7-33.3176.8-73.2-55.8000113.4I38 F39 C40 I45I38-F42 HydrophobicContact CG2-CD2 3.78Å; I38-F42 HydrophobicContact CG2-CE2 3.44Å; I38-F42 VanDerWaalsContact CG2-CE2 3.44Å; I38-F42 HydrophobicContact CG2-CZ 4.48Å; I38-F42 VanDerWaalsContact O-CD2 3.28Å; I38-F42 WeakPolarHBondContact O-CD2 3.2Å; I38-F42 PolarHBondContact O-N 2.95Å; I38-F42 VanDerWaalsContact O-N 3.09Å; F39-F42 PolarHBondContact O-N 3.48Å; C40-F42 VanDerWaalsContact C-N 3.32Å; C40-F42 PolarHBondContact O-N 3.29Å; F42-I45 VanDerWaalsContact O-CG2 3.23Å; F42-I45 WeakPolarHBondContact O-CG2 3.4Å
43W96.6Very high93.6Very high177 Ų17776.9 Ų76.967%0.6742%0.422SS*.Hα-helixtrans-68.6-39179-174-93.3000112.3F39 C40F39-W43 HydrophobicContact CE1-CE3 4.33Å; F39-W43 AromaticContact CZ-CE3 3.88Å; F39-W43 HydrophobicContact CZ-CE3 3.88Å; F39-W43 HydrophobicContact CZ-CZ3 4.4Å; F39-W43 WeakPolarHBondContact O-CB 3.39Å; F39-W43 PolarHBondContact O-N 2.95Å; C40-W43 PolarHBondContact O-N 3.44Å
44Y95.2Very high93.2Very high100 Ų10081.7 Ų81.739%0.39244%0.435SS..Hα-helixtrans-93.5-3.8-177-65.8-62000114.4C40 K46 P118C40-Y44 HydrophobicContact CB-CD2 4.43Å; C40-Y44 HydrophobicContact CB-CE2 4.45Å; C40-Y44 WeakPolarHBondContact O-CD2 3.43Å; C40-Y44 PolarHBondContact O-N 2.99Å; Y44-K46 PolarHBondContact O-N 3.39Å; Y44-P118 HydrophobicContact CD1-CB 3.84Å; Y44-P118 HydrophobicContact CD1-CG 3.75Å; Y44-P118 HydrophobicContact CD2-CB 4.03Å; Y44-P118 HydrophobicContact CE1-CB 4.05Å; Y44-P118 HydrophobicContact CE1-CG 4.17Å; Y44-P118 HydrophobicContact CE2-CB 4.24Å; Y44-P118 HydrophobicContact CG-CB 3.83Å; Y44-P118 HydrophobicContact CG-CG 4.08Å
45I94Very high92.8Very high90 Ų9083.7 Ų83.746%0.46245%0.452SS..  trans-61.4129.4-179.8-160.9169.3000111C41 F42 Y119C41-I45 WeakPolarHBondContact O-CB 3.45Å; C41-I45 PolarHBondContact O-N 2.87Å; C41-I45 VanDerWaalsContact O-N 3.13Å; F42-I45 VanDerWaalsContact O-CG2 3.23Å; F42-I45 WeakPolarHBondContact O-CG2 3.4Å; I45-Y119 HydrophobicContact CB-CD2 4.07Å; I45-Y119 HydrophobicContact CB-CE2 3.96Å; I45-Y119 HydrophobicContact CD1-CE2 4.21Å; I45-Y119 HydrophobicContact CG1-CD2 4.28Å; I45-Y119 HydrophobicContact CG1-CE2 3.8Å
46K92.1Very high92.5Very high112 Ų11284.7 Ų84.749%0.48746%0.457SS..  trans-111151.8173.3-65.4171-175.4165.70108.2Y44 S48 S49 D117Y44-K46 PolarHBondContact O-N 3.39Å; K46-S48 PolarHBondContact O-N 2.87Å; K46-S49 PolarHBondContact N-OG 3.2Å; K46-S49 VanDerWaalsContact O-CB 3.3Å; K46-S49 WeakPolarHBondContact O-CB 3.37Å; K46-S49 PolarHBondContact O-N 3.07Å; K46-S49 PolarHBondContact O-OG 2.87Å; K46-D117 IonicContact NZ-OD2 3.19Å; K46-D117 PolarHBondContact NZ-OD2 3.08Å
47G88.2Confident92.2Very high95 Ų9583.3 Ų83.398%0.97946%0.456SS*.THydrogen-bonded Turntrans-60.6-17.7178.600000114.5
48S88.2Confident92Very high101 Ų10183.6 Ų83.671%0.70646%0.458SS*.THydrogen-bonded Turntrans-98.44.9176.563.70000114K46K46-S48 PolarHBondContact O-N 2.87Å
49S88.3Confident91.9Very high33 Ų3382 Ų8223%0.23145%0.451CS..PPolyproline II helixtrans-67.2136.2179.4-68.20000110.7K46K46-S49 PolarHBondContact N-OG 3.2Å; K46-S49 VanDerWaalsContact O-CB 3.3Å; K46-S49 WeakPolarHBondContact O-CB 3.37Å; K46-S49 PolarHBondContact O-N 3.07Å; K46-S49 PolarHBondContact O-OG 2.87Å
50V89Confident91.8Very high86 Ų8680 Ų8052%0.52145%0.446SS..PPolyproline II helixtrans-95.7149.5175.1-176.10000108.7Y120V50-Y120 PolarHBondContact N-OH 2.94Å; V50-Y120 VanDerWaalsContact N-OH 3.17Å; V50-Y120 WeakPolarHBondContact O-CE1 3.25Å
51A87Confident91.8Very high58 Ų5881.7 Ų81.748%0.47945%0.452SS..PPolyproline II helixtrans-70.2145.117300000110.6S53A51-S53 VanDerWaalsContact C-N 3.26Å; A51-S53 WeakPolarHBondContact CB-O 3.28Å; A51-S53 PolarHBondContact O-N 3.19Å
52I88.6Confident91.9Very high32 Ų3282 Ų8216%0.16445%0.452CS..SBendtrans-60.8-41.6175.8-66178.8000110.5V112 C123 F124I52-V112 HydrophobicContact CB-CG2 4.48Å; I52-V112 HydrophobicContact CG1-CG2 3.98Å; I52-C123 HydrophobicContact CD1-CB 3.34Å; I52-C123 HydrophobicContact CG1-CB 4.33Å; I52-F124 HydrophobicContact CD1-CD2 3.89Å; I52-F124 HydrophobicContact CD1-CE2 3.99Å; I52-F124 HydrophobicContact CD1-CG 4.4Å; I52-F124 HydrophobicContact CG1-CE2 4.31Å; I52-F124 HydrophobicContact CG2-CZ 4.35Å
53S89.2Confident91.9Very high31 Ų3178.4 Ų78.422%0.21744%0.443CS..SBendtrans-141.4153.5179.3-1760000109.7A51 P59 E106A51-S53 VanDerWaalsContact C-N 3.26Å; A51-S53 WeakPolarHBondContact CB-O 3.28Å; A51-S53 PolarHBondContact O-N 3.19Å; S53-P59 WeakPolarHBondContact OG-CD 3.12Å; S53-E106 WeakPolarHBondContact CB-OE1 3.42Å; S53-E106 WeakPolarHBondContact CB-OE2 3.44Å; S53-E106 VanDerWaalsContact OG-CD 3.24Å; S53-E106 PolarHBondContact OG-OE1 3.1Å; S53-E106 PolarHBondContact OG-OE2 3.45Å
54Y90Very high91.9Very high161 Ų16176.7 Ų76.763%0.63144%0.437SS*.  trans-73.5123.1177.5-175.5-113.7000109.1L56 G57 P59Y54-L56 HydrophobicContact CD1-CB 4.1Å; Y54-L56 HydrophobicContact CE1-CB 3.63Å; Y54-L56 HydrophobicContact CE1-CD1 4.47Å; Y54-L56 HydrophobicContact CE1-CG 4.45Å; Y54-L56 PolarHBondContact O-N 3.34Å; Y54-L56 VanDerWaalsContact O-N 3.09Å; Y54-G57 PolarHBondContact O-N 3.31Å; Y54-P59 WeakPolarHBondContact O-CD 3.44Å
55P89.4Confident92.1Very high83 Ų8372.8 Ų72.854%0.53942%0.423SS..THydrogen-bonded Turntrans-62.4-26.7-168.422.7-34.6000114.2I60P55-I60 PolarHBondContact O-N 3.42Å
56L91.2Very high92.2Very high119 Ų11970.2 Ų70.262%0.62341%0.409SS*.THydrogen-bonded Turntrans-93.78.2177.6-61.5172.9000113.2Y54 I60Y54-L56 HydrophobicContact CD1-CB 4.1Å; Y54-L56 HydrophobicContact CE1-CB 3.63Å; Y54-L56 HydrophobicContact CE1-CD1 4.47Å; Y54-L56 HydrophobicContact CE1-CG 4.45Å; Y54-L56 PolarHBondContact O-N 3.34Å; Y54-L56 VanDerWaalsContact O-N 3.09Å; L56-I60 WeakPolarHBondContact O-CG2 3.45Å
57G90.7Very high92.5Very high36 Ų3670.9 Ų70.937%0.37142%0.416SS..SBendtrans-91.9-115.717700000112.3Y54 I60Y54-G57 PolarHBondContact O-N 3.31Å; G57-I60 VanDerWaalsContact O-CG2 3.27Å; G57-I60 WeakPolarHBondContact O-CG2 3.42Å
58I93.2Very high92.9Very high51 Ų5168.9 Ų68.926%0.26238%0.382SS..Hα-helixtrans-65.9-40.9177.1-62171.8000112.5I60 L61 E62 F102I58-I60 VanDerWaalsContact C-N 3.3Å; I58-I60 PolarHBondContact O-N 2.96Å; I58-I60 VanDerWaalsContact O-N 3.16Å; I58-L61 WeakPolarHBondContact O-CB 3.46Å; I58-L61 PolarHBondContact O-N 2.77Å; I58-E62 HydrophobicContact CG2-CG 4Å; I58-E62 PolarHBondContact O-N 3.46Å; I58-F102 HydrophobicContact CG2-CB 3.85Å; I58-F102 HydrophobicContact CG2-CD1 4.34Å; I58-F102 HydrophobicContact CG2-CG 4.37Å
59P94.1Very high93.3Very high28 Ų2864.1 Ų64.118%0.18235%0.348CS..Hα-helixtrans-58.7-33.6-176.8-28.835.7000115.1S53 Y54 T63 E106S53-P59 WeakPolarHBondContact OG-CD 3.12Å; Y54-P59 WeakPolarHBondContact O-CD 3.44Å; P59-T63 WeakPolarHBondContact O-CB 3.37Å; P59-T63 PolarHBondContact O-N 3.39Å; P59-T63 PolarHBondContact O-OG1 3.39Å; P59-E106 WeakPolarHBondContact CD-OE2 3.31Å; P59-E106 WeakPolarHBondContact CG-OE2 3.17Å
60I95.6Very high93.7Very high89 Ų8964.7 Ų64.746%0.45635%0.352SS..Hα-helixtrans-72.6-35.2177.4-167.764.6000111.8P55 L56 G57 I58 T63 Y64P55-I60 PolarHBondContact O-N 3.42Å; L56-I60 WeakPolarHBondContact O-CG2 3.45Å; G57-I60 VanDerWaalsContact O-CG2 3.27Å; G57-I60 WeakPolarHBondContact O-CG2 3.42Å; I58-I60 VanDerWaalsContact C-N 3.3Å; I58-I60 PolarHBondContact O-N 2.96Å; I58-I60 VanDerWaalsContact O-N 3.16Å; I60-T63 PolarHBondContact O-N 3.05Å; I60-Y64 PolarHBondContact O-N 3.48Å
61L96.5Very high94.1Very high72 Ų7266.8 Ų66.838%0.37736%0.355SS..Hα-helixtrans-65.6-44.5173.817663.7000110.5I58 T63 Y64 L65 F102I58-L61 WeakPolarHBondContact O-CB 3.46Å; I58-L61 PolarHBondContact O-N 2.77Å; L61-T63 VanDerWaalsContact C-N 3.34Å; L61-T63 PolarHBondContact O-N 2.92Å; L61-Y64 WeakPolarHBondContact O-CB 3.36Å; L61-Y64 PolarHBondContact O-N 2.98Å; L61-L65 HydrophobicContact CG-CD1 4.37Å; L61-L65 WeakPolarHBondContact O-CG 3.17Å; L61-L65 PolarHBondContact O-N 3.24Å; L61-F102 HydrophobicContact CD2-CD2 4.21Å; L61-F102 HydrophobicContact CD2-CE1 4.15Å; L61-F102 HydrophobicContact CD2-CE2 3.78Å; L61-F102 HydrophobicContact CD2-CZ 3.75Å
62E96.9Very high94.5Very high19 Ų1965.6 Ų65.69%0.08934%0.339CS..Hα-helixtrans-58.8-44.2174.5-74.3-178.3166.500112.5I58 Y64 L65 L66 F99 F102 A103I58-E62 HydrophobicContact CG2-CG 4Å; I58-E62 PolarHBondContact O-N 3.46Å; E62-Y64 VanDerWaalsContact C-N 3.3Å; E62-Y64 PolarHBondContact O-N 3.13Å; E62-L65 PolarHBondContact O-N 3.42Å; E62-L66 PolarHBondContact O-N 3.18Å; E62-F99 HydrophobicContact CB-CD2 3.67Å; E62-F99 HydrophobicContact CB-CE2 3.7Å; E62-F99 HydrophobicContact CG-CD2 3.98Å; E62-F99 HydrophobicContact CG-CE2 4.12Å; E62-F102 HydrophobicContact CG-CB 3.97Å; E62-A103 WeakPolarHBondContact OE1-CA 3.44Å; E62-A103 PolarHBondContact OE1-N 3.02Å
63T96.6Very high94.8Very high74 Ų7464.4 Ų64.445%0.45433%0.333SS..Hα-helixtrans-59.3-43.3175.4-59.10000111P59 I60 L61 M67P59-T63 WeakPolarHBondContact O-CB 3.37Å; P59-T63 PolarHBondContact O-N 3.39Å; P59-T63 PolarHBondContact O-OG1 3.39Å; I60-T63 PolarHBondContact O-N 3.05Å; L61-T63 VanDerWaalsContact C-N 3.34Å; L61-T63 PolarHBondContact O-N 2.92Å; T63-M67 VanDerWaalsContact O-CB 3.27Å; T63-M67 WeakPolarHBondContact O-CB 3.34Å; T63-M67 PolarHBondContact O-N 3.28Å
64Y97Very high95.1Very high141 Ų14166.6 Ų66.655%0.55335%0.348SS*.Hα-helixtrans-63.5-42.8175.8179-99.2000112.1I60 L61 E62 M67 M68I60-Y64 PolarHBondContact O-N 3.48Å; L61-Y64 WeakPolarHBondContact O-CB 3.36Å; L61-Y64 PolarHBondContact O-N 2.98Å; E62-Y64 VanDerWaalsContact C-N 3.3Å; E62-Y64 PolarHBondContact O-N 3.13Å; Y64-M67 PolarHBondContact O-N 3.47Å; Y64-M68 HydrophobicContact CD1-CG 4.19Å; Y64-M68 HydrophobicContact CD2-CG 4.28Å; Y64-M68 HydrophobicContact CE1-CG 3.77Å; Y64-M68 HydrophobicContact CE2-CG 3.87Å; Y64-M68 HydrophobicContact CE2-SD 4.14Å; Y64-M68 HydrophobicContact CG-CG 4.43Å; Y64-M68 WeakPolarHBondContact O-CB 3.29Å; Y64-M68 VanDerWaalsContact O-CG 3.29Å; Y64-M68 WeakPolarHBondContact O-CG 3.43Å; Y64-M68 PolarHBondContact O-N 2.94Å
65L97.9Very high95.3Very high18 Ų1859.7 Ų59.79%0.09432%0.324CS..Hα-helixtrans-60.5-47177.7-73.4169.6000112L61 E62 S69 L98 F102L61-L65 HydrophobicContact CG-CD1 4.37Å; L61-L65 WeakPolarHBondContact O-CG 3.17Å; L61-L65 PolarHBondContact O-N 3.24Å; E62-L65 PolarHBondContact O-N 3.42Å; L65-S69 WeakPolarHBondContact O-CB 3.45Å; L65-S69 PolarHBondContact O-N 3.11Å; L65-L98 HydrophobicContact CD1-CB 3.96Å; L65-L98 HydrophobicContact CD2-CB 4.28Å; L65-L98 HydrophobicContact CD2-CD1 4.23Å; L65-F102 HydrophobicContact CD1-CD2 3.82Å; L65-F102 HydrophobicContact CD1-CE2 4.09Å
66L96.8Very high95.5Very high35 Ų3555.9 Ų55.918%0.18330%0.299CS..Hα-helixtrans-66.6-43.2177.4-75.2178.1000111.9E62 M68 S69 S70 F99 V134 W164E62-L66 PolarHBondContact O-N 3.18Å; L66-M68 VanDerWaalsContact C-N 3.34Å; L66-M68 PolarHBondContact O-N 3.45Å; L66-S69 WeakPolarHBondContact O-CA 3.39Å; L66-S69 VanDerWaalsContact O-CB 3.31Å; L66-S69 WeakPolarHBondContact O-CB 3.43Å; L66-S69 PolarHBondContact O-N 3.27Å; L66-S69 VanDerWaalsContact O-N 3.11Å; L66-S70 PolarHBondContact O-N 3.24Å; L66-S70 PolarHBondContact O-OG 3.4Å; L66-F99 HydrophobicContact CD1-CD2 3.62Å; L66-F99 HydrophobicContact CD1-CE1 4.5Å; L66-F99 HydrophobicContact CD1-CE2 3.36Å; L66-F99 HydrophobicContact CD1-CG 4.3Å; L66-F99 HydrophobicContact CD1-CZ 3.88Å; L66-F99 HydrophobicContact CD2-CB 4.47Å; L66-F99 HydrophobicContact CD2-CD2 4.14Å; L66-F99 HydrophobicContact CD2-CG 4.1Å; L66-F99 HydrophobicContact CG-CD2 3.54Å; L66-F99 HydrophobicContact CG-CE2 3.87Å; L66-F99 HydrophobicContact CG-CG 4.01Å; L66-V134 HydrophobicContact CD2-CG1 4.4Å; L66-V134 HydrophobicContact CD2-CG2 4.48Å; L66-W164 HydrophobicContact CD2-CH2 4.08Å; L66-W164 HydrophobicContact CD2-CZ2 3.93Å
67M97.4Very high95.5Very high127 Ų12754.6 Ų54.663%0.62629%0.29SS*.Hα-helixtrans-59.8-44.4177.4-172.9-179.9-62.500112T63 Y64 S69 S70 F71T63-M67 VanDerWaalsContact O-CB 3.27Å; T63-M67 WeakPolarHBondContact O-CB 3.34Å; T63-M67 PolarHBondContact O-N 3.28Å; Y64-M67 PolarHBondContact O-N 3.47Å; M67-S69 VanDerWaalsContact C-N 3.33Å; M67-S70 PolarHBondContact O-N 3.23Å; M67-F71 PolarHBondContact O-N 2.91Å
68M97.5Very high95.5Very high53 Ų5357.2 Ų57.226%0.26130%0.302SS..Hα-helixtrans-64.4-38.8174.8-73.1-57.3-60.600111.9Y64 L66 F71 F72Y64-M68 HydrophobicContact CD1-CG 4.19Å; Y64-M68 HydrophobicContact CD2-CG 4.28Å; Y64-M68 HydrophobicContact CE1-CG 3.77Å; Y64-M68 HydrophobicContact CE2-CG 3.87Å; Y64-M68 HydrophobicContact CE2-SD 4.14Å; Y64-M68 HydrophobicContact CG-CG 4.43Å; Y64-M68 WeakPolarHBondContact O-CB 3.29Å; Y64-M68 VanDerWaalsContact O-CG 3.29Å; Y64-M68 WeakPolarHBondContact O-CG 3.43Å; Y64-M68 PolarHBondContact O-N 2.94Å; L66-M68 VanDerWaalsContact C-N 3.34Å; L66-M68 PolarHBondContact O-N 3.45Å; M68-F71 WeakPolarHBondContact O-CB 3.34Å; M68-F71 PolarHBondContact O-N 3.29Å; M68-F72 HydrophobicContact CB-CE2 4.38Å; M68-F72 HydrophobicContact CE-CE1 4.27Å; M68-F72 HydrophobicContact CE-CE2 4.44Å; M68-F72 HydrophobicContact CE-CZ 3.86Å; M68-F72 WeakPolarHBondContact O-CD2 3.25Å; M68-F72 WeakPolarHBondContact O-CG 3.43Å; M68-F72 PolarHBondContact O-N 3.42Å
69S97.1Very high95.3Very high0 Ų057.6 Ų57.60%031%0.305CS..Hα-helixtrans-59.5-48.4174.8-169.80000111.8L65 L66 M67 F71 F72 I73 S92 W164L65-S69 WeakPolarHBondContact O-CB 3.45Å; L65-S69 PolarHBondContact O-N 3.11Å; L66-S69 WeakPolarHBondContact O-CA 3.39Å; L66-S69 VanDerWaalsContact O-CB 3.31Å; L66-S69 WeakPolarHBondContact O-CB 3.43Å; L66-S69 PolarHBondContact O-N 3.27Å; L66-S69 VanDerWaalsContact O-N 3.11Å; M67-S69 VanDerWaalsContact C-N 3.33Å; S69-F71 VanDerWaalsContact C-N 3.3Å; S69-F71 PolarHBondContact O-N 2.65Å; S69-F72 PolarHBondContact O-N 2.94Å; S69-F72 VanDerWaalsContact O-N 3.13Å; S69-I73 PolarHBondContact O-N 3.07Å; S69-S92 WeakPolarHBondContact OG-CA 3.37Å; S69-S92 WeakPolarHBondContact OG-CB 3.48Å; S69-S92 PolarHBondContact OG-O 2.92Å; S69-S92 VanDerWaalsContact OG-O 3.08Å; S69-S92 PolarHBondContact OG-OG 2.93Å; S69-W164 WeakPolarHBondContact OG-CZ2 3.38Å; S69-W164 PolarHBondContact OG-NE1 3.5Å
70S96.7Very high94.6Very high45 Ų4558.8 Ų58.832%0.31531%0.31SS..Hα-helixtrans-64.1-33.9176.9-53.60000112.6L66 M67 I73 S74L66-S70 PolarHBondContact O-N 3.24Å; L66-S70 PolarHBondContact O-OG 3.4Å; M67-S70 PolarHBondContact O-N 3.23Å; S70-I73 PolarHBondContact O-N 3.18Å; S70-S74 WeakPolarHBondContact O-CB 3.34Å; S70-S74 PolarHBondContact O-N 3.15Å; S70-S74 PolarHBondContact O-OG 3.47Å
71F96.4Very high93.3Very high131 Ų13159.7 Ų59.758%0.57533%0.33SS*.Hα-helixtrans-62.4-44.9171.4177.3-97.3000111.7M67 M68 S69 I73 S74 A75M67-F71 PolarHBondContact O-N 2.91Å; M68-F71 WeakPolarHBondContact O-CB 3.34Å; M68-F71 PolarHBondContact O-N 3.29Å; S69-F71 VanDerWaalsContact C-N 3.3Å; S69-F71 PolarHBondContact O-N 2.65Å; F71-I73 PolarHBondContact O-N 3.01Å; F71-S74 WeakPolarHBondContact O-CB 3.5Å; F71-S74 PolarHBondContact O-N 3.23Å; F71-A75 PolarHBondContact O-N 2.84Å
72F96.2Very high92.5Very high32 Ų3258.4 Ų58.414%0.1433%0.327CS..Hα-helixtrans-63.1-39.7176.1-64-42.6000112.3M68 S69 S74 A75 F76 F88 L91M68-F72 HydrophobicContact CB-CE2 4.38Å; M68-F72 HydrophobicContact CE-CE1 4.27Å; M68-F72 HydrophobicContact CE-CE2 4.44Å; M68-F72 HydrophobicContact CE-CZ 3.86Å; M68-F72 WeakPolarHBondContact O-CD2 3.25Å; M68-F72 WeakPolarHBondContact O-CG 3.43Å; M68-F72 PolarHBondContact O-N 3.42Å; S69-F72 PolarHBondContact O-N 2.94Å; S69-F72 VanDerWaalsContact O-N 3.13Å; F72-S74 VanDerWaalsContact C-N 3.34Å; F72-S74 PolarHBondContact O-N 3.36Å; F72-A75 CarbonylContact O-C 3.48Å; F72-A75 WeakPolarHBondContact O-CB 3.26Å; F72-A75 PolarHBondContact O-N 2.98Å; F72-F76 PolarHBondContact O-N 3.21Å; F72-F88 HydrophobicContact CB-CB 4.27Å; F72-F88 WeakPolarHBondContact CB-O 3.05Å; F72-F88 AromaticContact CD1-CD1 4Å; F72-F88 HydrophobicContact CD1-CD1 4Å; F72-F88 WeakPolarHBondContact O-CB 3.48Å; F72-L91 HydrophobicContact CD1-CB 4.43Å; F72-L91 HydrophobicContact CD1-CD1 4.28Å; F72-L91 HydrophobicContact CD2-CB 3.64Å; F72-L91 HydrophobicContact CE1-CD1 4.01Å; F72-L91 HydrophobicContact CE2-CB 3.74Å; F72-L91 HydrophobicContact CG-CB 4.02Å; F72-L91 HydrophobicContact CZ-CB 4.19Å; F72-L91 HydrophobicContact CZ-CD1 4.15Å
73I95.1Very high91.5Very high7 Ų761.9 Ų61.94%0.03635%0.35CS..Hα-helixtrans-65.5-37.4174.8-63.4-53.9000112.2S69 S70 F71 A75 F76 H77 S92 L141 L144 M161 W164S69-I73 PolarHBondContact O-N 3.07Å; S70-I73 PolarHBondContact O-N 3.18Å; F71-I73 PolarHBondContact O-N 3.01Å; I73-A75 VanDerWaalsContact C-N 3.34Å; I73-A75 PolarHBondContact O-N 2.61Å; I73-F76 WeakPolarHBondContact O-CB 3.44Å; I73-F76 PolarHBondContact O-N 3.23Å; I73-H77 PolarHBondContact O-N 3.01Å; I73-S92 WeakPolarHBondContact CD1-OG 3.37Å; I73-S92 VanDerWaalsContact CG1-OG 3.29Å; I73-S92 WeakPolarHBondContact CG1-OG 3.16Å; I73-L141 HydrophobicContact CD1-CD2 3.47Å; I73-L141 VanDerWaalsContact CD1-CD2 3.47Å; I73-L141 HydrophobicContact CG1-CD2 3.96Å; I73-L144 HydrophobicContact CD1-CD2 4.37Å; I73-M161 HydrophobicContact CG2-CB 4.13Å; I73-M161 HydrophobicContact CG2-CG 3.76Å; I73-W164 HydrophobicContact CG1-CG 4.44Å
74S94.2Very high90.8Very high78 Ų7865.1 Ų65.155%0.54536%0.357SS..Hα-helixtrans-64.5-38.9172.6-59.60000111.9S70 F71 F72 H77 S78S70-S74 WeakPolarHBondContact O-CB 3.34Å; S70-S74 PolarHBondContact O-N 3.15Å; S70-S74 PolarHBondContact O-OG 3.47Å; F71-S74 WeakPolarHBondContact O-CB 3.5Å; F71-S74 PolarHBondContact O-N 3.23Å; F72-S74 VanDerWaalsContact C-N 3.34Å; F72-S74 PolarHBondContact O-N 3.36Å; S74-H77 WeakPolarHBondContact O-CB 3.25Å; S74-H77 PolarHBondContact O-N 3.29Å; S74-S78 PolarHBondContact O-N 2.9Å; S74-S78 VanDerWaalsContact O-N 3.12Å
75A94.1Very high90.3Very high15 Ų1558.5 Ų58.512%0.12433%0.332CS..Hα-helixtrans-68.6-33.2173.500000112.7F71 F72 I73 S78 N79 F88F71-A75 PolarHBondContact O-N 2.84Å; F72-A75 CarbonylContact O-C 3.48Å; F72-A75 WeakPolarHBondContact O-CB 3.26Å; F72-A75 PolarHBondContact O-N 2.98Å; I73-A75 VanDerWaalsContact C-N 3.34Å; I73-A75 PolarHBondContact O-N 2.61Å; A75-S78 PolarHBondContact O-OG 3Å; A75-N79 WeakPolarHBondContact O-CB 3.3Å; A75-N79 PolarHBondContact O-N 3.36Å; A75-N79 PolarHBondContact O-ND2 2.9Å; A75-F88 HydrophobicContact CB-CD1 4Å; A75-F88 HydrophobicContact CB-CD2 4.12Å; A75-F88 HydrophobicContact CB-CE1 4.05Å; A75-F88 HydrophobicContact CB-CE2 4.16Å; A75-F88 HydrophobicContact CB-CG 4.04Å; A75-F88 HydrophobicContact CB-CZ 4.13Å
76F93.5Very high89.8Confident4 Ų461.9 Ų61.92%0.01834%0.343CS..Hα-helixtrans-63.4-44.8169.2165.4-104000110.9F72 I73 S78 N79 L80 G85 F88 V89 L144 F147 M161F72-F76 PolarHBondContact O-N 3.21Å; I73-F76 WeakPolarHBondContact O-CB 3.44Å; I73-F76 PolarHBondContact O-N 3.23Å; F76-S78 VanDerWaalsContact C-N 3.32Å; F76-S78 PolarHBondContact O-N 3.46Å; F76-N79 CarbonylContact O-C 3.56Å; F76-N79 VanDerWaalsContact O-C 3.26Å; F76-N79 WeakPolarHBondContact O-CA 3.43Å; F76-N79 PolarHBondContact O-N 3.05Å; F76-L80 HydrophobicContact CE1-CD2 3.83Å; F76-L80 HydrophobicContact CZ-CD2 3.78Å; F76-L80 PolarHBondContact O-N 3.47Å; F76-G85 WeakPolarHBondContact CD2-O 3.31Å; F76-F88 HydrophobicContact CB-CB 4.12Å; F76-V89 HydrophobicContact CB-CG2 4.14Å; F76-V89 HydrophobicContact CD1-CG2 4.15Å; F76-V89 HydrophobicContact CD2-CG2 3.53Å; F76-V89 HydrophobicContact CE1-CG2 4.48Å; F76-V89 HydrophobicContact CE2-CG2 3.89Å; F76-V89 HydrophobicContact CG-CG2 3.65Å; F76-V89 HydrophobicContact CZ-CG2 4.34Å; F76-L144 HydrophobicContact CD1-CD2 3.94Å; F76-L144 HydrophobicContact CE1-CD1 3.8Å; F76-L144 HydrophobicContact CE1-CD2 3.67Å; F76-L144 HydrophobicContact CE1-CG 3.85Å; F76-L144 HydrophobicContact CZ-CD1 4.01Å; F76-L144 HydrophobicContact CZ-CD2 4.35Å; F76-L144 HydrophobicContact CZ-CG 4.06Å; F76-F147 HydrophobicContact CZ-CB 4.22Å; F76-F147 HydrophobicContact CZ-CD1 4.27Å; F76-F147 HydrophobicContact CZ-CD2 4.06Å; F76-F147 AromaticContact CZ-CG 3.93Å; F76-F147 HydrophobicContact CZ-CG 3.93Å; F76-M161 HydrophobicContact CD1-SD 4.06Å; F76-M161 HydrophobicContact CE1-SD 4.13Å
77H91.9Very high89.6Confident91 Ų9165 Ų6542%0.42136%0.359SS..Hα-helixtrans-58-43.6178.6-169.567.3000112.1I73 S74 N79 L80 M161I73-H77 PolarHBondContact O-N 3.01Å; S74-H77 WeakPolarHBondContact O-CB 3.25Å; S74-H77 PolarHBondContact O-N 3.29Å; H77-N79 PolarHBondContact O-N 2.95Å; H77-L80 WeakPolarHBondContact O-CD1 3.46Å; H77-L80 VanDerWaalsContact O-CG 3.26Å; H77-L80 WeakPolarHBondContact O-CG 3.47Å; H77-M161 HydrophobicContact CB-SD 3.91Å; H77-M161 WeakPolarHBondContact ND1-CE 3.41Å; H77-M161 PolarHBondContact ND1-SD 3.44Å; H77-M161 VanDerWaalsContact ND1-SD 3.37Å
78S90.8Very high89.5Confident91 Ų9161.5 Ų61.564%0.63634%0.34SS*.Hα-helixtrans-69.4-21.9176.563.60000113.5S74 A75 F76S74-S78 PolarHBondContact O-N 2.9Å; S74-S78 VanDerWaalsContact O-N 3.12Å; A75-S78 PolarHBondContact O-OG 3Å; F76-S78 VanDerWaalsContact C-N 3.32Å; F76-S78 PolarHBondContact O-N 3.46Å
79N89.2Confident89.3Confident60 Ų6059 Ų5932%0.32133%0.328SS..THydrogen-bonded Turntrans-111.125.7-178.3-70.3-79.8000113.7A75 F76 H77 A81 S82A75-N79 WeakPolarHBondContact O-CB 3.3Å; A75-N79 PolarHBondContact O-N 3.36Å; A75-N79 PolarHBondContact O-ND2 2.9Å; F76-N79 CarbonylContact O-C 3.56Å; F76-N79 VanDerWaalsContact O-C 3.26Å; F76-N79 WeakPolarHBondContact O-CA 3.43Å; F76-N79 PolarHBondContact O-N 3.05Å; H77-N79 PolarHBondContact O-N 2.95Å; N79-A81 PolarHBondContact O-N 3.32Å; N79-S82 PolarHBondContact O-N 3.33Å
80L80.1Confident89.2Confident53 Ų5364.9 Ų64.928%0.27735%0.351SS..THydrogen-bonded Turntrans-51.2-25.9-176.3-85.7160.1000114.8F76 H77 F147F76-L80 HydrophobicContact CE1-CD2 3.83Å; F76-L80 HydrophobicContact CZ-CD2 3.78Å; F76-L80 PolarHBondContact O-N 3.47Å; H77-L80 WeakPolarHBondContact O-CD1 3.46Å; H77-L80 VanDerWaalsContact O-CG 3.26Å; H77-L80 WeakPolarHBondContact O-CG 3.47Å; L80-F147 HydrophobicContact CD2-CE1 3.97Å; L80-F147 HydrophobicContact CD2-CE2 3.82Å; L80-F147 HydrophobicContact CD2-CZ 3.46Å; L80-F147 VanDerWaalsContact CD2-CZ 3.46Å
81A67.9Low89.2Confident108 Ų10866.2 Ų66.289%0.89336%0.355SS*.THydrogen-bonded Turntrans-91.9-8.8179.500000114.6N79N79-A81 PolarHBondContact O-N 3.32Å
82S78.9Confident89.2Confident44 Ų4460 Ų6031%0.30833%0.327SS..SBendtrans-101.3143.7-172.9-173.80000112.4N79 K84 G85N79-S82 PolarHBondContact O-N 3.33Å; S82-K84 PolarHBondContact O-N 3.44Å; S82-K84 VanDerWaalsContact O-N 3.17Å; S82-K84 PolarHBondContact OG-N 2.91Å; S82-G85 PolarHBondContact O-N 2.92Å
83V77.1Confident89.2Confident93 Ų9359.9 Ų59.956%0.56433%0.328SS*.THydrogen-bonded Turntrans-56.6-28.8168.9-179.20000111.3G85 R86V83-G85 PolarHBondContact O-N 3.1Å; V83-R86 PolarHBondContact O-N 3.21Å
84K80.4Confident89.3Confident142 Ų14263.4 Ų63.462%0.61735%0.349SS*.THydrogen-bonded Turntrans-64.9-23.5175.8-63.9-175.2179.3-179.30113.1S82 R86 I87S82-K84 PolarHBondContact O-N 3.44Å; S82-K84 VanDerWaalsContact O-N 3.17Å; S82-K84 PolarHBondContact OG-N 2.91Å; K84-R86 PolarHBondContact O-N 3.36Å; K84-I87 WeakPolarHBondContact O-CB 3.27Å; K84-I87 PolarHBondContact O-N 3.34Å; K84-I87 VanDerWaalsContact O-N 3.11Å
85G86.3Confident89.5Confident1 Ų160.5 Ų60.51%0.0133%0.329CS..Hα-helixtrans-55.5-38.8177.400000112.4F76 S82 V83 I87 F88 V89F76-G85 WeakPolarHBondContact CD2-O 3.31Å; S82-G85 PolarHBondContact O-N 2.92Å; V83-G85 PolarHBondContact O-N 3.1Å; G85-I87 VanDerWaalsContact C-N 3.26Å; G85-I87 PolarHBondContact O-N 3.2Å; G85-F88 PolarHBondContact O-N 3.14Å; G85-V89 PolarHBondContact O-N 3.41Å
86R88Confident89.7Confident89 Ų8959.8 Ų59.834%0.33632%0.323SS..Hα-helixtrans-61-34.3179.9-65.6-169.8-64.6-1592.2113V83 K84 F88 V89 Y90 Q148V83-R86 PolarHBondContact O-N 3.21Å; K84-R86 PolarHBondContact O-N 3.36Å; R86-F88 VanDerWaalsContact C-N 3.3Å; R86-F88 PolarHBondContact O-N 2.96Å; R86-V89 PolarHBondContact O-N 3.39Å; R86-Y90 HydrophobicContact CB-CE2 4.19Å; R86-Y90 WeakPolarHBondContact O-CD2 3.45Å; R86-Y90 PolarHBondContact O-N 3.04Å; R86-Q148 VanDerWaalsContact CZ-OE1 3.25Å
87I92.6Very high89.9Confident100 Ų10064.1 Ų64.151%0.51335%0.346SS..Hα-helixtrans-61.4-42.5179.6-61.5173.3000110.1K84 G85 V89 Y90 L91K84-I87 WeakPolarHBondContact O-CB 3.27Å; K84-I87 PolarHBondContact O-N 3.34Å; K84-I87 VanDerWaalsContact O-N 3.11Å; G85-I87 VanDerWaalsContact C-N 3.26Å; G85-I87 PolarHBondContact O-N 3.2Å; I87-V89 VanDerWaalsContact C-N 3.34Å; I87-V89 PolarHBondContact O-N 3.48Å; I87-Y90 PolarHBondContact O-N 3.16Å; I87-L91 HydrophobicContact CG2-CD1 4.18Å; I87-L91 HydrophobicContact CG2-CG 4.41Å; I87-L91 WeakPolarHBondContact O-CG 3.29Å; I87-L91 PolarHBondContact O-N 3.19Å
88F94.7Very high90.2Very high54 Ų5463.5 Ų63.524%0.23735%0.345CS..Hα-helixtrans-64.4-38178.4-64.4-60.7000112.6F72 A75 F76 G85 R86 L91 S92F72-F88 HydrophobicContact CB-CB 4.27Å; F72-F88 WeakPolarHBondContact CB-O 3.05Å; F72-F88 AromaticContact CD1-CD1 4Å; F72-F88 HydrophobicContact CD1-CD1 4Å; F72-F88 WeakPolarHBondContact O-CB 3.48Å; A75-F88 HydrophobicContact CB-CD1 4Å; A75-F88 HydrophobicContact CB-CD2 4.12Å; A75-F88 HydrophobicContact CB-CE1 4.05Å; A75-F88 HydrophobicContact CB-CE2 4.16Å; A75-F88 HydrophobicContact CB-CG 4.04Å; A75-F88 HydrophobicContact CB-CZ 4.13Å; F76-F88 HydrophobicContact CB-CB 4.12Å; G85-F88 PolarHBondContact O-N 3.14Å; R86-F88 VanDerWaalsContact C-N 3.3Å; R86-F88 PolarHBondContact O-N 2.96Å; F88-L91 PolarHBondContact O-N 2.92Å; F88-S92 WeakPolarHBondContact O-CB 3.41Å; F88-S92 PolarHBondContact O-N 3.41Å
89V94.4Very high90.5Very high1 Ų159.4 Ų59.41%0.00632%0.316CS..Hα-helixtrans-63.6-42.2174.5-178.40000110.9F76 G85 R86 I87 S92 L93 L141 L144F76-V89 HydrophobicContact CB-CG2 4.14Å; F76-V89 HydrophobicContact CD1-CG2 4.15Å; F76-V89 HydrophobicContact CD2-CG2 3.53Å; F76-V89 HydrophobicContact CE1-CG2 4.48Å; F76-V89 HydrophobicContact CE2-CG2 3.89Å; F76-V89 HydrophobicContact CG-CG2 3.65Å; F76-V89 HydrophobicContact CZ-CG2 4.34Å; G85-V89 PolarHBondContact O-N 3.41Å; R86-V89 PolarHBondContact O-N 3.39Å; I87-V89 VanDerWaalsContact C-N 3.34Å; I87-V89 PolarHBondContact O-N 3.48Å; V89-S92 PolarHBondContact O-N 3.08Å; V89-L93 WeakPolarHBondContact O-CB 3.39Å; V89-L93 PolarHBondContact O-N 3.37Å; V89-L141 WeakPolarHBondContact CG1-O 3.31Å; V89-L144 HydrophobicContact CG1-CB 4.2Å; V89-L144 HydrophobicContact CG1-CD2 4.5Å; V89-L144 HydrophobicContact CG1-CG 4.44Å; V89-L144 HydrophobicContact CG2-CD2 4.12Å; V89-L144 HydrophobicContact CG2-CG 4.23Å
90Y94.6Very high91Very high123 Ų12358 Ų5848%0.48231%0.308SS..Hα-helixtrans-64.2-41.8175.8-70.6-60.2000112.7R86 I87 S92 L93 V94R86-Y90 HydrophobicContact CB-CE2 4.19Å; R86-Y90 WeakPolarHBondContact O-CD2 3.45Å; R86-Y90 PolarHBondContact O-N 3.04Å; I87-Y90 PolarHBondContact O-N 3.16Å; Y90-S92 VanDerWaalsContact C-N 3.34Å; Y90-L93 PolarHBondContact O-N 3.3Å; Y90-V94 WeakPolarHBondContact O-CG2 3.49Å; Y90-V94 PolarHBondContact O-N 3.11Å
91L96.4Very high91.8Very high74 Ų7461.7 Ų61.739%0.38732%0.322SS..Hα-helixtrans-62.1-43.4175.6-69.3173.1000111.5F72 I87 F88 V94 C95F72-L91 HydrophobicContact CD1-CB 4.43Å; F72-L91 HydrophobicContact CD1-CD1 4.28Å; F72-L91 HydrophobicContact CD2-CB 3.64Å; F72-L91 HydrophobicContact CE1-CD1 4.01Å; F72-L91 HydrophobicContact CE2-CB 3.74Å; F72-L91 HydrophobicContact CG-CB 4.02Å; F72-L91 HydrophobicContact CZ-CB 4.19Å; F72-L91 HydrophobicContact CZ-CD1 4.15Å; I87-L91 HydrophobicContact CG2-CD1 4.18Å; I87-L91 HydrophobicContact CG2-CG 4.41Å; I87-L91 WeakPolarHBondContact O-CG 3.29Å; I87-L91 PolarHBondContact O-N 3.19Å; F88-L91 PolarHBondContact O-N 2.92Å; L91-V94 PolarHBondContact O-N 2.95Å; L91-C95 PolarHBondContact O-N 2.98Å; L91-C95 PolarHBondContact O-SG 2.75Å; L91-C95 VanDerWaalsContact O-SG 3.39Å
92S96.9Very high93.2Very high0 Ų059.2 Ų59.20%029%0.291CS..Hα-helixtrans-59.5-44.3174.5171.90000112.3S69 I73 F88 V89 Y90 C95 S96 L141S69-S92 WeakPolarHBondContact OG-CA 3.37Å; S69-S92 WeakPolarHBondContact OG-CB 3.48Å; S69-S92 PolarHBondContact OG-O 2.92Å; S69-S92 VanDerWaalsContact OG-O 3.08Å; S69-S92 PolarHBondContact OG-OG 2.93Å; I73-S92 WeakPolarHBondContact CD1-OG 3.37Å; I73-S92 VanDerWaalsContact CG1-OG 3.29Å; I73-S92 WeakPolarHBondContact CG1-OG 3.16Å; F88-S92 WeakPolarHBondContact O-CB 3.41Å; F88-S92 PolarHBondContact O-N 3.41Å; V89-S92 PolarHBondContact O-N 3.08Å; Y90-S92 VanDerWaalsContact C-N 3.34Å; S92-C95 WeakPolarHBondContact O-CB 3.27Å; S92-C95 PolarHBondContact O-N 3.28Å; S92-S96 PolarHBondContact O-N 3.31Å; S92-L141 VanDerWaalsContact OG-CD1 3.25Å; S92-L141 WeakPolarHBondContact OG-CD1 3.44Å
93L96.9Very high94Very high30 Ų3057.3 Ų57.316%0.15728%0.278CS..Hα-helixtrans-64.8-39176.8-174149.6000112.1V89 Y90 S96 L97 Y142V89-L93 WeakPolarHBondContact O-CB 3.39Å; V89-L93 PolarHBondContact O-N 3.37Å; Y90-L93 PolarHBondContact O-N 3.3Å; L93-S96 PolarHBondContact O-N 2.94Å; L93-S96 PolarHBondContact O-OG 2.98Å; L93-L97 HydrophobicContact CD2-CD1 3.6Å; L93-L97 HydrophobicContact CD2-CG 4.15Å; L93-L97 WeakPolarHBondContact O-CG 3.44Å; L93-L97 PolarHBondContact O-N 2.94Å; L93-Y142 HydrophobicContact CD1-CD2 4.26Å
94V97.6Very high94.9Very high80 Ų8055.8 Ų55.849%0.48527%0.269SS..Hα-helixtrans-64-44.3174.3171.50000110.7Y90 L91 S96 L97 L98Y90-V94 WeakPolarHBondContact O-CG2 3.49Å; Y90-V94 PolarHBondContact O-N 3.11Å; L91-V94 PolarHBondContact O-N 2.95Å; V94-S96 VanDerWaalsContact C-N 3.3Å; V94-S96 PolarHBondContact O-N 3.22Å; V94-L97 PolarHBondContact O-N 2.86Å; V94-L98 HydrophobicContact CG1-CD1 4.24Å; V94-L98 WeakPolarHBondContact O-CG 3.46Å; V94-L98 PolarHBondContact O-N 3.09Å
95C98Very high95.6Very high17 Ų1751.8 Ų51.812%0.11525%0.254CS..Hα-helixtrans-59.5-40174.8-71.40000112.2L91 S92 L98 F99L91-C95 PolarHBondContact O-N 2.98Å; L91-C95 PolarHBondContact O-SG 2.75Å; L91-C95 VanDerWaalsContact O-SG 3.39Å; S92-C95 WeakPolarHBondContact O-CB 3.27Å; S92-C95 PolarHBondContact O-N 3.28Å; C95-L98 PolarHBondContact O-N 3.2Å; C95-F99 PolarHBondContact O-N 3.44Å
96S97.6Very high96Very high0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-69.4-38.4178.777.50000113S92 L93 V94 F99 I100 S138S92-S96 PolarHBondContact O-N 3.31Å; L93-S96 PolarHBondContact O-N 2.94Å; L93-S96 PolarHBondContact O-OG 2.98Å; V94-S96 VanDerWaalsContact C-N 3.3Å; V94-S96 PolarHBondContact O-N 3.22Å; S96-F99 WeakPolarHBondContact O-CB 3.28Å; S96-F99 PolarHBondContact O-N 2.79Å; S96-I100 VanDerWaalsContact O-CG1 3.31Å; S96-I100 WeakPolarHBondContact O-CG1 3.47Å; S96-I100 PolarHBondContact O-N 3.21Å; S96-S138 VanDerWaalsContact CB-OG 3.27Å; S96-S138 WeakPolarHBondContact CB-OG 3.35Å; S96-S138 PolarHBondContact OG-OG 3.33Å
97L97.6Very high96.2Very high96 Ų9651.1 Ų51.150%0.50325%0.254SS..Hα-helixtrans-65.5-39.9174.6-69.9177.4000112.1L93 V94 I100 F101L93-L97 HydrophobicContact CD2-CD1 3.6Å; L93-L97 HydrophobicContact CD2-CG 4.15Å; L93-L97 WeakPolarHBondContact O-CG 3.44Å; L93-L97 PolarHBondContact O-N 2.94Å; V94-L97 PolarHBondContact O-N 2.86Å; L97-I100 PolarHBondContact O-N 3.43Å; L97-F101 PolarHBondContact O-N 3.08Å
98L98Very high96.2Very high77 Ų7752.9 Ų52.940%0.40326%0.264SS..Hα-helixtrans-63.2-42.9173.5-71.4174000111.3L65 V94 C95 I100 F101 F102L65-L98 HydrophobicContact CD1-CB 3.96Å; L65-L98 HydrophobicContact CD2-CB 4.28Å; L65-L98 HydrophobicContact CD2-CD1 4.23Å; V94-L98 HydrophobicContact CG1-CD1 4.24Å; V94-L98 WeakPolarHBondContact O-CG 3.46Å; V94-L98 PolarHBondContact O-N 3.09Å; C95-L98 PolarHBondContact O-N 3.2Å; L98-I100 PolarHBondContact O-N 3.46Å; L98-F101 PolarHBondContact O-N 2.99Å; L98-F102 WeakPolarHBondContact O-CD2 3.42Å; L98-F102 PolarHBondContact O-N 3.23Å
99F98.1Very high96.1Very high6 Ų655.6 Ų55.63%0.02628%0.281CS..Hα-helixtrans-57.2-49173.2171.9-83000111.3E62 L66 C95 S96 F101 F102 A103 H130 L131 V134E62-F99 HydrophobicContact CB-CD2 3.67Å; E62-F99 HydrophobicContact CB-CE2 3.7Å; E62-F99 HydrophobicContact CG-CD2 3.98Å; E62-F99 HydrophobicContact CG-CE2 4.12Å; L66-F99 HydrophobicContact CD1-CD2 3.62Å; L66-F99 HydrophobicContact CD1-CE1 4.5Å; L66-F99 HydrophobicContact CD1-CE2 3.36Å; L66-F99 HydrophobicContact CD1-CG 4.3Å; L66-F99 HydrophobicContact CD1-CZ 3.88Å; L66-F99 HydrophobicContact CD2-CB 4.47Å; L66-F99 HydrophobicContact CD2-CD2 4.14Å; L66-F99 HydrophobicContact CD2-CG 4.1Å; L66-F99 HydrophobicContact CG-CD2 3.54Å; L66-F99 HydrophobicContact CG-CE2 3.87Å; L66-F99 HydrophobicContact CG-CG 4.01Å; C95-F99 PolarHBondContact O-N 3.44Å; S96-F99 WeakPolarHBondContact O-CB 3.28Å; S96-F99 PolarHBondContact O-N 2.79Å; F99-F101 VanDerWaalsContact C-N 3.28Å; F99-F101 PolarHBondContact O-N 3.32Å; F99-F102 PolarHBondContact O-N 3.41Å; F99-A103 HydrophobicContact CE1-CB 4.13Å; F99-A103 HydrophobicContact CZ-CB 4.39Å; F99-A103 WeakPolarHBondContact O-CB 3.34Å; F99-A103 PolarHBondContact O-N 3.45Å; F99-H130 AromaticContact CZ-CE1 3.44Å; F99-H130 VanDerWaalsContact CZ-CE1 3.44Å; F99-H130 WeakPolarHBondContact CZ-CE1 3.43Å; F99-H130 AromaticContact CZ-ND1 3.75Å; F99-L131 HydrophobicContact CE1-CD1 4.28Å; F99-V134 HydrophobicContact CD1-CB 4.22Å; F99-V134 HydrophobicContact CD1-CG1 3.59Å; F99-V134 HydrophobicContact CD1-CG2 4.27Å; F99-V134 HydrophobicContact CE1-CB 3.99Å; F99-V134 HydrophobicContact CE1-CG1 3.89Å; F99-V134 HydrophobicContact CE1-CG2 3.77Å; F99-V134 HydrophobicContact CZ-CG2 4.34Å
100I98.1Very high96Very high30 Ų3056.7 Ų56.715%0.15429%0.289CS..Hα-helixtrans-59.7-41.2-179.9-69.2161.8000110.8S96 L97 L98 A103 V104 L131 V134 I135S96-I100 VanDerWaalsContact O-CG1 3.31Å; S96-I100 WeakPolarHBondContact O-CG1 3.47Å; S96-I100 PolarHBondContact O-N 3.21Å; L97-I100 PolarHBondContact O-N 3.43Å; L98-I100 PolarHBondContact O-N 3.46Å; I100-A103 PolarHBondContact O-N 3.16Å; I100-V104 HydrophobicContact CG2-CG2 4.46Å; I100-V104 WeakPolarHBondContact O-CB 3.43Å; I100-V104 VanDerWaalsContact O-CG2 3.27Å; I100-V104 WeakPolarHBondContact O-CG2 3.3Å; I100-V104 PolarHBondContact O-N 3.26Å; I100-L131 HydrophobicContact CB-CD1 4.44Å; I100-L131 HydrophobicContact CG1-CD1 4.17Å; I100-L131 HydrophobicContact CG2-CD1 4.32Å; I100-V134 HydrophobicContact CD1-CG1 4.42Å; I100-V134 HydrophobicContact CG1-CG1 4.1Å; I100-I135 HydrophobicContact CD1-CG1 3.86Å; I100-I135 HydrophobicContact CG1-CG1 4.11Å; I100-I135 HydrophobicContact CG2-CG1 4.46Å
101F97.5Very high95.8Very high131 Ų13157.4 Ų57.458%0.57531%0.306SS*.Hα-helixtrans-60.9-50.9176.9174.6-95.7000112.1L97 L98 F99 A103 V104 D105L97-F101 PolarHBondContact O-N 3.08Å; L98-F101 PolarHBondContact O-N 2.99Å; F99-F101 VanDerWaalsContact C-N 3.28Å; F99-F101 PolarHBondContact O-N 3.32Å; F101-A103 PolarHBondContact O-N 2.85Å; F101-V104 PolarHBondContact O-N 2.99Å; F101-D105 PolarHBondContact O-N 3.14Å
102F97.1Very high95.6Very high55 Ų5555.1 Ų55.124%0.24130%0.295CS..Hα-helixtrans-64.1-39.6178.6-75.2-60.8000112.4I58 L61 E62 L65 L98 F99 V104 D105 E106I58-F102 HydrophobicContact CG2-CB 3.85Å; I58-F102 HydrophobicContact CG2-CD1 4.34Å; I58-F102 HydrophobicContact CG2-CG 4.37Å; L61-F102 HydrophobicContact CD2-CD2 4.21Å; L61-F102 HydrophobicContact CD2-CE1 4.15Å; L61-F102 HydrophobicContact CD2-CE2 3.78Å; L61-F102 HydrophobicContact CD2-CZ 3.75Å; E62-F102 HydrophobicContact CG-CB 3.97Å; L65-F102 HydrophobicContact CD1-CD2 3.82Å; L65-F102 HydrophobicContact CD1-CE2 4.09Å; L98-F102 WeakPolarHBondContact O-CD2 3.42Å; L98-F102 PolarHBondContact O-N 3.23Å; F99-F102 PolarHBondContact O-N 3.41Å; F102-V104 PolarHBondContact O-N 3.07Å; F102-D105 PolarHBondContact O-N 2.96Å; F102-E106 WeakPolarHBondContact O-CB 3.45Å; F102-E106 PolarHBondContact O-N 3.41Å
103A96.4Very high95.3Very high4 Ų459.2 Ų59.23%0.03332%0.316CS..Hα-helixtrans-63.5-44.817900000110.7E62 F99 I100 F101 E106 F107 L131E62-A103 WeakPolarHBondContact OE1-CA 3.44Å; E62-A103 PolarHBondContact OE1-N 3.02Å; F99-A103 HydrophobicContact CE1-CB 4.13Å; F99-A103 HydrophobicContact CZ-CB 4.39Å; F99-A103 WeakPolarHBondContact O-CB 3.34Å; F99-A103 PolarHBondContact O-N 3.45Å; I100-A103 PolarHBondContact O-N 3.16Å; F101-A103 PolarHBondContact O-N 2.85Å; A103-E106 PolarHBondContact O-N 3.43Å; A103-F107 WeakPolarHBondContact O-CD2 3.47Å; A103-F107 PolarHBondContact O-N 3.47Å; A103-L131 HydrophobicContact CB-CD1 3.86Å
104V96.2Very high95.1Very high61 Ų6159.8 Ų59.837%0.3732%0.323SS..Hα-helixtrans-63.8-41176172.50000111.3I100 F101 F102 F107 L108 L131I100-V104 HydrophobicContact CG2-CG2 4.46Å; I100-V104 WeakPolarHBondContact O-CB 3.43Å; I100-V104 VanDerWaalsContact O-CG2 3.27Å; I100-V104 WeakPolarHBondContact O-CG2 3.3Å; I100-V104 PolarHBondContact O-N 3.26Å; F101-V104 PolarHBondContact O-N 2.99Å; F102-V104 PolarHBondContact O-N 3.07Å; V104-F107 PolarHBondContact O-N 3.29Å; V104-L108 HydrophobicContact CG1-CD1 3.96Å; V104-L108 HydrophobicContact CG1-CG 4.4Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.19Å; V104-L108 PolarHBondContact O-N 2.78Å; V104-L131 HydrophobicContact CG2-CD2 4.09Å
105D94.9Very high94.8Very high58 Ų5863.2 Ų63.231%0.3134%0.338SS..Hα-helixtrans-61.3-43175.1-172.376.1000111.8F101 F102 F107 L108 N109F101-D105 PolarHBondContact O-N 3.14Å; F102-D105 PolarHBondContact O-N 2.96Å; D105-F107 PolarHBondContact O-N 3.46Å; D105-L108 PolarHBondContact O-N 2.87Å; D105-N109 WeakPolarHBondContact O-CB 3.4Å; D105-N109 PolarHBondContact O-N 3.43Å; D105-N109 PolarHBondContact O-ND2 3.33Å; D105-N109 PolarHBondContact OD1-ND2 3.11Å; D105-N109 PolarHBondContact OD2-ND2 2.9Å; D105-N109 VanDerWaalsContact OD2-ND2 3.09Å
106E94Very high94.3Very high25 Ų2567 Ų6712%0.11736%0.363CS..Hα-helixtrans-61.4-43.7174.5176.8167.8144.300112S53 P59 F102 A103 L108 N109 S110S53-E106 WeakPolarHBondContact CB-OE1 3.42Å; S53-E106 WeakPolarHBondContact CB-OE2 3.44Å; S53-E106 VanDerWaalsContact OG-CD 3.24Å; S53-E106 PolarHBondContact OG-OE1 3.1Å; S53-E106 PolarHBondContact OG-OE2 3.45Å; P59-E106 WeakPolarHBondContact CD-OE2 3.31Å; P59-E106 WeakPolarHBondContact CG-OE2 3.17Å; F102-E106 WeakPolarHBondContact O-CB 3.45Å; F102-E106 PolarHBondContact O-N 3.41Å; A103-E106 PolarHBondContact O-N 3.43Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 2.93Å; E106-N109 PolarHBondContact O-N 3.28Å; E106-S110 PolarHBondContact O-N 3.06Å; E106-S110 VanDerWaalsContact O-N 3.09Å
107F92.3Very high94.1Very high51 Ų5168.5 Ų68.522%0.22437%0.372CS..Hα-helixtrans-59.1-42.4175.9-92.2-75.6000112.4A103 V104 D105 F124 V127 L131A103-F107 WeakPolarHBondContact O-CD2 3.47Å; A103-F107 PolarHBondContact O-N 3.47Å; V104-F107 PolarHBondContact O-N 3.29Å; D105-F107 PolarHBondContact O-N 3.46Å; F107-F124 AromaticContact CD1-CD1 3.51Å; F107-F124 HydrophobicContact CD1-CD1 3.51Å; F107-F124 AromaticContact CD1-CE1 3.66Å; F107-F124 HydrophobicContact CD1-CE1 3.66Å; F107-F124 AromaticContact CE1-CD1 3.47Å; F107-F124 HydrophobicContact CE1-CD1 3.47Å; F107-F124 VanDerWaalsContact CE1-CD1 3.47Å; F107-F124 HydrophobicContact CE1-CE1 4.07Å; F107-F124 HydrophobicContact CE1-CG 4.38Å; F107-V127 HydrophobicContact CE1-CB 4.45Å; F107-V127 HydrophobicContact CE1-CG1 4.47Å; F107-V127 HydrophobicContact CE2-CB 4.22Å; F107-V127 HydrophobicContact CE2-CG1 3.49Å; F107-V127 VanDerWaalsContact CE2-CG1 3.49Å; F107-V127 HydrophobicContact CZ-CB 3.6Å; F107-V127 HydrophobicContact CZ-CG1 3.41Å; F107-V127 VanDerWaalsContact CZ-CG1 3.41Å; F107-L131 HydrophobicContact CD2-CD2 4.1Å; F107-L131 HydrophobicContact CE2-CB 4.48Å; F107-L131 HydrophobicContact CE2-CD2 3.95Å
108L93.1Very high93.9Very high138 Ų13866.9 Ų66.972%0.72337%0.367SS*.Hα-helixtrans-77.3-33.2-176.6-67.7175.4000112.7V104 D105 E106V104-L108 HydrophobicContact CG1-CD1 3.96Å; V104-L108 HydrophobicContact CG1-CG 4.4Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.19Å; V104-L108 PolarHBondContact O-N 2.78Å; D105-L108 PolarHBondContact O-N 2.87Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 2.93Å
109N92.6Very high93.8Very high110 Ų11064.8 Ų64.859%0.58835%0.353SS*.Hα-helixtrans-95.17.4-178-65.8-51.9000113.9D105 E106 V111D105-N109 WeakPolarHBondContact O-CB 3.4Å; D105-N109 PolarHBondContact O-N 3.43Å; D105-N109 PolarHBondContact O-ND2 3.33Å; D105-N109 PolarHBondContact OD1-ND2 3.11Å; D105-N109 PolarHBondContact OD2-ND2 2.9Å; D105-N109 VanDerWaalsContact OD2-ND2 3.09Å; E106-N109 PolarHBondContact O-N 3.28Å; N109-V111 PolarHBondContact O-N 3.41Å
110S92.1Very high93.7Very high25 Ų2565.9 Ų65.918%0.17536%0.358CS..  trans-58.6136.4175.8166.50000112E106 V112 F124E106-S110 PolarHBondContact O-N 3.06Å; E106-S110 VanDerWaalsContact O-N 3.09Å; S110-V112 PolarHBondContact O-N 3.2Å; S110-V112 WeakPolarHBondContact OG-CG2 3.44Å; S110-V112 PolarHBondContact OG-N 2.87Å; S110-V112 VanDerWaalsContact OG-N 3.14Å; S110-V112 PolarHBondContact OG-O 3.04Å; S110-F124 WeakPolarHBondContact OG-CZ 3.23Å
111V91.5Very high93.5Very high138 Ų13865.9 Ų65.984%0.83636%0.362SS*.SBendtrans-70.6-21.8176.5-176.70000112N109N109-V111 PolarHBondContact O-N 3.41Å
112V91.9Very high93.4Very high26 Ų2659.8 Ų59.816%0.15834%0.336CS..SBendtrans-112.8153.8-176.8-660000110.9I52 S110 Y120 F124I52-V112 HydrophobicContact CB-CG2 4.48Å; I52-V112 HydrophobicContact CG1-CG2 3.98Å; S110-V112 PolarHBondContact O-N 3.2Å; S110-V112 WeakPolarHBondContact OG-CG2 3.44Å; S110-V112 PolarHBondContact OG-N 2.87Å; S110-V112 VanDerWaalsContact OG-N 3.14Å; S110-V112 PolarHBondContact OG-O 3.04Å; V112-Y120 HydrophobicContact CB-CD1 3.93Å; V112-Y120 HydrophobicContact CB-CD2 4.38Å; V112-Y120 HydrophobicContact CB-CE1 3.87Å; V112-Y120 HydrophobicContact CB-CE2 4.33Å; V112-Y120 HydrophobicContact CB-CG 4.2Å; V112-Y120 HydrophobicContact CG1-CD1 4.31Å; V112-Y120 HydrophobicContact CG1-CE1 3.72Å; V112-Y120 HydrophobicContact CG1-CE2 4.14Å; V112-Y120 HydrophobicContact CG2-CD1 3.65Å; V112-Y120 HydrophobicContact CG2-CE1 3.76Å; V112-Y120 HydrophobicContact CG2-CG 4.29Å; V112-F124 HydrophobicContact CG2-CE2 4.1Å; V112-F124 VanDerWaalsContact O-CZ 3.3Å; V112-F124 WeakPolarHBondContact O-CZ 3.44Å
113N90.9Very high93.3Very high85 Ų8558 Ų5846%0.45533%0.33SS..  trans-115.2148.2177.5-167.69.3000111L115 C116N113-L115 PolarHBondContact O-N 3.43Å; N113-C116 PolarHBondContact O-N 2.92Å
114S91.6Very high93.3Very high42 Ų4259.1 Ų59.129%0.29433%0.334SS..THydrogen-bonded Turntrans-62-25.6-178.461.90000113.5C116 A121S114-C116 VanDerWaalsContact C-N 3.35Å; S114-C116 PolarHBondContact O-N 3.19Å; S114-A121 WeakPolarHBondContact O-CB 3.39Å; S114-A121 PolarHBondContact O-N 2.97Å
115L92.3Very high93.3Very high153 Ų15361.2 Ų61.280%0.80134%0.341SS*.THydrogen-bonded Turntrans-80.7-10.4-177-61.1176.2000114.2N113N113-L115 PolarHBondContact O-N 3.43Å
116C87.4Confident93.4Very high96 Ų9660.1 Ų60.165%0.64934%0.335SS*.SBendtrans-81.9-35.7-170.4-660000114N113 S114 Y120N113-C116 PolarHBondContact O-N 2.92Å; S114-C116 VanDerWaalsContact C-N 3.35Å; S114-C116 PolarHBondContact O-N 3.19Å; C116-Y120 HydrophobicContact CB-CD2 4.4Å
117D92Very high93.4Very high32 Ų3261.4 Ų61.417%0.17134%0.344CS..  trans-154.8144.7-175.9-170.8-82.8000110.1K46 Y119 Y120 A121K46-D117 IonicContact NZ-OD2 3.19Å; K46-D117 PolarHBondContact NZ-OD2 3.08Å; D117-Y119 PolarHBondContact O-N 3.48Å; D117-Y119 WeakPolarHBondContact OD1-CB 3.4Å; D117-Y119 PolarHBondContact OD1-N 2.78Å; D117-Y120 HydrophobicContact CB-CD2 3.71Å; D117-Y120 HydrophobicContact CB-CE2 4.17Å; D117-Y120 PolarHBondContact O-N 2.95Å; D117-A121 PolarHBondContact O-N 3.32Å
118P94.5Very high93.6Very high61 Ų6160.3 Ų60.340%0.39635%0.348SS..Hα-helixtrans-56.4-29176.922.8-36000113.9Y44 A121 S122Y44-P118 HydrophobicContact CD1-CB 3.84Å; Y44-P118 HydrophobicContact CD1-CG 3.75Å; Y44-P118 HydrophobicContact CD2-CB 4.03Å; Y44-P118 HydrophobicContact CE1-CB 4.05Å; Y44-P118 HydrophobicContact CE1-CG 4.17Å; Y44-P118 HydrophobicContact CE2-CB 4.24Å; Y44-P118 HydrophobicContact CG-CB 3.83Å; Y44-P118 HydrophobicContact CG-CG 4.08Å; P118-A121 PolarHBondContact O-N 3.46Å; P118-S122 WeakPolarHBondContact O-CB 3.31Å; P118-S122 PolarHBondContact O-N 3.41Å; P118-S122 PolarHBondContact O-OG 3.34Å
119Y95.2Very high93.8Very high33 Ų3355.7 Ų55.713%0.12932%0.323CS..Hα-helixtrans-59.4-52.9171.9173.8-105.9000111.2C41 I45 D117 A121 S122 C123C41-Y119 WeakPolarHBondContact O-CD2 3.4Å; I45-Y119 HydrophobicContact CB-CD2 4.07Å; I45-Y119 HydrophobicContact CB-CE2 3.96Å; I45-Y119 HydrophobicContact CD1-CE2 4.21Å; I45-Y119 HydrophobicContact CG1-CD2 4.28Å; I45-Y119 HydrophobicContact CG1-CE2 3.8Å; D117-Y119 PolarHBondContact O-N 3.48Å; D117-Y119 WeakPolarHBondContact OD1-CB 3.4Å; D117-Y119 PolarHBondContact OD1-N 2.78Å; Y119-A121 VanDerWaalsContact C-N 3.35Å; Y119-A121 PolarHBondContact O-N 3.02Å; Y119-S122 PolarHBondContact O-N 3.32Å; Y119-S122 PolarHBondContact O-OG 2.93Å; Y119-C123 PolarHBondContact O-N 3.4Å; Y119-C123 PolarHBondContact O-SG 3.3Å; Y119-C123 VanDerWaalsContact O-SG 3.37Å
120Y95.2Very high94Very high30 Ų3054 Ų5412%0.11831%0.312CS..Hα-helixtrans-63.7-42.2178.7-61.7-55.2000111V50 V112 C116 D117 S122 C123 F124V50-Y120 PolarHBondContact N-OH 2.94Å; V50-Y120 VanDerWaalsContact N-OH 3.17Å; V50-Y120 WeakPolarHBondContact O-CE1 3.25Å; V112-Y120 HydrophobicContact CB-CD1 3.93Å; V112-Y120 HydrophobicContact CB-CD2 4.38Å; V112-Y120 HydrophobicContact CB-CE1 3.87Å; V112-Y120 HydrophobicContact CB-CE2 4.33Å; V112-Y120 HydrophobicContact CB-CG 4.2Å; V112-Y120 HydrophobicContact CG1-CD1 4.31Å; V112-Y120 HydrophobicContact CG1-CE1 3.72Å; V112-Y120 HydrophobicContact CG1-CE2 4.14Å; V112-Y120 HydrophobicContact CG2-CD1 3.65Å; V112-Y120 HydrophobicContact CG2-CE1 3.76Å; V112-Y120 HydrophobicContact CG2-CG 4.29Å; C116-Y120 HydrophobicContact CB-CD2 4.4Å; D117-Y120 HydrophobicContact CB-CD2 3.71Å; D117-Y120 HydrophobicContact CB-CE2 4.17Å; D117-Y120 PolarHBondContact O-N 2.95Å; Y120-S122 VanDerWaalsContact C-N 3.3Å; Y120-S122 PolarHBondContact O-N 3.35Å; Y120-C123 PolarHBondContact O-N 3.26Å; Y120-F124 WeakPolarHBondContact O-CB 3.44Å; Y120-F124 VanDerWaalsContact O-CD2 3.26Å; Y120-F124 WeakPolarHBondContact O-CD2 3.45Å; Y120-F124 PolarHBondContact O-N 2.98Å
121A95.1Very high94.2Very high30 Ų3053.8 Ų53.825%0.24831%0.309CS..Hα-helixtrans-53.6-47.817400000111.8S114 D117 P118 Y119 M125S114-A121 WeakPolarHBondContact O-CB 3.39Å; S114-A121 PolarHBondContact O-N 2.97Å; D117-A121 PolarHBondContact O-N 3.32Å; P118-A121 PolarHBondContact O-N 3.46Å; Y119-A121 VanDerWaalsContact C-N 3.35Å; Y119-A121 PolarHBondContact O-N 3.02Å; A121-M125 WeakPolarHBondContact O-CB 3.49Å; A121-M125 VanDerWaalsContact O-CG 3.26Å; A121-M125 WeakPolarHBondContact O-CG 3.34Å; A121-M125 PolarHBondContact O-N 2.97Å
122S95.7Very high94.5Very high3 Ų349.5 Ų49.52%0.02129%0.285CS..Hα-helixtrans-63.2-42.2178.263.80000113.1C41 P118 Y119 Y120 M125 L126C41-S122 WeakPolarHBondContact CA-OG 3.26Å; C41-S122 PolarHBondContact SG-OG 3.06Å; P118-S122 WeakPolarHBondContact O-CB 3.31Å; P118-S122 PolarHBondContact O-N 3.41Å; P118-S122 PolarHBondContact O-OG 3.34Å; Y119-S122 PolarHBondContact O-N 3.32Å; Y119-S122 PolarHBondContact O-OG 2.93Å; Y120-S122 VanDerWaalsContact C-N 3.3Å; Y120-S122 PolarHBondContact O-N 3.35Å; S122-M125 PolarHBondContact O-N 2.99Å; S122-L126 WeakPolarHBondContact O-CB 3.36Å; S122-L126 PolarHBondContact O-N 2.96Å
123C95.2Very high94.8Very high17 Ų1749.7 Ų49.712%0.11528%0.284CS..Hα-helixtrans-67.7-44.4178.2-66.40000112.3C41 I52 Y119 Y120 M125 L126 V127C41-C123 VanDerWaalsContact SG-SG 3.67Å; I52-C123 HydrophobicContact CD1-CB 3.34Å; I52-C123 HydrophobicContact CG1-CB 4.33Å; Y119-C123 PolarHBondContact O-N 3.4Å; Y119-C123 PolarHBondContact O-SG 3.3Å; Y119-C123 VanDerWaalsContact O-SG 3.37Å; Y120-C123 PolarHBondContact O-N 3.26Å; C123-M125 VanDerWaalsContact C-N 3.34Å; C123-M125 PolarHBondContact O-N 3.13Å; C123-L126 PolarHBondContact O-N 3.42Å; C123-V127 WeakPolarHBondContact O-CG2 3.47Å; C123-V127 PolarHBondContact O-N 3.42Å
124F95.7Very high95.1Very high28 Ų2846.1 Ų46.112%0.12327%0.265CS..Hα-helixtrans-62.9-38.9175.2-87.2-88.1000111.8I52 F107 S110 V112 Y120 G128I52-F124 HydrophobicContact CD1-CD2 3.89Å; I52-F124 HydrophobicContact CD1-CE2 3.99Å; I52-F124 HydrophobicContact CD1-CG 4.4Å; I52-F124 HydrophobicContact CG1-CE2 4.31Å; I52-F124 HydrophobicContact CG2-CZ 4.35Å; F107-F124 AromaticContact CD1-CD1 3.51Å; F107-F124 HydrophobicContact CD1-CD1 3.51Å; F107-F124 AromaticContact CD1-CE1 3.66Å; F107-F124 HydrophobicContact CD1-CE1 3.66Å; F107-F124 AromaticContact CE1-CD1 3.47Å; F107-F124 HydrophobicContact CE1-CD1 3.47Å; F107-F124 VanDerWaalsContact CE1-CD1 3.47Å; F107-F124 HydrophobicContact CE1-CE1 4.07Å; F107-F124 HydrophobicContact CE1-CG 4.38Å; S110-F124 WeakPolarHBondContact OG-CZ 3.23Å; V112-F124 HydrophobicContact CG2-CE2 4.1Å; V112-F124 VanDerWaalsContact O-CZ 3.3Å; V112-F124 WeakPolarHBondContact O-CZ 3.44Å; Y120-F124 WeakPolarHBondContact O-CB 3.44Å; Y120-F124 VanDerWaalsContact O-CD2 3.26Å; Y120-F124 WeakPolarHBondContact O-CD2 3.45Å; Y120-F124 PolarHBondContact O-N 2.98Å; F124-G128 WeakPolarHBondContact O-CA 3.34Å; F124-G128 PolarHBondContact O-N 3.4Å
125M95.9Very high95.4Very high104 Ų10447.1 Ų47.151%0.51227%0.267SS..Hα-helixtrans-65.3-42.9173.9-74.5-172.2-57.600112M37 A121 S122 C123 G128 L129M37-M125 HydrophobicContact SD-CB 4.39Å; M37-M125 HydrophobicContact SD-CE 3.98Å; A121-M125 WeakPolarHBondContact O-CB 3.49Å; A121-M125 VanDerWaalsContact O-CG 3.26Å; A121-M125 WeakPolarHBondContact O-CG 3.34Å; A121-M125 PolarHBondContact O-N 2.97Å; S122-M125 PolarHBondContact O-N 2.99Å; C123-M125 VanDerWaalsContact C-N 3.34Å; C123-M125 PolarHBondContact O-N 3.13Å; M125-G128 PolarHBondContact O-N 3.28Å; M125-L129 VanDerWaalsContact O-CB 3.26Å; M125-L129 WeakPolarHBondContact O-CB 3.37Å; M125-L129 PolarHBondContact O-N 3.46Å
126L96.9Very high95.6Very high35 Ų3544.9 Ų44.918%0.18326%0.255CS..Hα-helixtrans-62.3-51.8179177.363.7000111.8F34 M37 I38 S122 C123 G128 L129 H130F34-L126 HydrophobicContact CD1-CD1 3.66Å; F34-L126 HydrophobicContact CE1-CD1 4.24Å; M37-L126 HydrophobicContact CB-CB 4.33Å; M37-L126 HydrophobicContact CB-CD1 3.95Å; I38-L126 HydrophobicContact CG1-CD1 4.03Å; I38-L126 HydrophobicContact CG1-CD2 3.82Å; S122-L126 WeakPolarHBondContact O-CB 3.36Å; S122-L126 PolarHBondContact O-N 2.96Å; C123-L126 PolarHBondContact O-N 3.42Å; L126-G128 VanDerWaalsContact C-N 3.29Å; L126-G128 PolarHBondContact O-N 3Å; L126-L129 PolarHBondContact O-N 3.46Å; L126-H130 PolarHBondContact O-N 2.86Å
127V95.2Very high96Very high52 Ų5240.5 Ų40.532%0.31523%0.226SC..Hα-helixtrans-66.7-35.5178.5-176.60000110.1F107 C123 H130 L131F107-V127 HydrophobicContact CE1-CB 4.45Å; F107-V127 HydrophobicContact CE1-CG1 4.47Å; F107-V127 HydrophobicContact CE2-CB 4.22Å; F107-V127 HydrophobicContact CE2-CG1 3.49Å; F107-V127 VanDerWaalsContact CE2-CG1 3.49Å; F107-V127 HydrophobicContact CZ-CB 3.6Å; F107-V127 HydrophobicContact CZ-CG1 3.41Å; F107-V127 VanDerWaalsContact CZ-CG1 3.41Å; C123-V127 WeakPolarHBondContact O-CG2 3.47Å; C123-V127 PolarHBondContact O-N 3.42Å; V127-H130 WeakPolarHBondContact O-CB 3.18Å; V127-H130 PolarHBondContact O-N 3.39Å; V127-L131 WeakPolarHBondContact O-CB 3.48Å; V127-L131 PolarHBondContact O-N 3.24Å
128G96Very high96.3Very high28 Ų2839.6 Ų39.629%0.28922%0.222SC..Hα-helixtrans-69.8-38.2-179.400000112.2F124 M125 L126 L131 S132F124-G128 WeakPolarHBondContact O-CA 3.34Å; F124-G128 PolarHBondContact O-N 3.4Å; M125-G128 PolarHBondContact O-N 3.28Å; L126-G128 VanDerWaalsContact C-N 3.29Å; L126-G128 PolarHBondContact O-N 3Å; G128-L131 PolarHBondContact O-N 2.97Å; G128-S132 PolarHBondContact O-N 3.18Å
129L96.8Very high96.4Very high41 Ų4143 Ų4322%0.21523%0.231CC..Hα-helixtrans-64.4-44.7170.6-176.567.8000110.7V33 F34 M125 L126 L131 S132 H133V33-L129 HydrophobicContact CG1-CD2 3.66Å; F34-L129 HydrophobicContact CD1-CD2 4.15Å; F34-L129 HydrophobicContact CD2-CD2 4.3Å; F34-L129 HydrophobicContact CE1-CB 4.3Å; F34-L129 HydrophobicContact CE1-CD2 3.86Å; F34-L129 HydrophobicContact CE1-CG 4Å; F34-L129 HydrophobicContact CE2-CD2 4.01Å; F34-L129 HydrophobicContact CE2-CG 4.22Å; F34-L129 HydrophobicContact CG-CD2 4.35Å; F34-L129 HydrophobicContact CZ-CB 4.37Å; F34-L129 HydrophobicContact CZ-CD2 3.78Å; F34-L129 HydrophobicContact CZ-CG 3.68Å; M125-L129 VanDerWaalsContact O-CB 3.26Å; M125-L129 WeakPolarHBondContact O-CB 3.37Å; M125-L129 PolarHBondContact O-N 3.46Å; L126-L129 PolarHBondContact O-N 3.46Å; L129-L131 VanDerWaalsContact C-N 3.33Å; L129-L131 PolarHBondContact O-N 3.35Å; L129-S132 PolarHBondContact O-N 2.99Å; L129-S132 PolarHBondContact O-OG 2.87Å; L129-H133 PolarHBondContact O-CD2 3.09Å; L129-H133 PolarHBondContact O-N 3.42Å; L129-H133 VanDerWaalsContact O-N 3.08Å
130H97.1Very high96.3Very high74 Ų7441.9 Ų41.934%0.34323%0.23SC..Hα-helixtrans-58.2-45.6174.5177.3-110.6000111.9F34 F99 L126 V127 S132 H133 V134F34-H130 HydrophobicContact CE1-CB 4.11Å; F34-H130 HydrophobicContact CZ-CB 4.48Å; F99-H130 AromaticContact CZ-CE1 3.44Å; F99-H130 VanDerWaalsContact CZ-CE1 3.44Å; F99-H130 WeakPolarHBondContact CZ-CE1 3.43Å; F99-H130 AromaticContact CZ-ND1 3.75Å; L126-H130 PolarHBondContact O-N 2.86Å; V127-H130 WeakPolarHBondContact O-CB 3.18Å; V127-H130 PolarHBondContact O-N 3.39Å; H130-S132 VanDerWaalsContact C-N 3.35Å; H130-S132 PolarHBondContact O-N 2.98Å; H130-H133 WeakPolarHBondContact O-CB 3.26Å; H130-H133 PolarHBondContact O-N 2.91Å; H130-V134 WeakPolarHBondContact O-CG2 3.4Å; H130-V134 PolarHBondContact O-N 3.3Å
131L96.9Very high96.3Very high21 Ų2140.6 Ų40.611%0.1123%0.225CC..Hα-helixtrans-60.3-42.1177.1179.259.4000112.2F99 I100 A103 V104 F107 V127 G128 L129 H133 V134 I135F99-L131 HydrophobicContact CE1-CD1 4.28Å; I100-L131 HydrophobicContact CB-CD1 4.44Å; I100-L131 HydrophobicContact CG1-CD1 4.17Å; I100-L131 HydrophobicContact CG2-CD1 4.32Å; A103-L131 HydrophobicContact CB-CD1 3.86Å; V104-L131 HydrophobicContact CG2-CD2 4.09Å; F107-L131 HydrophobicContact CD2-CD2 4.1Å; F107-L131 HydrophobicContact CE2-CB 4.48Å; F107-L131 HydrophobicContact CE2-CD2 3.95Å; V127-L131 WeakPolarHBondContact O-CB 3.48Å; V127-L131 PolarHBondContact O-N 3.24Å; G128-L131 PolarHBondContact O-N 2.97Å; L129-L131 VanDerWaalsContact C-N 3.33Å; L129-L131 PolarHBondContact O-N 3.35Å; L131-H133 VanDerWaalsContact C-N 3.31Å; L131-H133 PolarHBondContact O-N 2.84Å; L131-V134 PolarHBondContact O-N 3.04Å; L131-I135 HydrophobicContact CD1-CD1 4.36Å; L131-I135 HydrophobicContact CD1-CG1 4.47Å; L131-I135 HydrophobicContact CG-CD1 4.13Å; L131-I135 WeakPolarHBondContact O-CG1 3.35Å; L131-I135 PolarHBondContact O-N 3.02Å
132S97.2Very high96.3Very high48 Ų4846.8 Ų46.834%0.33624%0.243SC..Hα-helixtrans-63.8-37.517875.80000112G128 L129 H130 I135 L136G128-S132 PolarHBondContact O-N 3.18Å; L129-S132 PolarHBondContact O-N 2.99Å; L129-S132 PolarHBondContact O-OG 2.87Å; H130-S132 VanDerWaalsContact C-N 3.35Å; H130-S132 PolarHBondContact O-N 2.98Å; S132-I135 PolarHBondContact O-N 3.5Å; S132-L136 WeakPolarHBondContact O-CG 3.49Å; S132-L136 PolarHBondContact O-N 2.94Å
133H97.5Very high96.2Very high31 Ų3151 Ų5114%0.14426%0.262CS..Hα-helixtrans-65-41.9173.3-80.6-115.1000112.3E30 F34 L129 H130 L131 I135 L136 G137 Y163E30-H133 IonicContact OE2-CE1 3.16Å; E30-H133 PolarHBondContact OE2-CE1 3.01Å; E30-H133 IonicContact OE2-NE2 2.69Å; E30-H133 PolarHBondContact OE2-NE2 3.39Å; F34-H133 AromaticContact CE2-CE1 3.96Å; L129-H133 PolarHBondContact O-CD2 3.09Å; L129-H133 PolarHBondContact O-N 3.42Å; L129-H133 VanDerWaalsContact O-N 3.08Å; H130-H133 WeakPolarHBondContact O-CB 3.26Å; H130-H133 PolarHBondContact O-N 2.91Å; L131-H133 VanDerWaalsContact C-N 3.31Å; L131-H133 PolarHBondContact O-N 2.84Å; H133-I135 VanDerWaalsContact C-N 3.31Å; H133-I135 PolarHBondContact O-N 3.48Å; H133-L136 PolarHBondContact O-N 3.16Å; H133-G137 PolarHBondContact O-N 2.89Å; H133-Y163 AromaticContact ND1-CZ 3.86Å; H133-Y163 PolarHBondContact ND1-OH 3.38Å; H133-Y163 VanDerWaalsContact ND1-OH 3.14Å
134V97.5Very high96Very high10 Ų1050.2 Ų50.26%0.06126%0.257CS..Hα-helixtrans-65-35.9176.3176.70000111.5L66 F99 I100 H130 L131 G137 S138 W164L66-V134 HydrophobicContact CD2-CG1 4.4Å; L66-V134 HydrophobicContact CD2-CG2 4.48Å; F99-V134 HydrophobicContact CD1-CB 4.22Å; F99-V134 HydrophobicContact CD1-CG1 3.59Å; F99-V134 HydrophobicContact CD1-CG2 4.27Å; F99-V134 HydrophobicContact CE1-CB 3.99Å; F99-V134 HydrophobicContact CE1-CG1 3.89Å; F99-V134 HydrophobicContact CE1-CG2 3.77Å; F99-V134 HydrophobicContact CZ-CG2 4.34Å; I100-V134 HydrophobicContact CD1-CG1 4.42Å; I100-V134 HydrophobicContact CG1-CG1 4.1Å; H130-V134 WeakPolarHBondContact O-CG2 3.4Å; H130-V134 PolarHBondContact O-N 3.3Å; L131-V134 PolarHBondContact O-N 3.04Å; V134-G137 PolarHBondContact O-N 3.02Å; V134-S138 WeakPolarHBondContact O-CB 3.38Å; V134-S138 PolarHBondContact O-N 2.86Å; V134-S138 PolarHBondContact O-OG 3.01Å; V134-W164 HydrophobicContact CG1-CH2 4.03Å; V134-W164 HydrophobicContact CG1-CZ3 4.29Å
135I97.6Very high95.8Very high63 Ų6349.8 Ų49.832%0.32326%0.258SS..Hα-helixtrans-63.8-50173.7-68.8165.9000110.6I100 L131 S132 H133 G137 S138 F139I100-I135 HydrophobicContact CD1-CG1 3.86Å; I100-I135 HydrophobicContact CG1-CG1 4.11Å; I100-I135 HydrophobicContact CG2-CG1 4.46Å; L131-I135 HydrophobicContact CD1-CD1 4.36Å; L131-I135 HydrophobicContact CD1-CG1 4.47Å; L131-I135 HydrophobicContact CG-CD1 4.13Å; L131-I135 WeakPolarHBondContact O-CG1 3.35Å; L131-I135 PolarHBondContact O-N 3.02Å; S132-I135 PolarHBondContact O-N 3.5Å; H133-I135 VanDerWaalsContact C-N 3.31Å; H133-I135 PolarHBondContact O-N 3.48Å; I135-G137 VanDerWaalsContact C-N 3.32Å; I135-G137 PolarHBondContact O-N 3.46Å; I135-S138 WeakPolarHBondContact O-CB 3.46Å; I135-S138 PolarHBondContact O-N 3.49Å; I135-S138 VanDerWaalsContact O-N 3.16Å; I135-F139 HydrophobicContact CG2-CD2 4.05Å; I135-F139 HydrophobicContact CG2-CE2 3.64Å; I135-F139 WeakPolarHBondContact O-CD2 3.44Å; I135-F139 PolarHBondContact O-N 3.31Å
136L96.8Very high95.4Very high105 Ų10545.4 Ų45.455%0.5524%0.239SC..Hα-helixtrans-59.7-42.4175.9-71.9175.3000111.9S132 H133 S138 F139 G140 Y163S132-L136 WeakPolarHBondContact O-CG 3.49Å; S132-L136 PolarHBondContact O-N 2.94Å; H133-L136 PolarHBondContact O-N 3.16Å; L136-S138 VanDerWaalsContact C-N 3.32Å; L136-S138 PolarHBondContact O-N 3.26Å; L136-F139 WeakPolarHBondContact O-CB 3.43Å; L136-F139 PolarHBondContact O-N 2.93Å; L136-G140 PolarHBondContact O-N 3.04Å; L136-Y163 HydrophobicContact CB-CE1 4.36Å
137G96.9Very high94.9Very high5 Ų544.9 Ų44.95%0.05224%0.235CC..Hα-helixtrans-61.3-40.4175.200000112H133 V134 I135 F139 G140 L141H133-G137 PolarHBondContact O-N 2.89Å; V134-G137 PolarHBondContact O-N 3.02Å; I135-G137 VanDerWaalsContact C-N 3.32Å; I135-G137 PolarHBondContact O-N 3.46Å; G137-F139 VanDerWaalsContact C-N 3.35Å; G137-F139 PolarHBondContact O-N 3.41Å; G137-G140 CarbonylContact O-C 3.26Å; G137-G140 VanDerWaalsContact O-CA 3.31Å; G137-G140 WeakPolarHBondContact O-CA 3.27Å; G137-G140 PolarHBondContact O-N 3.49Å; G137-L141 WeakPolarHBondContact O-CG 3.36Å; G137-L141 PolarHBondContact O-N 3.33Å
138S97.1Very high94.3Very high12 Ų1246.8 Ų46.88%0.08424%0.24CC..Hα-helixtrans-64.4-37.2176.6-61.70000112.3S96 V134 I135 L136 G140 L141 Y142S96-S138 VanDerWaalsContact CB-OG 3.27Å; S96-S138 WeakPolarHBondContact CB-OG 3.35Å; S96-S138 PolarHBondContact OG-OG 3.33Å; V134-S138 WeakPolarHBondContact O-CB 3.38Å; V134-S138 PolarHBondContact O-N 2.86Å; V134-S138 PolarHBondContact O-OG 3.01Å; I135-S138 WeakPolarHBondContact O-CB 3.46Å; I135-S138 PolarHBondContact O-N 3.49Å; I135-S138 VanDerWaalsContact O-N 3.16Å; L136-S138 VanDerWaalsContact C-N 3.32Å; L136-S138 PolarHBondContact O-N 3.26Å; S138-G140 VanDerWaalsContact C-N 3.32Å; S138-L141 PolarHBondContact O-N 3.22Å; S138-Y142 PolarHBondContact O-N 2.85Å
139F96.4Very high93.7Very high133 Ų13353 Ų5358%0.58327%0.266SS*.Hα-helixtrans-62.5-40.4168.9-74.9-68.3000111.5I135 L136 G137 L141 Y142 E143I135-F139 HydrophobicContact CG2-CD2 4.05Å; I135-F139 HydrophobicContact CG2-CE2 3.64Å; I135-F139 WeakPolarHBondContact O-CD2 3.44Å; I135-F139 PolarHBondContact O-N 3.31Å; L136-F139 WeakPolarHBondContact O-CB 3.43Å; L136-F139 PolarHBondContact O-N 2.93Å; G137-F139 VanDerWaalsContact C-N 3.35Å; G137-F139 PolarHBondContact O-N 3.41Å; F139-L141 PolarHBondContact O-N 3.37Å; F139-Y142 WeakPolarHBondContact O-CB 3.41Å; F139-Y142 PolarHBondContact O-N 3.17Å; F139-E143 PolarHBondContact O-N 2.96Å
140G94.8Very high93Very high10 Ų1052.8 Ų52.810%0.10327%0.268CS..Hα-helixtrans-60.1-40.2172.400000113.6L136 G137 S138 E143 L144L136-G140 PolarHBondContact O-N 3.04Å; G137-G140 CarbonylContact O-C 3.26Å; G137-G140 VanDerWaalsContact O-CA 3.31Å; G137-G140 WeakPolarHBondContact O-CA 3.27Å; G137-G140 PolarHBondContact O-N 3.49Å; S138-G140 VanDerWaalsContact C-N 3.32Å; G140-E143 PolarHBondContact O-N 3.19Å; G140-L144 WeakPolarHBondContact O-CB 3.35Å; G140-L144 PolarHBondContact O-N 3.2Å
141L94.9Very high92.4Very high3 Ų353.2 Ų53.22%0.01628%0.279CS..Hα-helixtrans-65.8-39.4173.7-66.6-176.9000112.1I73 V89 S92 G137 S138 F139 L144 S145 W164I73-L141 HydrophobicContact CD1-CD2 3.47Å; I73-L141 VanDerWaalsContact CD1-CD2 3.47Å; I73-L141 HydrophobicContact CG1-CD2 3.96Å; V89-L141 WeakPolarHBondContact CG1-O 3.31Å; S92-L141 VanDerWaalsContact OG-CD1 3.25Å; S92-L141 WeakPolarHBondContact OG-CD1 3.44Å; G137-L141 WeakPolarHBondContact O-CG 3.36Å; G137-L141 PolarHBondContact O-N 3.33Å; S138-L141 PolarHBondContact O-N 3.22Å; F139-L141 PolarHBondContact O-N 3.37Å; L141-L144 HydrophobicContact CD2-CD2 4.48Å; L141-L144 WeakPolarHBondContact O-CB 3.12Å; L141-L144 PolarHBondContact O-N 3.47Å; L141-L144 VanDerWaalsContact O-N 3.15Å; L141-S145 PolarHBondContact O-N 3.27Å; L141-W164 HydrophobicContact CD1-CD2 3.78Å; L141-W164 HydrophobicContact CD1-CE3 3.77Å; L141-W164 HydrophobicContact CD1-CH2 3.97Å; L141-W164 HydrophobicContact CD1-CZ2 3.96Å; L141-W164 HydrophobicContact CD1-CZ3 3.86Å; L141-W164 HydrophobicContact CD2-CD2 4.16Å; L141-W164 HydrophobicContact CD2-CE3 4.46Å; L141-W164 HydrophobicContact CD2-CG 4.15Å; L141-W164 HydrophobicContact CG-CD2 4.07Å; L141-W164 HydrophobicContact CG-CE3 3.94Å; L141-W164 HydrophobicContact CG-CZ3 4.39Å
142Y94.5Very high91.8Very high160 Ų16057.9 Ų57.963%0.62730%0.299SS*.Hα-helixtrans-61.3-44.7173.9179.6-100.2000111.1L93 S138 F139 L144 S145L93-Y142 HydrophobicContact CD1-CD2 4.26Å; S138-Y142 PolarHBondContact O-N 2.85Å; F139-Y142 WeakPolarHBondContact O-CB 3.41Å; F139-Y142 PolarHBondContact O-N 3.17Å; Y142-L144 VanDerWaalsContact C-N 3.32Å; Y142-L144 PolarHBondContact O-N 3Å; Y142-S145 WeakPolarHBondContact O-CB 2.97Å; Y142-S145 PolarHBondContact O-N 3.24Å; Y142-S145 PolarHBondContact O-OG 3.2Å
143E92.7Very high91.2Very high90 Ų9056.7 Ų56.742%0.42129%0.288SS..Hα-helixtrans-59.5-42.4171.5-70.2-172.818000111.6F139 G140 S145 G146 I153F139-E143 PolarHBondContact O-N 2.96Å; G140-E143 PolarHBondContact O-N 3.19Å; E143-S145 PolarHBondContact O-N 3.33Å; E143-G146 WeakPolarHBondContact O-CA 3.34Å; E143-G146 PolarHBondContact O-N 2.94Å; E143-I153 VanDerWaalsContact O-CD1 3.28Å; E143-I153 WeakPolarHBondContact O-CD1 3.3Å
144L92.7Very high90.6Very high2 Ų261.6 Ų61.61%0.0131%0.306CS..Hα-helixtrans-62.9-26.2179.2-166.664.9000112.9I73 F76 V89 G140 L141 Y142 G146 F147 I153 N157 M161I73-L144 HydrophobicContact CD1-CD2 4.37Å; F76-L144 HydrophobicContact CD1-CD2 3.94Å; F76-L144 HydrophobicContact CE1-CD1 3.8Å; F76-L144 HydrophobicContact CE1-CD2 3.67Å; F76-L144 HydrophobicContact CE1-CG 3.85Å; F76-L144 HydrophobicContact CZ-CD1 4.01Å; F76-L144 HydrophobicContact CZ-CD2 4.35Å; F76-L144 HydrophobicContact CZ-CG 4.06Å; V89-L144 HydrophobicContact CG1-CB 4.2Å; V89-L144 HydrophobicContact CG1-CD2 4.5Å; V89-L144 HydrophobicContact CG1-CG 4.44Å; V89-L144 HydrophobicContact CG2-CD2 4.12Å; V89-L144 HydrophobicContact CG2-CG 4.23Å; G140-L144 WeakPolarHBondContact O-CB 3.35Å; G140-L144 PolarHBondContact O-N 3.2Å; L141-L144 HydrophobicContact CD2-CD2 4.48Å; L141-L144 WeakPolarHBondContact O-CB 3.12Å; L141-L144 PolarHBondContact O-N 3.47Å; L141-L144 VanDerWaalsContact O-N 3.15Å; Y142-L144 VanDerWaalsContact C-N 3.32Å; Y142-L144 PolarHBondContact O-N 3Å; L144-G146 PolarHBondContact O-N 2.68Å; L144-F147 HydrophobicContact CD1-CD2 4.18Å; L144-F147 WeakPolarHBondContact O-CB 3.34Å; L144-F147 PolarHBondContact O-N 3.45Å; L144-I153 HydrophobicContact CD1-CG2 4.31Å; L144-N157 HydrophobicContact CD1-CB 4Å; L144-M161 HydrophobicContact CD2-CG 4.41Å
145S90.1Very high90Very high19 Ų1966.2 Ų66.213%0.13332%0.322CS..Hα-helixtrans-59.8-28173.180.30000112.3L141 Y142 E143 F147L141-S145 PolarHBondContact O-N 3.27Å; Y142-S145 WeakPolarHBondContact O-CB 2.97Å; Y142-S145 PolarHBondContact O-N 3.24Å; Y142-S145 PolarHBondContact O-OG 3.2Å; E143-S145 PolarHBondContact O-N 3.33Å; S145-F147 VanDerWaalsContact C-N 3.29Å; S145-F147 PolarHBondContact O-N 3.47Å
146G87.3Confident89.6Confident11 Ų1166.2 Ų66.211%0.11332%0.32CS..THydrogen-bonded Turntrans-83.814.8173.900000114.9E143 L144 Q148 L149 I153E143-G146 WeakPolarHBondContact O-CA 3.34Å; E143-G146 PolarHBondContact O-N 2.94Å; L144-G146 PolarHBondContact O-N 2.68Å; G146-Q148 PolarHBondContact O-N 3.01Å; G146-L149 WeakPolarHBondContact O-CB 3.16Å; G146-L149 PolarHBondContact O-N 3.49Å; G146-I153 WeakPolarHBondContact O-CD1 3.1Å
147F87Confident89.3Confident25 Ų2561.9 Ų61.911%0.1130%0.297CS..THydrogen-bonded Turntrans-51.2-35.4-175.1-179.5-98000114.7F76 L80 L144 S145 I153 R154 N157F76-F147 HydrophobicContact CZ-CB 4.22Å; F76-F147 HydrophobicContact CZ-CD1 4.27Å; F76-F147 HydrophobicContact CZ-CD2 4.06Å; F76-F147 AromaticContact CZ-CG 3.93Å; F76-F147 HydrophobicContact CZ-CG 3.93Å; L80-F147 HydrophobicContact CD2-CE1 3.97Å; L80-F147 HydrophobicContact CD2-CE2 3.82Å; L80-F147 HydrophobicContact CD2-CZ 3.46Å; L80-F147 VanDerWaalsContact CD2-CZ 3.46Å; L144-F147 HydrophobicContact CD1-CD2 4.18Å; L144-F147 WeakPolarHBondContact O-CB 3.34Å; L144-F147 PolarHBondContact O-N 3.45Å; S145-F147 VanDerWaalsContact C-N 3.29Å; S145-F147 PolarHBondContact O-N 3.47Å; F147-I153 HydrophobicContact CB-CG2 4.33Å; F147-I153 HydrophobicContact CD2-CG2 4.26Å; F147-R154 HydrophobicContact CD2-CG 4.02Å; F147-R154 HydrophobicContact CE1-CG 4.23Å; F147-R154 HydrophobicContact CE2-CB 4.07Å; F147-R154 HydrophobicContact CE2-CG 3.66Å; F147-R154 HydrophobicContact CG-CG 4.45Å; F147-R154 HydrophobicContact CZ-CB 4.4Å; F147-R154 HydrophobicContact CZ-CG 3.77Å; F147-R154 WeakPolarHBondContact O-CG 3.26Å; F147-N157 HydrophobicContact CD2-CB 4.18Å; F147-N157 HydrophobicContact CE2-CB 3.86Å; F147-N157 WeakPolarHBondContact CE2-ND2 3.26Å
148Q82.2Confident89Confident92 Ų9267.9 Ų67.943%0.4332%0.322SS..THydrogen-bonded Turntrans-80.1-16.8179.3-67.3-176.6-18.800113.7R86 G146R86-Q148 VanDerWaalsContact CZ-OE1 3.25Å; G146-Q148 PolarHBondContact O-N 3.01Å
149L83.9Confident88.8Confident158 Ų15868.9 Ų68.983%0.82733%0.326SS*.THydrogen-bonded Turntrans-88.5-32-172.6-67167.6000112.9G146G146-L149 WeakPolarHBondContact O-CB 3.16Å; G146-L149 PolarHBondContact O-N 3.49Å
150S82.7Confident88.6Confident36 Ų3664 Ų6425%0.25231%0.306SS..  trans-132.4135.7-174.989.50000114F152 I153 R154S150-F152 PolarHBondContact O-N 3.04Å; S150-I153 PolarHBondContact O-N 2.86Å; S150-I153 WeakPolarHBondContact OG-CB 3.49Å; S150-I153 WeakPolarHBondContact OG-CD1 3.15Å; S150-I153 WeakPolarHBondContact OG-CG1 3.27Å; S150-I153 PolarHBondContact OG-N 2.95Å; S150-I153 VanDerWaalsContact OG-N 3.08Å; S150-R154 PolarHBondContact O-N 3.49Å
151S84.3Confident88.6Confident83 Ų8364.8 Ų64.858%0.5831%0.307SS*.Hα-helixtrans-61.5-27.9170.6-61.90000112.5R154 W155S151-R154 PolarHBondContact O-N 2.89Å; S151-R154 PolarHBondContact OG-NH2 3.17Å; S151-W155 PolarHBondContact O-N 3.44Å
152F84.1Confident88.5Confident120 Ų12068.2 Ų68.253%0.52633%0.328SS..Hα-helixtrans-66.3-44.9178.6-175.1-111.8000112.5S150 R154 W155 K156S150-F152 PolarHBondContact O-N 3.04Å; F152-R154 VanDerWaalsContact C-N 3.29Å; F152-R154 PolarHBondContact O-N 3.09Å; F152-W155 HydrophobicContact CD2-CE3 4.45Å; F152-W155 HydrophobicContact CE2-CE3 4.36Å; F152-W155 HydrophobicContact CE2-CZ3 4.41Å; F152-W155 WeakPolarHBondContact O-CB 3.48Å; F152-W155 PolarHBondContact O-N 3.47Å; F152-W155 VanDerWaalsContact O-N 3.16Å; F152-K156 HydrophobicContact CD1-CD 4.4Å; F152-K156 HydrophobicContact CE1-CD 3.9Å; F152-K156 VanDerWaalsContact CE1-CE 3.44Å; F152-K156 HydrophobicContact CZ-CD 4.05Å; F152-K156 PolarHBondContact O-N 3.09Å
153I84.6Confident88.6Confident22 Ų2263.1 Ų63.111%0.11331%0.308CS..Hα-helixtrans-63.5-38.5176.1-66.1159.7000110.2E143 L144 G146 F147 S150 W155 K156 N157E143-I153 VanDerWaalsContact O-CD1 3.28Å; E143-I153 WeakPolarHBondContact O-CD1 3.3Å; L144-I153 HydrophobicContact CD1-CG2 4.31Å; G146-I153 WeakPolarHBondContact O-CD1 3.1Å; F147-I153 HydrophobicContact CB-CG2 4.33Å; F147-I153 HydrophobicContact CD2-CG2 4.26Å; S150-I153 PolarHBondContact O-N 2.86Å; S150-I153 WeakPolarHBondContact OG-CB 3.49Å; S150-I153 WeakPolarHBondContact OG-CD1 3.15Å; S150-I153 WeakPolarHBondContact OG-CG1 3.27Å; S150-I153 PolarHBondContact OG-N 2.95Å; S150-I153 VanDerWaalsContact OG-N 3.08Å; I153-W155 VanDerWaalsContact C-N 3.25Å; I153-W155 PolarHBondContact O-N 3.41Å; I153-K156 PolarHBondContact O-N 2.85Å; I153-N157 PolarHBondContact O-N 2.92Å
154R84.8Confident88.7Confident135 Ų13561.5 Ų61.551%0.50930%0.298SS..Hα-helixtrans-61.1-33.7176-65.2-170.6-69.7178.8-2.1113.2F147 S150 S151 F152 N157F147-R154 HydrophobicContact CD2-CG 4.02Å; F147-R154 HydrophobicContact CE1-CG 4.23Å; F147-R154 HydrophobicContact CE2-CB 4.07Å; F147-R154 HydrophobicContact CE2-CG 3.66Å; F147-R154 HydrophobicContact CG-CG 4.45Å; F147-R154 HydrophobicContact CZ-CB 4.4Å; F147-R154 HydrophobicContact CZ-CG 3.77Å; F147-R154 WeakPolarHBondContact O-CG 3.26Å; S150-R154 PolarHBondContact O-N 3.49Å; S151-R154 PolarHBondContact O-N 2.89Å; S151-R154 PolarHBondContact OG-NH2 3.17Å; F152-R154 VanDerWaalsContact C-N 3.29Å; F152-R154 PolarHBondContact O-N 3.09Å; R154-N157 PolarHBondContact O-OD1 3.22Å; R154-N157 VanDerWaalsContact O-OD1 3.07Å
155W84.9Confident88.5Confident107 Ų10764.5 Ų64.541%0.40531%0.312SS..Hα-helixtrans-72.4-38.3176.517475.1000112.4C19 S151 F152 I153C19-W155 HydrophobicContact CB-CH2 4.22Å; C19-W155 HydrophobicContact CB-CZ2 4.02Å; S151-W155 PolarHBondContact O-N 3.44Å; F152-W155 HydrophobicContact CD2-CE3 4.45Å; F152-W155 HydrophobicContact CE2-CE3 4.36Å; F152-W155 HydrophobicContact CE2-CZ3 4.41Å; F152-W155 WeakPolarHBondContact O-CB 3.48Å; F152-W155 PolarHBondContact O-N 3.47Å; F152-W155 VanDerWaalsContact O-N 3.16Å; I153-W155 VanDerWaalsContact C-N 3.25Å; I153-W155 PolarHBondContact O-N 3.41Å
156K88.7Confident88.4Confident62 Ų6266.8 Ų66.827%0.2732%0.322SS..Hα-helixtrans-83.7-14.2-179.8-66.6-172170.1-179.20115.1F152 I153 K158 M159 L160F152-K156 HydrophobicContact CD1-CD 4.4Å; F152-K156 HydrophobicContact CE1-CD 3.9Å; F152-K156 VanDerWaalsContact CE1-CE 3.44Å; F152-K156 HydrophobicContact CZ-CD 4.05Å; F152-K156 PolarHBondContact O-N 3.09Å; I153-K156 PolarHBondContact O-N 2.85Å; K156-K158 VanDerWaalsContact C-N 3.26Å; K156-K158 PolarHBondContact O-N 3Å; K156-K158 VanDerWaalsContact O-N 3.07Å; K156-M159 WeakPolarHBondContact O-CB 3.4Å; K156-M159 PolarHBondContact O-N 3.14Å; K156-L160 HydrophobicContact CB-CD1 4.44Å; K156-L160 PolarHBondContact O-N 3.04Å; K156-L160 VanDerWaalsContact O-N 3.09Å
157N90.1Very high88.4Confident15 Ų1569.9 Ų69.98%0.0833%0.333CS..Hα-helixtrans-49.8-43.4-168.872-18.1000113.8L144 F147 I153 R154 M159 L160 M161L144-N157 HydrophobicContact CD1-CB 4Å; F147-N157 HydrophobicContact CD2-CB 4.18Å; F147-N157 HydrophobicContact CE2-CB 3.86Å; F147-N157 WeakPolarHBondContact CE2-ND2 3.26Å; I153-N157 PolarHBondContact O-N 2.92Å; R154-N157 PolarHBondContact O-OD1 3.22Å; R154-N157 VanDerWaalsContact O-OD1 3.07Å; N157-M159 VanDerWaalsContact C-N 3.33Å; N157-M159 PolarHBondContact O-N 3.28Å; N157-L160 PolarHBondContact O-N 3.49Å; N157-M161 HydrophobicContact CB-CE 4.42Å; N157-M161 WeakPolarHBondContact O-CB 3.35Å; N157-M161 WeakPolarHBondContact O-CE 3.42Å; N157-M161 VanDerWaalsContact O-CG 3.26Å; N157-M161 WeakPolarHBondContact O-CG 3.34Å; N157-M161 PolarHBondContact O-N 2.69Å
158K91.3Very high88.5Confident130 Ų13072.6 Ų72.657%0.56535%0.346SS*.Hα-helixtrans-64.5-36.6-179.8-72.5-176.7-179.9-173.90112.2K156 M161 V162K156-K158 VanDerWaalsContact C-N 3.26Å; K156-K158 PolarHBondContact O-N 3Å; K156-K158 VanDerWaalsContact O-N 3.07Å; K158-M161 HydrophobicContact CB-CE 4.4Å; K158-M161 HydrophobicContact CG-CE 4.01Å; K158-V162 WeakPolarHBondContact O-CB 3.44Å; K158-V162 WeakPolarHBondContact O-CG2 3.3Å; K158-V162 PolarHBondContact O-N 2.72Å; K158-V162 VanDerWaalsContact O-N 3.13Å
159M92.6Very high88.9Confident33 Ų3371.4 Ų71.416%0.16334%0.341CS..Hα-helixtrans-69.2-44.3176-63.4169.4175.600110.2C19 K20 F23 K156 N157 M161 V162 Y163C19-M159 HydrophobicContact CB-CE 4.13Å; K20-M159 HydrophobicContact CB-CE 4.43Å; K20-M159 HydrophobicContact CG-CE 3.79Å; F23-M159 HydrophobicContact CB-CE 4.35Å; F23-M159 HydrophobicContact CB-CG 4.48Å; F23-M159 HydrophobicContact CB-SD 4.43Å; F23-M159 HydrophobicContact CD1-CB 4.16Å; F23-M159 HydrophobicContact CD1-CG 3.94Å; F23-M159 HydrophobicContact CD2-CB 4.25Å; F23-M159 HydrophobicContact CD2-CG 4.43Å; F23-M159 HydrophobicContact CE1-CB 4.02Å; F23-M159 HydrophobicContact CE1-CG 4.27Å; F23-M159 HydrophobicContact CE2-CB 4.13Å; F23-M159 HydrophobicContact CG-CB 4.26Å; F23-M159 HydrophobicContact CG-CG 4.02Å; F23-M159 HydrophobicContact CG-SD 4.44Å; F23-M159 HydrophobicContact CZ-CB 4.02Å; F23-M159 VanDerWaalsContact CZ-O 3.25Å; F23-M159 WeakPolarHBondContact CZ-O 3.26Å; K156-M159 WeakPolarHBondContact O-CB 3.4Å; K156-M159 PolarHBondContact O-N 3.14Å; N157-M159 VanDerWaalsContact C-N 3.33Å; N157-M159 PolarHBondContact O-N 3.28Å; M159-M161 PolarHBondContact O-N 3.28Å; M159-V162 PolarHBondContact O-N 3.21Å; M159-Y163 WeakPolarHBondContact O-CB 3.31Å; M159-Y163 PolarHBondContact O-N 2.91Å
160L93.1Very high89.3Confident32 Ų3265.6 Ų65.617%0.16831%0.309CS..Hα-helixtrans-62.1-42.8177.1-65.9175.4000112.3K156 N157 V162 Y163 W164K156-L160 HydrophobicContact CB-CD1 4.44Å; K156-L160 PolarHBondContact O-N 3.04Å; K156-L160 VanDerWaalsContact O-N 3.09Å; N157-L160 PolarHBondContact O-N 3.49Å; L160-V162 VanDerWaalsContact C-N 3.3Å; L160-V162 PolarHBondContact O-N 3.5Å; L160-Y163 PolarHBondContact O-N 3.03Å; L160-W164 WeakPolarHBondContact O-CB 3.5Å; L160-W164 PolarHBondContact O-N 3.31Å
161M93.5Very high89.7Confident26 Ų2667.7 Ų67.713%0.12831%0.313CS..Hα-helixtrans-69.9-22.7177.5-69.5-178.9-57.200114I73 F76 H77 L144 N157 K158 M159I73-M161 HydrophobicContact CG2-CB 4.13Å; I73-M161 HydrophobicContact CG2-CG 3.76Å; F76-M161 HydrophobicContact CD1-SD 4.06Å; F76-M161 HydrophobicContact CE1-SD 4.13Å; H77-M161 HydrophobicContact CB-SD 3.91Å; H77-M161 WeakPolarHBondContact ND1-CE 3.41Å; H77-M161 PolarHBondContact ND1-SD 3.44Å; H77-M161 VanDerWaalsContact ND1-SD 3.37Å; L144-M161 HydrophobicContact CD2-CG 4.41Å; N157-M161 HydrophobicContact CB-CE 4.42Å; N157-M161 WeakPolarHBondContact O-CB 3.35Å; N157-M161 WeakPolarHBondContact O-CE 3.42Å; N157-M161 VanDerWaalsContact O-CG 3.26Å; N157-M161 WeakPolarHBondContact O-CG 3.34Å; N157-M161 PolarHBondContact O-N 2.69Å; K158-M161 HydrophobicContact CB-CE 4.4Å; K158-M161 HydrophobicContact CG-CE 4.01Å; M159-M161 PolarHBondContact O-N 3.28Å
162V94.2Very high90.1Very high75 Ų7566.5 Ų66.546%0.45529%0.292SS..Hα-helixtrans-90.6-30.5177169.40000111.2F23 W24 L27 K158 M159 L160F23-V162 HydrophobicContact CE1-CB 4.25Å; F23-V162 HydrophobicContact CE1-CG1 4.07Å; W24-V162 HydrophobicContact CH2-CG1 4.38Å; L27-V162 HydrophobicContact CD1-CG1 3.88Å; K158-V162 WeakPolarHBondContact O-CB 3.44Å; K158-V162 WeakPolarHBondContact O-CG2 3.3Å; K158-V162 PolarHBondContact O-N 2.72Å; K158-V162 VanDerWaalsContact O-N 3.13Å; M159-V162 PolarHBondContact O-N 3.21Å; L160-V162 VanDerWaalsContact C-N 3.3Å; L160-V162 PolarHBondContact O-N 3.5Å
163Y95.3Very high90.7Very high52 Ų5262.1 Ų62.120%0.20427%0.273CS..Hα-helixtrans-68.6-40173.3-176.7-99.2000111.7F23 F26 L27 H133 L136 M159 L160F23-Y163 HydrophobicContact CE2-CD2 4.49Å; F26-Y163 HydrophobicContact CE1-CD2 4.18Å; F26-Y163 AromaticContact CE1-CE2 3.89Å; F26-Y163 HydrophobicContact CE1-CE2 3.89Å; F26-Y163 HydrophobicContact CZ-CE2 4.35Å; L27-Y163 HydrophobicContact CD2-CD2 3.96Å; H133-Y163 AromaticContact ND1-CZ 3.86Å; H133-Y163 PolarHBondContact ND1-OH 3.38Å; H133-Y163 VanDerWaalsContact ND1-OH 3.14Å; L136-Y163 HydrophobicContact CB-CE1 4.36Å; M159-Y163 WeakPolarHBondContact O-CB 3.31Å; M159-Y163 PolarHBondContact O-N 2.91Å; L160-Y163 PolarHBondContact O-N 3.03Å
164W94.9Very high91.2Very high56 Ų5665.7 Ų65.721%0.21229%0.287CS..  trans-71.60172-172.2-92.3000111.4L66 S69 I73 V134 L141 L160L66-W164 HydrophobicContact CD2-CH2 4.08Å; L66-W164 HydrophobicContact CD2-CZ2 3.93Å; S69-W164 WeakPolarHBondContact OG-CZ2 3.38Å; S69-W164 PolarHBondContact OG-NE1 3.5Å; I73-W164 HydrophobicContact CG1-CG 4.44Å; V134-W164 HydrophobicContact CG1-CH2 4.03Å; V134-W164 HydrophobicContact CG1-CZ3 4.29Å; L141-W164 HydrophobicContact CD1-CD2 3.78Å; L141-W164 HydrophobicContact CD1-CE3 3.77Å; L141-W164 HydrophobicContact CD1-CH2 3.97Å; L141-W164 HydrophobicContact CD1-CZ2 3.96Å; L141-W164 HydrophobicContact CD1-CZ3 3.86Å; L141-W164 HydrophobicContact CD2-CD2 4.16Å; L141-W164 HydrophobicContact CD2-CE3 4.46Å; L141-W164 HydrophobicContact CD2-CG 4.15Å; L141-W164 HydrophobicContact CG-CD2 4.07Å; L141-W164 HydrophobicContact CG-CE3 3.94Å; L141-W164 HydrophobicContact CG-CZ3 4.39Å; L160-W164 WeakPolarHBondContact O-CB 3.5Å; L160-W164 PolarHBondContact O-N 3.31Å

Retrieved 164 of 164 residues in 35.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).