G4VHK6_SCHMA Loading...

Putative fgf receptor activating protein

AlphaFold DB , UniProt , Accession G4VHK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 252 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.6Very low54.2Low245 Ų245133.5 Ų133.5100%1.20773%0.731SS**  01440-82175.8-178.800108.7
2A41.2Very low56.8Low88 Ų88130.1 Ų130.173%0.72771%0.71SS**  trans70.777.1173.100000116.3A4A2-A4 HydrophobicContact CB-CB 3.83Å; A2-A4 PolarHBondContact O-N 3.15Å
3C42.6Very low59.1Low135 Ų135132.5 Ų132.591%0.91270%0.702SS**  trans-67.566.4146-150.20000107.7N5C3-N5 PolarHBondContact O-N 3.32Å
4A44.3Very low61.1Low75 Ų75126.7 Ų126.762%0.6267%0.671SS**  trans-102.970.6-173.900000109.6A2A2-A4 HydrophobicContact CB-CB 3.83Å; A2-A4 PolarHBondContact O-N 3.15Å
5N47.2Very low63.2Low158 Ų158120.9 Ų120.985%0.84564%0.644SS**  trans-153.994.7145.9-107.4-20.7000106.7C3 G7C3-N5 PolarHBondContact O-N 3.32Å; N5-G7 PolarHBondContact O-N 3.42Å
6K52.4Low64.8Low214 Ų214113.4 Ų113.493%0.9360%0.604SS**  trans-67.374.9168.5-69.4179.7177.2-179.70107.4L8K6-L8 PolarHBondContact O-N 2.98Å; K6-L8 VanDerWaalsContact O-N 3.14Å
7G56.1Low66.5Low36 Ų36108.4 Ų108.437%0.37158%0.579SS.*  trans-64.8111.3-177.700000109.9N5 Y9N5-G7 PolarHBondContact O-N 3.42Å; G7-Y9 WeakPolarHBondContact O-CD2 3.35Å; G7-Y9 PolarHBondContact O-N 3.47Å
8L61.8Low67.9Low102 Ų102107.7 Ų107.753%0.53458%0.575SS.*  trans-77103.2168-157.489.8000106.7K6 V245 F247K6-L8 PolarHBondContact O-N 2.98Å; K6-L8 VanDerWaalsContact O-N 3.14Å; L8-V245 HydrophobicContact CD1-CB 4.28Å; L8-V245 HydrophobicContact CD2-CB 3.82Å; L8-V245 HydrophobicContact CD2-CG1 3.47Å; L8-V245 VanDerWaalsContact CD2-CG1 3.47Å; L8-V245 HydrophobicContact CD2-CG2 4.46Å; L8-V245 HydrophobicContact CG-CB 3.88Å; L8-V245 HydrophobicContact CG-CG1 4.05Å; L8-F247 HydrophobicContact CD1-CD1 4.46Å; L8-F247 HydrophobicContact CD1-CE1 4.3Å
9Y68.9Low69.1Low167 Ų167104.5 Ų104.566%0.65556%0.556SS**EExtended strand (participates in β ladder)trans-80.6123.3177.6-62.2-85.4000109.3G7 T246G7-Y9 WeakPolarHBondContact O-CD2 3.35Å; G7-Y9 PolarHBondContact O-N 3.47Å; Y9-T246 PolarHBondContact O-N 2.83Å
10Q71.7Confident70.4Confident123 Ų12399.8 Ų99.858%0.57553%0.531SS*.EExtended strand (participates in β ladder)trans-86.4119.7172-69.7178.5-7.900108.8T244 V245Q10-T244 WeakPolarHBondContact CA-O 3.28Å; Q10-V245 HydrophobicContact CG-CG1 4.46Å
11L78Confident71.6Confident126 Ų12698 Ų9866%0.6652%0.523SS*.EExtended strand (participates in β ladder)trans-93.2-36.1178.6-84.577.7000112.2T244 T246L11-T244 PolarHBondContact N-O 2.94Å; L11-T244 VanDerWaalsContact N-O 3.13Å; L11-T246 WeakPolarHBondContact CD1-OG1 3.16Å
12L86Confident74.5Confident92 Ų9288.8 Ų88.848%0.48249%0.487SS..EExtended strand (participates in β ladder)trans-125.5134.8178.5-176.265.6000109T243 T244L12-T243 WeakPolarHBondContact O-CA 3.49Å; L12-T243 WeakPolarHBondContact O-CB 2.94Å; L12-T243 PolarHBondContact O-OG1 3.11Å; L12-T244 HydrophobicContact CB-CG2 4.26Å; L12-T244 WeakPolarHBondContact CB-OG1 3.45Å; L12-T244 HydrophobicContact CD2-CG2 4.48Å; L12-T244 PolarHBondContact N-OG1 2.65Å; L12-T244 PolarHBondContact O-N 3.3Å
13W86.5Confident77Confident161 Ų16185.1 Ų85.161%0.6146%0.457SS*.EExtended strand (participates in β ladder)trans-133.6111.8168.7-171.394000108P15 A241W13-P15 HydrophobicContact CH2-CB 3.96Å; W13-P15 HydrophobicContact CH2-CG 4.44Å; W13-P15 HydrophobicContact CZ3-CB 3.99Å; W13-P15 HydrophobicContact CZ3-CG 3.97Å; W13-A241 HydrophobicContact CD2-CB 4.21Å; W13-A241 HydrophobicContact CG-CB 4.43Å; W13-A241 HydrophobicContact CZ2-CB 3.89Å
14L87.6Confident79.5Confident52 Ų5279.3 Ų79.327%0.27242%0.417SS..EExtended strand (participates in β ladder)trans-121.9121178.1-171.375.8000108.9F16 L18 F19 A241 L242L14-F16 PolarHBondContact O-N 3Å; L14-L18 HydrophobicContact CD1-CD2 3.85Å; L14-F19 HydrophobicContact CD2-CB 4.02Å; L14-F19 HydrophobicContact CD2-CD2 4Å; L14-F19 HydrophobicContact CD2-CG 4.45Å; L14-A241 CarbonylContact O-C 3.52Å; L14-A241 VanDerWaalsContact O-CA 3.24Å; L14-A241 WeakPolarHBondContact O-CA 3.36Å; L14-A241 WeakPolarHBondContact O-CB 3.42Å; L14-L242 HydrophobicContact CB-CB 4.42Å; L14-L242 HydrophobicContact CD2-CD1 4.5Å; L14-L242 PolarHBondContact N-O 3.27Å; L14-L242 PolarHBondContact O-N 2.95Å
15P91.6Very high81.9Confident40 Ų4077.5 Ų77.526%0.2640%0.4SS..EExtended strand (participates in β ladder)trans-63.7129175.325.8-29.9000108.9W13 P17 L18 F19W13-P15 HydrophobicContact CH2-CB 3.96Å; W13-P15 HydrophobicContact CH2-CG 4.44Å; W13-P15 HydrophobicContact CZ3-CB 3.99Å; W13-P15 HydrophobicContact CZ3-CG 3.97Å; P15-P17 VanDerWaalsContact C-N 3.32Å; P15-L18 HydrophobicContact CG-CB 3.93Å; P15-L18 HydrophobicContact CG-CD2 4.31Å; P15-L18 WeakPolarHBondContact O-CB 3.33Å; P15-L18 PolarHBondContact O-N 2.75Å; P15-L18 VanDerWaalsContact O-N 3.1Å; P15-F19 PolarHBondContact O-N 3.05Å
16F90.2Very high84.2Confident0 Ų073 Ų730%038%0.376CS..Hα-helixtrans-58.4-35.9-175.9-167-94.9000114.1L14 L18 F19 V20 L87 I90 F237 V240 L242L14-F16 PolarHBondContact O-N 3Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 3.2Å; F16-F19 HydrophobicContact CE2-CD1 4.14Å; F16-F19 WeakPolarHBondContact O-CB 3.35Å; F16-F19 PolarHBondContact O-N 3Å; F16-F19 VanDerWaalsContact O-N 3.11Å; F16-V20 HydrophobicContact CD1-CG2 3.73Å; F16-V20 HydrophobicContact CE1-CG2 3.34Å; F16-V20 HydrophobicContact CZ-CG2 4Å; F16-V20 PolarHBondContact O-N 2.9Å; F16-V20 VanDerWaalsContact O-N 3.1Å; F16-L87 HydrophobicContact CE1-CD1 3.66Å; F16-L87 HydrophobicContact CZ-CD1 3.56Å; F16-I90 HydrophobicContact CD2-CD1 4.1Å; F16-I90 HydrophobicContact CE2-CD1 3.19Å; F16-I90 HydrophobicContact CZ-CD1 3.59Å; F16-I90 HydrophobicContact CZ-CG2 4.49Å; F16-F237 HydrophobicContact CB-CB 4.43Å; F16-F237 HydrophobicContact CD1-CB 3.39Å; F16-F237 AromaticContact CD1-CD2 4Å; F16-F237 HydrophobicContact CD1-CD2 4Å; F16-F237 HydrophobicContact CD1-CG 4.03Å; F16-F237 HydrophobicContact CE1-CB 3.9Å; F16-F237 AromaticContact CE1-CD2 3.57Å; F16-F237 HydrophobicContact CE1-CD2 3.57Å; F16-F237 HydrophobicContact CE1-CE2 4.43Å; F16-F237 HydrophobicContact CE1-CG 4.02Å; F16-F237 HydrophobicContact CG-CB 4.11Å; F16-F237 HydrophobicContact CZ-CD2 4.45Å; F16-V240 HydrophobicContact CB-CB 4.11Å; F16-V240 HydrophobicContact CB-CG1 4.32Å; F16-V240 WeakPolarHBondContact CB-O 3.35Å; F16-V240 PolarHBondContact N-O 3.23Å; F16-L242 HydrophobicContact CD2-CD1 4.22Å; F16-L242 HydrophobicContact CD2-CD2 4.24Å; F16-L242 HydrophobicContact CD2-CG 3.98Å; F16-L242 HydrophobicContact CE2-CD1 4.46Å; F16-L242 HydrophobicContact CE2-CD2 4.41Å; F16-L242 HydrophobicContact CE2-CG 4.48Å
17P93.2Very high86.2Confident29 Ų2962.9 Ų62.919%0.18833%0.332CS..Hα-helixtrans-56-41174.3-30.438.8000113.6P15 F19 V20 V21 A234 Q238P15-P17 VanDerWaalsContact C-N 3.32Å; P17-F19 VanDerWaalsContact C-N 3.27Å; P17-F19 PolarHBondContact O-N 2.9Å; P17-V20 PolarHBondContact O-N 2.05Å; P17-V21 WeakPolarHBondContact O-CB 3.07Å; P17-V21 WeakPolarHBondContact O-CG2 3.05Å; P17-V21 PolarHBondContact O-N 2.87Å; P17-A234 HydrophobicContact CB-CB 4Å; P17-A234 WeakPolarHBondContact CG-O 3.5Å; P17-Q238 HydrophobicContact CG-CB 4.14Å
18L91.9Very high88.1Confident96 Ų9663.9 Ų63.950%0.50333%0.328SS..Hα-helixtrans-62.5-40.3179.117860000110.7L14 P15 F16 A22L14-L18 HydrophobicContact CD1-CD2 3.85Å; P15-L18 HydrophobicContact CG-CB 3.93Å; P15-L18 HydrophobicContact CG-CD2 4.31Å; P15-L18 WeakPolarHBondContact O-CB 3.33Å; P15-L18 PolarHBondContact O-N 2.75Å; P15-L18 VanDerWaalsContact O-N 3.1Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 3.2Å; L18-A22 WeakPolarHBondContact O-CB 3.45Å; L18-A22 PolarHBondContact O-N 3.14Å
19F90.3Very high89.8Confident47 Ų4765 Ų6521%0.20633%0.33CS..Hα-helixtrans-61.9-45.5176.8-176.5-104.5000112.2L14 P15 F16 P17 G23 P83 L86 L242L14-F19 HydrophobicContact CD2-CB 4.02Å; L14-F19 HydrophobicContact CD2-CD2 4Å; L14-F19 HydrophobicContact CD2-CG 4.45Å; P15-F19 PolarHBondContact O-N 3.05Å; F16-F19 HydrophobicContact CE2-CD1 4.14Å; F16-F19 WeakPolarHBondContact O-CB 3.35Å; F16-F19 PolarHBondContact O-N 3Å; F16-F19 VanDerWaalsContact O-N 3.11Å; P17-F19 VanDerWaalsContact C-N 3.27Å; P17-F19 PolarHBondContact O-N 2.9Å; F19-G23 PolarHBondContact O-N 2.99Å; F19-G23 VanDerWaalsContact O-N 3.09Å; F19-P83 HydrophobicContact CD1-CB 4.41Å; F19-P83 HydrophobicContact CE1-CB 3.5Å; F19-P83 VanDerWaalsContact CE1-CB 3.5Å; F19-P83 HydrophobicContact CE1-CG 4.25Å; F19-P83 HydrophobicContact CE2-CB 4.18Å; F19-P83 HydrophobicContact CE2-CG 4.04Å; F19-P83 VanDerWaalsContact CZ-CA 3.46Å; F19-P83 HydrophobicContact CZ-CB 3.37Å; F19-P83 HydrophobicContact CZ-CG 3.61Å; F19-L86 HydrophobicContact CE1-CD2 3.91Å; F19-L86 HydrophobicContact CZ-CD2 3.95Å; F19-L242 HydrophobicContact CB-CD1 4.29Å; F19-L242 HydrophobicContact CD1-CD1 4.05Å; F19-L242 HydrophobicContact CD2-CD1 4.01Å; F19-L242 HydrophobicContact CE1-CD1 4.32Å; F19-L242 HydrophobicContact CE2-CD1 4.29Å; F19-L242 HydrophobicContact CG-CD1 3.86Å; F19-L242 HydrophobicContact CZ-CD1 4.41Å
20V94.3Very high91.1Very high10 Ų1057.2 Ų57.26%0.06130%0.3CS..Hα-helixtrans-65.2-50177.4176.30000111.2F16 P17 A22 G23 V24 L231 A233 A234F16-V20 HydrophobicContact CD1-CG2 3.73Å; F16-V20 HydrophobicContact CE1-CG2 3.34Å; F16-V20 HydrophobicContact CZ-CG2 4Å; F16-V20 PolarHBondContact O-N 2.9Å; F16-V20 VanDerWaalsContact O-N 3.1Å; P17-V20 PolarHBondContact O-N 2.05Å; V20-A22 PolarHBondContact O-N 3.15Å; V20-G23 PolarHBondContact O-N 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 3.09Å; V20-L231 HydrophobicContact CG1-CD1 4.4Å; V20-A233 HydrophobicContact CG1-CB 4.18Å; V20-A233 HydrophobicContact CG2-CB 4.19Å; V20-A234 HydrophobicContact CB-CB 4.35Å; V20-A234 HydrophobicContact CG1-CB 4.32Å
21V95.4Very high92.4Very high61 Ų6151.7 Ų51.737%0.3727%0.274SS..Hα-helixtrans-61.6-45.2-178.2172.90000110.5P17 G23 V24 S25 L231 A234P17-V21 WeakPolarHBondContact O-CB 3.07Å; P17-V21 WeakPolarHBondContact O-CG2 3.05Å; P17-V21 PolarHBondContact O-N 2.87Å; V21-G23 PolarHBondContact O-N 3.08Å; V21-V24 PolarHBondContact O-N 3.37Å; V21-S25 WeakPolarHBondContact O-CB 3.3Å; V21-S25 PolarHBondContact O-N 2.89Å; V21-S25 PolarHBondContact O-OG 2.95Å; V21-L231 HydrophobicContact CB-CD1 4.39Å; V21-L231 HydrophobicContact CG2-CD1 3.84Å; V21-A234 HydrophobicContact CG2-CB 4.25Å
22A94.1Very high93.3Very high53 Ų5349 Ų4944%0.43826%0.259SS..Hα-helixtrans-62.3-43.2178.300000111.7L18 V20 S25 L26L18-A22 WeakPolarHBondContact O-CB 3.45Å; L18-A22 PolarHBondContact O-N 3.14Å; V20-A22 PolarHBondContact O-N 3.15Å; A22-S25 PolarHBondContact O-N 3.22Å; A22-L26 WeakPolarHBondContact O-CB 3.43Å; A22-L26 PolarHBondContact O-N 2.77Å
23G92.9Very high93.9Very high10 Ų1048.1 Ų48.110%0.10326%0.255CS..Hα-helixtrans-59.1-52.9176.900000112.4F19 V20 V21 S25 L26 H80F19-G23 PolarHBondContact O-N 2.99Å; F19-G23 VanDerWaalsContact O-N 3.09Å; V20-G23 PolarHBondContact O-N 3.27Å; V21-G23 PolarHBondContact O-N 3.08Å; G23-S25 PolarHBondContact O-N 3.49Å; G23-L26 PolarHBondContact O-N 3.48Å; G23-H80 PolarHBondContact O-CD2 3.02Å
24V94.8Very high94.4Very high13 Ų1340.4 Ų40.48%0.07923%0.225CC..Hα-helixtrans-64-42.4-179.9174.30000111.2V20 V21 L26 S27 L28 M227 L231V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 3.09Å; V21-V24 PolarHBondContact O-N 3.37Å; V24-L26 VanDerWaalsContact C-N 3.3Å; V24-L26 PolarHBondContact O-N 3.49Å; V24-S27 PolarHBondContact O-N 3.4Å; V24-L28 WeakPolarHBondContact O-CB 3.46Å; V24-L28 PolarHBondContact O-N 3.35Å; V24-M227 HydrophobicContact CG1-CB 3.78Å; V24-M227 HydrophobicContact CG1-CG 4.07Å; V24-M227 HydrophobicContact CG1-SD 4.46Å; V24-L231 HydrophobicContact CB-CD1 4.35Å; V24-L231 HydrophobicContact CG2-CD1 4.4Å
25S94.9Very high94.9Very high38 Ų3840.1 Ų40.127%0.26622%0.224SC..Hα-helixtrans-61.9-38.5179.8-59.40000111.8V21 A22 G23 S27 L28 F29V21-S25 WeakPolarHBondContact O-CB 3.3Å; V21-S25 PolarHBondContact O-N 2.89Å; V21-S25 PolarHBondContact O-OG 2.95Å; A22-S25 PolarHBondContact O-N 3.22Å; G23-S25 PolarHBondContact O-N 3.49Å; S25-S27 PolarHBondContact O-N 3.03Å; S25-L28 PolarHBondContact O-N 3.18Å; S25-F29 WeakPolarHBondContact O-CB 3.36Å; S25-F29 WeakPolarHBondContact O-CD2 3.48Å; S25-F29 PolarHBondContact O-N 3.46Å
26L95.4Very high95.1Very high62 Ų6243.6 Ų43.633%0.32524%0.24SC..Hα-helixtrans-58.4-47.8178.3-179.364.8000111.9A22 G23 V24 G30 T76 L79A22-L26 WeakPolarHBondContact O-CB 3.43Å; A22-L26 PolarHBondContact O-N 2.77Å; G23-L26 PolarHBondContact O-N 3.48Å; V24-L26 VanDerWaalsContact C-N 3.3Å; V24-L26 PolarHBondContact O-N 3.49Å; L26-G30 PolarHBondContact O-N 3.29Å; L26-T76 HydrophobicContact CD1-CG2 4.02Å; L26-T76 HydrophobicContact CG-CG2 4.14Å; L26-L79 HydrophobicContact CD2-CB 3.62Å; L26-L79 HydrophobicContact CD2-CD1 4.01Å
27S94.5Very high95.5Very high2 Ų246.9 Ų46.91%0.01426%0.256CS..Hα-helixtrans-68-40.3177.1-62.80000112V24 S25 G30 L31 H80V24-S27 PolarHBondContact O-N 3.4Å; S25-S27 PolarHBondContact O-N 3.03Å; S27-G30 PolarHBondContact O-N 2.86Å; S27-L31 WeakPolarHBondContact O-CB 3.33Å; S27-L31 PolarHBondContact O-N 3.39Å; S27-H80 WeakPolarHBondContact OG-CB 3.38Å; S27-H80 VanDerWaalsContact OG-CG 3.3Å
28L96.7Very high95.6Very high57 Ų5745.5 Ų45.530%0.29825%0.247SC..Hα-helixtrans-62.2-50.3178.2-18062000112.2V24 S25 G30 L31 I32 M227V24-L28 WeakPolarHBondContact O-CB 3.46Å; V24-L28 PolarHBondContact O-N 3.35Å; S25-L28 PolarHBondContact O-N 3.18Å; L28-G30 VanDerWaalsContact C-N 3.35Å; L28-G30 PolarHBondContact O-N 3.36Å; L28-L31 WeakPolarHBondContact O-CB 3.24Å; L28-L31 PolarHBondContact O-N 2.97Å; L28-I32 HydrophobicContact CD1-CD1 4.15Å; L28-I32 HydrophobicContact CG-CD1 4.01Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 3.46Å; L28-M227 HydrophobicContact CB-SD 3.94Å; L28-M227 HydrophobicContact CD1-SD 4Å
29F97.1Very high95.8Very high127 Ų12743.1 Ų43.156%0.55724%0.237SC*.Hα-helixtrans-66.3-38.2178.3-74.9-63.8000111.9S25 L31 I32 I33S25-F29 WeakPolarHBondContact O-CB 3.36Å; S25-F29 WeakPolarHBondContact O-CD2 3.48Å; S25-F29 PolarHBondContact O-N 3.46Å; F29-L31 VanDerWaalsContact C-N 3.3Å; F29-L31 PolarHBondContact O-N 2.93Å; F29-I32 PolarHBondContact O-N 3.39Å; F29-I33 WeakPolarHBondContact O-CB 3.39Å; F29-I33 VanDerWaalsContact O-CG1 3.25Å; F29-I33 WeakPolarHBondContact O-CG1 3.39Å; F29-I33 PolarHBondContact O-N 2.88Å
30G97.1Very high96Very high3 Ų350.3 Ų50.33%0.03126%0.264CS..Hα-helixtrans-55.1-47.1171.800000111.9L26 S27 L28 I33 C34L26-G30 PolarHBondContact O-N 3.29Å; S27-G30 PolarHBondContact O-N 2.86Å; L28-G30 VanDerWaalsContact C-N 3.35Å; L28-G30 PolarHBondContact O-N 3.36Å; G30-I33 PolarHBondContact O-N 3.27Å; G30-C34 WeakPolarHBondContact O-CB 3.43Å; G30-C34 PolarHBondContact O-N 2.74Å; G30-C34 PolarHBondContact O-SG 3.03Å
31L97.5Very high96Very high7 Ų754.3 Ų54.34%0.03729%0.285CS..Hα-helixtrans-62.7-46.4177.6-17858.4000112.1S27 L28 F29 I33 C34 L35 I60 T64 W73 Y220S27-L31 WeakPolarHBondContact O-CB 3.33Å; S27-L31 PolarHBondContact O-N 3.39Å; L28-L31 WeakPolarHBondContact O-CB 3.24Å; L28-L31 PolarHBondContact O-N 2.97Å; F29-L31 VanDerWaalsContact C-N 3.3Å; F29-L31 PolarHBondContact O-N 2.93Å; L31-I33 PolarHBondContact O-N 2.96Å; L31-C34 PolarHBondContact O-N 3.12Å; L31-L35 WeakPolarHBondContact O-CB 3.5Å; L31-L35 PolarHBondContact O-N 2.64Å; L31-I60 HydrophobicContact CD1-CB 4.35Å; L31-I60 HydrophobicContact CD1-CD1 4.41Å; L31-I60 HydrophobicContact CD1-CG1 4.15Å; L31-I60 HydrophobicContact CD1-CG2 3.61Å; L31-I60 HydrophobicContact CD2-CD1 4.06Å; L31-T64 HydrophobicContact CD1-CG2 4.23Å; L31-W73 HydrophobicContact CB-CH2 4.19Å; L31-W73 HydrophobicContact CB-CZ3 3.7Å; L31-W73 HydrophobicContact CD1-CH2 4.31Å; L31-W73 HydrophobicContact CD1-CZ3 4.26Å; L31-Y220 HydrophobicContact CD1-CE1 3.92Å; L31-Y220 HydrophobicContact CD2-CD1 3.98Å; L31-Y220 HydrophobicContact CD2-CE1 3.99Å; L31-Y220 HydrophobicContact CG-CD1 4.45Å; L31-Y220 HydrophobicContact CG-CE1 3.99Å
32I97.7Very high96Very high68 Ų6854 Ų5435%0.34928%0.281SS..Hα-helixtrans-60.8-46179.5-69.1166.8000110.6L28 F29 C34 L35 L36L28-I32 HydrophobicContact CD1-CD1 4.15Å; L28-I32 HydrophobicContact CG-CD1 4.01Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 3.46Å; F29-I32 PolarHBondContact O-N 3.39Å; I32-C34 PolarHBondContact O-N 3.46Å; I32-L35 PolarHBondContact O-N 3.2Å; I32-L36 HydrophobicContact CG2-CD1 3.86Å; I32-L36 HydrophobicContact CG2-CG 4.3Å; I32-L36 WeakPolarHBondContact O-CB 3.36Å; I32-L36 VanDerWaalsContact O-CG 3.31Å; I32-L36 WeakPolarHBondContact O-CG 3.47Å; I32-L36 PolarHBondContact O-N 3.41Å
33I97.7Very high95.9Very high74 Ų7455 Ų5538%0.37928%0.276SS..Hα-helixtrans-62.3-45178-67.7167000110.3F29 G30 L31 L35 L36 I37 L72F29-I33 WeakPolarHBondContact O-CB 3.39Å; F29-I33 VanDerWaalsContact O-CG1 3.25Å; F29-I33 WeakPolarHBondContact O-CG1 3.39Å; F29-I33 PolarHBondContact O-N 2.88Å; G30-I33 PolarHBondContact O-N 3.27Å; L31-I33 PolarHBondContact O-N 2.96Å; I33-L35 PolarHBondContact O-N 3.09Å; I33-L36 PolarHBondContact O-N 3.24Å; I33-I37 HydrophobicContact CG2-CD1 3.52Å; I33-I37 HydrophobicContact CG2-CG1 4.21Å; I33-I37 WeakPolarHBondContact O-CB 3.24Å; I33-I37 VanDerWaalsContact O-CG1 3.31Å; I33-I37 WeakPolarHBondContact O-CG1 3.49Å; I33-I37 PolarHBondContact O-N 2.84Å; I33-L72 HydrophobicContact CB-CD2 3.99Å; I33-L72 HydrophobicContact CG2-CD2 3.52Å
34C97.5Very high95.9Very high0 Ų060.9 Ų60.90%031%0.305CS..Hα-helixtrans-59.9-45.8176.7-66.60000111.3G30 L31 I32 S38 V63 T64 Q69G30-C34 WeakPolarHBondContact O-CB 3.43Å; G30-C34 PolarHBondContact O-N 2.74Å; G30-C34 PolarHBondContact O-SG 3.03Å; L31-C34 PolarHBondContact O-N 3.12Å; I32-C34 PolarHBondContact O-N 3.46Å; C34-S38 WeakPolarHBondContact O-CB 3.3Å; C34-S38 PolarHBondContact O-N 3.14Å; C34-S38 PolarHBondContact O-OG 3.36Å; C34-V63 HydrophobicContact CB-CG2 4.46Å; C34-T64 HydrophobicContact CB-CG2 4.07Å; C34-Q69 HydrophobicContact CB-CB 4.15Å; C34-Q69 HydrophobicContact CB-CG 4.33Å
35L97.6Very high95.6Very high46 Ų4665 Ų6524%0.24132%0.323CS..Hα-helixtrans-59.1-51.9176.8171.360.4000111.5L31 I32 I33 S38 T39 P58 V63 Y220L31-L35 WeakPolarHBondContact O-CB 3.5Å; L31-L35 PolarHBondContact O-N 2.64Å; I32-L35 PolarHBondContact O-N 3.2Å; I33-L35 PolarHBondContact O-N 3.09Å; L35-S38 PolarHBondContact O-N 3.43Å; L35-T39 WeakPolarHBondContact CD1-OG1 3.49Å; L35-T39 WeakPolarHBondContact O-CB 3.46Å; L35-T39 PolarHBondContact O-N 3.33Å; L35-T39 PolarHBondContact O-OG1 2.97Å; L35-P58 HydrophobicContact CD1-CG 3.88Å; L35-V63 HydrophobicContact CB-CG2 4.4Å; L35-V63 HydrophobicContact CD1-CG1 4.16Å; L35-Y220 WeakPolarHBondContact CD1-OH 3.32Å; L35-Y220 HydrophobicContact CD2-CE1 4.15Å
36L97.2Very high95.5Very high113 Ų11363.3 Ų63.359%0.59231%0.311SS*.Hα-helixtrans-63.3-49.1-176.5-69.6175.4000112.2I32 I33 S38 Y40I32-L36 HydrophobicContact CG2-CD1 3.86Å; I32-L36 HydrophobicContact CG2-CG 4.3Å; I32-L36 WeakPolarHBondContact O-CB 3.36Å; I32-L36 VanDerWaalsContact O-CG 3.31Å; I32-L36 WeakPolarHBondContact O-CG 3.47Å; I32-L36 PolarHBondContact O-N 3.41Å; I33-L36 PolarHBondContact O-N 3.24Å; L36-S38 PolarHBondContact O-N 3.34Å; L36-Y40 VanDerWaalsContact O-CB 3.27Å; L36-Y40 WeakPolarHBondContact O-CB 3.31Å; L36-Y40 PolarHBondContact O-N 3.31Å
37I97.4Very high95.4Very high68 Ų6861 Ų6135%0.34930%0.3SS..Hα-helixtrans-66-41-178.1-62.7177.4000110.5I33 N41 Q69I33-I37 HydrophobicContact CG2-CD1 3.52Å; I33-I37 HydrophobicContact CG2-CG1 4.21Å; I33-I37 WeakPolarHBondContact O-CB 3.24Å; I33-I37 VanDerWaalsContact O-CG1 3.31Å; I33-I37 WeakPolarHBondContact O-CG1 3.49Å; I33-I37 PolarHBondContact O-N 2.84Å; I37-N41 WeakPolarHBondContact CG2-ND2 3.37Å; I37-N41 WeakPolarHBondContact O-CB 3.16Å; I37-N41 PolarHBondContact O-N 3.04Å; I37-N41 PolarHBondContact O-ND2 2.87Å; I37-Q69 HydrophobicContact CB-CG 4.49Å; I37-Q69 HydrophobicContact CG2-CG 4.49Å; I37-Q69 VanDerWaalsContact CG2-NE2 3.3Å
38S96.2Very high95.1Very high0 Ų068.1 Ų68.10%033%0.333CS..Hα-helixtrans-69.2-43.4-179.6-55.70000112.4C34 L35 L36 Y40 N42 V63 I66 Q69C34-S38 WeakPolarHBondContact O-CB 3.3Å; C34-S38 PolarHBondContact O-N 3.14Å; C34-S38 PolarHBondContact O-OG 3.36Å; L35-S38 PolarHBondContact O-N 3.43Å; L36-S38 PolarHBondContact O-N 3.34Å; S38-Y40 VanDerWaalsContact C-N 3.3Å; S38-Y40 PolarHBondContact O-N 3.3Å; S38-N42 CarbonylContact O-C 3.47Å; S38-N42 VanDerWaalsContact O-C 3.31Å; S38-N42 WeakPolarHBondContact O-CA 3.46Å; S38-N42 PolarHBondContact O-N 3.08Å; S38-V63 PolarHBondContact OG-O 3.32Å; S38-I66 WeakPolarHBondContact OG-CD1 3.34Å; S38-Q69 WeakPolarHBondContact OG-CG 3.39Å; S38-Q69 PolarHBondContact OG-NE2 2.79Å; S38-Q69 VanDerWaalsContact OG-NE2 3.1Å
39T94.9Very high94.7Very high46 Ų4666.1 Ų66.128%0.28232%0.324SS..Hα-helixtrans-65.3-35.9177.6-54.60000111L35 F43L35-T39 WeakPolarHBondContact CD1-OG1 3.49Å; L35-T39 WeakPolarHBondContact O-CB 3.46Å; L35-T39 PolarHBondContact O-N 3.33Å; L35-T39 PolarHBondContact O-OG1 2.97Å; T39-F43 HydrophobicContact CG2-CD2 3.58Å; T39-F43 HydrophobicContact CG2-CE2 3.88Å; T39-F43 WeakPolarHBondContact O-CB 3.25Å
40Y95.5Very high94.1Very high199 Ų19965.8 Ų65.878%0.7833%0.332SS*.Hα-helixtrans-74-43.8179.2-179.2-103.8000113.1L36 S38L36-Y40 VanDerWaalsContact O-CB 3.27Å; L36-Y40 WeakPolarHBondContact O-CB 3.31Å; L36-Y40 PolarHBondContact O-N 3.31Å; S38-Y40 VanDerWaalsContact C-N 3.3Å; S38-Y40 PolarHBondContact O-N 3.3Å
41N95.1Very high93.7Very high94 Ų9467.1 Ų67.150%0.50334%0.341SS..Hα-helixtrans-91.4-35.6-172.7-67.9-42.4000114I37I37-N41 WeakPolarHBondContact CG2-ND2 3.37Å; I37-N41 WeakPolarHBondContact O-CB 3.16Å; I37-N41 PolarHBondContact O-N 3.04Å; I37-N41 PolarHBondContact O-ND2 2.87Å
42N93.7Very high93.1Very high54 Ų5470.1 Ų70.129%0.28937%0.373SS..  trans-135.540.9-166.4-55.6-54.3000111.4S38 D44 E45 V46 I66S38-N42 CarbonylContact O-C 3.47Å; S38-N42 VanDerWaalsContact O-C 3.31Å; S38-N42 WeakPolarHBondContact O-CA 3.46Å; S38-N42 PolarHBondContact O-N 3.08Å; N42-D44 VanDerWaalsContact C-N 3.32Å; N42-D44 PolarHBondContact O-N 3.45Å; N42-E45 HydrophobicContact CB-CB 4.22Å; N42-E45 PolarHBondContact O-N 3.47Å; N42-V46 WeakPolarHBondContact O-CG2 3.26Å; N42-V46 PolarHBondContact O-N 3.46Å; N42-I66 HydrophobicContact CB-CD1 4.1Å
43F93.5Very high92.6Very high75 Ų7568.8 Ų68.833%0.32937%0.368SS..Hα-helixtrans-51.8-48.8-174.5-172.1-102.1000113T39 E45 V46 T47T39-F43 HydrophobicContact CG2-CD2 3.58Å; T39-F43 HydrophobicContact CG2-CE2 3.88Å; T39-F43 WeakPolarHBondContact O-CB 3.25Å; F43-E45 VanDerWaalsContact C-N 3.35Å; F43-E45 PolarHBondContact O-N 3.31Å; F43-V46 WeakPolarHBondContact O-CG2 3.25Å; F43-V46 PolarHBondContact O-N 3.1Å; F43-T47 HydrophobicContact CD1-CG2 4.38Å; F43-T47 HydrophobicContact CD2-CG2 4.21Å; F43-T47 HydrophobicContact CE1-CG2 4.05Å; F43-T47 HydrophobicContact CE2-CG2 3.86Å; F43-T47 HydrophobicContact CG-CG2 4.47Å; F43-T47 HydrophobicContact CZ-CG2 3.79Å; F43-T47 WeakPolarHBondContact O-CB 3.41Å; F43-T47 WeakPolarHBondContact O-CG2 3.4Å; F43-T47 PolarHBondContact O-N 3.12Å; F43-T47 PolarHBondContact O-OG1 3.16Å
44D91.2Very high92.2Very high132 Ų13269.8 Ų69.871%0.70638%0.382SS*.Hα-helixtrans-63.2-42.4-177.2-61.4-36.8000111.1N42 T47 E48N42-D44 VanDerWaalsContact C-N 3.32Å; N42-D44 PolarHBondContact O-N 3.45Å; D44-T47 PolarHBondContact O-N 3.09Å; D44-E48 WeakPolarHBondContact O-CB 3.37Å; D44-E48 PolarHBondContact O-N 2.97Å
45E90.3Very high92Very high99 Ų9970.2 Ų70.246%0.46338%0.384SS..Hα-helixtrans-64.8-42.8178.2-172.6-176.1168.600112N42 F43 T47N42-E45 HydrophobicContact CB-CB 4.22Å; N42-E45 PolarHBondContact O-N 3.47Å; F43-E45 VanDerWaalsContact C-N 3.35Å; F43-E45 PolarHBondContact O-N 3.31Å; E45-T47 VanDerWaalsContact C-N 3.34Å
46V92.2Very high91.8Very high3 Ų372.8 Ų72.82%0.01839%0.393CS..Hα-helixtrans-80.9-14.5-177.4-61.10000114.1N42 F43 P58 A62 V63 I66N42-V46 WeakPolarHBondContact O-CG2 3.26Å; N42-V46 PolarHBondContact O-N 3.46Å; F43-V46 WeakPolarHBondContact O-CG2 3.25Å; F43-V46 PolarHBondContact O-N 3.1Å; V46-P58 HydrophobicContact CB-CB 3.7Å; V46-P58 HydrophobicContact CB-CG 4.49Å; V46-P58 HydrophobicContact CG2-CB 3.56Å; V46-P58 HydrophobicContact CG2-CG 3.92Å; V46-P58 WeakPolarHBondContact O-CB 3.11Å; V46-A62 HydrophobicContact CB-CB 4.15Å; V46-A62 WeakPolarHBondContact O-CB 3.49Å; V46-V63 HydrophobicContact CB-CG1 4.31Å; V46-V63 HydrophobicContact CG1-CG1 4.48Å; V46-V63 HydrophobicContact CG2-CG1 4.38Å; V46-I66 HydrophobicContact CG1-CD1 3.81Å; V46-I66 HydrophobicContact CG1-CG1 4.39Å; V46-I66 HydrophobicContact CG1-CG2 4.25Å
47T92.2Very high91.7Very high14 Ų1469 Ų699%0.08638%0.375CS..Hα-helixtrans-104-4.4175.659.90000113.5F43 D44 E45 S49 N55 P58F43-T47 HydrophobicContact CD1-CG2 4.38Å; F43-T47 HydrophobicContact CD2-CG2 4.21Å; F43-T47 HydrophobicContact CE1-CG2 4.05Å; F43-T47 HydrophobicContact CE2-CG2 3.86Å; F43-T47 HydrophobicContact CG-CG2 4.47Å; F43-T47 HydrophobicContact CZ-CG2 3.79Å; F43-T47 WeakPolarHBondContact O-CB 3.41Å; F43-T47 WeakPolarHBondContact O-CG2 3.4Å; F43-T47 PolarHBondContact O-N 3.12Å; F43-T47 PolarHBondContact O-OG1 3.16Å; D44-T47 PolarHBondContact O-N 3.09Å; E45-T47 VanDerWaalsContact C-N 3.34Å; T47-S49 PolarHBondContact O-N 3.48Å; T47-N55 PolarHBondContact O-ND2 3.28Å; T47-N55 VanDerWaalsContact O-ND2 3.14Å; T47-P58 HydrophobicContact CG2-CB 4.17Å
48E88.8Confident91.7Very high151 Ų15165.9 Ų65.971%0.70636%0.359SS*.  trans-60.4135.3174.3-168.6171.9-171.500110.3D44D44-E48 WeakPolarHBondContact O-CB 3.37Å; D44-E48 PolarHBondContact O-N 2.97Å
49S87.6Confident91.7Very high16 Ų1666.3 Ų66.311%0.11236%0.362CS..  trans-140.6155.4-177.678.70000109.7T47 C51 G52 N55T47-S49 PolarHBondContact O-N 3.48Å; S49-C51 PolarHBondContact O-N 3.35Å; S49-G52 PolarHBondContact O-N 3.25Å; S49-N55 PolarHBondContact OG-ND2 3.36Å
50V85.9Confident91.8Very high119 Ų11964.9 Ų64.972%0.72135%0.352SS*.THydrogen-bonded Turntrans-54.8-29.1-175.21790000113
51C87.4Confident91.8Very high32 Ų3255.9 Ų55.922%0.21632%0.319CS..THydrogen-bonded Turntrans-83.5-9.1180-64.70000114.2S49 V53 H203 C207S49-C51 PolarHBondContact O-N 3.35Å; C51-V53 HydrophobicContact CB-CG1 4.16Å; C51-V53 HydrophobicContact CB-CG2 4.16Å; C51-V53 PolarHBondContact O-N 2.99Å; C51-V53 VanDerWaalsContact O-N 3.14Å; C51-H203 PolarHBondContact SG-O 3.48Å; C51-C207 HydrophobicContact CB-CB 3.55Å; C51-C207 WeakPolarHBondContact CB-SG 3.48Å; C51-C207 WeakPolarHBondContact SG-CA 3.42Å; C51-C207 WeakPolarHBondContact SG-CB 3.43Å; C51-C207 CovalentContact SG-SG 2.05Å; C51-C207 PolarHBondContact SG-SG 3.34Å
52G85.2Confident91.9Very high70 Ų7052.1 Ų52.172%0.72230%0.301SS*.  trans61.520.1-178.100000114.7S49S49-G52 PolarHBondContact O-N 3.25Å
53V88.5Confident92Very high40 Ų4049.5 Ų49.524%0.24229%0.287CS..  trans-87.3153.9178.9-63.50000111.4C51 N55C51-V53 HydrophobicContact CB-CG1 4.16Å; C51-V53 HydrophobicContact CB-CG2 4.16Å; C51-V53 PolarHBondContact O-N 2.99Å; C51-V53 VanDerWaalsContact O-N 3.14Å; V53-N55 PolarHBondContact O-ND2 2.91Å; V53-N55 VanDerWaalsContact O-ND2 3.16Å
54S88.6Confident92.2Very high94 Ų9446.4 Ų46.466%0.65727%0.274SS*.  trans-59.6137.8175.8-176.40000111.6N210S54-N210 PolarHBondContact O-N 3.44Å; S54-N210 VanDerWaalsContact O-N 3.12Å; S54-N210 PolarHBondContact O-OD1 2.95Å; S54-N210 VanDerWaalsContact O-OD1 3.1Å
55N92.6Very high92.3Very high9 Ų940.2 Ų40.25%0.04824%0.241CC..  trans-141.8150.7-179.9-71.1-52000109.2T47 S49 V53 N210 F212 S213T47-N55 PolarHBondContact O-ND2 3.28Å; T47-N55 VanDerWaalsContact O-ND2 3.14Å; S49-N55 PolarHBondContact OG-ND2 3.36Å; V53-N55 PolarHBondContact O-ND2 2.91Å; V53-N55 VanDerWaalsContact O-ND2 3.16Å; N55-N210 WeakPolarHBondContact OD1-CA 3.33Å; N55-F212 HydrophobicContact CB-CD1 4.3Å; N55-F212 WeakPolarHBondContact OD1-CB 3.3Å; N55-S213 VanDerWaalsContact CA-OG 3.25Å; N55-S213 WeakPolarHBondContact CA-OG 3.26Å; N55-S213 VanDerWaalsContact CB-OG 3.26Å; N55-S213 WeakPolarHBondContact CB-OG 3.45Å; N55-S213 PolarHBondContact OD1-OG 3.14Å
56F93.7Very high92.5Very high101 Ų10135.7 Ų35.744%0.44322%0.22SC..SBendtrans-124.8-12.5-177.562.8-94.9000114.6N210 S213 W214F56-N210 HydrophobicContact CD1-CB 4.14Å; F56-N210 WeakPolarHBondContact CD1-OD1 3.33Å; F56-N210 HydrophobicContact CE1-CB 3.69Å; F56-S213 PolarHBondContact N-OG 2.91Å; F56-W214 HydrophobicContact CZ-CZ2 4.32Å
57V95.5Very high92.6Very high32 Ų3242.5 Ų42.519%0.19425%0.25CC..SBendtrans-126.2121.5172.4-179.10000110S213 S216 Y220V57-S213 PolarHBondContact N-OG 3.49Å; V57-S213 VanDerWaalsContact N-OG 3.12Å; V57-S213 WeakPolarHBondContact O-CA 3.47Å; V57-S216 WeakPolarHBondContact O-CB 3.1Å; V57-S216 PolarHBondContact O-OG 3.24Å; V57-Y220 HydrophobicContact CG1-CD2 4.17Å; V57-Y220 HydrophobicContact CG1-CE2 3.93Å
58P96.5Very high92.8Very high3 Ų346.2 Ų46.22%0.01927%0.274CS..  trans-75.7153.8173.833.5-36.8000111.6L35 V46 T47 A62 V63 S216 Y220L35-P58 HydrophobicContact CD1-CG 3.88Å; V46-P58 HydrophobicContact CB-CB 3.7Å; V46-P58 HydrophobicContact CB-CG 4.49Å; V46-P58 HydrophobicContact CG2-CB 3.56Å; V46-P58 HydrophobicContact CG2-CG 3.92Å; V46-P58 WeakPolarHBondContact O-CB 3.11Å; T47-P58 HydrophobicContact CG2-CB 4.17Å; P58-A62 HydrophobicContact CB-CB 4.5Å; P58-V63 HydrophobicContact CB-CG1 3.64Å; P58-V63 HydrophobicContact CG-CG1 3.35Å; P58-S216 WeakPolarHBondContact O-CB 3.14Å; P58-Y220 VanDerWaalsContact O-CE2 3.28Å; P58-Y220 WeakPolarHBondContact O-CE2 3.4Å
59S96.5Very high93.1Very high10 Ų1039.3 Ų39.37%0.0724%0.241CC..  trans-70.9160.117565.50000112.2S61 A62 V63 S216 E219S59-S61 VanDerWaalsContact C-N 3.28Å; S59-S61 PolarHBondContact O-N 2.79Å; S59-A62 PolarHBondContact O-N 3.17Å; S59-A62 VanDerWaalsContact O-N 3.13Å; S59-A62 VanDerWaalsContact OG-CB 3.26Å; S59-A62 WeakPolarHBondContact OG-CB 3.31Å; S59-A62 PolarHBondContact OG-N 3.4Å; S59-A62 VanDerWaalsContact OG-N 3.11Å; S59-V63 PolarHBondContact O-N 2.84Å; S59-V63 VanDerWaalsContact O-N 3.14Å; S59-S216 VanDerWaalsContact CA-OG 3.23Å; S59-S216 WeakPolarHBondContact CA-OG 3.24Å; S59-S216 WeakPolarHBondContact CB-OG 3.41Å; S59-S216 PolarHBondContact N-OG 2.93Å; S59-S216 VanDerWaalsContact N-OG 3.08Å; S59-E219 WeakPolarHBondContact CB-OE2 3.39Å
60I97.2Very high93.5Very high15 Ų1538.9 Ų38.98%0.07724%0.238CC..Hα-helixtrans-59-45.8175.8-63.5-178.3000109.6L31 A62 V63 T64 W73 E219 Y220 A223L31-I60 HydrophobicContact CD1-CB 4.35Å; L31-I60 HydrophobicContact CD1-CD1 4.41Å; L31-I60 HydrophobicContact CD1-CG1 4.15Å; L31-I60 HydrophobicContact CD1-CG2 3.61Å; L31-I60 HydrophobicContact CD2-CD1 4.06Å; I60-A62 VanDerWaalsContact C-N 3.26Å; I60-A62 PolarHBondContact O-N 3.11Å; I60-V63 WeakPolarHBondContact O-CG2 3.38Å; I60-V63 PolarHBondContact O-N 3.09Å; I60-T64 HydrophobicContact CG2-CG2 4.11Å; I60-T64 WeakPolarHBondContact O-CB 3.36Å; I60-T64 WeakPolarHBondContact O-CG2 3.38Å; I60-T64 PolarHBondContact O-N 3.5Å; I60-T64 PolarHBondContact O-OG1 3Å; I60-W73 HydrophobicContact CG2-CZ2 4.47Å; I60-E219 HydrophobicContact CB-CG 4.38Å; I60-E219 WeakPolarHBondContact CB-OE1 3.44Å; I60-E219 HydrophobicContact CD1-CG 3.85Å; I60-E219 HydrophobicContact CG1-CG 4.01Å; I60-E219 PolarHBondContact N-OE2 2.98Å; I60-Y220 HydrophobicContact CD1-CD1 4.01Å; I60-Y220 HydrophobicContact CD1-CE1 4.22Å; I60-Y220 HydrophobicContact CD1-CG 4.45Å; I60-Y220 HydrophobicContact CG1-CD1 3.78Å; I60-Y220 HydrophobicContact CG1-CD2 4.44Å; I60-Y220 HydrophobicContact CG1-CE1 3.55Å; I60-Y220 HydrophobicContact CG1-CE2 4.24Å; I60-Y220 HydrophobicContact CG1-CG 4.19Å; I60-A223 HydrophobicContact CD1-CB 3.81Å
61S96.3Very high94.1Very high11 Ų1139.5 Ų39.58%0.07723%0.228CC..Hα-helixtrans-63.7-29.2178.6-620000113.2S59 G65 N134 H141S59-S61 VanDerWaalsContact C-N 3.28Å; S59-S61 PolarHBondContact O-N 2.79Å; S61-G65 WeakPolarHBondContact O-CA 3.4Å; S61-G65 PolarHBondContact O-N 2.7Å; S61-N134 PolarHBondContact O-OD1 2.86Å; S61-H141 WeakPolarHBondContact CB-NE2 3.28Å; S61-H141 PolarHBondContact OG-CE1 3.41Å; S61-H141 PolarHBondContact OG-NE2 3.13Å
62A95.9Very high94.6Very high14 Ų1440.8 Ų40.812%0.11623%0.232CC..Hα-helixtrans-70.1-49.1174.200000111.8V46 P58 S59 I60 T64 G65V46-A62 HydrophobicContact CB-CB 4.15Å; V46-A62 WeakPolarHBondContact O-CB 3.49Å; P58-A62 HydrophobicContact CB-CB 4.5Å; S59-A62 PolarHBondContact O-N 3.17Å; S59-A62 VanDerWaalsContact O-N 3.13Å; S59-A62 VanDerWaalsContact OG-CB 3.26Å; S59-A62 WeakPolarHBondContact OG-CB 3.31Å; S59-A62 PolarHBondContact OG-N 3.4Å; S59-A62 VanDerWaalsContact OG-N 3.11Å; I60-A62 VanDerWaalsContact C-N 3.26Å; I60-A62 PolarHBondContact O-N 3.11Å; A62-T64 VanDerWaalsContact C-N 3.31Å; A62-T64 PolarHBondContact O-N 3.13Å; A62-G65 PolarHBondContact O-N 2.95Å
63V97.3Very high95.1Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-74.7-20.6-177.7-56.20000113.8C34 L35 S38 V46 P58 S59 I60 Q69 Y220C34-V63 HydrophobicContact CB-CG2 4.46Å; L35-V63 HydrophobicContact CB-CG2 4.4Å; L35-V63 HydrophobicContact CD1-CG1 4.16Å; S38-V63 PolarHBondContact OG-O 3.32Å; V46-V63 HydrophobicContact CB-CG1 4.31Å; V46-V63 HydrophobicContact CG1-CG1 4.48Å; V46-V63 HydrophobicContact CG2-CG1 4.38Å; P58-V63 HydrophobicContact CB-CG1 3.64Å; P58-V63 HydrophobicContact CG-CG1 3.35Å; S59-V63 PolarHBondContact O-N 2.84Å; S59-V63 VanDerWaalsContact O-N 3.14Å; I60-V63 WeakPolarHBondContact O-CG2 3.38Å; I60-V63 PolarHBondContact O-N 3.09Å; V63-Q69 WeakPolarHBondContact O-CB 3.5Å; V63-Y220 WeakPolarHBondContact CG2-OH 3.45Å
64T96.7Very high95.6Very high9 Ų938.3 Ų38.36%0.05520%0.197CC..Hα-helixtrans-98.7-11.4175.861.30000112.9L31 C34 I60 A62 I70 W73L31-T64 HydrophobicContact CD1-CG2 4.23Å; C34-T64 HydrophobicContact CB-CG2 4.07Å; I60-T64 HydrophobicContact CG2-CG2 4.11Å; I60-T64 WeakPolarHBondContact O-CB 3.36Å; I60-T64 WeakPolarHBondContact O-CG2 3.38Å; I60-T64 PolarHBondContact O-N 3.5Å; I60-T64 PolarHBondContact O-OG1 3Å; A62-T64 VanDerWaalsContact C-N 3.31Å; A62-T64 PolarHBondContact O-N 3.13Å; T64-I70 WeakPolarHBondContact O-CA 3.44Å; T64-I70 WeakPolarHBondContact O-CB 3.21Å; T64-I70 WeakPolarHBondContact O-CG1 3.07Å; T64-I70 PolarHBondContact O-N 3.14Å; T64-W73 VanDerWaalsContact CB-CD1 3.47Å; T64-W73 HydrophobicContact CG2-CB 3.99Å; T64-W73 HydrophobicContact CG2-CD2 3.51Å; T64-W73 HydrophobicContact CG2-CE3 3.96Å; T64-W73 HydrophobicContact CG2-CG 3.5Å
65G94.3Very high96Very high2 Ų239.9 Ų39.92%0.02119%0.192CC..Hα-helixtrans-83.5-21.8178.400000114.4S61 A62 S133S61-G65 WeakPolarHBondContact O-CA 3.4Å; S61-G65 PolarHBondContact O-N 2.7Å; A62-G65 PolarHBondContact O-N 2.95Å; G65-S133 WeakPolarHBondContact CA-OG 3.47Å
66I94.2Very high96.2Very high5 Ų539.6 Ų39.63%0.02619%0.191CC..SBendtrans-87157.7-178.363.3163000113S38 N42 V46 Q69 I70S38-I66 WeakPolarHBondContact OG-CD1 3.34Å; N42-I66 HydrophobicContact CB-CD1 4.1Å; V46-I66 HydrophobicContact CG1-CD1 3.81Å; V46-I66 HydrophobicContact CG1-CG1 4.39Å; V46-I66 HydrophobicContact CG1-CG2 4.25Å; I66-Q69 HydrophobicContact CG1-CB 4.47Å; I66-Q69 PolarHBondContact O-N 3.49Å; I66-Q69 VanDerWaalsContact O-N 3.14Å; I66-Q69 PolarHBondContact O-OE1 3.45Å; I66-I70 PolarHBondContact O-N 2.99Å
67K94.6Very high96.3Very high146 Ų14634.8 Ų34.864%0.63517%0.17SC*.THydrogen-bonded Turntrans-92.4141.6179.1-67.7174.1-174.5170.50111.3Q69 I70 Y71K67-Q69 PolarHBondContact O-OE1 3.24Å; K67-Q69 VanDerWaalsContact O-OE1 3.12Å; K67-I70 HydrophobicContact CG-CG2 3.79Å; K67-Y71 HydrophobicContact CD-CE2 4.45Å; K67-Y71 HydrophobicContact CG-CE2 4.17Å
68P94.5Very high96.4Very high91 Ų9134.5 Ų34.559%0.59117%0.173SC*.THydrogen-bonded Turncis-87.31.82.135.7-37.4000115.7I70 Y71P68-I70 VanDerWaalsContact C-N 3.26Å; P68-I70 PolarHBondContact O-N 3.02Å; P68-Y71 HydrophobicContact CB-CD2 4.22Å; P68-Y71 WeakPolarHBondContact O-CB 3.46Å; P68-Y71 WeakPolarHBondContact O-CD2 3.49Å; P68-Y71 PolarHBondContact O-N 3.48Å
69Q96.5Very high96.3Very high6 Ų638.6 Ų38.63%0.02819%0.194CC..Hα-helixtrans-58.3-35.6-173.1-65.785.9-26.300112.6C34 I37 S38 V63 I66 K67 Y71 L72 W73C34-Q69 HydrophobicContact CB-CB 4.15Å; C34-Q69 HydrophobicContact CB-CG 4.33Å; I37-Q69 HydrophobicContact CB-CG 4.49Å; I37-Q69 HydrophobicContact CG2-CG 4.49Å; I37-Q69 VanDerWaalsContact CG2-NE2 3.3Å; S38-Q69 WeakPolarHBondContact OG-CG 3.39Å; S38-Q69 PolarHBondContact OG-NE2 2.79Å; S38-Q69 VanDerWaalsContact OG-NE2 3.1Å; V63-Q69 WeakPolarHBondContact O-CB 3.5Å; I66-Q69 HydrophobicContact CG1-CB 4.47Å; I66-Q69 PolarHBondContact O-N 3.49Å; I66-Q69 VanDerWaalsContact O-N 3.14Å; I66-Q69 PolarHBondContact O-OE1 3.45Å; K67-Q69 PolarHBondContact O-OE1 3.24Å; K67-Q69 VanDerWaalsContact O-OE1 3.12Å; Q69-Y71 PolarHBondContact O-N 3.5Å; Q69-L72 WeakPolarHBondContact O-CB 3.13Å; Q69-L72 PolarHBondContact O-N 3.31Å; Q69-L72 VanDerWaalsContact O-N 3.11Å; Q69-W73 WeakPolarHBondContact O-CB 3.39Å; Q69-W73 PolarHBondContact O-N 3.32Å
70I96.6Very high96.2Very high7 Ų739.1 Ų39.14%0.03620%0.196CC..Hα-helixtrans-54.9-37.1174.6-167.5171.6000113.3T64 I66 K67 P68 R74T64-I70 WeakPolarHBondContact O-CA 3.44Å; T64-I70 WeakPolarHBondContact O-CB 3.21Å; T64-I70 WeakPolarHBondContact O-CG1 3.07Å; T64-I70 PolarHBondContact O-N 3.14Å; I66-I70 PolarHBondContact O-N 2.99Å; K67-I70 HydrophobicContact CG-CG2 3.79Å; P68-I70 VanDerWaalsContact C-N 3.26Å; P68-I70 PolarHBondContact O-N 3.02Å; I70-R74 HydrophobicContact CG1-CG 4.5Å; I70-R74 WeakPolarHBondContact O-CB 3.37Å; I70-R74 VanDerWaalsContact O-CG 3.24Å; I70-R74 WeakPolarHBondContact O-CG 3.46Å; I70-R74 PolarHBondContact O-N 2.7Å
71Y97.1Very high96.1Very high133 Ų13339.7 Ų39.752%0.52220%0.201SC..Hα-helixtrans-71.5-41.7178.2-56.4-60.9000111.3K67 P68 Q69 F75K67-Y71 HydrophobicContact CD-CE2 4.45Å; K67-Y71 HydrophobicContact CG-CE2 4.17Å; P68-Y71 HydrophobicContact CB-CD2 4.22Å; P68-Y71 WeakPolarHBondContact O-CB 3.46Å; P68-Y71 WeakPolarHBondContact O-CD2 3.49Å; P68-Y71 PolarHBondContact O-N 3.48Å; Q69-Y71 PolarHBondContact O-N 3.5Å; Y71-F75 VanDerWaalsContact O-CB 3.3Å; Y71-F75 WeakPolarHBondContact O-CB 3.47Å; Y71-F75 PolarHBondContact O-N 3.02Å
72L97.4Very high95.9Very high58 Ų5842.1 Ų42.130%0.30422%0.222SC..Hα-helixtrans-60.7-46.8174.3176.362.7000110.5I33 Q69 F75 T76I33-L72 HydrophobicContact CB-CD2 3.99Å; I33-L72 HydrophobicContact CG2-CD2 3.52Å; Q69-L72 WeakPolarHBondContact O-CB 3.13Å; Q69-L72 PolarHBondContact O-N 3.31Å; Q69-L72 VanDerWaalsContact O-N 3.11Å; L72-F75 PolarHBondContact O-N 3.34Å; L72-T76 HydrophobicContact CD1-CG2 4.15Å; L72-T76 WeakPolarHBondContact O-CG2 3.45Å; L72-T76 PolarHBondContact O-N 2.96Å; L72-T76 PolarHBondContact O-OG1 3.35Å
73W97.6Very high95.8Very high10 Ų1042.8 Ų42.84%0.03823%0.225CC..Hα-helixtrans-62.8-47.7-179.7-175-120.3000112.7L31 I60 T64 Q69 F75 T76 V77 F126L31-W73 HydrophobicContact CB-CH2 4.19Å; L31-W73 HydrophobicContact CB-CZ3 3.7Å; L31-W73 HydrophobicContact CD1-CH2 4.31Å; L31-W73 HydrophobicContact CD1-CZ3 4.26Å; I60-W73 HydrophobicContact CG2-CZ2 4.47Å; T64-W73 VanDerWaalsContact CB-CD1 3.47Å; T64-W73 HydrophobicContact CG2-CB 3.99Å; T64-W73 HydrophobicContact CG2-CD2 3.51Å; T64-W73 HydrophobicContact CG2-CE3 3.96Å; T64-W73 HydrophobicContact CG2-CG 3.5Å; Q69-W73 WeakPolarHBondContact O-CB 3.39Å; Q69-W73 PolarHBondContact O-N 3.32Å; W73-F75 VanDerWaalsContact C-N 3.27Å; W73-F75 PolarHBondContact O-N 3Å; W73-T76 PolarHBondContact O-N 2.91Å; W73-T76 PolarHBondContact O-OG1 3.45Å; W73-V77 HydrophobicContact CD2-CG2 3.93Å; W73-V77 HydrophobicContact CE3-CG2 4.27Å; W73-V77 HydrophobicContact CH2-CG2 4.09Å; W73-V77 HydrophobicContact CZ2-CG2 3.74Å; W73-V77 HydrophobicContact CZ3-CG2 4.33Å; W73-V77 WeakPolarHBondContact O-CB 3.36Å; W73-V77 WeakPolarHBondContact O-CG2 3.41Å; W73-V77 PolarHBondContact O-N 2.98Å; W73-F126 HydrophobicContact CH2-CZ 4.14Å; W73-F126 HydrophobicContact CZ2-CE2 4.19Å; W73-F126 AromaticContact CZ2-CZ 3.85Å; W73-F126 HydrophobicContact CZ2-CZ 3.85Å
74R97.7Very high95.7Very high49 Ų4943.2 Ų43.219%0.18523%0.227CC..Hα-helixtrans-59.5-39.8175.3-74.9172.2173.6171-3.4111.8I70 G78 A130 F131 E136I70-R74 HydrophobicContact CG1-CG 4.5Å; I70-R74 WeakPolarHBondContact O-CB 3.37Å; I70-R74 VanDerWaalsContact O-CG 3.24Å; I70-R74 WeakPolarHBondContact O-CG 3.46Å; I70-R74 PolarHBondContact O-N 2.7Å; R74-G78 WeakPolarHBondContact O-CA 3.3Å; R74-G78 PolarHBondContact O-N 2.97Å; R74-A130 WeakPolarHBondContact CG-O 3.27Å; R74-F131 HydrophobicContact CB-CE1 4.34Å; R74-F131 HydrophobicContact CB-CE2 4.38Å; R74-F131 HydrophobicContact CB-CZ 4.17Å; R74-F131 HydrophobicContact CG-CD1 4.38Å; R74-F131 HydrophobicContact CG-CD2 4.46Å; R74-F131 HydrophobicContact CG-CE1 4.48Å; R74-F131 HydrophobicContact CG-CG 4.38Å; R74-F131 PolarHBondContact NE-O 3.24Å; R74-F131 PolarHBondContact NH2-O 3.23Å; R74-E136 IonicContact CZ-OE1 3.32Å; R74-E136 IonicContact NH1-OE1 2.67Å; R74-E136 IonicContact NH2-OE1 3.46Å; R74-E136 PolarHBondContact NH2-OE1 3.33Å; R74-E136 IonicContact NH2-OE2 3.7Å; R74-E136 PolarHBondContact NH2-OE2 2.95Å
75F96.8Very high95.6Very high126 Ų12646 Ų4655%0.55324%0.24SC*.Hα-helixtrans-64.9-49177.7179.5-100.4000112.1Y71 L72 W73 G78 L79Y71-F75 VanDerWaalsContact O-CB 3.3Å; Y71-F75 WeakPolarHBondContact O-CB 3.47Å; Y71-F75 PolarHBondContact O-N 3.02Å; L72-F75 PolarHBondContact O-N 3.34Å; W73-F75 VanDerWaalsContact C-N 3.27Å; W73-F75 PolarHBondContact O-N 3Å; F75-G78 PolarHBondContact O-N 3.11Å; F75-L79 HydrophobicContact CD1-CD1 4.03Å; F75-L79 HydrophobicContact CE1-CD1 3.39Å; F75-L79 HydrophobicContact CE1-CG 4.39Å; F75-L79 HydrophobicContact CE2-CD1 3.94Å; F75-L79 HydrophobicContact CE2-CG 4.32Å; F75-L79 HydrophobicContact CZ-CD1 3.34Å; F75-L79 HydrophobicContact CZ-CG 4.2Å; F75-L79 PolarHBondContact O-N 3.23Å
76T97.3Very high95.6Very high4 Ų449 Ų493%0.02526%0.256CS..Hα-helixtrans-65.8-42.6-179.356.90000111.8L26 L72 W73 H80L26-T76 HydrophobicContact CD1-CG2 4.02Å; L26-T76 HydrophobicContact CG-CG2 4.14Å; L72-T76 HydrophobicContact CD1-CG2 4.15Å; L72-T76 WeakPolarHBondContact O-CG2 3.45Å; L72-T76 PolarHBondContact O-N 2.96Å; L72-T76 PolarHBondContact O-OG1 3.35Å; W73-T76 PolarHBondContact O-N 2.91Å; W73-T76 PolarHBondContact O-OG1 3.45Å; T76-H80 VanDerWaalsContact O-CB 3.22Å; T76-H80 WeakPolarHBondContact O-CB 3.22Å; T76-H80 PolarHBondContact O-N 2.65Å
77V96.7Very high95.6Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-67.5-41.6176.5175.10000111.4W73 H80 S81 F126 V127 A130W73-V77 HydrophobicContact CD2-CG2 3.93Å; W73-V77 HydrophobicContact CE3-CG2 4.27Å; W73-V77 HydrophobicContact CH2-CG2 4.09Å; W73-V77 HydrophobicContact CZ2-CG2 3.74Å; W73-V77 HydrophobicContact CZ3-CG2 4.33Å; W73-V77 WeakPolarHBondContact O-CB 3.36Å; W73-V77 WeakPolarHBondContact O-CG2 3.41Å; W73-V77 PolarHBondContact O-N 2.98Å; V77-H80 PolarHBondContact O-N 2.84Å; V77-S81 PolarHBondContact O-N 3.48Å; V77-F126 HydrophobicContact CB-CE1 4.35Å; V77-F126 HydrophobicContact CG1-CD1 3.9Å; V77-F126 HydrophobicContact CG1-CE1 3.7Å; V77-F126 HydrophobicContact CG1-CZ 4.5Å; V77-F126 HydrophobicContact CG2-CE1 3.8Å; V77-F126 HydrophobicContact CG2-CZ 3.92Å; V77-V127 HydrophobicContact CG1-CG2 4.18Å; V77-A130 HydrophobicContact CB-CB 3.78Å; V77-A130 HydrophobicContact CG1-CB 3.57Å; V77-A130 HydrophobicContact CG2-CB 3.77Å
78G96.1Very high95.7Very high25 Ų2542.2 Ų42.226%0.25823%0.227SC..Hα-helixtrans-57.5-50.2175.900000112.1R74 F75 H80 S81R74-G78 WeakPolarHBondContact O-CA 3.3Å; R74-G78 PolarHBondContact O-N 2.97Å; F75-G78 PolarHBondContact O-N 3.11Å; G78-H80 VanDerWaalsContact C-N 3.34Å; G78-H80 PolarHBondContact O-N 3.1Å; G78-S81 PolarHBondContact O-N 3.21Å; G78-S81 PolarHBondContact O-OG 3Å
79L95.5Very high95.8Very high89 Ų8942.5 Ų42.547%0.46622%0.219SC..Hα-helixtrans-64.9-35.6176.4-75.6-178000113.3L26 F75 S81 P83L26-L79 HydrophobicContact CD2-CB 3.62Å; L26-L79 HydrophobicContact CD2-CD1 4.01Å; F75-L79 HydrophobicContact CD1-CD1 4.03Å; F75-L79 HydrophobicContact CE1-CD1 3.39Å; F75-L79 HydrophobicContact CE1-CG 4.39Å; F75-L79 HydrophobicContact CE2-CD1 3.94Å; F75-L79 HydrophobicContact CE2-CG 4.32Å; F75-L79 HydrophobicContact CZ-CD1 3.34Å; F75-L79 HydrophobicContact CZ-CG 4.2Å; F75-L79 PolarHBondContact O-N 3.23Å; L79-S81 VanDerWaalsContact C-N 3.35Å; L79-P83 WeakPolarHBondContact O-CD 3.42Å
80H94Very high95.7Very high21 Ų2143.9 Ų43.910%0.09723%0.226CC..Hα-helixtrans-70.2-29177.6172.5-110.8000113.3G23 S27 T76 V77 G78 A82 P83 R84G23-H80 PolarHBondContact O-CD2 3.02Å; S27-H80 WeakPolarHBondContact OG-CB 3.38Å; S27-H80 VanDerWaalsContact OG-CG 3.3Å; T76-H80 VanDerWaalsContact O-CB 3.22Å; T76-H80 WeakPolarHBondContact O-CB 3.22Å; T76-H80 PolarHBondContact O-N 2.65Å; V77-H80 PolarHBondContact O-N 2.84Å; G78-H80 VanDerWaalsContact C-N 3.34Å; G78-H80 PolarHBondContact O-N 3.1Å; H80-A82 PolarHBondContact O-N 3.1Å; H80-P83 VanDerWaalsContact O-CD 3.3Å; H80-P83 WeakPolarHBondContact O-CD 3.39Å; H80-R84 VanDerWaalsContact CE1-CD 3.48Å; H80-R84 WeakPolarHBondContact CE1-CD 3.41Å; H80-R84 WeakPolarHBondContact CE1-CG 3.36Å; H80-R84 WeakPolarHBondContact NE2-CD 3.42Å; H80-R84 VanDerWaalsContact NE2-CG 3.27Å; H80-R84 WeakPolarHBondContact NE2-CG 3.28Å; H80-R84 WeakPolarHBondContact O-CG 3.46Å; H80-R84 PolarHBondContact O-N 2.85Å
81S94.7Very high95.6Very high28 Ų2843.8 Ų43.820%0.19623%0.225CC..Hα-helixtrans-60.4-44.7-174.171.20000113.6V77 G78 L79 R84 L85V77-S81 PolarHBondContact O-N 3.48Å; G78-S81 PolarHBondContact O-N 3.21Å; G78-S81 PolarHBondContact O-OG 3Å; L79-S81 VanDerWaalsContact C-N 3.35Å; S81-R84 WeakPolarHBondContact O-CB 3.28Å; S81-R84 PolarHBondContact O-N 3.02Å; S81-L85 WeakPolarHBondContact O-CG 3.14Å; S81-L85 PolarHBondContact O-N 3.28Å
82A93Very high95.6Very high62 Ų6238.4 Ų38.451%0.51221%0.205SC..Hα-helixtrans-64.9-47.7-178.700000112.9H80 R84 L85 L86H80-A82 PolarHBondContact O-N 3.1Å; A82-R84 VanDerWaalsContact C-N 3.28Å; A82-R84 PolarHBondContact O-N 2.95Å; A82-L85 PolarHBondContact O-N 3.29Å; A82-L86 PolarHBondContact O-N 3.37Å
83P92.9Very high95.4Very high27 Ų2743.4 Ų43.418%0.17522%0.22CC..Hα-helixtrans-51.6-41.8168.4-30.835.5000114.8F19 L79 H80 L86 L87F19-P83 HydrophobicContact CD1-CB 4.41Å; F19-P83 HydrophobicContact CE1-CB 3.5Å; F19-P83 VanDerWaalsContact CE1-CB 3.5Å; F19-P83 HydrophobicContact CE1-CG 4.25Å; F19-P83 HydrophobicContact CE2-CB 4.18Å; F19-P83 HydrophobicContact CE2-CG 4.04Å; F19-P83 VanDerWaalsContact CZ-CA 3.46Å; F19-P83 HydrophobicContact CZ-CB 3.37Å; F19-P83 HydrophobicContact CZ-CG 3.61Å; L79-P83 WeakPolarHBondContact O-CD 3.42Å; H80-P83 VanDerWaalsContact O-CD 3.3Å; H80-P83 WeakPolarHBondContact O-CD 3.39Å; P83-L86 PolarHBondContact O-N 3.36Å; P83-L87 WeakPolarHBondContact O-CB 3.43Å; P83-L87 PolarHBondContact O-N 3.06Å
84R95.4Very high95.2Very high10 Ų1045 Ų454%0.03823%0.227CC..Hα-helixtrans-67.8-41.8178.9-71.7-74.3-64.7120.618.7112.5H80 S81 A82 L87 A88 N119 D122 V123 H230H80-R84 VanDerWaalsContact CE1-CD 3.48Å; H80-R84 WeakPolarHBondContact CE1-CD 3.41Å; H80-R84 WeakPolarHBondContact CE1-CG 3.36Å; H80-R84 WeakPolarHBondContact NE2-CD 3.42Å; H80-R84 VanDerWaalsContact NE2-CG 3.27Å; H80-R84 WeakPolarHBondContact NE2-CG 3.28Å; H80-R84 WeakPolarHBondContact O-CG 3.46Å; H80-R84 PolarHBondContact O-N 2.85Å; S81-R84 WeakPolarHBondContact O-CB 3.28Å; S81-R84 PolarHBondContact O-N 3.02Å; A82-R84 VanDerWaalsContact C-N 3.28Å; A82-R84 PolarHBondContact O-N 2.95Å; R84-L87 WeakPolarHBondContact O-CB 3.49Å; R84-L87 PolarHBondContact O-N 3.39Å; R84-A88 PolarHBondContact O-N 2.8Å; R84-N119 PolarHBondContact NH2-OD1 3.46Å; R84-D122 IonicContact NH2-OD2 3.56Å; R84-D122 PolarHBondContact NH2-OD2 2.86Å; R84-V123 HydrophobicContact CB-CG1 4.19Å; R84-V123 HydrophobicContact CB-CG2 3.66Å; R84-H230 VanDerWaalsContact CZ-ND1 3.29Å; R84-H230 PolarHBondContact NH1-CE1 3.35Å; R84-H230 VanDerWaalsContact NH1-CE1 3.3Å; R84-H230 PolarHBondContact NH1-ND1 3.13Å; R84-H230 PolarHBondContact NH2-CE1 2.87Å; R84-H230 PolarHBondContact NH2-ND1 3.48Å; R84-H230 PolarHBondContact NH2-NE2 3.3Å; R84-H230 VanDerWaalsContact NH2-NE2 3.13Å
85L95.7Very high95Very high66 Ų6642.9 Ų42.935%0.34622%0.219SC..Hα-helixtrans-61.7-45.9174.1-69.2174.3000111S81 A82 L87 A88 F89 L120 V123S81-L85 WeakPolarHBondContact O-CG 3.14Å; S81-L85 PolarHBondContact O-N 3.28Å; A82-L85 PolarHBondContact O-N 3.29Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.06Å; L85-A88 WeakPolarHBondContact O-CB 3.46Å; L85-A88 PolarHBondContact O-N 3.21Å; L85-A88 VanDerWaalsContact O-N 3.13Å; L85-F89 WeakPolarHBondContact O-CD2 3.31Å; L85-F89 PolarHBondContact O-N 3.48Å; L85-L120 HydrophobicContact CD2-CD2 3.7Å; L85-V123 HydrophobicContact CD2-CB 4.26Å; L85-V123 HydrophobicContact CD2-CG1 3.94Å; L85-V123 HydrophobicContact CG-CG1 4.05Å
86L93.7Very high94.7Very high65 Ų6539.4 Ų39.434%0.3421%0.205SC..Hα-helixtrans-57.2-45.2174.6176.860.6000111.5F19 A82 P83 A88 F89 I90 L242F19-L86 HydrophobicContact CE1-CD2 3.91Å; F19-L86 HydrophobicContact CZ-CD2 3.95Å; A82-L86 PolarHBondContact O-N 3.37Å; P83-L86 PolarHBondContact O-N 3.36Å; L86-A88 VanDerWaalsContact C-N 3.29Å; L86-A88 PolarHBondContact O-N 3.44Å; L86-F89 PolarHBondContact O-N 2.92Å; L86-F89 VanDerWaalsContact O-N 3.15Å; L86-I90 HydrophobicContact CD1-CD1 4.05Å; L86-I90 HydrophobicContact CD1-CG1 4.3Å; L86-I90 HydrophobicContact CD2-CD1 4.47Å; L86-I90 HydrophobicContact CG-CD1 3.85Å; L86-I90 HydrophobicContact CG-CG1 4.49Å; L86-I90 WeakPolarHBondContact O-CG1 3.22Å; L86-I90 PolarHBondContact O-N 3.28Å; L86-L242 HydrophobicContact CD2-CD1 4.16Å; L86-L242 HydrophobicContact CD2-CD2 4.1Å
87L94.3Very high94.3Very high7 Ų742.8 Ų42.84%0.03723%0.229CC..Hα-helixtrans-60.3-37.9177.1179.861000112.1F16 P83 R84 L85 F89 I90 Y91 A233 F237F16-L87 HydrophobicContact CE1-CD1 3.66Å; F16-L87 HydrophobicContact CZ-CD1 3.56Å; P83-L87 WeakPolarHBondContact O-CB 3.43Å; P83-L87 PolarHBondContact O-N 3.06Å; R84-L87 WeakPolarHBondContact O-CB 3.49Å; R84-L87 PolarHBondContact O-N 3.39Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.06Å; L87-F89 PolarHBondContact O-N 2.93Å; L87-I90 PolarHBondContact O-N 3.5Å; L87-Y91 HydrophobicContact CD1-CD2 3.69Å; L87-Y91 HydrophobicContact CD1-CE2 3.6Å; L87-Y91 HydrophobicContact CD2-CE2 4.27Å; L87-Y91 HydrophobicContact CG-CD2 3.84Å; L87-Y91 HydrophobicContact CG-CE2 3.88Å; L87-Y91 WeakPolarHBondContact O-CD2 3.36Å; L87-Y91 PolarHBondContact O-N 3.34Å; L87-A233 HydrophobicContact CD1-CB 3.77Å; L87-A233 HydrophobicContact CD2-CB 3.88Å; L87-A233 HydrophobicContact CG-CB 4.45Å; L87-F237 HydrophobicContact CD1-CD2 4.2Å; L87-F237 HydrophobicContact CD1-CE2 3.92Å
88A96.7Very high93.8Very high2 Ų245.3 Ų45.32%0.01724%0.239CC..Hα-helixtrans-60.7-43.5174.200000112R84 L85 L86 L92 F116 N119 L120R84-A88 PolarHBondContact O-N 2.8Å; L85-A88 WeakPolarHBondContact O-CB 3.46Å; L85-A88 PolarHBondContact O-N 3.21Å; L85-A88 VanDerWaalsContact O-N 3.13Å; L86-A88 VanDerWaalsContact C-N 3.29Å; L86-A88 PolarHBondContact O-N 3.44Å; A88-L92 WeakPolarHBondContact O-CB 3.16Å; A88-L92 PolarHBondContact O-N 2.82Å; A88-F116 HydrophobicContact CB-CD2 4.25Å; A88-F116 HydrophobicContact CB-CE2 4.23Å; A88-N119 HydrophobicContact CB-CB 4.11Å; A88-L120 HydrophobicContact CB-CD2 4.34Å
89F96Very high92.9Very high98 Ų9846.6 Ų46.643%0.4324%0.238SC..Hα-helixtrans-66.3-39175.3-73.6-75.1000112.8L85 L86 L87 L92 R93 F116L85-F89 WeakPolarHBondContact O-CD2 3.31Å; L85-F89 PolarHBondContact O-N 3.48Å; L86-F89 PolarHBondContact O-N 2.92Å; L86-F89 VanDerWaalsContact O-N 3.15Å; L87-F89 PolarHBondContact O-N 2.93Å; F89-L92 PolarHBondContact O-N 3.42Å; F89-R93 WeakPolarHBondContact O-CG 3.45Å; F89-R93 PolarHBondContact O-N 3.45Å; F89-F116 AromaticContact CD1-CE2 3.8Å; F89-F116 HydrophobicContact CD1-CE2 3.8Å; F89-F116 AromaticContact CD1-CZ 3.92Å; F89-F116 HydrophobicContact CD1-CZ 3.92Å; F89-F116 AromaticContact CE1-CE2 3.87Å; F89-F116 HydrophobicContact CE1-CE2 3.87Å; F89-F116 AromaticContact CE1-CZ 3.53Å; F89-F116 HydrophobicContact CE1-CZ 3.53Å; F89-F116 HydrophobicContact CG-CE2 4.18Å; F89-F116 HydrophobicContact CZ-CE2 4.3Å; F89-F116 AromaticContact CZ-CZ 3.93Å; F89-F116 HydrophobicContact CZ-CZ 3.93Å
90I94.5Very high91.8Very high35 Ų3551.3 Ų51.318%0.17926%0.255CS..Hα-helixtrans-64.6-46.6177.7-70170.4000110.5F16 L86 L87 L92 R93 Y94 F237 L242F16-I90 HydrophobicContact CD2-CD1 4.1Å; F16-I90 HydrophobicContact CE2-CD1 3.19Å; F16-I90 HydrophobicContact CZ-CD1 3.59Å; F16-I90 HydrophobicContact CZ-CG2 4.49Å; L86-I90 HydrophobicContact CD1-CD1 4.05Å; L86-I90 HydrophobicContact CD1-CG1 4.3Å; L86-I90 HydrophobicContact CD2-CD1 4.47Å; L86-I90 HydrophobicContact CG-CD1 3.85Å; L86-I90 HydrophobicContact CG-CG1 4.49Å; L86-I90 WeakPolarHBondContact O-CG1 3.22Å; L86-I90 PolarHBondContact O-N 3.28Å; L87-I90 PolarHBondContact O-N 3.5Å; I90-L92 VanDerWaalsContact C-N 3.35Å; I90-L92 PolarHBondContact O-N 3.45Å; I90-R93 PolarHBondContact O-N 3Å; I90-Y94 VanDerWaalsContact O-CB 3.31Å; I90-Y94 WeakPolarHBondContact O-CB 3.34Å; I90-Y94 PolarHBondContact O-N 3.32Å; I90-F237 HydrophobicContact CG2-CD1 4.25Å; I90-F237 HydrophobicContact CG2-CD2 4.44Å; I90-F237 HydrophobicContact CG2-CE1 3.87Å; I90-F237 HydrophobicContact CG2-CE2 4.06Å; I90-F237 HydrophobicContact CG2-CZ 3.76Å; I90-L242 HydrophobicContact CD1-CD2 4.45Å
91Y95.4Very high91Very high5 Ų555 Ų552%0.0227%0.273CS..Hα-helixtrans-59.9-43.1174.1-91.3-65.5000112.3L87 R93 Y94 H95 A233 D236 F237L87-Y91 HydrophobicContact CD1-CD2 3.69Å; L87-Y91 HydrophobicContact CD1-CE2 3.6Å; L87-Y91 HydrophobicContact CD2-CE2 4.27Å; L87-Y91 HydrophobicContact CG-CD2 3.84Å; L87-Y91 HydrophobicContact CG-CE2 3.88Å; L87-Y91 WeakPolarHBondContact O-CD2 3.36Å; L87-Y91 PolarHBondContact O-N 3.34Å; Y91-R93 VanDerWaalsContact C-N 3.32Å; Y91-R93 PolarHBondContact O-N 3.02Å; Y91-Y94 HydrophobicContact CD1-CD1 4.35Å; Y91-Y94 PolarHBondContact O-N 3.45Å; Y91-H95 AromaticContact CD1-CE1 3.88Å; Y91-H95 AromaticContact CD1-NE2 3.75Å; Y91-H95 WeakPolarHBondContact O-CB 3.35Å; Y91-H95 PolarHBondContact O-N 2.87Å; Y91-H95 PolarHBondContact O-ND1 3.24Å; Y91-A233 HydrophobicContact CE2-CB 3.83Å; Y91-A233 VanDerWaalsContact OH-CA 3.3Å; Y91-A233 WeakPolarHBondContact OH-CA 3.49Å; Y91-A233 WeakPolarHBondContact OH-CB 3.23Å; Y91-D236 PolarHBondContact OH-OD2 3.01Å; Y91-F237 AromaticContact CD1-CE2 3.86Å; Y91-F237 HydrophobicContact CD1-CE2 3.86Å; Y91-F237 AromaticContact CD1-CZ 3.61Å; Y91-F237 HydrophobicContact CD1-CZ 3.61Å; Y91-F237 AromaticContact CD2-CE2 3.97Å; Y91-F237 HydrophobicContact CD2-CE2 3.97Å; Y91-F237 HydrophobicContact CD2-CZ 4.38Å; Y91-F237 AromaticContact CE1-CE2 3.6Å; Y91-F237 HydrophobicContact CE1-CE2 3.6Å; Y91-F237 AromaticContact CE1-CZ 3.68Å; Y91-F237 HydrophobicContact CE1-CZ 3.68Å; Y91-F237 AromaticContact CE2-CE2 3.75Å; Y91-F237 HydrophobicContact CE2-CE2 3.75Å; Y91-F237 HydrophobicContact CE2-CZ 4.46Å; Y91-F237 HydrophobicContact CG-CE2 4.05Å; Y91-F237 AromaticContact CG-CZ 3.99Å; Y91-F237 HydrophobicContact CG-CZ 3.99Å; Y91-F237 AromaticContact CZ-CE2 3.55Å
92L95.8Very high90.1Very high19 Ų1955.6 Ų55.610%0.09927%0.272CS..Hα-helixtrans-56.1-47.4175.417363000111.3A88 F89 I90 M96 T112 F116A88-L92 WeakPolarHBondContact O-CB 3.16Å; A88-L92 PolarHBondContact O-N 2.82Å; F89-L92 PolarHBondContact O-N 3.42Å; I90-L92 VanDerWaalsContact C-N 3.35Å; I90-L92 PolarHBondContact O-N 3.45Å; L92-M96 HydrophobicContact CD1-CE 3.87Å; L92-M96 HydrophobicContact CD1-CG 3.98Å; L92-M96 HydrophobicContact CG-CG 4.5Å; L92-M96 VanDerWaalsContact O-CB 3.24Å; L92-M96 WeakPolarHBondContact O-CB 3.48Å; L92-M96 WeakPolarHBondContact O-CG 3.4Å; L92-M96 PolarHBondContact O-N 2.97Å; L92-T112 HydrophobicContact CD1-CG2 3.88Å; L92-F116 HydrophobicContact CB-CB 4.35Å; L92-F116 HydrophobicContact CB-CD2 3.82Å; L92-F116 HydrophobicContact CB-CE2 4.46Å; L92-F116 HydrophobicContact CB-CG 4.23Å; L92-F116 HydrophobicContact CD1-CB 4.13Å; L92-F116 HydrophobicContact CD1-CG 4.38Å; L92-F116 HydrophobicContact CD2-CD1 4.12Å; L92-F116 HydrophobicContact CD2-CD2 3.87Å; L92-F116 HydrophobicContact CD2-CE1 4.26Å; L92-F116 HydrophobicContact CD2-CE2 4.03Å; L92-F116 HydrophobicContact CD2-CG 3.91Å; L92-F116 HydrophobicContact CD2-CZ 4.22Å; L92-F116 HydrophobicContact CG-CD2 4.35Å; L92-F116 HydrophobicContact CG-CG 4.39Å
93R93.6Very high88.7Confident164 Ų16456.7 Ų56.762%0.61927%0.273SS*.Hα-helixtrans-67-40.5178.8-66.9-65.4-177.1-97.60.3111.9F89 I90 Y91 M96 S97F89-R93 WeakPolarHBondContact O-CG 3.45Å; F89-R93 PolarHBondContact O-N 3.45Å; I90-R93 PolarHBondContact O-N 3Å; Y91-R93 VanDerWaalsContact C-N 3.32Å; Y91-R93 PolarHBondContact O-N 3.02Å; R93-M96 PolarHBondContact O-N 3.11Å; R93-S97 PolarHBondContact O-N 3.36Å
94Y92.7Very high87.3Confident44 Ų4464.8 Ų64.817%0.17331%0.308CS..Hα-helixtrans-60.2-52.8175.8173.7-106.2000111.4I90 Y91 M96 S97 Y98 F237I90-Y94 VanDerWaalsContact O-CB 3.31Å; I90-Y94 WeakPolarHBondContact O-CB 3.34Å; I90-Y94 PolarHBondContact O-N 3.32Å; Y91-Y94 HydrophobicContact CD1-CD1 4.35Å; Y91-Y94 PolarHBondContact O-N 3.45Å; Y94-M96 VanDerWaalsContact C-N 3.34Å; Y94-M96 PolarHBondContact O-N 3.43Å; Y94-S97 WeakPolarHBondContact O-CB 3.5Å; Y94-S97 PolarHBondContact O-N 3.35Å; Y94-S97 VanDerWaalsContact O-N 3.12Å; Y94-S97 PolarHBondContact O-OG 2.97Å; Y94-Y98 HydrophobicContact CD2-CE2 4.22Å; Y94-Y98 HydrophobicContact CE1-CE2 4.15Å; Y94-Y98 AromaticContact CE2-CE2 3.66Å; Y94-Y98 HydrophobicContact CE2-CE2 3.66Å; Y94-Y98 AromaticContact CZ-CE2 3.62Å; Y94-Y98 WeakPolarHBondContact O-CD2 3.12Å; Y94-Y98 PolarHBondContact OH-OH 2.77Å; Y94-F237 HydrophobicContact CD1-CE1 4.23Å; Y94-F237 HydrophobicContact CD1-CZ 4.26Å; Y94-F237 AromaticContact CD2-CE1 3.86Å; Y94-F237 HydrophobicContact CD2-CE1 3.86Å; Y94-F237 AromaticContact CG-CE1 3.68Å; Y94-F237 HydrophobicContact CG-CE1 3.68Å; Y94-F237 HydrophobicContact CG-CZ 4.07Å
95H93.7Very high86.7Confident3 Ų366.3 Ų66.31%0.01432%0.32CS..Hα-helixtrans-62.1-40.4176.8-61.6154.2000111.9Y91 S97 Y98 Y108 T112 V162 H163Y91-H95 AromaticContact CD1-CE1 3.88Å; Y91-H95 AromaticContact CD1-NE2 3.75Å; Y91-H95 WeakPolarHBondContact O-CB 3.35Å; Y91-H95 PolarHBondContact O-N 2.87Å; Y91-H95 PolarHBondContact O-ND1 3.24Å; H95-S97 VanDerWaalsContact C-N 3.27Å; H95-S97 PolarHBondContact O-N 3.14Å; H95-Y98 PolarHBondContact O-N 3.43Å; H95-Y108 PolarHBondContact O-OH 3.49Å; H95-T112 HydrophobicContact CB-CG2 3.49Å; H95-T112 VanDerWaalsContact CB-CG2 3.49Å; H95-V162 HydrophobicContact CB-CG1 4.29Å; H95-H163 AromaticContact NE2-CD2 3.52Å; H95-H163 AromaticContact NE2-NE2 3.29Å; H95-H163 PolarHBondContact NE2-NE2 2.88Å
96M90.6Very high86.3Confident54 Ų5469.2 Ų69.227%0.26634%0.335SS..Hα-helixtrans-67.1-23.6176-72.4-70.3-176.400113.3L92 R93 Y94 Y98 H99 T112 V113L92-M96 HydrophobicContact CD1-CE 3.87Å; L92-M96 HydrophobicContact CD1-CG 3.98Å; L92-M96 HydrophobicContact CG-CG 4.5Å; L92-M96 VanDerWaalsContact O-CB 3.24Å; L92-M96 WeakPolarHBondContact O-CB 3.48Å; L92-M96 WeakPolarHBondContact O-CG 3.4Å; L92-M96 PolarHBondContact O-N 2.97Å; R93-M96 PolarHBondContact O-N 3.11Å; Y94-M96 VanDerWaalsContact C-N 3.34Å; Y94-M96 PolarHBondContact O-N 3.43Å; M96-Y98 PolarHBondContact O-N 2.89Å; M96-H99 WeakPolarHBondContact O-CB 3.47Å; M96-H99 PolarHBondContact O-N 3.08Å; M96-T112 HydrophobicContact CE-CG2 3.84Å; M96-T112 HydrophobicContact CG-CG2 4.05Å; M96-T112 HydrophobicContact SD-CG2 4.19Å; M96-V113 HydrophobicContact CE-CG2 3.95Å
97S88.8Confident86.2Confident75 Ų7571.6 Ų71.652%0.52435%0.347SS..Hα-helixtrans-62.5-31.9175.977.90000112.3R93 Y94 H95 H99R93-S97 PolarHBondContact O-N 3.36Å; Y94-S97 WeakPolarHBondContact O-CB 3.5Å; Y94-S97 PolarHBondContact O-N 3.35Å; Y94-S97 VanDerWaalsContact O-N 3.12Å; Y94-S97 PolarHBondContact O-OG 2.97Å; H95-S97 VanDerWaalsContact C-N 3.27Å; H95-S97 PolarHBondContact O-N 3.14Å; S97-H99 VanDerWaalsContact C-N 3.27Å; S97-H99 PolarHBondContact O-N 2.86Å
98Y86.3Confident86.1Confident52 Ų5271.3 Ų71.320%0.20435%0.346CS..G310 helixtrans-80.1-5.1173.9-64.7-85.5000113.3Y94 H95 M96 K100 M101 F102 I166 S170Y94-Y98 HydrophobicContact CD2-CE2 4.22Å; Y94-Y98 HydrophobicContact CE1-CE2 4.15Å; Y94-Y98 AromaticContact CE2-CE2 3.66Å; Y94-Y98 HydrophobicContact CE2-CE2 3.66Å; Y94-Y98 AromaticContact CZ-CE2 3.62Å; Y94-Y98 WeakPolarHBondContact O-CD2 3.12Å; Y94-Y98 PolarHBondContact OH-OH 2.77Å; H95-Y98 PolarHBondContact O-N 3.43Å; M96-Y98 PolarHBondContact O-N 2.89Å; Y98-K100 PolarHBondContact O-N 2.99Å; Y98-M101 HydrophobicContact CD1-CE 3.67Å; Y98-M101 HydrophobicContact CE1-CE 4.44Å; Y98-M101 WeakPolarHBondContact O-CB 3.19Å; Y98-M101 PolarHBondContact O-N 3.38Å; Y98-F102 WeakPolarHBondContact O-CD2 3.28Å; Y98-F102 PolarHBondContact O-N 3.12Å; Y98-I166 HydrophobicContact CD1-CG2 4.23Å; Y98-I166 HydrophobicContact CD2-CD1 3.95Å; Y98-I166 HydrophobicContact CD2-CG1 4.29Å; Y98-I166 HydrophobicContact CD2-CG2 4.36Å; Y98-I166 HydrophobicContact CE1-CG2 3.94Å; Y98-I166 HydrophobicContact CE2-CD1 4.35Å; Y98-I166 HydrophobicContact CE2-CG2 4.12Å; Y98-I166 HydrophobicContact CG-CD1 4.41Å; Y98-I166 HydrophobicContact CG-CG1 4.27Å; Y98-I166 HydrophobicContact CG-CG2 4.41Å; Y98-S170 WeakPolarHBondContact CE1-OG 3.41Å
99H76.7Confident85.9Confident52 Ų5276.2 Ų76.224%0.24137%0.367CS..G310 helixtrans-57.8-34.7178.9-175.5-81.3000112.1M96 S97 M101 F102 T103M96-H99 WeakPolarHBondContact O-CB 3.47Å; M96-H99 PolarHBondContact O-N 3.08Å; S97-H99 VanDerWaalsContact C-N 3.27Å; S97-H99 PolarHBondContact O-N 2.86Å; H99-M101 PolarHBondContact O-N 2.83Å; H99-F102 CarbonylContact O-C 3.27Å; H99-F102 VanDerWaalsContact O-C 3.27Å; H99-F102 PolarHBondContact O-N 2.77Å; H99-F102 VanDerWaalsContact O-N 3.13Å; H99-T103 WeakPolarHBondContact O-CA 3.47Å; H99-T103 PolarHBondContact O-N 2.96Å; H99-T103 PolarHBondContact O-OG1 3.34Å
100K74.3Confident85.8Confident189 Ų18977.3 Ų77.382%0.82238%0.375SS*.G310 helixtrans-60.4-32176.5-74.2-173.2179.1-179.70112.9Y98 T103Y98-K100 PolarHBondContact O-N 2.99Å; K100-T103 VanDerWaalsContact C-OG1 3.27Å; K100-T103 WeakPolarHBondContact CA-OG1 3.3Å; K100-T103 PolarHBondContact O-OG1 3.46Å
101M76.8Confident85.8Confident99 Ų9977.6 Ų77.649%0.48838%0.377SS..THydrogen-bonded Turntrans-78.3-31.3177.7-168.4163.563.700111.9Y98 H99 T169Y98-M101 HydrophobicContact CD1-CE 3.67Å; Y98-M101 HydrophobicContact CE1-CE 4.44Å; Y98-M101 WeakPolarHBondContact O-CB 3.19Å; Y98-M101 PolarHBondContact O-N 3.38Å; H99-M101 PolarHBondContact O-N 2.83Å; M101-T169 HydrophobicContact CE-CG2 3.65Å; M101-T169 WeakPolarHBondContact CE-OG1 3.44Å; M101-T169 HydrophobicContact SD-CG2 3.96Å
102F74.8Confident85.8Confident39 Ų3977.4 Ų77.417%0.17138%0.376CS..SBendtrans-111.326.6-178.2-57.7-67.9000113.1Y98 H99 Q104 S105 Y108 I165 T169Y98-F102 WeakPolarHBondContact O-CD2 3.28Å; Y98-F102 PolarHBondContact O-N 3.12Å; H99-F102 CarbonylContact O-C 3.27Å; H99-F102 VanDerWaalsContact O-C 3.27Å; H99-F102 PolarHBondContact O-N 2.77Å; H99-F102 VanDerWaalsContact O-N 3.13Å; F102-Q104 PolarHBondContact O-N 3.24Å; F102-S105 PolarHBondContact O-N 2.64Å; F102-Y108 HydrophobicContact CB-CD1 4.08Å; F102-Y108 HydrophobicContact CB-CG 4.05Å; F102-Y108 HydrophobicContact CD2-CD1 4.46Å; F102-Y108 HydrophobicContact CD2-CD2 4.19Å; F102-Y108 HydrophobicContact CD2-CE1 4.32Å; F102-Y108 HydrophobicContact CD2-CE2 4.03Å; F102-Y108 HydrophobicContact CD2-CG 4.4Å; F102-Y108 HydrophobicContact CE2-CE2 4.38Å; F102-Y108 HydrophobicContact CG-CD2 4.47Å; F102-Y108 HydrophobicContact CG-CG 4.42Å; F102-I165 HydrophobicContact CD1-CG2 4.14Å; F102-I165 HydrophobicContact CD2-CG2 4.4Å; F102-I165 HydrophobicContact CE1-CG2 3.71Å; F102-I165 HydrophobicContact CE2-CG2 4Å; F102-I165 HydrophobicContact CG-CG2 4.46Å; F102-I165 HydrophobicContact CZ-CG2 3.63Å; F102-I165 WeakPolarHBondContact CZ-O 3.48Å; F102-T169 HydrophobicContact CE1-CG2 4.24Å; F102-T169 HydrophobicContact CZ-CG2 3.8Å
103T63.4Low85.8Confident85 Ų8579.5 Ų79.552%0.52139%0.389SS..THydrogen-bonded Turntrans-58.7-22.3-165.9-58.30000113.5H99 K100H99-T103 WeakPolarHBondContact O-CA 3.47Å; H99-T103 PolarHBondContact O-N 2.96Å; H99-T103 PolarHBondContact O-OG1 3.34Å; K100-T103 VanDerWaalsContact C-OG1 3.27Å; K100-T103 WeakPolarHBondContact CA-OG1 3.3Å; K100-T103 PolarHBondContact O-OG1 3.46Å
104Q65.1Low86Confident198 Ų19873.1 Ų73.193%0.92537%0.372SS*.THydrogen-bonded Turntrans-87.8-6.8177.8-65.8-173.2-26.800114.5F102 L106F102-Q104 PolarHBondContact O-N 3.24Å; Q104-L106 PolarHBondContact O-N 3.43Å
105S82.1Confident86.3Confident42 Ų4271.1 Ų71.129%0.29436%0.364SS..  trans-95.894.1-178.9-175.30000111.4F102 I107 Y108 K109F102-S105 PolarHBondContact O-N 2.64Å; S105-I107 PolarHBondContact O-N 3.12Å; S105-Y108 WeakPolarHBondContact O-CB 3.25Å; S105-Y108 PolarHBondContact O-N 3.46Å; S105-Y108 VanDerWaalsContact O-N 3.08Å; S105-Y108 PolarHBondContact OG-N 2.86Å; S105-Y108 VanDerWaalsContact OG-N 3.14Å; S105-K109 PolarHBondContact O-N 2.81Å
106L88.1Confident86.5Confident126 Ų12672.7 Ų72.766%0.6637%0.371SS*.Hα-helixtrans-51.7-37.2168.2177.261.3000111.2Q104 Y108 K109 M110Q104-L106 PolarHBondContact O-N 3.43Å; L106-Y108 PolarHBondContact O-N 2.89Å; L106-K109 PolarHBondContact O-N 3.46Å; L106-M110 HydrophobicContact CD1-CG 4.41Å; L106-M110 HydrophobicContact CG-CG 4.48Å; L106-M110 HydrophobicContact CG-SD 4.22Å; L106-M110 WeakPolarHBondContact O-CG 3.41Å; L106-M110 PolarHBondContact O-N 3.5Å
107I90.3Very high86.9Confident116 Ų11672.9 Ų72.960%0.59538%0.377SS*.Hα-helixtrans-59.6-46.6177.9-60.4172.3000110.8S105 K109 M110 L111S105-I107 PolarHBondContact O-N 3.12Å; I107-K109 VanDerWaalsContact C-N 3.33Å; I107-K109 PolarHBondContact O-N 3.02Å; I107-M110 PolarHBondContact O-N 2.95Å; I107-L111 HydrophobicContact CG2-CD1 3.98Å; I107-L111 HydrophobicContact CG2-CG 4.34Å; I107-L111 WeakPolarHBondContact O-CG 3.34Å; I107-L111 PolarHBondContact O-N 3.25Å
108Y92.4Very high87.3Confident0 Ų072.4 Ų72.40%037%0.366CS..Hα-helixtrans-60.4-43.7178.9-179.9-97.4000112.1H95 F102 S105 L106 L111 T112 V162 I165 I166H95-Y108 PolarHBondContact O-OH 3.49Å; F102-Y108 HydrophobicContact CB-CD1 4.08Å; F102-Y108 HydrophobicContact CB-CG 4.05Å; F102-Y108 HydrophobicContact CD2-CD1 4.46Å; F102-Y108 HydrophobicContact CD2-CD2 4.19Å; F102-Y108 HydrophobicContact CD2-CE1 4.32Å; F102-Y108 HydrophobicContact CD2-CE2 4.03Å; F102-Y108 HydrophobicContact CD2-CG 4.4Å; F102-Y108 HydrophobicContact CE2-CE2 4.38Å; F102-Y108 HydrophobicContact CG-CD2 4.47Å; F102-Y108 HydrophobicContact CG-CG 4.42Å; S105-Y108 WeakPolarHBondContact O-CB 3.25Å; S105-Y108 PolarHBondContact O-N 3.46Å; S105-Y108 VanDerWaalsContact O-N 3.08Å; S105-Y108 PolarHBondContact OG-N 2.86Å; S105-Y108 VanDerWaalsContact OG-N 3.14Å; L106-Y108 PolarHBondContact O-N 2.89Å; Y108-L111 PolarHBondContact O-N 3.3Å; Y108-T112 WeakPolarHBondContact O-CB 3.47Å; Y108-T112 PolarHBondContact O-N 3.24Å; Y108-T112 PolarHBondContact O-OG1 2.89Å; Y108-V162 HydrophobicContact CE2-CG1 4.03Å; Y108-I165 HydrophobicContact CD2-CB 4.41Å; Y108-I165 HydrophobicContact CD2-CD1 4.23Å; Y108-I165 HydrophobicContact CD2-CG2 3.91Å; Y108-I165 HydrophobicContact CE2-CG2 4.25Å; Y108-I166 HydrophobicContact CE2-CG1 4.22Å
109K91.8Very high87.9Confident106 Ų10670 Ų7046%0.46136%0.356SS..Hα-helixtrans-62-45.2176.6-175.6179.6177-177.10111.2S105 L106 I107 T112 V113S105-K109 PolarHBondContact O-N 2.81Å; L106-K109 PolarHBondContact O-N 3.46Å; I107-K109 VanDerWaalsContact C-N 3.33Å; I107-K109 PolarHBondContact O-N 3.02Å; K109-T112 PolarHBondContact O-N 2.97Å; K109-V113 WeakPolarHBondContact O-CG2 3.4Å; K109-V113 PolarHBondContact O-N 2.66Å
110M94Very high88.9Confident121 Ų12170.3 Ų70.360%0.59636%0.36SS*.Hα-helixtrans-61.2-45.4176.7-72.9-17869.100111.9L106 I107 T112 V113 A114L106-M110 HydrophobicContact CD1-CG 4.41Å; L106-M110 HydrophobicContact CG-CG 4.48Å; L106-M110 HydrophobicContact CG-SD 4.22Å; L106-M110 WeakPolarHBondContact O-CG 3.41Å; L106-M110 PolarHBondContact O-N 3.5Å; I107-M110 PolarHBondContact O-N 2.95Å; M110-T112 VanDerWaalsContact C-N 3.34Å; M110-T112 PolarHBondContact O-N 3.22Å; M110-V113 PolarHBondContact O-N 2.94Å; M110-A114 VanDerWaalsContact O-CB 3.24Å; M110-A114 WeakPolarHBondContact O-CB 3.5Å; M110-A114 PolarHBondContact O-N 3.32Å
111L95.4Very high90.1Very high41 Ų4165.8 Ų65.822%0.21534%0.344CS..Hα-helixtrans-61.8-42.1177.6-71.1171.6000111.8I107 Y108 A114 A115 V158 V162 I165I107-L111 HydrophobicContact CG2-CD1 3.98Å; I107-L111 HydrophobicContact CG2-CG 4.34Å; I107-L111 WeakPolarHBondContact O-CG 3.34Å; I107-L111 PolarHBondContact O-N 3.25Å; Y108-L111 PolarHBondContact O-N 3.3Å; L111-A114 PolarHBondContact O-N 2.99Å; L111-A115 WeakPolarHBondContact O-CB 3.38Å; L111-A115 PolarHBondContact O-N 3.47Å; L111-V158 HydrophobicContact CB-CG1 4.19Å; L111-V158 HydrophobicContact CD2-CG1 3.98Å; L111-V158 WeakPolarHBondContact O-CG1 3.36Å; L111-V162 HydrophobicContact CB-CG2 3.67Å; L111-I165 HydrophobicContact CD1-CD1 3.86Å
112T95.5Very high91.1Very high0 Ų061.2 Ų61.20%032%0.321CS..Hα-helixtrans-64.2-43.7178.8-61.70000111.7L92 H95 M96 Y108 K109 M110 F116L92-T112 HydrophobicContact CD1-CG2 3.88Å; H95-T112 HydrophobicContact CB-CG2 3.49Å; H95-T112 VanDerWaalsContact CB-CG2 3.49Å; M96-T112 HydrophobicContact CE-CG2 3.84Å; M96-T112 HydrophobicContact CG-CG2 4.05Å; M96-T112 HydrophobicContact SD-CG2 4.19Å; Y108-T112 WeakPolarHBondContact O-CB 3.47Å; Y108-T112 PolarHBondContact O-N 3.24Å; Y108-T112 PolarHBondContact O-OG1 2.89Å; K109-T112 PolarHBondContact O-N 2.97Å; M110-T112 VanDerWaalsContact C-N 3.34Å; M110-T112 PolarHBondContact O-N 3.22Å; T112-F116 PolarHBondContact O-N 3.31Å
113V96.3Very high92.2Very high63 Ų6359.7 Ų59.738%0.38232%0.315SS..Hα-helixtrans-67.2-41.6176.1174.80000110.9M96 K109 M110 A115 F116 C117M96-V113 HydrophobicContact CE-CG2 3.95Å; K109-V113 WeakPolarHBondContact O-CG2 3.4Å; K109-V113 PolarHBondContact O-N 2.66Å; M110-V113 PolarHBondContact O-N 2.94Å; V113-A115 PolarHBondContact O-N 2.95Å; V113-F116 WeakPolarHBondContact O-CB 3.2Å; V113-F116 PolarHBondContact O-N 3.42Å; V113-C117 PolarHBondContact O-N 2.86Å; V113-C117 PolarHBondContact O-SG 3.39Å; V113-C117 VanDerWaalsContact O-SG 3.36Å
114A97.7Very high93.8Very high31 Ų3157.8 Ų57.826%0.25631%0.312SS..Hα-helixtrans-61.3-44.317700000111.9M110 L111 F116 C117 F118 V158M110-A114 VanDerWaalsContact O-CB 3.24Å; M110-A114 WeakPolarHBondContact O-CB 3.5Å; M110-A114 PolarHBondContact O-N 3.32Å; L111-A114 PolarHBondContact O-N 2.99Å; A114-F116 VanDerWaalsContact C-N 3.3Å; A114-F116 PolarHBondContact O-N 3.48Å; A114-C117 PolarHBondContact O-N 3.5Å; A114-F118 HydrophobicContact CB-CD2 4.37Å; A114-F118 HydrophobicContact CB-CE2 4.18Å; A114-F118 WeakPolarHBondContact O-CD2 3.5Å; A114-F118 WeakPolarHBondContact O-CG 3.31Å; A114-F118 PolarHBondContact O-N 3.48Å; A114-V158 HydrophobicContact CB-CG1 4.21Å
115A97.8Very high95.4Very high2 Ų248.7 Ų48.72%0.01727%0.271CS..Hα-helixtrans-57.3-45.2174.900000111.2L111 V113 N119 Y155 V158L111-A115 WeakPolarHBondContact O-CB 3.38Å; L111-A115 PolarHBondContact O-N 3.47Å; V113-A115 PolarHBondContact O-N 2.95Å; A115-N119 WeakPolarHBondContact O-CB 3.48Å; A115-N119 PolarHBondContact O-N 2.91Å; A115-Y155 VanDerWaalsContact O-CD2 3.31Å; A115-Y155 WeakPolarHBondContact O-CD2 3.46Å; A115-V158 HydrophobicContact CB-CB 4.4Å; A115-V158 HydrophobicContact CB-CG1 3.81Å
116F98.3Very high96.1Very high35 Ų3548.4 Ų48.415%0.15426%0.264CS..Hα-helixtrans-61.3-48.1176.2175.3-107.3000112.2A88 F89 L92 T112 V113 A114 N119 L120A88-F116 HydrophobicContact CB-CD2 4.25Å; A88-F116 HydrophobicContact CB-CE2 4.23Å; F89-F116 AromaticContact CD1-CE2 3.8Å; F89-F116 HydrophobicContact CD1-CE2 3.8Å; F89-F116 AromaticContact CD1-CZ 3.92Å; F89-F116 HydrophobicContact CD1-CZ 3.92Å; F89-F116 AromaticContact CE1-CE2 3.87Å; F89-F116 HydrophobicContact CE1-CE2 3.87Å; F89-F116 AromaticContact CE1-CZ 3.53Å; F89-F116 HydrophobicContact CE1-CZ 3.53Å; F89-F116 HydrophobicContact CG-CE2 4.18Å; F89-F116 HydrophobicContact CZ-CE2 4.3Å; F89-F116 AromaticContact CZ-CZ 3.93Å; F89-F116 HydrophobicContact CZ-CZ 3.93Å; L92-F116 HydrophobicContact CB-CB 4.35Å; L92-F116 HydrophobicContact CB-CD2 3.82Å; L92-F116 HydrophobicContact CB-CE2 4.46Å; L92-F116 HydrophobicContact CB-CG 4.23Å; L92-F116 HydrophobicContact CD1-CB 4.13Å; L92-F116 HydrophobicContact CD1-CG 4.38Å; L92-F116 HydrophobicContact CD2-CD1 4.12Å; L92-F116 HydrophobicContact CD2-CD2 3.87Å; L92-F116 HydrophobicContact CD2-CE1 4.26Å; L92-F116 HydrophobicContact CD2-CE2 4.03Å; L92-F116 HydrophobicContact CD2-CG 3.91Å; L92-F116 HydrophobicContact CD2-CZ 4.22Å; L92-F116 HydrophobicContact CG-CD2 4.35Å; L92-F116 HydrophobicContact CG-CG 4.39Å; T112-F116 PolarHBondContact O-N 3.31Å; V113-F116 WeakPolarHBondContact O-CB 3.2Å; V113-F116 PolarHBondContact O-N 3.42Å; A114-F116 VanDerWaalsContact C-N 3.3Å; A114-F116 PolarHBondContact O-N 3.48Å; F116-N119 PolarHBondContact O-N 2.9Å; F116-L120 HydrophobicContact CD1-CD1 4.25Å; F116-L120 HydrophobicContact CE1-CD1 3.57Å; F116-L120 HydrophobicContact CE1-CG 4.27Å; F116-L120 HydrophobicContact CE2-CD1 4.28Å; F116-L120 HydrophobicContact CE2-CD2 4.21Å; F116-L120 HydrophobicContact CE2-CG 4.22Å; F116-L120 HydrophobicContact CZ-CD1 3.59Å; F116-L120 HydrophobicContact CZ-CD2 4.21Å; F116-L120 HydrophobicContact CZ-CG 4.04Å; F116-L120 WeakPolarHBondContact O-CG 3.06Å; F116-L120 PolarHBondContact O-N 3Å
117C98.5Very high96.6Very high58 Ų5844.3 Ų44.339%0.39224%0.244SC..Hα-helixtrans-61.8-44.8178.6-69.20000112.6V113 A114 N119 L120 L121V113-C117 PolarHBondContact O-N 2.86Å; V113-C117 PolarHBondContact O-SG 3.39Å; V113-C117 VanDerWaalsContact O-SG 3.36Å; A114-C117 PolarHBondContact O-N 3.5Å; C117-N119 VanDerWaalsContact C-N 3.31Å; C117-N119 PolarHBondContact O-N 3.28Å; C117-L120 PolarHBondContact O-N 2.99Å; C117-L121 PolarHBondContact O-N 3.41Å
118F98.6Very high96.9Very high65 Ų6539.4 Ų39.429%0.28522%0.222SC..Hα-helixtrans-65.1-35.1176.7-70.7-51.6000112.1A114 L121 D122 A154 V158A114-F118 HydrophobicContact CB-CD2 4.37Å; A114-F118 HydrophobicContact CB-CE2 4.18Å; A114-F118 WeakPolarHBondContact O-CD2 3.5Å; A114-F118 WeakPolarHBondContact O-CG 3.31Å; A114-F118 PolarHBondContact O-N 3.48Å; F118-L121 HydrophobicContact CD1-CD1 4.43Å; F118-L121 PolarHBondContact O-N 3.01Å; F118-D122 VanDerWaalsContact O-CB 3.26Å; F118-D122 WeakPolarHBondContact O-CB 3.31Å; F118-D122 PolarHBondContact O-N 3.23Å; F118-A154 HydrophobicContact CD1-CB 3.84Å; F118-A154 HydrophobicContact CD2-CB 3.96Å; F118-A154 HydrophobicContact CE1-CB 3.88Å; F118-A154 HydrophobicContact CE2-CB 3.99Å; F118-A154 HydrophobicContact CG-CB 3.91Å; F118-A154 HydrophobicContact CZ-CB 3.96Å; F118-V158 HydrophobicContact CD2-CG2 4.03Å; F118-V158 HydrophobicContact CE2-CG2 3.97Å
119N98.1Very high97.2Very high1 Ų140.2 Ų40.21%0.00523%0.227CC..Hα-helixtrans-65.7-39.8173.9-159.8-15.7000111.8R84 A88 A115 F116 C117 D122 V123 Y155R84-N119 PolarHBondContact NH2-OD1 3.46Å; A88-N119 HydrophobicContact CB-CB 4.11Å; A115-N119 WeakPolarHBondContact O-CB 3.48Å; A115-N119 PolarHBondContact O-N 2.91Å; F116-N119 PolarHBondContact O-N 2.9Å; C117-N119 VanDerWaalsContact C-N 3.31Å; C117-N119 PolarHBondContact O-N 3.28Å; N119-D122 WeakPolarHBondContact O-CB 3.48Å; N119-D122 PolarHBondContact O-N 3.44Å; N119-V123 VanDerWaalsContact O-CG2 3.32Å; N119-V123 WeakPolarHBondContact O-CG2 3.32Å; N119-V123 PolarHBondContact O-N 2.78Å; N119-Y155 HydrophobicContact CB-CD2 3.63Å; N119-Y155 HydrophobicContact CB-CE2 3.63Å; N119-Y155 HydrophobicContact CB-CG 4.35Å; N119-Y155 WeakPolarHBondContact ND2-CE2 3.48Å; N119-Y155 PolarHBondContact ND2-OH 2.68Å
120L98.3Very high97.4Very high60 Ų6035.4 Ų35.431%0.31421%0.207SC..Hα-helixtrans-64.5-41.6173.8-67-175000112.1L85 A88 F116 C117 G124L85-L120 HydrophobicContact CD2-CD2 3.7Å; A88-L120 HydrophobicContact CB-CD2 4.34Å; F116-L120 HydrophobicContact CD1-CD1 4.25Å; F116-L120 HydrophobicContact CE1-CD1 3.57Å; F116-L120 HydrophobicContact CE1-CG 4.27Å; F116-L120 HydrophobicContact CE2-CD1 4.28Å; F116-L120 HydrophobicContact CE2-CD2 4.21Å; F116-L120 HydrophobicContact CE2-CG 4.22Å; F116-L120 HydrophobicContact CZ-CD1 3.59Å; F116-L120 HydrophobicContact CZ-CD2 4.21Å; F116-L120 HydrophobicContact CZ-CG 4.04Å; F116-L120 WeakPolarHBondContact O-CG 3.06Å; F116-L120 PolarHBondContact O-N 3Å; C117-L120 PolarHBondContact O-N 2.99Å; L120-G124 PolarHBondContact O-N 2.98Å
121L98.2Very high97.6Very high93 Ų9334 Ų3449%0.48720%0.198SC..Hα-helixtrans-65.7-42.1176.1-74.2174.9000111.9C117 F118 G124 S125 A151C117-L121 PolarHBondContact O-N 3.41Å; F118-L121 HydrophobicContact CD1-CD1 4.43Å; F118-L121 PolarHBondContact O-N 3.01Å; L121-G124 PolarHBondContact O-N 3.06Å; L121-S125 VanDerWaalsContact O-CB 3.25Å; L121-S125 WeakPolarHBondContact O-CB 3.31Å; L121-S125 PolarHBondContact O-N 3.49Å; L121-S125 PolarHBondContact O-OG 3.01Å; L121-A151 HydrophobicContact CB-CB 3.82Å
122D98.2Very high97.6Very high3 Ų334.3 Ų34.32%0.01620%0.199CC..Hα-helixtrans-53.8-55.4173168.957.4000110.7R84 F118 N119 G124 S125 F126 F148 A151 S152 H230R84-D122 IonicContact NH2-OD2 3.56Å; R84-D122 PolarHBondContact NH2-OD2 2.86Å; F118-D122 VanDerWaalsContact O-CB 3.26Å; F118-D122 WeakPolarHBondContact O-CB 3.31Å; F118-D122 PolarHBondContact O-N 3.23Å; N119-D122 WeakPolarHBondContact O-CB 3.48Å; N119-D122 PolarHBondContact O-N 3.44Å; D122-G124 PolarHBondContact O-N 3.11Å; D122-S125 PolarHBondContact O-OG 2.92Å; D122-S125 VanDerWaalsContact O-OG 3.12Å; D122-F126 VanDerWaalsContact O-CB 3.25Å; D122-F126 WeakPolarHBondContact O-CB 3.5Å; D122-F126 PolarHBondContact O-N 3.34Å; D122-F148 WeakPolarHBondContact OD1-CD2 3.35Å; D122-F148 WeakPolarHBondContact OD1-CE2 3.48Å; D122-A151 HydrophobicContact CB-CB 4.49Å; D122-S152 VanDerWaalsContact OD1-CB 3.29Å; D122-S152 WeakPolarHBondContact OD1-CB 3.37Å; D122-H230 IonicContact OD2-CE1 3.75Å; D122-H230 IonicContact OD2-NE2 3.65Å; D122-H230 PolarHBondContact OD2-NE2 2.74Å
123V97.7Very high97.5Very high8 Ų834.6 Ų34.65%0.04820%0.201CC..Hα-helixtrans-64.6-44.8-180178.40000111.9R84 L85 N119 F126 V127R84-V123 HydrophobicContact CB-CG1 4.19Å; R84-V123 HydrophobicContact CB-CG2 3.66Å; L85-V123 HydrophobicContact CD2-CB 4.26Å; L85-V123 HydrophobicContact CD2-CG1 3.94Å; L85-V123 HydrophobicContact CG-CG1 4.05Å; N119-V123 VanDerWaalsContact O-CG2 3.32Å; N119-V123 WeakPolarHBondContact O-CG2 3.32Å; N119-V123 PolarHBondContact O-N 2.78Å; V123-F126 PolarHBondContact O-N 3.33Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.36Å; V123-V127 PolarHBondContact O-N 3.03Å
124G97.9Very high97.3Very high44 Ų4433.5 Ų33.545%0.45419%0.193SC..Hα-helixtrans-64.8-45.5-17800000112.8L120 L121 D122 V127 G128L120-G124 PolarHBondContact O-N 2.98Å; L121-G124 PolarHBondContact O-N 3.06Å; D122-G124 PolarHBondContact O-N 3.11Å; G124-V127 PolarHBondContact O-N 3.09Å; G124-G128 PolarHBondContact O-N 3.49Å
125S98.2Very high96.9Very high8 Ų837.6 Ų37.66%0.05621%0.207CC..Hα-helixtrans-67.1-39.8176.657.30000112L121 D122 V127 G128 V129 F148L121-S125 VanDerWaalsContact O-CB 3.25Å; L121-S125 WeakPolarHBondContact O-CB 3.31Å; L121-S125 PolarHBondContact O-N 3.49Å; L121-S125 PolarHBondContact O-OG 3.01Å; D122-S125 PolarHBondContact O-OG 2.92Å; D122-S125 VanDerWaalsContact O-OG 3.12Å; S125-V127 PolarHBondContact O-N 2.95Å; S125-G128 CarbonylContact O-C 3.31Å; S125-G128 WeakPolarHBondContact O-CA 3.5Å; S125-G128 PolarHBondContact O-N 3.47Å; S125-G128 VanDerWaalsContact O-N 3.09Å; S125-V129 WeakPolarHBondContact O-CG2 3.14Å; S125-V129 PolarHBondContact O-N 2.85Å; S125-F148 WeakPolarHBondContact OG-CA 3.14Å; S125-F148 WeakPolarHBondContact OG-CB 3.48Å
126F97.6Very high96.6Very high36 Ų3643 Ų4316%0.15823%0.232CC..Hα-helixtrans-61.8-43.9175.1-177.1-116.3000112.7W73 V77 D122 V123 G128 V129 A130 F148W73-F126 HydrophobicContact CH2-CZ 4.14Å; W73-F126 HydrophobicContact CZ2-CE2 4.19Å; W73-F126 AromaticContact CZ2-CZ 3.85Å; W73-F126 HydrophobicContact CZ2-CZ 3.85Å; V77-F126 HydrophobicContact CB-CE1 4.35Å; V77-F126 HydrophobicContact CG1-CD1 3.9Å; V77-F126 HydrophobicContact CG1-CE1 3.7Å; V77-F126 HydrophobicContact CG1-CZ 4.5Å; V77-F126 HydrophobicContact CG2-CE1 3.8Å; V77-F126 HydrophobicContact CG2-CZ 3.92Å; D122-F126 VanDerWaalsContact O-CB 3.25Å; D122-F126 WeakPolarHBondContact O-CB 3.5Å; D122-F126 PolarHBondContact O-N 3.34Å; V123-F126 PolarHBondContact O-N 3.33Å; F126-G128 VanDerWaalsContact C-N 3.28Å; F126-G128 PolarHBondContact O-N 3.49Å; F126-V129 PolarHBondContact O-N 3.06Å; F126-A130 PolarHBondContact O-N 3.08Å; F126-F148 HydrophobicContact CB-CD2 3.73Å; F126-F148 HydrophobicContact CB-CE2 3.84Å; F126-F148 HydrophobicContact CD2-CD2 4.27Å; F126-F148 AromaticContact CD2-CE2 3.9Å; F126-F148 HydrophobicContact CD2-CE2 3.9Å; F126-F148 HydrophobicContact CD2-CZ 4.09Å; F126-F148 HydrophobicContact CG-CD2 4.41Å; F126-F148 HydrophobicContact CG-CE2 4.12Å
127V97.9Very high96.5Very high39 Ų3944.7 Ų44.724%0.23624%0.243CC..Hα-helixtrans-60.5-42.4172171.10000110.1V77 V123 G124 S125 V129 A130 F131V77-V127 HydrophobicContact CG1-CG2 4.18Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.36Å; V123-V127 PolarHBondContact O-N 3.03Å; G124-V127 PolarHBondContact O-N 3.09Å; S125-V127 PolarHBondContact O-N 2.95Å; V127-V129 PolarHBondContact O-N 3.36Å; V127-A130 PolarHBondContact O-N 2.86Å; V127-F131 HydrophobicContact CG1-CD2 3.88Å; V127-F131 HydrophobicContact CG1-CE2 4.15Å; V127-F131 WeakPolarHBondContact O-CB 3.18Å; V127-F131 VanDerWaalsContact O-CD2 3.31Å; V127-F131 WeakPolarHBondContact O-CD2 3.31Å; V127-F131 PolarHBondContact O-N 2.91Å
128G97.5Very high96.3Very high13 Ų1347.8 Ų47.813%0.13425%0.247CC..Hα-helixtrans-54.9-51.4173.800000112.9G124 S125 F126 A130 F131 I132G124-G128 PolarHBondContact O-N 3.49Å; S125-G128 CarbonylContact O-C 3.31Å; S125-G128 WeakPolarHBondContact O-CA 3.5Å; S125-G128 PolarHBondContact O-N 3.47Å; S125-G128 VanDerWaalsContact O-N 3.09Å; F126-G128 VanDerWaalsContact C-N 3.28Å; F126-G128 PolarHBondContact O-N 3.49Å; G128-A130 VanDerWaalsContact C-N 3.29Å; G128-A130 PolarHBondContact O-N 3.27Å; G128-F131 PolarHBondContact O-N 3.18Å; G128-I132 WeakPolarHBondContact O-CB 3.36Å; G128-I132 PolarHBondContact O-N 3.49Å
129V97.6Very high96.2Very high17 Ų1748.3 Ų48.310%0.10326%0.257CS..Hα-helixtrans-58.9-38.7177.6172.90000111.7S125 F126 V127 L144 F145S125-V129 WeakPolarHBondContact O-CG2 3.14Å; S125-V129 PolarHBondContact O-N 2.85Å; F126-V129 PolarHBondContact O-N 3.06Å; V127-V129 PolarHBondContact O-N 3.36Å; V129-L144 HydrophobicContact CG2-CB 3.71Å; V129-F145 HydrophobicContact CG2-CB 4.14Å
130A96.8Very high96.2Very high5 Ų551.8 Ų51.84%0.04128%0.275CS..Hα-helixtrans-74.1-32.5-179.900000113.6R74 V77 F126 V127 G128R74-A130 WeakPolarHBondContact CG-O 3.27Å; V77-A130 HydrophobicContact CB-CB 3.78Å; V77-A130 HydrophobicContact CG1-CB 3.57Å; V77-A130 HydrophobicContact CG2-CB 3.77Å; F126-A130 PolarHBondContact O-N 3.08Å; V127-A130 PolarHBondContact O-N 2.86Å; G128-A130 VanDerWaalsContact C-N 3.29Å; G128-A130 PolarHBondContact O-N 3.27Å
131F96.8Very high96.1Very high92 Ų9249.5 Ų49.540%0.40426%0.263SS..Hα-helixtrans-92-30.6-176.7-83.1-105000113.3R74 V127 G128R74-F131 HydrophobicContact CB-CE1 4.34Å; R74-F131 HydrophobicContact CB-CE2 4.38Å; R74-F131 HydrophobicContact CB-CZ 4.17Å; R74-F131 HydrophobicContact CG-CD1 4.38Å; R74-F131 HydrophobicContact CG-CD2 4.46Å; R74-F131 HydrophobicContact CG-CE1 4.48Å; R74-F131 HydrophobicContact CG-CG 4.38Å; R74-F131 PolarHBondContact NE-O 3.24Å; R74-F131 PolarHBondContact NH2-O 3.23Å; V127-F131 HydrophobicContact CG1-CD2 3.88Å; V127-F131 HydrophobicContact CG1-CE2 4.15Å; V127-F131 WeakPolarHBondContact O-CB 3.18Å; V127-F131 VanDerWaalsContact O-CD2 3.31Å; V127-F131 WeakPolarHBondContact O-CD2 3.31Å; V127-F131 PolarHBondContact O-N 2.91Å; G128-F131 PolarHBondContact O-N 3.18Å
132I96.6Very high96Very high48 Ų4848.1 Ų48.125%0.24625%0.254CS..SBendtrans-99.6100.1175.6-63.4158.4000107.4G128 N137 L140 H141 L144G128-I132 WeakPolarHBondContact O-CB 3.36Å; G128-I132 PolarHBondContact O-N 3.49Å; I132-N137 HydrophobicContact CG2-CB 4.07Å; I132-L140 HydrophobicContact CD1-CD2 3.74Å; I132-L140 HydrophobicContact CD1-CG 4.18Å; I132-L140 HydrophobicContact CG2-CB 4.48Å; I132-L140 HydrophobicContact CG2-CD2 4.31Å; I132-L140 HydrophobicContact CG2-CG 4.36Å; I132-H141 PolarHBondContact O-ND1 2.83Å; I132-L144 HydrophobicContact CB-CD1 4.41Å; I132-L144 HydrophobicContact CD1-CD1 3.56Å
133S93.1Very high96Very high6 Ų653.7 Ų53.74%0.04228%0.28CS..  trans-70.4150.5-178.7176.40000111.2G65 Q135 E136 N137G65-S133 WeakPolarHBondContact CA-OG 3.47Å; S133-Q135 PolarHBondContact O-N 2.97Å; S133-Q135 PolarHBondContact OG-N 3.39Å; S133-E136 PolarHBondContact N-OE2 2.83Å; S133-E136 PolarHBondContact O-N 3.26Å; S133-N137 PolarHBondContact O-N 3.2Å
134N91.5Very high96.1Very high40 Ų4055 Ų5521%0.21429%0.286CS..THydrogen-bonded Turntrans-58.8-27.1169.864.2-20.9000112.2S61 Y138 H141S61-N134 PolarHBondContact O-OD1 2.86Å; N134-Y138 HydrophobicContact CB-CD2 4.33Å; N134-Y138 PolarHBondContact O-N 3.44Å; N134-H141 PolarHBondContact N-ND1 2.88Å
135Q90Very high96.1Very high117 Ų11754.1 Ų54.155%0.54727%0.27SS..THydrogen-bonded Turntrans-73.6-25.9173.9-61.7-166.2-3.800113.4S133S133-Q135 PolarHBondContact O-N 2.97Å; S133-Q135 PolarHBondContact OG-N 3.39Å
136E92.4Very high96.1Very high116 Ų11657.6 Ų57.654%0.54229%0.287SS..THydrogen-bonded Turntrans-89.3-47.7-177.4-68.3168161.200111.5R74 S133R74-E136 IonicContact CZ-OE1 3.32Å; R74-E136 IonicContact NH1-OE1 2.67Å; R74-E136 IonicContact NH2-OE1 3.46Å; R74-E136 PolarHBondContact NH2-OE1 3.33Å; R74-E136 IonicContact NH2-OE2 3.7Å; R74-E136 PolarHBondContact NH2-OE2 2.95Å; S133-E136 PolarHBondContact N-OE2 2.83Å; S133-E136 PolarHBondContact O-N 3.26Å
137N96Very high96.1Very high70 Ų7059 Ų5937%0.37430%0.299SS..  trans-152.687.5179.2-171.6-25.7000110.4I132 S133 P139 L140 H141I132-N137 HydrophobicContact CG2-CB 4.07Å; S133-N137 PolarHBondContact O-N 3.2Å; N137-P139 WeakPolarHBondContact OD1-CD 3.47Å; N137-L140 HydrophobicContact CB-CB 4.26Å; N137-L140 PolarHBondContact O-N 3Å; N137-L140 WeakPolarHBondContact OD1-CB 3.26Å; N137-L140 PolarHBondContact OD1-N 2.84Å; N137-L140 VanDerWaalsContact OD1-N 3.15Å; N137-H141 WeakPolarHBondContact O-CB 3.28Å; N137-H141 PolarHBondContact O-N 3.39Å
138Y93.4Very high96.1Very high123 Ų12357.9 Ų57.948%0.48229%0.29SS..Hα-helixtrans-55.8-51.1-178.8178.6-88000113.7N134 L140 H141 E142N134-Y138 HydrophobicContact CB-CD2 4.33Å; N134-Y138 PolarHBondContact O-N 3.44Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.32Å; Y138-H141 PolarHBondContact O-N 2.98Å; Y138-E142 WeakPolarHBondContact CE1-OE2 3.32Å; Y138-E142 WeakPolarHBondContact O-CB 3.29Å; Y138-E142 PolarHBondContact O-N 3.38Å
139P97Very high96.2Very high76 Ų7658.1 Ų58.149%0.49429%0.288SS..Hα-helixtrans-59-42-178.7-25.634.2000113.6N137 H143N137-P139 WeakPolarHBondContact OD1-CD 3.47Å; P139-H143 PolarHBondContact O-CD2 2.96Å; P139-H143 PolarHBondContact O-N 3.15Å; P139-H143 VanDerWaalsContact O-N 3.09Å
140L97.7Very high96.2Very high73 Ų7361.8 Ų61.838%0.38231%0.311SS..Hα-helixtrans-69.9-41.1179-177.856.4000111.6I132 N137 Y138 H143 L144I132-L140 HydrophobicContact CD1-CD2 3.74Å; I132-L140 HydrophobicContact CD1-CG 4.18Å; I132-L140 HydrophobicContact CG2-CB 4.48Å; I132-L140 HydrophobicContact CG2-CD2 4.31Å; I132-L140 HydrophobicContact CG2-CG 4.36Å; N137-L140 HydrophobicContact CB-CB 4.26Å; N137-L140 PolarHBondContact O-N 3Å; N137-L140 WeakPolarHBondContact OD1-CB 3.26Å; N137-L140 PolarHBondContact OD1-N 2.84Å; N137-L140 VanDerWaalsContact OD1-N 3.15Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.32Å; L140-H143 PolarHBondContact O-N 2.92Å; L140-L144 HydrophobicContact CD1-CD1 4.22Å; L140-L144 HydrophobicContact CD1-CG 4.3Å; L140-L144 HydrophobicContact CG-CD1 4Å; L140-L144 WeakPolarHBondContact O-CB 3.5Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 3.17Å
141H97.1Very high96.3Very high13 Ų1361.7 Ų61.76%0.0631%0.31CS..Hα-helixtrans-58.4-47.4174.917998000111.5S61 I132 N134 N137 Y138 H143 L144 F145S61-H141 WeakPolarHBondContact CB-NE2 3.28Å; S61-H141 PolarHBondContact OG-CE1 3.41Å; S61-H141 PolarHBondContact OG-NE2 3.13Å; I132-H141 PolarHBondContact O-ND1 2.83Å; N134-H141 PolarHBondContact N-ND1 2.88Å; N137-H141 WeakPolarHBondContact O-CB 3.28Å; N137-H141 PolarHBondContact O-N 3.39Å; Y138-H141 PolarHBondContact O-N 2.98Å; H141-H143 PolarHBondContact O-N 3.43Å; H141-L144 PolarHBondContact O-N 3.13Å; H141-F145 WeakPolarHBondContact O-CB 3.32Å; H141-F145 PolarHBondContact O-N 3.27Å
142E96.1Very high96.4Very high64 Ų6457.3 Ų57.330%0.29929%0.291SS..Hα-helixtrans-58.9-47.7177.2-178-178.9-172.400111.5Y138 L144 F145 I146Y138-E142 WeakPolarHBondContact CE1-OE2 3.32Å; Y138-E142 WeakPolarHBondContact O-CB 3.29Å; Y138-E142 PolarHBondContact O-N 3.38Å; E142-L144 PolarHBondContact O-N 3.4Å; E142-F145 PolarHBondContact O-N 2.97Å; E142-I146 HydrophobicContact CG-CD1 4.15Å; E142-I146 WeakPolarHBondContact O-CG1 3.47Å; E142-I146 PolarHBondContact O-N 3.34Å
143H97.9Very high96.4Very high120 Ų12056.4 Ų56.456%0.55629%0.287SS*.Hα-helixtrans-60.7-43.2176.7-78.4-54.1000112.7P139 L140 H141 F145 I146 V147P139-H143 PolarHBondContact O-CD2 2.96Å; P139-H143 PolarHBondContact O-N 3.15Å; P139-H143 VanDerWaalsContact O-N 3.09Å; L140-H143 PolarHBondContact O-N 2.92Å; H141-H143 PolarHBondContact O-N 3.43Å; H143-F145 VanDerWaalsContact C-N 3.32Å; H143-F145 PolarHBondContact O-N 3.27Å; H143-I146 PolarHBondContact O-N 3.19Å; H143-V147 VanDerWaalsContact O-CG2 3.31Å; H143-V147 WeakPolarHBondContact O-CG2 3.13Å; H143-V147 PolarHBondContact O-N 3.21Å
144L98.4Very high96.7Very high34 Ų3457.2 Ų57.218%0.17830%0.295CS..Hα-helixtrans-63.9-38.7177.2-72.9166.1000111.9V129 I132 L140 H141 E142 V147 F148V129-L144 HydrophobicContact CG2-CB 3.71Å; I132-L144 HydrophobicContact CB-CD1 4.41Å; I132-L144 HydrophobicContact CD1-CD1 3.56Å; L140-L144 HydrophobicContact CD1-CD1 4.22Å; L140-L144 HydrophobicContact CD1-CG 4.3Å; L140-L144 HydrophobicContact CG-CD1 4Å; L140-L144 WeakPolarHBondContact O-CB 3.5Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 3.17Å; H141-L144 PolarHBondContact O-N 3.13Å; E142-L144 PolarHBondContact O-N 3.4Å; L144-V147 PolarHBondContact O-N 3.42Å; L144-F148 WeakPolarHBondContact O-CB 3.32Å; L144-F148 PolarHBondContact O-N 3.5Å
145F98Very high97Very high26 Ų2655.5 Ų55.511%0.11429%0.285CS..Hα-helixtrans-63.6-44.2175.7-178.8-110000111.9V129 H141 E142 H143 V147 F148 L149 L196 E219V129-F145 HydrophobicContact CG2-CB 4.14Å; H141-F145 WeakPolarHBondContact O-CB 3.32Å; H141-F145 PolarHBondContact O-N 3.27Å; E142-F145 PolarHBondContact O-N 2.97Å; H143-F145 VanDerWaalsContact C-N 3.32Å; H143-F145 PolarHBondContact O-N 3.27Å; F145-V147 PolarHBondContact O-N 3.33Å; F145-F148 HydrophobicContact CD2-CD1 4.48Å; F145-F148 WeakPolarHBondContact O-CB 3.22Å; F145-F148 PolarHBondContact O-N 3.43Å; F145-L149 HydrophobicContact CD1-CD1 4.13Å; F145-L149 HydrophobicContact CE1-CD1 3.6Å; F145-L149 HydrophobicContact CE1-CG 4.23Å; F145-L149 HydrophobicContact CE2-CD2 4.42Å; F145-L149 HydrophobicContact CE2-CG 4.44Å; F145-L149 HydrophobicContact CZ-CD1 3.87Å; F145-L149 HydrophobicContact CZ-CD2 4.2Å; F145-L149 HydrophobicContact CZ-CG 4.15Å; F145-L149 WeakPolarHBondContact O-CG 3.39Å; F145-L149 PolarHBondContact O-N 3.29Å; F145-L196 HydrophobicContact CE1-CD1 4.34Å; F145-L196 HydrophobicContact CZ-CD1 4.12Å; F145-E219 HydrophobicContact CE2-CG 4.22Å; F145-E219 HydrophobicContact CZ-CG 4.05Å
146I98.1Very high97.5Very high81 Ų8150 Ų5042%0.41526%0.259SS..Hα-helixtrans-61.3-45.4174.9-66.2165.4000110.9E142 H143 F148 L149 V150E142-I146 HydrophobicContact CG-CD1 4.15Å; E142-I146 WeakPolarHBondContact O-CG1 3.47Å; E142-I146 PolarHBondContact O-N 3.34Å; H143-I146 PolarHBondContact O-N 3.19Å; I146-F148 VanDerWaalsContact C-N 3.3Å; I146-F148 PolarHBondContact O-N 3.02Å; I146-L149 PolarHBondContact O-N 3.02Å; I146-V150 HydrophobicContact CG2-CG2 4.49Å; I146-V150 WeakPolarHBondContact O-CG2 3.27Å; I146-V150 PolarHBondContact O-N 3.3Å
147V98.4Very high97.7Very high67 Ų6747.7 Ų47.741%0.40625%0.253SS..Hα-helixtrans-61.1-40.8177.2172.40000110.8H143 L144 F145 V150 A151H143-V147 VanDerWaalsContact O-CG2 3.31Å; H143-V147 WeakPolarHBondContact O-CG2 3.13Å; H143-V147 PolarHBondContact O-N 3.21Å; L144-V147 PolarHBondContact O-N 3.42Å; F145-V147 PolarHBondContact O-N 3.33Å; V147-V150 PolarHBondContact O-N 3.45Å; V147-A151 WeakPolarHBondContact O-CB 3.46Å; V147-A151 PolarHBondContact O-N 2.98Å
148F98.4Very high97.8Very high15 Ų1545.2 Ų45.27%0.06624%0.241CC..Hα-helixtrans-60.4-49.1175.2166.4-104.8000112.2D122 S125 F126 L144 F145 I146 V150 A151 S152D122-F148 WeakPolarHBondContact OD1-CD2 3.35Å; D122-F148 WeakPolarHBondContact OD1-CE2 3.48Å; S125-F148 WeakPolarHBondContact OG-CA 3.14Å; S125-F148 WeakPolarHBondContact OG-CB 3.48Å; F126-F148 HydrophobicContact CB-CD2 3.73Å; F126-F148 HydrophobicContact CB-CE2 3.84Å; F126-F148 HydrophobicContact CD2-CD2 4.27Å; F126-F148 AromaticContact CD2-CE2 3.9Å; F126-F148 HydrophobicContact CD2-CE2 3.9Å; F126-F148 HydrophobicContact CD2-CZ 4.09Å; F126-F148 HydrophobicContact CG-CD2 4.41Å; F126-F148 HydrophobicContact CG-CE2 4.12Å; L144-F148 WeakPolarHBondContact O-CB 3.32Å; L144-F148 PolarHBondContact O-N 3.5Å; F145-F148 HydrophobicContact CD2-CD1 4.48Å; F145-F148 WeakPolarHBondContact O-CB 3.22Å; F145-F148 PolarHBondContact O-N 3.43Å; I146-F148 VanDerWaalsContact C-N 3.3Å; I146-F148 PolarHBondContact O-N 3.02Å; F148-V150 PolarHBondContact O-N 3.36Å; F148-A151 PolarHBondContact O-N 3.11Å; F148-S152 VanDerWaalsContact O-CB 3.22Å; F148-S152 WeakPolarHBondContact O-CB 3.49Å; F148-S152 PolarHBondContact O-N 2.87Å; F148-S152 PolarHBondContact O-OG 2.97Å
149L98.2Very high98Very high17 Ų1739.3 Ų39.39%0.08922%0.218CC..Hα-helixtrans-58.3-48.9177-68.3-179.6000111.2F145 I146 S152 T153 I193 I222F145-L149 HydrophobicContact CD1-CD1 4.13Å; F145-L149 HydrophobicContact CE1-CD1 3.6Å; F145-L149 HydrophobicContact CE1-CG 4.23Å; F145-L149 HydrophobicContact CE2-CD2 4.42Å; F145-L149 HydrophobicContact CE2-CG 4.44Å; F145-L149 HydrophobicContact CZ-CD1 3.87Å; F145-L149 HydrophobicContact CZ-CD2 4.2Å; F145-L149 HydrophobicContact CZ-CG 4.15Å; F145-L149 WeakPolarHBondContact O-CG 3.39Å; F145-L149 PolarHBondContact O-N 3.29Å; I146-L149 PolarHBondContact O-N 3.02Å; L149-S152 PolarHBondContact O-OG 3.41Å; L149-T153 WeakPolarHBondContact O-CB 3.37Å; L149-T153 PolarHBondContact O-N 3.37Å; L149-T153 VanDerWaalsContact O-N 3.08Å; L149-T153 PolarHBondContact O-OG1 3.4Å; L149-I193 HydrophobicContact CD2-CD1 4.44Å; L149-I193 HydrophobicContact CD2-CG1 4.37Å; L149-I222 HydrophobicContact CD2-CD1 4.33Å; L149-I222 HydrophobicContact CD2-CG2 3.77Å
150V98.4Very high98.1Very high94 Ų9436.4 Ų36.457%0.5720%0.198SC*.Hα-helixtrans-64.7-46-179.7174.30000111.6I146 V147 F148 A154I146-V150 HydrophobicContact CG2-CG2 4.49Å; I146-V150 WeakPolarHBondContact O-CG2 3.27Å; I146-V150 PolarHBondContact O-N 3.3Å; V147-V150 PolarHBondContact O-N 3.45Å; F148-V150 PolarHBondContact O-N 3.36Å; V150-A154 WeakPolarHBondContact O-CB 3.34Å; V150-A154 PolarHBondContact O-N 3.19Å
151A98.5Very high98Very high4 Ų434.7 Ų34.73%0.03319%0.194CC..Hα-helixtrans-66.7-42-177.900000112L121 D122 V147 F148 A154 Y155L121-A151 HydrophobicContact CB-CB 3.82Å; D122-A151 HydrophobicContact CB-CB 4.49Å; V147-A151 WeakPolarHBondContact O-CB 3.46Å; V147-A151 PolarHBondContact O-N 2.98Å; F148-A151 PolarHBondContact O-N 3.11Å; A151-A154 PolarHBondContact O-N 2.98Å; A151-Y155 VanDerWaalsContact O-CB 3.31Å; A151-Y155 WeakPolarHBondContact O-CB 3.19Å; A151-Y155 PolarHBondContact O-N 3.14Å
152S98.3Very high97.9Very high0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-66-47.6178.660.40000112.1D122 F148 L149 A154 Y155 M156 N226D122-S152 VanDerWaalsContact OD1-CB 3.29Å; D122-S152 WeakPolarHBondContact OD1-CB 3.37Å; F148-S152 VanDerWaalsContact O-CB 3.22Å; F148-S152 WeakPolarHBondContact O-CB 3.49Å; F148-S152 PolarHBondContact O-N 2.87Å; F148-S152 PolarHBondContact O-OG 2.97Å; L149-S152 PolarHBondContact O-OG 3.41Å; S152-A154 PolarHBondContact O-N 3.24Å; S152-Y155 WeakPolarHBondContact O-CB 3.3Å; S152-Y155 PolarHBondContact O-N 3.38Å; S152-M156 WeakPolarHBondContact O-CG 3.22Å; S152-M156 PolarHBondContact O-N 3.36Å; S152-N226 VanDerWaalsContact CB-ND2 3.28Å; S152-N226 WeakPolarHBondContact CB-ND2 3.36Å
153T98.5Very high97.8Very high28 Ų2831 Ų3117%0.17218%0.177CC..Hα-helixtrans-63.1-42.5175.8-53.50000111.1L149 Y155 M156 V157 F186 D189 V190 I193L149-T153 WeakPolarHBondContact O-CB 3.37Å; L149-T153 PolarHBondContact O-N 3.37Å; L149-T153 VanDerWaalsContact O-N 3.08Å; L149-T153 PolarHBondContact O-OG1 3.4Å; T153-Y155 PolarHBondContact O-N 2.83Å; T153-M156 PolarHBondContact O-N 3.45Å; T153-V157 WeakPolarHBondContact O-CG2 3.11Å; T153-V157 PolarHBondContact O-N 2.98Å; T153-F186 HydrophobicContact CG2-CE2 4.01Å; T153-D189 PolarHBondContact OG1-OD2 3.03Å; T153-V190 HydrophobicContact CG2-CG2 4.13Å; T153-I193 WeakPolarHBondContact OG1-CD1 3.28Å
154A98.5Very high97.6Very high24 Ų2433.9 Ų33.920%0.19818%0.183CC..Hα-helixtrans-61.5-42.2175.400000112F118 V150 A151 S152 M156 V157 V158F118-A154 HydrophobicContact CD1-CB 3.84Å; F118-A154 HydrophobicContact CD2-CB 3.96Å; F118-A154 HydrophobicContact CE1-CB 3.88Å; F118-A154 HydrophobicContact CE2-CB 3.99Å; F118-A154 HydrophobicContact CG-CB 3.91Å; F118-A154 HydrophobicContact CZ-CB 3.96Å; V150-A154 WeakPolarHBondContact O-CB 3.34Å; V150-A154 PolarHBondContact O-N 3.19Å; A151-A154 PolarHBondContact O-N 2.98Å; S152-A154 PolarHBondContact O-N 3.24Å; A154-M156 PolarHBondContact O-N 2.95Å; A154-V157 PolarHBondContact O-N 2.89Å; A154-V158 VanDerWaalsContact O-CG2 3.28Å; A154-V158 WeakPolarHBondContact O-CG2 3.45Å; A154-V158 PolarHBondContact O-N 3.4Å
155Y98.6Very high97.3Very high4 Ų434.3 Ų34.32%0.01619%0.185CC..Hα-helixtrans-58.5-46.3173.3167.9-106000111.8A115 N119 A151 S152 T153 V158 T159 F229 H230A115-Y155 VanDerWaalsContact O-CD2 3.31Å; A115-Y155 WeakPolarHBondContact O-CD2 3.46Å; N119-Y155 HydrophobicContact CB-CD2 3.63Å; N119-Y155 HydrophobicContact CB-CE2 3.63Å; N119-Y155 HydrophobicContact CB-CG 4.35Å; N119-Y155 WeakPolarHBondContact ND2-CE2 3.48Å; N119-Y155 PolarHBondContact ND2-OH 2.68Å; A151-Y155 VanDerWaalsContact O-CB 3.31Å; A151-Y155 WeakPolarHBondContact O-CB 3.19Å; A151-Y155 PolarHBondContact O-N 3.14Å; S152-Y155 WeakPolarHBondContact O-CB 3.3Å; S152-Y155 PolarHBondContact O-N 3.38Å; T153-Y155 PolarHBondContact O-N 2.83Å; Y155-V158 PolarHBondContact O-N 3.49Å; Y155-T159 WeakPolarHBondContact CD2-OG1 3.39Å; Y155-T159 WeakPolarHBondContact CE2-OG1 3.24Å; Y155-T159 WeakPolarHBondContact O-CB 3.25Å; Y155-T159 PolarHBondContact O-N 2.99Å; Y155-T159 PolarHBondContact O-OG1 3.25Å; Y155-F229 HydrophobicContact CD1-CE1 4.22Å; Y155-F229 HydrophobicContact CE1-CD1 4.02Å; Y155-F229 AromaticContact CE1-CE1 3.65Å; Y155-F229 HydrophobicContact CE1-CE1 3.65Å; Y155-H230 AromaticContact CD1-CE1 3.73Å; Y155-H230 AromaticContact CE1-CE1 3.25Å; Y155-H230 WeakPolarHBondContact CE1-CE1 3.43Å; Y155-H230 AromaticContact CE1-ND1 3.73Å
156M98.6Very high96.9Very high0 Ų033.1 Ų33.10%018%0.179CC..Hα-helixtrans-60.5-47.2178.6-68.9-179.5-170.500111.6S152 T153 A154 T159 L160 F186 D189 N226 F229S152-M156 WeakPolarHBondContact O-CG 3.22Å; S152-M156 PolarHBondContact O-N 3.36Å; T153-M156 PolarHBondContact O-N 3.45Å; A154-M156 PolarHBondContact O-N 2.95Å; M156-T159 PolarHBondContact O-N 3.23Å; M156-L160 WeakPolarHBondContact O-CB 3.28Å; M156-L160 WeakPolarHBondContact O-CG 3.09Å; M156-L160 PolarHBondContact O-N 2.88Å; M156-F186 HydrophobicContact CB-CB 4.37Å; M156-F186 HydrophobicContact CB-CD2 3.76Å; M156-F186 HydrophobicContact CB-CG 4.41Å; M156-F186 HydrophobicContact SD-CB 4.35Å; M156-F186 HydrophobicContact SD-CD2 4.27Å; M156-D189 HydrophobicContact CE-CB 4.34Å; M156-D189 HydrophobicContact SD-CB 4.01Å; M156-N226 HydrophobicContact CE-CB 4.1Å; M156-F229 HydrophobicContact CB-CD2 4.22Å; M156-F229 HydrophobicContact CB-CE1 4.44Å; M156-F229 HydrophobicContact CB-CE2 3.77Å; M156-F229 HydrophobicContact CB-CZ 3.91Å; M156-F229 HydrophobicContact CE-CB 3.88Å; M156-F229 HydrophobicContact CE-CD2 4.47Å; M156-F229 HydrophobicContact CE-CG 4.13Å; M156-F229 HydrophobicContact CG-CD1 3.94Å; M156-F229 HydrophobicContact CG-CD2 3.67Å; M156-F229 HydrophobicContact CG-CE1 3.99Å; M156-F229 HydrophobicContact CG-CE2 3.7Å; M156-F229 HydrophobicContact CG-CG 3.8Å; M156-F229 HydrophobicContact CG-CZ 3.88Å; M156-F229 HydrophobicContact SD-CB 4.44Å; M156-F229 HydrophobicContact SD-CD2 3.95Å; M156-F229 HydrophobicContact SD-CE2 4.43Å; M156-F229 HydrophobicContact SD-CG 4.18Å
157V98.3Very high96.3Very high69 Ų6930.3 Ų30.342%0.41817%0.17SC..Hα-helixtrans-59.6-51.4178.3172.20000111.2T153 A154 T159 L160 A161 F186T153-V157 WeakPolarHBondContact O-CG2 3.11Å; T153-V157 PolarHBondContact O-N 2.98Å; A154-V157 PolarHBondContact O-N 2.89Å; V157-T159 VanDerWaalsContact C-N 3.34Å; V157-T159 PolarHBondContact O-N 2.94Å; V157-L160 PolarHBondContact O-N 3.48Å; V157-A161 PolarHBondContact O-N 3.05Å; V157-F186 HydrophobicContact CG2-CD2 4.24Å; V157-F186 HydrophobicContact CG2-CE2 3.32Å; V157-F186 HydrophobicContact CG2-CZ 3.49Å; V157-F186 VanDerWaalsContact CG2-CZ 3.49Å
158V97.8Very high95.1Very high17 Ų1733.3 Ų33.310%0.10318%0.183CC..Hα-helixtrans-67.2-38.8-177-179.10000110.6L111 A114 A115 F118 A154 Y155 A161 V162L111-V158 HydrophobicContact CB-CG1 4.19Å; L111-V158 HydrophobicContact CD2-CG1 3.98Å; L111-V158 WeakPolarHBondContact O-CG1 3.36Å; A114-V158 HydrophobicContact CB-CG1 4.21Å; A115-V158 HydrophobicContact CB-CB 4.4Å; A115-V158 HydrophobicContact CB-CG1 3.81Å; F118-V158 HydrophobicContact CD2-CG2 4.03Å; F118-V158 HydrophobicContact CE2-CG2 3.97Å; A154-V158 VanDerWaalsContact O-CG2 3.28Å; A154-V158 WeakPolarHBondContact O-CG2 3.45Å; A154-V158 PolarHBondContact O-N 3.4Å; Y155-V158 PolarHBondContact O-N 3.49Å; V158-A161 WeakPolarHBondContact O-CB 3.42Å; V158-A161 PolarHBondContact O-N 3.37Å; V158-V162 HydrophobicContact CG1-CG2 4.46Å; V158-V162 WeakPolarHBondContact O-CG2 3.36Å; V158-V162 PolarHBondContact O-N 2.85Å
159T97.7Very high93.9Very high0 Ų035.4 Ų35.40%020%0.197CC..Hα-helixtrans-62.2-44.5175.7-61.20000111.4Y155 M156 V157 A161 V162 H163 K182 F229Y155-T159 WeakPolarHBondContact CD2-OG1 3.39Å; Y155-T159 WeakPolarHBondContact CE2-OG1 3.24Å; Y155-T159 WeakPolarHBondContact O-CB 3.25Å; Y155-T159 PolarHBondContact O-N 2.99Å; Y155-T159 PolarHBondContact O-OG1 3.25Å; M156-T159 PolarHBondContact O-N 3.23Å; V157-T159 VanDerWaalsContact C-N 3.34Å; V157-T159 PolarHBondContact O-N 2.94Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.18Å; T159-V162 PolarHBondContact O-N 3.35Å; T159-H163 VanDerWaalsContact O-CB 3.3Å; T159-H163 WeakPolarHBondContact O-CB 3.46Å; T159-H163 PolarHBondContact O-N 3.46Å; T159-K182 HydrophobicContact CG2-CD 4.44Å; T159-F229 HydrophobicContact CG2-CE1 4.22Å; T159-F229 HydrophobicContact CG2-CZ 4.11Å
160L97.8Very high92.7Very high15 Ų1535.7 Ų35.78%0.07920%0.2CC..Hα-helixtrans-62.2-39.3174.5-76.4170.3000112M156 V157 H163 R164 F179 K182 L183 F186 F229M156-L160 WeakPolarHBondContact O-CB 3.28Å; M156-L160 WeakPolarHBondContact O-CG 3.09Å; M156-L160 PolarHBondContact O-N 2.88Å; V157-L160 PolarHBondContact O-N 3.48Å; L160-H163 PolarHBondContact O-N 3.31Å; L160-R164 VanDerWaalsContact O-CB 3.32Å; L160-R164 WeakPolarHBondContact O-CB 3.31Å; L160-R164 PolarHBondContact O-N 3.45Å; L160-F179 HydrophobicContact CD2-CD2 4.04Å; L160-F179 HydrophobicContact CD2-CE2 3.79Å; L160-F179 HydrophobicContact CD2-CZ 4.34Å; L160-K182 HydrophobicContact CD2-CB 3.66Å; L160-K182 HydrophobicContact CG-CB 4.5Å; L160-L183 HydrophobicContact CD1-CD1 4.2Å; L160-L183 HydrophobicContact CD2-CB 4.4Å; L160-F186 HydrophobicContact CD1-CB 3.66Å; L160-F186 HydrophobicContact CD1-CD1 3.67Å; L160-F186 HydrophobicContact CD1-CE1 4.5Å; L160-F186 HydrophobicContact CD1-CG 3.67Å; L160-F229 HydrophobicContact CD1-CE2 4.47Å; L160-F229 HydrophobicContact CG-CE2 4.32Å
161A96.1Very high91.6Very high36 Ų3636.6 Ų36.630%0.29821%0.21SC..Hα-helixtrans-63.6-46.5175.600000112V157 V158 T159 R164 I165V157-A161 PolarHBondContact O-N 3.05Å; V158-A161 WeakPolarHBondContact O-CB 3.42Å; V158-A161 PolarHBondContact O-N 3.37Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.18Å; A161-R164 PolarHBondContact O-N 3.31Å; A161-I165 WeakPolarHBondContact O-CG1 3.47Å; A161-I165 PolarHBondContact O-N 2.83Å; A161-I165 VanDerWaalsContact O-N 3.16Å
162V94.9Very high91Very high0 Ų039.7 Ų39.70%023%0.228CC..Hα-helixtrans-60.8-46.7175.3172.30000110.5H95 Y108 L111 V158 T159 R164 I165 I166H95-V162 HydrophobicContact CB-CG1 4.29Å; Y108-V162 HydrophobicContact CE2-CG1 4.03Å; L111-V162 HydrophobicContact CB-CG2 3.67Å; V158-V162 HydrophobicContact CG1-CG2 4.46Å; V158-V162 WeakPolarHBondContact O-CG2 3.36Å; V158-V162 PolarHBondContact O-N 2.85Å; T159-V162 PolarHBondContact O-N 3.35Å; V162-R164 VanDerWaalsContact C-N 3.33Å; V162-R164 PolarHBondContact O-N 2.86Å; V162-I165 PolarHBondContact O-N 3.44Å; V162-I166 HydrophobicContact CG1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CG1 4.45Å; V162-I166 WeakPolarHBondContact O-CG1 3.23Å; V162-I166 PolarHBondContact O-N 3.45Å
163H94.8Very high90.5Very high0 Ų045.4 Ų45.40%027%0.265CS..Hα-helixtrans-65.9-33.9179.3-78.2-161.4000112.5H95 T159 L160 I165 I166 G167 F175 F179 K182 D236H95-H163 AromaticContact NE2-CD2 3.52Å; H95-H163 AromaticContact NE2-NE2 3.29Å; H95-H163 PolarHBondContact NE2-NE2 2.88Å; T159-H163 VanDerWaalsContact O-CB 3.3Å; T159-H163 WeakPolarHBondContact O-CB 3.46Å; T159-H163 PolarHBondContact O-N 3.46Å; L160-H163 PolarHBondContact O-N 3.31Å; H163-I165 VanDerWaalsContact C-N 3.34Å; H163-I165 PolarHBondContact O-N 3.28Å; H163-I166 PolarHBondContact O-N 3.36Å; H163-G167 PolarHBondContact O-N 2.95Å; H163-F175 HydrophobicContact CB-CE1 4.46Å; H163-F175 HydrophobicContact CB-CZ 3.73Å; H163-F175 AromaticContact CG-CZ 3.99Å; H163-F175 VanDerWaalsContact O-CE1 3.23Å; H163-F175 WeakPolarHBondContact O-CE1 3.34Å; H163-F175 WeakPolarHBondContact O-CZ 3.14Å; H163-F179 HydrophobicContact CB-CD2 3.92Å; H163-F179 HydrophobicContact CB-CE2 4.31Å; H163-K182 VanDerWaalsContact CE1-CE 3.41Å; H163-K182 WeakPolarHBondContact CE1-CE 3.39Å; H163-D236 IonicContact CE1-OD2 2.9Å; H163-D236 PolarHBondContact CE1-OD2 2.76Å
164R93.4Very high90Very high180 Ų18047.9 Ų47.968%0.67927%0.271SS*.Hα-helixtrans-62.5-42.8172.6-172177.5-175.9-174.11.6111.5L160 A161 V162 G167 I168 F179L160-R164 VanDerWaalsContact O-CB 3.32Å; L160-R164 WeakPolarHBondContact O-CB 3.31Å; L160-R164 PolarHBondContact O-N 3.45Å; A161-R164 PolarHBondContact O-N 3.31Å; V162-R164 VanDerWaalsContact C-N 3.33Å; V162-R164 PolarHBondContact O-N 2.86Å; R164-G167 PolarHBondContact O-N 2.83Å; R164-I168 WeakPolarHBondContact O-CG1 3.44Å; R164-I168 PolarHBondContact O-N 3.38Å; R164-F179 HydrophobicContact CB-CE2 4.21Å; R164-F179 HydrophobicContact CB-CZ 4.44Å
165I91.3Very high89.5Confident44 Ų4447.3 Ų47.323%0.22627%0.265CS..Hα-helixtrans-64.4-45.9177.1-63.8165.1000110.7F102 Y108 L111 A161 V162 H163F102-I165 HydrophobicContact CD1-CG2 4.14Å; F102-I165 HydrophobicContact CD2-CG2 4.4Å; F102-I165 HydrophobicContact CE1-CG2 3.71Å; F102-I165 HydrophobicContact CE2-CG2 4Å; F102-I165 HydrophobicContact CG-CG2 4.46Å; F102-I165 HydrophobicContact CZ-CG2 3.63Å; F102-I165 WeakPolarHBondContact CZ-O 3.48Å; Y108-I165 HydrophobicContact CD2-CB 4.41Å; Y108-I165 HydrophobicContact CD2-CD1 4.23Å; Y108-I165 HydrophobicContact CD2-CG2 3.91Å; Y108-I165 HydrophobicContact CE2-CG2 4.25Å; L111-I165 HydrophobicContact CD1-CD1 3.86Å; A161-I165 WeakPolarHBondContact O-CG1 3.47Å; A161-I165 PolarHBondContact O-N 2.83Å; A161-I165 VanDerWaalsContact O-N 3.16Å; V162-I165 PolarHBondContact O-N 3.44Å; H163-I165 VanDerWaalsContact C-N 3.34Å; H163-I165 PolarHBondContact O-N 3.28Å
166I90.1Very high89.2Confident0 Ų048.6 Ų48.60%028%0.279CS..Hα-helixtrans-63.5-43176.7-65.1169.5000110.7Y98 Y108 V162 H163 I168 T169 S170 F175Y98-I166 HydrophobicContact CD1-CG2 4.23Å; Y98-I166 HydrophobicContact CD2-CD1 3.95Å; Y98-I166 HydrophobicContact CD2-CG1 4.29Å; Y98-I166 HydrophobicContact CD2-CG2 4.36Å; Y98-I166 HydrophobicContact CE1-CG2 3.94Å; Y98-I166 HydrophobicContact CE2-CD1 4.35Å; Y98-I166 HydrophobicContact CE2-CG2 4.12Å; Y98-I166 HydrophobicContact CG-CD1 4.41Å; Y98-I166 HydrophobicContact CG-CG1 4.27Å; Y98-I166 HydrophobicContact CG-CG2 4.41Å; Y108-I166 HydrophobicContact CE2-CG1 4.22Å; V162-I166 HydrophobicContact CG1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CG1 4.45Å; V162-I166 WeakPolarHBondContact O-CG1 3.23Å; V162-I166 PolarHBondContact O-N 3.45Å; H163-I166 PolarHBondContact O-N 3.36Å; I166-I168 VanDerWaalsContact C-N 3.27Å; I166-I168 PolarHBondContact O-N 3.3Å; I166-T169 PolarHBondContact O-N 2.89Å; I166-T169 PolarHBondContact O-OG1 3.47Å; I166-S170 PolarHBondContact O-N 3.01Å; I166-F175 HydrophobicContact CB-CE2 4.45Å; I166-F175 HydrophobicContact CB-CZ 4.07Å; I166-F175 HydrophobicContact CG2-CE2 3.96Å; I166-F175 HydrophobicContact CG2-CZ 4.01Å
167G85.5Confident89Confident22 Ų2254.4 Ų54.423%0.22730%0.302CS..Hα-helixtrans-62.6-28.7-177.200000114.4H163 R164 T169H163-G167 PolarHBondContact O-N 2.95Å; R164-G167 PolarHBondContact O-N 2.83Å; G167-T169 PolarHBondContact O-N 3.15Å; G167-T169 VanDerWaalsContact O-N 3.12Å
168I73.2Confident88.8Confident130 Ų13051.1 Ų51.167%0.66728%0.282SS*.THydrogen-bonded Turntrans-57.2-26.2171.6-69164.2000111.4R164 I166R164-I168 WeakPolarHBondContact O-CG1 3.44Å; R164-I168 PolarHBondContact O-N 3.38Å; I166-I168 VanDerWaalsContact C-N 3.27Å; I166-I168 PolarHBondContact O-N 3.3Å
169T73.7Confident88.7Confident59 Ų5952.5 Ų52.536%0.36229%0.287SS..THydrogen-bonded Turntrans-108.9-36.3-178.163.10000113.2M101 F102 I166 G167 C171M101-T169 HydrophobicContact CE-CG2 3.65Å; M101-T169 WeakPolarHBondContact CE-OG1 3.44Å; M101-T169 HydrophobicContact SD-CG2 3.96Å; F102-T169 HydrophobicContact CE1-CG2 4.24Å; F102-T169 HydrophobicContact CZ-CG2 3.8Å; I166-T169 PolarHBondContact O-N 2.89Å; I166-T169 PolarHBondContact O-OG1 3.47Å; G167-T169 PolarHBondContact O-N 3.15Å; G167-T169 VanDerWaalsContact O-N 3.12Å; T169-C171 PolarHBondContact O-N 3.05Å
170S73.7Confident88.7Confident23 Ų2357.4 Ų57.416%0.16131%0.313CS..  trans-9777.4-176.7-620000109.6Y98 I166 T172Y98-S170 WeakPolarHBondContact CE1-OG 3.41Å; I166-S170 PolarHBondContact O-N 3.01Å; S170-T172 PolarHBondContact O-N 3.3Å
171C74Confident88.7Confident113 Ų11358.2 Ų58.276%0.76432%0.317SS*.  trans-75.142.6-178.9-61.60000113.6T169T169-C171 PolarHBondContact O-N 3.05Å
172T85.5Confident88.8Confident69 Ų6956.5 Ų56.542%0.42330%0.303SS..  trans-86.4137.1178.370.20000110.5S170 R174 F175 G176S170-T172 PolarHBondContact O-N 3.3Å; T172-R174 PolarHBondContact O-N 3.27Å; T172-F175 PolarHBondContact O-N 3.01Å; T172-F175 VanDerWaalsContact O-N 3.11Å; T172-F175 WeakPolarHBondContact OG1-CB 3.44Å; T172-F175 PolarHBondContact OG1-N 3.22Å; T172-G176 PolarHBondContact O-N 2.95Å; T172-G176 VanDerWaalsContact O-N 3.17Å
173P87.8Confident89Confident120 Ų12060.5 Ų60.578%0.77932%0.324SS*.Hα-helixtrans-56-36.8178.3-27.534.7000113.3G176 Y177P173-G176 PolarHBondContact O-N 3.49Å; P173-Y177 PolarHBondContact O-N 3.38Å
174R88.1Confident89.1Confident80 Ų8065.7 Ų65.730%0.30235%0.351SS..Hα-helixtrans-61.2-46.4176.7-177.2-178.276.7-1663.1112.4T172 G176 Y177 S178 Y235 Q238 D239T172-R174 PolarHBondContact O-N 3.27Å; R174-G176 VanDerWaalsContact C-N 3.32Å; R174-G176 PolarHBondContact O-N 3.15Å; R174-Y177 PolarHBondContact O-N 2.91Å; R174-S178 WeakPolarHBondContact O-CB 3.46Å; R174-S178 PolarHBondContact O-N 3.43Å; R174-Y235 VanDerWaalsContact CD-O 3.23Å; R174-Y235 WeakPolarHBondContact CD-O 3.23Å; R174-Y235 PolarHBondContact NE-O 3.49Å; R174-Q238 VanDerWaalsContact CD-CD 3.41Å; R174-Q238 VanDerWaalsContact CD-NE2 3.3Å; R174-Q238 VanDerWaalsContact NH1-CG 3.33Å; R174-D239 IonicContact CZ-OD2 2.75Å; R174-D239 IonicContact NH1-OD1 3.76Å; R174-D239 IonicContact NH1-OD2 2.84Å; R174-D239 PolarHBondContact NH1-OD2 2.85Å; R174-D239 IonicContact NH2-OD2 3.71Å
175F89.1Confident89.4Confident13 Ų1359.2 Ų59.26%0.05733%0.328CS..Hα-helixtrans-61.7-43.9178.5-173.7-88.4000110.8H163 I166 T172 Y177 S178 F179H163-F175 HydrophobicContact CB-CE1 4.46Å; H163-F175 HydrophobicContact CB-CZ 3.73Å; H163-F175 AromaticContact CG-CZ 3.99Å; H163-F175 VanDerWaalsContact O-CE1 3.23Å; H163-F175 WeakPolarHBondContact O-CE1 3.34Å; H163-F175 WeakPolarHBondContact O-CZ 3.14Å; I166-F175 HydrophobicContact CB-CE2 4.45Å; I166-F175 HydrophobicContact CB-CZ 4.07Å; I166-F175 HydrophobicContact CG2-CE2 3.96Å; I166-F175 HydrophobicContact CG2-CZ 4.01Å; T172-F175 PolarHBondContact O-N 3.01Å; T172-F175 VanDerWaalsContact O-N 3.11Å; T172-F175 WeakPolarHBondContact OG1-CB 3.44Å; T172-F175 PolarHBondContact OG1-N 3.22Å; F175-Y177 PolarHBondContact O-N 2.91Å; F175-S178 PolarHBondContact O-N 3.29Å; F175-F179 VanDerWaalsContact O-CB 3.28Å; F175-F179 WeakPolarHBondContact O-CB 3.37Å; F175-F179 PolarHBondContact O-N 3.47Å
176G91.9Very high89.7Confident31 Ų3159.2 Ų59.232%0.3233%0.327SS..Hα-helixtrans-59.2-43.4174.500000113.1T172 P173 R174 F179 N180T172-G176 PolarHBondContact O-N 2.95Å; T172-G176 VanDerWaalsContact O-N 3.17Å; P173-G176 PolarHBondContact O-N 3.49Å; R174-G176 VanDerWaalsContact C-N 3.32Å; R174-G176 PolarHBondContact O-N 3.15Å; G176-F179 PolarHBondContact O-N 2.89Å; G176-N180 VanDerWaalsContact O-CG 3.25Å; G176-N180 PolarHBondContact O-N 3.38Å; G176-N180 PolarHBondContact O-ND2 3.02Å
177Y93.9Very high90.1Very high121 Ų12160.7 Ų60.748%0.47534%0.342SS..Hα-helixtrans-62.9-49.1176.7-178.6-103.8000112.4P173 R174 F175 F179 N180 L181 Y235P173-Y177 PolarHBondContact O-N 3.38Å; R174-Y177 PolarHBondContact O-N 2.91Å; F175-Y177 PolarHBondContact O-N 2.91Å; Y177-F179 VanDerWaalsContact C-N 3.33Å; Y177-F179 PolarHBondContact O-N 3.48Å; Y177-N180 PolarHBondContact O-N 3.48Å; Y177-L181 HydrophobicContact CD1-CD1 4.02Å; Y177-L181 HydrophobicContact CE1-CD1 3.39Å; Y177-L181 HydrophobicContact CE1-CG 4.16Å; Y177-L181 PolarHBondContact O-N 3.28Å; Y177-Y235 HydrophobicContact CD1-CD1 4.47Å; Y177-Y235 HydrophobicContact CE1-CD1 4.37Å; Y177-Y235 HydrophobicContact CE1-CE1 4.06Å; Y177-Y235 HydrophobicContact CE1-CE2 4.28Å
178S95.2Very high90.8Very high1 Ų163.2 Ų63.21%0.00735%0.35CS..Hα-helixtrans-60.6-41.7177179.60000112.2R174 F175 L181 K182 D236R174-S178 WeakPolarHBondContact O-CB 3.46Å; R174-S178 PolarHBondContact O-N 3.43Å; F175-S178 PolarHBondContact O-N 3.29Å; S178-L181 PolarHBondContact O-N 3.09Å; S178-K182 WeakPolarHBondContact O-CG 3.25Å; S178-K182 PolarHBondContact O-N 3.47Å; S178-K182 PolarHBondContact OG-NZ 2.67Å; S178-D236 WeakPolarHBondContact CB-OD1 3.38Å; S178-D236 PolarHBondContact OG-OD1 3.39Å
179F96Very high92Very high46 Ų4657 Ų5720%0.20232%0.318CS..Hα-helixtrans-60.5-45.1175.6-179.7-95.2000112L160 H163 R164 F175 G176 Y177 L181 K182 L183L160-F179 HydrophobicContact CD2-CD2 4.04Å; L160-F179 HydrophobicContact CD2-CE2 3.79Å; L160-F179 HydrophobicContact CD2-CZ 4.34Å; H163-F179 HydrophobicContact CB-CD2 3.92Å; H163-F179 HydrophobicContact CB-CE2 4.31Å; R164-F179 HydrophobicContact CB-CE2 4.21Å; R164-F179 HydrophobicContact CB-CZ 4.44Å; F175-F179 VanDerWaalsContact O-CB 3.28Å; F175-F179 WeakPolarHBondContact O-CB 3.37Å; F175-F179 PolarHBondContact O-N 3.47Å; G176-F179 PolarHBondContact O-N 2.89Å; Y177-F179 VanDerWaalsContact C-N 3.33Å; Y177-F179 PolarHBondContact O-N 3.48Å; F179-L181 PolarHBondContact O-N 3.49Å; F179-K182 PolarHBondContact O-N 3.27Å; F179-L183 WeakPolarHBondContact O-CB 3.32Å; F179-L183 PolarHBondContact O-N 2.89Å
180N96.7Very high93.1Very high102 Ų10256.5 Ų56.555%0.54531%0.314SS..Hα-helixtrans-64.1-40178.1-71.7-24.3000112.2G176 Y177 L183 L184G176-N180 VanDerWaalsContact O-CG 3.25Å; G176-N180 PolarHBondContact O-N 3.38Å; G176-N180 PolarHBondContact O-ND2 3.02Å; Y177-N180 PolarHBondContact O-N 3.48Å; N180-L183 PolarHBondContact O-N 3.32Å; N180-L184 WeakPolarHBondContact O-CB 3.36Å; N180-L184 PolarHBondContact O-N 3.18Å
181L97.9Very high94.3Very high33 Ų3359.3 Ų59.317%0.17333%0.333CS..Hα-helixtrans-64-44.1173.8-73.6-179.7000112Y177 S178 F179 L183 L184 F185 T232 Y235Y177-L181 HydrophobicContact CD1-CD1 4.02Å; Y177-L181 HydrophobicContact CE1-CD1 3.39Å; Y177-L181 HydrophobicContact CE1-CG 4.16Å; Y177-L181 PolarHBondContact O-N 3.28Å; S178-L181 PolarHBondContact O-N 3.09Å; F179-L181 PolarHBondContact O-N 3.49Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 PolarHBondContact O-N 3.03Å; L181-L184 WeakPolarHBondContact O-CB 3.39Å; L181-L184 PolarHBondContact O-N 3.39Å; L181-F185 HydrophobicContact CB-CE2 4.43Å; L181-F185 WeakPolarHBondContact O-CD2 3.39Å; L181-F185 PolarHBondContact O-N 2.95Å; L181-T232 HydrophobicContact CB-CG2 3.68Å; L181-T232 HydrophobicContact CD1-CG2 4.35Å; L181-Y235 HydrophobicContact CD1-CD2 4.34Å; L181-Y235 HydrophobicContact CD1-CE2 4.1Å
182K98.4Very high95.5Very high0 Ų055.4 Ų55.40%030%0.304CS..Hα-helixtrans-58.9-42.5174.7-76.3-179.1176.3650111.6T159 L160 H163 S178 F179 F185 F186 F229 T232 D236T159-K182 HydrophobicContact CG2-CD 4.44Å; L160-K182 HydrophobicContact CD2-CB 3.66Å; L160-K182 HydrophobicContact CG-CB 4.5Å; H163-K182 VanDerWaalsContact CE1-CE 3.41Å; H163-K182 WeakPolarHBondContact CE1-CE 3.39Å; S178-K182 WeakPolarHBondContact O-CG 3.25Å; S178-K182 PolarHBondContact O-N 3.47Å; S178-K182 PolarHBondContact OG-NZ 2.67Å; F179-K182 PolarHBondContact O-N 3.27Å; K182-F185 PolarHBondContact O-N 3.1Å; K182-F186 VanDerWaalsContact O-CB 3.28Å; K182-F186 WeakPolarHBondContact O-CB 3.33Å; K182-F186 PolarHBondContact O-N 3.26Å; K182-F229 HydrophobicContact CB-CD2 3.99Å; K182-F229 HydrophobicContact CB-CE2 3.52Å; K182-F229 HydrophobicContact CB-CZ 4.04Å; K182-F229 HydrophobicContact CD-CE1 4.38Å; K182-F229 HydrophobicContact CD-CE2 4.28Å; K182-F229 HydrophobicContact CD-CZ 3.94Å; K182-F229 HydrophobicContact CG-CD2 4.13Å; K182-F229 HydrophobicContact CG-CE1 4.39Å; K182-F229 HydrophobicContact CG-CE2 3.8Å; K182-F229 HydrophobicContact CG-CZ 3.92Å; K182-F229 WeakPolarHBondContact O-CD2 3.31Å; K182-F229 WeakPolarHBondContact O-CE2 3.33Å; K182-T232 VanDerWaalsContact CE-OG1 3.24Å; K182-T232 WeakPolarHBondContact CE-OG1 3.49Å; K182-T232 HydrophobicContact CG-CG2 4.01Å; K182-T232 WeakPolarHBondContact CG-OG1 3.2Å; K182-T232 PolarHBondContact NZ-OG1 3.27Å; K182-D236 IonicContact NZ-OD1 2.65Å; K182-D236 IonicContact NZ-OD2 3.86Å; K182-D236 PolarHBondContact NZ-OD2 3.45Å
183L98.1Very high96.1Very high83 Ų8353.6 Ų53.644%0.43529%0.292SS..Hα-helixtrans-64.8-41.1177.9-173.564.9000111.6L160 F179 N180 L181 F186 G187L160-L183 HydrophobicContact CD1-CD1 4.2Å; L160-L183 HydrophobicContact CD2-CB 4.4Å; F179-L183 WeakPolarHBondContact O-CB 3.32Å; F179-L183 PolarHBondContact O-N 2.89Å; N180-L183 PolarHBondContact O-N 3.32Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 PolarHBondContact O-N 3.03Å; L183-F186 HydrophobicContact CD1-CD1 4.43Å; L183-G187 PolarHBondContact O-N 3.08Å
184L98.4Very high96.6Very high110 Ų11053.6 Ų53.658%0.57629%0.285SS*.Hα-helixtrans-59.2-52.1174.3174.366.1000111.4N180 L181 F186 G187 L188N180-L184 WeakPolarHBondContact O-CB 3.36Å; N180-L184 PolarHBondContact O-N 3.18Å; L181-L184 WeakPolarHBondContact O-CB 3.39Å; L181-L184 PolarHBondContact O-N 3.39Å; L184-F186 PolarHBondContact O-N 3.44Å; L184-G187 PolarHBondContact O-N 3.2Å; L184-L188 WeakPolarHBondContact O-CB 3.19Å; L184-L188 PolarHBondContact O-N 3.41Å
185F98.5Very high97.1Very high43 Ų4352.9 Ų52.919%0.18929%0.287CS..Hα-helixtrans-66.5-37.3-179-72-58.3000112.6L181 K182 L188 D189 G228 F229 T232L181-F185 HydrophobicContact CB-CE2 4.43Å; L181-F185 WeakPolarHBondContact O-CD2 3.39Å; L181-F185 PolarHBondContact O-N 2.95Å; K182-F185 PolarHBondContact O-N 3.1Å; F185-L188 PolarHBondContact O-N 3.3Å; F185-D189 VanDerWaalsContact O-CB 3.31Å; F185-D189 WeakPolarHBondContact O-CB 3.34Å; F185-D189 PolarHBondContact O-N 3.48Å; F185-G228 WeakPolarHBondContact CD2-O 3.5Å; F185-G228 VanDerWaalsContact CE2-C 3.41Å; F185-G228 WeakPolarHBondContact CE2-O 3.5Å; F185-F229 HydrophobicContact CB-CB 3.97Å; F185-F229 HydrophobicContact CB-CD2 4.26Å; F185-T232 HydrophobicContact CD2-CG2 4.35Å; F185-T232 HydrophobicContact CE2-CG2 4.42Å
186F98.6Very high97.5Very high45 Ų4552.6 Ų52.620%0.19729%0.286CS..Hα-helixtrans-62.5-45.6172.1168.3-111000112.3T153 M156 V157 L160 K182 L183 L184 L188 D189 V190 F229T153-F186 HydrophobicContact CG2-CE2 4.01Å; M156-F186 HydrophobicContact CB-CB 4.37Å; M156-F186 HydrophobicContact CB-CD2 3.76Å; M156-F186 HydrophobicContact CB-CG 4.41Å; M156-F186 HydrophobicContact SD-CB 4.35Å; M156-F186 HydrophobicContact SD-CD2 4.27Å; V157-F186 HydrophobicContact CG2-CD2 4.24Å; V157-F186 HydrophobicContact CG2-CE2 3.32Å; V157-F186 HydrophobicContact CG2-CZ 3.49Å; V157-F186 VanDerWaalsContact CG2-CZ 3.49Å; L160-F186 HydrophobicContact CD1-CB 3.66Å; L160-F186 HydrophobicContact CD1-CD1 3.67Å; L160-F186 HydrophobicContact CD1-CE1 4.5Å; L160-F186 HydrophobicContact CD1-CG 3.67Å; K182-F186 VanDerWaalsContact O-CB 3.28Å; K182-F186 WeakPolarHBondContact O-CB 3.33Å; K182-F186 PolarHBondContact O-N 3.26Å; L183-F186 HydrophobicContact CD1-CD1 4.43Å; L184-F186 PolarHBondContact O-N 3.44Å; F186-L188 VanDerWaalsContact C-N 3.31Å; F186-L188 PolarHBondContact O-N 3.33Å; F186-D189 WeakPolarHBondContact O-CB 3.5Å; F186-D189 PolarHBondContact O-N 3.14Å; F186-V190 HydrophobicContact CD2-CG2 4.02Å; F186-V190 HydrophobicContact CE1-CG2 4.45Å; F186-V190 HydrophobicContact CE2-CG2 3.44Å; F186-V190 VanDerWaalsContact CE2-CG2 3.44Å; F186-V190 HydrophobicContact CZ-CG2 3.69Å; F186-V190 WeakPolarHBondContact O-CG2 3.35Å; F186-V190 PolarHBondContact O-N 2.91Å; F186-F229 HydrophobicContact CB-CE2 4.43Å
187G98.5Very high97.8Very high31 Ų3155.4 Ų55.432%0.3230%0.296SS..Hα-helixtrans-61.7-40.9176.700000112.2L183 L184 C191L183-G187 PolarHBondContact O-N 3.08Å; L184-G187 PolarHBondContact O-N 3.2Å; G187-C191 WeakPolarHBondContact O-CB 3.33Å; G187-C191 PolarHBondContact O-N 3.22Å; G187-C191 VanDerWaalsContact O-N 3.14Å; G187-C191 PolarHBondContact O-SG 3.47Å
188L98.5Very high98Very high75 Ų7554.5 Ų54.539%0.39330%0.296SS..Hα-helixtrans-63.2-46.6174.9-17763.7000111.7L184 F185 F186 C191 L192 A225L184-L188 WeakPolarHBondContact O-CB 3.19Å; L184-L188 PolarHBondContact O-N 3.41Å; F185-L188 PolarHBondContact O-N 3.3Å; F186-L188 VanDerWaalsContact C-N 3.31Å; F186-L188 PolarHBondContact O-N 3.33Å; L188-C191 PolarHBondContact O-N 2.94Å; L188-L192 HydrophobicContact CD1-CD1 3.83Å; L188-L192 HydrophobicContact CD1-CG 4.19Å; L188-L192 HydrophobicContact CD2-CD1 4.47Å; L188-L192 HydrophobicContact CG-CD1 3.71Å; L188-L192 HydrophobicContact CG-CG 4.45Å; L188-L192 WeakPolarHBondContact O-CB 3.34Å; L188-L192 WeakPolarHBondContact O-CD1 3.49Å; L188-L192 VanDerWaalsContact O-CG 3.23Å; L188-L192 WeakPolarHBondContact O-CG 2.97Å; L188-L192 PolarHBondContact O-N 2.88Å; L188-A225 HydrophobicContact CB-CB 4.33Å; L188-A225 HydrophobicContact CD2-CB 3.97Å; L188-A225 HydrophobicContact CG-CB 4.11Å
189D98.5Very high98.1Very high0 Ų055.5 Ų55.50%030%0.301CS..Hα-helixtrans-55.1-53.2177.5-175.873.4000111.5T153 M156 F185 F186 C191 L192 I193 A225T153-D189 PolarHBondContact OG1-OD2 3.03Å; M156-D189 HydrophobicContact CE-CB 4.34Å; M156-D189 HydrophobicContact SD-CB 4.01Å; F185-D189 VanDerWaalsContact O-CB 3.31Å; F185-D189 WeakPolarHBondContact O-CB 3.34Å; F185-D189 PolarHBondContact O-N 3.48Å; F186-D189 WeakPolarHBondContact O-CB 3.5Å; F186-D189 PolarHBondContact O-N 3.14Å; D189-C191 PolarHBondContact O-N 3.47Å; D189-L192 PolarHBondContact O-N 3.43Å; D189-I193 WeakPolarHBondContact O-CG1 3.41Å; D189-I193 PolarHBondContact O-N 3.33Å; D189-I193 WeakPolarHBondContact OD2-CD1 3.43Å; D189-A225 HydrophobicContact CB-CB 4.17Å
190V98.6Very high98Very high47 Ų4756.7 Ų56.729%0.28531%0.306SS..Hα-helixtrans-60.6-45.8179.9172.40000111.8T153 F186 L192 I193 L194T153-V190 HydrophobicContact CG2-CG2 4.13Å; F186-V190 HydrophobicContact CD2-CG2 4.02Å; F186-V190 HydrophobicContact CE1-CG2 4.45Å; F186-V190 HydrophobicContact CE2-CG2 3.44Å; F186-V190 VanDerWaalsContact CE2-CG2 3.44Å; F186-V190 HydrophobicContact CZ-CG2 3.69Å; F186-V190 WeakPolarHBondContact O-CG2 3.35Å; F186-V190 PolarHBondContact O-N 2.91Å; V190-L192 VanDerWaalsContact C-N 3.3Å; V190-L192 PolarHBondContact O-N 3.35Å; V190-I193 PolarHBondContact O-N 2.93Å; V190-L194 HydrophobicContact CG1-CD1 4.36Å; V190-L194 WeakPolarHBondContact O-CG 3.38Å; V190-L194 PolarHBondContact O-N 3.45Å
191C98.6Very high98Very high83 Ų8358 Ų5856%0.56130%0.304SS*.Hα-helixtrans-59.7-41.8177.8-74.70000111.9G187 L188 D189 L194 L195G187-C191 WeakPolarHBondContact O-CB 3.33Å; G187-C191 PolarHBondContact O-N 3.22Å; G187-C191 VanDerWaalsContact O-N 3.14Å; G187-C191 PolarHBondContact O-SG 3.47Å; L188-C191 PolarHBondContact O-N 2.94Å; D189-C191 PolarHBondContact O-N 3.47Å; C191-L194 PolarHBondContact O-N 2.9Å; C191-L195 PolarHBondContact O-N 3.5Å; C191-L195 VanDerWaalsContact O-N 3.11Å
192L98.7Very high97.8Very high30 Ų3057.2 Ų57.216%0.15730%0.3CS..Hα-helixtrans-74.1-33.4-179.9-67.9167.3000112.6L188 D189 V190 L195 L196 I222L188-L192 HydrophobicContact CD1-CD1 3.83Å; L188-L192 HydrophobicContact CD1-CG 4.19Å; L188-L192 HydrophobicContact CD2-CD1 4.47Å; L188-L192 HydrophobicContact CG-CD1 3.71Å; L188-L192 HydrophobicContact CG-CG 4.45Å; L188-L192 WeakPolarHBondContact O-CB 3.34Å; L188-L192 WeakPolarHBondContact O-CD1 3.49Å; L188-L192 VanDerWaalsContact O-CG 3.23Å; L188-L192 WeakPolarHBondContact O-CG 2.97Å; L188-L192 PolarHBondContact O-N 2.88Å; D189-L192 PolarHBondContact O-N 3.43Å; V190-L192 VanDerWaalsContact C-N 3.3Å; V190-L192 PolarHBondContact O-N 3.35Å; L192-L195 PolarHBondContact O-N 3.44Å; L192-L196 VanDerWaalsContact O-CB 3.28Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 PolarHBondContact O-N 3.41Å; L192-I222 HydrophobicContact CB-CD1 4.24Å; L192-I222 HydrophobicContact CB-CG1 3.57Å; L192-I222 HydrophobicContact CD1-CG1 4.47Å
193I98.5Very high97.6Very high31 Ų3158.3 Ų58.316%0.15931%0.305CS..Hα-helixtrans-63-43.7172.3-72.2170.4000110.5L149 T153 D189 V190 L195 L196 V197 I222L149-I193 HydrophobicContact CD2-CD1 4.44Å; L149-I193 HydrophobicContact CD2-CG1 4.37Å; T153-I193 WeakPolarHBondContact OG1-CD1 3.28Å; D189-I193 WeakPolarHBondContact O-CG1 3.41Å; D189-I193 PolarHBondContact O-N 3.33Å; D189-I193 WeakPolarHBondContact OD2-CD1 3.43Å; V190-I193 PolarHBondContact O-N 2.93Å; I193-L195 VanDerWaalsContact C-N 3.32Å; I193-L195 PolarHBondContact O-N 2.91Å; I193-L196 WeakPolarHBondContact O-CB 3.49Å; I193-L196 PolarHBondContact O-N 3.29Å; I193-V197 WeakPolarHBondContact O-CG2 3.3Å; I193-V197 PolarHBondContact O-N 2.93Å; I193-I222 HydrophobicContact CB-CD1 4.49Å; I193-I222 HydrophobicContact CG1-CD1 3.69Å; I193-I222 HydrophobicContact CG1-CG1 4.08Å
194L98.3Very high97.3Very high121 Ų12161 Ų6163%0.63431%0.31SS*.Hα-helixtrans-61.4-42.1176-68173.6000111.6V190 C191 H198V190-L194 HydrophobicContact CG1-CD1 4.36Å; V190-L194 WeakPolarHBondContact O-CG 3.38Å; V190-L194 PolarHBondContact O-N 3.45Å; C191-L194 PolarHBondContact O-N 2.9Å; L194-H198 WeakPolarHBondContact O-CB 3.4Å; L194-H198 PolarHBondContact O-N 2.99Å
195L98.2Very high97.1Very high64 Ų6462.3 Ų62.334%0.33531%0.311SS..Hα-helixtrans-63.8-44.6174.2-177.660.9000111.4C191 L192 I193 V197 H198 Q199 S218C191-L195 PolarHBondContact O-N 3.5Å; C191-L195 VanDerWaalsContact O-N 3.11Å; L192-L195 PolarHBondContact O-N 3.44Å; I193-L195 VanDerWaalsContact C-N 3.32Å; I193-L195 PolarHBondContact O-N 2.91Å; L195-V197 PolarHBondContact O-N 2.95Å; L195-H198 WeakPolarHBondContact O-CB 3.34Å; L195-H198 PolarHBondContact O-N 2.83Å; L195-Q199 HydrophobicContact CD1-CG 4.01Å; L195-Q199 HydrophobicContact CG-CG 4.29Å; L195-Q199 VanDerWaalsContact O-CG 3.28Å; L195-Q199 WeakPolarHBondContact O-CG 3.1Å; L195-Q199 PolarHBondContact O-N 2.95Å; L195-S218 VanDerWaalsContact CD2-OG 3.31Å; L195-S218 WeakPolarHBondContact CD2-OG 3.43Å; L195-S218 WeakPolarHBondContact CG-OG 3.46Å
196L98.2Very high96.8Very high8 Ų863.8 Ų63.84%0.04232%0.324CS..Hα-helixtrans-57.3-48.1178-178152000110.9F145 L192 I193 H198 Q199 F200 F215 E219 I222F145-L196 HydrophobicContact CE1-CD1 4.34Å; F145-L196 HydrophobicContact CZ-CD1 4.12Å; L192-L196 VanDerWaalsContact O-CB 3.28Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 PolarHBondContact O-N 3.41Å; I193-L196 WeakPolarHBondContact O-CB 3.49Å; I193-L196 PolarHBondContact O-N 3.29Å; L196-H198 PolarHBondContact O-N 3.34Å; L196-Q199 PolarHBondContact O-N 3.31Å; L196-F200 VanDerWaalsContact O-CB 3.3Å; L196-F200 WeakPolarHBondContact O-CB 3.46Å; L196-F200 PolarHBondContact O-N 3.4Å; L196-F215 HydrophobicContact CD1-CD2 4.48Å; L196-F215 HydrophobicContact CD1-CE2 4.11Å; L196-F215 HydrophobicContact CD1-CZ 4.4Å; L196-F215 HydrophobicContact CD2-CD2 4.02Å; L196-F215 HydrophobicContact CD2-CE2 3.5Å; L196-F215 VanDerWaalsContact CD2-CE2 3.5Å; L196-F215 HydrophobicContact CD2-CZ 4.35Å; L196-F215 HydrophobicContact CG-CD2 3.71Å; L196-F215 HydrophobicContact CG-CE2 3.57Å; L196-F215 HydrophobicContact CG-CZ 4.34Å; L196-E219 HydrophobicContact CD1-CB 4.25Å; L196-I222 HydrophobicContact CB-CD1 4.13Å; L196-I222 HydrophobicContact CD1-CD1 3.52Å; L196-I222 HydrophobicContact CG-CD1 4.45Å
197V97.6Very high96.5Very high89 Ų8964.2 Ų64.254%0.53933%0.332SS..Hα-helixtrans-62.3-43.5177.6172.40000111.3I193 L195 Q199 F200 Y201I193-V197 WeakPolarHBondContact O-CG2 3.3Å; I193-V197 PolarHBondContact O-N 2.93Å; L195-V197 PolarHBondContact O-N 2.95Å; V197-Q199 PolarHBondContact O-N 3.42Å; V197-F200 PolarHBondContact O-N 2.93Å; V197-Y201 PolarHBondContact O-N 2.81Å
198H97.4Very high96.2Very high102 Ų10268.6 Ų68.647%0.47234%0.342SS..Hα-helixtrans-61-44.2176.617971.9000112.1L194 L195 L196 Y201 N202L194-H198 WeakPolarHBondContact O-CB 3.4Å; L194-H198 PolarHBondContact O-N 2.99Å; L195-H198 WeakPolarHBondContact O-CB 3.34Å; L195-H198 PolarHBondContact O-N 2.83Å; L196-H198 PolarHBondContact O-N 3.34Å; H198-Y201 PolarHBondContact O-N 3.23Å; H198-N202 PolarHBondContact CD2-ND2 3.04Å; H198-N202 PolarHBondContact NE2-ND2 2.93Å; H198-N202 PolarHBondContact O-N 3.37Å; H198-N202 VanDerWaalsContact O-N 3.08Å; H198-N202 PolarHBondContact O-ND2 3.12Å
199Q97.1Very high95.9Very high22 Ų2267.8 Ų67.810%0.10335%0.346CS..Hα-helixtrans-73.6-32.5179.5-61.7-60.2-5.300112.6L195 L196 V197 Y201 N202 H203 W214 F215L195-Q199 HydrophobicContact CD1-CG 4.01Å; L195-Q199 HydrophobicContact CG-CG 4.29Å; L195-Q199 VanDerWaalsContact O-CG 3.28Å; L195-Q199 WeakPolarHBondContact O-CG 3.1Å; L195-Q199 PolarHBondContact O-N 2.95Å; L196-Q199 PolarHBondContact O-N 3.31Å; V197-Q199 PolarHBondContact O-N 3.42Å; Q199-Y201 VanDerWaalsContact C-N 3.34Å; Q199-N202 PolarHBondContact O-N 3.29Å; Q199-N202 PolarHBondContact OE1-ND2 2.57Å; Q199-H203 VanDerWaalsContact O-CB 3.22Å; Q199-H203 WeakPolarHBondContact O-CB 3.37Å; Q199-H203 PolarHBondContact O-N 2.72Å; Q199-W214 HydrophobicContact CB-CB 4.36Å; Q199-W214 HydrophobicContact CG-CB 3.66Å; Q199-F215 HydrophobicContact CB-CB 3.96Å
200F94.7Very high95.7Very high71 Ų7170.1 Ų70.131%0.31136%0.359SS..Hα-helixtrans-60.2-45.2171.4-176.8-101.1000111.1L196 V197 H203 R204 F215L196-F200 VanDerWaalsContact O-CB 3.3Å; L196-F200 WeakPolarHBondContact O-CB 3.46Å; L196-F200 PolarHBondContact O-N 3.4Å; V197-F200 PolarHBondContact O-N 2.93Å; F200-H203 PolarHBondContact O-N 3.28Å; F200-R204 WeakPolarHBondContact O-CB 3.01Å; F200-R204 PolarHBondContact O-N 3.31Å; F200-F215 HydrophobicContact CB-CD2 3.82Å; F200-F215 HydrophobicContact CB-CE2 3.98Å; F200-F215 HydrophobicContact CD2-CD2 4.16Å; F200-F215 AromaticContact CD2-CE2 3.75Å; F200-F215 HydrophobicContact CD2-CE2 3.75Å; F200-F215 HydrophobicContact CD2-CZ 4.44Å; F200-F215 HydrophobicContact CG-CE2 4.29Å
201Y96Very high95.5Very high130 Ų13068 Ų6851%0.5135%0.345SS..Hα-helixtrans-59.7-49.4174.1177.4-89.3000111.7V197 H198 Q199 H203 R204 F205 T206V197-Y201 PolarHBondContact O-N 2.81Å; H198-Y201 PolarHBondContact O-N 3.23Å; Q199-Y201 VanDerWaalsContact C-N 3.34Å; Y201-H203 VanDerWaalsContact C-N 3.29Å; Y201-H203 PolarHBondContact O-N 3.23Å; Y201-R204 PolarHBondContact O-N 3.34Å; Y201-F205 AromaticContact CD2-CD2 3.4Å; Y201-F205 HydrophobicContact CD2-CD2 3.4Å; Y201-F205 VanDerWaalsContact CD2-CD2 3.4Å; Y201-F205 AromaticContact CD2-CE2 3.93Å; Y201-F205 HydrophobicContact CD2-CE2 3.93Å; Y201-F205 HydrophobicContact CD2-CG 4.23Å; Y201-F205 HydrophobicContact CE2-CB 4.2Å; Y201-F205 AromaticContact CE2-CD2 3.66Å; Y201-F205 HydrophobicContact CE2-CD2 3.66Å; Y201-F205 HydrophobicContact CE2-CE2 4.3Å; Y201-F205 HydrophobicContact CE2-CG 4.06Å; Y201-F205 HydrophobicContact CG-CD2 4.05Å; Y201-F205 WeakPolarHBondContact O-CB 3.11Å; Y201-F205 PolarHBondContact O-N 3.33Å; Y201-T206 HydrophobicContact CE1-CG2 4.16Å
202N95.3Very high95.4Very high17 Ų1765 Ų659%0.09132%0.323CS..Iπ-helixtrans-61.1-40179.1-70.6-32.5000111.8H198 Q199 T206 C207 K208 A211H198-N202 PolarHBondContact CD2-ND2 3.04Å; H198-N202 PolarHBondContact NE2-ND2 2.93Å; H198-N202 PolarHBondContact O-N 3.37Å; H198-N202 VanDerWaalsContact O-N 3.08Å; H198-N202 PolarHBondContact O-ND2 3.12Å; Q199-N202 PolarHBondContact O-N 3.29Å; Q199-N202 PolarHBondContact OE1-ND2 2.57Å; N202-T206 VanDerWaalsContact CA-OG1 3.24Å; N202-T206 WeakPolarHBondContact CA-OG1 3.24Å; N202-T206 CarbonylContact O-C 3.55Å; N202-T206 PolarHBondContact O-N 3.28Å; N202-T206 PolarHBondContact O-OG1 3.05Å; N202-C207 PolarHBondContact O-N 2.84Å; N202-K208 HydrophobicContact CB-CB 4.37Å; N202-K208 PolarHBondContact O-N 3.04Å; N202-A211 HydrophobicContact CB-CB 3.94Å
203H92.6Very high95.3Very high22 Ų2263.6 Ų63.610%0.10232%0.316CS..Iπ-helixtrans-64.6-48.8177.2174.944000111.2C51 Q199 F200 Y201 A211 F212C51-H203 PolarHBondContact SG-O 3.48Å; Q199-H203 VanDerWaalsContact O-CB 3.22Å; Q199-H203 WeakPolarHBondContact O-CB 3.37Å; Q199-H203 PolarHBondContact O-N 2.72Å; F200-H203 PolarHBondContact O-N 3.28Å; Y201-H203 VanDerWaalsContact C-N 3.29Å; Y201-H203 PolarHBondContact O-N 3.23Å; H203-A211 HydrophobicContact CB-CB 4.01Å; H203-F212 AromaticContact NE2-CD2 3.99Å
204R92.3Very high95.2Very high140 Ų14068.3 Ų68.353%0.52833%0.332SS..Iπ-helixtrans-78.2-38.7-172.3-174.657.5175.2177.50114.1F200 Y201F200-R204 WeakPolarHBondContact O-CB 3.01Å; F200-R204 PolarHBondContact O-N 3.31Å; Y201-R204 PolarHBondContact O-N 3.34Å
205F93.9Very high95.2Very high138 Ų13863.8 Ų63.861%0.60531%0.307SS*.Iπ-helixtrans-108.3-30.6-169.5-63.3-76.3000113.8Y201Y201-F205 AromaticContact CD2-CD2 3.4Å; Y201-F205 HydrophobicContact CD2-CD2 3.4Å; Y201-F205 VanDerWaalsContact CD2-CD2 3.4Å; Y201-F205 AromaticContact CD2-CE2 3.93Å; Y201-F205 HydrophobicContact CD2-CE2 3.93Å; Y201-F205 HydrophobicContact CD2-CG 4.23Å; Y201-F205 HydrophobicContact CE2-CB 4.2Å; Y201-F205 AromaticContact CE2-CD2 3.66Å; Y201-F205 HydrophobicContact CE2-CD2 3.66Å; Y201-F205 HydrophobicContact CE2-CE2 4.3Å; Y201-F205 HydrophobicContact CE2-CG 4.06Å; Y201-F205 HydrophobicContact CG-CD2 4.05Å; Y201-F205 WeakPolarHBondContact O-CB 3.11Å; Y201-F205 PolarHBondContact O-N 3.33Å
206T92.4Very high95.1Very high74 Ų7460.7 Ų60.745%0.45429%0.291SS..Iπ-helixtrans-104.4-11.6-179.470.80000113.4Y201 N202 K208Y201-T206 HydrophobicContact CE1-CG2 4.16Å; N202-T206 VanDerWaalsContact CA-OG1 3.24Å; N202-T206 WeakPolarHBondContact CA-OG1 3.24Å; N202-T206 CarbonylContact O-C 3.55Å; N202-T206 PolarHBondContact O-N 3.28Å; N202-T206 PolarHBondContact O-OG1 3.05Å; T206-K208 PolarHBondContact O-N 2.83Å; T206-K208 VanDerWaalsContact O-N 3.09Å
207C92.4Very high95.1Very high54 Ų5462.1 Ų62.137%0.36530%0.304SS..  trans46.537-173-72.90000113C51 N202 A209C51-C207 HydrophobicContact CB-CB 3.55Å; C51-C207 WeakPolarHBondContact CB-SG 3.48Å; C51-C207 WeakPolarHBondContact SG-CA 3.42Å; C51-C207 WeakPolarHBondContact SG-CB 3.43Å; C51-C207 CovalentContact SG-SG 2.05Å; C51-C207 PolarHBondContact SG-SG 3.34Å; N202-C207 PolarHBondContact O-N 2.84Å; C207-A209 PolarHBondContact O-N 3.11Å
208K92.6Very high95.1Very high123 Ų12358 Ų5854%0.53528%0.279SS..  trans-63.5135.2-179-178178.4-179.1179.30110N202 T206 N210 A211N202-K208 HydrophobicContact CB-CB 4.37Å; N202-K208 PolarHBondContact O-N 3.04Å; T206-K208 PolarHBondContact O-N 2.83Å; T206-K208 VanDerWaalsContact O-N 3.09Å; K208-N210 PolarHBondContact O-N 3.38Å; K208-A211 HydrophobicContact CB-CB 4.15Å; K208-A211 WeakPolarHBondContact O-CB 3.41Å; K208-A211 PolarHBondContact O-N 2.93Å; K208-A211 VanDerWaalsContact O-N 3.09Å
209A92.5Very high95.2Very high58 Ų5853.7 Ų53.748%0.47926%0.259SS..THydrogen-bonded Turntrans-53.7138.8177.100000111.4C207 A211C207-A209 PolarHBondContact O-N 3.11Å; A209-A211 PolarHBondContact O-N 3.3Å
210N93.9Very high95.2Very high49 Ų4954 Ų5426%0.26226%0.259SS..THydrogen-bonded Turntrans60.73.7-177-50.7-53.3000116.3S54 N55 F56 K208 F212 S213 W214S54-N210 PolarHBondContact O-N 3.44Å; S54-N210 VanDerWaalsContact O-N 3.12Å; S54-N210 PolarHBondContact O-OD1 2.95Å; S54-N210 VanDerWaalsContact O-OD1 3.1Å; N55-N210 WeakPolarHBondContact OD1-CA 3.33Å; F56-N210 HydrophobicContact CD1-CB 4.14Å; F56-N210 WeakPolarHBondContact CD1-OD1 3.33Å; F56-N210 HydrophobicContact CE1-CB 3.69Å; K208-N210 PolarHBondContact O-N 3.38Å; N210-F212 PolarHBondContact O-N 2.86Å; N210-S213 WeakPolarHBondContact O-CB 3.24Å; N210-S213 PolarHBondContact O-N 2.87Å; N210-W214 VanDerWaalsContact O-CD1 3.23Å; N210-W214 PolarHBondContact O-N 2.87Å
211A95.3Very high95.4Very high1 Ų151.4 Ų51.41%0.00825%0.252CS..Hα-helixtrans-60.5-37.3-179.400000111.7N202 H203 K208 A209 S213 W214 F215N202-A211 HydrophobicContact CB-CB 3.94Å; H203-A211 HydrophobicContact CB-CB 4.01Å; K208-A211 HydrophobicContact CB-CB 4.15Å; K208-A211 WeakPolarHBondContact O-CB 3.41Å; K208-A211 PolarHBondContact O-N 2.93Å; K208-A211 VanDerWaalsContact O-N 3.09Å; A209-A211 PolarHBondContact O-N 3.3Å; A211-S213 VanDerWaalsContact C-N 3.34Å; A211-S213 PolarHBondContact O-N 3.1Å; A211-W214 PolarHBondContact O-N 3.4Å; A211-F215 WeakPolarHBondContact O-CB 3.31Å; A211-F215 PolarHBondContact O-N 3.33Å
212F95.3Very high95.5Very high22 Ų2245.4 Ų45.410%0.09623%0.229CC..Hα-helixtrans-63.5-39.3173176.6-105000111.8N55 H203 N210 W214 F215 S216N55-F212 HydrophobicContact CB-CD1 4.3Å; N55-F212 WeakPolarHBondContact OD1-CB 3.3Å; H203-F212 AromaticContact NE2-CD2 3.99Å; N210-F212 PolarHBondContact O-N 2.86Å; F212-W214 PolarHBondContact O-N 2.96Å; F212-F215 HydrophobicContact CD2-CD1 4.48Å; F212-F215 WeakPolarHBondContact O-CB 3.34Å; F212-F215 PolarHBondContact O-N 2.84Å; F212-S216 WeakPolarHBondContact O-CB 3.19Å; F212-S216 PolarHBondContact O-N 3.16Å; F212-S216 PolarHBondContact O-OG 3.41Å
213S96.6Very high95.6Very high0 Ų045.4 Ų45.40%023%0.232CC..Hα-helixtrans-64.6-38.8175.9-57.80000113.1N55 F56 V57 N210 A211 S216 A217N55-S213 VanDerWaalsContact CA-OG 3.25Å; N55-S213 WeakPolarHBondContact CA-OG 3.26Å; N55-S213 VanDerWaalsContact CB-OG 3.26Å; N55-S213 WeakPolarHBondContact CB-OG 3.45Å; N55-S213 PolarHBondContact OD1-OG 3.14Å; F56-S213 PolarHBondContact N-OG 2.91Å; V57-S213 PolarHBondContact N-OG 3.49Å; V57-S213 VanDerWaalsContact N-OG 3.12Å; V57-S213 WeakPolarHBondContact O-CA 3.47Å; N210-S213 WeakPolarHBondContact O-CB 3.24Å; N210-S213 PolarHBondContact O-N 2.87Å; A211-S213 VanDerWaalsContact C-N 3.34Å; A211-S213 PolarHBondContact O-N 3.1Å; S213-S216 PolarHBondContact O-N 3.33Å; S213-A217 WeakPolarHBondContact O-CB 3.18Å; S213-A217 PolarHBondContact O-N 3.3Å
214W97.4Very high95.9Very high130 Ų13048.8 Ų48.849%0.49225%0.25SC..Hα-helixtrans-71.3-33.7175.4-71.1112.7000112.7F56 Q199 N210 A211 F212 S218F56-W214 HydrophobicContact CZ-CZ2 4.32Å; Q199-W214 HydrophobicContact CB-CB 4.36Å; Q199-W214 HydrophobicContact CG-CB 3.66Å; N210-W214 VanDerWaalsContact O-CD1 3.23Å; N210-W214 PolarHBondContact O-N 2.87Å; A211-W214 PolarHBondContact O-N 3.4Å; F212-W214 PolarHBondContact O-N 2.96Å; W214-S218 WeakPolarHBondContact O-CB 3.48Å; W214-S218 PolarHBondContact O-N 3.13Å; W214-S218 VanDerWaalsContact O-N 3.09Å; W214-S218 PolarHBondContact O-OG 2.71Å
215F97.1Very high96.2Very high25 Ų2542.1 Ų42.111%0.1122%0.224CC..Hα-helixtrans-58.2-53167.7169.3-86.4000110.3L196 Q199 F200 A211 F212 A217 S218 E219L196-F215 HydrophobicContact CD1-CD2 4.48Å; L196-F215 HydrophobicContact CD1-CE2 4.11Å; L196-F215 HydrophobicContact CD1-CZ 4.4Å; L196-F215 HydrophobicContact CD2-CD2 4.02Å; L196-F215 HydrophobicContact CD2-CE2 3.5Å; L196-F215 VanDerWaalsContact CD2-CE2 3.5Å; L196-F215 HydrophobicContact CD2-CZ 4.35Å; L196-F215 HydrophobicContact CG-CD2 3.71Å; L196-F215 HydrophobicContact CG-CE2 3.57Å; L196-F215 HydrophobicContact CG-CZ 4.34Å; Q199-F215 HydrophobicContact CB-CB 3.96Å; F200-F215 HydrophobicContact CB-CD2 3.82Å; F200-F215 HydrophobicContact CB-CE2 3.98Å; F200-F215 HydrophobicContact CD2-CD2 4.16Å; F200-F215 AromaticContact CD2-CE2 3.75Å; F200-F215 HydrophobicContact CD2-CE2 3.75Å; F200-F215 HydrophobicContact CD2-CZ 4.44Å; F200-F215 HydrophobicContact CG-CE2 4.29Å; A211-F215 WeakPolarHBondContact O-CB 3.31Å; A211-F215 PolarHBondContact O-N 3.33Å; F212-F215 HydrophobicContact CD2-CD1 4.48Å; F212-F215 WeakPolarHBondContact O-CB 3.34Å; F212-F215 PolarHBondContact O-N 2.84Å; F215-A217 PolarHBondContact O-N 2.93Å; F215-S218 WeakPolarHBondContact O-CB 3.24Å; F215-S218 PolarHBondContact O-N 3.19Å; F215-S218 VanDerWaalsContact O-N 3.11Å; F215-E219 PolarHBondContact O-N 3.49Å
216S97.3Very high96.4Very high0 Ų036.3 Ų36.30%020%0.2CC..Hα-helixtrans-60.3-43.7179.2-58.10000112.6V57 P58 S59 F212 S213 S218 E219 Y220V57-S216 WeakPolarHBondContact O-CB 3.1Å; V57-S216 PolarHBondContact O-OG 3.24Å; P58-S216 WeakPolarHBondContact O-CB 3.14Å; S59-S216 VanDerWaalsContact CA-OG 3.23Å; S59-S216 WeakPolarHBondContact CA-OG 3.24Å; S59-S216 WeakPolarHBondContact CB-OG 3.41Å; S59-S216 PolarHBondContact N-OG 2.93Å; S59-S216 VanDerWaalsContact N-OG 3.08Å; F212-S216 WeakPolarHBondContact O-CB 3.19Å; F212-S216 PolarHBondContact O-N 3.16Å; F212-S216 PolarHBondContact O-OG 3.41Å; S213-S216 PolarHBondContact O-N 3.33Å; S216-S218 VanDerWaalsContact C-N 3.26Å; S216-S218 PolarHBondContact O-N 2.81Å; S216-E219 VanDerWaalsContact O-CB 3.31Å; S216-E219 WeakPolarHBondContact O-CB 3.2Å; S216-E219 PolarHBondContact O-N 3.43Å; S216-E219 VanDerWaalsContact O-N 3.14Å; S216-Y220 WeakPolarHBondContact O-CD2 3.4Å; S216-Y220 PolarHBondContact O-N 3.43Å
217A97.7Very high96.6Very high38 Ų3834 Ų3431%0.31418%0.184SC..Hα-helixtrans-60.9-37.3176.200000112S213 F215 G221S213-A217 WeakPolarHBondContact O-CB 3.18Å; S213-A217 PolarHBondContact O-N 3.3Å; F215-A217 PolarHBondContact O-N 2.93Å; A217-G221 PolarHBondContact O-N 3.35Å
218S98.3Very high96.9Very high2 Ų231.8 Ų31.81%0.01417%0.17CC..Hα-helixtrans-67.1-40.8175-52.80000111.3L195 W214 F215 S216 G221 I222L195-S218 VanDerWaalsContact CD2-OG 3.31Å; L195-S218 WeakPolarHBondContact CD2-OG 3.43Å; L195-S218 WeakPolarHBondContact CG-OG 3.46Å; W214-S218 WeakPolarHBondContact O-CB 3.48Å; W214-S218 PolarHBondContact O-N 3.13Å; W214-S218 VanDerWaalsContact O-N 3.09Å; W214-S218 PolarHBondContact O-OG 2.71Å; F215-S218 WeakPolarHBondContact O-CB 3.24Å; F215-S218 PolarHBondContact O-N 3.19Å; F215-S218 VanDerWaalsContact O-N 3.11Å; S216-S218 VanDerWaalsContact C-N 3.26Å; S216-S218 PolarHBondContact O-N 2.81Å; S218-G221 PolarHBondContact O-N 2.9Å; S218-I222 VanDerWaalsContact O-CG1 3.28Å; S218-I222 WeakPolarHBondContact O-CG1 3.44Å; S218-I222 PolarHBondContact O-N 3.26Å
219E98Very high97.1Very high12 Ų1226 Ų266%0.05615%0.145CC..Hα-helixtrans-58.4-47.2174.8-168.6-170.7-171.700112S59 I60 F145 L196 F215 S216 G221 I222 A223S59-E219 WeakPolarHBondContact CB-OE2 3.39Å; I60-E219 HydrophobicContact CB-CG 4.38Å; I60-E219 WeakPolarHBondContact CB-OE1 3.44Å; I60-E219 HydrophobicContact CD1-CG 3.85Å; I60-E219 HydrophobicContact CG1-CG 4.01Å; I60-E219 PolarHBondContact N-OE2 2.98Å; F145-E219 HydrophobicContact CE2-CG 4.22Å; F145-E219 HydrophobicContact CZ-CG 4.05Å; L196-E219 HydrophobicContact CD1-CB 4.25Å; F215-E219 PolarHBondContact O-N 3.49Å; S216-E219 VanDerWaalsContact O-CB 3.31Å; S216-E219 WeakPolarHBondContact O-CB 3.2Å; S216-E219 PolarHBondContact O-N 3.43Å; S216-E219 VanDerWaalsContact O-N 3.14Å; E219-G221 VanDerWaalsContact C-N 3.33Å; E219-G221 PolarHBondContact O-N 3.13Å; E219-I222 PolarHBondContact O-N 3.28Å; E219-A223 PolarHBondContact O-N 2.64Å
220Y98.2Very high97.3Very high28 Ų2823.4 Ų23.411%0.1112%0.123CC..Hα-helixtrans-58.9-44172.9-78-71.4000112.5L31 L35 V57 P58 I60 V63 S216 I222 A223 I224L31-Y220 HydrophobicContact CD1-CE1 3.92Å; L31-Y220 HydrophobicContact CD2-CD1 3.98Å; L31-Y220 HydrophobicContact CD2-CE1 3.99Å; L31-Y220 HydrophobicContact CG-CD1 4.45Å; L31-Y220 HydrophobicContact CG-CE1 3.99Å; L35-Y220 WeakPolarHBondContact CD1-OH 3.32Å; L35-Y220 HydrophobicContact CD2-CE1 4.15Å; V57-Y220 HydrophobicContact CG1-CD2 4.17Å; V57-Y220 HydrophobicContact CG1-CE2 3.93Å; P58-Y220 VanDerWaalsContact O-CE2 3.28Å; P58-Y220 WeakPolarHBondContact O-CE2 3.4Å; I60-Y220 HydrophobicContact CD1-CD1 4.01Å; I60-Y220 HydrophobicContact CD1-CE1 4.22Å; I60-Y220 HydrophobicContact CD1-CG 4.45Å; I60-Y220 HydrophobicContact CG1-CD1 3.78Å; I60-Y220 HydrophobicContact CG1-CD2 4.44Å; I60-Y220 HydrophobicContact CG1-CE1 3.55Å; I60-Y220 HydrophobicContact CG1-CE2 4.24Å; I60-Y220 HydrophobicContact CG1-CG 4.19Å; V63-Y220 WeakPolarHBondContact CG2-OH 3.45Å; S216-Y220 WeakPolarHBondContact O-CD2 3.4Å; S216-Y220 PolarHBondContact O-N 3.43Å; Y220-I222 VanDerWaalsContact C-N 3.35Å; Y220-I222 PolarHBondContact O-N 2.98Å; Y220-A223 PolarHBondContact O-N 2.76Å; Y220-I224 WeakPolarHBondContact O-CG1 3.35Å; Y220-I224 PolarHBondContact O-N 2.82Å
221G98.3Very high97.5Very high16 Ų1624 Ų2417%0.16513%0.126CC..Hα-helixtrans-61.1-43.2177.100000112.3A217 S218 E219 I224 A225A217-G221 PolarHBondContact O-N 3.35Å; S218-G221 PolarHBondContact O-N 2.9Å; E219-G221 VanDerWaalsContact C-N 3.33Å; E219-G221 PolarHBondContact O-N 3.13Å; G221-I224 PolarHBondContact O-N 3.43Å; G221-A225 WeakPolarHBondContact O-CB 3.14Å; G221-A225 PolarHBondContact O-N 2.94Å
222I98.6Very high97.5Very high4 Ų424.1 Ų24.12%0.02113%0.126CC..Hα-helixtrans-61.7-45.9176.9-71.2161.6000109.7L149 L192 I193 L196 S218 E219 Y220 I224 A225 N226L149-I222 HydrophobicContact CD2-CD1 4.33Å; L149-I222 HydrophobicContact CD2-CG2 3.77Å; L192-I222 HydrophobicContact CB-CD1 4.24Å; L192-I222 HydrophobicContact CB-CG1 3.57Å; L192-I222 HydrophobicContact CD1-CG1 4.47Å; I193-I222 HydrophobicContact CB-CD1 4.49Å; I193-I222 HydrophobicContact CG1-CD1 3.69Å; I193-I222 HydrophobicContact CG1-CG1 4.08Å; L196-I222 HydrophobicContact CB-CD1 4.13Å; L196-I222 HydrophobicContact CD1-CD1 3.52Å; L196-I222 HydrophobicContact CG-CD1 4.45Å; S218-I222 VanDerWaalsContact O-CG1 3.28Å; S218-I222 WeakPolarHBondContact O-CG1 3.44Å; S218-I222 PolarHBondContact O-N 3.26Å; E219-I222 PolarHBondContact O-N 3.28Å; Y220-I222 VanDerWaalsContact C-N 3.35Å; Y220-I222 PolarHBondContact O-N 2.98Å; I222-I224 VanDerWaalsContact C-N 3.32Å; I222-I224 PolarHBondContact O-N 3.2Å; I222-A225 PolarHBondContact O-N 2.96Å; I222-N226 VanDerWaalsContact O-CB 3.32Å; I222-N226 WeakPolarHBondContact O-CB 3.38Å; I222-N226 PolarHBondContact O-N 3.4Å
223A97.9Very high97.5Very high18 Ų1823 Ų2315%0.14912%0.122CC..Hα-helixtrans-58.2-44.9176.600000111.5I60 E219 Y220 N226 M227I60-A223 HydrophobicContact CD1-CB 3.81Å; E219-A223 PolarHBondContact O-N 2.64Å; Y220-A223 PolarHBondContact O-N 2.76Å; A223-N226 PolarHBondContact O-N 3.04Å; A223-M227 WeakPolarHBondContact O-CB 3.47Å; A223-M227 WeakPolarHBondContact O-CG 3.18Å; A223-M227 PolarHBondContact O-N 2.87Å
224I97.6Very high97.4Very high93 Ų9323.6 Ų23.648%0.47713%0.127SC..Hα-helixtrans-65-42.2176.7-68166000111.3Y220 G221 I222 M227 G228Y220-I224 WeakPolarHBondContact O-CG1 3.35Å; Y220-I224 PolarHBondContact O-N 2.82Å; G221-I224 PolarHBondContact O-N 3.43Å; I222-I224 VanDerWaalsContact C-N 3.32Å; I222-I224 PolarHBondContact O-N 3.2Å; I224-M227 PolarHBondContact O-N 3.45Å; I224-G228 PolarHBondContact O-N 3.29Å
225A98.3Very high97.2Very high0 Ų022.1 Ų22.10%012%0.121CC..Hα-helixtrans-62.8-44.8177.600000111.5L188 D189 G221 I222 G228 F229L188-A225 HydrophobicContact CB-CB 4.33Å; L188-A225 HydrophobicContact CD2-CB 3.97Å; L188-A225 HydrophobicContact CG-CB 4.11Å; D189-A225 HydrophobicContact CB-CB 4.17Å; G221-A225 WeakPolarHBondContact O-CB 3.14Å; G221-A225 PolarHBondContact O-N 2.94Å; I222-A225 PolarHBondContact O-N 2.96Å; A225-G228 PolarHBondContact O-N 3.49Å; A225-F229 PolarHBondContact O-N 3.35Å
226N97.9Very high97Very high16 Ų1621.3 Ų21.39%0.08612%0.118CC..Hα-helixtrans-61.2-48.7175.5-175.4-70.5000111.6S152 M156 I222 A223 G228 F229 H230S152-N226 VanDerWaalsContact CB-ND2 3.28Å; S152-N226 WeakPolarHBondContact CB-ND2 3.36Å; M156-N226 HydrophobicContact CE-CB 4.1Å; I222-N226 VanDerWaalsContact O-CB 3.32Å; I222-N226 WeakPolarHBondContact O-CB 3.38Å; I222-N226 PolarHBondContact O-N 3.4Å; A223-N226 PolarHBondContact O-N 3.04Å; N226-G228 VanDerWaalsContact C-N 3.34Å; N226-G228 PolarHBondContact O-N 3.45Å; N226-F229 PolarHBondContact O-N 2.63Å; N226-H230 PolarHBondContact O-CD2 3.26Å; N226-H230 PolarHBondContact O-N 2.52Å; N226-H230 PolarHBondContact OD1-CD2 3.46Å; N226-H230 PolarHBondContact OD1-NE2 3.3Å
227M97.7Very high96.7Very high24 Ų2421.7 Ų21.712%0.11812%0.12CC..Hα-helixtrans-57.6-46174.4-74.3178-165.500111.7V24 L28 A223 I224 H230 L231V24-M227 HydrophobicContact CG1-CB 3.78Å; V24-M227 HydrophobicContact CG1-CG 4.07Å; V24-M227 HydrophobicContact CG1-SD 4.46Å; L28-M227 HydrophobicContact CB-SD 3.94Å; L28-M227 HydrophobicContact CD1-SD 4Å; A223-M227 WeakPolarHBondContact O-CB 3.47Å; A223-M227 WeakPolarHBondContact O-CG 3.18Å; A223-M227 PolarHBondContact O-N 2.87Å; I224-M227 PolarHBondContact O-N 3.45Å; M227-H230 PolarHBondContact O-N 2.83Å; M227-L231 WeakPolarHBondContact O-CB 3.4Å; M227-L231 PolarHBondContact O-N 2.67Å
228G97.8Very high96.4Very high8 Ų824.1 Ų24.18%0.08213%0.125CC..Hα-helixtrans-60.8-43.7177.500000112.6F185 I224 A225 N226 H230 L231 T232F185-G228 WeakPolarHBondContact CD2-O 3.5Å; F185-G228 VanDerWaalsContact CE2-C 3.41Å; F185-G228 WeakPolarHBondContact CE2-O 3.5Å; I224-G228 PolarHBondContact O-N 3.29Å; A225-G228 PolarHBondContact O-N 3.49Å; N226-G228 VanDerWaalsContact C-N 3.34Å; N226-G228 PolarHBondContact O-N 3.45Å; G228-H230 PolarHBondContact O-N 2.99Å; G228-L231 WeakPolarHBondContact O-CB 3.11Å; G228-L231 PolarHBondContact O-N 3.43Å; G228-T232 PolarHBondContact O-N 3.42Å
229F98.3Very high96Very high1 Ų130 Ų300%0.00416%0.156CC..Hα-helixtrans-58.9-47.7175.4-169.2-82.3000111Y155 M156 T159 L160 K182 F185 F186 A225 N226 T232Y155-F229 HydrophobicContact CD1-CE1 4.22Å; Y155-F229 HydrophobicContact CE1-CD1 4.02Å; Y155-F229 AromaticContact CE1-CE1 3.65Å; Y155-F229 HydrophobicContact CE1-CE1 3.65Å; M156-F229 HydrophobicContact CB-CD2 4.22Å; M156-F229 HydrophobicContact CB-CE1 4.44Å; M156-F229 HydrophobicContact CB-CE2 3.77Å; M156-F229 HydrophobicContact CB-CZ 3.91Å; M156-F229 HydrophobicContact CE-CB 3.88Å; M156-F229 HydrophobicContact CE-CD2 4.47Å; M156-F229 HydrophobicContact CE-CG 4.13Å; M156-F229 HydrophobicContact CG-CD1 3.94Å; M156-F229 HydrophobicContact CG-CD2 3.67Å; M156-F229 HydrophobicContact CG-CE1 3.99Å; M156-F229 HydrophobicContact CG-CE2 3.7Å; M156-F229 HydrophobicContact CG-CG 3.8Å; M156-F229 HydrophobicContact CG-CZ 3.88Å; M156-F229 HydrophobicContact SD-CB 4.44Å; M156-F229 HydrophobicContact SD-CD2 3.95Å; M156-F229 HydrophobicContact SD-CE2 4.43Å; M156-F229 HydrophobicContact SD-CG 4.18Å; T159-F229 HydrophobicContact CG2-CE1 4.22Å; T159-F229 HydrophobicContact CG2-CZ 4.11Å; L160-F229 HydrophobicContact CD1-CE2 4.47Å; L160-F229 HydrophobicContact CG-CE2 4.32Å; K182-F229 HydrophobicContact CB-CD2 3.99Å; K182-F229 HydrophobicContact CB-CE2 3.52Å; K182-F229 HydrophobicContact CB-CZ 4.04Å; K182-F229 HydrophobicContact CD-CE1 4.38Å; K182-F229 HydrophobicContact CD-CE2 4.28Å; K182-F229 HydrophobicContact CD-CZ 3.94Å; K182-F229 HydrophobicContact CG-CD2 4.13Å; K182-F229 HydrophobicContact CG-CE1 4.39Å; K182-F229 HydrophobicContact CG-CE2 3.8Å; K182-F229 HydrophobicContact CG-CZ 3.92Å; K182-F229 WeakPolarHBondContact O-CD2 3.31Å; K182-F229 WeakPolarHBondContact O-CE2 3.33Å; F185-F229 HydrophobicContact CB-CB 3.97Å; F185-F229 HydrophobicContact CB-CD2 4.26Å; F186-F229 HydrophobicContact CB-CE2 4.43Å; A225-F229 PolarHBondContact O-N 3.35Å; N226-F229 PolarHBondContact O-N 2.63Å; F229-T232 WeakPolarHBondContact O-CB 3.33Å; F229-T232 PolarHBondContact O-N 3Å; F229-T232 PolarHBondContact O-OG1 3.27Å
230H96.9Very high95.6Very high5 Ų532.2 Ų32.22%0.02317%0.171CC..Hα-helixtrans-70.3-31.3178.8-69-60000113.3R84 D122 Y155 N226 M227 G228 T232 A233R84-H230 VanDerWaalsContact CZ-ND1 3.29Å; R84-H230 PolarHBondContact NH1-CE1 3.35Å; R84-H230 VanDerWaalsContact NH1-CE1 3.3Å; R84-H230 PolarHBondContact NH1-ND1 3.13Å; R84-H230 PolarHBondContact NH2-CE1 2.87Å; R84-H230 PolarHBondContact NH2-ND1 3.48Å; R84-H230 PolarHBondContact NH2-NE2 3.3Å; R84-H230 VanDerWaalsContact NH2-NE2 3.13Å; D122-H230 IonicContact OD2-CE1 3.75Å; D122-H230 IonicContact OD2-NE2 3.65Å; D122-H230 PolarHBondContact OD2-NE2 2.74Å; Y155-H230 AromaticContact CD1-CE1 3.73Å; Y155-H230 AromaticContact CE1-CE1 3.25Å; Y155-H230 WeakPolarHBondContact CE1-CE1 3.43Å; Y155-H230 AromaticContact CE1-ND1 3.73Å; N226-H230 PolarHBondContact O-CD2 3.26Å; N226-H230 PolarHBondContact O-N 2.52Å; N226-H230 PolarHBondContact OD1-CD2 3.46Å; N226-H230 PolarHBondContact OD1-NE2 3.3Å; M227-H230 PolarHBondContact O-N 2.83Å; G228-H230 PolarHBondContact O-N 2.99Å; H230-T232 PolarHBondContact O-N 3.21Å; H230-A233 WeakPolarHBondContact O-CB 3.23Å; H230-A233 PolarHBondContact O-N 3.42Å
231L96.5Very high95.1Very high62 Ų6232.4 Ų32.433%0.32518%0.178SC..Hα-helixtrans-61-27.6176.2-169.665000112.1V20 V21 V24 M227 G228 A233 A234V20-L231 HydrophobicContact CG1-CD1 4.4Å; V21-L231 HydrophobicContact CB-CD1 4.39Å; V21-L231 HydrophobicContact CG2-CD1 3.84Å; V24-L231 HydrophobicContact CB-CD1 4.35Å; V24-L231 HydrophobicContact CG2-CD1 4.4Å; M227-L231 WeakPolarHBondContact O-CB 3.4Å; M227-L231 PolarHBondContact O-N 2.67Å; G228-L231 WeakPolarHBondContact O-CB 3.11Å; G228-L231 PolarHBondContact O-N 3.43Å; L231-A233 PolarHBondContact O-N 2.64Å; L231-A234 VanDerWaalsContact O-CB 3.24Å; L231-A234 WeakPolarHBondContact O-CB 3.15Å; L231-A234 PolarHBondContact O-N 3.35Å
232T96.6Very high94.6Very high2 Ų233.8 Ų33.81%0.01218%0.181CC..THydrogen-bonded Turntrans-59.5-18.2174.7670000113.6L181 K182 F185 G228 F229 H230 A234 Y235 D236L181-T232 HydrophobicContact CB-CG2 3.68Å; L181-T232 HydrophobicContact CD1-CG2 4.35Å; K182-T232 VanDerWaalsContact CE-OG1 3.24Å; K182-T232 WeakPolarHBondContact CE-OG1 3.49Å; K182-T232 HydrophobicContact CG-CG2 4.01Å; K182-T232 WeakPolarHBondContact CG-OG1 3.2Å; K182-T232 PolarHBondContact NZ-OG1 3.27Å; F185-T232 HydrophobicContact CD2-CG2 4.35Å; F185-T232 HydrophobicContact CE2-CG2 4.42Å; G228-T232 PolarHBondContact O-N 3.42Å; F229-T232 WeakPolarHBondContact O-CB 3.33Å; F229-T232 PolarHBondContact O-N 3Å; F229-T232 PolarHBondContact O-OG1 3.27Å; H230-T232 PolarHBondContact O-N 3.21Å; T232-A234 PolarHBondContact O-N 3.14Å; T232-Y235 WeakPolarHBondContact O-CB 3.36Å; T232-Y235 PolarHBondContact O-N 2.79Å; T232-D236 PolarHBondContact O-N 3.5Å; T232-D236 VanDerWaalsContact O-N 3.13Å
233A95.3Very high94.2Very high0 Ų036.7 Ų36.70%020%0.199CC..Hα-helixtrans-60-27.3171.200000113.1V20 L87 Y91 H230 L231 Y235 D236 F237V20-A233 HydrophobicContact CG1-CB 4.18Å; V20-A233 HydrophobicContact CG2-CB 4.19Å; L87-A233 HydrophobicContact CD1-CB 3.77Å; L87-A233 HydrophobicContact CD2-CB 3.88Å; L87-A233 HydrophobicContact CG-CB 4.45Å; Y91-A233 HydrophobicContact CE2-CB 3.83Å; Y91-A233 VanDerWaalsContact OH-CA 3.3Å; Y91-A233 WeakPolarHBondContact OH-CA 3.49Å; Y91-A233 WeakPolarHBondContact OH-CB 3.23Å; H230-A233 WeakPolarHBondContact O-CB 3.23Å; H230-A233 PolarHBondContact O-N 3.42Å; L231-A233 PolarHBondContact O-N 2.64Å; A233-Y235 PolarHBondContact O-N 2.92Å; A233-D236 PolarHBondContact O-N 3.12Å; A233-F237 HydrophobicContact CB-CD2 4.2Å; A233-F237 HydrophobicContact CB-CE2 4.42Å; A233-F237 WeakPolarHBondContact O-CD2 3.46Å; A233-F237 PolarHBondContact O-N 2.86Å
234A94.3Very high93.6Very high12 Ų1239.1 Ų39.110%0.09921%0.212CC..Hα-helixtrans-62.3-32.517300000111.9P17 V20 V21 L231 T232 Q238P17-A234 HydrophobicContact CB-CB 4Å; P17-A234 WeakPolarHBondContact CG-O 3.5Å; V20-A234 HydrophobicContact CB-CB 4.35Å; V20-A234 HydrophobicContact CG1-CB 4.32Å; V21-A234 HydrophobicContact CG2-CB 4.25Å; L231-A234 VanDerWaalsContact O-CB 3.24Å; L231-A234 WeakPolarHBondContact O-CB 3.15Å; L231-A234 PolarHBondContact O-N 3.35Å; T232-A234 PolarHBondContact O-N 3.14Å; A234-Q238 WeakPolarHBondContact O-CB 3.48Å; A234-Q238 PolarHBondContact O-N 3.17Å
235Y92.1Very high92.9Very high98 Ų9837 Ų3738%0.38420%0.204SC..Hα-helixtrans-80.5-40174.3-66.4-76.4000112.1R174 Y177 L181 T232 A233 F237R174-Y235 VanDerWaalsContact CD-O 3.23Å; R174-Y235 WeakPolarHBondContact CD-O 3.23Å; R174-Y235 PolarHBondContact NE-O 3.49Å; Y177-Y235 HydrophobicContact CD1-CD1 4.47Å; Y177-Y235 HydrophobicContact CE1-CD1 4.37Å; Y177-Y235 HydrophobicContact CE1-CE1 4.06Å; Y177-Y235 HydrophobicContact CE1-CE2 4.28Å; L181-Y235 HydrophobicContact CD1-CD2 4.34Å; L181-Y235 HydrophobicContact CD1-CE2 4.1Å; T232-Y235 WeakPolarHBondContact O-CB 3.36Å; T232-Y235 PolarHBondContact O-N 2.79Å; A233-Y235 PolarHBondContact O-N 2.92Å; Y235-F237 VanDerWaalsContact C-N 3.27Å; Y235-F237 PolarHBondContact O-N 3.27Å
236D92.9Very high92Very high9 Ų940.2 Ų40.25%0.04822%0.223CC..Hα-helixtrans-62-37.5-179.4-71-14.3000112.3Y91 H163 S178 K182 T232 A233Y91-D236 PolarHBondContact OH-OD2 3.01Å; H163-D236 IonicContact CE1-OD2 2.9Å; H163-D236 PolarHBondContact CE1-OD2 2.76Å; S178-D236 WeakPolarHBondContact CB-OD1 3.38Å; S178-D236 PolarHBondContact OG-OD1 3.39Å; K182-D236 IonicContact NZ-OD1 2.65Å; K182-D236 IonicContact NZ-OD2 3.86Å; K182-D236 PolarHBondContact NZ-OD2 3.45Å; T232-D236 PolarHBondContact O-N 3.5Å; T232-D236 VanDerWaalsContact O-N 3.13Å; A233-D236 PolarHBondContact O-N 3.12Å
237F92.6Very high91Very high7 Ų746.7 Ų46.73%0.03125%0.251CS..THydrogen-bonded Turntrans-114.329.1-173.2-58.6-60.6000112.9F16 L87 I90 Y91 Y94 A233 Y235 D239 V240F16-F237 HydrophobicContact CB-CB 4.43Å; F16-F237 HydrophobicContact CD1-CB 3.39Å; F16-F237 AromaticContact CD1-CD2 4Å; F16-F237 HydrophobicContact CD1-CD2 4Å; F16-F237 HydrophobicContact CD1-CG 4.03Å; F16-F237 HydrophobicContact CE1-CB 3.9Å; F16-F237 AromaticContact CE1-CD2 3.57Å; F16-F237 HydrophobicContact CE1-CD2 3.57Å; F16-F237 HydrophobicContact CE1-CE2 4.43Å; F16-F237 HydrophobicContact CE1-CG 4.02Å; F16-F237 HydrophobicContact CG-CB 4.11Å; F16-F237 HydrophobicContact CZ-CD2 4.45Å; L87-F237 HydrophobicContact CD1-CD2 4.2Å; L87-F237 HydrophobicContact CD1-CE2 3.92Å; I90-F237 HydrophobicContact CG2-CD1 4.25Å; I90-F237 HydrophobicContact CG2-CD2 4.44Å; I90-F237 HydrophobicContact CG2-CE1 3.87Å; I90-F237 HydrophobicContact CG2-CE2 4.06Å; I90-F237 HydrophobicContact CG2-CZ 3.76Å; Y91-F237 AromaticContact CD1-CE2 3.86Å; Y91-F237 HydrophobicContact CD1-CE2 3.86Å; Y91-F237 AromaticContact CD1-CZ 3.61Å; Y91-F237 HydrophobicContact CD1-CZ 3.61Å; Y91-F237 AromaticContact CD2-CE2 3.97Å; Y91-F237 HydrophobicContact CD2-CE2 3.97Å; Y91-F237 HydrophobicContact CD2-CZ 4.38Å; Y91-F237 AromaticContact CE1-CE2 3.6Å; Y91-F237 HydrophobicContact CE1-CE2 3.6Å; Y91-F237 AromaticContact CE1-CZ 3.68Å; Y91-F237 HydrophobicContact CE1-CZ 3.68Å; Y91-F237 AromaticContact CE2-CE2 3.75Å; Y91-F237 HydrophobicContact CE2-CE2 3.75Å; Y91-F237 HydrophobicContact CE2-CZ 4.46Å; Y91-F237 HydrophobicContact CG-CE2 4.05Å; Y91-F237 AromaticContact CG-CZ 3.99Å; Y91-F237 HydrophobicContact CG-CZ 3.99Å; Y91-F237 AromaticContact CZ-CE2 3.55Å; Y94-F237 HydrophobicContact CD1-CE1 4.23Å; Y94-F237 HydrophobicContact CD1-CZ 4.26Å; Y94-F237 AromaticContact CD2-CE1 3.86Å; Y94-F237 HydrophobicContact CD2-CE1 3.86Å; Y94-F237 AromaticContact CG-CE1 3.68Å; Y94-F237 HydrophobicContact CG-CE1 3.68Å; Y94-F237 HydrophobicContact CG-CZ 4.07Å; A233-F237 HydrophobicContact CB-CD2 4.2Å; A233-F237 HydrophobicContact CB-CE2 4.42Å; A233-F237 WeakPolarHBondContact O-CD2 3.46Å; A233-F237 PolarHBondContact O-N 2.86Å; Y235-F237 VanDerWaalsContact C-N 3.27Å; Y235-F237 PolarHBondContact O-N 3.27Å; F237-D239 PolarHBondContact O-N 3.25Å; F237-V240 HydrophobicContact CB-CB 4.05Å; F237-V240 HydrophobicContact CB-CG2 3.98Å; F237-V240 HydrophobicContact CD1-CG2 4.05Å; F237-V240 HydrophobicContact CG-CG2 4.49Å; F237-V240 WeakPolarHBondContact O-CB 3.38Å; F237-V240 PolarHBondContact O-N 3.01Å
238Q90.4Very high89.6Confident90 Ų9053.4 Ų53.442%0.42128%0.279SS..THydrogen-bonded Turntrans-61.5-29.8-175.882.4-173.34.400114.1P17 R174 A234 V240P17-Q238 HydrophobicContact CG-CB 4.14Å; R174-Q238 VanDerWaalsContact CD-CD 3.41Å; R174-Q238 VanDerWaalsContact CD-NE2 3.3Å; R174-Q238 VanDerWaalsContact NH1-CG 3.33Å; A234-Q238 WeakPolarHBondContact O-CB 3.48Å; A234-Q238 PolarHBondContact O-N 3.17Å; Q238-V240 VanDerWaalsContact C-N 3.31Å
239D88.9Confident88.1Confident124 Ų12458.1 Ų58.166%0.66331%0.308SS*.THydrogen-bonded Turntrans-93.710.7179-46.9-43.8000112R174 F237R174-D239 IonicContact CZ-OD2 2.75Å; R174-D239 IonicContact NH1-OD1 3.76Å; R174-D239 IonicContact NH1-OD2 2.84Å; R174-D239 PolarHBondContact NH1-OD2 2.85Å; R174-D239 IonicContact NH2-OD2 3.71Å; F237-D239 PolarHBondContact O-N 3.25Å
240V89.7Confident86.4Confident60 Ų6063.4 Ų63.436%0.36435%0.346SS..  trans-102.8141178.9-177.60000109F16 F237 Q238F16-V240 HydrophobicContact CB-CB 4.11Å; F16-V240 HydrophobicContact CB-CG1 4.32Å; F16-V240 WeakPolarHBondContact CB-O 3.35Å; F16-V240 PolarHBondContact N-O 3.23Å; F237-V240 HydrophobicContact CB-CB 4.05Å; F237-V240 HydrophobicContact CB-CG2 3.98Å; F237-V240 HydrophobicContact CD1-CG2 4.05Å; F237-V240 HydrophobicContact CG-CG2 4.49Å; F237-V240 WeakPolarHBondContact O-CB 3.38Å; F237-V240 PolarHBondContact O-N 3.01Å; Q238-V240 VanDerWaalsContact C-N 3.31Å
241A89.5Confident84.8Confident32 Ų3269 Ų6926%0.26438%0.38SS..EExtended strand (participates in β ladder)trans-127.5144.5172.700000110.5W13 L14W13-A241 HydrophobicContact CD2-CB 4.21Å; W13-A241 HydrophobicContact CG-CB 4.43Å; W13-A241 HydrophobicContact CZ2-CB 3.89Å; L14-A241 CarbonylContact O-C 3.52Å; L14-A241 VanDerWaalsContact O-CA 3.24Å; L14-A241 WeakPolarHBondContact O-CA 3.36Å; L14-A241 WeakPolarHBondContact O-CB 3.42Å
242L87.7Confident82.5Confident44 Ų4478.7 Ų78.723%0.2342%0.424CS..EExtended strand (participates in β ladder)trans-81.6122.9165.1-65.5170.1000107.5L14 F16 F19 L86 I90L14-L242 HydrophobicContact CB-CB 4.42Å; L14-L242 HydrophobicContact CD2-CD1 4.5Å; L14-L242 PolarHBondContact N-O 3.27Å; L14-L242 PolarHBondContact O-N 2.95Å; F16-L242 HydrophobicContact CD2-CD1 4.22Å; F16-L242 HydrophobicContact CD2-CD2 4.24Å; F16-L242 HydrophobicContact CD2-CG 3.98Å; F16-L242 HydrophobicContact CE2-CD1 4.46Å; F16-L242 HydrophobicContact CE2-CD2 4.41Å; F16-L242 HydrophobicContact CE2-CG 4.48Å; F19-L242 HydrophobicContact CB-CD1 4.29Å; F19-L242 HydrophobicContact CD1-CD1 4.05Å; F19-L242 HydrophobicContact CD2-CD1 4.01Å; F19-L242 HydrophobicContact CE1-CD1 4.32Å; F19-L242 HydrophobicContact CE2-CD1 4.29Å; F19-L242 HydrophobicContact CG-CD1 3.86Å; F19-L242 HydrophobicContact CZ-CD1 4.41Å; L86-L242 HydrophobicContact CD2-CD1 4.16Å; L86-L242 HydrophobicContact CD2-CD2 4.1Å; I90-L242 HydrophobicContact CD1-CD2 4.45Å
243T88.5Confident81.8Confident65 Ų6582.5 Ų82.540%0.39945%0.445SS..EExtended strand (participates in β ladder)trans-133.5144.6-179.3-169.50000112.2L12 V245L12-T243 WeakPolarHBondContact O-CA 3.49Å; L12-T243 WeakPolarHBondContact O-CB 2.94Å; L12-T243 PolarHBondContact O-OG1 3.11Å; T243-V245 HydrophobicContact CG2-CG1 4.37Å
244T85.1Confident81.1Confident70 Ų7086.8 Ų86.843%0.42947%0.468SS..EExtended strand (participates in β ladder)trans-105.9135.816858.50000109Q10 L11 L12Q10-T244 WeakPolarHBondContact CA-O 3.28Å; L11-T244 PolarHBondContact N-O 2.94Å; L11-T244 VanDerWaalsContact N-O 3.13Å; L12-T244 HydrophobicContact CB-CG2 4.26Å; L12-T244 WeakPolarHBondContact CB-OG1 3.45Å; L12-T244 HydrophobicContact CD2-CG2 4.48Å; L12-T244 PolarHBondContact N-OG1 2.65Å; L12-T244 PolarHBondContact O-N 3.3Å
245V84.1Confident80.4Confident49 Ų4991 Ų9130%0.29749%0.488SS..EExtended strand (participates in β ladder)trans-121.3129.1-177.4-64.10000109.1L8 Q10 T243 F247L8-V245 HydrophobicContact CD1-CB 4.28Å; L8-V245 HydrophobicContact CD2-CB 3.82Å; L8-V245 HydrophobicContact CD2-CG1 3.47Å; L8-V245 VanDerWaalsContact CD2-CG1 3.47Å; L8-V245 HydrophobicContact CD2-CG2 4.46Å; L8-V245 HydrophobicContact CG-CB 3.88Å; L8-V245 HydrophobicContact CG-CG1 4.05Å; Q10-V245 HydrophobicContact CG-CG1 4.46Å; T243-V245 HydrophobicContact CG2-CG1 4.37Å; V245-F247 HydrophobicContact CG2-CE1 4.42Å; V245-F247 HydrophobicContact CG2-CE2 3.87Å; V245-F247 HydrophobicContact CG2-CZ 3.72Å
246T79.9Confident79.7Confident66 Ų6690.6 Ų90.641%0.40550%0.495SS..EExtended strand (participates in β ladder)trans-87.2120.5172.4-64.30000109.4Y9 L11Y9-T246 PolarHBondContact O-N 2.83Å; L11-T246 WeakPolarHBondContact CD1-OG1 3.16Å
247F77Confident78.8Confident153 Ų15395.7 Ų95.767%0.67152%0.522SS*.PPolyproline II helixtrans-80123166.1-58-81000107.8L8 V245L8-F247 HydrophobicContact CD1-CD1 4.46Å; L8-F247 HydrophobicContact CD1-CE1 4.3Å; V245-F247 HydrophobicContact CG2-CE1 4.42Å; V245-F247 HydrophobicContact CG2-CE2 3.87Å; V245-F247 HydrophobicContact CG2-CZ 3.72Å
248K68.3Low77.9Confident164 Ų164101.6 Ų101.671%0.71356%0.555SS**PPolyproline II helixtrans-59128171.2-163.8176.7-175.1179.70107.4S250K248-S250 PolarHBondContact O-N 2.87Å
249P64.8Low77Confident107 Ų107102.4 Ų102.470%0.69557%0.565SS**PPolyproline II helixtrans-56.7137.8175.921-29.8000108.7T251P249-T251 PolarHBondContact O-N 3.36Å
250S62.7Low76.1Confident113 Ų113100.8 Ų100.879%0.7956%0.557SS**  trans-53.7110.6169460000106.9K248 E252K248-S250 PolarHBondContact O-N 2.87Å; S250-E252 PolarHBondContact O-N 3.21Å; S250-E252 VanDerWaalsContact O-N 3.11Å
251T64.6Low75Confident122 Ų122104.2 Ų104.275%0.74857%0.573SS**  trans-58115.9166.944.90000106.6P249P249-T251 PolarHBondContact O-N 3.36Å
252E47.6Very low73.7Confident265 Ų265110.7 Ų110.7100%1.23860%0.601SS**  trans-50.60165.3-67-179.9162.700111.2S250S250-E252 PolarHBondContact O-N 3.21Å; S250-E252 VanDerWaalsContact O-N 3.11Å

Retrieved 252 of 252 residues in 66.3 ms (Link to these results)

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