GTPB4_RAT Loading...

GTP-binding protein 4

Involved in the biogenesis of the 60S ribosomal subunit. Acts as TP53 repressor, preventing TP53 stabilization and cell cycle arrest.

AlphaFold DB , UniProt , Accession Q99P77, Species RAT (Rattus norvegicus, Rat), Gene Gtpbp4, Length 637 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
1M42.8Very low76.5Confident189 Ų18991.8 Ų91.893%0.93146%0.463SS*.  0126.30-70.3178.2-172.100106.5H3M1-H3 PolarHBondContact O-N 3.41Å
2A50Low78.1Confident71 Ų7184.5 Ų84.559%0.58743%0.426SS*.  trans-65.6109-177.400000108.8Y4A2-Y4 HydrophobicContact CB-CE1 4.25Å; A2-Y4 PolarHBondContact O-N 3.48Å; A2-Y4 VanDerWaalsContact O-N 3.1Å
3H60Low79.4Confident142 Ų14279.5 Ų79.566%0.65740%0.403SS*.  trans-64.3111.4161.4-69.2-61.3000106.4M1 N5M1-H3 PolarHBondContact O-N 3.41Å; H3-N5 PolarHBondContact O-N 2.98Å
4Y67.7Low80.7Confident63 Ų6377.5 Ų77.525%0.24740%0.4CS..  trans-70.495.7-179.5-57.6-72.3000108.7A2 F6 I75 H76 Y79A2-Y4 HydrophobicContact CB-CE1 4.25Å; A2-Y4 PolarHBondContact O-N 3.48Å; A2-Y4 VanDerWaalsContact O-N 3.1Å; Y4-F6 HydrophobicContact CG-CZ 4.39Å; Y4-I75 HydrophobicContact CD1-CD1 3.8Å; Y4-I75 HydrophobicContact CD1-CG1 3.81Å; Y4-I75 HydrophobicContact CE1-CD1 3.92Å; Y4-I75 HydrophobicContact CE1-CG1 3.36Å; Y4-I75 HydrophobicContact CE2-CG1 4.32Å; Y4-I75 HydrophobicContact CG-CD1 4.29Å; Y4-I75 HydrophobicContact CG-CG1 4.46Å; Y4-H76 HydrophobicContact CE2-CB 4.08Å; Y4-H76 PolarHBondContact OH-N 3.22Å; Y4-Y79 AromaticContact CD2-CD2 3.56Å; Y4-Y79 HydrophobicContact CD2-CD2 3.56Å; Y4-Y79 AromaticContact CD2-CE2 3.39Å; Y4-Y79 HydrophobicContact CD2-CE2 3.39Å; Y4-Y79 AromaticContact CE2-CD2 3.8Å; Y4-Y79 HydrophobicContact CE2-CD2 3.8Å; Y4-Y79 AromaticContact CE2-CE2 3.95Å; Y4-Y79 HydrophobicContact CE2-CE2 3.95Å; Y4-Y79 HydrophobicContact CG-CD2 4.3Å; Y4-Y79 HydrophobicContact CG-CE2 4.25Å
5N75.2Confident81.7Confident80 Ų8072.7 Ų72.743%0.42838%0.377SS..  trans-98.793.1175.4-173.5-11.7000109.3H3 K7H3-N5 PolarHBondContact O-N 2.98Å; N5-K7 PolarHBondContact O-N 2.79Å; N5-K7 WeakPolarHBondContact OD1-CB 3.36Å; N5-K7 PolarHBondContact OD1-N 3.4Å; N5-K7 VanDerWaalsContact OD1-N 3.09Å
6F85.4Confident82.7Confident15 Ų1577.6 Ų77.67%0.06639%0.394CS..G310 helixtrans-72.2-5.9-179.4-56-51.3000114.5Y4 K8 P70 I75 Y79 M83 L158Y4-F6 HydrophobicContact CG-CZ 4.39Å; F6-K8 VanDerWaalsContact C-N 3.27Å; F6-K8 PolarHBondContact O-N 3.43Å; F6-P70 HydrophobicContact CD1-CG 4.43Å; F6-P70 HydrophobicContact CE1-CB 4.43Å; F6-P70 HydrophobicContact CE1-CG 4.27Å; F6-I75 HydrophobicContact CE1-CD1 4.05Å; F6-I75 HydrophobicContact CZ-CD1 4.15Å; F6-Y79 AromaticContact CE2-CD1 3.82Å; F6-Y79 HydrophobicContact CE2-CD1 3.82Å; F6-Y79 AromaticContact CE2-CE1 3.61Å; F6-Y79 HydrophobicContact CE2-CE1 3.61Å; F6-Y79 AromaticContact CZ-CD1 3.72Å; F6-Y79 HydrophobicContact CZ-CD1 3.72Å; F6-Y79 AromaticContact CZ-CE1 3.9Å; F6-Y79 HydrophobicContact CZ-CE1 3.9Å; F6-Y79 HydrophobicContact CZ-CG 4.2Å; F6-M83 HydrophobicContact CD1-CE 4.19Å; F6-M83 HydrophobicContact CE1-CE 3.49Å; F6-M83 VanDerWaalsContact CE1-CE 3.49Å; F6-M83 HydrophobicContact CE2-CE 4.26Å; F6-M83 HydrophobicContact CZ-CE 3.53Å; F6-L158 HydrophobicContact CB-CD2 3.72Å; F6-L158 HydrophobicContact CB-CG 3.6Å; F6-L158 WeakPolarHBondContact CB-O 3.47Å; F6-L158 HydrophobicContact CD1-CD1 4.44Å; F6-L158 HydrophobicContact CD1-CD2 3.66Å; F6-L158 HydrophobicContact CD1-CG 4.06Å; F6-L158 HydrophobicContact CD2-CD1 4.14Å; F6-L158 HydrophobicContact CD2-CG 4.02Å; F6-L158 HydrophobicContact CE1-CD2 4.43Å; F6-L158 HydrophobicContact CE2-CD1 4.44Å; F6-L158 HydrophobicContact CG-CD1 4.15Å; F6-L158 HydrophobicContact CG-CD2 3.72Å; F6-L158 HydrophobicContact CG-CG 3.63Å
7K88.9Confident83.5Confident156 Ų15678.5 Ų78.568%0.67840%0.4SS*.G310 helixtrans-77.1-10.6179-60.9-174.3175.7-177.50113.7N5 I9 S159N5-K7 PolarHBondContact O-N 2.79Å; N5-K7 WeakPolarHBondContact OD1-CB 3.36Å; N5-K7 PolarHBondContact OD1-N 3.4Å; N5-K7 VanDerWaalsContact OD1-N 3.09Å; K7-I9 VanDerWaalsContact C-N 3.32Å; K7-I9 PolarHBondContact O-N 2.98Å; K7-S159 WeakPolarHBondContact CE-O 3.37Å
8K90.2Very high84.3Confident164 Ų16474.2 Ų74.271%0.71338%0.378SS*.G310 helixtrans-80.8-7.5-177.3-68.8-173.2176.6-177.40114.4F6 T10F6-K8 VanDerWaalsContact C-N 3.27Å; F6-K8 PolarHBondContact O-N 3.43Å; K8-T10 PolarHBondContact O-N 3.29Å
9I92Very high85Confident11 Ų1171.5 Ų71.56%0.05636%0.364CS..PPolyproline II helixtrans-70.2126.7-176.9-53.5177.3000110K7 D68 F69 R155 L158K7-I9 VanDerWaalsContact C-N 3.32Å; K7-I9 PolarHBondContact O-N 2.98Å; I9-D68 HydrophobicContact CB-CB 4.37Å; I9-D68 HydrophobicContact CG1-CB 4.45Å; I9-D68 HydrophobicContact CG2-CB 3.91Å; I9-F69 HydrophobicContact CD1-CD1 4.37Å; I9-F69 HydrophobicContact CG2-CD2 3.94Å; I9-F69 HydrophobicContact CG2-CE2 3.72Å; I9-F69 HydrophobicContact CG2-CZ 4.11Å; I9-R155 HydrophobicContact CB-CG 3.84Å; I9-R155 HydrophobicContact CG2-CG 3.62Å; I9-L158 HydrophobicContact CD1-CD2 3.65Å
10T93.9Very high85.6Confident39 Ų3972.3 Ų72.324%0.23937%0.369CS..PPolyproline II helixtrans-69.5149.4178.255.90000112.8K8 V12 Q64 D68 R155K8-T10 PolarHBondContact O-N 3.29Å; T10-V12 PolarHBondContact O-N 3.31Å; T10-Q64 VanDerWaalsContact CG2-NE2 3.27Å; T10-D68 WeakPolarHBondContact CG2-OD2 3.44Å; T10-D68 PolarHBondContact N-OD2 3.45Å; T10-D68 VanDerWaalsContact N-OD2 3.15Å; T10-D68 PolarHBondContact OG1-OD2 3.14Å; T10-R155 WeakPolarHBondContact O-CD 3.08Å
11V95.9Very high86.1Confident80 Ų8072 Ų7249%0.48537%0.368SS..PPolyproline II helixtrans-56.4128.5179.3-179.60000110.5P13 R61V11-P13 VanDerWaalsContact O-CD 3.27Å; V11-P13 WeakPolarHBondContact O-CD 3.36Å; V11-R61 PolarHBondContact O-NH2 3.23Å
12V95.5Very high88.8Confident4 Ų463 Ų632%0.02432%0.324CS..  trans-88.8108.9175.7-178.60000107.8T10 I65 F69 L148 L151 E152T10-V12 PolarHBondContact O-N 3.31Å; V12-I65 HydrophobicContact CG1-CD1 4.1Å; V12-I65 HydrophobicContact CG2-CG1 4.3Å; V12-I65 HydrophobicContact CG2-CG2 4.41Å; V12-F69 HydrophobicContact CG2-CE2 3.7Å; V12-F69 HydrophobicContact CG2-CZ 4.05Å; V12-L148 HydrophobicContact CG1-CB 4.25Å; V12-L148 HydrophobicContact CG1-CD2 3.58Å; V12-L151 HydrophobicContact CG1-CB 4.4Å; V12-L151 HydrophobicContact CG2-CB 4.43Å; V12-E152 HydrophobicContact CB-CB 4.08Å; V12-E152 PolarHBondContact N-OE2 2.91Å
13P95.3Very high91Very high19 Ų1962.4 Ų62.412%0.12331%0.311CS..  trans-69.2153-179.829.3-34.8000111.2V11 D17 F18V11-P13 VanDerWaalsContact O-CD 3.27Å; V11-P13 WeakPolarHBondContact O-CD 3.36Å; P13-D17 HydrophobicContact CB-CB 4.33Å; P13-F18 HydrophobicContact CB-CB 4.22Å; P13-F18 HydrophobicContact CG-CB 3.83Å; P13-F18 HydrophobicContact CG-CD2 4.21Å; P13-F18 HydrophobicContact CG-CG 4.01Å
14S96.6Very high92.8Very high52 Ų5257.7 Ų57.736%0.36429%0.294SS..  trans-58.9156.4168.581.30000110.6K16 D17 F18S14-K16 PolarHBondContact O-N 3.18Å; S14-D17 WeakPolarHBondContact CB-OD2 3.47Å; S14-D17 PolarHBondContact O-N 3.34Å; S14-D17 PolarHBondContact OG-N 2.8Å; S14-D17 PolarHBondContact OG-OD2 3.37Å; S14-F18 VanDerWaalsContact O-CB 3.28Å; S14-F18 WeakPolarHBondContact O-CB 3.43Å; S14-F18 PolarHBondContact O-N 2.84Å
15A96.9Very high94.2Very high6 Ų658 Ų585%0.0530%0.296CS..Hα-helixtrans-57.3-35.1179.900000112.9I19 R145 L148A15-I19 WeakPolarHBondContact O-CD1 3.44Å; A15-I19 VanDerWaalsContact O-CG1 3.24Å; A15-I19 WeakPolarHBondContact O-CG1 3.49Å; A15-I19 PolarHBondContact O-N 3.45Å; A15-R145 HydrophobicContact CB-CB 4.21Å; A15-R145 HydrophobicContact CB-CG 4.39Å; A15-L148 HydrophobicContact CB-CD1 4.05Å
16K96.9Very high95.2Very high151 Ų15154.4 Ų54.466%0.65728%0.278SS*.Hα-helixtrans-68.8-52177.8-175.8177.7177.1-177.30110.9S14 F18 I19 D20S14-K16 PolarHBondContact O-N 3.18Å; K16-F18 PolarHBondContact O-N 3.43Å; K16-I19 PolarHBondContact O-N 2.89Å; K16-I19 VanDerWaalsContact O-N 3.15Å; K16-D20 PolarHBondContact O-N 3.09Å
17D97Very high95.8Very high92 Ų9260.2 Ų60.249%0.49231%0.305SS..Hα-helixtrans-63.7-33.6-179.8-56.4-34.8000111.5P13 S14 D20 L21P13-D17 HydrophobicContact CB-CB 4.33Å; S14-D17 WeakPolarHBondContact CB-OD2 3.47Å; S14-D17 PolarHBondContact O-N 3.34Å; S14-D17 PolarHBondContact OG-N 2.8Å; S14-D17 PolarHBondContact OG-OD2 3.37Å; D17-D20 PolarHBondContact O-N 2.8Å; D17-L21 WeakPolarHBondContact O-CB 3.43Å; D17-L21 PolarHBondContact O-N 2.87Å
18F97.2Very high96.2Very high1 Ų161.2 Ų61.20%0.00431%0.305CS..Hα-helixtrans-65.9-41177.2-170.1-163.5000112.1P13 S14 K16 T22 Y58 R61 L62 I141 L148P13-F18 HydrophobicContact CB-CB 4.22Å; P13-F18 HydrophobicContact CG-CB 3.83Å; P13-F18 HydrophobicContact CG-CD2 4.21Å; P13-F18 HydrophobicContact CG-CG 4.01Å; S14-F18 VanDerWaalsContact O-CB 3.28Å; S14-F18 WeakPolarHBondContact O-CB 3.43Å; S14-F18 PolarHBondContact O-N 2.84Å; K16-F18 PolarHBondContact O-N 3.43Å; F18-T22 WeakPolarHBondContact O-CB 3.48Å; F18-T22 PolarHBondContact O-N 2.78Å; F18-T22 VanDerWaalsContact O-N 3.1Å; F18-T22 PolarHBondContact O-OG1 2.88Å; F18-Y58 HydrophobicContact CD2-CD1 4.45Å; F18-Y58 HydrophobicContact CD2-CE1 4.37Å; F18-Y58 HydrophobicContact CE1-CD1 4.05Å; F18-Y58 HydrophobicContact CE1-CE1 4.46Å; F18-Y58 AromaticContact CE2-CD1 3.82Å; F18-Y58 HydrophobicContact CE2-CD1 3.82Å; F18-Y58 HydrophobicContact CE2-CE1 4.18Å; F18-Y58 AromaticContact CZ-CD1 3.6Å; F18-Y58 HydrophobicContact CZ-CD1 3.6Å; F18-Y58 HydrophobicContact CZ-CE1 4.23Å; F18-R61 HydrophobicContact CD2-CG 4.26Å; F18-R61 HydrophobicContact CE2-CB 3.6Å; F18-R61 HydrophobicContact CE2-CG 3.47Å; F18-R61 VanDerWaalsContact CE2-CG 3.47Å; F18-R61 HydrophobicContact CZ-CB 3.64Å; F18-R61 HydrophobicContact CZ-CG 3.64Å; F18-L62 HydrophobicContact CE1-CD2 3.93Å; F18-L62 HydrophobicContact CE1-CG 4.16Å; F18-L62 HydrophobicContact CZ-CD2 4.47Å; F18-L62 HydrophobicContact CZ-CG 4.24Å; F18-I141 HydrophobicContact CB-CG2 4.38Å; F18-I141 HydrophobicContact CD1-CD1 4.34Å; F18-I141 HydrophobicContact CD1-CG2 3.62Å; F18-I141 HydrophobicContact CE1-CD1 3.89Å; F18-I141 HydrophobicContact CE1-CG2 4.27Å; F18-I141 HydrophobicContact CG-CG2 4.29Å; F18-L148 HydrophobicContact CD1-CD1 4.36Å
19I97.6Very high96.5Very high23 Ų2360 Ų6012%0.11830%0.299CS..Hα-helixtrans-64-49.8174.2-70.2164.7000110A15 K16 L21 T22 L23 C138 I141 K142A15-I19 WeakPolarHBondContact O-CD1 3.44Å; A15-I19 VanDerWaalsContact O-CG1 3.24Å; A15-I19 WeakPolarHBondContact O-CG1 3.49Å; A15-I19 PolarHBondContact O-N 3.45Å; K16-I19 PolarHBondContact O-N 2.89Å; K16-I19 VanDerWaalsContact O-N 3.15Å; I19-L21 PolarHBondContact O-N 3.48Å; I19-T22 PolarHBondContact O-N 3.13Å; I19-L23 HydrophobicContact CG2-CD1 3.77Å; I19-L23 HydrophobicContact CG2-CG 4.27Å; I19-L23 WeakPolarHBondContact O-CB 3.4Å; I19-L23 WeakPolarHBondContact O-CG 3.39Å; I19-L23 PolarHBondContact O-N 3.48Å; I19-C138 HydrophobicContact CD1-CB 4.2Å; I19-C138 HydrophobicContact CG1-CB 4.32Å; I19-C138 HydrophobicContact CG2-CB 4.24Å; I19-I141 HydrophobicContact CD1-CB 4.45Å; I19-I141 HydrophobicContact CD1-CG2 4.32Å; I19-I141 HydrophobicContact CG1-CB 4.18Å; I19-I141 HydrophobicContact CG1-CG2 3.91Å; I19-K142 HydrophobicContact CD1-CB 4.12Å
20D97.5Very high96.7Very high87 Ų8759.8 Ų59.847%0.46530%0.298SS..Hα-helixtrans-62.4-43.9-177.7-70.7-23.3000111.5K16 D17 T22 S24K16-D20 PolarHBondContact O-N 3.09Å; D17-D20 PolarHBondContact O-N 2.8Å; D20-T22 VanDerWaalsContact C-N 3.33Å; D20-T22 PolarHBondContact O-N 2.94Å; D20-S24 WeakPolarHBondContact O-CB 3.46Å; D20-S24 PolarHBondContact O-N 3.39Å
21L96.7Very high96.8Very high66 Ų6661 Ų6135%0.34631%0.307SS..Hα-helixtrans-58.1-45.9175.2179.564000111.5D17 I19 K25D17-L21 WeakPolarHBondContact O-CB 3.43Å; D17-L21 PolarHBondContact O-N 2.87Å; I19-L21 PolarHBondContact O-N 3.48Å; L21-K25 HydrophobicContact CD1-CD 4.44Å; L21-K25 HydrophobicContact CG-CD 4.37Å; L21-K25 WeakPolarHBondContact O-CB 3.4Å; L21-K25 VanDerWaalsContact O-CG 3.27Å; L21-K25 WeakPolarHBondContact O-CG 3.28Å; L21-K25 PolarHBondContact O-N 3.46Å
22T97.5Very high96.9Very high2 Ų261.2 Ų61.21%0.01231%0.308CS..Hα-helixtrans-72.6-45.1-174.8-57.80000111.6F18 I19 D20 K25 T26 T54 N57 Y58F18-T22 WeakPolarHBondContact O-CB 3.48Å; F18-T22 PolarHBondContact O-N 2.78Å; F18-T22 VanDerWaalsContact O-N 3.1Å; F18-T22 PolarHBondContact O-OG1 2.88Å; I19-T22 PolarHBondContact O-N 3.13Å; D20-T22 VanDerWaalsContact C-N 3.33Å; D20-T22 PolarHBondContact O-N 2.94Å; T22-K25 PolarHBondContact O-N 2.93Å; T22-T26 PolarHBondContact O-N 3.42Å; T22-T26 PolarHBondContact O-OG1 3.39Å; T22-T54 HydrophobicContact CG2-CG2 3.92Å; T22-N57 HydrophobicContact CG2-CB 3.84Å; T22-Y58 HydrophobicContact CG2-CD1 3.99Å; T22-Y58 HydrophobicContact CG2-CD2 3.96Å; T22-Y58 HydrophobicContact CG2-CE1 3.76Å; T22-Y58 HydrophobicContact CG2-CE2 3.77Å; T22-Y58 HydrophobicContact CG2-CG 4.06Å; T22-Y58 WeakPolarHBondContact OG1-CE1 3.47Å
23L97.4Very high96.9Very high57 Ų5765.8 Ų65.830%0.29834%0.336SS..Hα-helixtrans-66.5-40.2177.4-67-178.5000111.8I19 K25 T26 Q27 L134I19-L23 HydrophobicContact CG2-CD1 3.77Å; I19-L23 HydrophobicContact CG2-CG 4.27Å; I19-L23 WeakPolarHBondContact O-CB 3.4Å; I19-L23 WeakPolarHBondContact O-CG 3.39Å; I19-L23 PolarHBondContact O-N 3.48Å; L23-K25 PolarHBondContact O-N 3.44Å; L23-T26 PolarHBondContact O-N 3.32Å; L23-Q27 PolarHBondContact O-N 3.26Å; L23-L134 HydrophobicContact CD2-CD1 4.36Å
24S97.4Very high96.8Very high44 Ų4466.2 Ų66.231%0.30834%0.337SS..Hα-helixtrans-59.7-44.8172.8175.40000111.7D20 T26 Q27 R28D20-S24 WeakPolarHBondContact O-CB 3.46Å; D20-S24 PolarHBondContact O-N 3.39Å; S24-T26 PolarHBondContact O-N 3.5Å; S24-Q27 PolarHBondContact O-N 2.91Å; S24-R28 WeakPolarHBondContact O-CB 3.48Å; S24-R28 WeakPolarHBondContact O-CG 3.34Å; S24-R28 PolarHBondContact O-N 3.07Å; S24-R28 PolarHBondContact O-NE 2.88Å; S24-R28 PolarHBondContact OG-NE 2.85Å; S24-R28 VanDerWaalsContact OG-NE 3.09Å; S24-R28 PolarHBondContact OG-NH2 2.89Å
25K97.2Very high96.7Very high68 Ų6867.9 Ų67.930%0.29634%0.339SS..Hα-helixtrans-59.9-45.3174.4-80.7175.3-179.7177.30111.3L21 T22 L23 Q27 R28 K29L21-K25 HydrophobicContact CD1-CD 4.44Å; L21-K25 HydrophobicContact CG-CD 4.37Å; L21-K25 WeakPolarHBondContact O-CB 3.4Å; L21-K25 VanDerWaalsContact O-CG 3.27Å; L21-K25 WeakPolarHBondContact O-CG 3.28Å; L21-K25 PolarHBondContact O-N 3.46Å; T22-K25 PolarHBondContact O-N 2.93Å; L23-K25 PolarHBondContact O-N 3.44Å; K25-Q27 PolarHBondContact O-N 3.01Å; K25-R28 PolarHBondContact O-N 2.84Å; K25-K29 VanDerWaalsContact O-CB 3.3Å; K25-K29 WeakPolarHBondContact O-CB 3.29Å; K25-K29 PolarHBondContact O-N 3.3Å
26T97.4Very high96.6Very high6 Ų676.3 Ų76.34%0.03738%0.375CS..Hα-helixtrans-61.9-42.6178-63.60000111.8T22 L23 S24 T30 K50 F53 T54T22-T26 PolarHBondContact O-N 3.42Å; T22-T26 PolarHBondContact O-OG1 3.39Å; L23-T26 PolarHBondContact O-N 3.32Å; S24-T26 PolarHBondContact O-N 3.5Å; T26-T30 WeakPolarHBondContact O-CB 3.37Å; T26-T30 PolarHBondContact O-N 3.12Å; T26-T30 PolarHBondContact O-OG1 2.96Å; T26-K50 HydrophobicContact CG2-CB 4.42Å; T26-F53 HydrophobicContact CG2-CD1 4.32Å; T26-T54 WeakPolarHBondContact CG2-OG1 3.46Å; T26-T54 PolarHBondContact OG1-OG1 3.1Å
27Q96.6Very high96.4Very high137 Ų13776 Ų7664%0.6438%0.375SS*.Hα-helixtrans-66.5-42.2-180-174.1171.7200112.4L23 S24 K25 T32L23-Q27 PolarHBondContact O-N 3.26Å; S24-Q27 PolarHBondContact O-N 2.91Å; K25-Q27 PolarHBondContact O-N 3.01Å; Q27-T32 HydrophobicContact CG-CG2 4.47Å; Q27-T32 WeakPolarHBondContact O-CG2 3.43Å
28R97.2Very high96.4Very high177 Ų17774.6 Ų74.667%0.66836%0.363SS*.Hα-helixtrans-77.2-38.6-177.4-69.1-176.7-71.3152.5-6.8113.8S24 K25S24-R28 WeakPolarHBondContact O-CB 3.48Å; S24-R28 WeakPolarHBondContact O-CG 3.34Å; S24-R28 PolarHBondContact O-N 3.07Å; S24-R28 PolarHBondContact O-NE 2.88Å; S24-R28 PolarHBondContact OG-NE 2.85Å; S24-R28 VanDerWaalsContact OG-NE 3.09Å; S24-R28 PolarHBondContact OG-NH2 2.89Å; K25-R28 PolarHBondContact O-N 2.84Å
29K97.2Very high96.2Very high138 Ų13882 Ų8260%0.640%0.398SS*.Hα-helixtrans-93.2-7.6-172.1-64.7-172.6170.2-168.90114.6K25 F53K25-K29 VanDerWaalsContact O-CB 3.3Å; K25-K29 WeakPolarHBondContact O-CB 3.29Å; K25-K29 PolarHBondContact O-N 3.3Å; K29-F53 HydrophobicContact CB-CE1 3.85Å; K29-F53 HydrophobicContact CB-CE2 4.34Å; K29-F53 HydrophobicContact CB-CZ 3.51Å; K29-F53 HydrophobicContact CD-CE1 4.37Å; K29-F53 HydrophobicContact CD-CZ 3.71Å; K29-F53 HydrophobicContact CG-CZ 4.22Å
30T96.1Very high96Very high6 Ų683.7 Ų83.74%0.03741%0.407CS..SBendtrans-118.3146.8177.369.20000110.8T26 K50 F53T26-T30 WeakPolarHBondContact O-CB 3.37Å; T26-T30 PolarHBondContact O-N 3.12Å; T26-T30 PolarHBondContact O-OG1 2.96Å; T30-K50 PolarHBondContact OG1-NZ 2.93Å; T30-F53 HydrophobicContact CG2-CB 3.85Å; T30-F53 HydrophobicContact CG2-CD1 3.66Å; T30-F53 HydrophobicContact CG2-CD2 4.07Å; T30-F53 HydrophobicContact CG2-CE1 4.22Å; T30-F53 HydrophobicContact CG2-CG 3.57Å
31P96.5Very high95.9Very high65 Ų6586 Ų8642%0.42242%0.415SS..  trans-56.2143.2178.823.7-34.4000111.4F46 K50P31-F46 HydrophobicContact CB-CE2 4.21Å; P31-F46 HydrophobicContact CG-CD2 4.36Å; P31-F46 HydrophobicContact CG-CE2 4.3Å; P31-F46 WeakPolarHBondContact O-CE2 3.28Å; P31-F46 VanDerWaalsContact O-CZ 3.26Å; P31-F46 WeakPolarHBondContact O-CZ 2.93Å; P31-K50 WeakPolarHBondContact O-CE 3.45Å; P31-K50 PolarHBondContact O-NZ 3.25Å
32T96.3Very high95.8Very high84 Ų8489.5 Ų89.552%0.51542%0.423SS..  trans-109.7-29.2-171.851.30000113.8Q27 F46Q27-T32 HydrophobicContact CG-CG2 4.47Å; Q27-T32 WeakPolarHBondContact O-CG2 3.43Å; T32-F46 WeakPolarHBondContact O-CZ 3.44Å
33V95.6Very high95.8Very high101 Ų10189.6 Ų89.661%0.61242%0.424SS*.  trans-91.8129.2-175.1-175.20000111.3
34I94.1Very high95.7Very high28 Ų2890.6 Ų90.614%0.14442%0.423CS..  trans-148.7140.2170.5-171.2157000110.7Y38 I43 F46 L123I34-Y38 HydrophobicContact CD1-CD2 4.5Å; I34-Y38 HydrophobicContact CG1-CD2 3.88Å; I34-Y38 HydrophobicContact CG1-CE2 4.43Å; I34-I43 HydrophobicContact CD1-CB 4.14Å; I34-I43 HydrophobicContact CD1-CG1 3.83Å; I34-I43 HydrophobicContact CD1-CG2 4.49Å; I34-I43 HydrophobicContact CG1-CG1 4.38Å; I34-F46 HydrophobicContact CB-CD1 4.31Å; I34-F46 HydrophobicContact CB-CD2 4.22Å; I34-F46 HydrophobicContact CB-CE1 4.29Å; I34-F46 HydrophobicContact CB-CE2 4.17Å; I34-F46 HydrophobicContact CB-CG 4.28Å; I34-F46 HydrophobicContact CB-CZ 4.22Å; I34-F46 HydrophobicContact CD1-CB 3.56Å; I34-F46 HydrophobicContact CD1-CD1 4.06Å; I34-F46 HydrophobicContact CD1-CD2 4.17Å; I34-F46 HydrophobicContact CD1-CG 3.68Å; I34-F46 HydrophobicContact CG2-CD1 3.93Å; I34-F46 HydrophobicContact CG2-CE1 3.7Å; I34-F46 HydrophobicContact CG2-CE2 4.42Å; I34-F46 HydrophobicContact CG2-CG 4.4Å; I34-F46 HydrophobicContact CG2-CZ 3.97Å; I34-L123 HydrophobicContact CG2-CD1 4.27Å
35H94.4Very high95.7Very high86 Ų8693.5 Ų93.540%0.39843%0.432SS..  trans-109.7154.1-179.1-59.6-78.8000112.6H37 Y38H35-H37 WeakPolarHBondContact CB-CE1 3.49Å; H35-H37 AromaticContact CG-CE1 3.79Å; H35-H37 PolarHBondContact O-N 2.69Å; H35-Y38 HydrophobicContact CB-CD1 4.34Å; H35-Y38 HydrophobicContact CB-CE1 4.24Å; H35-Y38 AromaticContact CD2-CZ 3.73Å; H35-Y38 PolarHBondContact O-N 2.6Å
36K94.5Very high95.7Very high184 Ų18491.3 Ų91.380%0.842%0.422SS*.THydrogen-bonded Turntrans-63.7-23.6-177.764.4179.2-179.7178.50114.8L123K36-L123 HydrophobicContact CB-CD1 4.37Å
37H93.9Very high95.7Very high144 Ų14491.6 Ų91.667%0.66742%0.423SS*.THydrogen-bonded Turntrans-89.3-1.2-176.663.3-94000113.9H35H35-H37 WeakPolarHBondContact CB-CE1 3.49Å; H35-H37 AromaticContact CG-CE1 3.79Å; H35-H37 PolarHBondContact O-N 2.69Å
38Y95.1Very high95.8Very high62 Ų6287 Ų8724%0.24340%0.402CS..SBendtrans-71.1152.3177.5-73.4-1.6000111.7I34 H35 I40 R42 I43I34-Y38 HydrophobicContact CD1-CD2 4.5Å; I34-Y38 HydrophobicContact CG1-CD2 3.88Å; I34-Y38 HydrophobicContact CG1-CE2 4.43Å; H35-Y38 HydrophobicContact CB-CD1 4.34Å; H35-Y38 HydrophobicContact CB-CE1 4.24Å; H35-Y38 AromaticContact CD2-CZ 3.73Å; H35-Y38 PolarHBondContact O-N 2.6Å; Y38-I40 PolarHBondContact O-N 2.76Å; Y38-R42 HydrophobicContact CD2-CG 4.24Å; Y38-I43 WeakPolarHBondContact O-CD1 3.31Å
39Q94.9Very high95.8Very high156 Ų15684.5 Ų84.573%0.72939%0.392SS*.  trans-52.4138.2173.2-66.9174.7-20.900111H41 R42 I43Q39-H41 PolarHBondContact O-N 2.65Å; Q39-H41 VanDerWaalsContact O-N 3.08Å; Q39-R42 WeakPolarHBondContact O-CB 3.35Å; Q39-R42 PolarHBondContact O-N 3.05Å; Q39-I43 PolarHBondContact O-N 2.72Å
40I93.4Very high95.8Very high60 Ų6079 Ų7931%0.30837%0.368SS..Hα-helixtrans-56.4-32.4-175.8-167.957.5000112.8Y38 R42 I43 R44 D121Y38-I40 PolarHBondContact O-N 2.76Å; I40-R42 VanDerWaalsContact C-N 3.35Å; I40-R42 PolarHBondContact O-N 3.36Å; I40-I43 HydrophobicContact CD1-CB 4.35Å; I40-I43 PolarHBondContact O-N 3.12Å; I40-R44 HydrophobicContact CD1-CG 4.49Å; I40-R44 HydrophobicContact CG1-CG 4.3Å; I40-R44 WeakPolarHBondContact O-CG 3.38Å; I40-R44 PolarHBondContact O-N 3.18Å; I40-D121 VanDerWaalsContact CD1-O 3.3Å; I40-D121 WeakPolarHBondContact CD1-O 3.38Å
41H94.5Very high95.9Very high136 Ų13678.7 Ų78.763%0.6337%0.367SS*.Hα-helixtrans-56.4-46.8174.1179.574.5000112Q39 I43 R44 H45Q39-H41 PolarHBondContact O-N 2.65Å; Q39-H41 VanDerWaalsContact O-N 3.08Å; H41-I43 PolarHBondContact O-N 3.21Å; H41-R44 PolarHBondContact O-N 2.86Å; H41-H45 WeakPolarHBondContact O-CB 3.4Å; H41-H45 PolarHBondContact O-N 3.17Å
42R95.6Very high95.9Very high138 Ų13881.2 Ų81.252%0.52137%0.371SS..Hα-helixtrans-66-38.2178.2-170.8172.6179.5-176.7-0.2111.6Y38 Q39 I40 F46Y38-R42 HydrophobicContact CD2-CG 4.24Å; Q39-R42 WeakPolarHBondContact O-CB 3.35Å; Q39-R42 PolarHBondContact O-N 3.05Å; I40-R42 VanDerWaalsContact C-N 3.35Å; I40-R42 PolarHBondContact O-N 3.36Å; R42-F46 VanDerWaalsContact O-CB 3.27Å; R42-F46 WeakPolarHBondContact O-CB 3Å; R42-F46 PolarHBondContact O-N 2.63Å
43I96.2Very high96Very high5 Ų579.7 Ų79.73%0.02636%0.357CS..Hα-helixtrans-64.7-49.3176.4-61.5173.1000111.4I34 Y38 Q39 I40 H41 F46 Y47 L123 C126I34-I43 HydrophobicContact CD1-CB 4.14Å; I34-I43 HydrophobicContact CD1-CG1 3.83Å; I34-I43 HydrophobicContact CD1-CG2 4.49Å; I34-I43 HydrophobicContact CG1-CG1 4.38Å; Y38-I43 WeakPolarHBondContact O-CD1 3.31Å; Q39-I43 PolarHBondContact O-N 2.72Å; I40-I43 HydrophobicContact CD1-CB 4.35Å; I40-I43 PolarHBondContact O-N 3.12Å; H41-I43 PolarHBondContact O-N 3.21Å; I43-F46 PolarHBondContact O-N 2.92Å; I43-Y47 HydrophobicContact CG2-CD2 4.09Å; I43-Y47 HydrophobicContact CG2-CE2 3.96Å; I43-Y47 VanDerWaalsContact O-CD2 3.26Å; I43-Y47 WeakPolarHBondContact O-CD2 3.3Å; I43-Y47 PolarHBondContact O-N 2.59Å; I43-L123 HydrophobicContact CD1-CB 4.35Å; I43-L123 HydrophobicContact CG2-CB 4.36Å; I43-C126 HydrophobicContact CG2-CB 4.16Å
44R96.6Very high96.1Very high77 Ų7774.9 Ų74.929%0.29133%0.328SS..Hα-helixtrans-59.8-50.6177-69.4177.4-175.3166.53110.9I40 H41 F46 Y47 M48 K118 G120I40-R44 HydrophobicContact CD1-CG 4.49Å; I40-R44 HydrophobicContact CG1-CG 4.3Å; I40-R44 WeakPolarHBondContact O-CG 3.38Å; I40-R44 PolarHBondContact O-N 3.18Å; H41-R44 PolarHBondContact O-N 2.86Å; R44-F46 VanDerWaalsContact C-N 3.32Å; R44-F46 PolarHBondContact O-N 3.06Å; R44-Y47 PolarHBondContact O-N 3.43Å; R44-M48 HydrophobicContact CB-SD 4.4Å; R44-M48 WeakPolarHBondContact O-CB 3.28Å; R44-M48 WeakPolarHBondContact O-CG 3.09Å; R44-M48 PolarHBondContact O-N 3.24Å; R44-K118 PolarHBondContact NE-O 3.2Å; R44-K118 PolarHBondContact NH1-O 2.99Å; R44-G120 PolarHBondContact NE-O 3.31Å; R44-G120 PolarHBondContact NH2-O 3.39Å
45H96.7Very high96.3Very high106 Ų10675.1 Ų75.149%0.49133%0.329SS..Hα-helixtrans-59.5-40.6-179.6-176.7-100000112.6H41 Y47 M48 R49H41-H45 WeakPolarHBondContact O-CB 3.4Å; H41-H45 PolarHBondContact O-N 3.17Å; H45-Y47 PolarHBondContact O-N 2.97Å; H45-M48 PolarHBondContact O-N 3.37Å; H45-R49 WeakPolarHBondContact O-CB 3.48Å; H45-R49 PolarHBondContact O-N 3.23Å
46F97.6Very high96.5Very high21 Ų2175.2 Ų75.29%0.09233%0.329CS..Hα-helixtrans-57.3-49.1177.5178.2-89.6000112.6P31 T32 I34 R42 I43 R44 K50P31-F46 HydrophobicContact CB-CE2 4.21Å; P31-F46 HydrophobicContact CG-CD2 4.36Å; P31-F46 HydrophobicContact CG-CE2 4.3Å; P31-F46 WeakPolarHBondContact O-CE2 3.28Å; P31-F46 VanDerWaalsContact O-CZ 3.26Å; P31-F46 WeakPolarHBondContact O-CZ 2.93Å; T32-F46 WeakPolarHBondContact O-CZ 3.44Å; I34-F46 HydrophobicContact CB-CD1 4.31Å; I34-F46 HydrophobicContact CB-CD2 4.22Å; I34-F46 HydrophobicContact CB-CE1 4.29Å; I34-F46 HydrophobicContact CB-CE2 4.17Å; I34-F46 HydrophobicContact CB-CG 4.28Å; I34-F46 HydrophobicContact CB-CZ 4.22Å; I34-F46 HydrophobicContact CD1-CB 3.56Å; I34-F46 HydrophobicContact CD1-CD1 4.06Å; I34-F46 HydrophobicContact CD1-CD2 4.17Å; I34-F46 HydrophobicContact CD1-CG 3.68Å; I34-F46 HydrophobicContact CG2-CD1 3.93Å; I34-F46 HydrophobicContact CG2-CE1 3.7Å; I34-F46 HydrophobicContact CG2-CE2 4.42Å; I34-F46 HydrophobicContact CG2-CG 4.4Å; I34-F46 HydrophobicContact CG2-CZ 3.97Å; R42-F46 VanDerWaalsContact O-CB 3.27Å; R42-F46 WeakPolarHBondContact O-CB 3Å; R42-F46 PolarHBondContact O-N 2.63Å; I43-F46 PolarHBondContact O-N 2.92Å; R44-F46 VanDerWaalsContact C-N 3.32Å; R44-F46 PolarHBondContact O-N 3.06Å; F46-K50 HydrophobicContact CE1-CD 4.14Å; F46-K50 VanDerWaalsContact CE1-CE 3.5Å; F46-K50 HydrophobicContact CZ-CD 4.46Å; F46-K50 PolarHBondContact O-N 2.72Å
47Y97.4Very high96.6Very high13 Ų1367.7 Ų67.75%0.05130%0.298CS..Hα-helixtrans-76.9-36-179.2-69.5-64.9000112.9I43 R44 H45 R49 K50 V51 L123 C126 K127 K130I43-Y47 HydrophobicContact CG2-CD2 4.09Å; I43-Y47 HydrophobicContact CG2-CE2 3.96Å; I43-Y47 VanDerWaalsContact O-CD2 3.26Å; I43-Y47 WeakPolarHBondContact O-CD2 3.3Å; I43-Y47 PolarHBondContact O-N 2.59Å; R44-Y47 PolarHBondContact O-N 3.43Å; H45-Y47 PolarHBondContact O-N 2.97Å; Y47-R49 VanDerWaalsContact C-N 3.29Å; Y47-R49 PolarHBondContact O-N 3.28Å; Y47-K50 PolarHBondContact O-N 3.32Å; Y47-V51 PolarHBondContact O-N 2.54Å; Y47-V51 VanDerWaalsContact O-N 3.12Å; Y47-L123 HydrophobicContact CE2-CG 4.48Å; Y47-C126 HydrophobicContact CD2-CB 3.35Å; Y47-C126 HydrophobicContact CE2-CB 3.78Å; Y47-C126 HydrophobicContact CG-CB 4.15Å; Y47-K127 HydrophobicContact CE1-CB 4.26Å; Y47-K127 HydrophobicContact CE1-CG 4.48Å; Y47-K127 HydrophobicContact CE2-CB 4.5Å; Y47-K130 HydrophobicContact CD1-CB 3.71Å; Y47-K130 HydrophobicContact CD1-CG 3.88Å; Y47-K130 HydrophobicContact CE1-CB 4.45Å; Y47-K130 HydrophobicContact CG-CB 4.28Å
48M97.2Very high96.8Very high40 Ų4060.9 Ų60.920%0.19727%0.266CS..Hα-helixtrans-58.1-42.6172.6-72.5171.178.800111.2R44 H45 K50 V51 K52 V114 M117 K118R44-M48 HydrophobicContact CB-SD 4.4Å; R44-M48 WeakPolarHBondContact O-CB 3.28Å; R44-M48 WeakPolarHBondContact O-CG 3.09Å; R44-M48 PolarHBondContact O-N 3.24Å; H45-M48 PolarHBondContact O-N 3.37Å; M48-K50 PolarHBondContact O-N 3.42Å; M48-V51 PolarHBondContact O-N 3Å; M48-K52 WeakPolarHBondContact O-CB 3.13Å; M48-K52 PolarHBondContact O-N 3.01Å; M48-V114 HydrophobicContact CE-CG1 3.62Å; M48-M117 HydrophobicContact CG-CB 3.9Å; M48-M117 HydrophobicContact CG-SD 4.03Å; M48-K118 HydrophobicContact CE-CG 4.47Å
49R97.3Very high97Very high124 Ų12460.2 Ų60.247%0.46827%0.265SS..Hα-helixtrans-61.4-42.1176.6-174174.7-178.6177.30.9111.9H45 Y47 F53H45-R49 WeakPolarHBondContact O-CB 3.48Å; H45-R49 PolarHBondContact O-N 3.23Å; Y47-R49 VanDerWaalsContact C-N 3.29Å; Y47-R49 PolarHBondContact O-N 3.28Å; R49-F53 WeakPolarHBondContact O-CB 3.27Å; R49-F53 PolarHBondContact O-N 2.9Å
50K97.5Very high97.1Very high22 Ų2256.5 Ų56.510%0.09625%0.25CS..Hα-helixtrans-64.8-41.5178.6-73.3-168.7-179.1-700112.9T26 T30 P31 F46 Y47 M48 T54 K130T26-K50 HydrophobicContact CG2-CB 4.42Å; T30-K50 PolarHBondContact OG1-NZ 2.93Å; P31-K50 WeakPolarHBondContact O-CE 3.45Å; P31-K50 PolarHBondContact O-NZ 3.25Å; F46-K50 HydrophobicContact CE1-CD 4.14Å; F46-K50 VanDerWaalsContact CE1-CE 3.5Å; F46-K50 HydrophobicContact CZ-CD 4.46Å; F46-K50 PolarHBondContact O-N 2.72Å; Y47-K50 PolarHBondContact O-N 3.32Å; M48-K50 PolarHBondContact O-N 3.42Å; K50-T54 PolarHBondContact O-N 3.35Å; K50-T54 VanDerWaalsContact O-N 3.13Å; K50-T54 PolarHBondContact O-OG1 3.4Å; K50-K130 HydrophobicContact CB-CG 4.45Å
51V97.9Very high97.2Very high0 Ų056.4 Ų56.40%025%0.246CC..Hα-helixtrans-67.1-49.3177175.20000110.8Y47 M48 F53 T54 Q55 A110 V114 M117 K130 A133 M137Y47-V51 PolarHBondContact O-N 2.54Å; Y47-V51 VanDerWaalsContact O-N 3.12Å; M48-V51 PolarHBondContact O-N 3Å; V51-F53 PolarHBondContact O-N 2.87Å; V51-T54 PolarHBondContact O-N 3.18Å; V51-Q55 PolarHBondContact O-N 3.23Å; V51-A110 HydrophobicContact CG1-CB 4.31Å; V51-V114 HydrophobicContact CB-CG2 4.49Å; V51-V114 HydrophobicContact CG1-CG2 4.17Å; V51-M117 HydrophobicContact CG2-CE 3.46Å; V51-M117 VanDerWaalsContact CG2-CE 3.46Å; V51-M117 HydrophobicContact CG2-SD 4.26Å; V51-K130 HydrophobicContact CG2-CG 4.27Å; V51-A133 HydrophobicContact CG1-CB 3.97Å; V51-A133 HydrophobicContact CG2-CB 3.68Å; V51-M137 HydrophobicContact CG1-CE 3.9Å
52K97.9Very high97.3Very high118 Ų11850 Ų5051%0.51322%0.216SC..Hα-helixtrans-59.9-43.6177.2-78.1-164.2170.7-1670112.8M48 T54 Q55 Q56 V114M48-K52 WeakPolarHBondContact O-CB 3.13Å; M48-K52 PolarHBondContact O-N 3.01Å; K52-T54 VanDerWaalsContact C-N 3.31Å; K52-T54 PolarHBondContact O-N 3.32Å; K52-Q55 PolarHBondContact O-N 3.45Å; K52-Q56 WeakPolarHBondContact O-CB 3.37Å; K52-Q56 PolarHBondContact O-N 3.43Å; K52-V114 HydrophobicContact CG-CG2 3.85Å
53F98.1Very high97.4Very high53 Ų5345 Ų4523%0.23220%0.203CC..Hα-helixtrans-63.9-37.5179.5-170.1-95000112.2T26 K29 T30 R49 V51 N57T26-F53 HydrophobicContact CG2-CD1 4.32Å; K29-F53 HydrophobicContact CB-CE1 3.85Å; K29-F53 HydrophobicContact CB-CE2 4.34Å; K29-F53 HydrophobicContact CB-CZ 3.51Å; K29-F53 HydrophobicContact CD-CE1 4.37Å; K29-F53 HydrophobicContact CD-CZ 3.71Å; K29-F53 HydrophobicContact CG-CZ 4.22Å; T30-F53 HydrophobicContact CG2-CB 3.85Å; T30-F53 HydrophobicContact CG2-CD1 3.66Å; T30-F53 HydrophobicContact CG2-CD2 4.07Å; T30-F53 HydrophobicContact CG2-CE1 4.22Å; T30-F53 HydrophobicContact CG2-CG 3.57Å; R49-F53 WeakPolarHBondContact O-CB 3.27Å; R49-F53 PolarHBondContact O-N 2.9Å; V51-F53 PolarHBondContact O-N 2.87Å; F53-N57 VanDerWaalsContact CD1-ND2 3.28Å; F53-N57 WeakPolarHBondContact CD1-ND2 3.28Å; F53-N57 WeakPolarHBondContact CE1-ND2 3.38Å; F53-N57 PolarHBondContact O-N 2.85Å; F53-N57 PolarHBondContact O-ND2 2.7Å
54T98.2Very high97.4Very high0 Ų048 Ų480%022%0.217CC..Hα-helixtrans-69.6-43.6176.3-52.30000111.3T22 T26 K50 V51 K52 Q56 N57 Y58 L134 M137T22-T54 HydrophobicContact CG2-CG2 3.92Å; T26-T54 WeakPolarHBondContact CG2-OG1 3.46Å; T26-T54 PolarHBondContact OG1-OG1 3.1Å; K50-T54 PolarHBondContact O-N 3.35Å; K50-T54 VanDerWaalsContact O-N 3.13Å; K50-T54 PolarHBondContact O-OG1 3.4Å; V51-T54 PolarHBondContact O-N 3.18Å; K52-T54 VanDerWaalsContact C-N 3.31Å; K52-T54 PolarHBondContact O-N 3.32Å; T54-Q56 PolarHBondContact O-N 3.26Å; T54-N57 PolarHBondContact O-N 3.33Å; T54-Y58 HydrophobicContact CG2-CD2 3.8Å; T54-Y58 HydrophobicContact CG2-CE2 3.52Å; T54-Y58 WeakPolarHBondContact O-CD2 3.47Å; T54-Y58 PolarHBondContact O-N 3.29Å; T54-Y58 VanDerWaalsContact O-N 3.1Å; T54-L134 VanDerWaalsContact CB-CD2 3.47Å; T54-L134 HydrophobicContact CG2-CD2 3.52Å; T54-L134 VanDerWaalsContact OG1-CD2 3.23Å; T54-L134 WeakPolarHBondContact OG1-CD2 3.18Å; T54-M137 HydrophobicContact CG2-SD 4.09Å
55Q97.9Very high97.4Very high33 Ų3344.4 Ų44.415%0.15420%0.204CC..Hα-helixtrans-58.4-48.1174.5169.7-97.4-30.400111.7V51 K52 N57 Y58 H59 V106 D107 A110 M137V51-Q55 PolarHBondContact O-N 3.23Å; K52-Q55 PolarHBondContact O-N 3.45Å; Q55-N57 VanDerWaalsContact C-N 3.34Å; Q55-N57 PolarHBondContact O-N 2.9Å; Q55-Y58 PolarHBondContact O-N 3.45Å; Q55-H59 VanDerWaalsContact O-CB 3.3Å; Q55-H59 WeakPolarHBondContact O-CB 3.43Å; Q55-H59 PolarHBondContact O-N 2.95Å; Q55-V106 HydrophobicContact CB-CG1 4.44Å; Q55-V106 HydrophobicContact CG-CG1 4.24Å; Q55-D107 WeakPolarHBondContact CG-OD1 3.49Å; Q55-D107 PolarHBondContact NE2-OD1 3.09Å; Q55-A110 HydrophobicContact CB-CB 3.48Å; Q55-A110 VanDerWaalsContact CB-CB 3.48Å; Q55-A110 HydrophobicContact CG-CB 3.46Å; Q55-A110 VanDerWaalsContact CG-CB 3.46Å; Q55-M137 HydrophobicContact CB-CE 3.9Å
56Q98Very high97.3Very high88 Ų8841.3 Ų41.341%0.41119%0.19SC..Hα-helixtrans-58-45.4179.1-169.165.34800111.8K52 T54 Y58 H59 D60K52-Q56 WeakPolarHBondContact O-CB 3.37Å; K52-Q56 PolarHBondContact O-N 3.43Å; T54-Q56 PolarHBondContact O-N 3.26Å; Q56-Y58 PolarHBondContact O-N 3.22Å; Q56-H59 PolarHBondContact O-N 3.47Å; Q56-D60 PolarHBondContact NE2-OD1 2.95Å; Q56-D60 WeakPolarHBondContact O-CB 3.38Å; Q56-D60 PolarHBondContact O-N 2.79Å
57N97.7Very high97.1Very high26 Ų2644.5 Ų44.514%0.13922%0.215CC..Hα-helixtrans-63.8-40179.2-71.4-41.5000113.1T22 F53 T54 Q55 R61T22-N57 HydrophobicContact CG2-CB 3.84Å; F53-N57 VanDerWaalsContact CD1-ND2 3.28Å; F53-N57 WeakPolarHBondContact CD1-ND2 3.28Å; F53-N57 WeakPolarHBondContact CE1-ND2 3.38Å; F53-N57 PolarHBondContact O-N 2.85Å; F53-N57 PolarHBondContact O-ND2 2.7Å; T54-N57 PolarHBondContact O-N 3.33Å; Q55-N57 VanDerWaalsContact C-N 3.34Å; Q55-N57 PolarHBondContact O-N 2.9Å; N57-R61 WeakPolarHBondContact O-CB 3.49Å; N57-R61 PolarHBondContact O-N 3.31Å
58Y97.8Very high96.8Very high0 Ų046.3 Ų46.30%023%0.226CC..Hα-helixtrans-66.1-45.6174.5-79.8-51.8000111F18 T22 T54 Q55 Q56 R61 L62 V106 M137 C138 I141F18-Y58 HydrophobicContact CD2-CD1 4.45Å; F18-Y58 HydrophobicContact CD2-CE1 4.37Å; F18-Y58 HydrophobicContact CE1-CD1 4.05Å; F18-Y58 HydrophobicContact CE1-CE1 4.46Å; F18-Y58 AromaticContact CE2-CD1 3.82Å; F18-Y58 HydrophobicContact CE2-CD1 3.82Å; F18-Y58 HydrophobicContact CE2-CE1 4.18Å; F18-Y58 AromaticContact CZ-CD1 3.6Å; F18-Y58 HydrophobicContact CZ-CD1 3.6Å; F18-Y58 HydrophobicContact CZ-CE1 4.23Å; T22-Y58 HydrophobicContact CG2-CD1 3.99Å; T22-Y58 HydrophobicContact CG2-CD2 3.96Å; T22-Y58 HydrophobicContact CG2-CE1 3.76Å; T22-Y58 HydrophobicContact CG2-CE2 3.77Å; T22-Y58 HydrophobicContact CG2-CG 4.06Å; T22-Y58 WeakPolarHBondContact OG1-CE1 3.47Å; T54-Y58 HydrophobicContact CG2-CD2 3.8Å; T54-Y58 HydrophobicContact CG2-CE2 3.52Å; T54-Y58 WeakPolarHBondContact O-CD2 3.47Å; T54-Y58 PolarHBondContact O-N 3.29Å; T54-Y58 VanDerWaalsContact O-N 3.1Å; Q55-Y58 PolarHBondContact O-N 3.45Å; Q56-Y58 PolarHBondContact O-N 3.22Å; Y58-R61 PolarHBondContact O-N 3.46Å; Y58-L62 WeakPolarHBondContact O-CB 3.48Å; Y58-L62 WeakPolarHBondContact O-CG 3.46Å; Y58-L62 PolarHBondContact O-N 3.46Å; Y58-V106 HydrophobicContact CD2-CG1 4.26Å; Y58-V106 HydrophobicContact CG-CG1 4.44Å; Y58-M137 HydrophobicContact CD2-CB 4.18Å; Y58-M137 HydrophobicContact CD2-SD 4.43Å; Y58-M137 HydrophobicContact CE2-CB 3.86Å; Y58-C138 PolarHBondContact OH-SG 3.34Å; Y58-I141 HydrophobicContact CD1-CD1 4.05Å; Y58-I141 HydrophobicContact CD1-CG1 3.85Å; Y58-I141 HydrophobicContact CE1-CD1 4.32Å; Y58-I141 HydrophobicContact CE1-CG1 3.64Å
59H97.8Very high96.6Very high49 Ų4944.7 Ų44.723%0.22722%0.218CC..Hα-helixtrans-57.8-52.2177.6179.697.1000111.2Q55 Q56 R61 L62 S63 D107Q55-H59 VanDerWaalsContact O-CB 3.3Å; Q55-H59 WeakPolarHBondContact O-CB 3.43Å; Q55-H59 PolarHBondContact O-N 2.95Å; Q56-H59 PolarHBondContact O-N 3.47Å; H59-R61 VanDerWaalsContact C-N 3.3Å; H59-R61 PolarHBondContact O-N 2.99Å; H59-L62 PolarHBondContact O-N 2.96Å; H59-S63 PolarHBondContact NE2-OG 3.03Å; H59-S63 VanDerWaalsContact O-CB 3.22Å; H59-S63 WeakPolarHBondContact O-CB 3.49Å; H59-S63 PolarHBondContact O-N 3.48Å; H59-S63 PolarHBondContact O-OG 3.34Å; H59-D107 IonicContact CE1-OD2 3.64Å; H59-D107 IonicContact CG-OD1 3.88Å; H59-D107 IonicContact ND1-OD1 2.72Å; H59-D107 PolarHBondContact ND1-OD1 2.79Å; H59-D107 IonicContact ND1-OD2 2.75Å; H59-D107 PolarHBondContact ND1-OD2 3.15Å
60D97.5Very high96.3Very high77 Ų7739.9 Ų39.941%0.41220%0.202SC..Hα-helixtrans-57.5-44.6-178.8-67.8-16.4000111.3Q56 Q64Q56-D60 PolarHBondContact NE2-OD1 2.95Å; Q56-D60 WeakPolarHBondContact O-CB 3.38Å; Q56-D60 PolarHBondContact O-N 2.79Å; D60-Q64 VanDerWaalsContact O-CB 3.32Å; D60-Q64 WeakPolarHBondContact O-CB 3.44Å; D60-Q64 PolarHBondContact O-N 3.32Å
61R96.3Very high95.9Very high58 Ų5845.7 Ų45.722%0.21923%0.228CC..Hα-helixtrans-73-39.9-178.2-173.354.4166.3-164.8-1.8112.8V11 F18 N57 Y58 H59 Q64 I65V11-R61 PolarHBondContact O-NH2 3.23Å; F18-R61 HydrophobicContact CD2-CG 4.26Å; F18-R61 HydrophobicContact CE2-CB 3.6Å; F18-R61 HydrophobicContact CE2-CG 3.47Å; F18-R61 VanDerWaalsContact CE2-CG 3.47Å; F18-R61 HydrophobicContact CZ-CB 3.64Å; F18-R61 HydrophobicContact CZ-CG 3.64Å; N57-R61 WeakPolarHBondContact O-CB 3.49Å; N57-R61 PolarHBondContact O-N 3.31Å; Y58-R61 PolarHBondContact O-N 3.46Å; H59-R61 VanDerWaalsContact C-N 3.3Å; H59-R61 PolarHBondContact O-N 2.99Å; R61-Q64 PolarHBondContact O-N 3.24Å; R61-I65 WeakPolarHBondContact O-CG1 3.46Å; R61-I65 PolarHBondContact O-N 3.43Å; R61-I65 VanDerWaalsContact O-N 3.1Å
62L97.1Very high95.5Very high1 Ų146 Ų461%0.00523%0.23CC..Hα-helixtrans-67-40.9175.6-69168.3000111.3F18 Y58 H59 Q64 I65 L66 I99 K103 I141F18-L62 HydrophobicContact CE1-CD2 3.93Å; F18-L62 HydrophobicContact CE1-CG 4.16Å; F18-L62 HydrophobicContact CZ-CD2 4.47Å; F18-L62 HydrophobicContact CZ-CG 4.24Å; Y58-L62 WeakPolarHBondContact O-CB 3.48Å; Y58-L62 WeakPolarHBondContact O-CG 3.46Å; Y58-L62 PolarHBondContact O-N 3.46Å; H59-L62 PolarHBondContact O-N 2.96Å; L62-Q64 VanDerWaalsContact C-N 3.33Å; L62-Q64 PolarHBondContact O-N 3.49Å; L62-I65 PolarHBondContact O-N 2.82Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 2.89Å; L62-I99 HydrophobicContact CB-CG2 4.41Å; L62-I99 HydrophobicContact CD2-CD1 4.46Å; L62-I99 HydrophobicContact CD2-CG2 3.76Å; L62-K103 HydrophobicContact CB-CB 4.1Å; L62-K103 HydrophobicContact CB-CG 4.3Å; L62-K103 HydrophobicContact CD1-CB 3.99Å; L62-I141 HydrophobicContact CD1-CD1 4.07Å; L62-I141 HydrophobicContact CD2-CD1 4.41Å
63S97.2Very high95Very high35 Ų3545.2 Ų45.225%0.24523%0.231CC..Hα-helixtrans-61.4-41.9174.3-69.80000111.6H59 L66 S67 K103H59-S63 PolarHBondContact NE2-OG 3.03Å; H59-S63 VanDerWaalsContact O-CB 3.22Å; H59-S63 WeakPolarHBondContact O-CB 3.49Å; H59-S63 PolarHBondContact O-N 3.48Å; H59-S63 PolarHBondContact O-OG 3.34Å; S63-L66 PolarHBondContact O-N 3.17Å; S63-S67 PolarHBondContact O-N 3.24Å; S63-S67 PolarHBondContact O-OG 3.33Å; S63-K103 WeakPolarHBondContact OG-CD 3.21Å
64Q96Very high94.6Very high68 Ų6848.6 Ų48.632%0.31825%0.251SS..Hα-helixtrans-60.5-44.2175.3-178171.13200112.2T10 D60 R61 L62 L66 S67 D68T10-Q64 VanDerWaalsContact CG2-NE2 3.27Å; D60-Q64 VanDerWaalsContact O-CB 3.32Å; D60-Q64 WeakPolarHBondContact O-CB 3.44Å; D60-Q64 PolarHBondContact O-N 3.32Å; R61-Q64 PolarHBondContact O-N 3.24Å; L62-Q64 VanDerWaalsContact C-N 3.33Å; L62-Q64 PolarHBondContact O-N 3.49Å; Q64-L66 VanDerWaalsContact C-N 3.35Å; Q64-L66 PolarHBondContact O-N 2.98Å; Q64-S67 WeakPolarHBondContact CA-OG 3.21Å; Q64-S67 PolarHBondContact O-N 3.04Å; Q64-S67 PolarHBondContact O-OG 2.95Å; Q64-D68 WeakPolarHBondContact O-CB 3.47Å; Q64-D68 PolarHBondContact O-N 3.46Å
65I95.6Very high94.1Very high1 Ų149.4 Ų49.41%0.00526%0.255CS..Hα-helixtrans-60.2-46.5175.1-65.9166.5000110V12 R61 L62 S67 D68 F69 I99 L148 L151V12-I65 HydrophobicContact CG1-CD1 4.1Å; V12-I65 HydrophobicContact CG2-CG1 4.3Å; V12-I65 HydrophobicContact CG2-CG2 4.41Å; R61-I65 WeakPolarHBondContact O-CG1 3.46Å; R61-I65 PolarHBondContact O-N 3.43Å; R61-I65 VanDerWaalsContact O-N 3.1Å; L62-I65 PolarHBondContact O-N 2.82Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 3.28Å; I65-D68 PolarHBondContact O-N 3.14Å; I65-F69 HydrophobicContact CG2-CD2 4.02Å; I65-F69 HydrophobicContact CG2-CE2 4.01Å; I65-F69 VanDerWaalsContact O-CD2 3.28Å; I65-F69 WeakPolarHBondContact O-CD2 3.48Å; I65-F69 PolarHBondContact O-N 3.43Å; I65-I99 HydrophobicContact CG2-CG2 4.4Å; I65-L148 HydrophobicContact CD1-CD2 4.25Å; I65-L151 HydrophobicContact CG2-CD1 4.21Å
66L95.2Very high93.8Very high41 Ų4150 Ų5022%0.21526%0.258CS..Hα-helixtrans-65.2-30.6-179.6-68.3169.3000113.8L62 S63 Q64 L96 I99 N100 K103L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 2.89Å; S63-L66 PolarHBondContact O-N 3.17Å; Q64-L66 VanDerWaalsContact C-N 3.35Å; Q64-L66 PolarHBondContact O-N 2.98Å; L66-L96 HydrophobicContact CD2-CB 4.33Å; L66-L96 HydrophobicContact CD2-CD2 4.27Å; L66-L96 WeakPolarHBondContact CD2-O 3.49Å; L66-I99 HydrophobicContact CD1-CG2 4.33Å; L66-I99 HydrophobicContact CD2-CB 4.16Å; L66-I99 HydrophobicContact CD2-CG2 3.89Å; L66-I99 HydrophobicContact CG-CG2 3.88Å; L66-N100 HydrophobicContact CD1-CB 3.95Å; L66-N100 HydrophobicContact CD2-CB 4.18Å; L66-K103 HydrophobicContact CD1-CD 4.23Å
67S92.7Very high93.5Very high88 Ų8849.1 Ų49.162%0.61526%0.26SS*.Hα-helixtrans-83.7-33.8179.960.10000113.8S63 Q64 I65S63-S67 PolarHBondContact O-N 3.24Å; S63-S67 PolarHBondContact O-OG 3.33Å; Q64-S67 WeakPolarHBondContact CA-OG 3.21Å; Q64-S67 PolarHBondContact O-N 3.04Å; Q64-S67 PolarHBondContact O-OG 2.95Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 3.28Å
68D92.1Very high93.3Very high50 Ų5047.9 Ų47.927%0.26725%0.253SS..Hα-helixtrans-75.3-34.8-174.6-71.5-3000111.7I9 T10 Q64 I65I9-D68 HydrophobicContact CB-CB 4.37Å; I9-D68 HydrophobicContact CG1-CB 4.45Å; I9-D68 HydrophobicContact CG2-CB 3.91Å; T10-D68 WeakPolarHBondContact CG2-OD2 3.44Å; T10-D68 PolarHBondContact N-OD2 3.45Å; T10-D68 VanDerWaalsContact N-OD2 3.15Å; T10-D68 PolarHBondContact OG1-OD2 3.14Å; Q64-D68 WeakPolarHBondContact O-CB 3.47Å; Q64-D68 PolarHBondContact O-N 3.46Å; I65-D68 PolarHBondContact O-N 3.14Å
69F92.9Very high93.1Very high6 Ų648 Ų483%0.02625%0.254CS..SBendtrans-73135.2-179.1-87.7-90.8000111.9I9 V12 I65 K71 Y92 L96 L151 V154 R155I9-F69 HydrophobicContact CD1-CD1 4.37Å; I9-F69 HydrophobicContact CG2-CD2 3.94Å; I9-F69 HydrophobicContact CG2-CE2 3.72Å; I9-F69 HydrophobicContact CG2-CZ 4.11Å; V12-F69 HydrophobicContact CG2-CE2 3.7Å; V12-F69 HydrophobicContact CG2-CZ 4.05Å; I65-F69 HydrophobicContact CG2-CD2 4.02Å; I65-F69 HydrophobicContact CG2-CE2 4.01Å; I65-F69 VanDerWaalsContact O-CD2 3.28Å; I65-F69 WeakPolarHBondContact O-CD2 3.48Å; I65-F69 PolarHBondContact O-N 3.43Å; F69-K71 PolarHBondContact O-N 3.27Å; F69-Y92 WeakPolarHBondContact CB-OH 2.93Å; F69-Y92 AromaticContact CD1-CE2 3.83Å; F69-Y92 HydrophobicContact CD1-CE2 3.83Å; F69-Y92 WeakPolarHBondContact CD1-OH 3.41Å; F69-Y92 HydrophobicContact CE1-CE2 4.37Å; F69-L96 HydrophobicContact CB-CD1 4.24Å; F69-L96 HydrophobicContact CB-CD2 4.11Å; F69-L96 HydrophobicContact CD2-CD2 4.48Å; F69-L96 HydrophobicContact CG-CD2 4.25Å; F69-L151 HydrophobicContact CD1-CD2 4.26Å; F69-L151 HydrophobicContact CE1-CD2 3.91Å; F69-L151 HydrophobicContact CE2-CB 4.42Å; F69-L151 HydrophobicContact CZ-CB 3.91Å; F69-L151 HydrophobicContact CZ-CD2 4.03Å; F69-L151 HydrophobicContact CZ-CG 4.49Å; F69-L151 WeakPolarHBondContact CZ-O 3.43Å; F69-V154 HydrophobicContact CE1-CG1 4.23Å; F69-R155 HydrophobicContact CE1-CB 4.42Å; F69-R155 HydrophobicContact CZ-CB 3.96Å
70P91Very high92.8Very high23 Ų2346.5 Ų46.515%0.14925%0.25CC..PPolyproline II helixtrans-65.6135.5179.925-32.1000111.3F6 L72 I75 M83 Y92 L158F6-P70 HydrophobicContact CD1-CG 4.43Å; F6-P70 HydrophobicContact CE1-CB 4.43Å; F6-P70 HydrophobicContact CE1-CG 4.27Å; P70-L72 PolarHBondContact O-N 3.35Å; P70-I75 HydrophobicContact CB-CD1 4.03Å; P70-M83 HydrophobicContact CB-CE 4.22Å; P70-M83 HydrophobicContact CG-CE 3.55Å; P70-M83 HydrophobicContact CG-SD 4.15Å; P70-Y92 WeakPolarHBondContact CD-OH 3.39Å; P70-Y92 WeakPolarHBondContact O-CE1 3.37Å; P70-Y92 PolarHBondContact O-OH 3.18Å; P70-L158 HydrophobicContact CG-CD2 4.07Å
71K89.5Confident92.6Very high144 Ų14445.9 Ų45.963%0.62625%0.247SC*.PPolyproline II helixtrans-79.9116.1170.7-65-179.8-178.7-179.80109F69 D73 D74 I75F69-K71 PolarHBondContact O-N 3.27Å; K71-D73 PolarHBondContact O-N 2.88Å; K71-D74 HydrophobicContact CB-CB 4.25Å; K71-D74 VanDerWaalsContact CD-OD2 3.28Å; K71-D74 WeakPolarHBondContact CD-OD2 3.48Å; K71-D74 PolarHBondContact O-N 3.17Å; K71-I75 PolarHBondContact O-N 3.39Å
72L88.1Confident92.4Very high8 Ų843.5 Ų43.54%0.04224%0.238CC..THydrogen-bonded Turntrans-63.2-27.8-175.3-57.2-175.8000113.4P70 I75 A80 M83 K89 Y92P70-L72 PolarHBondContact O-N 3.35Å; L72-I75 WeakPolarHBondContact O-CG2 3.47Å; L72-A80 WeakPolarHBondContact O-CB 3.48Å; L72-M83 HydrophobicContact CD2-CB 3.64Å; L72-M83 HydrophobicContact CD2-CG 4.01Å; L72-M83 HydrophobicContact CD2-SD 3.16Å; L72-M83 WeakPolarHBondContact CD2-SD 3.23Å; L72-K89 HydrophobicContact CD1-CB 4.16Å; L72-K89 HydrophobicContact CD1-CG 3.91Å; L72-Y92 HydrophobicContact CD1-CD1 3.43Å; L72-Y92 VanDerWaalsContact CD1-CD1 3.43Å; L72-Y92 HydrophobicContact CD1-CE1 3.95Å; L72-Y92 HydrophobicContact CD1-CG 4.01Å; L72-Y92 HydrophobicContact CD2-CD1 4.33Å; L72-Y92 HydrophobicContact CD2-CE1 4.03Å; L72-Y92 HydrophobicContact CG-CD1 3.7Å; L72-Y92 HydrophobicContact CG-CE1 3.66Å
73D88.5Confident92.2Very high100 Ų10043.7 Ų43.754%0.53524%0.239SC..THydrogen-bonded Turntrans-81.7-22.2-178.6-54.7-45.6000112.9K71 K89 K93K71-D73 PolarHBondContact O-N 2.88Å; D73-K89 WeakPolarHBondContact OD1-CE 3.11Å; D73-K89 IonicContact OD1-NZ 3.55Å; D73-K89 PolarHBondContact OD1-NZ 3.03Å; D73-K93 WeakPolarHBondContact OD1-CE 3.46Å; D73-K93 IonicContact OD1-NZ 3.48Å; D73-K93 PolarHBondContact OD1-NZ 3.24Å; D73-K93 VanDerWaalsContact OD2-CE 3.28Å; D73-K93 WeakPolarHBondContact OD2-CE 3.45Å; D73-K93 IonicContact OD2-NZ 2.85Å; D73-K93 PolarHBondContact OD2-NZ 3.44Å
74D89Confident92Very high124 Ų12445.4 Ų45.466%0.66325%0.245SC*.THydrogen-bonded Turntrans-99.8-6.7-178.8-63.8-31000112.5K71K71-D74 HydrophobicContact CB-CB 4.25Å; K71-D74 VanDerWaalsContact CD-OD2 3.28Å; K71-D74 WeakPolarHBondContact CD-OD2 3.48Å; K71-D74 PolarHBondContact O-N 3.17Å
75I88.7Confident91.8Very high17 Ų1743.6 Ų43.69%0.08724%0.238CC..SBendtrans-85.5161.5-179.2-150169000110.9Y4 F6 P70 K71 L72 Y79 A80 M83Y4-I75 HydrophobicContact CD1-CD1 3.8Å; Y4-I75 HydrophobicContact CD1-CG1 3.81Å; Y4-I75 HydrophobicContact CE1-CD1 3.92Å; Y4-I75 HydrophobicContact CE1-CG1 3.36Å; Y4-I75 HydrophobicContact CE2-CG1 4.32Å; Y4-I75 HydrophobicContact CG-CD1 4.29Å; Y4-I75 HydrophobicContact CG-CG1 4.46Å; F6-I75 HydrophobicContact CE1-CD1 4.05Å; F6-I75 HydrophobicContact CZ-CD1 4.15Å; P70-I75 HydrophobicContact CB-CD1 4.03Å; K71-I75 PolarHBondContact O-N 3.39Å; L72-I75 WeakPolarHBondContact O-CG2 3.47Å; I75-Y79 HydrophobicContact CD1-CG 4.35Å; I75-A80 HydrophobicContact CG2-CB 3.71Å; I75-M83 HydrophobicContact CD1-CE 4.18Å; I75-M83 HydrophobicContact CD1-SD 4.41Å
76H91Very high91.7Very high47 Ų4745.7 Ų45.722%0.21825%0.248CC..  trans-57.2138.1176.2-173.8-80.5000110.9Y4 F78 Y79 A80 P166Y4-H76 HydrophobicContact CE2-CB 4.08Å; Y4-H76 PolarHBondContact OH-N 3.22Å; H76-F78 VanDerWaalsContact C-N 3.26Å; H76-F78 VanDerWaalsContact ND1-CB 3.34Å; H76-F78 WeakPolarHBondContact ND1-CB 3.38Å; H76-F78 PolarHBondContact ND1-N 3.42Å; H76-F78 VanDerWaalsContact ND1-N 3.15Å; H76-F78 PolarHBondContact O-N 3.12Å; H76-F78 VanDerWaalsContact O-N 3.08Å; H76-Y79 HydrophobicContact CB-CD2 4.48Å; H76-Y79 PolarHBondContact O-N 3.15Å; H76-A80 PolarHBondContact O-N 3.46Å; H76-A80 VanDerWaalsContact O-N 3.07Å; H76-P166 HydrophobicContact CB-CG 4.48Å
77P92.2Very high91.5Very high69 Ų6944.8 Ų44.845%0.44824%0.243SC..Hα-helixtrans-47.2-43.3-177.2-32.536.2000114.6Y79 A80 D81P77-Y79 PolarHBondContact O-N 3.38Å; P77-A80 WeakPolarHBondContact O-CB 3.25Å; P77-A80 PolarHBondContact O-N 3.46Å; P77-A80 VanDerWaalsContact O-N 3.13Å; P77-D81 PolarHBondContact O-N 2.97Å
78F93.4Very high91.5Very high0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-46.7-51.8171.5175.2-113000114.2H76 L82 I164 P166 L205 T242 A243 H246 L247H76-F78 VanDerWaalsContact C-N 3.26Å; H76-F78 VanDerWaalsContact ND1-CB 3.34Å; H76-F78 WeakPolarHBondContact ND1-CB 3.38Å; H76-F78 PolarHBondContact ND1-N 3.42Å; H76-F78 VanDerWaalsContact ND1-N 3.15Å; H76-F78 PolarHBondContact O-N 3.12Å; H76-F78 VanDerWaalsContact O-N 3.08Å; F78-L82 HydrophobicContact CE1-CD2 4.45Å; F78-L82 HydrophobicContact CZ-CD2 4.24Å; F78-L82 WeakPolarHBondContact O-CB 3.16Å; F78-L82 PolarHBondContact O-N 2.82Å; F78-I164 HydrophobicContact CE1-CB 4.04Å; F78-I164 HydrophobicContact CE1-CD1 4.04Å; F78-I164 HydrophobicContact CE1-CG2 4.22Å; F78-I164 HydrophobicContact CZ-CD1 3.8Å; F78-P166 HydrophobicContact CB-CB 4.44Å; F78-L205 HydrophobicContact CE2-CD1 4.33Å; F78-L205 HydrophobicContact CZ-CD1 3.99Å; F78-T242 HydrophobicContact CD2-CG2 4.16Å; F78-T242 HydrophobicContact CE2-CG2 4.44Å; F78-A243 HydrophobicContact CE2-CB 4.25Å; F78-H246 HydrophobicContact CB-CB 3.7Å; F78-H246 HydrophobicContact CD2-CB 4.02Å; F78-H246 HydrophobicContact CG-CB 4.33Å; F78-L247 HydrophobicContact CD1-CD2 4.26Å; F78-L247 HydrophobicContact CD2-CD2 3.98Å; F78-L247 HydrophobicContact CD2-CG 4.18Å; F78-L247 HydrophobicContact CE1-CD2 4.3Å; F78-L247 HydrophobicContact CE2-CD1 4.28Å; F78-L247 HydrophobicContact CE2-CD2 4.03Å; F78-L247 HydrophobicContact CE2-CG 4.05Å; F78-L247 HydrophobicContact CG-CD2 4.1Å; F78-L247 HydrophobicContact CZ-CD1 4.49Å; F78-L247 HydrophobicContact CZ-CD2 4.18Å
79Y92.6Very high91.5Very high2 Ų245.3 Ų45.31%0.00824%0.235CC..Hα-helixtrans-76.8-31.9-179.2-76.3-70.8000112.1Y4 F6 I75 H76 P77 L82 M83 I164Y4-Y79 AromaticContact CD2-CD2 3.56Å; Y4-Y79 HydrophobicContact CD2-CD2 3.56Å; Y4-Y79 AromaticContact CD2-CE2 3.39Å; Y4-Y79 HydrophobicContact CD2-CE2 3.39Å; Y4-Y79 AromaticContact CE2-CD2 3.8Å; Y4-Y79 HydrophobicContact CE2-CD2 3.8Å; Y4-Y79 AromaticContact CE2-CE2 3.95Å; Y4-Y79 HydrophobicContact CE2-CE2 3.95Å; Y4-Y79 HydrophobicContact CG-CD2 4.3Å; Y4-Y79 HydrophobicContact CG-CE2 4.25Å; F6-Y79 AromaticContact CE2-CD1 3.82Å; F6-Y79 HydrophobicContact CE2-CD1 3.82Å; F6-Y79 AromaticContact CE2-CE1 3.61Å; F6-Y79 HydrophobicContact CE2-CE1 3.61Å; F6-Y79 AromaticContact CZ-CD1 3.72Å; F6-Y79 HydrophobicContact CZ-CD1 3.72Å; F6-Y79 AromaticContact CZ-CE1 3.9Å; F6-Y79 HydrophobicContact CZ-CE1 3.9Å; F6-Y79 HydrophobicContact CZ-CG 4.2Å; I75-Y79 HydrophobicContact CD1-CG 4.35Å; H76-Y79 HydrophobicContact CB-CD2 4.48Å; H76-Y79 PolarHBondContact O-N 3.15Å; P77-Y79 PolarHBondContact O-N 3.38Å; Y79-L82 HydrophobicContact CD1-CD2 4.49Å; Y79-M83 VanDerWaalsContact O-CB 3.24Å; Y79-M83 WeakPolarHBondContact O-CB 3.19Å; Y79-M83 WeakPolarHBondContact O-CG 3.49Å; Y79-M83 PolarHBondContact O-N 2.71Å; Y79-I164 PolarHBondContact OH-N 3.33Å; Y79-I164 PolarHBondContact OH-O 3.18Å
80A92.1Very high91.6Very high17 Ų1750 Ų5014%0.1426%0.261CS..Hα-helixtrans-61.1-48.1176.700000110.7L72 I75 H76 P77 M83 N84L72-A80 WeakPolarHBondContact O-CB 3.48Å; I75-A80 HydrophobicContact CG2-CB 3.71Å; H76-A80 PolarHBondContact O-N 3.46Å; H76-A80 VanDerWaalsContact O-N 3.07Å; P77-A80 WeakPolarHBondContact O-CB 3.25Å; P77-A80 PolarHBondContact O-N 3.46Å; P77-A80 VanDerWaalsContact O-N 3.13Å; A80-M83 PolarHBondContact O-N 3.15Å; A80-N84 WeakPolarHBondContact O-CB 3.46Å; A80-N84 PolarHBondContact O-N 3.16Å
81D93.2Very high91.8Very high65 Ų6553.1 Ų53.135%0.34827%0.273SS..Hα-helixtrans-73.2-37.7-179.6-70.7-0.1000111.7P77 M83 N84 I85 T242 H246P77-D81 PolarHBondContact O-N 2.97Å; D81-M83 VanDerWaalsContact C-N 3.32Å; D81-M83 PolarHBondContact O-N 3.32Å; D81-N84 WeakPolarHBondContact O-CB 3.23Å; D81-N84 PolarHBondContact O-N 3.11Å; D81-I85 WeakPolarHBondContact O-CD1 3.24Å; D81-I85 WeakPolarHBondContact O-CG1 3.42Å; D81-I85 PolarHBondContact O-N 3.31Å; D81-T242 HydrophobicContact CB-CG2 3.73Å; D81-H246 IonicContact OD2-CD2 2.95Å; D81-H246 IonicContact OD2-CE1 3.48Å; D81-H246 PolarHBondContact OD2-CE1 3.37Å; D81-H246 IonicContact OD2-NE2 3.95Å; D81-H246 PolarHBondContact OD2-NE2 3.12Å
82L92.7Very high92.1Very high8 Ų846.5 Ų46.54%0.04224%0.244CC..Hα-helixtrans-61.7-42.1173.8-177.363.7000111.3F78 Y79 N84 I85 L86 Q239 T242F78-L82 HydrophobicContact CE1-CD2 4.45Å; F78-L82 HydrophobicContact CZ-CD2 4.24Å; F78-L82 WeakPolarHBondContact O-CB 3.16Å; F78-L82 PolarHBondContact O-N 2.82Å; Y79-L82 HydrophobicContact CD1-CD2 4.49Å; L82-N84 VanDerWaalsContact C-N 3.35Å; L82-I85 PolarHBondContact O-N 3.23Å; L82-L86 HydrophobicContact CD1-CD1 4.12Å; L82-L86 HydrophobicContact CD1-CG 4.42Å; L82-L86 HydrophobicContact CG-CD1 4.02Å; L82-L86 WeakPolarHBondContact O-CB 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 3.43Å; L82-Q239 HydrophobicContact CD1-CB 4.19Å; L82-Q239 HydrophobicContact CD1-CG 3.79Å; L82-T242 HydrophobicContact CB-CG2 4.31Å
83M92.1Very high92.5Very high4 Ų449.8 Ų49.82%0.0226%0.258CS..Hα-helixtrans-69.4-33175.3-74.1170.9172.700112.2F6 P70 L72 I75 Y79 A80 D81 L86 Y87 L158F6-M83 HydrophobicContact CD1-CE 4.19Å; F6-M83 HydrophobicContact CE1-CE 3.49Å; F6-M83 VanDerWaalsContact CE1-CE 3.49Å; F6-M83 HydrophobicContact CE2-CE 4.26Å; F6-M83 HydrophobicContact CZ-CE 3.53Å; P70-M83 HydrophobicContact CB-CE 4.22Å; P70-M83 HydrophobicContact CG-CE 3.55Å; P70-M83 HydrophobicContact CG-SD 4.15Å; L72-M83 HydrophobicContact CD2-CB 3.64Å; L72-M83 HydrophobicContact CD2-CG 4.01Å; L72-M83 HydrophobicContact CD2-SD 3.16Å; L72-M83 WeakPolarHBondContact CD2-SD 3.23Å; I75-M83 HydrophobicContact CD1-CE 4.18Å; I75-M83 HydrophobicContact CD1-SD 4.41Å; Y79-M83 VanDerWaalsContact O-CB 3.24Å; Y79-M83 WeakPolarHBondContact O-CB 3.19Å; Y79-M83 WeakPolarHBondContact O-CG 3.49Å; Y79-M83 PolarHBondContact O-N 2.71Å; A80-M83 PolarHBondContact O-N 3.15Å; D81-M83 VanDerWaalsContact C-N 3.32Å; D81-M83 PolarHBondContact O-N 3.32Å; M83-L86 PolarHBondContact O-N 3.26Å; M83-Y87 HydrophobicContact CB-CD2 4.11Å; M83-Y87 HydrophobicContact CG-CD2 4.13Å; M83-Y87 HydrophobicContact CG-CE2 4.17Å; M83-Y87 WeakPolarHBondContact O-CB 3.47Å; M83-Y87 PolarHBondContact O-N 3.04Å; M83-L158 HydrophobicContact CE-CD1 3.44Å; M83-L158 VanDerWaalsContact CE-CD1 3.44Å; M83-L158 HydrophobicContact CE-CD2 4.14Å; M83-L158 HydrophobicContact CE-CG 4.39Å
84N93.6Very high92.8Very high71 Ų7150.4 Ų50.438%0.3826%0.26SS..Hα-helixtrans-60.4-46.8173.3-172.637.4000110.9A80 D81 L82 D88 K89A80-N84 WeakPolarHBondContact O-CB 3.46Å; A80-N84 PolarHBondContact O-N 3.16Å; D81-N84 WeakPolarHBondContact O-CB 3.23Å; D81-N84 PolarHBondContact O-N 3.11Å; L82-N84 VanDerWaalsContact C-N 3.35Å; N84-D88 WeakPolarHBondContact O-CA 3.41Å; N84-D88 PolarHBondContact O-N 3.31Å; N84-D88 VanDerWaalsContact O-N 3.11Å; N84-K89 HydrophobicContact CB-CB 4.29Å; N84-K89 WeakPolarHBondContact OD1-CB 3.48Å; N84-K89 PolarHBondContact OD1-N 2.92Å
85I92.4Very high93.2Very high31 Ų3144.6 Ų44.616%0.15923%0.23CC..Hα-helixtrans-66.9-41.4179-67.6157.7000111.9D81 L82 T235 M238 Q239 T242D81-I85 WeakPolarHBondContact O-CD1 3.24Å; D81-I85 WeakPolarHBondContact O-CG1 3.42Å; D81-I85 PolarHBondContact O-N 3.31Å; L82-I85 PolarHBondContact O-N 3.23Å; I85-T235 WeakPolarHBondContact CG2-O 3.35Å; I85-M238 HydrophobicContact CD1-CB 3.8Å; I85-M238 HydrophobicContact CG1-CB 4.11Å; I85-M238 HydrophobicContact CG2-CB 3.93Å; I85-Q239 HydrophobicContact CG2-CG 4.34Å; I85-T242 WeakPolarHBondContact CD1-OG1 3.06Å
86L92Very high93.6Very high44 Ų4445 Ų4523%0.2323%0.232CC..Hα-helixtrans-80.2-37.1-173.7-71.9176.1000114L82 M83 L161 Q239L82-L86 HydrophobicContact CD1-CD1 4.12Å; L82-L86 HydrophobicContact CD1-CG 4.42Å; L82-L86 HydrophobicContact CG-CD1 4.02Å; L82-L86 WeakPolarHBondContact O-CB 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 3.43Å; M83-L86 PolarHBondContact O-N 3.26Å; L86-L161 HydrophobicContact CD1-CD1 4.1Å; L86-L161 HydrophobicContact CD1-CD2 4.07Å; L86-Q239 HydrophobicContact CD2-CG 4.38Å
87Y91.5Very high93.8Very high23 Ų2344.3 Ų44.39%0.0924%0.237CC..Hα-helixtrans-121.7-5.5-166.8-54.5-55.8000114.4M83 Y150 V154 H157 L158M83-Y87 HydrophobicContact CB-CD2 4.11Å; M83-Y87 HydrophobicContact CG-CD2 4.13Å; M83-Y87 HydrophobicContact CG-CE2 4.17Å; M83-Y87 WeakPolarHBondContact O-CB 3.47Å; M83-Y87 PolarHBondContact O-N 3.04Å; Y87-Y150 PolarHBondContact O-OH 2.96Å; Y87-V154 HydrophobicContact CD1-CB 4.26Å; Y87-V154 HydrophobicContact CD1-CG1 3.94Å; Y87-V154 HydrophobicContact CD1-CG2 3.76Å; Y87-V154 HydrophobicContact CD2-CG1 4.08Å; Y87-V154 HydrophobicContact CE1-CB 4.35Å; Y87-V154 HydrophobicContact CE1-CG1 3.99Å; Y87-V154 HydrophobicContact CE1-CG2 4.31Å; Y87-V154 HydrophobicContact CE2-CG1 4.14Å; Y87-V154 HydrophobicContact CG-CG1 3.97Å; Y87-V154 HydrophobicContact CG-CG2 4.16Å; Y87-H157 HydrophobicContact CE1-CB 4.02Å; Y87-H157 AromaticContact CE1-ND1 3.41Å; Y87-H157 WeakPolarHBondContact CE1-ND1 3.24Å; Y87-H157 AromaticContact CZ-ND1 3.44Å; Y87-H157 PolarHBondContact OH-ND1 2.66Å; Y87-L158 HydrophobicContact CE2-CD1 3.71Å; Y87-L158 WeakPolarHBondContact OH-CA 3.42Å; Y87-L158 PolarHBondContact OH-N 3.1Å; Y87-L158 VanDerWaalsContact OH-N 3.15Å
88D92.8Very high94Very high78 Ų7844.9 Ų44.942%0.41723%0.234SC..  trans58.8111.8-166.1176.211.9000111.9N84 D90 H91 Y92N84-D88 WeakPolarHBondContact O-CA 3.41Å; N84-D88 PolarHBondContact O-N 3.31Å; N84-D88 VanDerWaalsContact O-N 3.11Å; D88-D90 PolarHBondContact O-N 3.38Å; D88-D90 PolarHBondContact OD1-N 3.47Å; D88-H91 HydrophobicContact CB-CB 4.2Å; D88-H91 PolarHBondContact O-N 3.3Å; D88-Y92 VanDerWaalsContact O-CB 3.32Å; D88-Y92 WeakPolarHBondContact O-CB 3.33Å; D88-Y92 PolarHBondContact O-N 3.1Å
89K92.9Very high94.2Very high70 Ų7045 Ų4530%0.30423%0.234SC..Hα-helixtrans-57-37-179175.9176.7-178.2174.90112L72 D73 N84 K93L72-K89 HydrophobicContact CD1-CB 4.16Å; L72-K89 HydrophobicContact CD1-CG 3.91Å; D73-K89 WeakPolarHBondContact OD1-CE 3.11Å; D73-K89 IonicContact OD1-NZ 3.55Å; D73-K89 PolarHBondContact OD1-NZ 3.03Å; N84-K89 HydrophobicContact CB-CB 4.29Å; N84-K89 WeakPolarHBondContact OD1-CB 3.48Å; N84-K89 PolarHBondContact OD1-N 2.92Å; K89-K93 VanDerWaalsContact CE-CE 3.4Å; K89-K93 VanDerWaalsContact CE-NZ 3.29Å; K89-K93 HydrophobicContact CG-CD 4.31Å; K89-K93 WeakPolarHBondContact O-CB 3.37Å; K89-K93 WeakPolarHBondContact O-CG 3.08Å; K89-K93 PolarHBondContact O-N 3.28Å
90D94.5Very high94.4Very high106 Ų10648.1 Ų48.157%0.56725%0.251SS*.Hα-helixtrans-74.2-46.2-174.9-70.9-24.6000110.6D88 Y92 K93 L94D88-D90 PolarHBondContact O-N 3.38Å; D88-D90 PolarHBondContact OD1-N 3.47Å; D90-Y92 VanDerWaalsContact C-N 3.31Å; D90-Y92 PolarHBondContact O-N 3.14Å; D90-K93 PolarHBondContact O-N 2.87Å; D90-L94 WeakPolarHBondContact O-CB 3.49Å; D90-L94 VanDerWaalsContact O-CG 3.22Å; D90-L94 WeakPolarHBondContact O-CG 3.3Å; D90-L94 PolarHBondContact O-N 3.01Å
91H95.7Very high94.7Very high87 Ų8751.8 Ų51.840%0.40327%0.267SS..Hα-helixtrans-60.6-42.3174.1-159.387.4000111.9D88 L94 A95 Y150D88-H91 HydrophobicContact CB-CB 4.2Å; D88-H91 PolarHBondContact O-N 3.3Å; H91-L94 PolarHBondContact O-N 2.77Å; H91-A95 WeakPolarHBondContact O-CB 3.44Å; H91-A95 PolarHBondContact O-N 3.34Å; H91-Y150 AromaticContact CD2-CD1 3.69Å; H91-Y150 AromaticContact CD2-CD2 3.48Å; H91-Y150 VanDerWaalsContact CD2-CD2 3.48Å; H91-Y150 WeakPolarHBondContact CD2-CD2 3.44Å; H91-Y150 AromaticContact CD2-CE1 3.63Å; H91-Y150 AromaticContact CD2-CE2 3.39Å; H91-Y150 WeakPolarHBondContact CD2-CE2 3.33Å; H91-Y150 AromaticContact CD2-CG 3.61Å; H91-Y150 AromaticContact CD2-CZ 3.46Å; H91-Y150 VanDerWaalsContact CD2-CZ 3.46Å; H91-Y150 AromaticContact NE2-CD2 3.76Å; H91-Y150 AromaticContact NE2-CG 3.7Å
92Y95.6Very high94.9Very high6 Ų648.7 Ų48.72%0.02425%0.251CS..Hα-helixtrans-59.6-48.8177.1-177.3-94000112.6F69 P70 L72 D88 D90 A95 L96 Y150 V154F69-Y92 WeakPolarHBondContact CB-OH 2.93Å; F69-Y92 AromaticContact CD1-CE2 3.83Å; F69-Y92 HydrophobicContact CD1-CE2 3.83Å; F69-Y92 WeakPolarHBondContact CD1-OH 3.41Å; F69-Y92 HydrophobicContact CE1-CE2 4.37Å; P70-Y92 WeakPolarHBondContact CD-OH 3.39Å; P70-Y92 WeakPolarHBondContact O-CE1 3.37Å; P70-Y92 PolarHBondContact O-OH 3.18Å; L72-Y92 HydrophobicContact CD1-CD1 3.43Å; L72-Y92 VanDerWaalsContact CD1-CD1 3.43Å; L72-Y92 HydrophobicContact CD1-CE1 3.95Å; L72-Y92 HydrophobicContact CD1-CG 4.01Å; L72-Y92 HydrophobicContact CD2-CD1 4.33Å; L72-Y92 HydrophobicContact CD2-CE1 4.03Å; L72-Y92 HydrophobicContact CG-CD1 3.7Å; L72-Y92 HydrophobicContact CG-CE1 3.66Å; D88-Y92 VanDerWaalsContact O-CB 3.32Å; D88-Y92 WeakPolarHBondContact O-CB 3.33Å; D88-Y92 PolarHBondContact O-N 3.1Å; D90-Y92 VanDerWaalsContact C-N 3.31Å; D90-Y92 PolarHBondContact O-N 3.14Å; Y92-A95 PolarHBondContact O-N 3.33Å; Y92-L96 HydrophobicContact CD1-CD1 4.03Å; Y92-L96 HydrophobicContact CE1-CD1 3.41Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.41Å; Y92-L96 HydrophobicContact CE1-CG 4.44Å; Y92-L96 HydrophobicContact CE2-CD1 4.48Å; Y92-L96 PolarHBondContact O-N 3.27Å; Y92-L96 VanDerWaalsContact O-N 3.13Å; Y92-Y150 WeakPolarHBondContact CA-OH 3.43Å; Y92-Y150 HydrophobicContact CD2-CE1 4.44Å; Y92-Y150 PolarHBondContact N-OH 3.44Å; Y92-V154 HydrophobicContact CD2-CG1 4.29Å; Y92-V154 HydrophobicContact CE2-CG1 4.1Å
93K95.6Very high95.2Very high77 Ų7749.7 Ų49.734%0.33526%0.255SS..Hα-helixtrans-66.7-41.1178.7-76.8-173-179.3-167.20112.2D73 K89 D90 A95 L96 G97D73-K93 WeakPolarHBondContact OD1-CE 3.46Å; D73-K93 IonicContact OD1-NZ 3.48Å; D73-K93 PolarHBondContact OD1-NZ 3.24Å; D73-K93 VanDerWaalsContact OD2-CE 3.28Å; D73-K93 WeakPolarHBondContact OD2-CE 3.45Å; D73-K93 IonicContact OD2-NZ 2.85Å; D73-K93 PolarHBondContact OD2-NZ 3.44Å; K89-K93 VanDerWaalsContact CE-CE 3.4Å; K89-K93 VanDerWaalsContact CE-NZ 3.29Å; K89-K93 HydrophobicContact CG-CD 4.31Å; K89-K93 WeakPolarHBondContact O-CB 3.37Å; K89-K93 WeakPolarHBondContact O-CG 3.08Å; K89-K93 PolarHBondContact O-N 3.28Å; D90-K93 PolarHBondContact O-N 2.87Å; K93-A95 VanDerWaalsContact C-N 3.34Å; K93-A95 PolarHBondContact O-N 3.37Å; K93-L96 PolarHBondContact O-N 3.22Å; K93-G97 PolarHBondContact O-N 3.04Å
94L96.1Very high95.4Very high112 Ų11252.7 Ų52.759%0.58627%0.271SS*.Hα-helixtrans-62.3-42.3176.7-73.4174000111.3D90 H91 G97 Q98D90-L94 WeakPolarHBondContact O-CB 3.49Å; D90-L94 VanDerWaalsContact O-CG 3.22Å; D90-L94 WeakPolarHBondContact O-CG 3.3Å; D90-L94 PolarHBondContact O-N 3.01Å; H91-L94 PolarHBondContact O-N 2.77Å; L94-G97 PolarHBondContact O-N 2.96Å; L94-Q98 WeakPolarHBondContact O-CB 3.42Å; L94-Q98 VanDerWaalsContact O-CG 3.26Å; L94-Q98 WeakPolarHBondContact O-CG 3.23Å; L94-Q98 PolarHBondContact O-N 3.14Å
95A96.5Very high95.6Very high2 Ų252.2 Ų52.22%0.01727%0.268CS..Hα-helixtrans-61.1-50.717700000111.7H91 Y92 K93 G97 Q98 I99 Y150 L151H91-A95 WeakPolarHBondContact O-CB 3.44Å; H91-A95 PolarHBondContact O-N 3.34Å; Y92-A95 PolarHBondContact O-N 3.33Å; K93-A95 VanDerWaalsContact C-N 3.34Å; K93-A95 PolarHBondContact O-N 3.37Å; A95-G97 VanDerWaalsContact C-N 3.33Å; A95-G97 PolarHBondContact O-N 3.23Å; A95-Q98 PolarHBondContact O-N 2.95Å; A95-I99 WeakPolarHBondContact O-CG1 3.44Å; A95-I99 PolarHBondContact O-N 3.06Å; A95-I99 VanDerWaalsContact O-N 3.08Å; A95-Y150 HydrophobicContact CB-CD1 3.81Å; A95-Y150 HydrophobicContact CB-CE1 4.06Å; A95-L151 HydrophobicContact CB-CD1 4.48Å; A95-L151 HydrophobicContact CB-CD2 4.27Å; A95-L151 HydrophobicContact CB-CG 4.19Å
96L96.3Very high95.9Very high27 Ų2750.8 Ų50.814%0.14126%0.261CS..Hα-helixtrans-63.9-37.4176.1-69.2178.2000112.3L66 F69 Y92 K93 Q98 I99 N100 L151L66-L96 HydrophobicContact CD2-CB 4.33Å; L66-L96 HydrophobicContact CD2-CD2 4.27Å; L66-L96 WeakPolarHBondContact CD2-O 3.49Å; F69-L96 HydrophobicContact CB-CD1 4.24Å; F69-L96 HydrophobicContact CB-CD2 4.11Å; F69-L96 HydrophobicContact CD2-CD2 4.48Å; F69-L96 HydrophobicContact CG-CD2 4.25Å; Y92-L96 HydrophobicContact CD1-CD1 4.03Å; Y92-L96 HydrophobicContact CE1-CD1 3.41Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.41Å; Y92-L96 HydrophobicContact CE1-CG 4.44Å; Y92-L96 HydrophobicContact CE2-CD1 4.48Å; Y92-L96 PolarHBondContact O-N 3.27Å; Y92-L96 VanDerWaalsContact O-N 3.13Å; K93-L96 PolarHBondContact O-N 3.22Å; L96-Q98 PolarHBondContact O-N 2.72Å; L96-I99 PolarHBondContact O-N 3.37Å; L96-N100 PolarHBondContact O-N 2.98Å; L96-L151 HydrophobicContact CD2-CD1 4Å; L96-L151 HydrophobicContact CD2-CD2 3.96Å; L96-L151 HydrophobicContact CG-CD2 4.27Å
97G96.4Very high96.2Very high31 Ų3150.3 Ų50.332%0.3226%0.259SS..Hα-helixtrans-60-44.3174.100000112.3K93 L94 A95 I99 N100 I101K93-G97 PolarHBondContact O-N 3.04Å; L94-G97 PolarHBondContact O-N 2.96Å; A95-G97 VanDerWaalsContact C-N 3.33Å; A95-G97 PolarHBondContact O-N 3.23Å; G97-I99 PolarHBondContact O-N 3.08Å; G97-N100 PolarHBondContact O-N 2.8Å; G97-I101 WeakPolarHBondContact O-CG1 3.48Å; G97-I101 PolarHBondContact O-N 3.42Å
98Q96.9Very high96.5Very high82 Ų8253.6 Ų53.638%0.38328%0.278SS..Hα-helixtrans-63.3-38.6175.6-75173.9-0.700112.6L94 A95 L96 I101 A102 S147L94-Q98 WeakPolarHBondContact O-CB 3.42Å; L94-Q98 VanDerWaalsContact O-CG 3.26Å; L94-Q98 WeakPolarHBondContact O-CG 3.23Å; L94-Q98 PolarHBondContact O-N 3.14Å; A95-Q98 PolarHBondContact O-N 2.95Å; L96-Q98 PolarHBondContact O-N 2.72Å; Q98-I101 PolarHBondContact O-N 3.31Å; Q98-A102 WeakPolarHBondContact O-CB 3.36Å; Q98-A102 PolarHBondContact O-N 3.24Å; Q98-S147 PolarHBondContact OE1-OG 3.09Å
99I97.1Very high96.7Very high1 Ų150.2 Ų50.21%0.00526%0.26CS..Hα-helixtrans-63.9-41.4173.5-65.3-51.4000110.9L62 I65 L66 A95 L96 G97 A102 K103 Q144 L148 L151L62-I99 HydrophobicContact CB-CG2 4.41Å; L62-I99 HydrophobicContact CD2-CD1 4.46Å; L62-I99 HydrophobicContact CD2-CG2 3.76Å; I65-I99 HydrophobicContact CG2-CG2 4.4Å; L66-I99 HydrophobicContact CD1-CG2 4.33Å; L66-I99 HydrophobicContact CD2-CB 4.16Å; L66-I99 HydrophobicContact CD2-CG2 3.89Å; L66-I99 HydrophobicContact CG-CG2 3.88Å; A95-I99 WeakPolarHBondContact O-CG1 3.44Å; A95-I99 PolarHBondContact O-N 3.06Å; A95-I99 VanDerWaalsContact O-N 3.08Å; L96-I99 PolarHBondContact O-N 3.37Å; G97-I99 PolarHBondContact O-N 3.08Å; I99-A102 PolarHBondContact O-N 3.15Å; I99-K103 PolarHBondContact O-N 2.78Å; I99-Q144 HydrophobicContact CD1-CB 4.43Å; I99-L148 HydrophobicContact CD1-CD2 3.67Å; I99-L148 HydrophobicContact CD1-CG 4.07Å; I99-L151 HydrophobicContact CG1-CD1 3.88Å
100N97.4Very high96.9Very high68 Ų6847.1 Ų47.136%0.36425%0.247SC..Hα-helixtrans-65.6-42.6176.8-173.143.4000112.7L66 L96 G97 A102 K103 N104L66-N100 HydrophobicContact CD1-CB 3.95Å; L66-N100 HydrophobicContact CD2-CB 4.18Å; L96-N100 PolarHBondContact O-N 2.98Å; G97-N100 PolarHBondContact O-N 2.8Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 3.33Å; N100-K103 WeakPolarHBondContact O-CB 3.12Å; N100-K103 PolarHBondContact O-N 3.25Å; N100-K103 WeakPolarHBondContact OD1-CE 3.22Å; N100-N104 PolarHBondContact O-N 3.44Å; N100-N104 VanDerWaalsContact O-N 3.16Å; N100-N104 PolarHBondContact O-ND2 2.7Å
101I98Very high97.1Very high94 Ų9448.5 Ų48.548%0.48225%0.248SC..Hα-helixtrans-61.9-44173.8-66.1165.5000110.3G97 Q98 K103 N104 L105G97-I101 WeakPolarHBondContact O-CG1 3.48Å; G97-I101 PolarHBondContact O-N 3.42Å; Q98-I101 PolarHBondContact O-N 3.31Å; I101-K103 VanDerWaalsContact C-N 3.34Å; I101-K103 PolarHBondContact O-N 3.06Å; I101-N104 PolarHBondContact O-N 3.41Å; I101-L105 HydrophobicContact CG2-CD1 3.87Å; I101-L105 HydrophobicContact CG2-CG 4.24Å; I101-L105 WeakPolarHBondContact O-CG 3.03Å; I101-L105 PolarHBondContact O-N 3.41Å
102A97.5Very high97.2Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-60.1-42.7177.900000112.1Q98 I99 N100 N104 L105 V106 I140 Q144Q98-A102 WeakPolarHBondContact O-CB 3.36Å; Q98-A102 PolarHBondContact O-N 3.24Å; I99-A102 PolarHBondContact O-N 3.15Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 3.33Å; A102-N104 PolarHBondContact O-N 3.44Å; A102-L105 PolarHBondContact O-N 2.65Å; A102-V106 WeakPolarHBondContact O-CG2 3.04Å; A102-V106 PolarHBondContact O-N 3.48Å; A102-I140 HydrophobicContact CB-CG2 3.91Å; A102-Q144 HydrophobicContact CB-CG 3.91Å
103K97.6Very high97.3Very high30 Ų3048.4 Ų48.413%0.1325%0.249CC..Hα-helixtrans-54.8-52173.8-176.7-17565.569.80111.3L62 S63 L66 I99 N100 I101 L105 V106 D107L62-K103 HydrophobicContact CB-CB 4.1Å; L62-K103 HydrophobicContact CB-CG 4.3Å; L62-K103 HydrophobicContact CD1-CB 3.99Å; S63-K103 WeakPolarHBondContact OG-CD 3.21Å; L66-K103 HydrophobicContact CD1-CD 4.23Å; I99-K103 PolarHBondContact O-N 2.78Å; N100-K103 WeakPolarHBondContact O-CB 3.12Å; N100-K103 PolarHBondContact O-N 3.25Å; N100-K103 WeakPolarHBondContact OD1-CE 3.22Å; I101-K103 VanDerWaalsContact C-N 3.34Å; I101-K103 PolarHBondContact O-N 3.06Å; K103-L105 PolarHBondContact O-N 2.83Å; K103-V106 PolarHBondContact O-N 2.8Å; K103-D107 PolarHBondContact O-N 2.8Å; K103-D107 VanDerWaalsContact O-N 3.13Å
104N97.9Very high97.4Very high67 Ų6745.4 Ų45.436%0.35824%0.238SC..Hα-helixtrans-65.4-37.6-178.3-63.4-19.4000112.3N100 I101 A102 D107 N108N100-N104 PolarHBondContact O-N 3.44Å; N100-N104 VanDerWaalsContact O-N 3.16Å; N100-N104 PolarHBondContact O-ND2 2.7Å; I101-N104 PolarHBondContact O-N 3.41Å; A102-N104 PolarHBondContact O-N 3.44Å; N104-D107 PolarHBondContact O-N 3.32Å; N104-N108 VanDerWaalsContact O-CG 3.31Å; N104-N108 PolarHBondContact O-N 2.76Å; N104-N108 PolarHBondContact O-ND2 2.99Å
105L97.9Very high97.4Very high61 Ų6145.9 Ų45.932%0.31923%0.232SC..Hα-helixtrans-64.9-42175.6-73.7173.1000112.3I101 A102 K103 D107 N108 V109 I140I101-L105 HydrophobicContact CG2-CD1 3.87Å; I101-L105 HydrophobicContact CG2-CG 4.24Å; I101-L105 WeakPolarHBondContact O-CG 3.03Å; I101-L105 PolarHBondContact O-N 3.41Å; A102-L105 PolarHBondContact O-N 2.65Å; K103-L105 PolarHBondContact O-N 2.83Å; L105-D107 VanDerWaalsContact C-N 3.32Å; L105-D107 PolarHBondContact O-N 3.43Å; L105-N108 PolarHBondContact O-N 2.95Å; L105-V109 VanDerWaalsContact O-CG2 3.3Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 2.75Å; L105-I140 HydrophobicContact CB-CD1 3.85Å; L105-I140 HydrophobicContact CB-CG1 4.46Å; L105-I140 HydrophobicContact CB-CG2 4.3Å
106V97.7Very high97.4Very high0 Ų050.2 Ų50.20%025%0.254CS..Hα-helixtrans-61.2-43.1176.7168.30000110.9Q55 Y58 A102 K103 V109 A110 M137 I140Q55-V106 HydrophobicContact CB-CG1 4.44Å; Q55-V106 HydrophobicContact CG-CG1 4.24Å; Y58-V106 HydrophobicContact CD2-CG1 4.26Å; Y58-V106 HydrophobicContact CG-CG1 4.44Å; A102-V106 WeakPolarHBondContact O-CG2 3.04Å; A102-V106 PolarHBondContact O-N 3.48Å; K103-V106 PolarHBondContact O-N 2.8Å; V106-V109 PolarHBondContact O-N 3.38Å; V106-A110 PolarHBondContact O-N 3.02Å; V106-M137 HydrophobicContact CG1-CG 4.21Å; V106-M137 HydrophobicContact CG1-SD 4.43Å; V106-I140 HydrophobicContact CG2-CB 4.4Å; V106-I140 HydrophobicContact CG2-CD1 4.31Å; V106-I140 HydrophobicContact CG2-CG2 4.08Å
107D98Very high97.4Very high35 Ų3548.9 Ų48.919%0.18725%0.247CC..Hα-helixtrans-63.4-44178-68.6-23.5000111.8Q55 H59 K103 N104 L105 A110 K111Q55-D107 WeakPolarHBondContact CG-OD1 3.49Å; Q55-D107 PolarHBondContact NE2-OD1 3.09Å; H59-D107 IonicContact CE1-OD2 3.64Å; H59-D107 IonicContact CG-OD1 3.88Å; H59-D107 IonicContact ND1-OD1 2.72Å; H59-D107 PolarHBondContact ND1-OD1 2.79Å; H59-D107 IonicContact ND1-OD2 2.75Å; H59-D107 PolarHBondContact ND1-OD2 3.15Å; K103-D107 PolarHBondContact O-N 2.8Å; K103-D107 VanDerWaalsContact O-N 3.13Å; N104-D107 PolarHBondContact O-N 3.32Å; L105-D107 VanDerWaalsContact C-N 3.32Å; L105-D107 PolarHBondContact O-N 3.43Å; D107-A110 PolarHBondContact O-N 2.72Å; D107-K111 WeakPolarHBondContact O-CB 2.87Å; D107-K111 PolarHBondContact O-N 3.07Å
108N97.9Very high97.4Very high91 Ų9153 Ų5349%0.48726%0.256SS..Hα-helixtrans-64.2-46177.3-73.6-21.2000112.2N104 L105 A110 K111 D112N104-N108 VanDerWaalsContact O-CG 3.31Å; N104-N108 PolarHBondContact O-N 2.76Å; N104-N108 PolarHBondContact O-ND2 2.99Å; L105-N108 PolarHBondContact O-N 2.95Å; N108-A110 VanDerWaalsContact C-N 3.3Å; N108-A110 PolarHBondContact O-N 3.22Å; N108-K111 WeakPolarHBondContact O-CB 3.33Å; N108-K111 PolarHBondContact O-N 3.37Å; N108-K111 VanDerWaalsContact O-N 3.17Å; N108-D112 PolarHBondContact O-N 3.13Å
109V97.7Very high97.3Very high8 Ų857.6 Ų57.65%0.04827%0.271CS..Hα-helixtrans-56.2-47.3175.5168.90000110.2L105 V106 K111 D112 Y113 R136 M137 I140L105-V109 VanDerWaalsContact O-CG2 3.3Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 2.75Å; V106-V109 PolarHBondContact O-N 3.38Å; V109-K111 PolarHBondContact O-N 3.12Å; V109-D112 PolarHBondContact O-N 3.29Å; V109-Y113 HydrophobicContact CG1-CD2 3.75Å; V109-Y113 HydrophobicContact CG1-CE2 3.88Å; V109-Y113 VanDerWaalsContact O-CD2 3.26Å; V109-Y113 WeakPolarHBondContact O-CD2 3.48Å; V109-Y113 PolarHBondContact O-N 3.35Å; V109-R136 HydrophobicContact CG1-CB 3.98Å; V109-M137 HydrophobicContact CG1-CE 4.21Å; V109-M137 HydrophobicContact CG1-CG 4.13Å; V109-I140 HydrophobicContact CG2-CD1 3.87Å
110A97.6Very high97.1Very high4 Ų457.5 Ų57.53%0.03327%0.271CS..Hα-helixtrans-60.1-45.8178.500000112.3V51 Q55 V106 D107 N108 D112 Y113 V114 M137V51-A110 HydrophobicContact CG1-CB 4.31Å; Q55-A110 HydrophobicContact CB-CB 3.48Å; Q55-A110 VanDerWaalsContact CB-CB 3.48Å; Q55-A110 HydrophobicContact CG-CB 3.46Å; Q55-A110 VanDerWaalsContact CG-CB 3.46Å; V106-A110 PolarHBondContact O-N 3.02Å; D107-A110 PolarHBondContact O-N 2.72Å; N108-A110 VanDerWaalsContact C-N 3.3Å; N108-A110 PolarHBondContact O-N 3.22Å; A110-D112 VanDerWaalsContact C-N 3.31Å; A110-D112 PolarHBondContact O-N 3.25Å; A110-Y113 PolarHBondContact O-N 3.39Å; A110-V114 VanDerWaalsContact O-CB 3.25Å; A110-V114 WeakPolarHBondContact O-CB 3.07Å; A110-V114 WeakPolarHBondContact O-CG2 3.32Å; A110-V114 PolarHBondContact O-N 3.35Å; A110-M137 HydrophobicContact CB-CE 3.46Å; A110-M137 VanDerWaalsContact CB-CE 3.46Å
111K97.6Very high96.9Very high136 Ų13658.2 Ų58.259%0.59127%0.274SS*.Hα-helixtrans-58.1-44.1-179.7-170.1176.8-178.2179.50111.4D107 N108 V109 R115D107-K111 WeakPolarHBondContact O-CB 2.87Å; D107-K111 PolarHBondContact O-N 3.07Å; N108-K111 WeakPolarHBondContact O-CB 3.33Å; N108-K111 PolarHBondContact O-N 3.37Å; N108-K111 VanDerWaalsContact O-N 3.17Å; V109-K111 PolarHBondContact O-N 3.12Å; K111-R115 WeakPolarHBondContact O-CB 3.12Å; K111-R115 PolarHBondContact O-N 3.4Å; K111-R115 VanDerWaalsContact O-N 3.08Å
112D97.8Very high96.7Very high64 Ų6455.7 Ų55.734%0.34227%0.265SS..Hα-helixtrans-70.1-46.8-179.6-68.8-24.6000112.5N108 V109 A110 V114 R115 L116N108-D112 PolarHBondContact O-N 3.13Å; V109-D112 PolarHBondContact O-N 3.29Å; A110-D112 VanDerWaalsContact C-N 3.31Å; A110-D112 PolarHBondContact O-N 3.25Å; D112-V114 VanDerWaalsContact C-N 3.34Å; D112-V114 PolarHBondContact O-N 2.71Å; D112-R115 WeakPolarHBondContact O-CB 3.28Å; D112-R115 PolarHBondContact O-N 3.26Å; D112-R115 VanDerWaalsContact O-N 3.14Å; D112-R115 IonicContact OD1-CZ 3.88Å; D112-R115 IonicContact OD1-NH1 2.81Å; D112-R115 PolarHBondContact OD1-NH1 3.13Å; D112-L116 WeakPolarHBondContact O-CG 3.1Å; D112-L116 PolarHBondContact O-N 3.24Å
113Y97.7Very high96.6Very high26 Ų2657.7 Ų57.710%0.10228%0.276CS..Hα-helixtrans-66.8-35.2178.1-81.7-82.6000112.6V109 A110 R115 L116 M117 L129 A132 A133 R136V109-Y113 HydrophobicContact CG1-CD2 3.75Å; V109-Y113 HydrophobicContact CG1-CE2 3.88Å; V109-Y113 VanDerWaalsContact O-CD2 3.26Å; V109-Y113 WeakPolarHBondContact O-CD2 3.48Å; V109-Y113 PolarHBondContact O-N 3.35Å; A110-Y113 PolarHBondContact O-N 3.39Å; Y113-R115 VanDerWaalsContact C-N 3.29Å; Y113-R115 PolarHBondContact O-N 2.7Å; Y113-L116 PolarHBondContact O-N 3.23Å; Y113-M117 WeakPolarHBondContact O-CB 3.24Å; Y113-M117 WeakPolarHBondContact O-CG 3.43Å; Y113-M117 PolarHBondContact O-N 3.29Å; Y113-L129 HydrophobicContact CD1-CB 4.44Å; Y113-L129 HydrophobicContact CD1-CD2 4.14Å; Y113-L129 WeakPolarHBondContact CD1-O 3.26Å; Y113-L129 HydrophobicContact CE1-CD2 4.22Å; Y113-A132 HydrophobicContact CE1-CB 3.64Å; Y113-A133 HydrophobicContact CD1-CB 3.82Å; Y113-A133 HydrophobicContact CD2-CB 3.72Å; Y113-A133 HydrophobicContact CE1-CB 4.42Å; Y113-A133 HydrophobicContact CE2-CB 4.35Å; Y113-A133 HydrophobicContact CG-CB 3.45Å; Y113-A133 VanDerWaalsContact CG-CB 3.45Å; Y113-R136 WeakPolarHBondContact OH-CD 3.47Å; Y113-R136 PolarHBondContact OH-NH1 3.37Å
114V97.1Very high96.6Very high15 Ų1563.8 Ų63.89%0.09130%0.299CS..Hα-helixtrans-64.6-36.6173.6170.30000110.8M48 V51 K52 A110 D112M48-V114 HydrophobicContact CE-CG1 3.62Å; V51-V114 HydrophobicContact CB-CG2 4.49Å; V51-V114 HydrophobicContact CG1-CG2 4.17Å; K52-V114 HydrophobicContact CG-CG2 3.85Å; A110-V114 VanDerWaalsContact O-CB 3.25Å; A110-V114 WeakPolarHBondContact O-CB 3.07Å; A110-V114 WeakPolarHBondContact O-CG2 3.32Å; A110-V114 PolarHBondContact O-N 3.35Å; D112-V114 VanDerWaalsContact C-N 3.34Å; D112-V114 PolarHBondContact O-N 2.71Å
115R97.1Very high96.5Very high122 Ų12266.7 Ų66.746%0.4631%0.305SS..Hα-helixtrans-65.7-47.8173.5-168.5-173.2-64.6118.5-3.5111.2K111 D112 Y113 M117 K118K111-R115 WeakPolarHBondContact O-CB 3.12Å; K111-R115 PolarHBondContact O-N 3.4Å; K111-R115 VanDerWaalsContact O-N 3.08Å; D112-R115 WeakPolarHBondContact O-CB 3.28Å; D112-R115 PolarHBondContact O-N 3.26Å; D112-R115 VanDerWaalsContact O-N 3.14Å; D112-R115 IonicContact OD1-CZ 3.88Å; D112-R115 IonicContact OD1-NH1 2.81Å; D112-R115 PolarHBondContact OD1-NH1 3.13Å; Y113-R115 VanDerWaalsContact C-N 3.29Å; Y113-R115 PolarHBondContact O-N 2.7Å; R115-M117 PolarHBondContact O-N 2.88Å; R115-K118 WeakPolarHBondContact O-CB 3.23Å; R115-K118 PolarHBondContact O-N 2.9Å
116L96.5Very high96.4Very high92 Ų9263.8 Ų63.848%0.48229%0.29SS..Hα-helixtrans-63.3-37.5179.2-69.5170.6000112.8D112 Y113 K118 Y119 L129D112-L116 WeakPolarHBondContact O-CG 3.1Å; D112-L116 PolarHBondContact O-N 3.24Å; Y113-L116 PolarHBondContact O-N 3.23Å; L116-K118 PolarHBondContact O-N 3.39Å; L116-Y119 PolarHBondContact O-N 3.16Å; L116-Y119 VanDerWaalsContact O-N 3.11Å; L116-L129 HydrophobicContact CB-CD1 4.43Å; L116-L129 HydrophobicContact CB-CD2 4.34Å
117M95.5Very high96.4Very high0 Ų068.5 Ų68.50%031%0.31CS..Hα-helixtrans-62.6-21.8178.3-78.7-179-172.200113.8M48 V51 Y113 R115 Y119 G120 L129 K130M48-M117 HydrophobicContact CG-CB 3.9Å; M48-M117 HydrophobicContact CG-SD 4.03Å; V51-M117 HydrophobicContact CG2-CE 3.46Å; V51-M117 VanDerWaalsContact CG2-CE 3.46Å; V51-M117 HydrophobicContact CG2-SD 4.26Å; Y113-M117 WeakPolarHBondContact O-CB 3.24Å; Y113-M117 WeakPolarHBondContact O-CG 3.43Å; Y113-M117 PolarHBondContact O-N 3.29Å; R115-M117 PolarHBondContact O-N 2.88Å; M117-Y119 PolarHBondContact O-N 3.16Å; M117-G120 PolarHBondContact O-N 3.22Å; M117-G120 VanDerWaalsContact O-N 3.16Å; M117-L129 HydrophobicContact CE-CB 3.83Å; M117-L129 HydrophobicContact CG-CB 4.02Å; M117-L129 HydrophobicContact CG-CD1 3.95Å; M117-K130 VanDerWaalsContact CE-CA 3.47Å; M117-K130 HydrophobicContact CE-CB 3.82Å; M117-K130 VanDerWaalsContact CE-N 3.32Å
118K95.8Very high96.3Very high118 Ų11870 Ų7051%0.51332%0.316SS..THydrogen-bonded Turntrans-60.7-28.3175.1-64.9-177178.3-1760112.3R44 M48 R115 L116R44-K118 PolarHBondContact NE-O 3.2Å; R44-K118 PolarHBondContact NH1-O 2.99Å; M48-K118 HydrophobicContact CE-CG 4.47Å; R115-K118 WeakPolarHBondContact O-CB 3.23Å; R115-K118 PolarHBondContact O-N 2.9Å; L116-K118 PolarHBondContact O-N 3.39Å
119Y95.1Very high96.3Very high177 Ų17767.3 Ų67.369%0.69430%0.301SS*.THydrogen-bonded Turntrans-99.58.1-179.5-52.3-77.1000113.3L116 M117 D121L116-Y119 PolarHBondContact O-N 3.16Å; L116-Y119 VanDerWaalsContact O-N 3.11Å; M117-Y119 PolarHBondContact O-N 3.16Å; Y119-D121 PolarHBondContact O-N 3.06Å
120G93.6Very high96.3Very high0 Ų069 Ų690%031%0.308CS..  trans-65.8125.2175.300000111.5R44 M117R44-G120 PolarHBondContact NE-O 3.31Å; R44-G120 PolarHBondContact NH2-O 3.39Å; M117-G120 PolarHBondContact O-N 3.22Å; M117-G120 VanDerWaalsContact O-N 3.16Å
121D93.5Very high96.3Very high82 Ų8275.7 Ų75.744%0.43933%0.333SS..  trans-91.4-27-176.158.8-7.3000113.4I40 Y119 R125I40-D121 VanDerWaalsContact CD1-O 3.3Å; I40-D121 WeakPolarHBondContact CD1-O 3.38Å; Y119-D121 PolarHBondContact O-N 3.06Å; D121-R125 WeakPolarHBondContact OD1-CB 3.47Å; D121-R125 VanDerWaalsContact OD1-CD 3.28Å; D121-R125 WeakPolarHBondContact OD1-CD 3.43Å; D121-R125 IonicContact OD1-CZ 2.65Å; D121-R125 VanDerWaalsContact OD1-CZ 3.31Å; D121-R125 IonicContact OD1-NE 3.47Å; D121-R125 PolarHBondContact OD1-NE 3.2Å; D121-R125 IonicContact OD1-NH1 3.92Å; D121-R125 IonicContact OD1-NH2 4Å; D121-R125 IonicContact OD2-CZ 2.72Å; D121-R125 IonicContact OD2-NE 3.3Å; D121-R125 PolarHBondContact OD2-NE 3.31Å; D121-R125 IonicContact OD2-NH1 2.77Å; D121-R125 PolarHBondContact OD2-NH1 3.38Å; D121-R125 IonicContact OD2-NH2 2.87Å; D121-R125 PolarHBondContact OD2-NH2 3.39Å
122S93.8Very high96.3Very high42 Ų4271.2 Ų71.229%0.29432%0.321SS..SBendtrans-138.3159.4-168.760.60000111.7Y124 R125 C126S122-Y124 PolarHBondContact O-N 3.01Å; S122-R125 PolarHBondContact O-N 3.33Å; S122-R125 WeakPolarHBondContact OG-CB 3.33Å; S122-R125 PolarHBondContact OG-N 3.11Å; S122-C126 PolarHBondContact O-N 3.33Å; S122-C126 VanDerWaalsContact O-N 3.11Å; S122-C126 PolarHBondContact O-SG 2.53Å
123L95.7Very high96.3Very high42 Ų4268.2 Ų68.222%0.2231%0.305CS..Hα-helixtrans-57.2-39.4172.5-174.9150.5000111.4I34 K36 I43 Y47 K127I34-L123 HydrophobicContact CG2-CD1 4.27Å; K36-L123 HydrophobicContact CB-CD1 4.37Å; I43-L123 HydrophobicContact CD1-CB 4.35Å; I43-L123 HydrophobicContact CG2-CB 4.36Å; Y47-L123 HydrophobicContact CE2-CG 4.48Å; L123-K127 VanDerWaalsContact O-CB 3.23Å; L123-K127 WeakPolarHBondContact O-CB 3.21Å; L123-K127 PolarHBondContact O-N 3.28Å
124Y96.7Very high96.3Very high158 Ų15868 Ų6862%0.6231%0.305SS*.Hα-helixtrans-62.2-52179.5-177.9-101.8000111.6S122 C126 K127 Q128S122-Y124 PolarHBondContact O-N 3.01Å; Y124-C126 PolarHBondContact O-N 2.94Å; Y124-K127 WeakPolarHBondContact O-CB 3.18Å; Y124-K127 PolarHBondContact O-N 3.1Å; Y124-K127 VanDerWaalsContact O-N 3.17Å; Y124-Q128 HydrophobicContact CD1-CG 4.38Å; Y124-Q128 HydrophobicContact CE1-CG 4.03Å; Y124-Q128 HydrophobicContact CE2-CG 4.32Å; Y124-Q128 WeakPolarHBondContact O-CG 3.27Å; Y124-Q128 PolarHBondContact O-N 2.83Å; Y124-Q128 PolarHBondContact OH-NE2 3.32Å
125R95.7Very high96.3Very high128 Ų12868.8 Ų68.848%0.48332%0.317SS..Hα-helixtrans-60.6-45.2179.7-167.4178.9-66.2-172.55111.7D121 S122 K127 Q128 L129D121-R125 WeakPolarHBondContact OD1-CB 3.47Å; D121-R125 VanDerWaalsContact OD1-CD 3.28Å; D121-R125 WeakPolarHBondContact OD1-CD 3.43Å; D121-R125 IonicContact OD1-CZ 2.65Å; D121-R125 VanDerWaalsContact OD1-CZ 3.31Å; D121-R125 IonicContact OD1-NE 3.47Å; D121-R125 PolarHBondContact OD1-NE 3.2Å; D121-R125 IonicContact OD1-NH1 3.92Å; D121-R125 IonicContact OD1-NH2 4Å; D121-R125 IonicContact OD2-CZ 2.72Å; D121-R125 IonicContact OD2-NE 3.3Å; D121-R125 PolarHBondContact OD2-NE 3.31Å; D121-R125 IonicContact OD2-NH1 2.77Å; D121-R125 PolarHBondContact OD2-NH1 3.38Å; D121-R125 IonicContact OD2-NH2 2.87Å; D121-R125 PolarHBondContact OD2-NH2 3.39Å; S122-R125 PolarHBondContact O-N 3.33Å; S122-R125 WeakPolarHBondContact OG-CB 3.33Å; S122-R125 PolarHBondContact OG-N 3.11Å; R125-K127 PolarHBondContact O-N 2.85Å; R125-Q128 PolarHBondContact O-N 3.24Å; R125-L129 WeakPolarHBondContact O-CG 3.12Å; R125-L129 PolarHBondContact O-N 3.16Å
126C96.4Very high96.3Very high0 Ų068.9 Ų68.90%032%0.317CS..Hα-helixtrans-64.2-38.1176.3-66.50000112.7I43 Y47 S122 Y124 L129 K130I43-C126 HydrophobicContact CG2-CB 4.16Å; Y47-C126 HydrophobicContact CD2-CB 3.35Å; Y47-C126 HydrophobicContact CE2-CB 3.78Å; Y47-C126 HydrophobicContact CG-CB 4.15Å; S122-C126 PolarHBondContact O-N 3.33Å; S122-C126 VanDerWaalsContact O-N 3.11Å; S122-C126 PolarHBondContact O-SG 2.53Å; Y124-C126 PolarHBondContact O-N 2.94Å; C126-L129 PolarHBondContact O-N 3.11Å; C126-K130 PolarHBondContact O-N 2.52Å
127K97Very high96.4Very high98 Ų9864.5 Ų64.543%0.42629%0.294SS..Hα-helixtrans-63.6-42.4176.1-174.7178.6178.9-178.40111.4Y47 L123 Y124 R125 K130 R131Y47-K127 HydrophobicContact CE1-CB 4.26Å; Y47-K127 HydrophobicContact CE1-CG 4.48Å; Y47-K127 HydrophobicContact CE2-CB 4.5Å; L123-K127 VanDerWaalsContact O-CB 3.23Å; L123-K127 WeakPolarHBondContact O-CB 3.21Å; L123-K127 PolarHBondContact O-N 3.28Å; Y124-K127 WeakPolarHBondContact O-CB 3.18Å; Y124-K127 PolarHBondContact O-N 3.1Å; Y124-K127 VanDerWaalsContact O-N 3.17Å; R125-K127 PolarHBondContact O-N 2.85Å; K127-K130 PolarHBondContact O-N 2.72Å; K127-R131 WeakPolarHBondContact O-CG 3.43Å; K127-R131 PolarHBondContact O-N 3.39Å
128Q97Very high96.5Very high67 Ų6765.4 Ų65.431%0.31330%0.3SS..Hα-helixtrans-66-45.9177.3-66-62.5-100111.6Y124 R125 K130 R131 A132Y124-Q128 HydrophobicContact CD1-CG 4.38Å; Y124-Q128 HydrophobicContact CE1-CG 4.03Å; Y124-Q128 HydrophobicContact CE2-CG 4.32Å; Y124-Q128 WeakPolarHBondContact O-CG 3.27Å; Y124-Q128 PolarHBondContact O-N 2.83Å; Y124-Q128 PolarHBondContact OH-NE2 3.32Å; R125-Q128 PolarHBondContact O-N 3.24Å; Q128-K130 VanDerWaalsContact C-N 3.26Å; Q128-K130 PolarHBondContact O-N 3.27Å; Q128-R131 PolarHBondContact O-N 2.65Å; Q128-R131 VanDerWaalsContact O-N 3.1Å; Q128-A132 PolarHBondContact O-N 3.13Å
129L97.3Very high96.6Very high34 Ų3464.3 Ų64.318%0.17830%0.303CS..Hα-helixtrans-57.1-40.5174.2-73174.4000112Y113 L116 M117 R125 C126 A132 A133Y113-L129 HydrophobicContact CD1-CB 4.44Å; Y113-L129 HydrophobicContact CD1-CD2 4.14Å; Y113-L129 WeakPolarHBondContact CD1-O 3.26Å; Y113-L129 HydrophobicContact CE1-CD2 4.22Å; L116-L129 HydrophobicContact CB-CD1 4.43Å; L116-L129 HydrophobicContact CB-CD2 4.34Å; M117-L129 HydrophobicContact CE-CB 3.83Å; M117-L129 HydrophobicContact CG-CB 4.02Å; M117-L129 HydrophobicContact CG-CD1 3.95Å; R125-L129 WeakPolarHBondContact O-CG 3.12Å; R125-L129 PolarHBondContact O-N 3.16Å; C126-L129 PolarHBondContact O-N 3.11Å; L129-A132 PolarHBondContact O-N 2.94Å; L129-A133 WeakPolarHBondContact O-CB 3.32Å; L129-A133 PolarHBondContact O-N 2.69Å
130K97.4Very high96.7Very high43 Ų4356.7 Ų56.719%0.18728%0.275CS..Hα-helixtrans-64.5-44.5175.6179.2-87.8-52.9-175.30111.9Y47 K50 V51 M117 C126 K127 Q128 A132 A133 L134Y47-K130 HydrophobicContact CD1-CB 3.71Å; Y47-K130 HydrophobicContact CD1-CG 3.88Å; Y47-K130 HydrophobicContact CE1-CB 4.45Å; Y47-K130 HydrophobicContact CG-CB 4.28Å; K50-K130 HydrophobicContact CB-CG 4.45Å; V51-K130 HydrophobicContact CG2-CG 4.27Å; M117-K130 VanDerWaalsContact CE-CA 3.47Å; M117-K130 HydrophobicContact CE-CB 3.82Å; M117-K130 VanDerWaalsContact CE-N 3.32Å; C126-K130 PolarHBondContact O-N 2.52Å; K127-K130 PolarHBondContact O-N 2.72Å; Q128-K130 VanDerWaalsContact C-N 3.26Å; Q128-K130 PolarHBondContact O-N 3.27Å; K130-A132 VanDerWaalsContact C-N 3.35Å; K130-A133 PolarHBondContact O-N 2.97Å; K130-L134 HydrophobicContact CD-CD1 3.6Å; K130-L134 HydrophobicContact CD-CG 4.18Å; K130-L134 HydrophobicContact CG-CD1 4.33Å; K130-L134 WeakPolarHBondContact O-CG 3.22Å; K130-L134 PolarHBondContact O-N 3.14Å
131R97.2Very high96.9Very high146 Ų14656.8 Ų56.855%0.55128%0.275SS*.Hα-helixtrans-61.2-45177.7-73.8179.472.6-170.35111K127 Q128 G135K127-R131 WeakPolarHBondContact O-CG 3.43Å; K127-R131 PolarHBondContact O-N 3.39Å; Q128-R131 PolarHBondContact O-N 2.65Å; Q128-R131 VanDerWaalsContact O-N 3.1Å; R131-G135 PolarHBondContact O-N 2.82Å
132A97.7Very high97Very high42 Ų4260.1 Ų60.135%0.34729%0.286SS..Hα-helixtrans-63.2-43.517800000112.2Y113 Q128 L129 K130 G135 R136Y113-A132 HydrophobicContact CE1-CB 3.64Å; Q128-A132 PolarHBondContact O-N 3.13Å; L129-A132 PolarHBondContact O-N 2.94Å; K130-A132 VanDerWaalsContact C-N 3.35Å; A132-G135 PolarHBondContact O-N 2.98Å; A132-R136 WeakPolarHBondContact O-CB 3.37Å; A132-R136 WeakPolarHBondContact O-CG 3.36Å; A132-R136 PolarHBondContact O-N 3.23Å
133A97.9Very high97.2Very high0 Ų065.7 Ų65.70%030%0.3CS..Hα-helixtrans-59.7-52.9177.100000112.2V51 Y113 L129 K130 G135 R136 M137V51-A133 HydrophobicContact CG1-CB 3.97Å; V51-A133 HydrophobicContact CG2-CB 3.68Å; Y113-A133 HydrophobicContact CD1-CB 3.82Å; Y113-A133 HydrophobicContact CD2-CB 3.72Å; Y113-A133 HydrophobicContact CE1-CB 4.42Å; Y113-A133 HydrophobicContact CE2-CB 4.35Å; Y113-A133 HydrophobicContact CG-CB 3.45Å; Y113-A133 VanDerWaalsContact CG-CB 3.45Å; L129-A133 WeakPolarHBondContact O-CB 3.32Å; L129-A133 PolarHBondContact O-N 2.69Å; K130-A133 PolarHBondContact O-N 2.97Å; A133-G135 VanDerWaalsContact C-N 3.35Å; A133-G135 PolarHBondContact O-N 3.22Å; A133-R136 PolarHBondContact O-N 3.12Å; A133-M137 WeakPolarHBondContact O-CG 3.02Å; A133-M137 PolarHBondContact O-N 3.45Å; A133-M137 VanDerWaalsContact O-N 3.1Å
134L97.8Very high97.2Very high22 Ų2264.3 Ų64.312%0.11529%0.293CS..Hα-helixtrans-65-40.1179.7-62.9-174.4000111.6L23 T54 K130 M137 C138L23-L134 HydrophobicContact CD2-CD1 4.36Å; T54-L134 VanDerWaalsContact CB-CD2 3.47Å; T54-L134 HydrophobicContact CG2-CD2 3.52Å; T54-L134 VanDerWaalsContact OG1-CD2 3.23Å; T54-L134 WeakPolarHBondContact OG1-CD2 3.18Å; K130-L134 HydrophobicContact CD-CD1 3.6Å; K130-L134 HydrophobicContact CD-CG 4.18Å; K130-L134 HydrophobicContact CG-CD1 4.33Å; K130-L134 WeakPolarHBondContact O-CG 3.22Å; K130-L134 PolarHBondContact O-N 3.14Å; L134-M137 HydrophobicContact CD2-SD 4.41Å; L134-M137 PolarHBondContact O-N 3.09Å; L134-C138 PolarHBondContact O-N 3.05Å; L134-C138 PolarHBondContact O-SG 2.99Å
135G97.4Very high97.2Very high32 Ų3263.1 Ų63.133%0.3329%0.287SS..Hα-helixtrans-58.6-48.817600000111.9R131 A132 A133 M137 C138 T139R131-G135 PolarHBondContact O-N 2.82Å; A132-G135 PolarHBondContact O-N 2.98Å; A133-G135 VanDerWaalsContact C-N 3.35Å; A133-G135 PolarHBondContact O-N 3.22Å; G135-M137 PolarHBondContact O-N 3.34Å; G135-C138 PolarHBondContact O-N 2.93Å; G135-T139 PolarHBondContact O-N 2.98Å; G135-T139 PolarHBondContact O-OG1 3.44Å
136R97.5Very high97.2Very high123 Ų12363.8 Ų63.846%0.46430%0.296SS..Hα-helixtrans-61.8-40.6177.4-76-179.868.5-175.63112.8V109 Y113 A132 A133 T139 I140V109-R136 HydrophobicContact CG1-CB 3.98Å; Y113-R136 WeakPolarHBondContact OH-CD 3.47Å; Y113-R136 PolarHBondContact OH-NH1 3.37Å; A132-R136 WeakPolarHBondContact O-CB 3.37Å; A132-R136 WeakPolarHBondContact O-CG 3.36Å; A132-R136 PolarHBondContact O-N 3.23Å; A133-R136 PolarHBondContact O-N 3.12Å; R136-T139 PolarHBondContact O-N 3.43Å; R136-I140 WeakPolarHBondContact O-CG1 3.2Å; R136-I140 PolarHBondContact O-N 3.19Å
137M98Very high97.3Very high0 Ų064 Ų640%030%0.298CS..Hα-helixtrans-61.3-45.8173.8-67.3172.8-178.400111.5V51 T54 Q55 Y58 V106 V109 A110 A133 L134 G135 T139 I140 I141V51-M137 HydrophobicContact CG1-CE 3.9Å; T54-M137 HydrophobicContact CG2-SD 4.09Å; Q55-M137 HydrophobicContact CB-CE 3.9Å; Y58-M137 HydrophobicContact CD2-CB 4.18Å; Y58-M137 HydrophobicContact CD2-SD 4.43Å; Y58-M137 HydrophobicContact CE2-CB 3.86Å; V106-M137 HydrophobicContact CG1-CG 4.21Å; V106-M137 HydrophobicContact CG1-SD 4.43Å; V109-M137 HydrophobicContact CG1-CE 4.21Å; V109-M137 HydrophobicContact CG1-CG 4.13Å; A110-M137 HydrophobicContact CB-CE 3.46Å; A110-M137 VanDerWaalsContact CB-CE 3.46Å; A133-M137 WeakPolarHBondContact O-CG 3.02Å; A133-M137 PolarHBondContact O-N 3.45Å; A133-M137 VanDerWaalsContact O-N 3.1Å; L134-M137 HydrophobicContact CD2-SD 4.41Å; L134-M137 PolarHBondContact O-N 3.09Å; G135-M137 PolarHBondContact O-N 3.34Å; M137-T139 VanDerWaalsContact C-N 3.33Å; M137-T139 PolarHBondContact O-N 2.73Å; M137-I140 PolarHBondContact O-N 2.82Å; M137-I141 WeakPolarHBondContact O-CG1 3.43Å; M137-I141 PolarHBondContact O-N 3.13Å; M137-I141 VanDerWaalsContact O-N 3.13Å
138C97.6Very high97.3Very high19 Ų1959.5 Ų59.513%0.12828%0.278CS..Hα-helixtrans-64.3-37.6178-61.60000111.8I19 Y58 L134 G135 I141 K142I19-C138 HydrophobicContact CD1-CB 4.2Å; I19-C138 HydrophobicContact CG1-CB 4.32Å; I19-C138 HydrophobicContact CG2-CB 4.24Å; Y58-C138 PolarHBondContact OH-SG 3.34Å; L134-C138 PolarHBondContact O-N 3.05Å; L134-C138 PolarHBondContact O-SG 2.99Å; G135-C138 PolarHBondContact O-N 2.93Å; C138-I141 PolarHBondContact O-N 3.11Å; C138-K142 VanDerWaalsContact O-CB 3.29Å; C138-K142 WeakPolarHBondContact O-CB 3.49Å; C138-K142 PolarHBondContact O-N 3.23Å
139T97.8Very high97.2Very high95 Ų9560.7 Ų60.758%0.58328%0.283SS*.Hα-helixtrans-63.4-40.7174.9-56.40000112G135 R136 M137 I141 K142 R143G135-T139 PolarHBondContact O-N 2.98Å; G135-T139 PolarHBondContact O-OG1 3.44Å; R136-T139 PolarHBondContact O-N 3.43Å; M137-T139 VanDerWaalsContact C-N 3.33Å; M137-T139 PolarHBondContact O-N 2.73Å; T139-I141 VanDerWaalsContact C-N 3.35Å; T139-I141 PolarHBondContact O-N 2.86Å; T139-K142 PolarHBondContact O-N 3.23Å; T139-R143 WeakPolarHBondContact O-CB 3.37Å; T139-R143 PolarHBondContact O-N 3.45Å
140I97.5Very high97.2Very high18 Ų1860.7 Ų60.79%0.09228%0.281CS..Hα-helixtrans-60.2-46.2175.6-68.2160.1000110.3A102 L105 V106 V109 R136 M137 R143 Q144A102-I140 HydrophobicContact CB-CG2 3.91Å; L105-I140 HydrophobicContact CB-CD1 3.85Å; L105-I140 HydrophobicContact CB-CG1 4.46Å; L105-I140 HydrophobicContact CB-CG2 4.3Å; V106-I140 HydrophobicContact CG2-CB 4.4Å; V106-I140 HydrophobicContact CG2-CD1 4.31Å; V106-I140 HydrophobicContact CG2-CG2 4.08Å; V109-I140 HydrophobicContact CG2-CD1 3.87Å; R136-I140 WeakPolarHBondContact O-CG1 3.2Å; R136-I140 PolarHBondContact O-N 3.19Å; M137-I140 PolarHBondContact O-N 2.82Å; I140-R143 PolarHBondContact O-N 3Å; I140-Q144 WeakPolarHBondContact O-CG 3.49Å
141I97.2Very high97.2Very high2 Ų258.7 Ų58.71%0.0127%0.272CS..Hα-helixtrans-67.4-43.2178.6-61.8-57.8000111.7F18 I19 Y58 L62 M137 C138 T139 R143 Q144F18-I141 HydrophobicContact CB-CG2 4.38Å; F18-I141 HydrophobicContact CD1-CD1 4.34Å; F18-I141 HydrophobicContact CD1-CG2 3.62Å; F18-I141 HydrophobicContact CE1-CD1 3.89Å; F18-I141 HydrophobicContact CE1-CG2 4.27Å; F18-I141 HydrophobicContact CG-CG2 4.29Å; I19-I141 HydrophobicContact CD1-CB 4.45Å; I19-I141 HydrophobicContact CD1-CG2 4.32Å; I19-I141 HydrophobicContact CG1-CB 4.18Å; I19-I141 HydrophobicContact CG1-CG2 3.91Å; Y58-I141 HydrophobicContact CD1-CD1 4.05Å; Y58-I141 HydrophobicContact CD1-CG1 3.85Å; Y58-I141 HydrophobicContact CE1-CD1 4.32Å; Y58-I141 HydrophobicContact CE1-CG1 3.64Å; L62-I141 HydrophobicContact CD1-CD1 4.07Å; L62-I141 HydrophobicContact CD2-CD1 4.41Å; M137-I141 WeakPolarHBondContact O-CG1 3.43Å; M137-I141 PolarHBondContact O-N 3.13Å; M137-I141 VanDerWaalsContact O-N 3.13Å; C138-I141 PolarHBondContact O-N 3.11Å; T139-I141 VanDerWaalsContact C-N 3.35Å; T139-I141 PolarHBondContact O-N 2.86Å; I141-R143 PolarHBondContact O-N 3.47Å; I141-Q144 PolarHBondContact O-N 2.96Å; I141-Q144 VanDerWaalsContact O-N 3.07Å
142K97Very high97.1Very high151 Ų15153 Ų5366%0.65725%0.252SS*.Hα-helixtrans-60.2-33.8178.7-171.8178.1179.2-176.70112.2I19 C138 T139 Q144 R145I19-K142 HydrophobicContact CD1-CB 4.12Å; C138-K142 VanDerWaalsContact O-CB 3.29Å; C138-K142 WeakPolarHBondContact O-CB 3.49Å; C138-K142 PolarHBondContact O-N 3.23Å; T139-K142 PolarHBondContact O-N 3.23Å; K142-Q144 VanDerWaalsContact C-N 3.26Å; K142-Q144 PolarHBondContact O-N 2.92Å; K142-R145 PolarHBondContact O-N 3.17Å
143R97.2Very high97Very high159 Ų15956.5 Ų56.560%0.626%0.261SS*.Hα-helixtrans-65.7-27.5177.9-171.4179.964.7-177.50.7112.4T139 I140 I141 R145T139-R143 WeakPolarHBondContact O-CB 3.37Å; T139-R143 PolarHBondContact O-N 3.45Å; I140-R143 PolarHBondContact O-N 3Å; I141-R143 PolarHBondContact O-N 3.47Å; R143-R145 VanDerWaalsContact C-N 3.25Å; R143-R145 PolarHBondContact O-N 2.84Å
144Q96.3Very high96.9Very high13 Ų1356.7 Ų56.76%0.06126%0.263CS..THydrogen-bonded Turntrans-92.629-177.5-41.6-42.980.100112.6I99 A102 I140 I141 K142 Q146 S147 L148I99-Q144 HydrophobicContact CD1-CB 4.43Å; A102-Q144 HydrophobicContact CB-CG 3.91Å; I140-Q144 WeakPolarHBondContact O-CG 3.49Å; I141-Q144 PolarHBondContact O-N 2.96Å; I141-Q144 VanDerWaalsContact O-N 3.07Å; K142-Q144 VanDerWaalsContact C-N 3.26Å; K142-Q144 PolarHBondContact O-N 2.92Å; Q144-Q146 PolarHBondContact O-N 3.28Å; Q144-S147 PolarHBondContact O-N 3.48Å; Q144-L148 WeakPolarHBondContact O-CG 3.46Å; Q144-L148 PolarHBondContact O-N 3.27Å
145R96.7Very high96.8Very high133 Ų13357.5 Ų57.550%0.50226%0.264SS..Hα-helixtrans-56.8-49.8-176.9-174.8-174.770.980.3-6.8112.3A15 K142 R143 L148 E149A15-R145 HydrophobicContact CB-CB 4.21Å; A15-R145 HydrophobicContact CB-CG 4.39Å; K142-R145 PolarHBondContact O-N 3.17Å; R143-R145 VanDerWaalsContact C-N 3.25Å; R143-R145 PolarHBondContact O-N 2.84Å; R145-L148 PolarHBondContact O-N 3.28Å; R145-E149 IonicContact NH1-OE2 2.7Å; R145-E149 PolarHBondContact NH1-OE2 2.84Å; R145-E149 WeakPolarHBondContact O-CB 3.44Å; R145-E149 PolarHBondContact O-N 3.41Å; R145-E149 VanDerWaalsContact O-N 3.14Å
146Q96.3Very high96.6Very high143 Ų14360.2 Ų60.267%0.66827%0.268SS*.Hα-helixtrans-64.4-43.5-175.7-70.7173.1-15.400111.8Q144 L148 E149 Y150Q144-Q146 PolarHBondContact O-N 3.28Å; Q146-L148 PolarHBondContact O-N 2.93Å; Q146-E149 PolarHBondContact O-N 3.24Å; Q146-Y150 WeakPolarHBondContact O-CB 3.32Å; Q146-Y150 PolarHBondContact O-N 3.19Å
147S96.8Very high96.4Very high5 Ų558.2 Ų58.24%0.03526%0.264CS..Hα-helixtrans-66.2-39.6-179-13.20000112.3Q98 Q144 L151Q98-S147 PolarHBondContact OE1-OG 3.09Å; Q144-S147 PolarHBondContact O-N 3.48Å; S147-L151 WeakPolarHBondContact O-CB 3.39Å; S147-L151 VanDerWaalsContact O-CG 3.25Å; S147-L151 WeakPolarHBondContact O-CG 3.39Å; S147-L151 PolarHBondContact O-N 2.95Å
148L96.8Very high96.1Very high2 Ų258.3 Ų58.31%0.0126%0.264CS..Hα-helixtrans-67.3-39.8176.4-72.1173.1000111.9V12 A15 F18 I65 I99 Q144 R145 Q146 E152V12-L148 HydrophobicContact CG1-CB 4.25Å; V12-L148 HydrophobicContact CG1-CD2 3.58Å; A15-L148 HydrophobicContact CB-CD1 4.05Å; F18-L148 HydrophobicContact CD1-CD1 4.36Å; I65-L148 HydrophobicContact CD1-CD2 4.25Å; I99-L148 HydrophobicContact CD1-CD2 3.67Å; I99-L148 HydrophobicContact CD1-CG 4.07Å; Q144-L148 WeakPolarHBondContact O-CG 3.46Å; Q144-L148 PolarHBondContact O-N 3.27Å; R145-L148 PolarHBondContact O-N 3.28Å; Q146-L148 PolarHBondContact O-N 2.93Å; L148-E152 PolarHBondContact O-N 2.85Å
149E96.5Very high95.8Very high92 Ų9259 Ų5943%0.4327%0.27SS..Hα-helixtrans-64.4-47176.6-174.8171.5-175.600111.4R145 Q146 E152 Q153R145-E149 IonicContact NH1-OE2 2.7Å; R145-E149 PolarHBondContact NH1-OE2 2.84Å; R145-E149 WeakPolarHBondContact O-CB 3.44Å; R145-E149 PolarHBondContact O-N 3.41Å; R145-E149 VanDerWaalsContact O-N 3.14Å; Q146-E149 PolarHBondContact O-N 3.24Å; E149-E152 PolarHBondContact O-N 2.65Å; E149-Q153 WeakPolarHBondContact O-CG 3.31Å; E149-Q153 PolarHBondContact O-N 3.31Å; E149-Q153 VanDerWaalsContact O-N 3.12Å
150Y97.1Very high95.4Very high35 Ų3564.1 Ų64.114%0.13728%0.278CS..Hα-helixtrans-59.4-48.8174.1166.4-96000112Y87 H91 Y92 A95 Q146 E152 Q153 V154Y87-Y150 PolarHBondContact O-OH 2.96Å; H91-Y150 AromaticContact CD2-CD1 3.69Å; H91-Y150 AromaticContact CD2-CD2 3.48Å; H91-Y150 VanDerWaalsContact CD2-CD2 3.48Å; H91-Y150 WeakPolarHBondContact CD2-CD2 3.44Å; H91-Y150 AromaticContact CD2-CE1 3.63Å; H91-Y150 AromaticContact CD2-CE2 3.39Å; H91-Y150 WeakPolarHBondContact CD2-CE2 3.33Å; H91-Y150 AromaticContact CD2-CG 3.61Å; H91-Y150 AromaticContact CD2-CZ 3.46Å; H91-Y150 VanDerWaalsContact CD2-CZ 3.46Å; H91-Y150 AromaticContact NE2-CD2 3.76Å; H91-Y150 AromaticContact NE2-CG 3.7Å; Y92-Y150 WeakPolarHBondContact CA-OH 3.43Å; Y92-Y150 HydrophobicContact CD2-CE1 4.44Å; Y92-Y150 PolarHBondContact N-OH 3.44Å; A95-Y150 HydrophobicContact CB-CD1 3.81Å; A95-Y150 HydrophobicContact CB-CE1 4.06Å; Q146-Y150 WeakPolarHBondContact O-CB 3.32Å; Q146-Y150 PolarHBondContact O-N 3.19Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 3.01Å; Y150-Q153 WeakPolarHBondContact O-CB 3.32Å; Y150-Q153 PolarHBondContact O-N 3.19Å; Y150-Q153 VanDerWaalsContact O-N 3.13Å; Y150-V154 HydrophobicContact CD1-CG2 4.21Å; Y150-V154 HydrophobicContact CD2-CG2 4.14Å; Y150-V154 HydrophobicContact CE1-CG2 3.7Å; Y150-V154 HydrophobicContact CE2-CG2 3.66Å; Y150-V154 HydrophobicContact CG-CG2 4.41Å; Y150-V154 VanDerWaalsContact CZ-CG2 3.42Å; Y150-V154 WeakPolarHBondContact O-CG2 3.39Å; Y150-V154 PolarHBondContact O-N 3.16Å
151L96.5Very high94.9Very high0 Ų064.2 Ų64.20%028%0.279CS..Hα-helixtrans-62-34.9179.7-74174.1000112.2V12 I65 F69 A95 L96 I99 S147 V154 R155V12-L151 HydrophobicContact CG1-CB 4.4Å; V12-L151 HydrophobicContact CG2-CB 4.43Å; I65-L151 HydrophobicContact CG2-CD1 4.21Å; F69-L151 HydrophobicContact CD1-CD2 4.26Å; F69-L151 HydrophobicContact CE1-CD2 3.91Å; F69-L151 HydrophobicContact CE2-CB 4.42Å; F69-L151 HydrophobicContact CZ-CB 3.91Å; F69-L151 HydrophobicContact CZ-CD2 4.03Å; F69-L151 HydrophobicContact CZ-CG 4.49Å; F69-L151 WeakPolarHBondContact CZ-O 3.43Å; A95-L151 HydrophobicContact CB-CD1 4.48Å; A95-L151 HydrophobicContact CB-CD2 4.27Å; A95-L151 HydrophobicContact CB-CG 4.19Å; L96-L151 HydrophobicContact CD2-CD1 4Å; L96-L151 HydrophobicContact CD2-CD2 3.96Å; L96-L151 HydrophobicContact CG-CD2 4.27Å; I99-L151 HydrophobicContact CG1-CD1 3.88Å; S147-L151 WeakPolarHBondContact O-CB 3.39Å; S147-L151 VanDerWaalsContact O-CG 3.25Å; S147-L151 WeakPolarHBondContact O-CG 3.39Å; S147-L151 PolarHBondContact O-N 2.95Å; L151-V154 PolarHBondContact O-N 3.07Å; L151-R155 VanDerWaalsContact O-CB 3.31Å; L151-R155 WeakPolarHBondContact O-CB 3.46Å; L151-R155 PolarHBondContact O-N 3.34Å
152E95.7Very high94.6Very high27 Ų2766.1 Ų66.113%0.12629%0.291CS..Hα-helixtrans-67-40.9174.8-178.252.2-157.300112V12 L148 E149 Y150 R155 Q156V12-E152 HydrophobicContact CB-CB 4.08Å; V12-E152 PolarHBondContact N-OE2 2.91Å; L148-E152 PolarHBondContact O-N 2.85Å; E149-E152 PolarHBondContact O-N 2.65Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 3.01Å; E152-R155 PolarHBondContact O-N 3.01Å; E152-R155 IonicContact OE1-CZ 2.7Å; E152-R155 IonicContact OE1-NE 3.81Å; E152-R155 PolarHBondContact OE1-NE 3.42Å; E152-R155 IonicContact OE1-NH2 3.5Å; E152-R155 PolarHBondContact OE1-NH2 3.27Å; E152-R155 IonicContact OE2-CZ 3.77Å; E152-R155 IonicContact OE2-NE 3.32Å; E152-R155 PolarHBondContact OE2-NE 3.13Å; E152-R155 IonicContact OE2-NH2 2.8Å; E152-Q156 WeakPolarHBondContact O-CG 3.34Å; E152-Q156 PolarHBondContact O-N 3.11Å; E152-Q156 WeakPolarHBondContact OE1-CG 2.95Å; E152-Q156 PolarHBondContact OE1-NE2 3.46Å
153Q96Very high94.2Very high115 Ų11562.2 Ų62.254%0.53728%0.28SS..Hα-helixtrans-61.4-47.1174-68.5176.14.200111.4E149 Y150 R155 Q156 H157E149-Q153 WeakPolarHBondContact O-CG 3.31Å; E149-Q153 PolarHBondContact O-N 3.31Å; E149-Q153 VanDerWaalsContact O-N 3.12Å; Y150-Q153 WeakPolarHBondContact O-CB 3.32Å; Y150-Q153 PolarHBondContact O-N 3.19Å; Y150-Q153 VanDerWaalsContact O-N 3.13Å; Q153-R155 VanDerWaalsContact C-N 3.33Å; Q153-R155 PolarHBondContact O-N 3.36Å; Q153-Q156 PolarHBondContact O-N 2.77Å; Q153-H157 PolarHBondContact O-N 3.31Å
154V95.3Very high93.9Very high5 Ų554.8 Ų54.83%0.0325%0.252CS..Hα-helixtrans-58.5-45.8175.9173.70000110.6F69 Y87 Y92 Y150 L151 Q156 H157 L158F69-V154 HydrophobicContact CE1-CG1 4.23Å; Y87-V154 HydrophobicContact CD1-CB 4.26Å; Y87-V154 HydrophobicContact CD1-CG1 3.94Å; Y87-V154 HydrophobicContact CD1-CG2 3.76Å; Y87-V154 HydrophobicContact CD2-CG1 4.08Å; Y87-V154 HydrophobicContact CE1-CB 4.35Å; Y87-V154 HydrophobicContact CE1-CG1 3.99Å; Y87-V154 HydrophobicContact CE1-CG2 4.31Å; Y87-V154 HydrophobicContact CE2-CG1 4.14Å; Y87-V154 HydrophobicContact CG-CG1 3.97Å; Y87-V154 HydrophobicContact CG-CG2 4.16Å; Y92-V154 HydrophobicContact CD2-CG1 4.29Å; Y92-V154 HydrophobicContact CE2-CG1 4.1Å; Y150-V154 HydrophobicContact CD1-CG2 4.21Å; Y150-V154 HydrophobicContact CD2-CG2 4.14Å; Y150-V154 HydrophobicContact CE1-CG2 3.7Å; Y150-V154 HydrophobicContact CE2-CG2 3.66Å; Y150-V154 HydrophobicContact CG-CG2 4.41Å; Y150-V154 VanDerWaalsContact CZ-CG2 3.42Å; Y150-V154 WeakPolarHBondContact O-CG2 3.39Å; Y150-V154 PolarHBondContact O-N 3.16Å; L151-V154 PolarHBondContact O-N 3.07Å; V154-Q156 PolarHBondContact O-N 3.43Å; V154-H157 PolarHBondContact O-N 2.86Å; V154-L158 WeakPolarHBondContact O-CB 3.43Å; V154-L158 PolarHBondContact O-N 3.34Å
155R94.9Very high93.6Very high39 Ų3955.4 Ų55.415%0.14726%0.256CS..Hα-helixtrans-59-46.5178.4-171.8-161.269.776.64.5112.1I9 T10 F69 L151 E152 Q153 L158 S159I9-R155 HydrophobicContact CB-CG 3.84Å; I9-R155 HydrophobicContact CG2-CG 3.62Å; T10-R155 WeakPolarHBondContact O-CD 3.08Å; F69-R155 HydrophobicContact CE1-CB 4.42Å; F69-R155 HydrophobicContact CZ-CB 3.96Å; L151-R155 VanDerWaalsContact O-CB 3.31Å; L151-R155 WeakPolarHBondContact O-CB 3.46Å; L151-R155 PolarHBondContact O-N 3.34Å; E152-R155 PolarHBondContact O-N 3.01Å; E152-R155 IonicContact OE1-CZ 2.7Å; E152-R155 IonicContact OE1-NE 3.81Å; E152-R155 PolarHBondContact OE1-NE 3.42Å; E152-R155 IonicContact OE1-NH2 3.5Å; E152-R155 PolarHBondContact OE1-NH2 3.27Å; E152-R155 IonicContact OE2-CZ 3.77Å; E152-R155 IonicContact OE2-NE 3.32Å; E152-R155 PolarHBondContact OE2-NE 3.13Å; E152-R155 IonicContact OE2-NH2 2.8Å; Q153-R155 VanDerWaalsContact C-N 3.33Å; Q153-R155 PolarHBondContact O-N 3.36Å; R155-L158 PolarHBondContact O-N 3.21Å; R155-S159 WeakPolarHBondContact O-CB 3.38Å; R155-S159 PolarHBondContact O-N 3.21Å
156Q94.3Very high93.4Very high88 Ų8849.3 Ų49.341%0.41123%0.234SC..Hα-helixtrans-62.6-45.5179.8-72.2177.415.600111.2E152 Q153 V154 S159E152-Q156 WeakPolarHBondContact O-CG 3.34Å; E152-Q156 PolarHBondContact O-N 3.11Å; E152-Q156 WeakPolarHBondContact OE1-CG 2.95Å; E152-Q156 PolarHBondContact OE1-NE2 3.46Å; Q153-Q156 PolarHBondContact O-N 2.77Å; V154-Q156 PolarHBondContact O-N 3.43Å; Q156-S159 PolarHBondContact O-N 3.27Å; Q156-S159 PolarHBondContact O-OG 3.41Å
157H93Very high93.1Very high81 Ų8145.1 Ų45.138%0.37522%0.216SC..Hα-helixtrans-65.7-45.5177.3-169.9-106.4000111.9Y87 Q153 V154 S159 R160Y87-H157 HydrophobicContact CE1-CB 4.02Å; Y87-H157 AromaticContact CE1-ND1 3.41Å; Y87-H157 WeakPolarHBondContact CE1-ND1 3.24Å; Y87-H157 AromaticContact CZ-ND1 3.44Å; Y87-H157 PolarHBondContact OH-ND1 2.66Å; Q153-H157 PolarHBondContact O-N 3.31Å; V154-H157 PolarHBondContact O-N 2.86Å; H157-S159 PolarHBondContact O-N 2.84Å; H157-R160 WeakPolarHBondContact O-CB 3.4Å; H157-R160 PolarHBondContact O-N 2.92Å
158L91.5Very high92.9Very high2 Ų246.8 Ų46.81%0.0123%0.226CC..Hα-helixtrans-61.6-31.7179.9-163.476.7000112.5F6 I9 P70 M83 Y87 V154 R155 R160 L161F6-L158 HydrophobicContact CB-CD2 3.72Å; F6-L158 HydrophobicContact CB-CG 3.6Å; F6-L158 WeakPolarHBondContact CB-O 3.47Å; F6-L158 HydrophobicContact CD1-CD1 4.44Å; F6-L158 HydrophobicContact CD1-CD2 3.66Å; F6-L158 HydrophobicContact CD1-CG 4.06Å; F6-L158 HydrophobicContact CD2-CD1 4.14Å; F6-L158 HydrophobicContact CD2-CG 4.02Å; F6-L158 HydrophobicContact CE1-CD2 4.43Å; F6-L158 HydrophobicContact CE2-CD1 4.44Å; F6-L158 HydrophobicContact CG-CD1 4.15Å; F6-L158 HydrophobicContact CG-CD2 3.72Å; F6-L158 HydrophobicContact CG-CG 3.63Å; I9-L158 HydrophobicContact CD1-CD2 3.65Å; P70-L158 HydrophobicContact CG-CD2 4.07Å; M83-L158 HydrophobicContact CE-CD1 3.44Å; M83-L158 VanDerWaalsContact CE-CD1 3.44Å; M83-L158 HydrophobicContact CE-CD2 4.14Å; M83-L158 HydrophobicContact CE-CG 4.39Å; Y87-L158 HydrophobicContact CE2-CD1 3.71Å; Y87-L158 WeakPolarHBondContact OH-CA 3.42Å; Y87-L158 PolarHBondContact OH-N 3.1Å; Y87-L158 VanDerWaalsContact OH-N 3.15Å; V154-L158 WeakPolarHBondContact O-CB 3.43Å; V154-L158 PolarHBondContact O-N 3.34Å; R155-L158 PolarHBondContact O-N 3.21Å; L158-R160 PolarHBondContact O-N 3.03Å; L158-L161 HydrophobicContact CD1-CD1 3.61Å; L158-L161 PolarHBondContact O-N 3.08Å
159S90.4Very high92.8Very high34 Ų3450.2 Ų50.224%0.23824%0.239CC..THydrogen-bonded Turntrans-64.9-21.8176.278.40000114.1K7 R155 Q156 H157K7-S159 WeakPolarHBondContact CE-O 3.37Å; R155-S159 WeakPolarHBondContact O-CB 3.38Å; R155-S159 PolarHBondContact O-N 3.21Å; Q156-S159 PolarHBondContact O-N 3.27Å; Q156-S159 PolarHBondContact O-OG 3.41Å; H157-S159 PolarHBondContact O-N 2.84Å
160R89.5Confident92.7Very high202 Ų20245.8 Ų45.876%0.76222%0.218SC*.THydrogen-bonded Turntrans-92.5-16.1179.7-63.1179.3-178.7166.30.6113.1H157 L158H157-R160 WeakPolarHBondContact O-CB 3.4Å; H157-R160 PolarHBondContact O-N 2.92Å; L158-R160 PolarHBondContact O-N 3.03Å
161L88.4Confident92.7Very high21 Ų2144.3 Ų44.311%0.1121%0.212CC..SBendtrans-62.6136.8179.3-70.1-175.8000111L86 L158L86-L161 HydrophobicContact CD1-CD1 4.1Å; L86-L161 HydrophobicContact CD1-CD2 4.07Å; L158-L161 HydrophobicContact CD1-CD1 3.61Å; L158-L161 PolarHBondContact O-N 3.08Å
162P89.4Confident92.7Very high41 Ų4144.3 Ų44.327%0.26621%0.212SC..  trans-70152.1176.931.4-36.5000110.7I164 L205 V207P162-I164 HydrophobicContact CG-CD1 4.49Å; P162-I164 PolarHBondContact O-N 3.28Å; P162-L205 WeakPolarHBondContact CG-O 3.41Å; P162-V207 HydrophobicContact CB-CB 4.28Å; P162-V207 HydrophobicContact CB-CG2 3.65Å; P162-V207 HydrophobicContact CG-CG2 3.88Å
163T89.6Confident92.6Very high69 Ų6943 Ų4342%0.42321%0.206SC..  trans-87.4105.1175.9-52.60000109.7
164I90.8Very high92.5Very high4 Ų437.5 Ų37.52%0.02118%0.181CC..  trans-100.9132.7174.1-60.5164.2000108.8F78 Y79 P162 P166 L205 V207 V220 L247F78-I164 HydrophobicContact CE1-CB 4.04Å; F78-I164 HydrophobicContact CE1-CD1 4.04Å; F78-I164 HydrophobicContact CE1-CG2 4.22Å; F78-I164 HydrophobicContact CZ-CD1 3.8Å; Y79-I164 PolarHBondContact OH-N 3.33Å; Y79-I164 PolarHBondContact OH-O 3.18Å; P162-I164 HydrophobicContact CG-CD1 4.49Å; P162-I164 PolarHBondContact O-N 3.28Å; I164-P166 WeakPolarHBondContact O-CD 3.38Å; I164-L205 HydrophobicContact CD1-CB 4.43Å; I164-L205 HydrophobicContact CD1-CD1 4.18Å; I164-V207 HydrophobicContact CD1-CG2 3.88Å; I164-V207 HydrophobicContact CG1-CG2 3.38Å; I164-V220 HydrophobicContact CD1-CG1 4.36Å; I164-V220 HydrophobicContact CD1-CG2 4.43Å; I164-V220 HydrophobicContact CG1-CG2 4.46Å; I164-V220 HydrophobicContact CG2-CG2 4.46Å; I164-L247 HydrophobicContact CG2-CD1 4.4Å; I164-L247 HydrophobicContact CG2-CD2 3.77Å
165D91Very high92.4Very high26 Ų2637.3 Ų37.314%0.13918%0.18CC..  trans-99.3107.4170.5-175.5-15.9000109.4N167 T168D165-N167 PolarHBondContact O-N 2.81Å; D165-N167 VanDerWaalsContact O-N 3.08Å; D165-N167 PolarHBondContact OD1-N 3.07Å; D165-T168 HydrophobicContact CB-CG2 3.62Å; D165-T168 PolarHBondContact O-N 2.72Å; D165-T168 VanDerWaalsContact O-N 3.11Å; D165-T168 PolarHBondContact O-OG1 3.29Å; D165-T168 WeakPolarHBondContact OD2-CG2 3.4Å
166P91.5Very high92.3Very high5 Ų535.7 Ų35.73%0.03217%0.174CC..THydrogen-bonded Turntrans-63.9-18.6-173.626.8-35.1000113.5H76 F78 I164 L247H76-P166 HydrophobicContact CB-CG 4.48Å; F78-P166 HydrophobicContact CB-CB 4.44Å; I164-P166 WeakPolarHBondContact O-CD 3.38Å; P166-L247 HydrophobicContact CB-CD2 4.03Å
167N89.9Confident92.2Very high55 Ų5531.9 Ų31.929%0.29416%0.157SC..THydrogen-bonded Turntrans-94.6-10.2-178.8-67.5-58000113.4D165 R343D165-N167 PolarHBondContact O-N 2.81Å; D165-N167 VanDerWaalsContact O-N 3.08Å; D165-N167 PolarHBondContact OD1-N 3.07Å; N167-R343 PolarHBondContact O-NH2 2.98Å
168T91.9Very high92.2Very high39 Ų3930.4 Ų30.424%0.23915%0.151CC..SBendtrans-82-176.6-178.161.40000112.2D165 T170 Q218 R343D165-T168 HydrophobicContact CB-CG2 3.62Å; D165-T168 PolarHBondContact O-N 2.72Å; D165-T168 VanDerWaalsContact O-N 3.11Å; D165-T168 PolarHBondContact O-OG1 3.29Å; D165-T168 WeakPolarHBondContact OD2-CG2 3.4Å; T168-T170 PolarHBondContact O-N 3.35Å; T168-Q218 VanDerWaalsContact OG1-CD 3.23Å; T168-Q218 PolarHBondContact OG1-NE2 2.98Å; T168-Q218 PolarHBondContact OG1-OE1 3.49Å; T168-R343 PolarHBondContact O-NH1 3.35Å
169R94.6Very high92.3Very high74 Ų7430.3 Ų30.328%0.27915%0.151SC..  trans-84.3111.8179.2-60.6175.5-162.679.7-1.4107.5W217 Q218 L339R169-W217 HydrophobicContact CB-CD2 3.98Å; R169-W217 HydrophobicContact CB-CE3 3.65Å; R169-W217 HydrophobicContact CB-CH2 4.24Å; R169-W217 HydrophobicContact CB-CZ3 3.82Å; R169-W217 HydrophobicContact CG-CH2 4.47Å; R169-Q218 PolarHBondContact O-N 2.98Å; R169-L339 HydrophobicContact CB-CD2 4.23Å
170T96.2Very high92.3Very high0 Ų029.3 Ų29.30%015%0.146CC..EExtended strand (participates in β ladder)trans-121.1137.9-175.8-54.50000109.6T168 Q218 V220 L247 A249 A250T168-T170 PolarHBondContact O-N 3.35Å; T170-Q218 CarbonylContact C-O 3.5Å; T170-Q218 VanDerWaalsContact CA-O 3.26Å; T170-Q218 WeakPolarHBondContact CA-O 3.02Å; T170-Q218 HydrophobicContact CG2-CB 4.4Å; T170-V220 HydrophobicContact CG2-CB 4.17Å; T170-V220 HydrophobicContact CG2-CG2 3.47Å; T170-V220 VanDerWaalsContact CG2-CG2 3.47Å; T170-L247 HydrophobicContact CG2-CD1 4.49Å; T170-A249 HydrophobicContact CG2-CB 4.09Å; T170-A249 CarbonylContact O-C 3.55Å; T170-A249 WeakPolarHBondContact O-CA 3.45Å; T170-A249 WeakPolarHBondContact O-CB 3.25Å; T170-A250 PolarHBondContact O-N 2.97Å
171L96.2Very high92.5Very high3 Ų320.1 Ų20.12%0.01611%0.111CC..EExtended strand (participates in β ladder)trans-103.7128.5163.4-57-177.1000106.3W217 Q218 V219 V220 A250 A335L171-W217 HydrophobicContact CD2-CE3 4.21Å; L171-W217 HydrophobicContact CD2-CZ3 4.17Å; L171-W217 HydrophobicContact CG-CE3 4.27Å; L171-Q218 PolarHBondContact N-O 3.4Å; L171-V219 HydrophobicContact CB-CG2 4.4Å; L171-V219 HydrophobicContact CD1-CG2 4.32Å; L171-V219 CarbonylContact O-C 3.56Å; L171-V219 WeakPolarHBondContact O-CA 3.5Å; L171-V220 PolarHBondContact O-N 3.23Å; L171-A250 CarbonylContact C-O 3.59Å; L171-A250 WeakPolarHBondContact CA-O 3.38Å; L171-A250 HydrophobicContact CD2-CB 3.73Å; L171-A335 HydrophobicContact CD1-CB 4.4Å; L171-A335 HydrophobicContact CD2-CB 3.87Å
172L96Very high92.8Very high0 Ų019.9 Ų19.90%011%0.111CC..EExtended strand (participates in β ladder)trans-115.2121.2-177.3-173.563.5000108.7V220 T222 A243 L244 L247 A249 A250 L252L172-V220 HydrophobicContact CD1-CB 3.67Å; L172-V220 HydrophobicContact CD1-CG1 3.58Å; L172-T222 HydrophobicContact CD1-CG2 3.41Å; L172-T222 VanDerWaalsContact CD1-CG2 3.41Å; L172-T222 HydrophobicContact CG-CG2 4.08Å; L172-A243 HydrophobicContact CD1-CB 4.11Å; L172-A243 HydrophobicContact CD2-CB 4.33Å; L172-L244 HydrophobicContact CD2-CB 4.47Å; L172-L244 HydrophobicContact CD2-CD2 3.65Å; L172-L244 HydrophobicContact CD2-CG 3.95Å; L172-L247 HydrophobicContact CD1-CD1 4.21Å; L172-A249 HydrophobicContact CB-CB 3.85Å; L172-A250 PolarHBondContact N-O 2.69Å; L172-L252 PolarHBondContact O-N 2.85Å
173L95.3Very high93Very high0 Ų019.2 Ų19.20%011%0.108CC..EExtended strand (participates in β ladder)trans-88.3124.5178.4-56.6175000109.1K181 F184 I185 V219 V220 D221 T222 L252L173-K181 HydrophobicContact CB-CB 4.25Å; L173-K181 HydrophobicContact CB-CD 4.33Å; L173-K181 HydrophobicContact CD1-CB 4.46Å; L173-K181 WeakPolarHBondContact CD1-O 3.47Å; L173-F184 HydrophobicContact CD1-CD1 4.1Å; L173-F184 HydrophobicContact CD2-CD1 3.63Å; L173-F184 HydrophobicContact CD2-CE1 3.87Å; L173-I185 HydrophobicContact CD1-CB 3.95Å; L173-V219 HydrophobicContact CD1-CG1 4.06Å; L173-V219 HydrophobicContact CG-CG1 4.18Å; L173-V220 PolarHBondContact N-O 2.59Å; L173-D221 HydrophobicContact CD1-CB 4.34Å; L173-T222 WeakPolarHBondContact O-CG2 3.49Å; L173-T222 PolarHBondContact O-OG1 3.19Å; L173-L252 HydrophobicContact CD2-CB 3.91Å; L173-L252 HydrophobicContact CD2-CD1 3.63Å; L173-L252 HydrophobicContact CD2-CG 4.33Å
174C93.6Very high93.2Very high0 Ų016.4 Ų16.40%09%0.09CC..EExtended strand (participates in β ladder)trans-135154.2179.1-65.80000110.8L244 V251 L252 Y253 V254C174-L244 WeakPolarHBondContact SG-CD2 3.49Å; C174-V251 HydrophobicContact CB-CG1 4.3Å; C174-L252 PolarHBondContact N-O 3.47Å; C174-Y253 WeakPolarHBondContact O-CA 3.29Å; C174-V254 PolarHBondContact O-N 3.28Å
175G92.5Very high93.4Very high1 Ų116.2 Ų16.21%0.019%0.089CC..  trans146.7179.1-17800000111.9K181 I225G175-K181 PolarHBondContact O-NZ 3.46Å; G175-I225 PolarHBondContact O-N 2.98Å
176Y93.1Very high93.6Very high5 Ų517.2 Ų17.22%0.029%0.094CC..SBendtrans-61160-179.6-83.8-93.7000113.3V179 K181 L226 H263 E267 Q268 L271Y176-V179 WeakPolarHBondContact O-CG1 3.35Å; Y176-V179 VanDerWaalsContact O-CG2 3.23Å; Y176-V179 WeakPolarHBondContact O-CG2 3.35Å; Y176-K181 PolarHBondContact O-NZ 2.9Å; Y176-L226 HydrophobicContact CD1-CD2 3.94Å; Y176-L226 HydrophobicContact CE1-CD2 4.1Å; Y176-H263 HydrophobicContact CD1-CB 4.18Å; Y176-H263 AromaticContact CD1-CD2 3.22Å; Y176-H263 WeakPolarHBondContact CD1-CD2 3.42Å; Y176-H263 AromaticContact CD1-CG 3.64Å; Y176-H263 AromaticContact CD1-NE2 3.66Å; Y176-H263 HydrophobicContact CE1-CB 4.12Å; Y176-H263 AromaticContact CE1-CD2 3.54Å; Y176-H263 AromaticContact CE1-CE1 3.91Å; Y176-H263 AromaticContact CE1-CG 3.54Å; Y176-H263 AromaticContact CE1-ND1 3.79Å; Y176-H263 AromaticContact CE1-NE2 3.75Å; Y176-E267 PolarHBondContact OH-O 2.84Å; Y176-Q268 HydrophobicContact CD2-CB 4.36Å; Y176-Q268 HydrophobicContact CD2-CG 3.86Å; Y176-Q268 HydrophobicContact CE2-CB 4.22Å; Y176-Q268 HydrophobicContact CE2-CG 4.04Å; Y176-L271 HydrophobicContact CD2-CD2 3.62Å; Y176-L271 HydrophobicContact CE1-CD2 4.49Å; Y176-L271 HydrophobicContact CE2-CB 3.47Å; Y176-L271 VanDerWaalsContact CE2-CB 3.47Å; Y176-L271 HydrophobicContact CE2-CD2 3.3Å; Y176-L271 HydrophobicContact CE2-CG 4Å; Y176-L271 HydrophobicContact CG-CD2 4.31Å; Y176-L271 WeakPolarHBondContact OH-CB 3.31Å
177P92.6Very high93.7Very high8 Ų821.9 Ų21.95%0.05211%0.114CC..THydrogen-bonded Turntrans-51.6152.5163.9-22.633.8000111.6V179 A199 F200 L226P177-V179 PolarHBondContact O-N 3.43Å; P177-A199 HydrophobicContact CB-CB 3.72Å; P177-A199 HydrophobicContact CG-CB 4.31Å; P177-F200 HydrophobicContact CG-CZ 4.49Å; P177-L226 HydrophobicContact CG-CD2 3.98Å
178N92.5Very high93.9Very high49 Ų4920.2 Ų20.226%0.26211%0.106SC..THydrogen-bonded Turntrans61.35.9173.6-62.7-10.8000118.6G180 P197 Y198 C261 K290N178-G180 VanDerWaalsContact C-N 3.26Å; N178-G180 PolarHBondContact O-N 3.32Å; N178-P197 PolarHBondContact ND2-O 2.79Å; N178-Y198 PolarHBondContact OD1-O 3.01Å; N178-Y198 VanDerWaalsContact OD1-O 3.1Å; N178-C261 HydrophobicContact CB-CB 4.34Å; N178-K290 PolarHBondContact O-NZ 3.18Å; N178-K290 VanDerWaalsContact O-NZ 3.07Å
179V93Very high94Very high0 Ų019 Ų190%010%0.098CC..SBendtrans-73.4-12.6176.7-57.30000114.4Y176 P177 K181 V254 D256 C261 S289Y176-V179 WeakPolarHBondContact O-CG1 3.35Å; Y176-V179 VanDerWaalsContact O-CG2 3.23Å; Y176-V179 WeakPolarHBondContact O-CG2 3.35Å; P177-V179 PolarHBondContact O-N 3.43Å; V179-K181 HydrophobicContact CG2-CD 4.26Å; V179-K181 HydrophobicContact CG2-CG 3.58Å; V179-V254 HydrophobicContact CB-CG1 4.12Å; V179-V254 HydrophobicContact CG2-CB 3.86Å; V179-V254 HydrophobicContact CG2-CG1 3.71Å; V179-D256 HydrophobicContact CB-CB 4.15Å; V179-D256 HydrophobicContact CG1-CB 3.98Å; V179-C261 HydrophobicContact CG1-CB 3.95Å; V179-S289 VanDerWaalsContact O-CB 3.29Å; V179-S289 WeakPolarHBondContact O-CB 3.28Å; V179-S289 PolarHBondContact O-OG 3.01Å
180G91.7Very high93.9Very high13 Ų1327.6 Ų27.613%0.13413%0.131CC..SBendtrans104.715.6178.500000116.3N178 S182 S183 F184N178-G180 VanDerWaalsContact C-N 3.26Å; N178-G180 PolarHBondContact O-N 3.32Å; G180-S182 PolarHBondContact O-N 3.35Å; G180-S183 WeakPolarHBondContact O-CB 3.48Å; G180-S183 PolarHBondContact O-N 3.37Å; G180-F184 PolarHBondContact O-N 3.25Å
181K93.3Very high93.5Very high9 Ų928.7 Ų28.74%0.03914%0.14CC..Hα-helixtrans-56.1-49177.9-55.3-171.5-64.2-80.30113.1L173 G175 Y176 V179 S183 F184 I185 D221 T222 V254L173-K181 HydrophobicContact CB-CB 4.25Å; L173-K181 HydrophobicContact CB-CD 4.33Å; L173-K181 HydrophobicContact CD1-CB 4.46Å; L173-K181 WeakPolarHBondContact CD1-O 3.47Å; G175-K181 PolarHBondContact O-NZ 3.46Å; Y176-K181 PolarHBondContact O-NZ 2.9Å; V179-K181 HydrophobicContact CG2-CD 4.26Å; V179-K181 HydrophobicContact CG2-CG 3.58Å; K181-S183 VanDerWaalsContact C-N 3.32Å; K181-S183 PolarHBondContact O-N 3.23Å; K181-F184 WeakPolarHBondContact O-CB 3.37Å; K181-F184 PolarHBondContact O-N 2.67Å; K181-F184 VanDerWaalsContact O-N 3.13Å; K181-I185 PolarHBondContact O-N 3.21Å; K181-I185 VanDerWaalsContact O-N 3.07Å; K181-D221 WeakPolarHBondContact CB-OD1 3.01Å; K181-T222 VanDerWaalsContact CE-O 3.25Å; K181-T222 WeakPolarHBondContact CE-O 3.47Å; K181-V254 HydrophobicContact CG-CB 4.1Å; K181-V254 HydrophobicContact CG-CG2 4.03Å
182S93.8Very high93.3Very high16 Ų1635.7 Ų35.711%0.11218%0.177CC..Hα-helixtrans-68-31.4-179.9-51.30000112.2G180 I185 N186 T202 D221G180-S182 PolarHBondContact O-N 3.35Å; S182-I185 WeakPolarHBondContact O-CG2 3.42Å; S182-N186 VanDerWaalsContact O-CG 3.3Å; S182-N186 PolarHBondContact O-N 2.78Å; S182-T202 WeakPolarHBondContact OG-CG2 3.36Å; S182-D221 WeakPolarHBondContact CB-OD2 3.43Å; S182-D221 PolarHBondContact OG-OD2 2.76Å
183S93.3Very high93.2Very high28 Ų2835.8 Ų35.820%0.19618%0.178CC..Hα-helixtrans-66.7-40.7170.2-51.80000111.7G180 K181 N186 K187 V195G180-S183 WeakPolarHBondContact O-CB 3.48Å; G180-S183 PolarHBondContact O-N 3.37Å; K181-S183 VanDerWaalsContact C-N 3.32Å; K181-S183 PolarHBondContact O-N 3.23Å; S183-N186 PolarHBondContact O-N 2.75Å; S183-K187 WeakPolarHBondContact O-CG 3.43Å; S183-K187 PolarHBondContact O-N 3.44Å; S183-K187 VanDerWaalsContact O-N 3.11Å; S183-V195 WeakPolarHBondContact OG-CG1 3.46Å
184F94.8Very high93Very high9 Ų941.4 Ų41.44%0.03921%0.208CC..Hα-helixtrans-62.7-44.5178.5-176.8-91.4000112L173 G180 K181 N186 K187 V188 L252 T322 V328 V331L173-F184 HydrophobicContact CD1-CD1 4.1Å; L173-F184 HydrophobicContact CD2-CD1 3.63Å; L173-F184 HydrophobicContact CD2-CE1 3.87Å; G180-F184 PolarHBondContact O-N 3.25Å; K181-F184 WeakPolarHBondContact O-CB 3.37Å; K181-F184 PolarHBondContact O-N 2.67Å; K181-F184 VanDerWaalsContact O-N 3.13Å; F184-N186 VanDerWaalsContact C-N 3.34Å; F184-N186 PolarHBondContact O-N 2.8Å; F184-K187 PolarHBondContact O-N 3.11Å; F184-V188 HydrophobicContact CD1-CG2 4.01Å; F184-V188 HydrophobicContact CE1-CG2 3.64Å; F184-V188 HydrophobicContact CE2-CG2 4.17Å; F184-V188 HydrophobicContact CG-CG2 4.43Å; F184-V188 HydrophobicContact CZ-CG2 3.72Å; F184-V188 WeakPolarHBondContact O-CG2 3.33Å; F184-V188 PolarHBondContact O-N 3.4Å; F184-L252 HydrophobicContact CE1-CD1 3.88Å; F184-L252 HydrophobicContact CZ-CD1 4.24Å; F184-T322 HydrophobicContact CB-CG2 4.33Å; F184-V328 HydrophobicContact CD2-CG1 4.33Å; F184-V328 HydrophobicContact CE2-CB 4.47Å; F184-V328 HydrophobicContact CE2-CG1 3.97Å; F184-V331 HydrophobicContact CE2-CB 4.4Å; F184-V331 HydrophobicContact CE2-CG1 4.29Å; F184-V331 HydrophobicContact CZ-CB 4.22Å; F184-V331 HydrophobicContact CZ-CG1 3.8Å
185I95Very high92.9Very high0 Ų044.7 Ų44.70%023%0.228CC..Hα-helixtrans-62.9-38176.7-174.7171.2000112.5L173 K181 S182 K187 V188 T189 A191 V193 V219 D221L173-I185 HydrophobicContact CD1-CB 3.95Å; K181-I185 PolarHBondContact O-N 3.21Å; K181-I185 VanDerWaalsContact O-N 3.07Å; S182-I185 WeakPolarHBondContact O-CG2 3.42Å; I185-K187 VanDerWaalsContact C-N 3.31Å; I185-K187 PolarHBondContact O-N 3.3Å; I185-V188 PolarHBondContact O-N 3.46Å; I185-T189 HydrophobicContact CG1-CG2 4.29Å; I185-T189 WeakPolarHBondContact CG1-OG1 3.37Å; I185-T189 WeakPolarHBondContact O-CA 3.39Å; I185-T189 WeakPolarHBondContact O-CB 3.16Å; I185-T189 PolarHBondContact O-N 3.07Å; I185-T189 PolarHBondContact O-OG1 2.89Å; I185-A191 HydrophobicContact CD1-CB 4.3Å; I185-A191 HydrophobicContact CG1-CB 4.16Å; I185-V193 HydrophobicContact CG2-CB 4.35Å; I185-V193 HydrophobicContact CG2-CG2 3.94Å; I185-V219 HydrophobicContact CB-CG1 4.49Å; I185-V219 HydrophobicContact CD1-CB 4.47Å; I185-V219 HydrophobicContact CD1-CG1 4.27Å; I185-V219 HydrophobicContact CG1-CB 4.46Å; I185-V219 HydrophobicContact CG1-CG1 4.14Å; I185-D221 HydrophobicContact CD1-CB 3.9Å; I185-D221 HydrophobicContact CG2-CB 4.29Å
186N94.4Very high92.9Very high47 Ų4749.2 Ų49.225%0.25125%0.249SC..Hα-helixtrans-68.5-29177.2-68.7-7.9000112.6S182 S183 F184 T189 A191 V193S182-N186 VanDerWaalsContact O-CG 3.3Å; S182-N186 PolarHBondContact O-N 2.78Å; S183-N186 PolarHBondContact O-N 2.75Å; F184-N186 VanDerWaalsContact C-N 3.34Å; F184-N186 PolarHBondContact O-N 2.8Å; N186-T189 CarbonylContact C-O 3.49Å; N186-A191 PolarHBondContact OD1-O 2.92Å; N186-V193 PolarHBondContact ND2-O 3.34Å; N186-V193 PolarHBondContact OD1-N 2.99Å
187K94.3Very high92.7Very high104 Ų10454.3 Ų54.345%0.45228%0.282SS..Hα-helixtrans-80.7-34.8175-70.5-65.6-171.4168.60112.9S183 F184 I185 T322 E325 V328S183-K187 WeakPolarHBondContact O-CG 3.43Å; S183-K187 PolarHBondContact O-N 3.44Å; S183-K187 VanDerWaalsContact O-N 3.11Å; F184-K187 PolarHBondContact O-N 3.11Å; I185-K187 VanDerWaalsContact C-N 3.31Å; I185-K187 PolarHBondContact O-N 3.3Å; K187-T322 VanDerWaalsContact CE-O 3.24Å; K187-T322 WeakPolarHBondContact CE-O 3.47Å; K187-E325 IonicContact NZ-OE1 2.68Å; K187-E325 PolarHBondContact NZ-OE1 3.21Å; K187-V328 HydrophobicContact CB-CG1 4.38Å
188V94.2Very high92.6Very high20 Ų2060.6 Ų60.612%0.12131%0.306CS..Hα-helixtrans-82.2-32.9-179.5173.40000112.6F184 I185 V210 V219 V328 K332F184-V188 HydrophobicContact CD1-CG2 4.01Å; F184-V188 HydrophobicContact CE1-CG2 3.64Å; F184-V188 HydrophobicContact CE2-CG2 4.17Å; F184-V188 HydrophobicContact CG-CG2 4.43Å; F184-V188 HydrophobicContact CZ-CG2 3.72Å; F184-V188 WeakPolarHBondContact O-CG2 3.33Å; F184-V188 PolarHBondContact O-N 3.4Å; I185-V188 PolarHBondContact O-N 3.46Å; V188-V210 HydrophobicContact CG1-CG1 4.46Å; V188-V210 HydrophobicContact CG1-CG2 4.38Å; V188-V219 HydrophobicContact CG1-CG2 4.37Å; V188-V328 HydrophobicContact CG2-CG1 3.53Å; V188-K332 HydrophobicContact CG1-CD 4.06Å; V188-K332 HydrophobicContact CG1-CG 4.44Å
189T93.9Very high92.3Very high12 Ų1260.6 Ų60.67%0.07431%0.313CS..SBendtrans-127.4172.7-172.5770000111.2I185 N186 A191 V210 V219I185-T189 HydrophobicContact CG1-CG2 4.29Å; I185-T189 WeakPolarHBondContact CG1-OG1 3.37Å; I185-T189 WeakPolarHBondContact O-CA 3.39Å; I185-T189 WeakPolarHBondContact O-CB 3.16Å; I185-T189 PolarHBondContact O-N 3.07Å; I185-T189 PolarHBondContact O-OG1 2.89Å; N186-T189 CarbonylContact C-O 3.49Å; T189-A191 PolarHBondContact O-N 3.05Å; T189-A191 VanDerWaalsContact OG1-CB 3.32Å; T189-A191 WeakPolarHBondContact OG1-CB 3.39Å; T189-A191 PolarHBondContact OG1-N 2.82Å; T189-A191 VanDerWaalsContact OG1-N 3.17Å; T189-V210 HydrophobicContact CG2-CB 4.23Å; T189-V219 HydrophobicContact CG2-CB 4.02Å; T189-V219 HydrophobicContact CG2-CG2 3.73Å
190R91.8Very high92.1Very high255 Ų25563.3 Ų63.396%0.96233%0.325SS*.SBendtrans-87.917.1171.8-58.4-177.2-177-173-0.3113.1
191A89.2Confident91.9Very high24 Ų2464.3 Ų64.320%0.19833%0.328CS..  trans-68.9146.7173.700000109.4I185 N186 T189 V193I185-A191 HydrophobicContact CD1-CB 4.3Å; I185-A191 HydrophobicContact CG1-CB 4.16Å; N186-A191 PolarHBondContact OD1-O 2.92Å; T189-A191 PolarHBondContact O-N 3.05Å; T189-A191 VanDerWaalsContact OG1-CB 3.32Å; T189-A191 WeakPolarHBondContact OG1-CB 3.39Å; T189-A191 PolarHBondContact OG1-N 2.82Å; T189-A191 VanDerWaalsContact OG1-N 3.17Å; A191-V193 HydrophobicContact CB-CG2 4.3Å
192D91Very high91.7Very high149 Ų14964.4 Ų64.480%0.79733%0.329SS*.  trans-115.985.6177-167.415.4000107.5
193V92.9Very high91.5Very high3 Ų370.1 Ų70.12%0.01835%0.352CS..  trans-99.6129177.9-174.80000108.2I185 N186 A191 V195 T202 F206I185-V193 HydrophobicContact CG2-CB 4.35Å; I185-V193 HydrophobicContact CG2-CG2 3.94Å; N186-V193 PolarHBondContact ND2-O 3.34Å; N186-V193 PolarHBondContact OD1-N 2.99Å; A191-V193 HydrophobicContact CB-CG2 4.3Å; V193-V195 PolarHBondContact O-N 3.44Å; V193-T202 HydrophobicContact CG1-CG2 3.42Å; V193-T202 VanDerWaalsContact CG1-CG2 3.42Å; V193-F206 HydrophobicContact CG1-CD2 4.11Å; V193-F206 HydrophobicContact CG1-CE2 4.42Å; V193-F206 HydrophobicContact CG1-CG 4.4Å; V193-F206 HydrophobicContact CG2-CB 3.94Å; V193-F206 HydrophobicContact CG2-CD1 4.4Å; V193-F206 HydrophobicContact CG2-CG 4.07Å
194D91.9Very high91.4Very high117 Ų11770.6 Ų70.663%0.62636%0.356SS*.  trans-59.9129.3177.6-69.9-32000110.9T201D194-T201 HydrophobicContact CB-CG2 4.26Å; D194-T201 VanDerWaalsContact O-CG2 3.25Å; D194-T201 WeakPolarHBondContact O-CG2 3.31Å
195V92Very high91.3Very high69 Ų6970.5 Ų70.542%0.41836%0.355SS..  trans-115.3117.1175.4-177.80000108.1S183 V193S183-V195 WeakPolarHBondContact OG-CG1 3.46Å; V193-V195 PolarHBondContact O-N 3.44Å
196Q91.5Very high91.3Very high96 Ų9674.2 Ų74.245%0.44937%0.372SS..  trans-134.8154.3178-63.1-66.4-2700109.4Y198 T201Q196-Y198 HydrophobicContact CB-CD1 3.79Å; Q196-Y198 HydrophobicContact CB-CE1 3.31Å; Q196-Y198 HydrophobicContact CB-CE2 4.33Å; Q196-Y198 HydrophobicContact CB-CG 4.47Å; Q196-Y198 HydrophobicContact CG-CE1 3.77Å; Q196-Y198 PolarHBondContact O-N 2.76Å; Q196-T201 HydrophobicContact CB-CG2 3.91Å; Q196-T201 WeakPolarHBondContact CB-OG1 3.26Å; Q196-T201 HydrophobicContact CG-CG2 4.07Å; Q196-T201 PolarHBondContact O-OG1 3.49Å
197P89.5Confident91.2Very high112 Ų11273.4 Ų73.473%0.72737%0.368SS*.SBendtrans-77.2-3.4-173.230.8-36.1000114.3N178N178-P197 PolarHBondContact ND2-O 2.79Å
198Y89.9Confident91.2Very high141 Ų14168.5 Ų68.555%0.55335%0.348SS*.SBendtrans-96.9149.7178.658.1-98.8000112N178 Q196 T201N178-Y198 PolarHBondContact OD1-O 3.01Å; N178-Y198 VanDerWaalsContact OD1-O 3.1Å; Q196-Y198 HydrophobicContact CB-CD1 3.79Å; Q196-Y198 HydrophobicContact CB-CE1 3.31Å; Q196-Y198 HydrophobicContact CB-CE2 4.33Å; Q196-Y198 HydrophobicContact CB-CG 4.47Å; Q196-Y198 HydrophobicContact CG-CE1 3.77Å; Q196-Y198 PolarHBondContact O-N 2.76Å; Y198-T201 WeakPolarHBondContact CE2-OG1 3.49Å; Y198-T201 PolarHBondContact O-OG1 3.13Å
199A87.6Confident91.3Very high48 Ų4872.3 Ų72.340%0.39736%0.364SS..THydrogen-bonded Turntrans-63.1154.1-178.800000112.5P177 T201P177-A199 HydrophobicContact CB-CB 3.72Å; P177-A199 HydrophobicContact CG-CB 4.31Å; A199-T201 VanDerWaalsContact C-N 3.26Å; A199-T201 PolarHBondContact O-N 2.87Å
200F87.4Confident91.3Very high58 Ų5872.5 Ų72.525%0.25437%0.365SS..THydrogen-bonded Turntrans57.633.4-179.5-55.7-76.8000114.9P177 T202 K203 L226 I236 E237P177-F200 HydrophobicContact CG-CZ 4.49Å; F200-T202 VanDerWaalsContact C-N 3.3Å; F200-T202 PolarHBondContact O-N 3.32Å; F200-K203 WeakPolarHBondContact O-CG 3.22Å; F200-L226 HydrophobicContact CE2-CD1 4.2Å; F200-L226 HydrophobicContact CZ-CD1 3.82Å; F200-L226 HydrophobicContact CZ-CG 4.18Å; F200-I236 HydrophobicContact CD1-CG2 4.2Å; F200-E237 HydrophobicContact CE1-CG 4.24Å
201T88.4Confident91.6Very high33 Ų3365.9 Ų65.920%0.20235%0.349CS..SBendtrans-55.7-46.6167.8-63.50000110.7D194 Q196 Y198 A199D194-T201 HydrophobicContact CB-CG2 4.26Å; D194-T201 VanDerWaalsContact O-CG2 3.25Å; D194-T201 WeakPolarHBondContact O-CG2 3.31Å; Q196-T201 HydrophobicContact CB-CG2 3.91Å; Q196-T201 WeakPolarHBondContact CB-OG1 3.26Å; Q196-T201 HydrophobicContact CG-CG2 4.07Å; Q196-T201 PolarHBondContact O-OG1 3.49Å; Y198-T201 WeakPolarHBondContact CE2-OG1 3.49Å; Y198-T201 PolarHBondContact O-OG1 3.13Å; A199-T201 VanDerWaalsContact C-N 3.26Å; A199-T201 PolarHBondContact O-N 2.87Å
202T88.4Confident91.9Very high11 Ų1166.6 Ų66.67%0.06735%0.347CS..  trans-91.6113.9171.649.60000111.2S182 V193 F200 F206 P223S182-T202 WeakPolarHBondContact OG-CG2 3.36Å; V193-T202 HydrophobicContact CG1-CG2 3.42Å; V193-T202 VanDerWaalsContact CG1-CG2 3.42Å; F200-T202 VanDerWaalsContact C-N 3.3Å; F200-T202 PolarHBondContact O-N 3.32Å; T202-F206 HydrophobicContact CG2-CD2 4.07Å; T202-F206 HydrophobicContact CG2-CE2 4.04Å; T202-P223 WeakPolarHBondContact O-CB 3.47Å
203K90.3Very high92.1Very high136 Ų13664.6 Ų64.659%0.59133%0.331SS*.  trans-100.3-7.9-179.7-60.3-174.5-179.8-179.70114.2F200 I236 Q239F200-K203 WeakPolarHBondContact O-CG 3.22Å; K203-I236 HydrophobicContact CB-CD1 4.23Å; K203-I236 HydrophobicContact CD-CD1 4.36Å; K203-I236 HydrophobicContact CG-CD1 4.15Å; K203-Q239 PolarHBondContact O-NE2 2.93Å
204S91.7Very high92.2Very high39 Ų3975.8 Ų75.827%0.27337%0.374SS..SBendtrans-138.3161.4-17856.70000110.5F206S204-F206 VanDerWaalsContact O-CD2 3.29Å; S204-F206 WeakPolarHBondContact O-CD2 3.5Å; S204-F206 PolarHBondContact O-N 3.48Å
205L92.7Very high92.4Very high6 Ų672.8 Ų72.83%0.03136%0.358CS..  trans-64.5131.8171-58.4175.5000110.3F78 P162 I164 V220 D221 T222 A243F78-L205 HydrophobicContact CE2-CD1 4.33Å; F78-L205 HydrophobicContact CZ-CD1 3.99Å; P162-L205 WeakPolarHBondContact CG-O 3.41Å; I164-L205 HydrophobicContact CD1-CB 4.43Å; I164-L205 HydrophobicContact CD1-CD1 4.18Å; L205-V220 HydrophobicContact CB-CG1 4.4Å; L205-V220 HydrophobicContact CD2-CG1 4.3Å; L205-D221 WeakPolarHBondContact CA-O 3.26Å; L205-T222 HydrophobicContact CD2-CG2 3.79Å; L205-A243 HydrophobicContact CD1-CB 3.98Å; L205-A243 HydrophobicContact CD2-CB 4.04Å
206F93.7Very high92.5Very high78 Ų7878 Ų7834%0.34237%0.371SS..EExtended strand (participates in β ladder)trans-112.8153.1170.7-73.4-85000110.4V193 T202 S204 V220 D221V193-F206 HydrophobicContact CG1-CD2 4.11Å; V193-F206 HydrophobicContact CG1-CE2 4.42Å; V193-F206 HydrophobicContact CG1-CG 4.4Å; V193-F206 HydrophobicContact CG2-CB 3.94Å; V193-F206 HydrophobicContact CG2-CD1 4.4Å; V193-F206 HydrophobicContact CG2-CG 4.07Å; T202-F206 HydrophobicContact CG2-CD2 4.07Å; T202-F206 HydrophobicContact CG2-CE2 4.04Å; S204-F206 VanDerWaalsContact O-CD2 3.29Å; S204-F206 WeakPolarHBondContact O-CD2 3.5Å; S204-F206 PolarHBondContact O-N 3.48Å; F206-V220 CarbonylContact O-C 3.58Å; F206-V220 VanDerWaalsContact O-CA 3.29Å; F206-V220 WeakPolarHBondContact O-CA 3.44Å; F206-D221 HydrophobicContact CB-CB 4.28Å; F206-D221 PolarHBondContact N-O 3.41Å; F206-D221 VanDerWaalsContact N-O 3.11Å; F206-D221 PolarHBondContact O-N 2.94Å
207V93.8Very high92.8Very high30 Ų3073.5 Ų73.518%0.18235%0.349CS..EExtended strand (participates in β ladder)trans-129.8123.3-177.5-172.10000110.1P162 I164 Q218 V219 V220P162-V207 HydrophobicContact CB-CB 4.28Å; P162-V207 HydrophobicContact CB-CG2 3.65Å; P162-V207 HydrophobicContact CG-CG2 3.88Å; I164-V207 HydrophobicContact CD1-CG2 3.88Å; I164-V207 HydrophobicContact CG1-CG2 3.38Å; V207-Q218 HydrophobicContact CG1-CB 4.29Å; V207-V219 CarbonylContact C-O 3.57Å; V207-V219 WeakPolarHBondContact CA-O 3.47Å; V207-V220 HydrophobicContact CG2-CG2 4.29Å
208G94.1Very high93Very high2 Ų269.2 Ų69.22%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-106.4152.8167.400000110.8Q218 V219G208-Q218 CarbonylContact O-C 3.59Å; G208-Q218 WeakPolarHBondContact O-CA 3.3Å; G208-V219 PolarHBondContact N-O 2.72Å; G208-V219 PolarHBondContact O-N 3.24Å
209H95.2Very high93.3Very high100 Ų10062.5 Ų62.546%0.46329%0.293SS..EExtended strand (participates in β ladder)trans-113.6138.8173-66.2-57.5000110.2W217H209-W217 WeakPolarHBondContact CA-O 3.4Å; H209-W217 PolarHBondContact ND1-O 2.96Å
210V95.3Very high93.7Very high15 Ų1560.2 Ų60.29%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-137.4147.2175.365.60000109.8V188 T189 W217 V219 K332V188-V210 HydrophobicContact CG1-CG1 4.46Å; V188-V210 HydrophobicContact CG1-CG2 4.38Å; T189-V210 HydrophobicContact CG2-CB 4.23Å; V210-W217 HydrophobicContact CG1-CB 3.73Å; V210-W217 PolarHBondContact N-O 3.26Å; V210-W217 WeakPolarHBondContact O-CB 3.46Å; V210-W217 PolarHBondContact O-N 3.18Å; V210-V219 HydrophobicContact CG1-CG2 4.01Å; V210-K332 HydrophobicContact CG2-CD 4.13Å
211D96.3Very high94Very high117 Ų11757.5 Ų57.563%0.62626%0.263SS*.EExtended strand (participates in β ladder)trans-102.3128.4174.9-65.9-36.2000109.5L215D211-L215 WeakPolarHBondContact CA-O 3.48Å
212Y96.1Very high94.3Very high38 Ų3856 Ų5615%0.14925%0.253CS..EExtended strand (participates in β ladder)trans-147.8134.1176.4177.3-109000110.1Y214 L215 W217 T333 C336 D337Y212-Y214 VanDerWaalsContact C-N 3.26Å; Y212-Y214 PolarHBondContact O-N 3.36Å; Y212-L215 PolarHBondContact N-O 3.08Å; Y212-L215 WeakPolarHBondContact O-CB 3.28Å; Y212-L215 PolarHBondContact O-N 3.42Å; Y212-W217 HydrophobicContact CD1-CZ2 4.48Å; Y212-W217 PolarHBondContact O-NE1 3.26Å; Y212-T333 HydrophobicContact CE2-CG2 3.75Å; Y212-C336 HydrophobicContact CD1-CB 3.25Å; Y212-C336 HydrophobicContact CE1-CB 3.33Å; Y212-C336 HydrophobicContact CG-CB 4.28Å; Y212-D337 VanDerWaalsContact CE1-OD1 3.32Å; Y212-D337 WeakPolarHBondContact CE1-OD1 3.36Å; Y212-D337 PolarHBondContact OH-OD1 3.41Å; Y212-D337 PolarHBondContact OH-OD2 3.19Å
213K95.7Very high94.4Very high108 Ų10855.4 Ų55.447%0.4725%0.25SC..THydrogen-bonded Turntrans49.443.7-172.5-70.3-176.6173.2172.50113.2L215 D337 L340K213-L215 PolarHBondContact O-N 3.01Å; K213-L215 VanDerWaalsContact O-N 3.11Å; K213-D337 VanDerWaalsContact CE-OD1 3.31Å; K213-D337 WeakPolarHBondContact CE-OD1 3.35Å; K213-D337 IonicContact NZ-OD1 3.28Å; K213-D337 PolarHBondContact NZ-OD1 2.96Å; K213-D337 IonicContact NZ-OD2 3.74Å; K213-D337 PolarHBondContact NZ-OD2 3.37Å; K213-L340 HydrophobicContact CD-CD1 4.11Å
214Y95.5Very high94.2Very high237 Ų23749.1 Ų49.193%0.92922%0.223SC*.THydrogen-bonded Turntrans58.718.7-177.5-48.9-78.4000114.7Y212Y212-Y214 VanDerWaalsContact C-N 3.26Å; Y212-Y214 PolarHBondContact O-N 3.36Å
215L95.4Very high94.1Very high55 Ų5547.3 Ų47.329%0.28821%0.21SC..EExtended strand (participates in β ladder)trans-115.5145.6177.4-62.1171.3000109.4D211 Y212 K213 L340D211-L215 WeakPolarHBondContact CA-O 3.48Å; Y212-L215 PolarHBondContact N-O 3.08Å; Y212-L215 WeakPolarHBondContact O-CB 3.28Å; Y212-L215 PolarHBondContact O-N 3.42Å; K213-L215 PolarHBondContact O-N 3.01Å; K213-L215 VanDerWaalsContact O-N 3.11Å; L215-L340 HydrophobicContact CD1-CD2 3.89Å
216R95Very high93.8Very high179 Ų17948.5 Ų48.568%0.67522%0.217SC*.EExtended strand (participates in β ladder)trans-84.1130172.6-171.8173.8-66166.60.7110.4
217W96.3Very high93.2Very high0 Ų047.6 Ų47.60%022%0.215CC..EExtended strand (participates in β ladder)trans-116.2152.1177.6-64.578.9000110.5R169 L171 H209 V210 Y212 C336 L339 L340R169-W217 HydrophobicContact CB-CD2 3.98Å; R169-W217 HydrophobicContact CB-CE3 3.65Å; R169-W217 HydrophobicContact CB-CH2 4.24Å; R169-W217 HydrophobicContact CB-CZ3 3.82Å; R169-W217 HydrophobicContact CG-CH2 4.47Å; L171-W217 HydrophobicContact CD2-CE3 4.21Å; L171-W217 HydrophobicContact CD2-CZ3 4.17Å; L171-W217 HydrophobicContact CG-CE3 4.27Å; H209-W217 WeakPolarHBondContact CA-O 3.4Å; H209-W217 PolarHBondContact ND1-O 2.96Å; V210-W217 HydrophobicContact CG1-CB 3.73Å; V210-W217 PolarHBondContact N-O 3.26Å; V210-W217 WeakPolarHBondContact O-CB 3.46Å; V210-W217 PolarHBondContact O-N 3.18Å; Y212-W217 HydrophobicContact CD1-CZ2 4.48Å; Y212-W217 PolarHBondContact O-NE1 3.26Å; W217-C336 HydrophobicContact CD2-CB 4.49Å; W217-C336 VanDerWaalsContact CD2-SG 3.56Å; W217-C336 HydrophobicContact CE3-CB 4.41Å; W217-C336 VanDerWaalsContact CE3-SG 3.53Å; W217-C336 VanDerWaalsContact CH2-CA 3.45Å; W217-C336 HydrophobicContact CH2-CB 3.63Å; W217-C336 WeakPolarHBondContact CH2-O 3.47Å; W217-C336 HydrophobicContact CZ2-CB 3.68Å; W217-C336 HydrophobicContact CZ3-CB 3.96Å; W217-L339 HydrophobicContact CE3-CD2 4.39Å; W217-L339 HydrophobicContact CH2-CB 4.11Å; W217-L339 HydrophobicContact CH2-CD2 4.2Å; W217-L339 HydrophobicContact CZ3-CB 4.02Å; W217-L339 HydrophobicContact CZ3-CD2 3.52Å; W217-L339 HydrophobicContact CZ3-CG 4.26Å; W217-L340 HydrophobicContact CH2-CD2 4.11Å; W217-L340 HydrophobicContact CH2-CG 3.83Å; W217-L340 HydrophobicContact CZ2-CD1 4Å; W217-L340 HydrophobicContact CZ2-CD2 3.85Å; W217-L340 HydrophobicContact CZ2-CG 3.72Å
218Q95.1Very high92.6Very high22 Ų2249.8 Ų49.810%0.10322%0.224CC..EExtended strand (participates in β ladder)trans-110.8129.5172.5-52.5-172.5-6.100107.9T168 R169 T170 L171 V207 G208T168-Q218 VanDerWaalsContact OG1-CD 3.23Å; T168-Q218 PolarHBondContact OG1-NE2 2.98Å; T168-Q218 PolarHBondContact OG1-OE1 3.49Å; R169-Q218 PolarHBondContact O-N 2.98Å; T170-Q218 CarbonylContact C-O 3.5Å; T170-Q218 VanDerWaalsContact CA-O 3.26Å; T170-Q218 WeakPolarHBondContact CA-O 3.02Å; T170-Q218 HydrophobicContact CG2-CB 4.4Å; L171-Q218 PolarHBondContact N-O 3.4Å; V207-Q218 HydrophobicContact CG1-CB 4.29Å; G208-Q218 CarbonylContact O-C 3.59Å; G208-Q218 WeakPolarHBondContact O-CA 3.3Å
219V96.3Very high91.9Very high1 Ų153.7 Ų53.71%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-106.9116.8170.1-174.60000106.3L171 L173 I185 V188 T189 V207 G208 V210L171-V219 HydrophobicContact CB-CG2 4.4Å; L171-V219 HydrophobicContact CD1-CG2 4.32Å; L171-V219 CarbonylContact O-C 3.56Å; L171-V219 WeakPolarHBondContact O-CA 3.5Å; L173-V219 HydrophobicContact CD1-CG1 4.06Å; L173-V219 HydrophobicContact CG-CG1 4.18Å; I185-V219 HydrophobicContact CB-CG1 4.49Å; I185-V219 HydrophobicContact CD1-CB 4.47Å; I185-V219 HydrophobicContact CD1-CG1 4.27Å; I185-V219 HydrophobicContact CG1-CB 4.46Å; I185-V219 HydrophobicContact CG1-CG1 4.14Å; V188-V219 HydrophobicContact CG1-CG2 4.37Å; T189-V219 HydrophobicContact CG2-CB 4.02Å; T189-V219 HydrophobicContact CG2-CG2 3.73Å; V207-V219 CarbonylContact C-O 3.57Å; V207-V219 WeakPolarHBondContact CA-O 3.47Å; G208-V219 PolarHBondContact N-O 2.72Å; G208-V219 PolarHBondContact O-N 3.24Å; V210-V219 HydrophobicContact CG1-CG2 4.01Å
220V95.4Very high91Very high0 Ų054.1 Ų54.10%025%0.254CS..EExtended strand (participates in β ladder)trans-104.1117.8180178.60000107.9I164 T170 L171 L172 L173 L205 F206 V207 L247I164-V220 HydrophobicContact CD1-CG1 4.36Å; I164-V220 HydrophobicContact CD1-CG2 4.43Å; I164-V220 HydrophobicContact CG1-CG2 4.46Å; I164-V220 HydrophobicContact CG2-CG2 4.46Å; T170-V220 HydrophobicContact CG2-CB 4.17Å; T170-V220 HydrophobicContact CG2-CG2 3.47Å; T170-V220 VanDerWaalsContact CG2-CG2 3.47Å; L171-V220 PolarHBondContact O-N 3.23Å; L172-V220 HydrophobicContact CD1-CB 3.67Å; L172-V220 HydrophobicContact CD1-CG1 3.58Å; L173-V220 PolarHBondContact N-O 2.59Å; L205-V220 HydrophobicContact CB-CG1 4.4Å; L205-V220 HydrophobicContact CD2-CG1 4.3Å; F206-V220 CarbonylContact O-C 3.58Å; F206-V220 VanDerWaalsContact O-CA 3.29Å; F206-V220 WeakPolarHBondContact O-CA 3.44Å; V207-V220 HydrophobicContact CG2-CG2 4.29Å; V220-L247 HydrophobicContact CG1-CD1 4.44Å; V220-L247 HydrophobicContact CG2-CD1 4.42Å
221D94.5Very high90.1Very high1 Ų162.4 Ų62.41%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-87.8129.4171.8-170.626.6000109.1L173 K181 S182 I185 L205 F206L173-D221 HydrophobicContact CD1-CB 4.34Å; K181-D221 WeakPolarHBondContact CB-OD1 3.01Å; S182-D221 WeakPolarHBondContact CB-OD2 3.43Å; S182-D221 PolarHBondContact OG-OD2 2.76Å; I185-D221 HydrophobicContact CD1-CB 3.9Å; I185-D221 HydrophobicContact CG2-CB 4.29Å; L205-D221 WeakPolarHBondContact CA-O 3.26Å; F206-D221 HydrophobicContact CB-CB 4.28Å; F206-D221 PolarHBondContact N-O 3.41Å; F206-D221 VanDerWaalsContact N-O 3.11Å; F206-D221 PolarHBondContact O-N 2.94Å
222T92.8Very high89.5Confident0 Ų062 Ų620%029%0.289CS..PPolyproline II helixtrans-102.7149.8175.375.60000111L172 L173 K181 L205 A240 A243L172-T222 HydrophobicContact CD1-CG2 3.41Å; L172-T222 VanDerWaalsContact CD1-CG2 3.41Å; L172-T222 HydrophobicContact CG-CG2 4.08Å; L173-T222 WeakPolarHBondContact O-CG2 3.49Å; L173-T222 PolarHBondContact O-OG1 3.19Å; K181-T222 VanDerWaalsContact CE-O 3.25Å; K181-T222 WeakPolarHBondContact CE-O 3.47Å; L205-T222 HydrophobicContact CD2-CG2 3.79Å; T222-A240 HydrophobicContact CG2-CB 4.31Å; T222-A243 HydrophobicContact CG2-CB 4.36Å
223P92.1Very high89Confident0 Ų061.4 Ų61.40%029%0.287CS..PPolyproline II helixtrans-48.9149.6160.6-25.734.5000111.2T202 I236T202-P223 WeakPolarHBondContact O-CB 3.47Å; P223-I236 HydrophobicContact CB-CG2 3.47Å; P223-I236 VanDerWaalsContact CB-CG2 3.47Å; P223-I236 HydrophobicContact CG-CG2 3.82Å
224G86.3Confident88.7Confident3 Ų360.8 Ų60.83%0.03129%0.288CS..PPolyproline II helixtrans-59.6137.7172.400000111
225I89Confident88.4Confident1 Ų153.7 Ų53.71%0.00527%0.27CS..  trans-104.5133.6176.6-56.1168.3000107.1G175 A240 I241 L244 L271G175-I225 PolarHBondContact O-N 2.98Å; I225-A240 HydrophobicContact CD1-CB 3.66Å; I225-A240 HydrophobicContact CG1-CB 3.57Å; I225-I241 HydrophobicContact CD1-CD1 4.32Å; I225-L244 HydrophobicContact CD1-CD1 3.74Å; I225-L271 HydrophobicContact CB-CD2 4.47Å; I225-L271 HydrophobicContact CG2-CD1 4.01Å; I225-L271 WeakPolarHBondContact O-CD2 3.38Å
226L86.4Confident88.3Confident31 Ų3153 Ų5316%0.16227%0.266CS..  trans-99.2162.7169.4-62.1176.1000110.7Y176 P177 F200 H228 E237Y176-L226 HydrophobicContact CD1-CD2 3.94Å; Y176-L226 HydrophobicContact CE1-CD2 4.1Å; P177-L226 HydrophobicContact CG-CD2 3.98Å; F200-L226 HydrophobicContact CE2-CD1 4.2Å; F200-L226 HydrophobicContact CZ-CD1 3.82Å; F200-L226 HydrophobicContact CZ-CG 4.18Å; L226-H228 PolarHBondContact O-N 3.21Å; L226-E237 WeakPolarHBondContact CB-OE1 3.49Å
227D81.3Confident88Confident59 Ų5944.4 Ų44.432%0.31623%0.234SC..SBendtrans-84.158.4-176.6-160.524.5000112.6L271 N274D227-L271 HydrophobicContact CB-CB 4.27Å; D227-L271 HydrophobicContact CB-CD1 4.16Å; D227-N274 PolarHBondContact OD1-ND2 2.94Å; D227-N274 PolarHBondContact OD2-ND2 2.87Å
228H80.8Confident87.8Confident77 Ų7747.1 Ų47.136%0.35625%0.247SC..  trans-97.1149.7173.9-59.7170.1000110.3L226 D232 R233L226-H228 PolarHBondContact O-N 3.21Å; H228-D232 HydrophobicContact CB-CB 4.46Å; H228-R233 HydrophobicContact CB-CG 4.2Å; H228-R233 PolarHBondContact O-NE 3.43Å; H228-R233 PolarHBondContact O-NH2 3.37Å
229P80Confident87.7Confident83 Ų8346.6 Ų46.654%0.53925%0.245SC..  trans-50.4147166.3-24.234.1000110.7E231 D232 R233P229-E231 PolarHBondContact O-N 3.33Å; P229-D232 PolarHBondContact O-N 2.88Å; P229-R233 WeakPolarHBondContact O-CG 3.37Å; P229-R233 PolarHBondContact O-N 3.01Å
230L74.5Confident87.5Confident110 Ų11046.6 Ų46.658%0.57624%0.244SC*.G310 helixtrans-55.4-30.6-175.4-72170.3000113.4
231E77Confident87.3Confident188 Ų18847.3 Ų47.388%0.87925%0.248SC*.G310 helixtrans-73.4-29.4-179.4-61.4-178.4-178.300113.1P229P229-E231 PolarHBondContact O-N 3.33Å
232D83.5Confident87.3Confident109 Ų10947.7 Ų47.758%0.58325%0.25SS*.G310 helixtrans-94.94.3-176.8-62.6-36.7000112.6H228 P229H228-D232 HydrophobicContact CB-CB 4.46Å; P229-D232 PolarHBondContact O-N 2.88Å
233R85.9Confident87.3Confident25 Ų2547.7 Ų47.79%0.09425%0.25CS..  trans-75.4136.8-179-74.2-179.6-170.3-155.7-0.1111.8H228 P229 E237 M238 I241H228-R233 HydrophobicContact CB-CG 4.2Å; H228-R233 PolarHBondContact O-NE 3.43Å; H228-R233 PolarHBondContact O-NH2 3.37Å; P229-R233 WeakPolarHBondContact O-CG 3.37Å; P229-R233 PolarHBondContact O-N 3.01Å; R233-E237 WeakPolarHBondContact CA-OE2 3.23Å; R233-E237 HydrophobicContact CB-CB 4.18Å; R233-E237 HydrophobicContact CG-CB 4.48Å; R233-M238 HydrophobicContact CB-CG 4.08Å; R233-M238 HydrophobicContact CB-SD 4Å; R233-I241 VanDerWaalsContact NH1-CG1 3.3Å
234N89.6Confident87.3Confident95 Ų9547.7 Ų47.751%0.50825%0.25SS..  trans-69.7160.9178-70.2-37.3000111.5I236 E237 M238N234-I236 PolarHBondContact O-N 3.47Å; N234-I236 VanDerWaalsContact O-N 3.09Å; N234-E237 PolarHBondContact N-OE2 3.17Å; N234-E237 PolarHBondContact O-N 3.09Å; N234-M238 WeakPolarHBondContact O-CG 3.5Å; N234-M238 PolarHBondContact O-N 3.26Å
235T90.3Very high87.6Confident89 Ų8949.8 Ų49.855%0.54627%0.267SS..Hα-helixtrans-56.5-29.4176.356.20000113.1I85 Q239I85-T235 WeakPolarHBondContact CG2-O 3.35Å; T235-Q239 WeakPolarHBondContact O-CG 3.34Å; T235-Q239 PolarHBondContact O-N 3.01Å
236I91.3Very high87.7Confident39 Ų3952.3 Ų52.320%0.228%0.279CS..Hα-helixtrans-69.2-45.9175.7-62.6174000111F200 K203 P223 N234 Q239F200-I236 HydrophobicContact CD1-CG2 4.2Å; K203-I236 HydrophobicContact CB-CD1 4.23Å; K203-I236 HydrophobicContact CD-CD1 4.36Å; K203-I236 HydrophobicContact CG-CD1 4.15Å; P223-I236 HydrophobicContact CB-CG2 3.47Å; P223-I236 VanDerWaalsContact CB-CG2 3.47Å; P223-I236 HydrophobicContact CG-CG2 3.82Å; N234-I236 PolarHBondContact O-N 3.47Å; N234-I236 VanDerWaalsContact O-N 3.09Å; I236-Q239 WeakPolarHBondContact O-CB 3.23Å; I236-Q239 PolarHBondContact O-N 2.87Å
237E90.3Very high88Confident0 Ų050.8 Ų50.80%027%0.271CS..Hα-helixtrans-70.7-35.9-179.9-63.9175.2156.300111.3F200 L226 R233 N234 Q239 A240 I241F200-E237 HydrophobicContact CE1-CG 4.24Å; L226-E237 WeakPolarHBondContact CB-OE1 3.49Å; R233-E237 WeakPolarHBondContact CA-OE2 3.23Å; R233-E237 HydrophobicContact CB-CB 4.18Å; R233-E237 HydrophobicContact CG-CB 4.48Å; N234-E237 PolarHBondContact N-OE2 3.17Å; N234-E237 PolarHBondContact O-N 3.09Å; E237-Q239 PolarHBondContact O-N 2.85Å; E237-A240 WeakPolarHBondContact O-CB 3.42Å; E237-A240 PolarHBondContact O-N 3.05Å; E237-I241 PolarHBondContact O-N 3.27Å; E237-I241 VanDerWaalsContact O-N 3.09Å
238M91.6Very high88.4Confident57 Ų5756 Ų5628%0.28129%0.286SS..Hα-helixtrans-60.7-33175.4-74.7-60.5-70.400112.3I85 R233 N234 A240 I241 T242I85-M238 HydrophobicContact CD1-CB 3.8Å; I85-M238 HydrophobicContact CG1-CB 4.11Å; I85-M238 HydrophobicContact CG2-CB 3.93Å; R233-M238 HydrophobicContact CB-CG 4.08Å; R233-M238 HydrophobicContact CB-SD 4Å; N234-M238 WeakPolarHBondContact O-CG 3.5Å; N234-M238 PolarHBondContact O-N 3.26Å; M238-A240 VanDerWaalsContact C-N 3.31Å; M238-A240 PolarHBondContact O-N 3.41Å; M238-I241 PolarHBondContact O-N 2.69Å; M238-T242 PolarHBondContact O-N 3.21Å; M238-T242 PolarHBondContact O-OG1 3.09Å
239Q92.7Very high88.9Confident11 Ų1152.4 Ų52.45%0.05127%0.27CS..Hα-helixtrans-61.1-40.3172.9-67.6172.651.800112.2L82 I85 L86 K203 T235 I236 E237 I241 T242 A243L82-Q239 HydrophobicContact CD1-CB 4.19Å; L82-Q239 HydrophobicContact CD1-CG 3.79Å; I85-Q239 HydrophobicContact CG2-CG 4.34Å; L86-Q239 HydrophobicContact CD2-CG 4.38Å; K203-Q239 PolarHBondContact O-NE2 2.93Å; T235-Q239 WeakPolarHBondContact O-CG 3.34Å; T235-Q239 PolarHBondContact O-N 3.01Å; I236-Q239 WeakPolarHBondContact O-CB 3.23Å; I236-Q239 PolarHBondContact O-N 2.87Å; E237-Q239 PolarHBondContact O-N 2.85Å; Q239-I241 VanDerWaalsContact C-N 3.35Å; Q239-T242 PolarHBondContact O-N 3.46Å; Q239-A243 PolarHBondContact O-N 3.13Å
240A92.6Very high89.7Confident0 Ų048.5 Ų48.50%025%0.245CC..Hα-helixtrans-66.9-39.4177.400000110.8T222 I225 E237 M238 A243 L244T222-A240 HydrophobicContact CG2-CB 4.31Å; I225-A240 HydrophobicContact CD1-CB 3.66Å; I225-A240 HydrophobicContact CG1-CB 3.57Å; E237-A240 WeakPolarHBondContact O-CB 3.42Å; E237-A240 PolarHBondContact O-N 3.05Å; M238-A240 VanDerWaalsContact C-N 3.31Å; M238-A240 PolarHBondContact O-N 3.41Å; A240-A243 PolarHBondContact O-N 3.13Å; A240-L244 WeakPolarHBondContact O-CB 3.44Å; A240-L244 WeakPolarHBondContact O-CG 3.4Å; A240-L244 PolarHBondContact O-N 3.36Å
241I92.1Very high90.6Very high16 Ų1643.2 Ų43.28%0.08222%0.217CC..Hα-helixtrans-64.4-41.3173.5-69-53.6000112.6I225 R233 E237 M238 Q239 A243 L244 A245 L278I225-I241 HydrophobicContact CD1-CD1 4.32Å; R233-I241 VanDerWaalsContact NH1-CG1 3.3Å; E237-I241 PolarHBondContact O-N 3.27Å; E237-I241 VanDerWaalsContact O-N 3.09Å; M238-I241 PolarHBondContact O-N 2.69Å; Q239-I241 VanDerWaalsContact C-N 3.35Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.37Å; I241-L244 HydrophobicContact CD1-CD1 4.19Å; I241-L244 CarbonylContact O-C 3.57Å; I241-L244 PolarHBondContact O-N 3.07Å; I241-A245 WeakPolarHBondContact O-CB 3.25Å; I241-A245 PolarHBondContact O-N 3.42Å; I241-L278 HydrophobicContact CD1-CD1 3.58Å; I241-L278 HydrophobicContact CG2-CD1 4.42Å
242T92.7Very high91.5Very high8 Ų834.3 Ų34.35%0.04918%0.176CC..Hα-helixtrans-62.8-41.1175.7-56.30000112.1F78 D81 L82 I85 M238 Q239 A245 H246F78-T242 HydrophobicContact CD2-CG2 4.16Å; F78-T242 HydrophobicContact CE2-CG2 4.44Å; D81-T242 HydrophobicContact CB-CG2 3.73Å; L82-T242 HydrophobicContact CB-CG2 4.31Å; I85-T242 WeakPolarHBondContact CD1-OG1 3.06Å; M238-T242 PolarHBondContact O-N 3.21Å; M238-T242 PolarHBondContact O-OG1 3.09Å; Q239-T242 PolarHBondContact O-N 3.46Å; T242-A245 PolarHBondContact O-N 2.81Å; T242-H246 PolarHBondContact O-CD2 3.39Å; T242-H246 PolarHBondContact O-N 3.49Å; T242-H246 VanDerWaalsContact O-N 3.1Å
243A93.5Very high92.1Very high0 Ų029.1 Ų29.10%015%0.148CC..Hα-helixtrans-62.3-46.8173.600000111.1F78 L172 L205 T222 Q239 A240 I241 A245 L247F78-A243 HydrophobicContact CE2-CB 4.25Å; L172-A243 HydrophobicContact CD1-CB 4.11Å; L172-A243 HydrophobicContact CD2-CB 4.33Å; L205-A243 HydrophobicContact CD1-CB 3.98Å; L205-A243 HydrophobicContact CD2-CB 4.04Å; T222-A243 HydrophobicContact CG2-CB 4.36Å; Q239-A243 PolarHBondContact O-N 3.13Å; A240-A243 PolarHBondContact O-N 3.13Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.37Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.31Å; A243-L247 HydrophobicContact CB-CD1 3.88Å; A243-L247 WeakPolarHBondContact O-CB 3.42Å; A243-L247 VanDerWaalsContact O-CG 3.28Å; A243-L247 WeakPolarHBondContact O-CG 3.46Å; A243-L247 PolarHBondContact O-N 3.39Å
244L92.1Very high92.5Very high0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-63.8-32.9177.2-86.3174000113.8L172 C174 I225 A240 I241 V251 L278 F279 K282L172-L244 HydrophobicContact CD2-CB 4.47Å; L172-L244 HydrophobicContact CD2-CD2 3.65Å; L172-L244 HydrophobicContact CD2-CG 3.95Å; C174-L244 WeakPolarHBondContact SG-CD2 3.49Å; I225-L244 HydrophobicContact CD1-CD1 3.74Å; A240-L244 WeakPolarHBondContact O-CB 3.44Å; A240-L244 WeakPolarHBondContact O-CG 3.4Å; A240-L244 PolarHBondContact O-N 3.36Å; I241-L244 HydrophobicContact CD1-CD1 4.19Å; I241-L244 CarbonylContact O-C 3.57Å; I241-L244 PolarHBondContact O-N 3.07Å; L244-V251 HydrophobicContact CD2-CG1 4.16Å; L244-V251 HydrophobicContact CD2-CG2 4.07Å; L244-L278 HydrophobicContact CB-CD1 4.48Å; L244-F279 HydrophobicContact CD2-CD1 4.23Å; L244-F279 HydrophobicContact CD2-CE1 3.63Å; L244-K282 PolarHBondContact O-NZ 3Å
245A91.7Very high92.7Very high47 Ų4723.7 Ų23.739%0.38812%0.121SC..Hα-helixtrans-76-53.5178.600000110.9I241 T242 A243 K282I241-A245 WeakPolarHBondContact O-CB 3.25Å; I241-A245 PolarHBondContact O-N 3.42Å; T242-A245 PolarHBondContact O-N 2.81Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.31Å; A245-K282 PolarHBondContact O-NZ 3.19Å; A245-K282 VanDerWaalsContact O-NZ 3.08Å
246H91.9Very high92.9Very high54 Ų5419.4 Ų19.425%0.2510%0.095CC..Hα-helixtrans-92.7-25.5-165.8-67.7-71.7000115.8F78 D81 T242F78-H246 HydrophobicContact CB-CB 3.7Å; F78-H246 HydrophobicContact CD2-CB 4.02Å; F78-H246 HydrophobicContact CG-CB 4.33Å; D81-H246 IonicContact OD2-CD2 2.95Å; D81-H246 IonicContact OD2-CE1 3.48Å; D81-H246 PolarHBondContact OD2-CE1 3.37Å; D81-H246 IonicContact OD2-NE2 3.95Å; D81-H246 PolarHBondContact OD2-NE2 3.12Å; T242-H246 PolarHBondContact O-CD2 3.39Å; T242-H246 PolarHBondContact O-N 3.49Å; T242-H246 VanDerWaalsContact O-N 3.1Å
247L92.8Very high92.9Very high0 Ų017.6 Ų17.60%09%0.086CC..  trans-76.8131.2-177.3-61.2178.3000111F78 I164 P166 T170 L172 V220 A243 A249 K282F78-L247 HydrophobicContact CD1-CD2 4.26Å; F78-L247 HydrophobicContact CD2-CD2 3.98Å; F78-L247 HydrophobicContact CD2-CG 4.18Å; F78-L247 HydrophobicContact CE1-CD2 4.3Å; F78-L247 HydrophobicContact CE2-CD1 4.28Å; F78-L247 HydrophobicContact CE2-CD2 4.03Å; F78-L247 HydrophobicContact CE2-CG 4.05Å; F78-L247 HydrophobicContact CG-CD2 4.1Å; F78-L247 HydrophobicContact CZ-CD1 4.49Å; F78-L247 HydrophobicContact CZ-CD2 4.18Å; I164-L247 HydrophobicContact CG2-CD1 4.4Å; I164-L247 HydrophobicContact CG2-CD2 3.77Å; P166-L247 HydrophobicContact CB-CD2 4.03Å; T170-L247 HydrophobicContact CG2-CD1 4.49Å; L172-L247 HydrophobicContact CD1-CD1 4.21Å; V220-L247 HydrophobicContact CG1-CD1 4.44Å; V220-L247 HydrophobicContact CG2-CD1 4.42Å; A243-L247 HydrophobicContact CB-CD1 3.88Å; A243-L247 WeakPolarHBondContact O-CB 3.42Å; A243-L247 VanDerWaalsContact O-CG 3.28Å; A243-L247 WeakPolarHBondContact O-CG 3.46Å; A243-L247 PolarHBondContact O-N 3.39Å; L247-A249 VanDerWaalsContact C-N 3.29Å; L247-A249 HydrophobicContact CB-CB 4.39Å; L247-A249 PolarHBondContact O-N 3.1Å; L247-A249 VanDerWaalsContact O-N 3.08Å; L247-K282 WeakPolarHBondContact O-CE 3.19Å; L247-K282 PolarHBondContact O-NZ 3.45Å
248R89.8Confident92.7Very high167 Ų16718.2 Ų18.263%0.639%0.09SC*.  trans-83.776.4171.7-67.7-177.2175.5177-2.1109.8
249A92Very high92.5Very high2 Ų219.5 Ų19.52%0.01710%0.095CC..EExtended strand (participates in β ladder)trans-116.3163.9-172.200000112.6T170 L172 L247T170-A249 HydrophobicContact CG2-CB 4.09Å; T170-A249 CarbonylContact O-C 3.55Å; T170-A249 WeakPolarHBondContact O-CA 3.45Å; T170-A249 WeakPolarHBondContact O-CB 3.25Å; L172-A249 HydrophobicContact CB-CB 3.85Å; L247-A249 VanDerWaalsContact C-N 3.29Å; L247-A249 HydrophobicContact CB-CB 4.39Å; L247-A249 PolarHBondContact O-N 3.1Å; L247-A249 VanDerWaalsContact O-N 3.08Å
250A95.1Very high92.3Very high1 Ų124.8 Ų24.81%0.00812%0.12CC..EExtended strand (participates in β ladder)trans-82.9132.4151.800000108.2T170 L171 L172 P283 L339T170-A250 PolarHBondContact O-N 2.97Å; L171-A250 CarbonylContact C-O 3.59Å; L171-A250 WeakPolarHBondContact CA-O 3.38Å; L171-A250 HydrophobicContact CD2-CB 3.73Å; L172-A250 PolarHBondContact N-O 2.69Å; A250-P283 CarbonylContact C-O 3.54Å; A250-P283 VanDerWaalsContact CA-O 3.31Å; A250-P283 WeakPolarHBondContact CA-O 3.39Å; A250-P283 HydrophobicContact CB-CG 3.82Å; A250-L339 HydrophobicContact CB-CB 4.16Å; A250-L339 HydrophobicContact CB-CD1 4.36Å; A250-L339 HydrophobicContact CB-CD2 4.43Å
251V95.3Very high92Very high0 Ų025.3 Ų25.30%012%0.123CC..EExtended strand (participates in β ladder)trans-95.3127.1179.7-177.90000108.5C174 L244 F279 K282 P283 L284 I285C174-V251 HydrophobicContact CB-CG1 4.3Å; L244-V251 HydrophobicContact CD2-CG1 4.16Å; L244-V251 HydrophobicContact CD2-CG2 4.07Å; V251-F279 HydrophobicContact CB-CD1 4.45Å; V251-F279 HydrophobicContact CB-CE1 4.41Å; V251-F279 HydrophobicContact CG1-CD1 4.28Å; V251-F279 HydrophobicContact CG1-CE1 3.76Å; V251-F279 HydrophobicContact CG1-CZ 4.21Å; V251-F279 HydrophobicContact CG2-CD1 4.08Å; V251-F279 HydrophobicContact CG2-CE1 4.29Å; V251-K282 HydrophobicContact CG2-CB 4.31Å; V251-K282 HydrophobicContact CG2-CD 4.19Å; V251-P283 PolarHBondContact N-O 3.31Å; V251-L284 HydrophobicContact CB-CD1 3.79Å; V251-L284 HydrophobicContact CG1-CD1 3.79Å; V251-L284 WeakPolarHBondContact O-CA 3.36Å; V251-I285 PolarHBondContact O-N 3.01Å
252L95.8Very high91.8Very high0 Ų027.6 Ų27.60%015%0.151CC..EExtended strand (participates in β ladder)trans-103.6108.8170.6-64.9179.5000107.1L172 L173 C174 F184 I285 V287 V331 A335L172-L252 PolarHBondContact O-N 2.85Å; L173-L252 HydrophobicContact CD2-CB 3.91Å; L173-L252 HydrophobicContact CD2-CD1 3.63Å; L173-L252 HydrophobicContact CD2-CG 4.33Å; C174-L252 PolarHBondContact N-O 3.47Å; F184-L252 HydrophobicContact CE1-CD1 3.88Å; F184-L252 HydrophobicContact CZ-CD1 4.24Å; L252-I285 HydrophobicContact CD2-CB 3.78Å; L252-I285 HydrophobicContact CD2-CD1 4.32Å; L252-I285 HydrophobicContact CD2-CG1 4.44Å; L252-I285 HydrophobicContact CD2-CG2 4.19Å; L252-V287 HydrophobicContact CB-CG2 4.29Å; L252-V287 HydrophobicContact CD2-CG2 4.09Å; L252-V331 HydrophobicContact CD1-CG1 4Å; L252-V331 HydrophobicContact CD2-CG1 3.73Å; L252-A335 HydrophobicContact CD2-CB 3.86Å
253Y95.5Very high91.6Very high1 Ų129.6 Ų29.60%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-91.8109176.8-169.8-99.2000109.3C174 M255 Q268 F272 I275 I285 V286 V287C174-Y253 WeakPolarHBondContact O-CA 3.29Å; Y253-M255 HydrophobicContact CD1-CG 3.64Å; Y253-M255 HydrophobicContact CD1-SD 4.17Å; Y253-M255 HydrophobicContact CE1-CG 3.47Å; Y253-M255 VanDerWaalsContact CE1-CG 3.47Å; Y253-M255 HydrophobicContact CE1-SD 4.02Å; Y253-Q268 PolarHBondContact OH-O 2.87Å; Y253-F272 HydrophobicContact CD1-CB 4.44Å; Y253-F272 AromaticContact CD1-CD2 3.77Å; Y253-F272 HydrophobicContact CD1-CD2 3.77Å; Y253-F272 HydrophobicContact CD1-CG 4.42Å; Y253-F272 HydrophobicContact CD2-CD2 4.02Å; Y253-F272 HydrophobicContact CE1-CB 3.8Å; Y253-F272 AromaticContact CE1-CD2 3.98Å; Y253-F272 HydrophobicContact CE1-CD2 3.98Å; Y253-F272 HydrophobicContact CE1-CG 4.26Å; Y253-F272 HydrophobicContact CE2-CB 4.35Å; Y253-F272 HydrophobicContact CE2-CD2 4.22Å; Y253-F272 AromaticContact CG-CD2 3.79Å; Y253-F272 HydrophobicContact CG-CD2 3.79Å; Y253-F272 HydrophobicContact CG-CE2 4.36Å; Y253-I275 HydrophobicContact CD2-CD1 4.05Å; Y253-I275 HydrophobicContact CE2-CD1 3.65Å; Y253-I285 PolarHBondContact N-O 3.45Å; Y253-V286 WeakPolarHBondContact O-CA 3.39Å; Y253-V287 PolarHBondContact O-N 3.47Å
254V95Very high91.5Very high5 Ų530.8 Ų30.83%0.0317%0.172CC..EExtended strand (participates in β ladder)trans-92.7114.7-174.7-172.40000109.6C174 V179 K181 V287C174-V254 PolarHBondContact O-N 3.28Å; V179-V254 HydrophobicContact CB-CG1 4.12Å; V179-V254 HydrophobicContact CG2-CB 3.86Å; V179-V254 HydrophobicContact CG2-CG1 3.71Å; K181-V254 HydrophobicContact CG-CB 4.1Å; K181-V254 HydrophobicContact CG-CG2 4.03Å; V254-V287 WeakPolarHBondContact CA-O 3.47Å; V254-V287 HydrophobicContact CG2-CB 4.35Å
255M93.8Very high91.4Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-104.6143.5173.9-66.6-177.672.200109.7Y253 L265 Q268 V286 V287 S289 F307 L310Y253-M255 HydrophobicContact CD1-CG 3.64Å; Y253-M255 HydrophobicContact CD1-SD 4.17Å; Y253-M255 HydrophobicContact CE1-CG 3.47Å; Y253-M255 VanDerWaalsContact CE1-CG 3.47Å; Y253-M255 HydrophobicContact CE1-SD 4.02Å; M255-L265 HydrophobicContact CE-CD2 4.35Å; M255-Q268 VanDerWaalsContact CA-OE1 3.3Å; M255-Q268 HydrophobicContact CE-CB 3.88Å; M255-V286 HydrophobicContact CG-CG1 4.23Å; M255-V286 HydrophobicContact SD-CG1 3.7Å; M255-V287 PolarHBondContact N-O 2.98Å; M255-S289 WeakPolarHBondContact O-CB 3.15Å; M255-S289 PolarHBondContact O-N 3.42Å; M255-F307 HydrophobicContact CE-CE1 4.29Å; M255-F307 HydrophobicContact CE-CZ 4.38Å; M255-F307 HydrophobicContact SD-CE1 4.08Å; M255-L310 HydrophobicContact SD-CD1 4.36Å
256D93.8Very high91.3Very high0 Ų034.9 Ų34.90%018%0.181CC..EExtended strand (participates in β ladder)trans-102.2113.3177.5-178.5-0.8000109.9V179 S258 C261 Q268 K290V179-D256 HydrophobicContact CB-CB 4.15Å; V179-D256 HydrophobicContact CG1-CB 3.98Å; D256-S258 VanDerWaalsContact C-N 3.26Å; D256-S258 VanDerWaalsContact CG-OG 3.32Å; D256-S258 PolarHBondContact O-N 2.83Å; D256-S258 WeakPolarHBondContact OD1-CB 3.49Å; D256-S258 PolarHBondContact OD1-N 3.4Å; D256-S258 PolarHBondContact OD1-OG 2.82Å; D256-S258 PolarHBondContact OD2-OG 2.94Å; D256-C261 HydrophobicContact CB-CB 4.24Å; D256-C261 PolarHBondContact OD2-N 3.17Å; D256-Q268 PolarHBondContact O-NE2 3.39Å; D256-Q268 VanDerWaalsContact O-NE2 3.13Å; D256-K290 WeakPolarHBondContact OD1-CD 3.31Å; D256-K290 IonicContact OD1-NZ 3.71Å; D256-K290 WeakPolarHBondContact OD2-CE 3.45Å; D256-K290 IonicContact OD2-NZ 2.72Å; D256-K290 PolarHBondContact OD2-NZ 3.04Å
257L90.5Very high91.2Very high1 Ų137.1 Ų37.11%0.00519%0.192CC..THydrogen-bonded Turntrans-70.2-22.4179.2-60.5-174.7000113.4A288 S289 C291 K294 I296 L299 F307L257-A288 HydrophobicContact CD1-CB 3.95Å; L257-A288 HydrophobicContact CD2-CB 3.86Å; L257-A288 HydrophobicContact CG-CB 3.93Å; L257-S289 PolarHBondContact N-O 3.08Å; L257-C291 HydrophobicContact CD1-CB 4.3Å; L257-K294 WeakPolarHBondContact CD1-O 3.05Å; L257-I296 HydrophobicContact CD1-CG1 3.76Å; L257-I296 HydrophobicContact CD2-CG1 4.33Å; L257-L299 HydrophobicContact CD2-CD1 4.11Å; L257-F307 HydrophobicContact CD2-CE1 4.29Å; L257-F307 HydrophobicContact CD2-CE2 3.89Å; L257-F307 HydrophobicContact CD2-CZ 3.44Å; L257-F307 VanDerWaalsContact CD2-CZ 3.44Å
258S87.7Confident91.2Very high13 Ų1337.1 Ų37.19%0.09119%0.192CC..THydrogen-bonded Turntrans-84.8-11.9-17472.50000113.7D256 Q260D256-S258 VanDerWaalsContact C-N 3.26Å; D256-S258 VanDerWaalsContact CG-OG 3.32Å; D256-S258 PolarHBondContact O-N 2.83Å; D256-S258 WeakPolarHBondContact OD1-CB 3.49Å; D256-S258 PolarHBondContact OD1-N 3.4Å; D256-S258 PolarHBondContact OD1-OG 2.82Å; D256-S258 PolarHBondContact OD2-OG 2.94Å; S258-Q260 PolarHBondContact O-N 3.21Å; S258-Q260 VanDerWaalsContact O-N 3.1Å; S258-Q260 WeakPolarHBondContact OG-CB 3.29Å; S258-Q260 VanDerWaalsContact OG-CG 3.24Å; S258-Q260 WeakPolarHBondContact OG-CG 3.36Å; S258-Q260 PolarHBondContact OG-N 3.41Å
259E85.9Confident91.2Very high84 Ų8430.7 Ų30.739%0.39317%0.17SC..  trans609.2-172.4-52.9-173.9138.400114.6C261 G262 G264 L265E259-C261 PolarHBondContact O-N 3.4Å; E259-C261 VanDerWaalsContact O-N 3.17Å; E259-G262 PolarHBondContact O-N 3.28Å; E259-G264 WeakPolarHBondContact OE1-CA 3.4Å; E259-L265 HydrophobicContact CG-CG 4.48Å; E259-L265 PolarHBondContact OE1-N 3.42Å
260Q88.1Confident91.2Very high121 Ų12131.5 Ų31.557%0.56518%0.178SC*.THydrogen-bonded Turntrans-68.2-13.1178.7-67.9175.3-0.300113.6S258 G262S258-Q260 PolarHBondContact O-N 3.21Å; S258-Q260 VanDerWaalsContact O-N 3.1Å; S258-Q260 WeakPolarHBondContact OG-CB 3.29Å; S258-Q260 VanDerWaalsContact OG-CG 3.24Å; S258-Q260 WeakPolarHBondContact OG-CG 3.36Å; S258-Q260 PolarHBondContact OG-N 3.41Å; Q260-G262 PolarHBondContact O-N 2.85Å
261C87.9Confident90.9Very high11 Ų1131.4 Ų31.47%0.07418%0.178CC..THydrogen-bonded Turntrans-68.6-11.7175.565.60000113.6N178 V179 D256 E259 H263 Q268N178-C261 HydrophobicContact CB-CB 4.34Å; V179-C261 HydrophobicContact CG1-CB 3.95Å; D256-C261 HydrophobicContact CB-CB 4.24Å; D256-C261 PolarHBondContact OD2-N 3.17Å; E259-C261 PolarHBondContact O-N 3.4Å; E259-C261 VanDerWaalsContact O-N 3.17Å; C261-H263 PolarHBondContact SG-O 3.23Å; C261-H263 VanDerWaalsContact SG-O 3.41Å; C261-Q268 PolarHBondContact SG-NE2 3.44Å
262G87.2Confident90.7Very high65 Ų6531.5 Ų31.567%0.6718%0.178SC*.SBendtrans961.5-178.200000114.3E259 Q260E259-G262 PolarHBondContact O-N 3.28Å; Q260-G262 PolarHBondContact O-N 2.85Å
263H88.9Confident90.5Very high50 Ų5036.8 Ų36.823%0.23120%0.203CC..SBendtrans-130.7132.3-179.4-65.2-75.9000110.7Y176 C261 E267 Q268Y176-H263 HydrophobicContact CD1-CB 4.18Å; Y176-H263 AromaticContact CD1-CD2 3.22Å; Y176-H263 WeakPolarHBondContact CD1-CD2 3.42Å; Y176-H263 AromaticContact CD1-CG 3.64Å; Y176-H263 AromaticContact CD1-NE2 3.66Å; Y176-H263 HydrophobicContact CE1-CB 4.12Å; Y176-H263 AromaticContact CE1-CD2 3.54Å; Y176-H263 AromaticContact CE1-CE1 3.91Å; Y176-H263 AromaticContact CE1-CG 3.54Å; Y176-H263 AromaticContact CE1-ND1 3.79Å; Y176-H263 AromaticContact CE1-NE2 3.75Å; C261-H263 PolarHBondContact SG-O 3.23Å; C261-H263 VanDerWaalsContact SG-O 3.41Å; H263-E267 HydrophobicContact CB-CB 4.38Å; H263-E267 WeakPolarHBondContact CB-OE2 3.46Å; H263-E267 IonicContact CE1-OE2 3.92Å; H263-E267 IonicContact CG-OE2 3.51Å; H263-E267 IonicContact ND1-OE2 2.75Å; H263-E267 PolarHBondContact ND1-OE2 2.99Å; H263-Q268 HydrophobicContact CB-CG 4.45Å; H263-Q268 PolarHBondContact O-NE2 2.93Å; H263-Q268 VanDerWaalsContact O-NE2 3.09Å
264G90.4Very high90.1Very high25 Ų2541.4 Ų41.426%0.25823%0.227SC..  trans-69.7162.9177.400000112.8E259 K266 E267 Q268E259-G264 WeakPolarHBondContact OE1-CA 3.4Å; G264-K266 VanDerWaalsContact C-N 3.26Å; G264-K266 PolarHBondContact O-N 3.11Å; G264-E267 PolarHBondContact O-N 2.89Å; G264-E267 VanDerWaalsContact O-N 3.13Å; G264-Q268 WeakPolarHBondContact O-CG 3.36Å; G264-Q268 PolarHBondContact O-N 2.78Å
265L89.6Confident89.9Confident4 Ų441.3 Ų41.32%0.02123%0.227CC..Hα-helixtrans-59.1-34.3-177.8-71.3173.8000113.7M255 E259 Q268 L269 L299 D303 F307M255-L265 HydrophobicContact CE-CD2 4.35Å; E259-L265 HydrophobicContact CG-CG 4.48Å; E259-L265 PolarHBondContact OE1-N 3.42Å; L265-Q268 WeakPolarHBondContact O-CB 3.43Å; L265-Q268 PolarHBondContact O-N 2.87Å; L265-L269 PolarHBondContact O-N 3.48Å; L265-L299 HydrophobicContact CD1-CD1 4.4Å; L265-L299 HydrophobicContact CD1-CD2 4.2Å; L265-D303 HydrophobicContact CD1-CB 3.88Å; L265-F307 HydrophobicContact CD2-CZ 4.35Å
266K90.4Very high89.6Confident128 Ų12846.4 Ų46.456%0.55725%0.246SC*.Hα-helixtrans-64.5-40.2176.9-67.5179.3-179.6174.80112.2G264 L269 G270 E302 I306G264-K266 VanDerWaalsContact C-N 3.26Å; G264-K266 PolarHBondContact O-N 3.11Å; K266-L269 PolarHBondContact O-N 2.88Å; K266-G270 PolarHBondContact O-N 2.91Å; K266-E302 IonicContact NZ-OE2 3.72Å; K266-E302 PolarHBondContact NZ-OE2 2.95Å; K266-I306 HydrophobicContact CG-CD1 4.48Å
267E90.8Very high89.4Confident102 Ų10250.6 Ų50.648%0.47727%0.273SS..Hα-helixtrans-68-41174.2-64.2179.8-176.900110.9Y176 H263 G264 L269 G270 L271Y176-E267 PolarHBondContact OH-O 2.84Å; H263-E267 HydrophobicContact CB-CB 4.38Å; H263-E267 WeakPolarHBondContact CB-OE2 3.46Å; H263-E267 IonicContact CE1-OE2 3.92Å; H263-E267 IonicContact CG-OE2 3.51Å; H263-E267 IonicContact ND1-OE2 2.75Å; H263-E267 PolarHBondContact ND1-OE2 2.99Å; G264-E267 PolarHBondContact O-N 2.89Å; G264-E267 VanDerWaalsContact O-N 3.13Å; E267-L269 VanDerWaalsContact C-N 3.27Å; E267-L269 PolarHBondContact O-N 2.9Å; E267-G270 WeakPolarHBondContact O-CA 3.48Å; E267-G270 PolarHBondContact O-N 3.04Å; E267-L271 PolarHBondContact O-N 3.37Å
268Q91.6Very high89.3Confident0 Ų053.1 Ų53.10%029%0.286CS..Hα-helixtrans-56.7-43175.3-65.8-176.945.200112.1Y176 Y253 M255 D256 C261 H263 G264 L265 F272Y176-Q268 HydrophobicContact CD2-CB 4.36Å; Y176-Q268 HydrophobicContact CD2-CG 3.86Å; Y176-Q268 HydrophobicContact CE2-CB 4.22Å; Y176-Q268 HydrophobicContact CE2-CG 4.04Å; Y253-Q268 PolarHBondContact OH-O 2.87Å; M255-Q268 VanDerWaalsContact CA-OE1 3.3Å; M255-Q268 HydrophobicContact CE-CB 3.88Å; D256-Q268 PolarHBondContact O-NE2 3.39Å; D256-Q268 VanDerWaalsContact O-NE2 3.13Å; C261-Q268 PolarHBondContact SG-NE2 3.44Å; H263-Q268 HydrophobicContact CB-CG 4.45Å; H263-Q268 PolarHBondContact O-NE2 2.93Å; H263-Q268 VanDerWaalsContact O-NE2 3.09Å; G264-Q268 WeakPolarHBondContact O-CG 3.36Å; G264-Q268 PolarHBondContact O-N 2.78Å; L265-Q268 WeakPolarHBondContact O-CB 3.43Å; L265-Q268 PolarHBondContact O-N 2.87Å; Q268-F272 PolarHBondContact O-N 2.91Å
269L90.8Very high89.2Confident31 Ų3153.2 Ų53.216%0.16229%0.285CS..Hα-helixtrans-66.8-37.6173.5-175.270.3000112.7L265 K266 E267 L271 F272 Q273 I306 L310L265-L269 PolarHBondContact O-N 3.48Å; K266-L269 PolarHBondContact O-N 2.88Å; E267-L269 VanDerWaalsContact C-N 3.27Å; E267-L269 PolarHBondContact O-N 2.9Å; L269-L271 PolarHBondContact O-N 3.09Å; L269-F272 HydrophobicContact CD1-CD1 4.25Å; L269-F272 WeakPolarHBondContact O-CB 3.29Å; L269-F272 PolarHBondContact O-N 3.17Å; L269-F272 VanDerWaalsContact O-N 3.16Å; L269-Q273 HydrophobicContact CG-CG 4.46Å; L269-Q273 WeakPolarHBondContact O-CG 3.42Å; L269-Q273 PolarHBondContact O-N 3.48Å; L269-I306 HydrophobicContact CB-CG2 4.43Å; L269-I306 HydrophobicContact CD1-CG2 3.88Å; L269-I306 HydrophobicContact CD2-CG1 4.37Å; L269-I306 HydrophobicContact CD2-CG2 3.74Å; L269-I306 HydrophobicContact CG-CG2 4.22Å; L269-L310 HydrophobicContact CD1-CD1 4.28Å; L269-L310 HydrophobicContact CD1-CD2 4.17Å; L269-L310 HydrophobicContact CD1-CG 4.4Å
270G90.6Very high89.2Confident19 Ų1954.9 Ų54.920%0.19630%0.296CS..Hα-helixtrans-55.8-50.3175.700000112.3K266 E267 F272 Q273 N274K266-G270 PolarHBondContact O-N 2.91Å; E267-G270 WeakPolarHBondContact O-CA 3.48Å; E267-G270 PolarHBondContact O-N 3.04Å; G270-F272 VanDerWaalsContact C-N 3.31Å; G270-F272 PolarHBondContact O-N 2.83Å; G270-Q273 PolarHBondContact O-N 3.18Å; G270-N274 VanDerWaalsContact O-CG 3.32Å; G270-N274 PolarHBondContact O-N 3.42Å; G270-N274 PolarHBondContact O-ND2 3.5Å
271L90.4Very high89.1Confident0 Ų055.3 Ų55.30%030%0.302CS..Hα-helixtrans-58.9-44.7174.8178.164.9000111.5Y176 I225 D227 E267 L269 Q273 N274 I275Y176-L271 HydrophobicContact CD2-CD2 3.62Å; Y176-L271 HydrophobicContact CE1-CD2 4.49Å; Y176-L271 HydrophobicContact CE2-CB 3.47Å; Y176-L271 VanDerWaalsContact CE2-CB 3.47Å; Y176-L271 HydrophobicContact CE2-CD2 3.3Å; Y176-L271 HydrophobicContact CE2-CG 4Å; Y176-L271 HydrophobicContact CG-CD2 4.31Å; Y176-L271 WeakPolarHBondContact OH-CB 3.31Å; I225-L271 HydrophobicContact CB-CD2 4.47Å; I225-L271 HydrophobicContact CG2-CD1 4.01Å; I225-L271 WeakPolarHBondContact O-CD2 3.38Å; D227-L271 HydrophobicContact CB-CB 4.27Å; D227-L271 HydrophobicContact CB-CD1 4.16Å; E267-L271 PolarHBondContact O-N 3.37Å; L269-L271 PolarHBondContact O-N 3.09Å; L271-Q273 VanDerWaalsContact C-N 3.33Å; L271-Q273 PolarHBondContact O-N 2.76Å; L271-N274 PolarHBondContact O-N 2.86Å; L271-I275 HydrophobicContact CD1-CG2 3.95Å; L271-I275 HydrophobicContact CG-CD1 4.44Å; L271-I275 VanDerWaalsContact O-CG1 3.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.22Å; L271-I275 PolarHBondContact O-N 2.98Å
272F91.2Very high89.3Confident2 Ų256.4 Ų56.41%0.00931%0.305CS..Hα-helixtrans-56.7-46.7179.4176.3-103000111.8Y253 Q268 L269 G270 N274 I275 R276 F279 L284 L310 F315Y253-F272 HydrophobicContact CD1-CB 4.44Å; Y253-F272 AromaticContact CD1-CD2 3.77Å; Y253-F272 HydrophobicContact CD1-CD2 3.77Å; Y253-F272 HydrophobicContact CD1-CG 4.42Å; Y253-F272 HydrophobicContact CD2-CD2 4.02Å; Y253-F272 HydrophobicContact CE1-CB 3.8Å; Y253-F272 AromaticContact CE1-CD2 3.98Å; Y253-F272 HydrophobicContact CE1-CD2 3.98Å; Y253-F272 HydrophobicContact CE1-CG 4.26Å; Y253-F272 HydrophobicContact CE2-CB 4.35Å; Y253-F272 HydrophobicContact CE2-CD2 4.22Å; Y253-F272 AromaticContact CG-CD2 3.79Å; Y253-F272 HydrophobicContact CG-CD2 3.79Å; Y253-F272 HydrophobicContact CG-CE2 4.36Å; Q268-F272 PolarHBondContact O-N 2.91Å; L269-F272 HydrophobicContact CD1-CD1 4.25Å; L269-F272 WeakPolarHBondContact O-CB 3.29Å; L269-F272 PolarHBondContact O-N 3.17Å; L269-F272 VanDerWaalsContact O-N 3.16Å; G270-F272 VanDerWaalsContact C-N 3.31Å; G270-F272 PolarHBondContact O-N 2.83Å; F272-N274 VanDerWaalsContact C-N 3.35Å; F272-I275 PolarHBondContact O-N 3.31Å; F272-R276 WeakPolarHBondContact O-CB 3.08Å; F272-R276 PolarHBondContact O-N 3Å; F272-F279 HydrophobicContact CD2-CE2 4.08Å; F272-F279 HydrophobicContact CE2-CD2 4.35Å; F272-F279 AromaticContact CE2-CE2 3.76Å; F272-F279 HydrophobicContact CE2-CE2 3.76Å; F272-L284 HydrophobicContact CE2-CD1 4.35Å; F272-L284 HydrophobicContact CE2-CD2 3.35Å; F272-L284 HydrophobicContact CE2-CG 4.4Å; F272-L284 HydrophobicContact CZ-CD2 3.38Å; F272-L310 HydrophobicContact CD1-CD2 3.86Å; F272-L310 HydrophobicContact CE1-CD2 3.43Å; F272-L310 VanDerWaalsContact CE1-CD2 3.43Å; F272-L310 HydrophobicContact CZ-CD2 4.13Å; F272-F315 HydrophobicContact CZ-CD2 4.22Å; F272-F315 HydrophobicContact CZ-CE2 4.13Å
273Q89.9Confident89.6Confident110 Ų11054.4 Ų54.451%0.51428%0.28SS..Hα-helixtrans-63.8-40.2177.4-69.1175.70.400111.6L269 G270 L271 R276L269-Q273 HydrophobicContact CG-CG 4.46Å; L269-Q273 WeakPolarHBondContact O-CG 3.42Å; L269-Q273 PolarHBondContact O-N 3.48Å; G270-Q273 PolarHBondContact O-N 3.18Å; L271-Q273 VanDerWaalsContact C-N 3.33Å; L271-Q273 PolarHBondContact O-N 2.76Å; Q273-R276 VanDerWaalsContact O-CB 3.26Å; Q273-R276 WeakPolarHBondContact O-CB 3.35Å; Q273-R276 PolarHBondContact O-N 3.27Å
274N88.4Confident89.9Confident98 Ų9852.2 Ų52.252%0.52427%0.27SS..Hα-helixtrans-68.1-35.6179.9-72-18.8000113.3D227 G270 L271 F272 P277D227-N274 PolarHBondContact OD1-ND2 2.94Å; D227-N274 PolarHBondContact OD2-ND2 2.87Å; G270-N274 VanDerWaalsContact O-CG 3.32Å; G270-N274 PolarHBondContact O-N 3.42Å; G270-N274 PolarHBondContact O-ND2 3.5Å; L271-N274 PolarHBondContact O-N 2.86Å; F272-N274 VanDerWaalsContact C-N 3.35Å; N274-P277 WeakPolarHBondContact O-CD 3.22Å
275I89.3Confident90.1Very high3 Ų351.1 Ų51.12%0.01526%0.259CS..Hα-helixtrans-89.8-9.2177.469.2-178000113.6Y253 L271 F272 P277 L278 F279Y253-I275 HydrophobicContact CD2-CD1 4.05Å; Y253-I275 HydrophobicContact CE2-CD1 3.65Å; L271-I275 HydrophobicContact CD1-CG2 3.95Å; L271-I275 HydrophobicContact CG-CD1 4.44Å; L271-I275 VanDerWaalsContact O-CG1 3.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.22Å; L271-I275 PolarHBondContact O-N 2.98Å; F272-I275 PolarHBondContact O-N 3.31Å; I275-P277 VanDerWaalsContact C-N 3.28Å; I275-P277 VanDerWaalsContact O-N 3.15Å; I275-L278 WeakPolarHBondContact O-CB 3.16Å; I275-L278 PolarHBondContact O-N 3.25Å; I275-F279 HydrophobicContact CB-CZ 4.34Å; I275-F279 HydrophobicContact CD1-CE1 4.35Å; I275-F279 HydrophobicContact CD1-CE2 4.19Å; I275-F279 HydrophobicContact CD1-CZ 3.49Å; I275-F279 VanDerWaalsContact CD1-CZ 3.49Å; I275-F279 HydrophobicContact CG1-CE1 4.36Å; I275-F279 HydrophobicContact CG1-CE2 3.76Å; I275-F279 HydrophobicContact CG1-CZ 3.46Å; I275-F279 VanDerWaalsContact CG1-CZ 3.46Å
276R88.2Confident90.4Very high107 Ų10750.9 Ų50.940%0.40426%0.258SS..G310 helixtrans-47.3-40.1178.9-172.5178.6178.7168.56.3114.1F272 Q273 L278 F279 E313F272-R276 WeakPolarHBondContact O-CB 3.08Å; F272-R276 PolarHBondContact O-N 3Å; Q273-R276 VanDerWaalsContact O-CB 3.26Å; Q273-R276 WeakPolarHBondContact O-CB 3.35Å; Q273-R276 PolarHBondContact O-N 3.27Å; R276-L278 PolarHBondContact O-N 2.83Å; R276-L278 VanDerWaalsContact O-N 3.12Å; R276-F279 WeakPolarHBondContact O-CB 3.27Å; R276-F279 PolarHBondContact O-N 2.93Å; R276-E313 IonicContact CZ-OE1 3.68Å; R276-E313 VanDerWaalsContact CZ-OE1 3.26Å; R276-E313 IonicContact CZ-OE2 3.89Å; R276-E313 VanDerWaalsContact CZ-OE2 3.32Å; R276-E313 IonicContact NH1-OE1 3.31Å; R276-E313 PolarHBondContact NH1-OE1 3.35Å; R276-E313 IonicContact NH1-OE2 2.86Å; R276-E313 PolarHBondContact NH1-OE2 3.4Å; R276-E313 IonicContact NH2-OE1 2.99Å; R276-E313 PolarHBondContact NH2-OE1 3.49Å; R276-E313 IonicContact NH2-OE2 3.37Å; R276-E313 PolarHBondContact NH2-OE2 3.24Å; R276-E313 VanDerWaalsContact NH2-OE2 3.1Å
277P89.8Confident90.6Very high88 Ų8844.9 Ų44.957%0.57123%0.231SC*.G310 helixtrans-59.9-22.6177.7-25.736.5000114.6N274 I275 F279 I280N274-P277 WeakPolarHBondContact O-CD 3.22Å; I275-P277 VanDerWaalsContact C-N 3.28Å; I275-P277 VanDerWaalsContact O-N 3.15Å; P277-F279 VanDerWaalsContact C-N 3.3Å; P277-F279 PolarHBondContact O-N 3.48Å; P277-I280 VanDerWaalsContact O-CD1 3.31Å; P277-I280 WeakPolarHBondContact O-CD1 3.25Å; P277-I280 WeakPolarHBondContact O-CG1 3.16Å
278L87.6Confident90.8Very high54 Ų5440 Ų4028%0.28321%0.209SC..G310 helixtrans-79.8-11.6178.9-60.6173.4000113.2I241 L244 I275 R276I241-L278 HydrophobicContact CD1-CD1 3.58Å; I241-L278 HydrophobicContact CG2-CD1 4.42Å; L244-L278 HydrophobicContact CB-CD1 4.48Å; I275-L278 WeakPolarHBondContact O-CB 3.16Å; I275-L278 PolarHBondContact O-N 3.25Å; R276-L278 PolarHBondContact O-N 2.83Å; R276-L278 VanDerWaalsContact O-N 3.12Å
279F86.3Confident90.9Very high16 Ų1640.1 Ų40.17%0.0721%0.209CC..G310 helixtrans-90.34.5-176.6-54.7-34.4000114.2L244 V251 F272 I275 R276 P277 N281 K282 L284L244-F279 HydrophobicContact CD2-CD1 4.23Å; L244-F279 HydrophobicContact CD2-CE1 3.63Å; V251-F279 HydrophobicContact CB-CD1 4.45Å; V251-F279 HydrophobicContact CB-CE1 4.41Å; V251-F279 HydrophobicContact CG1-CD1 4.28Å; V251-F279 HydrophobicContact CG1-CE1 3.76Å; V251-F279 HydrophobicContact CG1-CZ 4.21Å; V251-F279 HydrophobicContact CG2-CD1 4.08Å; V251-F279 HydrophobicContact CG2-CE1 4.29Å; F272-F279 HydrophobicContact CD2-CE2 4.08Å; F272-F279 HydrophobicContact CE2-CD2 4.35Å; F272-F279 AromaticContact CE2-CE2 3.76Å; F272-F279 HydrophobicContact CE2-CE2 3.76Å; I275-F279 HydrophobicContact CB-CZ 4.34Å; I275-F279 HydrophobicContact CD1-CE1 4.35Å; I275-F279 HydrophobicContact CD1-CE2 4.19Å; I275-F279 HydrophobicContact CD1-CZ 3.49Å; I275-F279 VanDerWaalsContact CD1-CZ 3.49Å; I275-F279 HydrophobicContact CG1-CE1 4.36Å; I275-F279 HydrophobicContact CG1-CE2 3.76Å; I275-F279 HydrophobicContact CG1-CZ 3.46Å; I275-F279 VanDerWaalsContact CG1-CZ 3.46Å; R276-F279 WeakPolarHBondContact O-CB 3.27Å; R276-F279 PolarHBondContact O-N 2.93Å; P277-F279 VanDerWaalsContact C-N 3.3Å; P277-F279 PolarHBondContact O-N 3.48Å; F279-N281 PolarHBondContact O-N 3.07Å; F279-K282 WeakPolarHBondContact O-CB 3.43Å; F279-K282 PolarHBondContact O-N 3.47Å; F279-L284 HydrophobicContact CD2-CD1 4.21Å; F279-L284 HydrophobicContact CD2-CD2 4.22Å; F279-L284 HydrophobicContact CE2-CD1 4.15Å; F279-L284 HydrophobicContact CE2-CD2 4.48Å; F279-L284 HydrophobicContact CZ-CD1 4.39Å
280I84.9Confident91Very high119 Ų11940 Ų4061%0.6121%0.208SC*.THydrogen-bonded Turntrans-56.9127.8179.6-60.4167.9000109.6P277 K282P277-I280 VanDerWaalsContact O-CD1 3.31Å; P277-I280 WeakPolarHBondContact O-CD1 3.25Å; P277-I280 WeakPolarHBondContact O-CG1 3.16Å; I280-K282 VanDerWaalsContact C-N 3.33Å; I280-K282 PolarHBondContact O-N 3.34Å
281N87.1Confident91Very high129 Ų12939.3 Ų39.369%0.6920%0.2SC*.THydrogen-bonded Turntrans6623-175.6-52.2-45.6000115.8F279 H342F279-N281 PolarHBondContact O-N 3.07Å; N281-H342 PolarHBondContact O-CE1 2.81Å
282K92.3Very high91Very high34 Ų3442.8 Ų42.815%0.14822%0.216CC..  trans-121.8127.9177.5-55.8-174.4-167.8-163.60110.2L244 A245 L247 V251 F279 I280 L284L244-K282 PolarHBondContact O-NZ 3Å; A245-K282 PolarHBondContact O-NZ 3.19Å; A245-K282 VanDerWaalsContact O-NZ 3.08Å; L247-K282 WeakPolarHBondContact O-CE 3.19Å; L247-K282 PolarHBondContact O-NZ 3.45Å; V251-K282 HydrophobicContact CG2-CB 4.31Å; V251-K282 HydrophobicContact CG2-CD 4.19Å; F279-K282 WeakPolarHBondContact O-CB 3.43Å; F279-K282 PolarHBondContact O-N 3.47Å; I280-K282 VanDerWaalsContact C-N 3.33Å; I280-K282 PolarHBondContact O-N 3.34Å; K282-L284 PolarHBondContact O-N 3.15Å
283P93.7Very high91Very high23 Ų2346.2 Ų46.215%0.14924%0.237CC..  trans-65.5132.4171.525.8-29.3000108.9A250 V251 R338 L339A250-P283 CarbonylContact C-O 3.54Å; A250-P283 VanDerWaalsContact CA-O 3.31Å; A250-P283 WeakPolarHBondContact CA-O 3.39Å; A250-P283 HydrophobicContact CB-CG 3.82Å; V251-P283 PolarHBondContact N-O 3.31Å; P283-R338 HydrophobicContact CB-CB 4.06Å; P283-L339 HydrophobicContact CG-CB 4.27Å; P283-L339 HydrophobicContact CG-CD1 3.71Å
284L94.7Very high90.9Very high4 Ų445 Ų452%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-118140.5-176.6-179.476000109.6V251 F272 F279 K282 F315V251-L284 HydrophobicContact CB-CD1 3.79Å; V251-L284 HydrophobicContact CG1-CD1 3.79Å; V251-L284 WeakPolarHBondContact O-CA 3.36Å; F272-L284 HydrophobicContact CE2-CD1 4.35Å; F272-L284 HydrophobicContact CE2-CD2 3.35Å; F272-L284 HydrophobicContact CE2-CG 4.4Å; F272-L284 HydrophobicContact CZ-CD2 3.38Å; F279-L284 HydrophobicContact CD2-CD1 4.21Å; F279-L284 HydrophobicContact CD2-CD2 4.22Å; F279-L284 HydrophobicContact CE2-CD1 4.15Å; F279-L284 HydrophobicContact CE2-CD2 4.48Å; F279-L284 HydrophobicContact CZ-CD1 4.39Å; K282-L284 PolarHBondContact O-N 3.15Å; L284-F315 HydrophobicContact CB-CD1 3.83Å; L284-F315 HydrophobicContact CB-CE1 3.95Å; L284-F315 HydrophobicContact CD2-CD1 3.64Å; L284-F315 HydrophobicContact CD2-CD2 4.05Å; L284-F315 HydrophobicContact CD2-CE1 3.7Å; L284-F315 HydrophobicContact CD2-CE2 4.08Å; L284-F315 HydrophobicContact CD2-CG 3.83Å; L284-F315 HydrophobicContact CD2-CZ 3.91Å; L284-F315 HydrophobicContact CG-CD1 4.11Å; L284-F315 HydrophobicContact CG-CE1 4.39Å
285I95Very high90.9Very high2 Ų246.1 Ų46.11%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-132.6133.9170.8-61.3-178.7000107.6V251 L252 Y253 V287 P316 I318 E334 A335V251-I285 PolarHBondContact O-N 3.01Å; L252-I285 HydrophobicContact CD2-CB 3.78Å; L252-I285 HydrophobicContact CD2-CD1 4.32Å; L252-I285 HydrophobicContact CD2-CG1 4.44Å; L252-I285 HydrophobicContact CD2-CG2 4.19Å; Y253-I285 PolarHBondContact N-O 3.45Å; I285-V287 HydrophobicContact CG2-CG2 4.09Å; I285-P316 HydrophobicContact CB-CG 4.33Å; I285-P316 HydrophobicContact CD1-CG 4.48Å; I285-P316 HydrophobicContact CG1-CG 3.87Å; I285-P316 HydrophobicContact CG2-CG 4.17Å; I285-I318 HydrophobicContact CG2-CD1 4.23Å; I285-E334 HydrophobicContact CD1-CB 3.93Å; I285-A335 HydrophobicContact CD1-CB 3.73Å; I285-A335 VanDerWaalsContact CD1-N 3.32Å
286V95Very high90.8Very high0 Ų047.6 Ų47.60%023%0.234CC..EExtended strand (participates in β ladder)trans-93.8124.2173.9-179.90000107.7Y253 M255 L310 F315 P316 V317 I318Y253-V286 WeakPolarHBondContact O-CA 3.39Å; M255-V286 HydrophobicContact CG-CG1 4.23Å; M255-V286 HydrophobicContact SD-CG1 3.7Å; V286-L310 HydrophobicContact CG1-CD1 4.43Å; V286-L310 HydrophobicContact CG2-CD1 4.46Å; V286-F315 HydrophobicContact CG2-CB 4.21Å; V286-P316 PolarHBondContact N-O 3.11Å; V286-V317 HydrophobicContact CB-CG2 4.23Å; V286-V317 HydrophobicContact CG1-CG2 4.46Å; V286-V317 WeakPolarHBondContact O-CA 3.38Å; V286-I318 PolarHBondContact O-N 3.33Å; V286-I318 VanDerWaalsContact O-N 3.11Å
287V95.4Very high90.9Very high1 Ų146.5 Ų46.51%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-111.6112.9-174.7178.20000107.4L252 Y253 V254 M255 I285 S289 T320 V331L252-V287 HydrophobicContact CB-CG2 4.29Å; L252-V287 HydrophobicContact CD2-CG2 4.09Å; Y253-V287 PolarHBondContact O-N 3.47Å; V254-V287 WeakPolarHBondContact CA-O 3.47Å; V254-V287 HydrophobicContact CG2-CB 4.35Å; M255-V287 PolarHBondContact N-O 2.98Å; I285-V287 HydrophobicContact CG2-CG2 4.09Å; V287-S289 PolarHBondContact O-N 3.17Å; V287-T320 HydrophobicContact CG1-CG2 3.69Å; V287-T320 WeakPolarHBondContact CG1-OG1 3.44Å; V287-V331 HydrophobicContact CG1-CG2 4.35Å; V287-V331 HydrophobicContact CG2-CG1 3.68Å; V287-V331 HydrophobicContact CG2-CG2 4.11Å
288A94.3Very high90.8Very high0 Ų048.6 Ų48.60%025%0.25CS..EExtended strand (participates in β ladder)trans-87.799.1177.900000108.9L257 I296 V317 I318 E319 T320L257-A288 HydrophobicContact CD1-CB 3.95Å; L257-A288 HydrophobicContact CD2-CB 3.86Å; L257-A288 HydrophobicContact CG-CB 3.93Å; A288-I296 HydrophobicContact CB-CD1 4.13Å; A288-V317 HydrophobicContact CB-CG1 4.33Å; A288-I318 PolarHBondContact N-O 3.08Å; A288-E319 CarbonylContact O-C 3.55Å; A288-T320 PolarHBondContact O-N 3.24Å; A288-T320 PolarHBondContact O-OG1 2.89Å
289S94.3Very high90.7Very high2 Ų246.8 Ų46.81%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-81.7160-177.7-173.30000111.9V179 M255 L257 V287 C291 T320V179-S289 VanDerWaalsContact O-CB 3.29Å; V179-S289 WeakPolarHBondContact O-CB 3.28Å; V179-S289 PolarHBondContact O-OG 3.01Å; M255-S289 WeakPolarHBondContact O-CB 3.15Å; M255-S289 PolarHBondContact O-N 3.42Å; L257-S289 PolarHBondContact N-O 3.08Å; V287-S289 PolarHBondContact O-N 3.17Å; S289-C291 VanDerWaalsContact C-N 3.32Å; S289-C291 PolarHBondContact O-N 3.22Å; S289-T320 CarbonylContact C-O 3.42Å; S289-T320 VanDerWaalsContact CA-O 3.32Å; S289-T320 WeakPolarHBondContact CA-O 3.22Å
290K92.3Very high90.8Very high30 Ų3048.6 Ų48.613%0.1326%0.256CS..  trans61.133.8177.2-52.1-171.9-165.4161.30114.2N178 D256 E292 V293 T320N178-K290 PolarHBondContact O-NZ 3.18Å; N178-K290 VanDerWaalsContact O-NZ 3.07Å; D256-K290 WeakPolarHBondContact OD1-CD 3.31Å; D256-K290 IonicContact OD1-NZ 3.71Å; D256-K290 WeakPolarHBondContact OD2-CE 3.45Å; D256-K290 IonicContact OD2-NZ 2.72Å; D256-K290 PolarHBondContact OD2-NZ 3.04Å; K290-E292 WeakPolarHBondContact CA-OE2 3.37Å; K290-E292 PolarHBondContact O-N 3.42Å; K290-E292 VanDerWaalsContact O-N 3.09Å; K290-V293 PolarHBondContact O-N 2.9Å; K290-T320 PolarHBondContact N-O 2.89Å
291C91.5Very high91Very high4 Ų451.1 Ų51.13%0.02727%0.265CS..THydrogen-bonded Turntrans-64.5-11.9179.764.70000113.9L257 S289 V293 K294 E319L257-C291 HydrophobicContact CD1-CB 4.3Å; S289-C291 VanDerWaalsContact C-N 3.32Å; S289-C291 PolarHBondContact O-N 3.22Å; C291-V293 PolarHBondContact O-N 3.04Å; C291-K294 WeakPolarHBondContact CA-O 3.5Å; C291-K294 CarbonylContact O-C 3.52Å; C291-E319 HydrophobicContact CB-CB 4.04Å; C291-E319 HydrophobicContact CB-CG 4.44Å
292E90.4Very high91Very high73 Ų7351 Ų5134%0.34126%0.26SS..THydrogen-bonded Turntrans-65.7-22170.568.5-83-167.500113.7K290 S321 L323 T324K290-E292 WeakPolarHBondContact CA-OE2 3.37Å; K290-E292 PolarHBondContact O-N 3.42Å; K290-E292 VanDerWaalsContact O-N 3.09Å; E292-S321 WeakPolarHBondContact OE2-CB 3.43Å; E292-S321 PolarHBondContact OE2-OG 3.01Å; E292-L323 HydrophobicContact CG-CB 4.24Å; E292-L323 HydrophobicContact CG-CD2 4.01Å; E292-T324 HydrophobicContact CB-CG2 4.28Å
293V90.1Very high90.8Very high73 Ų7350.5 Ų50.544%0.44226%0.259SS..THydrogen-bonded Turntrans-93.3-43.9-179.7-177.20000111.5K290 C291K290-V293 PolarHBondContact O-N 2.9Å; C291-V293 PolarHBondContact O-N 3.04Å
294K88.2Confident90.6Very high84 Ų8452.3 Ų52.337%0.36527%0.265SS..  trans-143.7131176.7-74.6-176.1179.11760109L257 C291 L299L257-K294 WeakPolarHBondContact CD1-O 3.05Å; C291-K294 WeakPolarHBondContact CA-O 3.5Å; C291-K294 CarbonylContact O-C 3.52Å; K294-L299 HydrophobicContact CD-CD2 4.47Å
295R88.6Confident90.4Very high123 Ų12358.2 Ų58.246%0.46429%0.291SS..  trans-87.9157.2172.1-67.9-171.8170.1-159.5-10.1111.2A297 E298 E326R295-A297 PolarHBondContact O-N 3.04Å; R295-E298 HydrophobicContact CB-CG 4.34Å; R295-E298 PolarHBondContact N-OE2 3.05Å; R295-E298 VanDerWaalsContact N-OE2 3.14Å; R295-E298 PolarHBondContact O-N 3.35Å; R295-E326 IonicContact NH2-OE2 3.45Å
296I87.8Confident90.1Very high33 Ų3359.1 Ų59.117%0.16930%0.295CS..G310 helixtrans-58.6-35.7178.1-66.1173.1000110.7L257 A288 E298 L299 Q304 F307 V317 E319L257-I296 HydrophobicContact CD1-CG1 3.76Å; L257-I296 HydrophobicContact CD2-CG1 4.33Å; A288-I296 HydrophobicContact CB-CD1 4.13Å; I296-E298 PolarHBondContact O-N 3.28Å; I296-L299 HydrophobicContact CB-CD1 4.49Å; I296-L299 HydrophobicContact CG2-CD1 4.48Å; I296-L299 WeakPolarHBondContact O-CB 3.22Å; I296-L299 PolarHBondContact O-N 3.13Å; I296-Q304 WeakPolarHBondContact O-CG 3.41Å; I296-Q304 PolarHBondContact O-NE2 3.1Å; I296-F307 HydrophobicContact CG2-CD2 4.39Å; I296-V317 HydrophobicContact CD1-CG1 3.89Å; I296-E319 WeakPolarHBondContact CB-OE1 3.42Å; I296-E319 HydrophobicContact CD1-CG 3.47Å; I296-E319 VanDerWaalsContact CD1-CG 3.47Å; I296-E319 HydrophobicContact CG1-CG 3.87Å; I296-E319 WeakPolarHBondContact CG1-OE1 3.38Å; I296-E319 PolarHBondContact N-OE1 2.87Å
297A89Confident89.8Confident84 Ų8459.5 Ų59.569%0.69430%0.297SS*.G310 helixtrans-64.3-20.5177.500000114.4R295 Q304R295-A297 PolarHBondContact O-N 3.04Å; A297-Q304 PolarHBondContact O-NE2 2.77Å; A297-Q304 VanDerWaalsContact O-NE2 3.12Å
298E88.8Confident89.6Confident133 Ų13364.4 Ų64.462%0.62132%0.323SS*.G310 helixtrans-95-5.7-179.1-62.1168.6174.500112.5R295 I296R295-E298 HydrophobicContact CB-CG 4.34Å; R295-E298 PolarHBondContact N-OE2 3.05Å; R295-E298 VanDerWaalsContact N-OE2 3.14Å; R295-E298 PolarHBondContact O-N 3.35Å; I296-E298 PolarHBondContact O-N 3.28Å
299L85.2Confident89.5Confident15 Ų1568.8 Ų68.88%0.07935%0.346CS..SBendtrans-72.9160.2177.2-65.2173.3000111.6L257 L265 K294 I296 D303 Q304 F307L257-L299 HydrophobicContact CD2-CD1 4.11Å; L265-L299 HydrophobicContact CD1-CD1 4.4Å; L265-L299 HydrophobicContact CD1-CD2 4.2Å; K294-L299 HydrophobicContact CD-CD2 4.47Å; I296-L299 HydrophobicContact CB-CD1 4.49Å; I296-L299 HydrophobicContact CG2-CD1 4.48Å; I296-L299 WeakPolarHBondContact O-CB 3.22Å; I296-L299 PolarHBondContact O-N 3.13Å; L299-D303 HydrophobicContact CB-CB 4.04Å; L299-D303 HydrophobicContact CD1-CB 4.42Å; L299-Q304 HydrophobicContact CB-CG 4.1Å; L299-Q304 PolarHBondContact O-NE2 3.24Å; L299-Q304 VanDerWaalsContact O-NE2 3.08Å; L299-F307 HydrophobicContact CD1-CD2 4.17Å; L299-F307 HydrophobicContact CD1-CE2 3.61Å
300S87.9Confident89.2Confident55 Ų5569 Ų6939%0.38535%0.347SS..  trans-59.6153.1173.975.30000111.3E302 D303 Q304S300-E302 PolarHBondContact O-N 2.96Å; S300-D303 PolarHBondContact O-N 2.89Å; S300-D303 PolarHBondContact OG-N 3.43Å; S300-D303 PolarHBondContact OG-OD2 3.3Å; S300-Q304 WeakPolarHBondContact O-CG 3.46Å; S300-Q304 PolarHBondContact O-N 3.23Å
301E89Confident89.2Confident172 Ų17273.1 Ų73.180%0.80437%0.367SS*.Hα-helixtrans-58.1-32.1176.6-66.2-176.617800112.1K305E301-K305 WeakPolarHBondContact O-CB 3.3Å; E301-K305 PolarHBondContact O-N 3.08Å; E301-K305 VanDerWaalsContact O-N 3.07Å
302E88.3Confident89.2Confident125 Ų12577.1 Ų77.158%0.58440%0.4SS*.Hα-helixtrans-61.6-45.5173.3-67.8-172.3-168.800111.9K266 S300 K305 I306K266-E302 IonicContact NZ-OE2 3.72Å; K266-E302 PolarHBondContact NZ-OE2 2.95Å; S300-E302 PolarHBondContact O-N 2.96Å; E302-K305 WeakPolarHBondContact O-CB 3.5Å; E302-K305 PolarHBondContact O-N 3.45Å; E302-I306 PolarHBondContact O-N 2.84Å
303D88.3Confident89Confident24 Ų2477.9 Ų77.913%0.12840%0.404CS..Hα-helixtrans-75.3-37.1-177.6-63.1-41.4000111.9L265 L299 S300 K305 I306 F307L265-D303 HydrophobicContact CD1-CB 3.88Å; L299-D303 HydrophobicContact CB-CB 4.04Å; L299-D303 HydrophobicContact CD1-CB 4.42Å; S300-D303 PolarHBondContact O-N 2.89Å; S300-D303 PolarHBondContact OG-N 3.43Å; S300-D303 PolarHBondContact OG-OD2 3.3Å; D303-K305 PolarHBondContact O-N 3.26Å; D303-I306 WeakPolarHBondContact O-CB 3.44Å; D303-I306 PolarHBondContact O-N 3.27Å; D303-I306 VanDerWaalsContact O-N 3.13Å; D303-F307 VanDerWaalsContact O-CD2 3.23Å; D303-F307 WeakPolarHBondContact O-CD2 3.49Å; D303-F307 PolarHBondContact O-N 3.35Å
304Q88.8Confident88.9Confident61 Ų6176.5 Ų76.529%0.28541%0.405SS..Hα-helixtrans-59.9-38.3172.2-70.1-175.112.500111I296 A297 L299 S300 I306 F307 L308I296-Q304 WeakPolarHBondContact O-CG 3.41Å; I296-Q304 PolarHBondContact O-NE2 3.1Å; A297-Q304 PolarHBondContact O-NE2 2.77Å; A297-Q304 VanDerWaalsContact O-NE2 3.12Å; L299-Q304 HydrophobicContact CB-CG 4.1Å; L299-Q304 PolarHBondContact O-NE2 3.24Å; L299-Q304 VanDerWaalsContact O-NE2 3.08Å; S300-Q304 WeakPolarHBondContact O-CG 3.46Å; S300-Q304 PolarHBondContact O-N 3.23Å; Q304-I306 VanDerWaalsContact C-N 3.29Å; Q304-I306 PolarHBondContact O-N 2.99Å; Q304-F307 PolarHBondContact O-N 3.47Å; Q304-L308 WeakPolarHBondContact O-CG 3.33Å; Q304-L308 PolarHBondContact O-N 3.02Å
305K90.7Very high89Confident128 Ų12874.5 Ų74.556%0.55740%0.396SS*.Hα-helixtrans-60.8-37175.5-166.8177.7-179.7-179.90112.3E301 E302 D303 F307 L308 D309E301-K305 WeakPolarHBondContact O-CB 3.3Å; E301-K305 PolarHBondContact O-N 3.08Å; E301-K305 VanDerWaalsContact O-N 3.07Å; E302-K305 WeakPolarHBondContact O-CB 3.5Å; E302-K305 PolarHBondContact O-N 3.45Å; D303-K305 PolarHBondContact O-N 3.26Å; K305-F307 VanDerWaalsContact C-N 3.32Å; K305-F307 PolarHBondContact O-N 3.15Å; K305-L308 PolarHBondContact O-N 2.67Å; K305-D309 WeakPolarHBondContact O-CB 3.49Å; K305-D309 PolarHBondContact O-N 3.46Å
306I88.6Confident89.2Confident21 Ų2169.8 Ų69.811%0.10838%0.381CS..Hα-helixtrans-58.3-44.8174.9-61.6170.8000111K266 L269 E302 D303 Q304 D309 L310K266-I306 HydrophobicContact CG-CD1 4.48Å; L269-I306 HydrophobicContact CB-CG2 4.43Å; L269-I306 HydrophobicContact CD1-CG2 3.88Å; L269-I306 HydrophobicContact CD2-CG1 4.37Å; L269-I306 HydrophobicContact CD2-CG2 3.74Å; L269-I306 HydrophobicContact CG-CG2 4.22Å; E302-I306 PolarHBondContact O-N 2.84Å; D303-I306 WeakPolarHBondContact O-CB 3.44Å; D303-I306 PolarHBondContact O-N 3.27Å; D303-I306 VanDerWaalsContact O-N 3.13Å; Q304-I306 VanDerWaalsContact C-N 3.29Å; Q304-I306 PolarHBondContact O-N 2.99Å; I306-D309 PolarHBondContact O-N 3.29Å; I306-L310 HydrophobicContact CG2-CD1 4.31Å; I306-L310 WeakPolarHBondContact O-CG 3.48Å; I306-L310 PolarHBondContact O-N 2.8Å; I306-L310 VanDerWaalsContact O-N 3.08Å
307F89.6Confident89.5Confident8 Ų869.5 Ų69.54%0.03538%0.381CS..Hα-helixtrans-71.6-36.3179.2-66.9-69.5000112.8M255 L257 L265 I296 L299 D303 Q304 K305 D309 L310 Q311 V317M255-F307 HydrophobicContact CE-CE1 4.29Å; M255-F307 HydrophobicContact CE-CZ 4.38Å; M255-F307 HydrophobicContact SD-CE1 4.08Å; L257-F307 HydrophobicContact CD2-CE1 4.29Å; L257-F307 HydrophobicContact CD2-CE2 3.89Å; L257-F307 HydrophobicContact CD2-CZ 3.44Å; L257-F307 VanDerWaalsContact CD2-CZ 3.44Å; L265-F307 HydrophobicContact CD2-CZ 4.35Å; I296-F307 HydrophobicContact CG2-CD2 4.39Å; L299-F307 HydrophobicContact CD1-CD2 4.17Å; L299-F307 HydrophobicContact CD1-CE2 3.61Å; D303-F307 VanDerWaalsContact O-CD2 3.23Å; D303-F307 WeakPolarHBondContact O-CD2 3.49Å; D303-F307 PolarHBondContact O-N 3.35Å; Q304-F307 PolarHBondContact O-N 3.47Å; K305-F307 VanDerWaalsContact C-N 3.32Å; K305-F307 PolarHBondContact O-N 3.15Å; F307-D309 VanDerWaalsContact C-N 3.35Å; F307-L310 HydrophobicContact CD1-CD1 4.45Å; F307-L310 PolarHBondContact O-N 3.35Å; F307-Q311 WeakPolarHBondContact O-CB 3.48Å; F307-Q311 PolarHBondContact O-N 2.84Å; F307-V317 HydrophobicContact CB-CG2 4.4Å; F307-V317 HydrophobicContact CD1-CG1 3.64Å; F307-V317 HydrophobicContact CD1-CG2 4.1Å; F307-V317 HydrophobicContact CE1-CG1 4.23Å; F307-V317 HydrophobicContact CG-CG1 4.36Å
308L90.4Very high89.8Confident105 Ų10566.2 Ų66.255%0.5535%0.351SS..Hα-helixtrans-63.2-41.3173.5-70.5173.1000111.5Q304 K305 Q311 A312Q304-L308 WeakPolarHBondContact O-CG 3.33Å; Q304-L308 PolarHBondContact O-N 3.02Å; K305-L308 PolarHBondContact O-N 2.67Å; L308-Q311 PolarHBondContact O-N 3.28Å; L308-A312 WeakPolarHBondContact O-CB 3.34Å; L308-A312 PolarHBondContact O-N 2.6Å
309D91.7Very high90Very high92 Ų9262.6 Ų62.649%0.49234%0.335SS..Hα-helixtrans-64.4-44.1176.7-70.2-17.1000110.9K305 I306 F307 Q311 A312 E313K305-D309 WeakPolarHBondContact O-CB 3.49Å; K305-D309 PolarHBondContact O-N 3.46Å; I306-D309 PolarHBondContact O-N 3.29Å; F307-D309 VanDerWaalsContact C-N 3.35Å; D309-Q311 VanDerWaalsContact C-N 3.31Å; D309-Q311 PolarHBondContact O-N 3.02Å; D309-A312 WeakPolarHBondContact O-CB 3.48Å; D309-A312 PolarHBondContact O-N 2.89Å; D309-E313 WeakPolarHBondContact O-CG 3.42Å; D309-E313 PolarHBondContact O-N 3.08Å; D309-E313 VanDerWaalsContact O-N 3.08Å
310L89.2Confident90.5Very high6 Ų662 Ų623%0.03133%0.331CS..Hα-helixtrans-61.6-38.2174.3-71.9170.9000112.4M255 L269 F272 V286 I306 F307 E313 F315 V317M255-L310 HydrophobicContact SD-CD1 4.36Å; L269-L310 HydrophobicContact CD1-CD1 4.28Å; L269-L310 HydrophobicContact CD1-CD2 4.17Å; L269-L310 HydrophobicContact CD1-CG 4.4Å; F272-L310 HydrophobicContact CD1-CD2 3.86Å; F272-L310 HydrophobicContact CE1-CD2 3.43Å; F272-L310 VanDerWaalsContact CE1-CD2 3.43Å; F272-L310 HydrophobicContact CZ-CD2 4.13Å; V286-L310 HydrophobicContact CG1-CD1 4.43Å; V286-L310 HydrophobicContact CG2-CD1 4.46Å; I306-L310 HydrophobicContact CG2-CD1 4.31Å; I306-L310 WeakPolarHBondContact O-CG 3.48Å; I306-L310 PolarHBondContact O-N 2.8Å; I306-L310 VanDerWaalsContact O-N 3.08Å; F307-L310 HydrophobicContact CD1-CD1 4.45Å; F307-L310 PolarHBondContact O-N 3.35Å; L310-E313 PolarHBondContact O-N 3.22Å; L310-F315 WeakPolarHBondContact O-CB 3.46Å; L310-F315 PolarHBondContact O-N 2.75Å; L310-V317 HydrophobicContact CB-CG2 4.42Å
311Q90.9Very high90.8Very high116 Ų11659.4 Ų59.454%0.54231%0.313SS..Hα-helixtrans-70.1-36.7176.7-168.4173.5-1.100112.1F307 L308 D309 E313 G314 F315F307-Q311 WeakPolarHBondContact O-CB 3.48Å; F307-Q311 PolarHBondContact O-N 2.84Å; L308-Q311 PolarHBondContact O-N 3.28Å; D309-Q311 VanDerWaalsContact C-N 3.31Å; D309-Q311 PolarHBondContact O-N 3.02Å; Q311-E313 VanDerWaalsContact C-N 3.29Å; Q311-E313 PolarHBondContact O-N 3.49Å; Q311-G314 WeakPolarHBondContact O-CA 3.47Å; Q311-G314 PolarHBondContact O-N 3.39Å; Q311-F315 WeakPolarHBondContact CA-O 3.46Å
312A91.3Very high90.9Very high88 Ų8852.4 Ų52.473%0.72728%0.282SS*.Hα-helixtrans-64.6-32174.600000112.4L308 D309 G314L308-A312 WeakPolarHBondContact O-CB 3.34Å; L308-A312 PolarHBondContact O-N 2.6Å; D309-A312 WeakPolarHBondContact O-CB 3.48Å; D309-A312 PolarHBondContact O-N 2.89Å; A312-G314 PolarHBondContact O-N 2.92Å
313E87.2Confident91.1Very high90 Ų9052.7 Ų52.742%0.42129%0.287SS..THydrogen-bonded Turntrans-70.2-7.9171.2-66.1-166.214700113.6R276 D309 L310 Q311 F315R276-E313 IonicContact CZ-OE1 3.68Å; R276-E313 VanDerWaalsContact CZ-OE1 3.26Å; R276-E313 IonicContact CZ-OE2 3.89Å; R276-E313 VanDerWaalsContact CZ-OE2 3.32Å; R276-E313 IonicContact NH1-OE1 3.31Å; R276-E313 PolarHBondContact NH1-OE1 3.35Å; R276-E313 IonicContact NH1-OE2 2.86Å; R276-E313 PolarHBondContact NH1-OE2 3.4Å; R276-E313 IonicContact NH2-OE1 2.99Å; R276-E313 PolarHBondContact NH2-OE1 3.49Å; R276-E313 IonicContact NH2-OE2 3.37Å; R276-E313 PolarHBondContact NH2-OE2 3.24Å; R276-E313 VanDerWaalsContact NH2-OE2 3.1Å; D309-E313 WeakPolarHBondContact O-CG 3.42Å; D309-E313 PolarHBondContact O-N 3.08Å; D309-E313 VanDerWaalsContact O-N 3.08Å; L310-E313 PolarHBondContact O-N 3.22Å; Q311-E313 VanDerWaalsContact C-N 3.29Å; Q311-E313 PolarHBondContact O-N 3.49Å; E313-F315 HydrophobicContact CB-CD2 3.89Å; E313-F315 HydrophobicContact CB-CE2 3.82Å; E313-F315 VanDerWaalsContact OE2-CE2 3.3Å; E313-F315 WeakPolarHBondContact OE2-CE2 3.42Å
314G87.7Confident91.2Very high44 Ų4455.3 Ų55.345%0.45430%0.304SS..THydrogen-bonded Turntrans97.58.917800000114.9Q311 A312 R338Q311-G314 WeakPolarHBondContact O-CA 3.47Å; Q311-G314 PolarHBondContact O-N 3.39Å; A312-G314 PolarHBondContact O-N 2.92Å; G314-R338 PolarHBondContact O-NH1 3.1Å
315F90.4Very high91.3Very high42 Ų4257.9 Ų57.918%0.18432%0.316CS..  trans-93.4115176.6-50.5-52000110.5F272 L284 V286 L310 Q311 E313 V317F272-F315 HydrophobicContact CZ-CD2 4.22Å; F272-F315 HydrophobicContact CZ-CE2 4.13Å; L284-F315 HydrophobicContact CB-CD1 3.83Å; L284-F315 HydrophobicContact CB-CE1 3.95Å; L284-F315 HydrophobicContact CD2-CD1 3.64Å; L284-F315 HydrophobicContact CD2-CD2 4.05Å; L284-F315 HydrophobicContact CD2-CE1 3.7Å; L284-F315 HydrophobicContact CD2-CE2 4.08Å; L284-F315 HydrophobicContact CD2-CG 3.83Å; L284-F315 HydrophobicContact CD2-CZ 3.91Å; L284-F315 HydrophobicContact CG-CD1 4.11Å; L284-F315 HydrophobicContact CG-CE1 4.39Å; V286-F315 HydrophobicContact CG2-CB 4.21Å; L310-F315 WeakPolarHBondContact O-CB 3.46Å; L310-F315 PolarHBondContact O-N 2.75Å; Q311-F315 WeakPolarHBondContact CA-O 3.46Å; E313-F315 HydrophobicContact CB-CD2 3.89Å; E313-F315 HydrophobicContact CB-CE2 3.82Å; E313-F315 VanDerWaalsContact OE2-CE2 3.3Å; E313-F315 WeakPolarHBondContact OE2-CE2 3.42Å; F315-V317 PolarHBondContact O-N 3.04Å
316P93.3Very high91.4Very high23 Ų2356.3 Ų56.315%0.14931%0.311CS..  trans-69.8132.9179.429.8-35.1000108.4I285 V286 R338I285-P316 HydrophobicContact CB-CG 4.33Å; I285-P316 HydrophobicContact CD1-CG 4.48Å; I285-P316 HydrophobicContact CG1-CG 3.87Å; I285-P316 HydrophobicContact CG2-CG 4.17Å; V286-P316 PolarHBondContact N-O 3.11Å; P316-R338 VanDerWaalsContact CG-CZ 3.41Å
317V94.2Very high91.6Very high28 Ų2856 Ų5617%0.1731%0.312CS..EExtended strand (participates in β ladder)trans-99.4121.3172.1-176.30000107V286 A288 I296 F307 L310 F315V286-V317 HydrophobicContact CB-CG2 4.23Å; V286-V317 HydrophobicContact CG1-CG2 4.46Å; V286-V317 WeakPolarHBondContact O-CA 3.38Å; A288-V317 HydrophobicContact CB-CG1 4.33Å; I296-V317 HydrophobicContact CD1-CG1 3.89Å; F307-V317 HydrophobicContact CB-CG2 4.4Å; F307-V317 HydrophobicContact CD1-CG1 3.64Å; F307-V317 HydrophobicContact CD1-CG2 4.1Å; F307-V317 HydrophobicContact CE1-CG1 4.23Å; F307-V317 HydrophobicContact CG-CG1 4.36Å; L310-V317 HydrophobicContact CB-CG2 4.42Å; F315-V317 PolarHBondContact O-N 3.04Å
318I93.9Very high91.8Very high14 Ų1456 Ų567%0.07231%0.313CS..EExtended strand (participates in β ladder)trans-123.2124.8179.7-59.3168.3000108.5I285 V286 A288 T320 Q330 V331 E334I285-I318 HydrophobicContact CG2-CD1 4.23Å; V286-I318 PolarHBondContact O-N 3.33Å; V286-I318 VanDerWaalsContact O-N 3.11Å; A288-I318 PolarHBondContact N-O 3.08Å; I318-T320 HydrophobicContact CG2-CG2 4.27Å; I318-Q330 HydrophobicContact CG2-CG 4.49Å; I318-V331 HydrophobicContact CB-CG2 3.75Å; I318-V331 HydrophobicContact CD1-CG2 3.99Å; I318-V331 HydrophobicContact CG1-CG2 4.47Å; I318-V331 HydrophobicContact CG2-CG2 3.57Å; I318-E334 HydrophobicContact CD1-CB 4.19Å; I318-E334 HydrophobicContact CD1-CG 4.04Å
319E94.4Very high92Very high58 Ų5856.5 Ų56.527%0.27132%0.315SS..EExtended strand (participates in β ladder)trans-67.6131170.5-65.4-174.7155.400109.9A288 C291 I296 G327A288-E319 CarbonylContact O-C 3.55Å; C291-E319 HydrophobicContact CB-CB 4.04Å; C291-E319 HydrophobicContact CB-CG 4.44Å; I296-E319 WeakPolarHBondContact CB-OE1 3.42Å; I296-E319 HydrophobicContact CD1-CG 3.47Å; I296-E319 VanDerWaalsContact CD1-CG 3.47Å; I296-E319 HydrophobicContact CG1-CG 3.87Å; I296-E319 WeakPolarHBondContact CG1-OE1 3.38Å; I296-E319 PolarHBondContact N-OE1 2.87Å; E319-G327 WeakPolarHBondContact O-CA 3.48Å
320T94.4Very high92.2Very high2 Ų257.3 Ų57.31%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-137.8134.3178.956.50000111.1V287 A288 S289 K290 I318 E326 V331V287-T320 HydrophobicContact CG1-CG2 3.69Å; V287-T320 WeakPolarHBondContact CG1-OG1 3.44Å; A288-T320 PolarHBondContact O-N 3.24Å; A288-T320 PolarHBondContact O-OG1 2.89Å; S289-T320 CarbonylContact C-O 3.42Å; S289-T320 VanDerWaalsContact CA-O 3.32Å; S289-T320 WeakPolarHBondContact CA-O 3.22Å; K290-T320 PolarHBondContact N-O 2.89Å; I318-T320 HydrophobicContact CG2-CG2 4.27Å; T320-E326 WeakPolarHBondContact CA-O 3.44Å; T320-V331 HydrophobicContact CG2-CB 4.28Å; T320-V331 HydrophobicContact CG2-CG2 3.27Å
321S94.5Very high92.5Very high0 Ų057 Ų570%031%0.314CS..  trans-120127.5170.9179.50000109.5E292 L323 T324 E325 E326 V328E292-S321 WeakPolarHBondContact OE2-CB 3.43Å; E292-S321 PolarHBondContact OE2-OG 3.01Å; S321-L323 VanDerWaalsContact C-N 3.28Å; S321-L323 PolarHBondContact OG-N 2.7Å; S321-L323 VanDerWaalsContact OG-N 3.16Å; S321-T324 WeakPolarHBondContact CB-OG1 3.36Å; S321-T324 PolarHBondContact OG-N 3.39Å; S321-T324 PolarHBondContact OG-OG1 3.28Å; S321-E325 VanDerWaalsContact O-CA 3.23Å; S321-E325 WeakPolarHBondContact O-CA 3.36Å; S321-E325 PolarHBondContact O-N 2.95Å; S321-E325 VanDerWaalsContact O-N 3.11Å; S321-E326 PolarHBondContact N-O 3.21Å; S321-V328 WeakPolarHBondContact O-CG2 3.46Å
322T92.3Very high92.7Very high25 Ų2553.4 Ų53.415%0.15330%0.297CS..THydrogen-bonded Turntrans-81.9-12.8170.859.90000112.3F184 K187F184-T322 HydrophobicContact CB-CG2 4.33Å; K187-T322 VanDerWaalsContact CE-O 3.24Å; K187-T322 WeakPolarHBondContact CE-O 3.47Å
323L91.5Very high92.9Very high132 Ų13251 Ų5169%0.69127%0.273SS*.THydrogen-bonded Turntrans-84.7-50.4176.5-174.765.7000111.6E292 S321E292-L323 HydrophobicContact CG-CB 4.24Å; E292-L323 HydrophobicContact CG-CD2 4.01Å; S321-L323 VanDerWaalsContact C-N 3.28Å; S321-L323 PolarHBondContact OG-N 2.7Å; S321-L323 VanDerWaalsContact OG-N 3.16Å
324T91.4Very high93.3Very high78 Ų7850.5 Ų50.548%0.47927%0.271SS..THydrogen-bonded Turntrans-87.2-10.6179.167.70000113.3E292 S321 E326E292-T324 HydrophobicContact CB-CG2 4.28Å; S321-T324 WeakPolarHBondContact CB-OG1 3.36Å; S321-T324 PolarHBondContact OG-N 3.39Å; S321-T324 PolarHBondContact OG-OG1 3.28Å; T324-E326 PolarHBondContact O-N 3.04Å; T324-E326 VanDerWaalsContact OG1-CB 3.28Å; T324-E326 WeakPolarHBondContact OG1-CB 3.4Å; T324-E326 PolarHBondContact OG1-N 3.49Å
325E91.1Very high93.7Very high115 Ų11548.4 Ų48.454%0.53725%0.249SC..  trans64.111.2-173.6-52.3-174.1169.700114.2K187 S321K187-E325 IonicContact NZ-OE1 2.68Å; K187-E325 PolarHBondContact NZ-OE1 3.21Å; S321-E325 VanDerWaalsContact O-CA 3.23Å; S321-E325 WeakPolarHBondContact O-CA 3.36Å; S321-E325 PolarHBondContact O-N 2.95Å; S321-E325 VanDerWaalsContact O-N 3.11Å
326E92.3Very high93.9Very high96 Ų9646.4 Ų46.445%0.44924%0.241SC..THydrogen-bonded Turntrans-67.2136.6174.3-169171.8-174.300110.6R295 T320 S321 T324 V328R295-E326 IonicContact NH2-OE2 3.45Å; T320-E326 WeakPolarHBondContact CA-O 3.44Å; S321-E326 PolarHBondContact N-O 3.21Å; T324-E326 PolarHBondContact O-N 3.04Å; T324-E326 VanDerWaalsContact OG1-CB 3.28Å; T324-E326 WeakPolarHBondContact OG1-CB 3.4Å; T324-E326 PolarHBondContact OG1-N 3.49Å; E326-V328 PolarHBondContact O-N 3.23Å
327G92.9Very high94.1Very high13 Ų1347.8 Ų47.813%0.13425%0.247CC..THydrogen-bonded Turntrans74-18.4177.300000116.7E319 I329 Q330 V331E319-G327 WeakPolarHBondContact O-CA 3.48Å; G327-I329 PolarHBondContact O-N 3.34Å; G327-Q330 WeakPolarHBondContact O-CB 3.47Å; G327-Q330 PolarHBondContact O-N 3.33Å; G327-Q330 VanDerWaalsContact O-N 3.1Å; G327-V331 PolarHBondContact O-N 3.25Å
328V94.2Very high94.1Very high9 Ų950.8 Ų50.86%0.05526%0.255CS..Hα-helixtrans-58.4-45.5-175.5177.50000112.3F184 K187 V188 S321 E326 K332F184-V328 HydrophobicContact CD2-CG1 4.33Å; F184-V328 HydrophobicContact CE2-CB 4.47Å; F184-V328 HydrophobicContact CE2-CG1 3.97Å; K187-V328 HydrophobicContact CB-CG1 4.38Å; V188-V328 HydrophobicContact CG2-CG1 3.53Å; S321-V328 WeakPolarHBondContact O-CG2 3.46Å; E326-V328 PolarHBondContact O-N 3.23Å; V328-K332 PolarHBondContact O-N 2.98Å
329I94.2Very high94.1Very high115 Ų11550.3 Ų50.359%0.5925%0.252SS*.Hα-helixtrans-70.6-36.7178.8-62.2173.2000110.8G327 K332 T333G327-I329 PolarHBondContact O-N 3.34Å; I329-K332 WeakPolarHBondContact O-CB 3.41Å; I329-K332 PolarHBondContact O-N 3.1Å; I329-T333 HydrophobicContact CG2-CG2 4.36Å; I329-T333 WeakPolarHBondContact O-CG2 3.36Å; I329-T333 PolarHBondContact O-N 3.07Å; I329-T333 PolarHBondContact O-OG1 2.99Å
330Q95.4Very high94.2Very high109 Ų10949 Ų4951%0.50925%0.247SC..Hα-helixtrans-64.5-44.7179.3-174.1179.8-1.500111.5I318 G327 K332 T333 E334I318-Q330 HydrophobicContact CG2-CG 4.49Å; G327-Q330 WeakPolarHBondContact O-CB 3.47Å; G327-Q330 PolarHBondContact O-N 3.33Å; G327-Q330 VanDerWaalsContact O-N 3.1Å; Q330-K332 VanDerWaalsContact C-N 3.3Å; Q330-K332 PolarHBondContact O-N 3.43Å; Q330-T333 WeakPolarHBondContact CA-OG1 3.3Å; Q330-T333 PolarHBondContact O-N 2.96Å; Q330-T333 PolarHBondContact O-OG1 3.14Å; Q330-E334 WeakPolarHBondContact O-CB 3.26Å; Q330-E334 WeakPolarHBondContact O-CG 3.46Å; Q330-E334 PolarHBondContact O-N 3.04Å
331V95.6Very high94.2Very high0 Ų052 Ų520%027%0.272CS..Hα-helixtrans-59-44.2173.2171.20000110.8F184 L252 V287 I318 T320 G327 T333 A335F184-V331 HydrophobicContact CE2-CB 4.4Å; F184-V331 HydrophobicContact CE2-CG1 4.29Å; F184-V331 HydrophobicContact CZ-CB 4.22Å; F184-V331 HydrophobicContact CZ-CG1 3.8Å; L252-V331 HydrophobicContact CD1-CG1 4Å; L252-V331 HydrophobicContact CD2-CG1 3.73Å; V287-V331 HydrophobicContact CG1-CG2 4.35Å; V287-V331 HydrophobicContact CG2-CG1 3.68Å; V287-V331 HydrophobicContact CG2-CG2 4.11Å; I318-V331 HydrophobicContact CB-CG2 3.75Å; I318-V331 HydrophobicContact CD1-CG2 3.99Å; I318-V331 HydrophobicContact CG1-CG2 4.47Å; I318-V331 HydrophobicContact CG2-CG2 3.57Å; T320-V331 HydrophobicContact CG2-CB 4.28Å; T320-V331 HydrophobicContact CG2-CG2 3.27Å; G327-V331 PolarHBondContact O-N 3.25Å; V331-T333 PolarHBondContact O-N 3.28Å; V331-A335 WeakPolarHBondContact O-CB 3.5Å; V331-A335 PolarHBondContact O-N 3.01Å
332K94.5Very high94Very high41 Ų4155.1 Ų55.118%0.17829%0.286CS..Hα-helixtrans-58.9-47.8177.4-178.3-17171.7-175.90111.7V188 V210 V328 I329 Q330 C336V188-K332 HydrophobicContact CG1-CD 4.06Å; V188-K332 HydrophobicContact CG1-CG 4.44Å; V210-K332 HydrophobicContact CG2-CD 4.13Å; V328-K332 PolarHBondContact O-N 2.98Å; I329-K332 WeakPolarHBondContact O-CB 3.41Å; I329-K332 PolarHBondContact O-N 3.1Å; Q330-K332 VanDerWaalsContact C-N 3.3Å; Q330-K332 PolarHBondContact O-N 3.43Å; K332-C336 WeakPolarHBondContact O-CB 3.33Å; K332-C336 PolarHBondContact O-N 3.09Å; K332-C336 VanDerWaalsContact O-N 3.09Å; K332-C336 PolarHBondContact O-SG 3.31Å
333T95.9Very high94.1Very high38 Ų3856.7 Ų56.723%0.23329%0.289CS..Hα-helixtrans-64.3-47.4-178.449.70000111.7Y212 I329 Q330 V331 C336 D337Y212-T333 HydrophobicContact CE2-CG2 3.75Å; I329-T333 HydrophobicContact CG2-CG2 4.36Å; I329-T333 WeakPolarHBondContact O-CG2 3.36Å; I329-T333 PolarHBondContact O-N 3.07Å; I329-T333 PolarHBondContact O-OG1 2.99Å; Q330-T333 WeakPolarHBondContact CA-OG1 3.3Å; Q330-T333 PolarHBondContact O-N 2.96Å; Q330-T333 PolarHBondContact O-OG1 3.14Å; V331-T333 PolarHBondContact O-N 3.28Å; T333-C336 PolarHBondContact O-N 3.25Å; T333-D337 WeakPolarHBondContact O-CB 3.49Å; T333-D337 PolarHBondContact O-N 3.49Å
334E95.4Very high94.1Very high79 Ų7954.2 Ų54.237%0.36928%0.28SS..Hα-helixtrans-63.3-45.9179.8-74.3-65.4152.800111.9I285 I318 Q330 C336 D337 R338I285-E334 HydrophobicContact CD1-CB 3.93Å; I318-E334 HydrophobicContact CD1-CB 4.19Å; I318-E334 HydrophobicContact CD1-CG 4.04Å; Q330-E334 WeakPolarHBondContact O-CB 3.26Å; Q330-E334 WeakPolarHBondContact O-CG 3.46Å; Q330-E334 PolarHBondContact O-N 3.04Å; E334-C336 PolarHBondContact O-N 3.47Å; E334-D337 PolarHBondContact O-N 2.78Å; E334-R338 WeakPolarHBondContact O-CB 3.35Å; E334-R338 WeakPolarHBondContact O-CG 3.42Å; E334-R338 PolarHBondContact O-N 3.05Å
335A95.6Very high94.2Very high0 Ų055 Ų550%028%0.278CS..Hα-helixtrans-61.5-44.717900000111.9L171 L252 I285 V331 L339L171-A335 HydrophobicContact CD1-CB 4.4Å; L171-A335 HydrophobicContact CD2-CB 3.87Å; L252-A335 HydrophobicContact CD2-CB 3.86Å; I285-A335 HydrophobicContact CD1-CB 3.73Å; I285-A335 VanDerWaalsContact CD1-N 3.32Å; V331-A335 WeakPolarHBondContact O-CB 3.5Å; V331-A335 PolarHBondContact O-N 3.01Å; A335-L339 WeakPolarHBondContact O-CB 3.49Å; A335-L339 PolarHBondContact O-N 3.34Å; A335-L339 VanDerWaalsContact O-N 3.13Å
336C95.9Very high94.3Very high0 Ų053.2 Ų53.20%028%0.275CS..Hα-helixtrans-65.7-44.1178.3-750000111.8Y212 W217 K332 T333 E334 L339 L340Y212-C336 HydrophobicContact CD1-CB 3.25Å; Y212-C336 HydrophobicContact CE1-CB 3.33Å; Y212-C336 HydrophobicContact CG-CB 4.28Å; W217-C336 HydrophobicContact CD2-CB 4.49Å; W217-C336 VanDerWaalsContact CD2-SG 3.56Å; W217-C336 HydrophobicContact CE3-CB 4.41Å; W217-C336 VanDerWaalsContact CE3-SG 3.53Å; W217-C336 VanDerWaalsContact CH2-CA 3.45Å; W217-C336 HydrophobicContact CH2-CB 3.63Å; W217-C336 WeakPolarHBondContact CH2-O 3.47Å; W217-C336 HydrophobicContact CZ2-CB 3.68Å; W217-C336 HydrophobicContact CZ3-CB 3.96Å; K332-C336 WeakPolarHBondContact O-CB 3.33Å; K332-C336 PolarHBondContact O-N 3.09Å; K332-C336 VanDerWaalsContact O-N 3.09Å; K332-C336 PolarHBondContact O-SG 3.31Å; T333-C336 PolarHBondContact O-N 3.25Å; E334-C336 PolarHBondContact O-N 3.47Å; C336-L339 PolarHBondContact O-N 3Å; C336-L340 WeakPolarHBondContact O-CB 3.16Å; C336-L340 VanDerWaalsContact O-CG 3.31Å; C336-L340 WeakPolarHBondContact O-CG 3.41Å; C336-L340 PolarHBondContact O-N 3Å
337D96Very high94.2Very high52 Ų5254.3 Ų54.328%0.27828%0.278SS..Hα-helixtrans-70.4-39.2-175.6-73.5-17.7000112.6Y212 K213 T333 E334 L339 L340 A341Y212-D337 VanDerWaalsContact CE1-OD1 3.32Å; Y212-D337 WeakPolarHBondContact CE1-OD1 3.36Å; Y212-D337 PolarHBondContact OH-OD1 3.41Å; Y212-D337 PolarHBondContact OH-OD2 3.19Å; K213-D337 VanDerWaalsContact CE-OD1 3.31Å; K213-D337 WeakPolarHBondContact CE-OD1 3.35Å; K213-D337 IonicContact NZ-OD1 3.28Å; K213-D337 PolarHBondContact NZ-OD1 2.96Å; K213-D337 IonicContact NZ-OD2 3.74Å; K213-D337 PolarHBondContact NZ-OD2 3.37Å; T333-D337 WeakPolarHBondContact O-CB 3.49Å; T333-D337 PolarHBondContact O-N 3.49Å; E334-D337 PolarHBondContact O-N 2.78Å; D337-L339 PolarHBondContact O-N 3.43Å; D337-L340 PolarHBondContact O-N 3.18Å; D337-A341 PolarHBondContact O-N 2.95Å
338R94.3Very high94.2Very high90 Ų9060.2 Ų60.234%0.3430%0.304SS..Hα-helixtrans-61.2-43.1171.1-72.5-177.8170.1-137-5.8112.3P283 G314 P316 E334 L340 A341 H342P283-R338 HydrophobicContact CB-CB 4.06Å; G314-R338 PolarHBondContact O-NH1 3.1Å; P316-R338 VanDerWaalsContact CG-CZ 3.41Å; E334-R338 WeakPolarHBondContact O-CB 3.35Å; E334-R338 WeakPolarHBondContact O-CG 3.42Å; E334-R338 PolarHBondContact O-N 3.05Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L340 PolarHBondContact O-N 3.16Å; R338-A341 PolarHBondContact O-N 3.49Å; R338-H342 PolarHBondContact O-N 3.43Å
339L95.1Very high94.1Very high4 Ų467.2 Ų67.22%0.02133%0.334CS..Hα-helixtrans-65.9-38.5176-16862.4000112R169 W217 A250 P283 A335 C336 D337 R343R169-L339 HydrophobicContact CB-CD2 4.23Å; W217-L339 HydrophobicContact CE3-CD2 4.39Å; W217-L339 HydrophobicContact CH2-CB 4.11Å; W217-L339 HydrophobicContact CH2-CD2 4.2Å; W217-L339 HydrophobicContact CZ3-CB 4.02Å; W217-L339 HydrophobicContact CZ3-CD2 3.52Å; W217-L339 HydrophobicContact CZ3-CG 4.26Å; A250-L339 HydrophobicContact CB-CB 4.16Å; A250-L339 HydrophobicContact CB-CD1 4.36Å; A250-L339 HydrophobicContact CB-CD2 4.43Å; P283-L339 HydrophobicContact CG-CB 4.27Å; P283-L339 HydrophobicContact CG-CD1 3.71Å; A335-L339 WeakPolarHBondContact O-CB 3.49Å; A335-L339 PolarHBondContact O-N 3.34Å; A335-L339 VanDerWaalsContact O-N 3.13Å; C336-L339 PolarHBondContact O-N 3Å; D337-L339 PolarHBondContact O-N 3.43Å; L339-R343 HydrophobicContact CD1-CG 4.3Å; L339-R343 HydrophobicContact CG-CG 4.26Å; L339-R343 VanDerWaalsContact O-CB 3.27Å; L339-R343 WeakPolarHBondContact O-CB 3.28Å; L339-R343 WeakPolarHBondContact O-CG 3.2Å; L339-R343 PolarHBondContact O-N 2.89Å
340L95.1Very high94Very high32 Ų3263.2 Ų63.217%0.16832%0.321CS..Hα-helixtrans-62.9-45.7176.4-74.8176000111.2K213 L215 W217 C336 D337 R338 R343 V344K213-L340 HydrophobicContact CD-CD1 4.11Å; L215-L340 HydrophobicContact CD1-CD2 3.89Å; W217-L340 HydrophobicContact CH2-CD2 4.11Å; W217-L340 HydrophobicContact CH2-CG 3.83Å; W217-L340 HydrophobicContact CZ2-CD1 4Å; W217-L340 HydrophobicContact CZ2-CD2 3.85Å; W217-L340 HydrophobicContact CZ2-CG 3.72Å; C336-L340 WeakPolarHBondContact O-CB 3.16Å; C336-L340 VanDerWaalsContact O-CG 3.31Å; C336-L340 WeakPolarHBondContact O-CG 3.41Å; C336-L340 PolarHBondContact O-N 3Å; D337-L340 PolarHBondContact O-N 3.18Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L340 PolarHBondContact O-N 3.16Å; L340-R343 PolarHBondContact O-N 3.03Å; L340-V344 WeakPolarHBondContact O-CB 3.3Å; L340-V344 VanDerWaalsContact O-CG2 3.25Å; L340-V344 WeakPolarHBondContact O-CG2 3.22Å; L340-V344 PolarHBondContact O-N 3Å
341A94.1Very high93.8Very high64 Ų6464.7 Ų64.753%0.52933%0.332SS..Hα-helixtrans-56.2-54.117800000111.5D337 R338 R343 V344 E345D337-A341 PolarHBondContact O-N 2.95Å; R338-A341 PolarHBondContact O-N 3.49Å; A341-R343 VanDerWaalsContact C-N 3.31Å; A341-R343 PolarHBondContact O-N 3.31Å; A341-V344 PolarHBondContact O-N 3.26Å; A341-E345 PolarHBondContact O-N 2.94Å
342H92Very high93.5Very high65 Ų6571.5 Ų71.530%0.30136%0.362SS..Hα-helixtrans-60.5-38.7178.8-175.4-100.2000112.7N281 R338 T346N281-H342 PolarHBondContact O-CE1 2.81Å; R338-H342 PolarHBondContact O-N 3.43Å; H342-T346 PolarHBondContact O-N 3.09Å; H342-T346 PolarHBondContact O-OG1 3.39Å
343R93.1Very high93.4Very high58 Ų5871.2 Ų71.222%0.21936%0.363CS..Hα-helixtrans-72.5-37.4179.1-73.3-175.778.3108.80.7113N167 T168 L339 L340 A341 E345 T346 K347N167-R343 PolarHBondContact O-NH2 2.98Å; T168-R343 PolarHBondContact O-NH1 3.35Å; L339-R343 HydrophobicContact CD1-CG 4.3Å; L339-R343 HydrophobicContact CG-CG 4.26Å; L339-R343 VanDerWaalsContact O-CB 3.27Å; L339-R343 WeakPolarHBondContact O-CB 3.28Å; L339-R343 WeakPolarHBondContact O-CG 3.2Å; L339-R343 PolarHBondContact O-N 2.89Å; L340-R343 PolarHBondContact O-N 3.03Å; A341-R343 VanDerWaalsContact C-N 3.31Å; A341-R343 PolarHBondContact O-N 3.31Å; R343-E345 VanDerWaalsContact C-N 3.34Å; R343-T346 PolarHBondContact O-N 3.09Å; R343-K347 WeakPolarHBondContact O-CB 3.31Å; R343-K347 WeakPolarHBondContact O-CG 3.05Å; R343-K347 PolarHBondContact O-N 3.01Å
344V92.9Very high93.1Very high81 Ų8174.8 Ų74.849%0.49138%0.381SS..Hα-helixtrans-65.4-42.5175171.50000109.5L340 A341 T346 K347 M348L340-V344 WeakPolarHBondContact O-CB 3.3Å; L340-V344 VanDerWaalsContact O-CG2 3.25Å; L340-V344 WeakPolarHBondContact O-CG2 3.22Å; L340-V344 PolarHBondContact O-N 3Å; A341-V344 PolarHBondContact O-N 3.26Å; V344-T346 PolarHBondContact O-N 3.37Å; V344-K347 CarbonylContact O-C 3.54Å; V344-K347 WeakPolarHBondContact O-CA 3.4Å; V344-K347 WeakPolarHBondContact O-CB 3.33Å; V344-K347 PolarHBondContact O-N 3.46Å; V344-K347 VanDerWaalsContact O-N 3.07Å; V344-M348 HydrophobicContact CG1-CG 4.31Å; V344-M348 HydrophobicContact CG1-SD 4.19Å; V344-M348 WeakPolarHBondContact O-CG 3.49Å; V344-M348 PolarHBondContact O-N 2.97Å
345E93.3Very high93Very high95 Ų9578.1 Ų78.144%0.44440%0.397SS..Hα-helixtrans-59.2-48.1174.7-166.2-164.7149.300111.8A341 R343 K347 M348 K349A341-E345 PolarHBondContact O-N 2.94Å; R343-E345 VanDerWaalsContact C-N 3.34Å; E345-K347 PolarHBondContact O-N 3.41Å; E345-M348 PolarHBondContact O-N 3.2Å; E345-K349 WeakPolarHBondContact O-CG 3.13Å; E345-K349 PolarHBondContact O-N 3.44Å; E345-K349 WeakPolarHBondContact OE1-CE 3.1Å; E345-K349 IonicContact OE1-NZ 2.65Å; E345-K349 PolarHBondContact OE1-NZ 2.76Å
346T91.9Very high92.8Very high77 Ų7780.9 Ų80.947%0.47241%0.413SS..Hα-helixtrans-59.8-35.3174.8-55.60000111.9H342 R343 V344 G350H342-T346 PolarHBondContact O-N 3.09Å; H342-T346 PolarHBondContact O-OG1 3.39Å; R343-T346 PolarHBondContact O-N 3.09Å; V344-T346 PolarHBondContact O-N 3.37Å; T346-G350 PolarHBondContact O-N 2.91Å
347K91.4Very high92.7Very high118 Ų11885 Ų8551%0.51344%0.435SS..Hα-helixtrans-71.4-42177-77.1-76.4-177.3175.40111.9R343 V344 E345 K349 G350 V353R343-K347 WeakPolarHBondContact O-CB 3.31Å; R343-K347 WeakPolarHBondContact O-CG 3.05Å; R343-K347 PolarHBondContact O-N 3.01Å; V344-K347 CarbonylContact O-C 3.54Å; V344-K347 WeakPolarHBondContact O-CA 3.4Å; V344-K347 WeakPolarHBondContact O-CB 3.33Å; V344-K347 PolarHBondContact O-N 3.46Å; V344-K347 VanDerWaalsContact O-N 3.07Å; E345-K347 PolarHBondContact O-N 3.41Å; K347-K349 VanDerWaalsContact C-N 3.33Å; K347-G350 CarbonylContact O-C 3.57Å; K347-G350 WeakPolarHBondContact O-CA 3.34Å; K347-G350 PolarHBondContact O-N 3.03Å; K347-V353 HydrophobicContact CB-CG2 4.28Å; K347-V353 VanDerWaalsContact O-CG2 3.28Å; K347-V353 WeakPolarHBondContact O-CG2 3.27Å
348M91.8Very high92.5Very high137 Ų13788.3 Ų88.368%0.67545%0.453SS*.Hα-helixtrans-64.5-35.8176.3-72.7-176.169.900112.2V344 E345 G350V344-M348 HydrophobicContact CG1-CG 4.31Å; V344-M348 HydrophobicContact CG1-SD 4.19Å; V344-M348 WeakPolarHBondContact O-CG 3.49Å; V344-M348 PolarHBondContact O-N 2.97Å; E345-M348 PolarHBondContact O-N 3.2Å; M348-G350 PolarHBondContact O-N 3.4Å
349K92.8Very high92.5Very high157 Ų15793.9 Ų93.968%0.68347%0.473SS*.THydrogen-bonded Turntrans-63-18.2169.8-74.7172.2171.6164.10113.1E345 K347E345-K349 WeakPolarHBondContact O-CG 3.13Å; E345-K349 PolarHBondContact O-N 3.44Å; E345-K349 WeakPolarHBondContact OE1-CE 3.1Å; E345-K349 IonicContact OE1-NZ 2.65Å; E345-K349 PolarHBondContact OE1-NZ 2.76Å; K347-K349 VanDerWaalsContact C-N 3.33Å
350G92Very high92.4Very high30 Ų3099.7 Ų99.731%0.30950%0.504SS..SBendtrans-100.5158.7177.500000113.5T346 K347 M348 K352T346-G350 PolarHBondContact O-N 2.91Å; K347-G350 CarbonylContact O-C 3.57Å; K347-G350 WeakPolarHBondContact O-CA 3.34Å; K347-G350 PolarHBondContact O-N 3.03Å; M348-G350 PolarHBondContact O-N 3.4Å; G350-K352 VanDerWaalsContact C-N 3.26Å; G350-K352 PolarHBondContact O-N 2.99Å
351N91.3Very high92.3Very high140 Ų140104.8 Ų104.875%0.74953%0.527SS*.G310 helixtrans-75.9-8.9-173.9-60.1-12.6000114.8V353N351-V353 VanDerWaalsContact C-N 3.29Å; N351-V353 PolarHBondContact O-N 2.87Å
352K89.3Confident92.4Very high143 Ų143108.9 Ų108.962%0.62254%0.539SS*.G310 helixtrans-75-13.9-171.8-65.5-171.8177.9-174.70114.4G350 N354G350-K352 VanDerWaalsContact C-N 3.26Å; G350-K352 PolarHBondContact O-N 2.99Å; K352-N354 VanDerWaalsContact C-N 3.29Å
353V91.5Very high92.5Very high35 Ų35109.4 Ų109.421%0.21255%0.554CS.*G310 helixtrans-67.4-35.6178.81760000110.6K347 N351 E355 V356 L357K347-V353 HydrophobicContact CB-CG2 4.28Å; K347-V353 VanDerWaalsContact O-CG2 3.28Å; K347-V353 WeakPolarHBondContact O-CG2 3.27Å; N351-V353 VanDerWaalsContact C-N 3.29Å; N351-V353 PolarHBondContact O-N 2.87Å; V353-E355 PolarHBondContact O-N 3.23Å; V353-V356 WeakPolarHBondContact O-CG2 3.42Å; V353-V356 PolarHBondContact O-N 2.89Å; V353-L357 HydrophobicContact CG1-CD2 4.02Å; V353-L357 HydrophobicContact CG1-CG 4.46Å; V353-L357 PolarHBondContact O-N 2.92Å
354N90Very high92.5Very high114 Ų114112.2 Ų112.261%0.6158%0.578SS**G310 helixtrans-60.1-32.4-177.3-64.1-16.8000113K352 V356K352-N354 VanDerWaalsContact C-N 3.29Å; N354-V356 VanDerWaalsContact C-N 3.25Å; N354-V356 PolarHBondContact O-N 3.37Å
355E92.9Very high92.4Very high149 Ų149114 Ų11470%0.69659%0.591SS**G310 helixtrans-68.1-22177.9-63.5175.4-172.700113.5V353 N358V353-E355 PolarHBondContact O-N 3.23Å; E355-N358 PolarHBondContact O-OD1 3.13Å
356V92.4Very high92.3Very high57 Ų57116.7 Ų116.735%0.34561%0.609SS.*G310 helixtrans-112.2-2-174.7-62.70000113.8V353 N354 N358 R359 L360V353-V356 WeakPolarHBondContact O-CG2 3.42Å; V353-V356 PolarHBondContact O-N 2.89Å; N354-V356 VanDerWaalsContact C-N 3.25Å; N354-V356 PolarHBondContact O-N 3.37Å; V356-N358 PolarHBondContact O-N 3.12Å; V356-R359 WeakPolarHBondContact O-CB 3.5Å; V356-R359 PolarHBondContact O-N 3.05Å; V356-L360 PolarHBondContact O-N 3.12Å
357L92.9Very high92.2Very high86 Ų86121 Ų12145%0.4562%0.621SS.*Hα-helixtrans-57.1-37.6-179-74.3175.3000112.7V353 R359 L360 H361V353-L357 HydrophobicContact CG1-CD2 4.02Å; V353-L357 HydrophobicContact CG1-CG 4.46Å; V353-L357 PolarHBondContact O-N 2.92Å; L357-R359 PolarHBondContact O-N 2.63Å; L357-L360 HydrophobicContact CD2-CD1 4.5Å; L357-L360 PolarHBondContact O-N 3.34Å; L357-L360 VanDerWaalsContact O-N 3.07Å; L357-H361 PolarHBondContact O-N 3Å; L357-H361 VanDerWaalsContact O-N 3.16Å
358N93.2Very high92.1Very high123 Ų123125.4 Ų125.466%0.65863%0.634SS**Hα-helixtrans-60.1-24.9175.964.1-24.2000113.7E355 V356E355-N358 PolarHBondContact O-OD1 3.13Å; V356-N358 PolarHBondContact O-N 3.12Å
359R93.6Very high92Very high206 Ų206120.9 Ų120.978%0.77761%0.613SS**Hα-helixtrans-85.5-24.6176.5-57.5-176.5-177.1-170.2-0.3113V356 L357V356-R359 WeakPolarHBondContact O-CB 3.5Å; V356-R359 PolarHBondContact O-N 3.05Å; L357-R359 PolarHBondContact O-N 2.63Å
360L92.6Very high91.9Very high127 Ų127120 Ų12067%0.66562%0.616SS**Hα-helixtrans-83.4-22.6179.6-64.2174.7000111.9V356 L357 L362V356-L360 PolarHBondContact O-N 3.12Å; L357-L360 HydrophobicContact CD2-CD1 4.5Å; L357-L360 PolarHBondContact O-N 3.34Å; L357-L360 VanDerWaalsContact O-N 3.07Å; L360-L362 PolarHBondContact O-N 3.44Å
361H93.8Very high91.9Very high138 Ų138125.8 Ų125.864%0.63963%0.632SS**  trans-73.3115.9180179.8-87.1000112L357L357-H361 PolarHBondContact O-N 3Å; L357-H361 VanDerWaalsContact O-N 3.16Å
362L95.2Very high91.9Very high150 Ų150127.8 Ų127.879%0.78564%0.637SS**  trans-83.3114.9168.6-18063.5000109.4L360 V364L360-L362 PolarHBondContact O-N 3.44Å; L362-V364 PolarHBondContact O-N 3.28Å
363A94.2Very high91.9Very high76 Ų76128.6 Ų128.663%0.62864%0.636SS**PPolyproline II helixtrans-69.3121.5177.300000111
364V93.6Very high92Very high118 Ų118131.7 Ų131.772%0.71566%0.657SS**PPolyproline II helixtrans-90.3121.3172.3-178.10000108.3L362 N366L362-V364 PolarHBondContact O-N 3.28Å; V364-N366 PolarHBondContact O-N 2.92Å
365P91Very high92.1Very high118 Ų118131.6 Ų131.677%0.76666%0.663SS**PPolyproline II helixtrans-68.7125.317827.1-32.5000110.5
366N90.1Very high92.1Very high152 Ų152133.7 Ų133.781%0.81367%0.67SS**PPolyproline II helixtrans-70.7136.3172.1-69.2-17.5000110.1V364 R368V364-N366 PolarHBondContact O-N 2.92Å; N366-R368 PolarHBondContact O-N 3.49Å
367K89.7Confident92.1Very high168 Ų168136 Ų13673%0.7368%0.679SS**  trans-64.3110.4177.8-166.4-179.9179.3-166.40109.3D370K367-D370 WeakPolarHBondContact CE-OD1 3.27Å; K367-D370 IonicContact NZ-OD1 3.63Å; K367-D370 PolarHBondContact NZ-OD1 3.42Å
368R89.9Confident92.1Very high209 Ų209135 Ų13579%0.78968%0.678SS**  trans-94.5-38.4-178.2-171.1-168.471.6179.32.9112.9N366N366-R368 PolarHBondContact O-N 3.49Å
369D90.9Very high92Very high42 Ų42137.5 Ų137.523%0.22569%0.685CS.*  trans-146.5164.6-176.751.738.7000110.3K371 R373D369-K371 PolarHBondContact O-N 2.82Å; D369-R373 IonicContact OD1-CZ 2.71Å; D369-R373 IonicContact OD1-NH1 3.36Å; D369-R373 PolarHBondContact OD1-NH1 3.44Å; D369-R373 IonicContact OD1-NH2 3.92Å; D369-R373 PolarHBondContact OD1-NH2 3.45Å; D369-R373 IonicContact OD2-CZ 2.82Å; D369-R373 IonicContact OD2-NH2 3.72Å; D369-R373 PolarHBondContact OD2-NH2 2.79Å
370D90.3Very high91.8Very high140 Ų140130 Ų13075%0.74967%0.672SS**SBendtrans-87.125.7176.5-65.4-49.6000112.9K367K367-D370 WeakPolarHBondContact CE-OD1 3.27Å; K367-D370 IonicContact NZ-OD1 3.63Å; K367-D370 PolarHBondContact NZ-OD1 3.42Å
371K90.8Very high91.6Very high150 Ų150128 Ų12865%0.65267%0.665SS**  trans-91.8115.3178.6-64.5-176.8179.4-176.80110.6D369 R373D369-K371 PolarHBondContact O-N 2.82Å; K371-R373 PolarHBondContact O-NH1 3.1Å
372E91.4Very high91.3Very high183 Ų183124.8 Ų124.886%0.85566%0.655SS**  trans-67.3137172.3-62.9-168.3167.900111.3
373R90.3Very high90.8Very high159 Ų159119.8 Ų119.860%0.664%0.635SS**  trans-130.268.6178.4-63.9176.9-175.381.6-3.9109.4D369 K371D369-R373 IonicContact OD1-CZ 2.71Å; D369-R373 IonicContact OD1-NH1 3.36Å; D369-R373 PolarHBondContact OD1-NH1 3.44Å; D369-R373 IonicContact OD1-NH2 3.92Å; D369-R373 PolarHBondContact OD1-NH2 3.45Å; D369-R373 IonicContact OD2-CZ 2.82Å; D369-R373 IonicContact OD2-NH2 3.72Å; D369-R373 PolarHBondContact OD2-NH2 2.79Å; K371-R373 PolarHBondContact O-NH1 3.1Å
374P92.7Very high90.2Very high100 Ų100123.2 Ų123.265%0.64963%0.632SS**  trans-66.3151.9-178.128.5-34.9000111.1F376P374-F376 PolarHBondContact O-N 3.23Å
375P93.3Very high89.4Confident112 Ų112126.2 Ų126.273%0.72763%0.63SS**  trans-66123.5171.128.3-33.3000109.8I377P375-I377 HydrophobicContact CB-CG1 4.42Å; P375-I377 PolarHBondContact O-N 3.05Å; P375-I377 VanDerWaalsContact O-N 3.15Å
376F92.5Very high88.9Confident194 Ų194127.4 Ų127.485%0.85162%0.623SS**  trans-84.987.5177.4-171.7-102.3000110.4P374 P378P374-F376 PolarHBondContact O-N 3.23Å; F376-P378 HydrophobicContact CE1-CG 4.32Å
377I92Very high88.3Confident106 Ų106126.2 Ų126.254%0.54461%0.607SS.*  trans-102.8111.7175.4-56.7175.3000108.2P375 V381 V382P375-I377 HydrophobicContact CB-CG1 4.42Å; P375-I377 PolarHBondContact O-N 3.05Å; P375-I377 VanDerWaalsContact O-N 3.15Å; I377-V381 HydrophobicContact CG2-CB 4.3Å; I377-V381 HydrophobicContact CG2-CG1 4.47Å; I377-V382 HydrophobicContact CG2-CG2 3.85Å
378P92.7Very high87.4Confident64 Ų64124.5 Ų124.542%0.41660%0.604SS.*  trans-60.9142.2178.9-2333000112.1F376 G380 V381F376-P378 HydrophobicContact CE1-CG 4.32Å; P378-G380 PolarHBondContact O-N 3.45Å; P378-G380 VanDerWaalsContact O-N 3.12Å; P378-V381 HydrophobicContact CB-CG2 4.42Å; P378-V381 HydrophobicContact CG-CG2 4.49Å; P378-V381 WeakPolarHBondContact O-CB 3.39Å; P378-V381 PolarHBondContact O-N 3.44Å
379E91.7Very high86.4Confident175 Ų175121.8 Ų121.882%0.81860%0.6SS**Hα-helixtrans-55.2-34.7179.6-66.2-179.7179.900112.5V381 V382 A383E379-V381 VanDerWaalsContact C-N 3.27Å; E379-V381 PolarHBondContact O-N 2.58Å; E379-V382 PolarHBondContact O-N 3.08Å; E379-V382 VanDerWaalsContact O-N 3.17Å; E379-A383 WeakPolarHBondContact O-CB 3.33Å; E379-A383 PolarHBondContact O-N 2.96Å
380G89.1Confident85.6Confident48 Ų48125.3 Ų125.350%0.49562%0.618SS.*Hα-helixtrans-59.7-31.4176.200000114.4P378 R384P378-G380 PolarHBondContact O-N 3.45Å; P378-G380 VanDerWaalsContact O-N 3.12Å; G380-R384 VanDerWaalsContact O-CB 3.25Å; G380-R384 WeakPolarHBondContact O-CB 3.4Å; G380-R384 PolarHBondContact O-N 3.49Å
381V88.6Confident84.6Confident85 Ų85123.9 Ų123.952%0.51563%0.625SS.*Hα-helixtrans-74.6-40.4176.6179.90000110.5I377 P378 E379 R384 R385I377-V381 HydrophobicContact CG2-CB 4.3Å; I377-V381 HydrophobicContact CG2-CG1 4.47Å; P378-V381 HydrophobicContact CB-CG2 4.42Å; P378-V381 HydrophobicContact CG-CG2 4.49Å; P378-V381 WeakPolarHBondContact O-CB 3.39Å; P378-V381 PolarHBondContact O-N 3.44Å; E379-V381 VanDerWaalsContact C-N 3.27Å; E379-V381 PolarHBondContact O-N 2.58Å; V381-R384 PolarHBondContact O-N 3.43Å; V381-R385 PolarHBondContact O-N 2.84Å
382V87.2Confident83.5Confident72 Ų72122.3 Ų122.344%0.43662%0.62SS.*Hα-helixtrans-65-45.2176.2-177.70000110.5I377 E379 R384 R385 K386I377-V382 HydrophobicContact CG2-CG2 3.85Å; E379-V382 PolarHBondContact O-N 3.08Å; E379-V382 VanDerWaalsContact O-N 3.17Å; V382-R384 VanDerWaalsContact C-N 3.34Å; V382-R384 PolarHBondContact O-N 2.82Å; V382-R385 WeakPolarHBondContact O-CB 3.32Å; V382-R385 PolarHBondContact O-N 3.32Å; V382-K386 PolarHBondContact O-N 2.78Å
383A85.4Confident82.3Confident44 Ų44119.5 Ų119.536%0.36462%0.618SS.*Hα-helixtrans-64.2-36.7175.300000112.4E379 K386 R387E379-A383 WeakPolarHBondContact O-CB 3.33Å; E379-A383 PolarHBondContact O-N 2.96Å; A383-K386 PolarHBondContact O-N 3.22Å; A383-R387 WeakPolarHBondContact O-CG 3.34Å; A383-R387 PolarHBondContact O-N 3.29Å
384R81.7Confident81.3Confident149 Ų149121 Ų12156%0.56263%0.629SS**Hα-helixtrans-65.9-36.6174.6-179.2177168.6-179-4.1112.2G380 V381 V382 R387 M388G380-R384 VanDerWaalsContact O-CB 3.25Å; G380-R384 WeakPolarHBondContact O-CB 3.4Å; G380-R384 PolarHBondContact O-N 3.49Å; V381-R384 PolarHBondContact O-N 3.43Å; V382-R384 VanDerWaalsContact C-N 3.34Å; V382-R384 PolarHBondContact O-N 2.82Å; R384-R387 PolarHBondContact O-N 2.86Å; R384-M388 WeakPolarHBondContact O-CG 3.3Å; R384-M388 PolarHBondContact O-N 2.91Å
385R77.3Confident80.5Confident181 Ų181125.3 Ų125.368%0.68364%0.637SS**Hα-helixtrans-61.3-47175-172.5176.8175.1176.1-1.2110.9V381 V382 R387 M388V381-R385 PolarHBondContact O-N 2.84Å; V382-R385 WeakPolarHBondContact O-CB 3.32Å; V382-R385 PolarHBondContact O-N 3.32Å; R385-R387 VanDerWaalsContact C-N 3.34Å; R385-R387 PolarHBondContact O-N 3.17Å; R385-M388 PolarHBondContact O-N 3.41Å
386K79.6Confident79.9Confident142 Ų142126 Ų12662%0.61763%0.628SS**Hα-helixtrans-60-42.2173.8-65.8-177.1178.7-176.70112.2V382 A383 M388 E389V382-K386 PolarHBondContact O-N 2.78Å; A383-K386 PolarHBondContact O-N 3.22Å; K386-M388 PolarHBondContact O-N 3.45Å; K386-E389 PolarHBondContact O-N 2.88Å
387R77.5Confident79.7Confident127 Ų127124.7 Ų124.748%0.47962%0.618SS.*Hα-helixtrans-66.8-28.8176.5-78.2-175.1-70.8175.8-4.9114.1A383 R384 R385 E389 I390A383-R387 WeakPolarHBondContact O-CG 3.34Å; A383-R387 PolarHBondContact O-N 3.29Å; R384-R387 PolarHBondContact O-N 2.86Å; R385-R387 VanDerWaalsContact C-N 3.34Å; R385-R387 PolarHBondContact O-N 3.17Å; R387-E389 VanDerWaalsContact C-N 3.27Å; R387-E389 PolarHBondContact O-N 3.09Å; R387-I390 CarbonylContact O-C 3.46Å; R387-I390 PolarHBondContact O-N 2.62Å
388M71.2Confident79.6Confident133 Ų133122.2 Ų122.266%0.65560%0.604SS**Hα-helixtrans-74.3-18.6177.7-76.4-168.9-63.300113.3R384 R385 K386 I390R384-M388 WeakPolarHBondContact O-CG 3.3Å; R384-M388 PolarHBondContact O-N 2.91Å; R385-M388 PolarHBondContact O-N 3.41Å; K386-M388 PolarHBondContact O-N 3.45Å; M388-I390 VanDerWaalsContact C-N 3.26Å
389E68.6Low79.5Confident152 Ų152125.8 Ų125.871%0.7161%0.609SS**Hα-helixtrans-73.3-23.1172.4-66.5170.9175.200111.4K386 R387K386-E389 PolarHBondContact O-N 2.88Å; R387-E389 VanDerWaalsContact C-N 3.27Å; R387-E389 PolarHBondContact O-N 3.09Å
390I73.5Confident79.5Confident116 Ų116120.8 Ų120.860%0.59559%0.588SS**THydrogen-bonded Turntrans-101.8124.4175-54.8173.1000106.8R387 M388 E392R387-I390 CarbonylContact O-C 3.46Å; R387-I390 PolarHBondContact O-N 2.62Å; M388-I390 VanDerWaalsContact C-N 3.26Å; I390-E392 PolarHBondContact O-N 2.81Å
391A69.2Low79.5Confident109 Ų109120.6 Ų120.690%0.90158%0.576SS**THydrogen-bonded Turntrans-72.358.9-170.600000114.4
392E67.3Low79.7Confident117 Ų117120 Ų12055%0.54757%0.567SS.*PPolyproline II helixtrans-67.8149.8173.4-78.6-174.6174.800111.6I390 K394I390-E392 PolarHBondContact O-N 2.81Å; E392-K394 PolarHBondContact O-N 3.43Å
393P67.2Low80Confident124 Ų124122.2 Ų122.281%0.80558%0.576SS**PPolyproline II helixtrans-57.2130.8179.822.1-32.1000111.2K395P393-K395 PolarHBondContact O-N 3.15Å
394K69.5Low80.4Confident191 Ų191126 Ų12683%0.8359%0.586SS**PPolyproline II helixtrans-59.4126.5177.9-65.8178.7-175.2171.20109.2E392 K396E392-K394 PolarHBondContact O-N 3.43Å; K394-K396 PolarHBondContact O-N 3.45Å
395K75.1Confident80.9Confident190 Ų190123.9 Ų123.983%0.82658%0.584SS**PPolyproline II helixtrans-54128.6168.9-175.8179.5179.4179.70109.2P393 R397P393-K395 PolarHBondContact O-N 3.15Å; K395-R397 PolarHBondContact O-N 3.03Å; K395-R397 VanDerWaalsContact O-N 3.15Å
396K81.8Confident81.6Confident126 Ų126117.2 Ų117.255%0.54857%0.572SS.*PPolyproline II helixtrans-51.1120.6171.8-76.5-168.2173.7-167.40108.8K394 E404K394-K396 PolarHBondContact O-N 3.45Å; K396-E404 IonicContact NZ-OE1 3.32Å; K396-E404 PolarHBondContact NZ-OE1 2.71Å; K396-E404 IonicContact NZ-OE2 3.75Å; K396-E404 PolarHBondContact NZ-OE2 2.96Å
397R87.9Confident82.3Confident168 Ų168118.8 Ų118.863%0.63459%0.586SS**PPolyproline II helixtrans-82.3161.6174.8-62.4-179.7177-175.5-1108.9K395 R399 D400 L401K395-R397 PolarHBondContact O-N 3.03Å; K395-R397 VanDerWaalsContact O-N 3.15Å; R397-R399 PolarHBondContact O-N 3.5Å; R397-R399 VanDerWaalsContact O-N 3.17Å; R397-D400 PolarHBondContact N-OD2 3.31Å; R397-D400 WeakPolarHBondContact O-CA 3.46Å; R397-D400 WeakPolarHBondContact O-CB 3.5Å; R397-D400 PolarHBondContact O-N 3.34Å; R397-L401 PolarHBondContact O-N 2.94Å; R397-L401 VanDerWaalsContact O-N 3.14Å
398E88.8Confident83Confident53 Ų53119.3 Ų119.325%0.24860%0.599CS.*Hα-helixtrans-58.1-30.9172.8-153.866.9-150.200111.7D400 L401 E402 Y409 L411 K415 Y416E398-D400 VanDerWaalsContact C-N 3.31Å; E398-D400 PolarHBondContact O-N 3.49Å; E398-L401 WeakPolarHBondContact O-CB 3.42Å; E398-L401 PolarHBondContact O-N 2.88Å; E398-E402 WeakPolarHBondContact O-CB 3.4Å; E398-E402 PolarHBondContact O-N 3.31Å; E398-Y409 WeakPolarHBondContact CG-OH 3.47Å; E398-Y409 PolarHBondContact OE1-OH 2.95Å; E398-L411 HydrophobicContact CG-CD1 4.21Å; E398-K415 IonicContact OE1-NZ 2.63Å; E398-Y416 PolarHBondContact OE2-OH 3.18Å
399R90.7Very high84Confident140 Ų140115.5 Ų115.553%0.52858%0.577SS.*Hα-helixtrans-63.9-34.8172.8-174.356.6175-172.69.1113R397 E402 L403R397-R399 PolarHBondContact O-N 3.5Å; R397-R399 VanDerWaalsContact O-N 3.17Å; R399-E402 WeakPolarHBondContact CD-OE2 3.26Å; R399-E402 IonicContact CZ-OE1 3.24Å; R399-E402 IonicContact CZ-OE2 2.72Å; R399-E402 IonicContact NE-OE2 3.54Å; R399-E402 IonicContact NH1-OE1 3.82Å; R399-E402 PolarHBondContact NH1-OE1 3.31Å; R399-E402 IonicContact NH1-OE2 3.89Å; R399-E402 PolarHBondContact NH1-OE2 2.98Å; R399-L403 HydrophobicContact CG-CD1 4.36Å; R399-L403 WeakPolarHBondContact O-CB 2.89Å; R399-L403 VanDerWaalsContact O-CG 3.24Å; R399-L403 WeakPolarHBondContact O-CG 3.5Å; R399-L403 PolarHBondContact O-N 2.85Å
400D92Very high85.1Confident69 Ų69115.3 Ų115.337%0.36958%0.58SS.*Hα-helixtrans-71.7-38.1177.6-53.1-36.8000109.9R397 E398 L403 E404R397-D400 PolarHBondContact N-OD2 3.31Å; R397-D400 WeakPolarHBondContact O-CA 3.46Å; R397-D400 WeakPolarHBondContact O-CB 3.5Å; R397-D400 PolarHBondContact O-N 3.34Å; E398-D400 VanDerWaalsContact C-N 3.31Å; E398-D400 PolarHBondContact O-N 3.49Å; D400-L403 PolarHBondContact O-N 3.27Å; D400-E404 WeakPolarHBondContact O-CB 3.42Å; D400-E404 PolarHBondContact O-N 3.47Å
401L90.3Very high86Confident45 Ų45114.4 Ų114.424%0.23658%0.576CS.*Hα-helixtrans-65-43.4172.7-75.1162.8000112.4R397 E398 L403 E404 M405R397-L401 PolarHBondContact O-N 2.94Å; R397-L401 VanDerWaalsContact O-N 3.14Å; E398-L401 WeakPolarHBondContact O-CB 3.42Å; E398-L401 PolarHBondContact O-N 2.88Å; L401-L403 VanDerWaalsContact C-N 3.34Å; L401-L403 PolarHBondContact O-N 3.02Å; L401-E404 PolarHBondContact O-N 2.9Å; L401-M405 WeakPolarHBondContact O-CB 3.45Å; L401-M405 VanDerWaalsContact O-CG 3.28Å; L401-M405 WeakPolarHBondContact O-CG 3.38Å; L401-M405 PolarHBondContact O-N 3.03Å
402E92.8Very high87Confident72 Ų72111.3 Ų111.334%0.33654%0.544SS..Hα-helixtrans-58.7-45.6175-179.9-169.5176.900110.9E398 R399 E404 G406 Y409E398-E402 WeakPolarHBondContact O-CB 3.4Å; E398-E402 PolarHBondContact O-N 3.31Å; R399-E402 WeakPolarHBondContact CD-OE2 3.26Å; R399-E402 IonicContact CZ-OE1 3.24Å; R399-E402 IonicContact CZ-OE2 2.72Å; R399-E402 IonicContact NE-OE2 3.54Å; R399-E402 IonicContact NH1-OE1 3.82Å; R399-E402 PolarHBondContact NH1-OE1 3.31Å; R399-E402 IonicContact NH1-OE2 3.89Å; R399-E402 PolarHBondContact NH1-OE2 2.98Å; E402-E404 VanDerWaalsContact C-N 3.34Å; E402-E404 PolarHBondContact O-N 3.03Å; E402-G406 PolarHBondContact O-N 3.14Å; E402-Y409 HydrophobicContact CB-CD1 3.97Å; E402-Y409 HydrophobicContact CB-CD2 4.41Å; E402-Y409 HydrophobicContact CB-CE1 3.98Å; E402-Y409 HydrophobicContact CB-CE2 4.44Å; E402-Y409 HydrophobicContact CB-CG 4.18Å; E402-Y409 HydrophobicContact CG-CD1 3.68Å; E402-Y409 HydrophobicContact CG-CE1 3.96Å; E402-Y409 HydrophobicContact CG-CG 4.18Å
403L93.6Very high88.2Confident119 Ų119111.6 Ų111.662%0.62355%0.549SS*.Hα-helixtrans-67.1-32.1177.4-71.6171.6000113.1R399 D400 L401R399-L403 HydrophobicContact CG-CD1 4.36Å; R399-L403 WeakPolarHBondContact O-CB 2.89Å; R399-L403 VanDerWaalsContact O-CG 3.24Å; R399-L403 WeakPolarHBondContact O-CG 3.5Å; R399-L403 PolarHBondContact O-N 2.85Å; D400-L403 PolarHBondContact O-N 3.27Å; L401-L403 VanDerWaalsContact C-N 3.34Å; L401-L403 PolarHBondContact O-N 3.02Å
404E93Very high89.2Confident123 Ų123108.3 Ų108.358%0.57552%0.522SS*.Hα-helixtrans-74.7-38.5178.3-174.2171.4-165.700112.2K396 D400 L401 E402K396-E404 IonicContact NZ-OE1 3.32Å; K396-E404 PolarHBondContact NZ-OE1 2.71Å; K396-E404 IonicContact NZ-OE2 3.75Å; K396-E404 PolarHBondContact NZ-OE2 2.96Å; D400-E404 WeakPolarHBondContact O-CB 3.42Å; D400-E404 PolarHBondContact O-N 3.47Å; L401-E404 PolarHBondContact O-N 2.9Å; E402-E404 VanDerWaalsContact C-N 3.34Å; E402-E404 PolarHBondContact O-N 3.03Å
405M91.9Very high89.8Confident105 Ų105102.9 Ų102.952%0.51750%0.499SS..Hα-helixtrans-86.1-22.3-177.9-66-70.2-68.200113.3L401 D407 D408 Y409L401-M405 WeakPolarHBondContact O-CB 3.45Å; L401-M405 VanDerWaalsContact O-CG 3.28Å; L401-M405 WeakPolarHBondContact O-CG 3.38Å; L401-M405 PolarHBondContact O-N 3.03Å; M405-D407 PolarHBondContact O-N 3.49Å; M405-D408 PolarHBondContact O-N 3.2Å; M405-Y409 HydrophobicContact CB-CD2 4.11Å; M405-Y409 HydrophobicContact CB-CG 4.4Å; M405-Y409 HydrophobicContact CG-CD2 4.36Å
406G92.9Very high90.3Very high41 Ų41100.2 Ų100.242%0.42349%0.485SS..G310 helixtrans61.5-130.2176.700000112.8E402 D408 Y409E402-G406 PolarHBondContact O-N 3.14Å; G406-D408 VanDerWaalsContact C-N 3.27Å; G406-D408 PolarHBondContact O-N 3.34Å; G406-Y409 VanDerWaalsContact O-CB 3.23Å; G406-Y409 WeakPolarHBondContact O-CB 3.43Å; G406-Y409 PolarHBondContact O-N 3.33Å
407D92.9Very high90.6Very high174 Ų17499.6 Ų99.693%0.9348%0.479SS*.G310 helixtrans-70-23-176.5-68.4-22.8000113.2M405 Y409M405-D407 PolarHBondContact O-N 3.49Å; D407-Y409 PolarHBondContact O-N 3.05Å
408D92.3Very high90.7Very high138 Ų13899.2 Ų99.274%0.73849%0.489SS*.G310 helixtrans-79.9-1.5177.3-68.5-30.1000112.6M405 G406 I410M405-D408 PolarHBondContact O-N 3.2Å; G406-D408 VanDerWaalsContact C-N 3.27Å; G406-D408 PolarHBondContact O-N 3.34Å; D408-I410 PolarHBondContact O-N 3.3Å
409Y93.5Very high90.8Very high53 Ų53100.4 Ų100.421%0.20850%0.497CS..  trans-71116.6179.4-179.3-106.8000111.7E398 E402 M405 G406 D407 L411E398-Y409 WeakPolarHBondContact CG-OH 3.47Å; E398-Y409 PolarHBondContact OE1-OH 2.95Å; E402-Y409 HydrophobicContact CB-CD1 3.97Å; E402-Y409 HydrophobicContact CB-CD2 4.41Å; E402-Y409 HydrophobicContact CB-CE1 3.98Å; E402-Y409 HydrophobicContact CB-CE2 4.44Å; E402-Y409 HydrophobicContact CB-CG 4.18Å; E402-Y409 HydrophobicContact CG-CD1 3.68Å; E402-Y409 HydrophobicContact CG-CE1 3.96Å; E402-Y409 HydrophobicContact CG-CG 4.18Å; M405-Y409 HydrophobicContact CB-CD2 4.11Å; M405-Y409 HydrophobicContact CB-CG 4.4Å; M405-Y409 HydrophobicContact CG-CD2 4.36Å; G406-Y409 VanDerWaalsContact O-CB 3.23Å; G406-Y409 WeakPolarHBondContact O-CB 3.43Å; G406-Y409 PolarHBondContact O-N 3.33Å; D407-Y409 PolarHBondContact O-N 3.05Å; Y409-L411 HydrophobicContact CE1-CB 4.09Å; Y409-L411 WeakPolarHBondContact OH-CD1 3.39Å
410I91Very high90.7Very high148 Ų148102.6 Ų102.676%0.75952%0.516SS*.  trans-114.5120.3167.5-60.4171.2000107.6D408 D412D408-I410 PolarHBondContact O-N 3.3Å; I410-D412 PolarHBondContact O-N 2.93Å
411L92.3Very high90.7Very high97 Ų97103.1 Ų103.151%0.50852%0.518SS..  trans-65.7104.6173175.869000109.1E398 Y409 L413E398-L411 HydrophobicContact CG-CD1 4.21Å; Y409-L411 HydrophobicContact CE1-CB 4.09Å; Y409-L411 WeakPolarHBondContact OH-CD1 3.39Å; L411-L413 HydrophobicContact CD2-CD2 4Å; L411-L413 HydrophobicContact CG-CD2 4.2Å; L411-L413 PolarHBondContact O-N 3.42Å
412D90.4Very high90.6Very high44 Ų44105.6 Ų105.624%0.23554%0.539CS..  trans-83.9109176178.714.2000111I410 Q414 K415 Y426I410-D412 PolarHBondContact O-N 2.93Å; D412-Q414 VanDerWaalsContact C-N 3.31Å; D412-Q414 WeakPolarHBondContact OD1-CB 3.34Å; D412-Q414 PolarHBondContact OD1-N 2.92Å; D412-K415 HydrophobicContact CB-CB 4.15Å; D412-K415 WeakPolarHBondContact O-CB 3.48Å; D412-K415 PolarHBondContact OD1-N 2.98Å; D412-K415 WeakPolarHBondContact OD2-CB 3.47Å; D412-K415 PolarHBondContact OD2-N 2.64Å; D412-Y426 WeakPolarHBondContact OD2-CE1 3.34Å; D412-Y426 PolarHBondContact OD2-OH 3.24Å; D412-Y426 VanDerWaalsContact OD2-OH 3.05Å
413L91.5Very high90.5Very high123 Ų123106.7 Ų106.764%0.64456%0.555SS**SBendtrans-72-25.4178-59.8178.5000112.4L411 W417L411-L413 HydrophobicContact CD2-CD2 4Å; L411-L413 HydrophobicContact CG-CD2 4.2Å; L411-L413 PolarHBondContact O-N 3.42Å; L413-W417 PolarHBondContact O-NE1 2.9Å
414Q89.1Confident90.4Very high55 Ų55105 Ų10526%0.25754%0.544SS..SBendtrans-79.8-27.6-176.6-67.3178.4-22.400112.3D412 Y416 W417 K425 Y426D412-Q414 VanDerWaalsContact C-N 3.31Å; D412-Q414 WeakPolarHBondContact OD1-CB 3.34Å; D412-Q414 PolarHBondContact OD1-N 2.92Å; Q414-Y416 PolarHBondContact O-N 3.11Å; Q414-W417 HydrophobicContact CG-CE3 4.42Å; Q414-W417 HydrophobicContact CG-CH2 3.92Å; Q414-W417 HydrophobicContact CG-CZ2 4.2Å; Q414-W417 HydrophobicContact CG-CZ3 4.03Å; Q414-W417 PolarHBondContact O-N 3.43Å; Q414-K425 WeakPolarHBondContact CB-O 3.31Å; Q414-Y426 HydrophobicContact CB-CD1 4.29Å; Q414-Y426 HydrophobicContact CB-CE1 4.34Å
415K83Confident90.3Very high77 Ų77101.5 Ų101.534%0.33553%0.527SS..THydrogen-bonded Turntrans-44.1-39.7179.3-169.9175.2174.7-169.10114.5E398 D412E398-K415 IonicContact OE1-NZ 2.63Å; D412-K415 HydrophobicContact CB-CB 4.15Å; D412-K415 WeakPolarHBondContact O-CB 3.48Å; D412-K415 PolarHBondContact OD1-N 2.98Å; D412-K415 WeakPolarHBondContact OD2-CB 3.47Å; D412-K415 PolarHBondContact OD2-N 2.64Å
416Y84Confident90.2Very high135 Ų135103 Ų10353%0.52953%0.528SS..THydrogen-bonded Turntrans-103.37.2-168.3-60.5-58000114.9E398 Q414E398-Y416 PolarHBondContact OE2-OH 3.18Å; Q414-Y416 PolarHBondContact O-N 3.11Å
417W89.2Confident90.1Very high113 Ų113105.7 Ų105.743%0.42853%0.533SS..  trans-76.7144.1176.4-59.8-6.1000111.4L413 Q414 K425L413-W417 PolarHBondContact O-NE1 2.9Å; Q414-W417 HydrophobicContact CG-CE3 4.42Å; Q414-W417 HydrophobicContact CG-CH2 3.92Å; Q414-W417 HydrophobicContact CG-CZ2 4.2Å; Q414-W417 HydrophobicContact CG-CZ3 4.03Å; Q414-W417 PolarHBondContact O-N 3.43Å; W417-K425 WeakPolarHBondContact O-CE 3.24Å; W417-K425 PolarHBondContact O-NZ 3.45Å
418D89.3Confident90.1Very high159 Ų159106.7 Ų106.785%0.8553%0.529SS*.  trans-102102.1170.653.9-30.6000109.8
419L90.7Very high90Very high79 Ų79106.1 Ų106.141%0.41452%0.524SS..  trans-107.2161.1175.4-61.1-179.1000110.2N421 E424 K425L419-N421 VanDerWaalsContact C-N 3.3Å; L419-N421 PolarHBondContact O-N 3.44Å; L419-E424 HydrophobicContact CD1-CB 4.32Å; L419-K425 HydrophobicContact CD1-CB 4.49Å; L419-K425 HydrophobicContact CD1-CG 4.11Å; L419-K425 HydrophobicContact CG-CG 4.43Å
420M90.1Very high90Very high185 Ų185108.3 Ų108.391%0.91155%0.545SS*.SBendtrans-54.6-47.6175.9-175.270.998.600111.2
421N91Very high90Very high80 Ų80108.4 Ų108.443%0.42854%0.542SS..SBendtrans-109.7127.2174.3-64.5-32.3000109.7L419 S423 E424L419-N421 VanDerWaalsContact C-N 3.3Å; L419-N421 PolarHBondContact O-N 3.44Å; N421-S423 PolarHBondContact O-N 3.43Å; N421-E424 HydrophobicContact CB-CG 4.11Å; N421-E424 WeakPolarHBondContact CB-OE1 3.36Å; N421-E424 PolarHBondContact ND2-OE1 2.68Å; N421-E424 PolarHBondContact O-N 2.89Å
422S89.1Confident90Very high97 Ų97109.3 Ų109.368%0.67855%0.546SS*.G310 helixtrans-68.8-21.7179.958.50000113.6E424 K425S422-E424 VanDerWaalsContact C-N 3.29Å; S422-E424 PolarHBondContact O-N 3.07Å; S422-K425 WeakPolarHBondContact O-CG 3.35Å
423S90.7Very high90Very high95 Ų95115.7 Ų115.766%0.66457%0.567SS**G310 helixtrans-67.1-27178.449.50000113.7N421N421-S423 PolarHBondContact O-N 3.43Å
424E90.7Very high90Very high84 Ų84117.4 Ų117.439%0.39357%0.572SS.*G310 helixtrans-87.9-2-172.3-62.4167.3-162.600112.9L419 N421 S422 Y426 D427L419-E424 HydrophobicContact CD1-CB 4.32Å; N421-E424 HydrophobicContact CB-CG 4.11Å; N421-E424 WeakPolarHBondContact CB-OE1 3.36Å; N421-E424 PolarHBondContact ND2-OE1 2.68Å; N421-E424 PolarHBondContact O-N 2.89Å; S422-E424 VanDerWaalsContact C-N 3.29Å; S422-E424 PolarHBondContact O-N 3.07Å; E424-Y426 PolarHBondContact O-N 2.98Å; E424-Y426 VanDerWaalsContact O-N 3.12Å; E424-D427 WeakPolarHBondContact CA-OD2 3.25Å; E424-D427 WeakPolarHBondContact O-CB 3.28Å; E424-D427 PolarHBondContact O-N 3.15Å; E424-D427 VanDerWaalsContact O-N 3.1Å
425K90.3Very high90Very high50 Ų50118.1 Ų118.122%0.21759%0.594CS.*G310 helixtrans-57.5-31.8-175.3-71.5-171.3-171-157.50113.8Q414 W417 L419 S422Q414-K425 WeakPolarHBondContact CB-O 3.31Å; W417-K425 WeakPolarHBondContact O-CE 3.24Å; W417-K425 PolarHBondContact O-NZ 3.45Å; L419-K425 HydrophobicContact CD1-CB 4.49Å; L419-K425 HydrophobicContact CD1-CG 4.11Å; L419-K425 HydrophobicContact CG-CG 4.43Å; S422-K425 WeakPolarHBondContact O-CG 3.35Å
426Y90.6Very high90.4Very high136 Ų136119.4 Ų119.453%0.53360%0.601SS.*G310 helixtrans-101.68-176.5-65.4-82000113.5D412 Q414 E424D412-Y426 WeakPolarHBondContact OD2-CE1 3.34Å; D412-Y426 PolarHBondContact OD2-OH 3.24Å; D412-Y426 VanDerWaalsContact OD2-OH 3.05Å; Q414-Y426 HydrophobicContact CB-CD1 4.29Å; Q414-Y426 HydrophobicContact CB-CE1 4.34Å; E424-Y426 PolarHBondContact O-N 2.98Å; E424-Y426 VanDerWaalsContact O-N 3.12Å
427D91.6Very high90.8Very high98 Ų98116.7 Ų116.752%0.52460%0.595SS.*  trans-69.2141.8178.2-73.2-16.5000110.9E424E424-D427 WeakPolarHBondContact CA-OD2 3.25Å; E424-D427 WeakPolarHBondContact O-CB 3.28Å; E424-D427 PolarHBondContact O-N 3.15Å; E424-D427 VanDerWaalsContact O-N 3.1Å
428K91Very high90.9Very high195 Ų195112.8 Ų112.885%0.84859%0.587SS**  trans-87.9112.1177.5-67.5-177.8-177.8177.80109.4P430K428-P430 VanDerWaalsContact O-CD 3.3Å; K428-P430 WeakPolarHBondContact O-CD 3.39Å
429I91.2Very high91.1Very high126 Ų126108.4 Ų108.465%0.64657%0.573SS**  trans-69.7119.9176.3-61.6163.9000109.3E431I429-E431 PolarHBondContact O-N 3.29Å
430P92.5Very high91.2Very high98 Ų98110.2 Ų110.264%0.63658%0.583SS**  trans-66.7113.6172.1-17.832000109.7K428 A438K428-P430 VanDerWaalsContact O-CD 3.3Å; K428-P430 WeakPolarHBondContact O-CD 3.39Å; P430-A438 WeakPolarHBondContact O-CB 3.45Å
431E91.4Very high91.3Very high151 Ų151108 Ų10871%0.70657%0.566SS**  trans-82.8-35.5-177.9-67.1-174.7165.900113I429 N437 A438I429-E431 PolarHBondContact O-N 3.29Å; E431-N437 CarbonylContact O-C 3.57Å; E431-N437 WeakPolarHBondContact O-CA 3.45Å; E431-A438 PolarHBondContact O-N 3.07Å
432I93Very high91.3Very high115 Ų115110.6 Ų110.659%0.5958%0.578SS**EExtended strand (participates in β ladder)trans-130.7131.4-171-59.7173.9000110H436I432-H436 WeakPolarHBondContact CA-O 3.36Å
433W90.2Very high91.5Very high178 Ų178108.1 Ų108.167%0.67456%0.557SS**EExtended strand (participates in β ladder)trans-127.3114.9171.5-177.1-94000110.2G435 H436W433-G435 VanDerWaalsContact C-N 3.25Å; W433-G435 PolarHBondContact O-N 3.18Å; W433-H436 PolarHBondContact N-O 2.84Å; W433-H436 PolarHBondContact O-N 3.22Å
434E90.8Very high91.6Very high160 Ų160110.5 Ų110.575%0.74857%0.57SS**THydrogen-bonded Turntrans47.341.1173.6-61.4-169.1149.800115.2H436E434-H436 PolarHBondContact O-ND1 2.7Å
435G89.1Confident91.7Very high69 Ų69108.5 Ų108.571%0.71157%0.569SS**THydrogen-bonded Turntrans86.62.1178.200000115.5W433W433-G435 VanDerWaalsContact C-N 3.25Å; W433-G435 PolarHBondContact O-N 3.18Å
436H91.8Very high91.8Very high104 Ų104109.5 Ų109.548%0.48158%0.575SS.*EExtended strand (participates in β ladder)trans-110.6149171.6-50.781.8000109.3I432 W433 E434 Y441I432-H436 WeakPolarHBondContact CA-O 3.36Å; W433-H436 PolarHBondContact N-O 2.84Å; W433-H436 PolarHBondContact O-N 3.22Å; E434-H436 PolarHBondContact O-ND1 2.7Å; H436-Y441 HydrophobicContact CB-CE2 4.1Å
437N92.8Very high91.9Very high78 Ų78109 Ų10942%0.41758%0.58SS.*EExtended strand (participates in β ladder)trans-84.2131.3175.2-52.2-28.3000108.6E431 A439 D440 Y441E431-N437 CarbonylContact O-C 3.57Å; E431-N437 WeakPolarHBondContact O-CA 3.45Å; N437-A439 PolarHBondContact O-N 3.08Å; N437-D440 WeakPolarHBondContact CB-OD2 3.46Å; N437-D440 WeakPolarHBondContact O-CB 3.16Å; N437-D440 PolarHBondContact O-N 3.15Å; N437-Y441 WeakPolarHBondContact O-CD2 3.16Å
438A92.1Very high91.8Very high32 Ų32110.7 Ų110.726%0.26458%0.582SS.*G310 helixtrans-63-32.6176.900000111.7P430 E431 D440 Y441P430-A438 WeakPolarHBondContact O-CB 3.45Å; E431-A438 PolarHBondContact O-N 3.07Å; A438-D440 PolarHBondContact O-N 3.13Å; A438-Y441 PolarHBondContact O-N 2.92Å
439A92.4Very high91.8Very high67 Ų67106.9 Ų106.955%0.55457%0.566SS**G310 helixtrans-56.8-30.4176.300000113.3N437 Y441 I442N437-A439 PolarHBondContact O-N 3.08Å; A439-Y441 PolarHBondContact O-N 2.9Å; A439-I442 PolarHBondContact O-N 2.8Å
440D92.6Very high91.8Very high117 Ų117104.6 Ų104.663%0.62655%0.554SS**G310 helixtrans-68.9-15.6178.9-59.5-20.2000112.3N437 A438N437-D440 WeakPolarHBondContact CB-OD2 3.46Å; N437-D440 WeakPolarHBondContact O-CB 3.16Å; N437-D440 PolarHBondContact O-N 3.15Å; A438-D440 PolarHBondContact O-N 3.13Å
441Y92.1Very high91.7Very high138 Ų138105 Ų10554%0.54155%0.548SS..G310 helixtrans-1113.6-177.9-66.4-93.8000113.6H436 N437 A438 A439 D443H436-Y441 HydrophobicContact CB-CE2 4.1Å; N437-Y441 WeakPolarHBondContact O-CD2 3.16Å; A438-Y441 PolarHBondContact O-N 2.92Å; A439-Y441 PolarHBondContact O-N 2.9Å; Y441-D443 PolarHBondContact O-N 3.2Å
442I92.4Very high91.6Very high134 Ų134103.1 Ų103.169%0.68754%0.539SS*.  trans-76.9103177-60.2179.2000109.2A439A439-I442 PolarHBondContact O-N 2.8Å
443D91.9Very high91.3Very high46 Ų46102 Ų10225%0.24653%0.534CS..  trans-143.3127.9177.9-178.3-19.8000109.6Y441 A445 I446 K449Y441-D443 PolarHBondContact O-N 3.2Å; D443-A445 PolarHBondContact O-N 3.5Å; D443-A445 PolarHBondContact OD1-N 3.34Å; D443-I446 HydrophobicContact CB-CB 4.22Å; D443-I446 VanDerWaalsContact O-CB 3.31Å; D443-I446 WeakPolarHBondContact O-CB 3.49Å; D443-I446 WeakPolarHBondContact O-CG2 3.36Å; D443-I446 PolarHBondContact O-N 3.41Å; D443-K449 WeakPolarHBondContact OD2-CE 3.24Å; D443-K449 IonicContact OD2-NZ 3.1Å; D443-K449 PolarHBondContact OD2-NZ 3.1Å
444P93.4Very high91.1Very high144 Ų14497.9 Ų97.994%0.93552%0.522SS*.THydrogen-bonded Turntrans-57.5-22.4177.724.2-35.2000113.7
445A93.1Very high90.8Very high43 Ų4396.6 Ų96.636%0.35551%0.514SS..THydrogen-bonded Turntrans-10214.1178.300000114D443 M447 K448 K449D443-A445 PolarHBondContact O-N 3.5Å; D443-A445 PolarHBondContact OD1-N 3.34Å; A445-M447 VanDerWaalsContact C-N 3.31Å; A445-M447 PolarHBondContact O-N 3.48Å; A445-K448 PolarHBondContact O-N 3.24Å; A445-K448 VanDerWaalsContact O-N 3.14Å; A445-K449 PolarHBondContact O-N 2.87Å; A445-K449 VanDerWaalsContact O-N 3.12Å
446I92.3Very high90.3Very high70 Ų7095.2 Ų95.236%0.35950%0.5SS..Hα-helixtrans-57.2-40.3-173.9-16762.3000113.2D443 K448 K449 L450D443-I446 HydrophobicContact CB-CB 4.22Å; D443-I446 VanDerWaalsContact O-CB 3.31Å; D443-I446 WeakPolarHBondContact O-CB 3.49Å; D443-I446 WeakPolarHBondContact O-CG2 3.36Å; D443-I446 PolarHBondContact O-N 3.41Å; I446-K448 PolarHBondContact O-N 3.26Å; I446-K449 PolarHBondContact O-N 3.21Å; I446-L450 WeakPolarHBondContact O-CB 3.42Å; I446-L450 PolarHBondContact O-N 3.23Å
447M91.7Very high89.5Confident126 Ų12696.5 Ų96.562%0.62150%0.504SS*.Hα-helixtrans-65.4-38.2-179.9-66.4-58.6-69.800112.1A445 L450 E451A445-M447 VanDerWaalsContact C-N 3.31Å; A445-M447 PolarHBondContact O-N 3.48Å; M447-L450 WeakPolarHBondContact O-CB 3.36Å; M447-L450 PolarHBondContact O-N 3.45Å; M447-E451 WeakPolarHBondContact O-CG 3.5Å; M447-E451 PolarHBondContact O-N 3.25Å
448K91.4Very high88.8Confident134 Ų13499 Ų9958%0.58351%0.511SS*.Hα-helixtrans-66.7-43.4175.8-173-177175.9-175.20111.4A445 I446 L450 E451 E452A445-K448 PolarHBondContact O-N 3.24Å; A445-K448 VanDerWaalsContact O-N 3.14Å; I446-K448 PolarHBondContact O-N 3.26Å; K448-L450 VanDerWaalsContact C-N 3.27Å; K448-L450 PolarHBondContact O-N 3.21Å; K448-E451 PolarHBondContact O-N 2.91Å; K448-E452 WeakPolarHBondContact CE-OE1 3.48Å; K448-E452 WeakPolarHBondContact O-CG 3.4Å; K448-E452 PolarHBondContact O-N 3.47Å
449K90Very high87.8Confident114 Ų114100.3 Ų100.350%0.49652%0.518SS..Hα-helixtrans-61.7-37.5174.4-70.5-179.8176.6176.60111.5D443 A445 I446 L453D443-K449 WeakPolarHBondContact OD2-CE 3.24Å; D443-K449 IonicContact OD2-NZ 3.1Å; D443-K449 PolarHBondContact OD2-NZ 3.1Å; A445-K449 PolarHBondContact O-N 2.87Å; A445-K449 VanDerWaalsContact O-N 3.12Å; I446-K449 PolarHBondContact O-N 3.21Å; K449-L453 VanDerWaalsContact O-CB 3.28Å; K449-L453 WeakPolarHBondContact O-CB 3.33Å; K449-L453 PolarHBondContact O-N 3.1Å
450L91.6Very high86.5Confident79 Ų79100.1 Ų100.141%0.41451%0.513SS..Hα-helixtrans-65.3-46.6175.2-176.265.4000111.2I446 M447 K448 E452 L453 E454I446-L450 WeakPolarHBondContact O-CB 3.42Å; I446-L450 PolarHBondContact O-N 3.23Å; M447-L450 WeakPolarHBondContact O-CB 3.36Å; M447-L450 PolarHBondContact O-N 3.45Å; K448-L450 VanDerWaalsContact C-N 3.27Å; K448-L450 PolarHBondContact O-N 3.21Å; L450-E452 PolarHBondContact O-N 2.95Å; L450-L453 PolarHBondContact O-N 3.24Å; L450-E454 WeakPolarHBondContact O-CB 3.49Å; L450-E454 WeakPolarHBondContact O-CG 3.49Å; L450-E454 PolarHBondContact O-N 2.83Å
451E90.1Very high85Confident106 Ų106101 Ų10150%0.49551%0.513SS..Hα-helixtrans-59.4-42.6175.3-76.6-177.9-163.700112.6M447 K448 E454 K455M447-E451 WeakPolarHBondContact O-CG 3.5Å; M447-E451 PolarHBondContact O-N 3.25Å; K448-E451 PolarHBondContact O-N 2.91Å; E451-E454 PolarHBondContact O-N 3.33Å; E451-K455 WeakPolarHBondContact O-CB 3.36Å; E451-K455 VanDerWaalsContact O-CG 3.28Å; E451-K455 WeakPolarHBondContact O-CG 3.28Å; E451-K455 PolarHBondContact O-N 3.44Å
452E88.2Confident83.7Confident112 Ų112102.3 Ų102.352%0.52352%0.524SS..Hα-helixtrans-63.4-40.9175-74.3173-170.300111.6K448 L450 K455 G456K448-E452 WeakPolarHBondContact CE-OE1 3.48Å; K448-E452 WeakPolarHBondContact O-CG 3.4Å; K448-E452 PolarHBondContact O-N 3.47Å; L450-E452 PolarHBondContact O-N 2.95Å; E452-K455 PolarHBondContact O-N 3.1Å; E452-G456 PolarHBondContact O-N 2.95Å
453L87.4Confident82.1Confident91 Ų91103.1 Ų103.148%0.47653%0.529SS..Hα-helixtrans-68-39.6177.2-171.2151.3000111.8K449 L450 G456 K457K449-L453 VanDerWaalsContact O-CB 3.28Å; K449-L453 WeakPolarHBondContact O-CB 3.33Å; K449-L453 PolarHBondContact O-N 3.1Å; L450-L453 PolarHBondContact O-N 3.24Å; L453-G456 PolarHBondContact O-N 3.23Å; L453-K457 HydrophobicContact CD2-CD 3.8Å; L453-K457 HydrophobicContact CD2-CG 4.17Å; L453-K457 WeakPolarHBondContact O-CB 3.43Å; L453-K457 WeakPolarHBondContact O-CG 3.18Å; L453-K457 PolarHBondContact O-N 3Å
454E85.5Confident80.3Confident91 Ų91106.8 Ų106.843%0.42555%0.548SS..Hα-helixtrans-67.1-42.5174.5-75.4-174.7177.200111.9L450 E451 G456 K457 K458L450-E454 WeakPolarHBondContact O-CB 3.49Å; L450-E454 WeakPolarHBondContact O-CG 3.49Å; L450-E454 PolarHBondContact O-N 2.83Å; E451-E454 PolarHBondContact O-N 3.33Å; E454-G456 VanDerWaalsContact C-N 3.33Å; E454-K457 PolarHBondContact O-N 3.21Å; E454-K458 WeakPolarHBondContact O-CB 3.26Å; E454-K458 WeakPolarHBondContact O-CG 3.04Å; E454-K458 PolarHBondContact O-N 2.93Å
455K85Confident78.2Confident133 Ų133101.7 Ų101.758%0.57852%0.522SS*.Hα-helixtrans-60.1-44.4171.2-74.7172.6-172.91700110.6E451 E452 K458 S459E451-K455 WeakPolarHBondContact O-CB 3.36Å; E451-K455 VanDerWaalsContact O-CG 3.28Å; E451-K455 WeakPolarHBondContact O-CG 3.28Å; E451-K455 PolarHBondContact O-N 3.44Å; E452-K455 PolarHBondContact O-N 3.1Å; K455-K458 PolarHBondContact O-N 3.41Å; K455-S459 WeakPolarHBondContact O-CB 3.37Å; K455-S459 PolarHBondContact O-N 3.33Å; K455-S459 PolarHBondContact O-OG 3.4Å; K455-S459 VanDerWaalsContact O-OG 3.09Å
456G79.5Confident76Confident40 Ų40104.5 Ų104.541%0.41254%0.539SS..Hα-helixtrans-61.5-42.5175.500000113.3E452 L453 E454 S459 S460E452-G456 PolarHBondContact O-N 2.95Å; L453-G456 PolarHBondContact O-N 3.23Å; E454-G456 VanDerWaalsContact C-N 3.33Å; G456-S459 PolarHBondContact O-N 2.98Å; G456-S460 WeakPolarHBondContact O-CB 3.28Å; G456-S460 PolarHBondContact O-N 3.33Å
457K75Confident73.8Confident131 Ų131108.6 Ų108.657%0.5756%0.558SS**Hα-helixtrans-65.2-45.4174.7-82.9-176.4175.9171.60112.1L453 E454 S459 S460 E461L453-K457 HydrophobicContact CD2-CD 3.8Å; L453-K457 HydrophobicContact CD2-CG 4.17Å; L453-K457 WeakPolarHBondContact O-CB 3.43Å; L453-K457 WeakPolarHBondContact O-CG 3.18Å; L453-K457 PolarHBondContact O-N 3Å; E454-K457 PolarHBondContact O-N 3.21Å; K457-S459 VanDerWaalsContact C-N 3.35Å; K457-S459 PolarHBondContact O-N 3.48Å; K457-S460 CarbonylContact O-C 3.57Å; K457-S460 PolarHBondContact O-N 3.5Å; K457-S460 VanDerWaalsContact O-N 3.13Å; K457-E461 PolarHBondContact O-N 2.96Å
458K76.5Confident71.5Confident130 Ų130107.4 Ų107.457%0.56556%0.56SS**Hα-helixtrans-59.3-45.2175.7-76.4175.6-179.61720111.3E454 K455 S460 E461 Q462E454-K458 WeakPolarHBondContact O-CB 3.26Å; E454-K458 WeakPolarHBondContact O-CG 3.04Å; E454-K458 PolarHBondContact O-N 2.93Å; K455-K458 PolarHBondContact O-N 3.41Å; K458-S460 VanDerWaalsContact C-N 3.34Å; K458-S460 PolarHBondContact O-N 3.25Å; K458-E461 PolarHBondContact O-N 3.02Å; K458-Q462 WeakPolarHBondContact O-CB 3.07Å; K458-Q462 WeakPolarHBondContact O-CG 3.45Å; K458-Q462 PolarHBondContact O-N 3.31Å
459S73.1Confident69.2Low60 Ų60107.2 Ų107.242%0.4257%0.569SS.*Hα-helixtrans-62.4-39.7174-630000112.1K455 G456 K457 L463K455-S459 WeakPolarHBondContact O-CB 3.37Å; K455-S459 PolarHBondContact O-N 3.33Å; K455-S459 PolarHBondContact O-OG 3.4Å; K455-S459 VanDerWaalsContact O-OG 3.09Å; G456-S459 PolarHBondContact O-N 2.98Å; K457-S459 VanDerWaalsContact C-N 3.35Å; K457-S459 PolarHBondContact O-N 3.48Å; S459-L463 VanDerWaalsContact O-CB 3.28Å; S459-L463 WeakPolarHBondContact O-CB 3.4Å; S459-L463 WeakPolarHBondContact O-CG 3.49Å; S459-L463 PolarHBondContact O-N 2.79Å
460S63.6Low66.7Low63 Ų63105.4 Ų105.444%0.44157%0.572SS.*Hα-helixtrans-68.5-41.5177.1-170.40000112.3G456 K457 K458 Q462 L463 L464G456-S460 WeakPolarHBondContact O-CB 3.28Å; G456-S460 PolarHBondContact O-N 3.33Å; K457-S460 CarbonylContact O-C 3.57Å; K457-S460 PolarHBondContact O-N 3.5Å; K457-S460 VanDerWaalsContact O-N 3.13Å; K458-S460 VanDerWaalsContact C-N 3.34Å; K458-S460 PolarHBondContact O-N 3.25Å; S460-Q462 VanDerWaalsContact C-N 3.35Å; S460-L463 PolarHBondContact O-N 2.59Å; S460-L464 VanDerWaalsContact O-CB 3.29Å; S460-L464 WeakPolarHBondContact O-CB 3.38Å; S460-L464 PolarHBondContact O-N 3.01Å
461E62.5Low64.3Low137 Ų137108.7 Ų108.764%0.6459%0.589SS**Hα-helixtrans-64.8-37.5175.2-81.6179.4159.200112.1K457 K458 G465K457-E461 PolarHBondContact O-N 2.96Å; K458-E461 PolarHBondContact O-N 3.02Å; E461-G465 WeakPolarHBondContact O-CA 3.15Å; E461-G465 PolarHBondContact O-N 2.79Å
462Q64.4Low62Low165 Ų165114.4 Ų114.477%0.77161%0.606SS**Hα-helixtrans-71.1-40.9175.6-75.7178.6-11.900112.9K458 S460K458-Q462 WeakPolarHBondContact O-CB 3.07Å; K458-Q462 WeakPolarHBondContact O-CG 3.45Å; K458-Q462 PolarHBondContact O-N 3.31Å; S460-Q462 VanDerWaalsContact C-N 3.35Å
463L57.9Low60Low150 Ų150114.3 Ų114.379%0.78561%0.613SS**Hα-helixtrans-81.3-38.7-176.8-78.5164.9000113.9S459 S460S459-L463 VanDerWaalsContact O-CB 3.28Å; S459-L463 WeakPolarHBondContact O-CB 3.4Å; S459-L463 WeakPolarHBondContact O-CG 3.49Å; S459-L463 PolarHBondContact O-N 2.79Å; S460-L463 PolarHBondContact O-N 2.59Å
464L54.2Low58.3Low124 Ų124117.7 Ų117.765%0.64962%0.623SS**Hα-helixtrans-88.9-9.7-175.9-117.982.4000113S460 M467S460-L464 VanDerWaalsContact O-CB 3.29Å; S460-L464 WeakPolarHBondContact O-CB 3.38Å; S460-L464 PolarHBondContact O-N 3.01Å; L464-M467 HydrophobicContact CD2-CG 4.3Å
465G49.4Very low57.1Low37 Ų37117 Ų11738%0.38163%0.626SS.*  trans60.7154-159.200000110.1E461 M467E461-G465 WeakPolarHBondContact O-CA 3.15Å; E461-G465 PolarHBondContact O-N 2.79Å; G465-M467 PolarHBondContact O-N 3.19Å
466S47.3Very low56.1Low101 Ų101120.5 Ų120.571%0.70664%0.635SS**  trans-45.1112.3172.856.90000108.7P468S466-P468 VanDerWaalsContact C-N 3.33Å; S466-P468 WeakPolarHBondContact O-CD 3.5Å
467M45.3Very low55.9Low157 Ų157126.1 Ų126.177%0.77365%0.648SS**  trans-54.2106.7171.9-82.2-171.676.200104.7L464 G465 V469L464-M467 HydrophobicContact CD2-CG 4.3Å; G465-M467 PolarHBondContact O-N 3.19Å; M467-V469 PolarHBondContact O-N 3.38Å
468P44.7Very low55.6Low100 Ų100126.1 Ų126.165%0.64965%0.645SS**  trans-64.6118168.94.611.5000100.8S466 S470S466-P468 VanDerWaalsContact C-N 3.33Å; S466-P468 WeakPolarHBondContact O-CD 3.5Å; P468-S470 PolarHBondContact O-N 2.81Å
469V41.3Very low55.3Low130 Ų130126.8 Ų126.879%0.78864%0.644SS**  trans-61.481.5141.6-175.80000102M467 L471M467-V469 PolarHBondContact O-N 3.38Å; V469-L471 PolarHBondContact O-N 2.71Å
470S38.8Very low55.6Low77 Ų77130.3 Ų130.354%0.53865%0.652SS.*  trans-47.2109.315857.10000100.4P468 R472P468-S470 PolarHBondContact O-N 2.81Å; S470-R472 PolarHBondContact O-N 3.26Å
471L41.4Very low56.4Low148 Ų148132.2 Ų132.278%0.77566%0.656SS**  trans-58.287.6169.6-87.1142.7000101.7V469 V473V469-L471 PolarHBondContact O-N 2.71Å; L471-V473 PolarHBondContact O-N 3.17Å
472R40.9Very low57.2Low225 Ų225133.1 Ų133.185%0.84965%0.653SS**  trans-61.695.7163.2-82.9-168.7-179.1-168.81.7100.4S470 K474S470-R472 PolarHBondContact O-N 3.26Å; R472-K474 PolarHBondContact O-N 2.9Å
473V47Very low58.1Low111 Ų111129.8 Ų129.867%0.67364%0.638SS**  trans-32.6115.4-177.6172.70000104.9L471 T475L471-V473 PolarHBondContact O-N 3.17Å; V473-T475 VanDerWaalsContact O-CA 3.27Å; V473-T475 WeakPolarHBondContact O-CA 3.38Å; V473-T475 WeakPolarHBondContact O-CG2 3.32Å; V473-T475 PolarHBondContact O-N 3.35Å
474K51.3Low59.3Low161 Ų161127.2 Ų127.270%0.762%0.624SS**  trans-52.894.6178.7-78.9177.7-177.71680105R472 R476R472-K474 PolarHBondContact O-N 2.9Å; K474-R476 PolarHBondContact O-N 3.19Å
475T59.5Low60.8Low78 Ų78123.3 Ų123.348%0.47961%0.61SS.*  trans-70.6145.6-162.523.50000104.6V473 K477 W478 W479V473-T475 VanDerWaalsContact O-CA 3.27Å; V473-T475 WeakPolarHBondContact O-CA 3.38Å; V473-T475 WeakPolarHBondContact O-CG2 3.32Å; V473-T475 PolarHBondContact O-N 3.35Å; T475-K477 CarbonylContact O-C 3.58Å; T475-K477 PolarHBondContact O-N 2.94Å; T475-W478 PolarHBondContact O-N 3.01Å; T475-W479 PolarHBondContact O-N 3.4Å
476R65.5Low62.5Low206 Ų206128.2 Ų128.278%0.77762%0.621SS**Hα-helixtrans-46.4-28.9168.4-165.7173.6176.5-169.3-0.4111.2K474 K480K474-R476 PolarHBondContact O-N 3.19Å; R476-K480 WeakPolarHBondContact O-CB 3.45Å; R476-K480 WeakPolarHBondContact O-CG 3.08Å; R476-K480 PolarHBondContact O-N 3.49Å
477K74.1Confident64.4Low158 Ų158128.8 Ų128.869%0.68761%0.613SS**Hα-helixtrans-61.5-43.7171.8-159.1176.1-176.1179.40114.1T475 K480 I481T475-K477 CarbonylContact O-C 3.58Å; T475-K477 PolarHBondContact O-N 2.94Å; K477-K480 WeakPolarHBondContact O-CB 3.29Å; K477-K480 PolarHBondContact O-N 3.5Å; K477-I481 WeakPolarHBondContact O-CG1 3.39Å; K477-I481 PolarHBondContact O-N 3.49Å; K477-I481 VanDerWaalsContact O-N 3.12Å
478W68.8Low66.4Low131 Ų131126.3 Ų126.350%0.49660%0.601SS.*Hα-helixtrans-68.6-46.1-178.5-169.193.1000112.6T475 K480 I481 R482T475-W478 PolarHBondContact O-N 3.01Å; W478-K480 PolarHBondContact O-N 3.46Å; W478-I481 PolarHBondContact O-N 3.06Å; W478-I481 VanDerWaalsContact O-N 3.09Å; W478-R482 PolarHBondContact O-N 3.28Å
479W71.3Confident68.3Low144 Ų144130.8 Ų130.855%0.54561%0.605SS.*Hα-helixtrans-59.5-37.6174.6-110106.9000111.9T475 R482 Q483T475-W479 PolarHBondContact O-N 3.4Å; W479-R482 PolarHBondContact O-N 3.5Å; W479-Q483 HydrophobicContact CE3-CG 3.96Å; W479-Q483 HydrophobicContact CZ3-CG 4.13Å; W479-Q483 PolarHBondContact O-N 3.41Å; W479-Q483 VanDerWaalsContact O-N 3.15Å
480K77.8Confident70.5Confident133 Ų133130.7 Ų130.758%0.57860%0.596SS**Hα-helixtrans-60.1-44.9172.6-79.5175.7176.8-172.40112.3R476 K477 W478 R482 L484R476-K480 WeakPolarHBondContact O-CB 3.45Å; R476-K480 WeakPolarHBondContact O-CG 3.08Å; R476-K480 PolarHBondContact O-N 3.49Å; K477-K480 WeakPolarHBondContact O-CB 3.29Å; K477-K480 PolarHBondContact O-N 3.5Å; W478-K480 PolarHBondContact O-N 3.46Å; K480-R482 PolarHBondContact O-N 3.41Å; K480-L484 VanDerWaalsContact O-CB 3.23Å; K480-L484 WeakPolarHBondContact O-CB 3.47Å; K480-L484 PolarHBondContact O-N 2.98Å
481I81.6Confident72.8Confident103 Ų103132.2 Ų132.253%0.52859%0.593SS.*Hα-helixtrans-61.9-43.6179.4-67165.9000111.3K477 W478 L484 A485K477-I481 WeakPolarHBondContact O-CG1 3.39Å; K477-I481 PolarHBondContact O-N 3.49Å; K477-I481 VanDerWaalsContact O-N 3.12Å; W478-I481 PolarHBondContact O-N 3.06Å; W478-I481 VanDerWaalsContact O-N 3.09Å; I481-L484 PolarHBondContact O-N 3.41Å; I481-A485 WeakPolarHBondContact O-CB 3.41Å; I481-A485 PolarHBondContact O-N 3.4Å
482R78Confident75.1Confident156 Ų156132.2 Ų132.259%0.58959%0.587SS**Hα-helixtrans-67.5-43.7-177.5-167.6176.2-173.8176.72.6112.6W478 W479 K480 A485 K486W478-R482 PolarHBondContact O-N 3.28Å; W479-R482 PolarHBondContact O-N 3.5Å; K480-R482 PolarHBondContact O-N 3.41Å; R482-A485 PolarHBondContact O-N 2.97Å; R482-K486 PolarHBondContact O-N 2.92Å
483Q83.1Confident77.2Confident95 Ų95129.1 Ų129.144%0.44458%0.58SS.*Hα-helixtrans-61.8-44.6173.7-78.5-72.5-0.700111.2W479 A485 K486 Q487W479-Q483 HydrophobicContact CE3-CG 3.96Å; W479-Q483 HydrophobicContact CZ3-CG 4.13Å; W479-Q483 PolarHBondContact O-N 3.41Å; W479-Q483 VanDerWaalsContact O-N 3.15Å; Q483-A485 VanDerWaalsContact C-N 3.32Å; Q483-A485 PolarHBondContact O-N 3.3Å; Q483-K486 PolarHBondContact O-N 3.28Å; Q483-Q487 WeakPolarHBondContact O-CG 3.43Å; Q483-Q487 PolarHBondContact O-N 3.43Å
484L84.6Confident79.1Confident96 Ų96128.5 Ų128.550%0.50357%0.572SS.*Hα-helixtrans-59-41.4176.3-174.668.3000112.2K480 I481 K486 Q487 I488K480-L484 VanDerWaalsContact O-CB 3.23Å; K480-L484 WeakPolarHBondContact O-CB 3.47Å; K480-L484 PolarHBondContact O-N 2.98Å; I481-L484 PolarHBondContact O-N 3.41Å; L484-K486 PolarHBondContact O-N 3.2Å; L484-Q487 PolarHBondContact O-N 3.13Å; L484-I488 HydrophobicContact CG-CD1 4.21Å; L484-I488 WeakPolarHBondContact O-CG1 3.34Å; L484-I488 PolarHBondContact O-N 3.24Å
485A84.5Confident80.9Confident43 Ų43127.6 Ų127.636%0.35557%0.568SS.*Hα-helixtrans-63.2-37.717900000113.4I481 R482 Q483 I488 R489I481-A485 WeakPolarHBondContact O-CB 3.41Å; I481-A485 PolarHBondContact O-N 3.4Å; R482-A485 PolarHBondContact O-N 2.97Å; Q483-A485 VanDerWaalsContact C-N 3.32Å; Q483-A485 PolarHBondContact O-N 3.3Å; A485-I488 PolarHBondContact O-N 2.83Å; A485-R489 PolarHBondContact O-N 3.07Å
486K85Confident82.2Confident139 Ų139128.4 Ų128.460%0.60457%0.568SS**Hα-helixtrans-64.3-47.2174.3-91.1-171.1173.4-173.90111.5R482 Q483 L484 I488 R489 E490R482-K486 PolarHBondContact O-N 2.92Å; Q483-K486 PolarHBondContact O-N 3.28Å; L484-K486 PolarHBondContact O-N 3.2Å; K486-I488 VanDerWaalsContact C-N 3.27Å; K486-I488 PolarHBondContact O-N 2.58Å; K486-R489 PolarHBondContact O-N 3.27Å; K486-R489 VanDerWaalsContact O-N 3.11Å; K486-E490 PolarHBondContact O-N 3.08Å; K486-E490 VanDerWaalsContact O-N 3.16Å
487Q88Confident83.2Confident114 Ų114124.1 Ų124.153%0.53356%0.56SS.*Hα-helixtrans-56.6-41.7177.3-66.9174.1-1.300111.7Q483 L484 R489 K491Q483-Q487 WeakPolarHBondContact O-CG 3.43Å; Q483-Q487 PolarHBondContact O-N 3.43Å; L484-Q487 PolarHBondContact O-N 3.13Å; Q487-R489 PolarHBondContact O-N 2.98Å; Q487-K491 WeakPolarHBondContact O-CB 3.22Å; Q487-K491 PolarHBondContact O-N 3.27Å
488I86.3Confident83.9Confident105 Ų105120.9 Ų120.954%0.53855%0.548SS..Hα-helixtrans-59.6-44.8176.8-70.5164.7000111.6L484 A485 K486 K492L484-I488 HydrophobicContact CG-CD1 4.21Å; L484-I488 WeakPolarHBondContact O-CG1 3.34Å; L484-I488 PolarHBondContact O-N 3.24Å; A485-I488 PolarHBondContact O-N 2.83Å; K486-I488 VanDerWaalsContact C-N 3.27Å; K486-I488 PolarHBondContact O-N 2.58Å; I488-K492 WeakPolarHBondContact O-CB 3.36Å; I488-K492 PolarHBondContact O-N 3.45Å
489R85.1Confident84.8Confident194 Ų194118.1 Ų118.173%0.73255%0.548SS*.Hα-helixtrans-67.3-43.9-176.9-71.7-179.5-178.3-172.70.5112.5A485 K486 Q487 K492 K493A485-R489 PolarHBondContact O-N 3.07Å; K486-R489 PolarHBondContact O-N 3.27Å; K486-R489 VanDerWaalsContact O-N 3.11Å; Q487-R489 PolarHBondContact O-N 2.98Å; R489-K492 WeakPolarHBondContact O-CB 3.49Å; R489-K492 PolarHBondContact O-N 3.42Å; R489-K493 PolarHBondContact O-N 3.28Å
490E87.6Confident85.5Confident128 Ų128118.3 Ų118.360%0.59855%0.553SS**Hα-helixtrans-64.5-43.9177-72.7175.7175.200111.4K486 K492 K493 L494K486-E490 PolarHBondContact O-N 3.08Å; K486-E490 VanDerWaalsContact O-N 3.16Å; E490-K492 VanDerWaalsContact C-N 3.26Å; E490-K492 PolarHBondContact O-N 3.5Å; E490-K493 PolarHBondContact O-N 3.1Å; E490-K493 VanDerWaalsContact O-N 3.14Å; E490-L494 PolarHBondContact O-N 2.96Å; E490-L494 VanDerWaalsContact O-N 3.1Å
491K88.2Confident85.8Confident109 Ų109119.4 Ų119.447%0.47456%0.56SS.*Hα-helixtrans-61.2-36.1175.3-159.871.2172.9-172.70111.9Q487 L494 K495Q487-K491 WeakPolarHBondContact O-CB 3.22Å; Q487-K491 PolarHBondContact O-N 3.27Å; K491-L494 PolarHBondContact O-N 3.36Å; K491-K495 PolarHBondContact O-N 3.27Å
492K87.8Confident86Confident148 Ų148120.3 Ų120.364%0.64356%0.56SS**Hα-helixtrans-61.4-43.5174.4-170.3178-178.3178.90111.9I488 R489 E490 K495 I496I488-K492 WeakPolarHBondContact O-CB 3.36Å; I488-K492 PolarHBondContact O-N 3.45Å; R489-K492 WeakPolarHBondContact O-CB 3.49Å; R489-K492 PolarHBondContact O-N 3.42Å; E490-K492 VanDerWaalsContact C-N 3.26Å; E490-K492 PolarHBondContact O-N 3.5Å; K492-K495 PolarHBondContact O-N 3.02Å; K492-I496 WeakPolarHBondContact O-CG1 3.23Å; K492-I496 PolarHBondContact O-N 2.75Å
493K85.7Confident86.3Confident160 Ų160118.1 Ų118.170%0.69656%0.56SS**Hα-helixtrans-62.5-44.8175.9-75.5-175177.7-178.50112.3R489 E490 K495 I496 L497R489-K493 PolarHBondContact O-N 3.28Å; E490-K493 PolarHBondContact O-N 3.1Å; E490-K493 VanDerWaalsContact O-N 3.14Å; K493-K495 VanDerWaalsContact C-N 3.34Å; K493-K495 PolarHBondContact O-N 3.12Å; K493-I496 PolarHBondContact O-N 2.78Å; K493-I496 VanDerWaalsContact O-N 3.15Å; K493-L497 PolarHBondContact O-N 3.5Å
494L88.2Confident86.1Confident98 Ų98117.8 Ų117.851%0.51357%0.565SS.*Hα-helixtrans-60.5-40.9177.4-73.6170.2000112.4E490 K491 I496 L497 Q498E490-L494 PolarHBondContact O-N 2.96Å; E490-L494 VanDerWaalsContact O-N 3.1Å; K491-L494 PolarHBondContact O-N 3.36Å; L494-I496 VanDerWaalsContact C-N 3.28Å; L494-I496 PolarHBondContact O-N 2.83Å; L494-L497 PolarHBondContact O-N 3.48Å; L494-Q498 PolarHBondContact O-N 2.96Å; L494-Q498 VanDerWaalsContact O-N 3.12Å
495K88.3Confident85.8Confident141 Ų141123.4 Ų123.461%0.61359%0.589SS**Hα-helixtrans-60.4-35.6175.6-77.1-167.2176.1-172.50112.8K491 K492 K493 S499K491-K495 PolarHBondContact O-N 3.27Å; K492-K495 PolarHBondContact O-N 3.02Å; K493-K495 VanDerWaalsContact C-N 3.34Å; K493-K495 PolarHBondContact O-N 3.12Å; K495-S499 PolarHBondContact O-N 3.4Å; K495-S499 VanDerWaalsContact O-N 3.13Å
496I87Confident85.5Confident95 Ų95123.3 Ų123.349%0.48759%0.591SS.*Hα-helixtrans-68.2-41.9177.6-65.3167.3000111K492 K493 L494 S499 K500K492-I496 WeakPolarHBondContact O-CG1 3.23Å; K492-I496 PolarHBondContact O-N 2.75Å; K493-I496 PolarHBondContact O-N 2.78Å; K493-I496 VanDerWaalsContact O-N 3.15Å; L494-I496 VanDerWaalsContact C-N 3.28Å; L494-I496 PolarHBondContact O-N 2.83Å; I496-S499 WeakPolarHBondContact O-CB 3.39Å; I496-S499 PolarHBondContact O-N 3.13Å; I496-K500 PolarHBondContact O-N 3.19Å
497L87.1Confident85.3Confident117 Ų117123 Ų12361%0.61360%0.604SS**Hα-helixtrans-61.1-47.8176.1-83.1165.5000112.3K493 L494 S499 K500 E501K493-L497 PolarHBondContact O-N 3.5Å; L494-L497 PolarHBondContact O-N 3.48Å; L497-S499 PolarHBondContact O-N 3.36Å; L497-K500 PolarHBondContact O-N 3.33Å; L497-K500 VanDerWaalsContact O-N 3.13Å; L497-E501 PolarHBondContact O-N 3.43Å
498Q88.6Confident85Confident90 Ų90125.1 Ų125.142%0.42161%0.607SS.*Hα-helixtrans-61.5-31.2176.1-70.5-179.3-12.500113L494 K502L494-Q498 PolarHBondContact O-N 2.96Å; L494-Q498 VanDerWaalsContact O-N 3.12Å; Q498-K502 WeakPolarHBondContact O-CD 3.35Å; Q498-K502 WeakPolarHBondContact O-CG 3.37Å; Q498-K502 PolarHBondContact O-N 2.89Å
499S87.7Confident84.8Confident72 Ų72127.4 Ų127.450%0.50362%0.617SS.*Hα-helixtrans-65-41.3175.8-168.50000111.4K495 I496 L497 K502K495-S499 PolarHBondContact O-N 3.4Å; K495-S499 VanDerWaalsContact O-N 3.13Å; I496-S499 WeakPolarHBondContact O-CB 3.39Å; I496-S499 PolarHBondContact O-N 3.13Å; L497-S499 PolarHBondContact O-N 3.36Å; S499-K502 PolarHBondContact O-N 2.97Å
500K85.7Confident84.8Confident149 Ų149121.6 Ų121.665%0.64861%0.605SS**Hα-helixtrans-65-40.2176.4-68-175.8176.9-174.20112.3I496 L497 K502 N503I496-K500 PolarHBondContact O-N 3.19Å; L497-K500 PolarHBondContact O-N 3.33Å; L497-K500 VanDerWaalsContact O-N 3.13Å; K500-K502 VanDerWaalsContact C-N 3.29Å; K500-K502 PolarHBondContact O-N 3.41Å; K500-N503 PolarHBondContact O-N 3.26Å
501E83.8Confident84.5Confident156 Ų156126.3 Ų126.373%0.72962%0.617SS**Hα-helixtrans-61.6-34.6177.7-168.8-169.6174.400112.9L497 N503L497-E501 PolarHBondContact O-N 3.43Å; E501-N503 PolarHBondContact O-N 2.87Å
502K85Confident84.2Confident122 Ų122127.6 Ų127.653%0.5363%0.634SS.*THydrogen-bonded Turntrans-75.3-5.4-178.1-70.9168-174.5167.90114.3Q498 S499 K500 T504 R508Q498-K502 WeakPolarHBondContact O-CD 3.35Å; Q498-K502 WeakPolarHBondContact O-CG 3.37Å; Q498-K502 PolarHBondContact O-N 2.89Å; S499-K502 PolarHBondContact O-N 2.97Å; K500-K502 VanDerWaalsContact C-N 3.29Å; K500-K502 PolarHBondContact O-N 3.41Å; K502-T504 PolarHBondContact O-N 3.38Å; K502-T504 VanDerWaalsContact O-N 3.13Å; K502-R508 PolarHBondContact O-NE 2.72Å
503N85Confident83.7Confident110 Ų110123.5 Ų123.559%0.58863%0.628SS**  trans-82.184.6178.6-78.5-19.4000111.6K500 E501 R508K500-N503 PolarHBondContact O-N 3.26Å; E501-N503 PolarHBondContact O-N 2.87Å; N503-R508 PolarHBondContact OD1-NH2 3.36Å
504T78.1Confident83.3Confident88 Ų88123.6 Ų123.654%0.5463%0.628SS.*  trans-94.8152.3172.854.30000112.6K502 G506K502-T504 PolarHBondContact O-N 3.38Å; K502-T504 VanDerWaalsContact O-N 3.13Å; T504-G506 PolarHBondContact O-N 2.86Å
505Q78.7Confident82.8Confident214 Ų214127.9 Ų127.9100%164%0.643SS**SBendtrans-79.53.9178.5-66.7-178.1-3.700114.3
506G79.3Confident82.1Confident40 Ų40124.5 Ų124.541%0.41263%0.634SS.*SBendtrans-116.8172.4-178.600000113T504 R508T504-G506 PolarHBondContact O-N 2.86Å; G506-R508 PolarHBondContact O-N 3.37Å
507P81.1Confident81.6Confident133 Ų133126.1 Ų126.186%0.86464%0.639SS**PPolyproline II helixtrans-58.6124.2175.424.7-32.6000109.9M509P507-M509 PolarHBondContact O-N 3.26Å
508R81.1Confident80.7Confident159 Ų159124.1 Ų124.160%0.662%0.624SS**PPolyproline II helixtrans-73123.9177-67.2177.3-178.6157.32.5108.8K502 N503 G506K502-R508 PolarHBondContact O-NE 2.72Å; N503-R508 PolarHBondContact OD1-NH2 3.36Å; G506-R508 PolarHBondContact O-N 3.37Å
509M81.6Confident80.1Confident152 Ų152122 Ų12275%0.74962%0.622SS**PPolyproline II helixtrans-57.8130.2176.8-73.8-62.9-67.500110.4P507 A513P507-M509 PolarHBondContact O-N 3.26Å; M509-A513 HydrophobicContact CE-CB 3.83Å
510P85.3Confident79.6Confident73 Ų73123.3 Ų123.347%0.47462%0.623SS.*PPolyproline II helixtrans-66.2141.4176.129-34.4000109.3T512 A513P510-T512 PolarHBondContact O-N 3.47Å; P510-T512 VanDerWaalsContact O-N 3.08Å; P510-A513 HydrophobicContact CG-CB 4.15Å; P510-A513 PolarHBondContact O-N 3.28Å
511R81.4Confident79.1Confident226 Ų226118.6 Ų118.685%0.85360%0.604SS**THydrogen-bonded Turntrans-59.1-22.8179-73.6177.6167.9171.1-6.2113.1A513 K514R511-A513 VanDerWaalsContact C-N 3.27Å; R511-A513 PolarHBondContact O-N 3.33Å; R511-K514 PolarHBondContact O-N 3.34Å
512T81.4Confident78.7Confident136 Ų136112.3 Ų112.383%0.83458%0.575SS**THydrogen-bonded Turntrans-66.3-25.4175.951.90000113.4P510P510-T512 PolarHBondContact O-N 3.47Å; P510-T512 VanDerWaalsContact O-N 3.08Å
513A78.7Confident78.5Confident62 Ų62111.2 Ų111.251%0.51258%0.575SS.*THydrogen-bonded Turntrans-84.5-26.6179.600000113.2M509 P510 R511M509-A513 HydrophobicContact CE-CB 3.83Å; P510-A513 HydrophobicContact CG-CB 4.15Å; P510-A513 PolarHBondContact O-N 3.28Å; R511-A513 VanDerWaalsContact C-N 3.27Å; R511-A513 PolarHBondContact O-N 3.33Å
514K77.5Confident78.2Confident163 Ų163111.6 Ų111.671%0.70957%0.573SS**SBendtrans-87.3122.2-177.4-170.9179.1179.6-177.40110.2R511 V516R511-K514 PolarHBondContact O-N 3.34Å; K514-V516 PolarHBondContact O-N 3.4Å
515K76.6Confident78.3Confident188 Ų188110.3 Ų110.382%0.81756%0.562SS**  trans-70.2115.6167.5-76.4-179.7-177.1171.90109.1
516V73.7Confident78.4Confident70 Ų70105.8 Ų105.842%0.42454%0.535SS..  trans-74.6128.7176.3-178.20000108.9K514 L521K514-V516 PolarHBondContact O-N 3.4Å; V516-L521 HydrophobicContact CG1-CB 4.08Å; V516-L521 HydrophobicContact CG1-CD1 4.14Å
517Q75.4Confident78.4Confident129 Ų129107.6 Ų107.660%0.60354%0.542SS*.  trans-74.1137.2172.6-67.3-151.330.200109.8A519 D520 L521Q517-A519 VanDerWaalsContact C-N 3.27Å; Q517-A519 PolarHBondContact O-N 2.98Å; Q517-D520 HydrophobicContact CB-CB 4.44Å; Q517-D520 PolarHBondContact O-N 2.93Å; Q517-L521 PolarHBondContact O-N 3.07Å
518R69.5Low78.4Confident75 Ų75107.1 Ų107.128%0.28353%0.532SS..Hα-helixtrans-55.9-46173.9178.3-171.8159.2146.611.6110.4D520 L521 E522 K535R518-D520 VanDerWaalsContact C-N 3.33Å; R518-D520 PolarHBondContact O-N 3.39Å; R518-L521 PolarHBondContact O-N 3.3Å; R518-E522 IonicContact CZ-OE2 3.28Å; R518-E522 IonicContact NE-OE2 2.84Å; R518-E522 PolarHBondContact NE-OE2 3.13Å; R518-E522 IonicContact NH2-OE2 2.7Å; R518-E522 PolarHBondContact NH2-OE2 3.14Å; R518-E522 WeakPolarHBondContact O-CA 3.4Å; R518-E522 WeakPolarHBondContact O-CB 3.28Å; R518-E522 PolarHBondContact O-N 2.85Å; R518-K535 VanDerWaalsContact NH2-CG 3.32Å
519A75.7Confident77.9Confident46 Ų46102.8 Ų102.838%0.3854%0.536SS..Hα-helixtrans-58.7-42-176.400000112.8Q517 E522 N523Q517-A519 VanDerWaalsContact C-N 3.27Å; Q517-A519 PolarHBondContact O-N 2.98Å; A519-E522 PolarHBondContact O-N 3.49Å; A519-N523 VanDerWaalsContact O-CB 3.3Å; A519-N523 WeakPolarHBondContact O-CB 3.3Å; A519-N523 PolarHBondContact O-N 3.42Å; A519-N523 PolarHBondContact O-ND2 3.35Å
520D76.2Confident77.4Confident98 Ų9898.8 Ų98.852%0.52452%0.52SS..Hα-helixtrans-68.1-44.7179.9-60.5-24.6000111.5Q517 R518 N523 E524Q517-D520 HydrophobicContact CB-CB 4.44Å; Q517-D520 PolarHBondContact O-N 2.93Å; R518-D520 VanDerWaalsContact C-N 3.33Å; R518-D520 PolarHBondContact O-N 3.39Å; D520-N523 PolarHBondContact O-N 2.89Å; D520-E524 PolarHBondContact O-N 3.03Å
521L75.6Confident76.6Confident50 Ų50100 Ų10026%0.26252%0.522SS..Hα-helixtrans-68.1-38.3176.6-162.284.4000111V516 Q517 R518 E524 M525 Y540V516-L521 HydrophobicContact CG1-CB 4.08Å; V516-L521 HydrophobicContact CG1-CD1 4.14Å; Q517-L521 PolarHBondContact O-N 3.07Å; R518-L521 PolarHBondContact O-N 3.3Å; L521-E524 PolarHBondContact O-N 3.44Å; L521-M525 HydrophobicContact CD1-CE 4.35Å; L521-M525 HydrophobicContact CG-CE 4.41Å; L521-M525 HydrophobicContact CG-CG 4.27Å; L521-M525 WeakPolarHBondContact O-CB 3.34Å; L521-M525 WeakPolarHBondContact O-CG 3.22Å; L521-M525 PolarHBondContact O-N 3.36Å; L521-Y540 HydrophobicContact CD2-CE2 4.37Å
522E75.2Confident75.7Confident24 Ų2490.5 Ų90.511%0.11249%0.488CS..Hα-helixtrans-63.3-43176.2177.9170168.400110.4R518 A519 M525 R526 M532R518-E522 IonicContact CZ-OE2 3.28Å; R518-E522 IonicContact NE-OE2 2.84Å; R518-E522 PolarHBondContact NE-OE2 3.13Å; R518-E522 IonicContact NH2-OE2 2.7Å; R518-E522 PolarHBondContact NH2-OE2 3.14Å; R518-E522 WeakPolarHBondContact O-CA 3.4Å; R518-E522 WeakPolarHBondContact O-CB 3.28Å; R518-E522 PolarHBondContact O-N 2.85Å; A519-E522 PolarHBondContact O-N 3.49Å; E522-M525 PolarHBondContact O-N 2.88Å; E522-R526 HydrophobicContact CG-CG 4.39Å; E522-R526 WeakPolarHBondContact O-CA 3.47Å; E522-R526 WeakPolarHBondContact O-CB 3.44Å; E522-R526 VanDerWaalsContact O-CG 3.23Å; E522-R526 WeakPolarHBondContact O-CG 3.49Å; E522-R526 PolarHBondContact O-N 3.45Å; E522-R526 IonicContact OE1-CZ 2.87Å; E522-R526 IonicContact OE1-NE 2.77Å; E522-R526 IonicContact OE1-NH2 3.01Å; E522-M532 HydrophobicContact CG-CB 3.89Å; E522-M532 HydrophobicContact CG-CG 4.48Å
523N80.6Confident74.7Confident99 Ų9988 Ų8853%0.52947%0.47SS..Hα-helixtrans-65.9-42.2175.8-72.1-19.3000111.8A519 D520 S527A519-N523 VanDerWaalsContact O-CB 3.3Å; A519-N523 WeakPolarHBondContact O-CB 3.3Å; A519-N523 PolarHBondContact O-N 3.42Å; A519-N523 PolarHBondContact O-ND2 3.35Å; D520-N523 PolarHBondContact O-N 2.89Å; N523-S527 WeakPolarHBondContact O-CB 3.32Å; N523-S527 PolarHBondContact O-N 2.86Å
524E80.4Confident73.7Confident119 Ų11990.4 Ų90.456%0.55647%0.474SS*.Hα-helixtrans-66.4-43.8175.4-79.5-161156.900112.2D520 L521 S527 L528D520-E524 PolarHBondContact O-N 3.03Å; L521-E524 PolarHBondContact O-N 3.44Å; E524-S527 WeakPolarHBondContact O-CB 3.49Å; E524-S527 PolarHBondContact O-N 3.49Å; E524-S527 PolarHBondContact O-OG 3.5Å; E524-L528 WeakPolarHBondContact O-CG 3.3Å; E524-L528 PolarHBondContact O-N 2.81Å; E524-L528 VanDerWaalsContact O-N 3.14Å
525M79Confident72.6Confident61 Ų6187.7 Ų87.730%0.346%0.462SS..Hα-helixtrans-68-41.7178.8-70.5-61.6174.300111.5L521 E522 S527 L528 G529 V530 M532L521-M525 HydrophobicContact CD1-CE 4.35Å; L521-M525 HydrophobicContact CG-CE 4.41Å; L521-M525 HydrophobicContact CG-CG 4.27Å; L521-M525 WeakPolarHBondContact O-CB 3.34Å; L521-M525 WeakPolarHBondContact O-CG 3.22Å; L521-M525 PolarHBondContact O-N 3.36Å; E522-M525 PolarHBondContact O-N 2.88Å; M525-S527 VanDerWaalsContact C-N 3.28Å; M525-S527 PolarHBondContact O-N 3.32Å; M525-L528 CarbonylContact O-C 3.56Å; M525-L528 WeakPolarHBondContact O-CA 3.42Å; M525-L528 WeakPolarHBondContact O-CB 3.27Å; M525-L528 PolarHBondContact O-N 2.94Å; M525-G529 PolarHBondContact O-N 2.89Å; M525-V530 CarbonylContact C-O 3.6Å; M525-V530 HydrophobicContact CB-CB 4.04Å; M525-V530 HydrophobicContact CB-CG1 4.32Å; M525-V530 WeakPolarHBondContact O-CB 3.34Å; M525-V530 PolarHBondContact O-N 3.34Å; M525-V530 HydrophobicContact SD-CB 4.41Å; M525-V530 HydrophobicContact SD-CG2 4.34Å; M525-M532 HydrophobicContact CB-CG 3.54Å; M525-M532 HydrophobicContact CB-SD 3.96Å; M525-M532 HydrophobicContact CG-CG 4.42Å; M525-M532 HydrophobicContact CG-SD 4.23Å
526R81.2Confident71.7Confident118 Ų11883.1 Ų83.145%0.44545%0.446SS..Hα-helixtrans-58.3-40.8170.4-82.6-180164.8-165.7-7.7111.4E522 L528 G529 D533E522-R526 HydrophobicContact CG-CG 4.39Å; E522-R526 WeakPolarHBondContact O-CA 3.47Å; E522-R526 WeakPolarHBondContact O-CB 3.44Å; E522-R526 VanDerWaalsContact O-CG 3.23Å; E522-R526 WeakPolarHBondContact O-CG 3.49Å; E522-R526 PolarHBondContact O-N 3.45Å; E522-R526 IonicContact OE1-CZ 2.87Å; E522-R526 IonicContact OE1-NE 2.77Å; E522-R526 IonicContact OE1-NH2 3.01Å; R526-L528 PolarHBondContact O-N 3.03Å; R526-G529 PolarHBondContact O-N 3.5Å; R526-D533 IonicContact CZ-OD1 3.45Å; R526-D533 IonicContact NE-OD1 2.75Å; R526-D533 IonicContact NH2-OD1 3.79Å; R526-D533 PolarHBondContact NH2-OD1 3.13Å
527S80.1Confident71Confident78 Ų7886.3 Ų86.355%0.54546%0.461SS..Hα-helixtrans-65.6-23.1176.283.70000113.6N523 E524 M525 G529N523-S527 WeakPolarHBondContact O-CB 3.32Å; N523-S527 PolarHBondContact O-N 2.86Å; E524-S527 WeakPolarHBondContact O-CB 3.49Å; E524-S527 PolarHBondContact O-N 3.49Å; E524-S527 PolarHBondContact O-OG 3.5Å; M525-S527 VanDerWaalsContact C-N 3.28Å; M525-S527 PolarHBondContact O-N 3.32Å; S527-G529 VanDerWaalsContact C-N 3.34Å
528L79.8Confident70.1Confident124 Ų12481.8 Ų81.865%0.64945%0.446SS*.THydrogen-bonded Turntrans-91.73.3176.2-68.4168.1000112.7E524 M525 R526 V530E524-L528 WeakPolarHBondContact O-CG 3.3Å; E524-L528 PolarHBondContact O-N 2.81Å; E524-L528 VanDerWaalsContact O-N 3.14Å; M525-L528 CarbonylContact O-C 3.56Å; M525-L528 WeakPolarHBondContact O-CA 3.42Å; M525-L528 WeakPolarHBondContact O-CB 3.27Å; M525-L528 PolarHBondContact O-N 2.94Å; R526-L528 PolarHBondContact O-N 3.03Å; L528-V530 PolarHBondContact O-N 3.4Å
529G71.5Confident69.4Low67 Ų6785 Ų8569%0.69146%0.464SS*.THydrogen-bonded Turntrans72.213-177.200000113.4M525 R526 S527 D531M525-G529 PolarHBondContact O-N 2.89Å; R526-G529 PolarHBondContact O-N 3.5Å; S527-G529 VanDerWaalsContact C-N 3.34Å; G529-D531 PolarHBondContact O-N 3.49Å
530V71.6Confident68.4Low68 Ų6886.5 Ų86.541%0.41246%0.46SS..  trans-78.2112.3167176.70000106.1M525 L528 M532M525-V530 CarbonylContact C-O 3.6Å; M525-V530 HydrophobicContact CB-CB 4.04Å; M525-V530 HydrophobicContact CB-CG1 4.32Å; M525-V530 WeakPolarHBondContact O-CB 3.34Å; M525-V530 PolarHBondContact O-N 3.34Å; M525-V530 HydrophobicContact SD-CB 4.41Å; M525-V530 HydrophobicContact SD-CG2 4.34Å; L528-V530 PolarHBondContact O-N 3.4Å; V530-M532 HydrophobicContact CG1-CG 4.5Å; V530-M532 HydrophobicContact CG1-SD 4.27Å; V530-M532 PolarHBondContact O-N 3.44Å; V530-M532 VanDerWaalsContact O-N 3.08Å
531D67.4Low67.3Low98 Ų9882 Ų8252%0.52444%0.436SS..  trans-67.7111.8175.8-162.61.6000109.1G529 D533G529-D531 PolarHBondContact O-N 3.49Å; D531-D533 WeakPolarHBondContact OD1-CA 3.3Å; D531-D533 WeakPolarHBondContact OD1-CB 3.32Å; D531-D533 PolarHBondContact OD1-N 3.34Å; D531-D533 VanDerWaalsContact OD1-OD2 3.1Å
532M62.7Low66.2Low28 Ų2883.5 Ų83.514%0.13845%0.448CS..  trans-96.110.5172.8-67.1-70.9-65.700110.4E522 M525 V530 D534E522-M532 HydrophobicContact CG-CB 3.89Å; E522-M532 HydrophobicContact CG-CG 4.48Å; M525-M532 HydrophobicContact CB-CG 3.54Å; M525-M532 HydrophobicContact CB-SD 3.96Å; M525-M532 HydrophobicContact CG-CG 4.42Å; M525-M532 HydrophobicContact CG-SD 4.23Å; V530-M532 HydrophobicContact CG1-CG 4.5Å; V530-M532 HydrophobicContact CG1-SD 4.27Å; V530-M532 PolarHBondContact O-N 3.44Å; V530-M532 VanDerWaalsContact O-N 3.08Å; M532-D534 PolarHBondContact O-N 2.94Å
533D60.2Low65Low84 Ų8489.7 Ų89.745%0.44947%0.47SS..  trans-69.9-15169.8-57.6-23.3000111.1R526 D531 K535R526-D533 IonicContact CZ-OD1 3.45Å; R526-D533 IonicContact NE-OD1 2.75Å; R526-D533 IonicContact NH2-OD1 3.79Å; R526-D533 PolarHBondContact NH2-OD1 3.13Å; D531-D533 WeakPolarHBondContact OD1-CA 3.3Å; D531-D533 WeakPolarHBondContact OD1-CB 3.32Å; D531-D533 PolarHBondContact OD1-N 3.34Å; D531-D533 VanDerWaalsContact OD1-OD2 3.1Å; D533-K535 WeakPolarHBondContact O-CG 3.27Å; D533-K535 PolarHBondContact O-N 3.19Å
534D58.4Low63.6Low111 Ų11186.8 Ų86.859%0.59446%0.46SS*.  trans-73.865.5160.1-88-9000111.1M532 D536M532-D534 PolarHBondContact O-N 2.94Å; D534-D536 PolarHBondContact O-N 3.25Å
535K54.8Low62.3Low106 Ų10688.5 Ų88.546%0.46146%0.461SS..THydrogen-bonded Turntrans-63.5-4.6174.3-53.7-159.7175.5167.50112.6R518 D533 A541R518-K535 VanDerWaalsContact NH2-CG 3.32Å; D533-K535 WeakPolarHBondContact O-CG 3.27Å; D533-K535 PolarHBondContact O-N 3.19Å; K535-A541 WeakPolarHBondContact O-CB 3.34Å
536D56.3Low61.1Low92 Ų9296.2 Ų96.249%0.49249%0.487SS..THydrogen-bonded Turntrans-103.9-18-169-80.1-42.5000115.6D534 A541 R545D534-D536 PolarHBondContact O-N 3.25Å; D536-A541 VanDerWaalsContact O-CB 3.32Å; D536-A541 WeakPolarHBondContact O-CB 3.47Å; D536-R545 IonicContact OD1-CZ 2.91Å; D536-R545 IonicContact OD1-NE 3.26Å; D536-R545 IonicContact OD1-NH2 2.96Å; D536-R545 PolarHBondContact OD1-NH2 3.43Å; D536-R545 IonicContact OD2-NH2 2.76Å
537N59.3Low59.8Low138 Ų13895 Ų9574%0.73850%0.496SS*.THydrogen-bonded Turntrans-116-14.7-178.5-76.8-22.3000116
538A55.7Low58.3Low34 Ų34100.2 Ų100.228%0.28150%0.504SS..SBendtrans-63.5150.6175.500000111.4Y540 A541 V542A538-Y540 CarbonylContact O-C 3.56Å; A538-Y540 PolarHBondContact O-N 3.33Å; A538-A541 WeakPolarHBondContact O-CA 3.22Å; A538-A541 WeakPolarHBondContact O-CB 3.47Å; A538-A541 PolarHBondContact O-N 2.92Å; A538-V542 PolarHBondContact O-N 3.1Å
539H55.8Low57.1Low142 Ų14297.8 Ų97.866%0.65750%0.497SS*.Hα-helixtrans-53.8-18.7175.5-169.5-69.3000113.2R543H539-R543 PolarHBondContact O-N 3.04Å
540Y54.4Low56.3Low78 Ų78100.7 Ų100.731%0.30650%0.501SS..Hα-helixtrans-80.7-28.2172.3-58-77.4000114L521 A538 R543 A544L521-Y540 HydrophobicContact CD2-CE2 4.37Å; A538-Y540 CarbonylContact O-C 3.56Å; A538-Y540 PolarHBondContact O-N 3.33Å; Y540-R543 CarbonylContact O-C 3.49Å; Y540-R543 PolarHBondContact O-N 2.95Å; Y540-A544 PolarHBondContact O-N 3.5Å
541A52.8Low55.2Low2 Ų2101.3 Ų101.32%0.01751%0.505CS..Hα-helixtrans-65.1-39.5166.600000111.7K535 D536 A538 R543 A544 R545K535-A541 WeakPolarHBondContact O-CB 3.34Å; D536-A541 VanDerWaalsContact O-CB 3.32Å; D536-A541 WeakPolarHBondContact O-CB 3.47Å; A538-A541 WeakPolarHBondContact O-CA 3.22Å; A538-A541 WeakPolarHBondContact O-CB 3.47Å; A538-A541 PolarHBondContact O-N 2.92Å; A541-R543 PolarHBondContact O-N 3.25Å; A541-A544 PolarHBondContact O-N 3.43Å; A541-A544 VanDerWaalsContact O-N 3.16Å; A541-R545 WeakPolarHBondContact O-CB 3.26Å; A541-R545 WeakPolarHBondContact O-CG 3.44Å; A541-R545 PolarHBondContact O-N 2.96Å
542V53.3Low54.2Low83 Ų83107 Ų10750%0.50352%0.52SS..Hα-helixtrans-64.6-33.6173.1-172.70000110.4A538 R546A538-V542 PolarHBondContact O-N 3.1Å; V542-R546 WeakPolarHBondContact O-CB 3.28Å; V542-R546 PolarHBondContact O-N 2.94Å
543R49.5Very low53.6Low153 Ų153115.9 Ų115.958%0.57756%0.557SS**Hα-helixtrans-73.6-38.9170.6-108.9-177.6179.7167.13.9112.7H539 Y540 A541 R545 R546 S547H539-R543 PolarHBondContact O-N 3.04Å; Y540-R543 CarbonylContact O-C 3.49Å; Y540-R543 PolarHBondContact O-N 2.95Å; A541-R543 PolarHBondContact O-N 3.25Å; R543-R545 VanDerWaalsContact C-N 3.27Å; R543-R545 PolarHBondContact O-N 3.5Å; R543-R546 PolarHBondContact O-N 3.21Å; R543-S547 WeakPolarHBondContact O-CA 3.33Å; R543-S547 WeakPolarHBondContact O-CB 3.35Å; R543-S547 PolarHBondContact O-N 3.48Å; R543-S547 PolarHBondContact O-OG 3.01Å
544A50.6Low53.2Low38 Ų38123.3 Ų123.331%0.31458%0.579SS.*Hα-helixtrans-65.1-31.217500000112.1Y540 A541 R548Y540-A544 PolarHBondContact O-N 3.5Å; A541-A544 PolarHBondContact O-N 3.43Å; A541-A544 VanDerWaalsContact O-N 3.16Å; A544-R548 WeakPolarHBondContact O-CB 3.47Å; A544-R548 VanDerWaalsContact O-CD 3.22Å; A544-R548 WeakPolarHBondContact O-CD 3.37Å; A544-R548 WeakPolarHBondContact O-CG 3.36Å; A544-R548 PolarHBondContact O-N 3.1Å; A544-R548 VanDerWaalsContact O-N 3.16Å
545R54Low52.5Low155 Ų155126.3 Ų126.359%0.58559%0.587SS**Hα-helixtrans-81.3-24.4174.5-68.1178.7179.7-163.4-1.8113.8D536 A541 R543D536-R545 IonicContact OD1-CZ 2.91Å; D536-R545 IonicContact OD1-NE 3.26Å; D536-R545 IonicContact OD1-NH2 2.96Å; D536-R545 PolarHBondContact OD1-NH2 3.43Å; D536-R545 IonicContact OD2-NH2 2.76Å; A541-R545 WeakPolarHBondContact O-CB 3.26Å; A541-R545 WeakPolarHBondContact O-CG 3.44Å; A541-R545 PolarHBondContact O-N 2.96Å; R543-R545 VanDerWaalsContact C-N 3.27Å; R543-R545 PolarHBondContact O-N 3.5Å
546R53Low51.9Low224 Ų224131.5 Ų131.585%0.84560%0.603SS**Hα-helixtrans-93.6-24175-160.6-179.5-166.3-174.75114.6V542 R543V542-R546 WeakPolarHBondContact O-CB 3.28Å; V542-R546 PolarHBondContact O-N 2.94Å; R543-R546 PolarHBondContact O-N 3.21Å
547S54.2Low51.4Low92 Ų92134.3 Ų134.364%0.64361%0.614SS**Hα-helixtrans-99.6-13.3179.265.20000113.4R543 S549R543-S547 WeakPolarHBondContact O-CA 3.33Å; R543-S547 WeakPolarHBondContact O-CB 3.35Å; R543-S547 PolarHBondContact O-N 3.48Å; R543-S547 PolarHBondContact O-OG 3.01Å; S547-S549 PolarHBondContact O-N 2.65Å; S547-S549 VanDerWaalsContact O-N 3.11Å
548R49.6Very low50.6Low188 Ų188137.8 Ų137.871%0.70963%0.625SS**SBendtrans-65.5106.3153.6-81.1171.2-179.5173.1-0.2106.8A544 V550A544-R548 WeakPolarHBondContact O-CB 3.47Å; A544-R548 VanDerWaalsContact O-CD 3.22Å; A544-R548 WeakPolarHBondContact O-CD 3.37Å; A544-R548 WeakPolarHBondContact O-CG 3.36Å; A544-R548 PolarHBondContact O-N 3.1Å; A544-R548 VanDerWaalsContact O-N 3.16Å; R548-V550 PolarHBondContact O-N 3.29Å; R548-V550 VanDerWaalsContact O-N 3.13Å
549S54.6Low49.7Very low72 Ų72139.3 Ų139.350%0.50363%0.634SS.*  trans-48.6123.3169.852.10000108.7S547 T551S547-S549 PolarHBondContact O-N 2.65Å; S547-S549 VanDerWaalsContact O-N 3.11Å; S549-T551 PolarHBondContact O-N 3.39Å
550V54.2Low49.1Very low129 Ų129136.7 Ų136.778%0.78263%0.628SS**  trans-51.2115.3159.3174.90000104.8R548 R552R548-V550 PolarHBondContact O-N 3.29Å; R548-V550 VanDerWaalsContact O-N 3.13Å; V550-R552 PolarHBondContact O-N 3.01Å
551T48.5Very low48.5Very low80 Ų80137.9 Ų137.949%0.49165%0.645SS.*  trans-69.367.2-179.340.40000108.8S549S549-T551 PolarHBondContact O-N 3.39Å
552R45.7Very low47.8Very low219 Ų219140.3 Ų140.383%0.82666%0.661SS**  trans-61.3127.7157-98.6178.5153.7178.1-6.4106.6V550 R554V550-R552 PolarHBondContact O-N 3.01Å; R552-R554 PolarHBondContact O-N 3.06Å
553K50.6Low47.1Very low213 Ų213141.1 Ų141.193%0.92667%0.67SS**SBendtrans-44.751.8-170.8-87.4-178.4165.6-178.30117.7
554R52.4Low46.6Very low241 Ų241137.9 Ų137.991%0.90967%0.671SS**SBendtrans-142.310.3175.6-96.4-173.2175.5164.20.4115R552R552-R554 PolarHBondContact O-N 3.06Å
555K44.1Very low45.9Very low174 Ų174141.3 Ų141.376%0.75768%0.683SS**SBendtrans-139.55.7-176.5-70.3-170.8176.8-179.40117
556R41.8Very low45.2Very low214 Ų214136.7 Ų136.781%0.80868%0.678SS**  trans-150.992.8176.6-73.5-176177.6170.3-6109.7
557E45.7Very low44.9Very low151 Ų151135.8 Ų135.871%0.70667%0.674SS**  trans-139.6133.4159.1-87.6177.3172.400103.3S559E557-S559 PolarHBondContact O-N 3.43Å
558E41.4Very low44.2Very low211 Ų211133.3 Ų133.399%0.98666%0.657SS**SBendtrans-69.514.8-178.2-127.6169-164.500113.5
559S38.1Very low43.8Very low66 Ų66136 Ų13646%0.46267%0.667SS.*SBendtrans-168.773.9-137.943.60000104.5E557E557-S559 PolarHBondContact O-N 3.43Å
560V43.2Very low43.5Very low87 Ų87134.2 Ų134.253%0.52766%0.655SS.*  trans79.6127.3141.9-176.50000107.2P562 S563V560-P562 VanDerWaalsContact C-N 3.34Å; V560-P562 VanDerWaalsContact O-CD 3.26Å; V560-P562 WeakPolarHBondContact O-CD 3.48Å; V560-S563 VanDerWaalsContact CG1-OG 3.27Å; V560-S563 WeakPolarHBondContact CG1-OG 3.23Å
561P40.6Very low43.1Very low103 Ų103138.8 Ų138.867%0.66966%0.658SS**SBend-62.4138.9109.1-17.5-9.2000101.7S563P561-S563 PolarHBondContact O-N 3.48Å
562P37.9Very low42.9Very low53 Ų53140 Ų14034%0.34467%0.67SS.*  30.665.893.1-22.80.9000113.3V560 S564 I565 A566V560-P562 VanDerWaalsContact C-N 3.34Å; V560-P562 VanDerWaalsContact O-CD 3.26Å; V560-P562 WeakPolarHBondContact O-CD 3.48Å; P562-S564 WeakPolarHBondContact CA-OG 3.45Å; P562-S564 VanDerWaalsContact CB-C 3.45Å; P562-S564 WeakPolarHBondContact CB-OG 3.35Å; P562-S564 WeakPolarHBondContact CG-OG 3.35Å; P562-S564 PolarHBondContact O-N 3.43Å; P562-I565 PolarHBondContact O-N 3.13Å; P562-A566 PolarHBondContact O-N 3.47Å
563S39.4Very low42.7Very low100 Ų100134.2 Ų134.270%0.69966%0.662SS**THydrogen-bonded Turn-37.430.4103.651.10000113.5V560 P561V560-S563 VanDerWaalsContact CG1-OG 3.27Å; V560-S563 WeakPolarHBondContact CG1-OG 3.23Å; P561-S563 PolarHBondContact O-N 3.48Å
564S39.7Very low42.9Very low85 Ų85130.3 Ų130.359%0.59466%0.661SS**THydrogen-bonded Turntrans-156.94.4-17665.80000111.7P562P562-S564 WeakPolarHBondContact CA-OG 3.45Å; P562-S564 VanDerWaalsContact CB-C 3.45Å; P562-S564 WeakPolarHBondContact CB-OG 3.35Å; P562-S564 WeakPolarHBondContact CG-OG 3.35Å; P562-S564 PolarHBondContact O-N 3.43Å
565I35.8Very low43.4Very low110 Ų110126.8 Ų126.856%0.56465%0.653SS**THydrogen-bonded Turntrans-1051136.8-75.8-173.3000110.6P562 R567 S568P562-I565 PolarHBondContact O-N 3.13Å; I565-R567 VanDerWaalsContact C-N 3.32Å; I565-R567 PolarHBondContact O-N 3.29Å; I565-S568 WeakPolarHBondContact CB-OG 3.34Å; I565-S568 WeakPolarHBondContact CD1-OG 3.4Å; I565-S568 VanDerWaalsContact CG1-OG 3.26Å; I565-S568 WeakPolarHBondContact CG1-OG 3.44Å; I565-S568 WeakPolarHBondContact CG2-OG 3.44Å; I565-S568 PolarHBondContact O-N 3.04Å
566A39.6Very low44.4Very low58 Ų58123.8 Ų123.848%0.47965%0.649SS.*THydrogen-bonded Turntrans-45.9109.7141.300000106.1P562P562-A566 PolarHBondContact O-N 3.47Å
567R45.3Very low45.8Very low205 Ų205115.6 Ų115.677%0.77462%0.624SS**THydrogen-bonded Turntrans83.626.6-174.4-45.1158.8165.6171.2-7.2118.5I565 S570I565-R567 VanDerWaalsContact C-N 3.32Å; I565-R567 PolarHBondContact O-N 3.29Å; R567-S570 VanDerWaalsContact C-OG 3.24Å; R567-S570 VanDerWaalsContact CA-OG 3.28Å; R567-S570 WeakPolarHBondContact CA-OG 3.26Å; R567-S570 WeakPolarHBondContact O-CA 3.19Å; R567-S570 WeakPolarHBondContact O-CB 3.38Å; R567-S570 PolarHBondContact O-N 2.97Å; R567-S570 PolarHBondContact O-OG 3.47Å; R567-S570 VanDerWaalsContact O-OG 3.04Å
568S40.7Very low47.5Very low41 Ų41119.7 Ų119.729%0.28763%0.632SS.*SBendtrans-106.43.1176.397.30000119.3I565I565-S568 WeakPolarHBondContact CB-OG 3.34Å; I565-S568 WeakPolarHBondContact CD1-OG 3.4Å; I565-S568 VanDerWaalsContact CG1-OG 3.26Å; I565-S568 WeakPolarHBondContact CG1-OG 3.44Å; I565-S568 WeakPolarHBondContact CG2-OG 3.44Å; I565-S568 PolarHBondContact O-N 3.04Å
569R40.1Very low49.3Very low244 Ų244113.9 Ų113.992%0.92161%0.608SS**THydrogen-bonded Turntrans-77.61.6144.1-95.9-175172.4167.9-2112.2
570S47.9Very low51.3Low35 Ų35113.7 Ų113.725%0.24560%0.604CS.*THydrogen-bonded Turntrans-101.710.5177.3-23.10000113.8R567R567-S570 VanDerWaalsContact C-OG 3.24Å; R567-S570 VanDerWaalsContact CA-OG 3.28Å; R567-S570 WeakPolarHBondContact CA-OG 3.26Å; R567-S570 WeakPolarHBondContact O-CA 3.19Å; R567-S570 WeakPolarHBondContact O-CB 3.38Å; R567-S570 PolarHBondContact O-N 2.97Å; R567-S570 PolarHBondContact O-OG 3.47Å; R567-S570 VanDerWaalsContact O-OG 3.04Å
571R46.1Very low53Low225 Ų225113.2 Ų113.285%0.84961%0.605SS**SBendtrans-136.49.4-177.6-78.7-171.1168.6176.6-5.1116.2
572S44Very low55Low105 Ų105111.7 Ų111.773%0.73461%0.608SS**SBendtrans-120.818.4169.246.20000113.8
573C43.3Very low57.3Low98 Ų98112.1 Ų112.166%0.66261%0.607SS**SBendtrans-153.7139.5157.6-106.90000105.1K575C573-K575 PolarHBondContact O-N 3.16Å
574S53.1Low59Low130 Ų130117 Ų11791%0.90961%0.61SS**SBendtrans-65.425.1-17250.20000116.7
575K64Low60.7Low168 Ų168116 Ų11673%0.7360%0.598SS**  trans-125.7134.3-168.3-68.9-179177178.20113.5C573C573-K575 PolarHBondContact O-N 3.16Å
576T65.6Low62.9Low110 Ų110116.5 Ų116.568%0.67561%0.606SS**  trans-62.713716744.90000111.2R578T576-R578 PolarHBondContact O-N 3.43Å
577P70.5Confident65.1Low43 Ų43122.3 Ų122.328%0.27962%0.62SS.*  trans-59.8133.5176.5-23.233.3000112.8D579 V580 S581P577-D579 VanDerWaalsContact CB-OD1 3.22Å; P577-D579 WeakPolarHBondContact CB-OD1 3.02Å; P577-D579 PolarHBondContact O-N 3.35Å; P577-D579 VanDerWaalsContact O-N 3.14Å; P577-V580 HydrophobicContact CB-CG2 4.28Å; P577-V580 PolarHBondContact O-N 3.33Å; P577-S581 PolarHBondContact O-N 3.46Å
578R82.1Confident66.9Low236 Ų236116.7 Ų116.789%0.89160%0.604SS**THydrogen-bonded Turntrans-57-27.5-177.366.3177.9-178.3174.21.3115.2T576 V580T576-R578 PolarHBondContact O-N 3.43Å; R578-V580 PolarHBondContact O-N 3.43Å
579D79Confident69Low89 Ų89115.7 Ų115.748%0.47660%0.596SS.*THydrogen-bonded Turntrans-81.7-4.718062.8-46.8000113.1P577P577-D579 VanDerWaalsContact CB-OD1 3.22Å; P577-D579 WeakPolarHBondContact CB-OD1 3.02Å; P577-D579 PolarHBondContact O-N 3.35Å; P577-D579 VanDerWaalsContact O-N 3.14Å
580V79.1Confident71.3Confident62 Ų62111.5 Ų111.538%0.37658%0.584SS.*THydrogen-bonded Turntrans-120.4-33.8-177.6-174.50000111.7P577 R578 G582 L583 V589P577-V580 HydrophobicContact CB-CG2 4.28Å; P577-V580 PolarHBondContact O-N 3.33Å; R578-V580 PolarHBondContact O-N 3.43Å; V580-G582 PolarHBondContact O-N 2.9Å; V580-L583 PolarHBondContact O-N 3.4Å; V580-V589 HydrophobicContact CG1-CG2 4.37Å
581S79.8Confident73.2Confident78 Ų78116.5 Ų116.555%0.54560%0.602SS.*THydrogen-bonded Turntrans-60.6-17.6-172.157.50000115.8P577P577-S581 PolarHBondContact O-N 3.46Å
582G82.7Confident75.2Confident71 Ų71107.4 Ų107.473%0.73258%0.575SS**THydrogen-bonded Turntrans-105.49.7-178.900000115.6V580V580-G582 PolarHBondContact O-N 2.9Å
583L84.5Confident77.3Confident61 Ų61107.5 Ų107.532%0.31956%0.562SS.*  trans-126.2134.2-174.1-63.8172.8000110.8V580 M588 V589 A592V580-L583 PolarHBondContact O-N 3.4Å; L583-M588 HydrophobicContact CB-CB 4.32Å; L583-M588 HydrophobicContact CD2-CB 4.37Å; L583-V589 HydrophobicContact CB-CG2 3.79Å; L583-V589 HydrophobicContact CD1-CB 4.31Å; L583-V589 HydrophobicContact CD1-CG2 3.89Å; L583-V589 HydrophobicContact CG-CG2 4.49Å; L583-A592 HydrophobicContact CD1-CB 3.84Å
584R76.2Confident79.5Confident202 Ų202106.2 Ų106.276%0.76255%0.551SS**SBendtrans-61-58-174.5-170.7-174.572.5-167.72.4113.2M588R584-M588 HydrophobicContact CB-SD 4.11Å
585D74.9Confident81.3Confident64 Ų64105.4 Ų105.434%0.34254%0.535SS..SBendtrans-122.5158.6-170.9-60.2-34.5000112.2K587 M588 V589D585-K587 HydrophobicContact CB-CB 4.4Å; D585-K587 PolarHBondContact O-N 2.88Å; D585-K587 VanDerWaalsContact O-N 3.09Å; D585-M588 WeakPolarHBondContact O-CA 3.36Å; D585-M588 PolarHBondContact O-N 2.91Å; D585-V589 PolarHBondContact O-N 3.27Å
586V82.6Confident82.6Confident121 Ų121101.9 Ų101.973%0.73352%0.522SS*.Hα-helixtrans-54.8-30.5170.5-169.60000111.6V589 K590V586-V589 PolarHBondContact O-N 3.49Å; V586-K590 WeakPolarHBondContact O-CB 3.44Å; V586-K590 PolarHBondContact O-N 2.91Å
587K84.6Confident83.8Confident180 Ų180103.4 Ų103.478%0.78352%0.519SS*.Hα-helixtrans-62.9-44172.4-71-176.3-179.7176.40112.1D585 K590 K591D585-K587 HydrophobicContact CB-CB 4.4Å; D585-K587 PolarHBondContact O-N 2.88Å; D585-K587 VanDerWaalsContact O-N 3.09Å; K587-K590 PolarHBondContact O-N 3.46Å; K587-K591 PolarHBondContact O-N 2.95Å
588M83.1Confident84.8Confident88 Ų88108.5 Ų108.543%0.43354%0.537SS..Hα-helixtrans-69.2-39.4176.4-68.7-163.887.200111.7L583 R584 D585 K590 K591 A592L583-M588 HydrophobicContact CB-CB 4.32Å; L583-M588 HydrophobicContact CD2-CB 4.37Å; R584-M588 HydrophobicContact CB-SD 4.11Å; D585-M588 WeakPolarHBondContact O-CA 3.36Å; D585-M588 PolarHBondContact O-N 2.91Å; M588-K590 VanDerWaalsContact C-N 3.31Å; M588-K590 PolarHBondContact O-N 3.46Å; M588-K591 PolarHBondContact O-N 3.07Å; M588-A592 WeakPolarHBondContact O-CB 3.25Å; M588-A592 PolarHBondContact O-N 3.22Å
589V86.7Confident85.2Confident19 Ų19100.7 Ų100.712%0.11552%0.523CS..Hα-helixtrans-58.9-43.2172.51790000111.2V580 L583 D585 V586 K593V580-V589 HydrophobicContact CG1-CG2 4.37Å; L583-V589 HydrophobicContact CB-CG2 3.79Å; L583-V589 HydrophobicContact CD1-CB 4.31Å; L583-V589 HydrophobicContact CD1-CG2 3.89Å; L583-V589 HydrophobicContact CG-CG2 4.49Å; D585-V589 PolarHBondContact O-N 3.27Å; V586-V589 PolarHBondContact O-N 3.49Å; V589-K593 PolarHBondContact O-N 3.43Å
590K86.9Confident85.8Confident156 Ų15699.5 Ų99.568%0.67851%0.514SS*.Hα-helixtrans-63.7-44.4175.8-167.7176.9-178.4-179.80111.2V586 K587 M588 K593 T594V586-K590 WeakPolarHBondContact O-CB 3.44Å; V586-K590 PolarHBondContact O-N 2.91Å; K587-K590 PolarHBondContact O-N 3.46Å; M588-K590 VanDerWaalsContact C-N 3.31Å; M588-K590 PolarHBondContact O-N 3.46Å; K590-K593 PolarHBondContact O-N 3.08Å; K590-T594 PolarHBondContact O-N 3.43Å; K590-T594 PolarHBondContact O-OG1 3.49Å
591K88.2Confident86.4Confident140 Ų140103.5 Ų103.561%0.60953%0.527SS*.Hα-helixtrans-60.2-47.5177.2-168172.4-179.5176.10111.6K587 M588 K593 T594 M595K587-K591 PolarHBondContact O-N 2.95Å; M588-K591 PolarHBondContact O-N 3.07Å; K591-K593 PolarHBondContact O-N 3.06Å; K591-T594 VanDerWaalsContact CA-OG1 3.3Å; K591-T594 WeakPolarHBondContact CA-OG1 3.13Å; K591-T594 PolarHBondContact O-N 2.78Å; K591-T594 PolarHBondContact O-OG1 3.17Å; K591-M595 HydrophobicContact CG-CE 4.36Å; K591-M595 WeakPolarHBondContact O-CG 3.49Å; K591-M595 PolarHBondContact O-N 2.97Å
592A88Confident86.9Confident35 Ų35107.3 Ų107.329%0.28953%0.534SS..Hα-helixtrans-59.7-44.9175.800000112.1L583 M588 T594 M595 M596L583-A592 HydrophobicContact CD1-CB 3.84Å; M588-A592 WeakPolarHBondContact O-CB 3.25Å; M588-A592 PolarHBondContact O-N 3.22Å; A592-T594 PolarHBondContact O-N 3.17Å; A592-M595 PolarHBondContact O-N 3.01Å; A592-M596 PolarHBondContact O-N 3.41Å
593K88.7Confident87.3Confident106 Ų106106.6 Ų106.646%0.46151%0.512SS..Hα-helixtrans-61.1-39.3174.7-84.2179.1176172.40113.1V589 K590 K591 K597V589-K593 PolarHBondContact O-N 3.43Å; K590-K593 PolarHBondContact O-N 3.08Å; K591-K593 PolarHBondContact O-N 3.06Å; K593-K597 WeakPolarHBondContact O-CG 3.37Å; K593-K597 PolarHBondContact O-N 3.33Å
594T89.9Confident87.6Confident72 Ų72108.8 Ų108.844%0.44252%0.524SS..Hα-helixtrans-66.7-39.217429.80000112.7K590 K591 A592 K597 K598K590-T594 PolarHBondContact O-N 3.43Å; K590-T594 PolarHBondContact O-OG1 3.49Å; K591-T594 VanDerWaalsContact CA-OG1 3.3Å; K591-T594 WeakPolarHBondContact CA-OG1 3.13Å; K591-T594 PolarHBondContact O-N 2.78Å; K591-T594 PolarHBondContact O-OG1 3.17Å; A592-T594 PolarHBondContact O-N 3.17Å; T594-K597 PolarHBondContact O-N 2.91Å; T594-K598 WeakPolarHBondContact O-CG 3.3Å; T594-K598 PolarHBondContact O-N 3.47Å
595M90.2Very high88.2Confident113 Ų113109.2 Ų109.256%0.55753%0.525SS*.Hα-helixtrans-63.9-45175.4-71.9-170.7-66.900111.3K591 A592 K597 K598 A599K591-M595 HydrophobicContact CG-CE 4.36Å; K591-M595 WeakPolarHBondContact O-CG 3.49Å; K591-M595 PolarHBondContact O-N 2.97Å; A592-M595 PolarHBondContact O-N 3.01Å; M595-K597 PolarHBondContact O-N 2.94Å; M595-K598 PolarHBondContact O-N 3.37Å; M595-K598 VanDerWaalsContact O-N 3.17Å; M595-A599 PolarHBondContact O-N 3.18Å
596M91.6Very high88.9Confident94 Ų94112 Ų11246%0.46354%0.54SS..Hα-helixtrans-55.8-48173.8-177.4-162.374.100112A592 K598 A599 Q600A592-M596 PolarHBondContact O-N 3.41Å; M596-K598 VanDerWaalsContact C-N 3.34Å; M596-K598 PolarHBondContact O-N 3.39Å; M596-A599 PolarHBondContact O-N 3.11Å; M596-Q600 WeakPolarHBondContact O-CG 3.41Å; M596-Q600 PolarHBondContact O-N 2.95Å
597K89.7Confident89.2Confident141 Ų141109.1 Ų109.161%0.61354%0.535SS*.Hα-helixtrans-62.1-38.9176.8-74.4-179.7179.4-174.60112.8K593 T594 M595 K601K593-K597 WeakPolarHBondContact O-CG 3.37Å; K593-K597 PolarHBondContact O-N 3.33Å; T594-K597 PolarHBondContact O-N 2.91Å; M595-K597 PolarHBondContact O-N 2.94Å; K597-K601 PolarHBondContact O-N 3.44Å
598K91.6Very high89.4Confident150 Ų150103.2 Ų103.265%0.65251%0.509SS*.Hα-helixtrans-65-42.9175.3-76.9-177.2178.3-175.10111.2T594 M595 M596 Q600 K601T594-K598 WeakPolarHBondContact O-CG 3.3Å; T594-K598 PolarHBondContact O-N 3.47Å; M595-K598 PolarHBondContact O-N 3.37Å; M595-K598 VanDerWaalsContact O-N 3.17Å; M596-K598 VanDerWaalsContact C-N 3.34Å; M596-K598 PolarHBondContact O-N 3.39Å; K598-Q600 VanDerWaalsContact C-N 3.33Å; K598-Q600 PolarHBondContact O-N 3.03Å; K598-K601 WeakPolarHBondContact O-CB 3.26Å; K598-K601 PolarHBondContact O-N 3.33Å
599A90.9Very high89.7Confident73 Ų73108.7 Ų108.760%0.60353%0.531SS*.Hα-helixtrans-62.4-39.2177.300000112.4M595 M596 K601M595-A599 PolarHBondContact O-N 3.18Å; M596-A599 PolarHBondContact O-N 3.11Å; A599-K601 VanDerWaalsContact C-N 3.29Å; A599-K601 PolarHBondContact O-N 3.43Å
600Q91.7Very high89.8Confident63 Ų63109.3 Ų109.329%0.29454%0.541SS..Hα-helixtrans-71.4-15.5180-71.6174.1-14.700114.6M596 K598 K602 M603 N604M596-Q600 WeakPolarHBondContact O-CG 3.41Å; M596-Q600 PolarHBondContact O-N 2.95Å; K598-Q600 VanDerWaalsContact C-N 3.33Å; K598-Q600 PolarHBondContact O-N 3.03Å; Q600-K602 PolarHBondContact O-N 3.36Å; Q600-K602 VanDerWaalsContact O-N 3.15Å; Q600-M603 HydrophobicContact CB-CE 4.24Å; Q600-M603 HydrophobicContact CG-CE 3.76Å; Q600-M603 PolarHBondContact O-N 3.48Å; Q600-M603 VanDerWaalsContact O-N 3.07Å; Q600-N604 PolarHBondContact O-N 3.39Å
601K91.2Very high89.9Confident147 Ų147109.4 Ų109.464%0.63954%0.544SS*.Hα-helixtrans-53.5-39.2-177.9-76.2-171.2175.2-171.10113.2K597 K598 A599 R605K597-K601 PolarHBondContact O-N 3.44Å; K598-K601 WeakPolarHBondContact O-CB 3.26Å; K598-K601 PolarHBondContact O-N 3.33Å; A599-K601 VanDerWaalsContact C-N 3.29Å; A599-K601 PolarHBondContact O-N 3.43Å; K601-R605 VanDerWaalsContact O-CB 3.31Å; K601-R605 WeakPolarHBondContact O-CB 3.46Å; K601-R605 PolarHBondContact O-N 2.9Å
602K91.3Very high90Very high158 Ų158106.8 Ų106.869%0.68755%0.548SS*.Hα-helixtrans-63.4-46.6178.7-71.4-178174.6178.80111.6Q600 L606Q600-K602 PolarHBondContact O-N 3.36Å; Q600-K602 VanDerWaalsContact O-N 3.15Å; K602-L606 WeakPolarHBondContact O-CG 3.36Å; K602-L606 PolarHBondContact O-N 2.89Å
603M90Very high90.1Very high56 Ų56106.6 Ų106.628%0.27654%0.543SS..Hα-helixtrans-66.7-43.4179.2-63.5-171.4-62.300111.9Q600 R605 L606 G607 K608 E611Q600-M603 HydrophobicContact CB-CE 4.24Å; Q600-M603 HydrophobicContact CG-CE 3.76Å; Q600-M603 PolarHBondContact O-N 3.48Å; Q600-M603 VanDerWaalsContact O-N 3.07Å; M603-R605 VanDerWaalsContact C-N 3.35Å; M603-R605 PolarHBondContact O-N 3.44Å; M603-L606 CarbonylContact O-C 3.55Å; M603-L606 PolarHBondContact O-N 3.05Å; M603-L606 VanDerWaalsContact O-N 3.09Å; M603-G607 PolarHBondContact O-N 3.4Å; M603-K608 HydrophobicContact CB-CB 4.36Å; M603-K608 PolarHBondContact O-N 3.02Å; M603-E611 HydrophobicContact CE-CB 4.09Å; M603-E611 HydrophobicContact SD-CB 4.01Å
604N90.9Very high90.1Very high107 Ų107111.5 Ų111.557%0.57256%0.558SS**Hα-helixtrans-64.8-39.6179.6-67.8-4.9000111.7Q600 L606 G607Q600-N604 PolarHBondContact O-N 3.39Å; N604-L606 PolarHBondContact O-N 2.9Å; N604-G607 PolarHBondContact O-N 3.37Å; N604-G607 VanDerWaalsContact O-N 3.1Å
605R89.2Confident90.1Very high210 Ų210113.1 Ų113.179%0.79256%0.561SS**Hα-helixtrans-61-30.5174-173.5178.667.6170.13.6112.4K601 M603K601-R605 VanDerWaalsContact O-CB 3.31Å; K601-R605 WeakPolarHBondContact O-CB 3.46Å; K601-R605 PolarHBondContact O-N 2.9Å; M603-R605 VanDerWaalsContact C-N 3.35Å; M603-R605 PolarHBondContact O-N 3.44Å
606L89.9Confident90.1Very high122 Ų122113.9 Ų113.964%0.63957%0.571SS**THydrogen-bonded Turntrans-86.4-1.1177.6-67.2171000113.6K602 M603 N604 K608K602-L606 WeakPolarHBondContact O-CG 3.36Å; K602-L606 PolarHBondContact O-N 2.89Å; M603-L606 CarbonylContact O-C 3.55Å; M603-L606 PolarHBondContact O-N 3.05Å; M603-L606 VanDerWaalsContact O-N 3.09Å; N604-L606 PolarHBondContact O-N 2.9Å; L606-K608 VanDerWaalsContact C-N 3.33Å; L606-K608 HydrophobicContact CB-CG 4.19Å; L606-K608 PolarHBondContact O-N 3.14Å
607G88.5Confident89.9Confident62 Ų62115.8 Ų115.864%0.63958%0.577SS**THydrogen-bonded Turntrans69.423.7-179.900000114.9M603 N604M603-G607 PolarHBondContact O-N 3.4Å; N604-G607 PolarHBondContact O-N 3.37Å; N604-G607 VanDerWaalsContact O-N 3.1Å
608K90Very high90.1Very high56 Ų56114.2 Ų114.224%0.24358%0.576CS.*  trans-67.9141.1178.7-64.1-53.9-158.9163.90111.6M603 L606 G610 D613 H615M603-K608 HydrophobicContact CB-CB 4.36Å; M603-K608 PolarHBondContact O-N 3.02Å; L606-K608 VanDerWaalsContact C-N 3.33Å; L606-K608 HydrophobicContact CB-CG 4.19Å; L606-K608 PolarHBondContact O-N 3.14Å; K608-G610 PolarHBondContact O-N 3.43Å; K608-D613 WeakPolarHBondContact CA-OD2 3.38Å; K608-D613 HydrophobicContact CB-CB 4.33Å; K608-D613 VanDerWaalsContact CD-O 3.26Å; K608-D613 WeakPolarHBondContact CD-O 3.39Å; K608-D613 WeakPolarHBondContact CE-O 3.22Å; K608-D613 PolarHBondContact NZ-O 3.17Å; K608-H615 PolarHBondContact NZ-O 3.01Å
609K88.6Confident89.9Confident202 Ų202114.9 Ų114.988%0.87858%0.583SS**SBendtrans-70.1-11.8179.2-62.5177.2-177.8176.20114D613K609-D613 HydrophobicContact CB-CB 4.03Å; K609-D613 PolarHBondContact N-OD2 2.81Å
610G88.7Confident89.8Confident33 Ų33119 Ų11934%0.3459%0.587SS.*SBendtrans163.4179.9179.800000110.6K608 A612 D613K608-G610 PolarHBondContact O-N 3.43Å; G610-A612 PolarHBondContact O-N 3.36Å; G610-D613 WeakPolarHBondContact O-CB 3.4Å; G610-D613 PolarHBondContact O-N 3.36Å
611E89.7Confident89.7Confident157 Ų157117 Ų11773%0.73458%0.58SS**THydrogen-bonded Turntrans-64.6-24176.667.8-171.7174.200113.4M603 D613M603-E611 HydrophobicContact CE-CB 4.09Å; M603-E611 HydrophobicContact SD-CB 4.01Å; E611-D613 VanDerWaalsContact C-N 3.29Å
612A89.2Confident89.7Confident85 Ų85118 Ų11870%0.70258%0.584SS**THydrogen-bonded Turntrans-73.2-18.7173.200000113.2G610 R614G610-A612 PolarHBondContact O-N 3.36Å; A612-R614 VanDerWaalsContact C-N 3.29Å; A612-R614 PolarHBondContact O-N 2.78Å
613D89.8Confident89.6Confident32 Ų32116.9 Ų116.917%0.17158%0.581CS.*  trans-81.875.8-178.5-177.314.7000111.7K608 K609 G610 E611 H615K608-D613 WeakPolarHBondContact CA-OD2 3.38Å; K608-D613 HydrophobicContact CB-CB 4.33Å; K608-D613 VanDerWaalsContact CD-O 3.26Å; K608-D613 WeakPolarHBondContact CD-O 3.39Å; K608-D613 WeakPolarHBondContact CE-O 3.22Å; K608-D613 PolarHBondContact NZ-O 3.17Å; K609-D613 HydrophobicContact CB-CB 4.03Å; K609-D613 PolarHBondContact N-OD2 2.81Å; G610-D613 WeakPolarHBondContact O-CB 3.4Å; G610-D613 PolarHBondContact O-N 3.36Å; E611-D613 VanDerWaalsContact C-N 3.29Å; D613-H615 VanDerWaalsContact C-N 3.29Å; D613-H615 WeakPolarHBondContact OD1-CB 3.39Å; D613-H615 PolarHBondContact OD1-N 3.16Å
614R89.3Confident89.5Confident208 Ų208119 Ų11979%0.78559%0.593SS**  trans-95.321.4173.4-61.4177.3-69.5-171.6-0.2111.7A612 V616A612-R614 VanDerWaalsContact C-N 3.29Å; A612-R614 PolarHBondContact O-N 2.78Å; R614-V616 PolarHBondContact O-N 3.25Å
615H89.7Confident89.4Confident106 Ų106119.5 Ų119.549%0.49160%0.595SS.*  trans-62.2120.1179.5-174.5-106.3000110.2K608 D613 F617K608-H615 PolarHBondContact NZ-O 3.01Å; D613-H615 VanDerWaalsContact C-N 3.29Å; D613-H615 WeakPolarHBondContact OD1-CB 3.39Å; D613-H615 PolarHBondContact OD1-N 3.16Å; H615-F617 AromaticContact CE1-CD1 3.53Å; H615-F617 AromaticContact CE1-CE1 3.7Å; H615-F617 AromaticContact ND1-CD1 3.52Å; H615-F617 AromaticContact ND1-CD2 3.95Å; H615-F617 AromaticContact ND1-CE1 3.49Å; H615-F617 WeakPolarHBondContact ND1-CE1 3.25Å; H615-F617 AromaticContact ND1-CE2 3.92Å; H615-F617 AromaticContact ND1-CG 3.76Å; H615-F617 AromaticContact ND1-CZ 3.69Å
616V89.8Confident89.3Confident129 Ų129112.6 Ų112.678%0.78258%0.579SS**  trans-89.4108170.8-178.50000106.2R614 D618R614-V616 PolarHBondContact O-N 3.25Å; V616-D618 PolarHBondContact O-N 3.25Å
617F89.4Confident89Confident134 Ų134109.6 Ų109.659%0.58858%0.578SS**  trans-66.3130.9172.1-70.3-79.7000108.9H615 M619H615-F617 AromaticContact CE1-CD1 3.53Å; H615-F617 AromaticContact CE1-CE1 3.7Å; H615-F617 AromaticContact ND1-CD1 3.52Å; H615-F617 AromaticContact ND1-CD2 3.95Å; H615-F617 AromaticContact ND1-CE1 3.49Å; H615-F617 WeakPolarHBondContact ND1-CE1 3.25Å; H615-F617 AromaticContact ND1-CE2 3.92Å; H615-F617 AromaticContact ND1-CG 3.76Å; H615-F617 AromaticContact ND1-CZ 3.69Å; F617-M619 HydrophobicContact CB-SD 4.22Å; F617-M619 PolarHBondContact O-N 3.18Å
618D91.9Very high88.8Confident108 Ų108116.1 Ų116.158%0.57859%0.588SS**  trans-70.589.1165.3-172.80.8000108.3V616 K620 P621V616-D618 PolarHBondContact O-N 3.25Å; D618-K620 PolarHBondContact O-N 3.44Å; D618-K620 PolarHBondContact OD1-N 3.08Å; D618-P621 VanDerWaalsContact O-CD 3.3Å; D618-P621 WeakPolarHBondContact O-CD 3.48Å; D618-P621 VanDerWaalsContact O-CG 3.32Å; D618-P621 WeakPolarHBondContact O-CG 3.48Å; D618-P621 VanDerWaalsContact OD2-CA 3.27Å; D618-P621 WeakPolarHBondContact OD2-CA 3.12Å
619M88.2Confident88.4Confident165 Ų165123 Ų12381%0.81361%0.613SS**SBendtrans-67-16.5179-64.7-66.5-82.800111.9F617F617-M619 HydrophobicContact CB-SD 4.22Å; F617-M619 PolarHBondContact O-N 3.18Å
620K89.3Confident88.2Confident158 Ų158121.8 Ų121.869%0.68761%0.608SS**SBendtrans-132.261.2-174.7-74.1-164.2177.61790110.2D618 K622 L625D618-K620 PolarHBondContact O-N 3.44Å; D618-K620 PolarHBondContact OD1-N 3.08Å; K620-K622 PolarHBondContact O-N 2.96Å; K620-K622 VanDerWaalsContact O-N 3.13Å; K620-L625 VanDerWaalsContact CA-CD1 3.41Å; K620-L625 HydrophobicContact CB-CD1 3.32Å; K620-L625 HydrophobicContact CD-CD1 3.99Å; K620-L625 HydrophobicContact CG-CD1 3.56Å
621P89.8Confident88Confident23 Ų23126 Ų12615%0.14964%0.64CS.*  trans-56.9123.9-176.9-20.632.8000110.7D618 H623 L624 L625D618-P621 VanDerWaalsContact O-CD 3.3Å; D618-P621 WeakPolarHBondContact O-CD 3.48Å; D618-P621 VanDerWaalsContact O-CG 3.32Å; D618-P621 WeakPolarHBondContact O-CG 3.48Å; D618-P621 VanDerWaalsContact OD2-CA 3.27Å; D618-P621 WeakPolarHBondContact OD2-CA 3.12Å; P621-H623 VanDerWaalsContact CB-CE1 3.42Å; P621-H623 WeakPolarHBondContact CB-CE1 3.3Å; P621-H623 PolarHBondContact O-N 3.19Å; P621-H623 VanDerWaalsContact O-N 3.14Å; P621-L624 HydrophobicContact CB-CB 4.34Å; P621-L624 HydrophobicContact CB-CD1 4.12Å; P621-L624 HydrophobicContact CB-CG 4.1Å; P621-L624 HydrophobicContact CG-CD1 3.84Å; P621-L624 HydrophobicContact CG-CG 4.37Å; P621-L624 WeakPolarHBondContact O-CA 3.37Å; P621-L624 PolarHBondContact O-N 3.42Å; P621-L625 PolarHBondContact O-N 2.7Å
622K90.6Very high87.7Confident166 Ų166121 Ų12172%0.72263%0.63SS**Hα-helixtrans-54.3-38.3-176.6-172.8178.3179.2-179.60111.5K620 L624 L625 S626K620-K622 PolarHBondContact O-N 2.96Å; K620-K622 VanDerWaalsContact O-N 3.13Å; K622-L624 PolarHBondContact O-N 3.32Å; K622-L625 PolarHBondContact O-N 3.48Å; K622-S626 WeakPolarHBondContact O-CA 3.49Å; K622-S626 WeakPolarHBondContact O-CB 3.28Å; K622-S626 PolarHBondContact O-N 2.95Å
623H89.5Confident87.4Confident135 Ų135127.1 Ų127.163%0.62564%0.641SS**Hα-helixtrans-70.3-14.2178.171-87.9000114.5P621P621-H623 VanDerWaalsContact CB-CE1 3.42Å; P621-H623 WeakPolarHBondContact CB-CE1 3.3Å; P621-H623 PolarHBondContact O-N 3.19Å; P621-H623 VanDerWaalsContact O-N 3.14Å
624L86.8Confident87.2Confident100 Ų100131.1 Ų131.152%0.52466%0.656SS.*Hα-helixtrans-96-31.7173.2-65.1-178.6000112.7P621 K622P621-L624 HydrophobicContact CB-CB 4.34Å; P621-L624 HydrophobicContact CB-CD1 4.12Å; P621-L624 HydrophobicContact CB-CG 4.1Å; P621-L624 HydrophobicContact CG-CD1 3.84Å; P621-L624 HydrophobicContact CG-CG 4.37Å; P621-L624 WeakPolarHBondContact O-CA 3.37Å; P621-L624 PolarHBondContact O-N 3.42Å; K622-L624 PolarHBondContact O-N 3.32Å
625L88.9Confident87.1Confident119 Ų119129.3 Ų129.362%0.62366%0.657SS**Hα-helixtrans-103.1-14-174.8-63.9178.7000114.3K620 P621 K622K620-L625 VanDerWaalsContact CA-CD1 3.41Å; K620-L625 HydrophobicContact CB-CD1 3.32Å; K620-L625 HydrophobicContact CD-CD1 3.99Å; K620-L625 HydrophobicContact CG-CD1 3.56Å; P621-L625 PolarHBondContact O-N 2.7Å; K622-L625 PolarHBondContact O-N 3.48Å
626S87.2Confident86.8Confident65 Ų65133.2 Ų133.246%0.45567%0.667SS.*SBendtrans-111.2151.4176.6-173.60000110.2K622K622-S626 WeakPolarHBondContact O-CA 3.49Å; K622-S626 WeakPolarHBondContact O-CB 3.28Å; K622-S626 PolarHBondContact O-N 2.95Å
627G85.3Confident86.5Confident59 Ų59141.7 Ų141.761%0.60869%0.685SS**  trans84.5161.3-178.500000113
628K83.2Confident86.4Confident198 Ų198142.1 Ų142.186%0.86169%0.69SS**  trans-126.5140.6171.9-68.8-178.5179.9178.10107.2K630K628-K630 PolarHBondContact O-N 3.48Å; K628-K630 VanDerWaalsContact O-N 3.07Å
629R81.2Confident86.1Confident201 Ų201143.8 Ų143.876%0.75870%0.696SS**  trans-63.3111.7175.2-179.2178.9138.5172.8-9.2109.4
630K84Confident85.9Confident177 Ų177142.7 Ų142.777%0.7769%0.689SS**  trans-83.3172.1174.4-63.5-174.2-179.6179.80111.2K628 G632K628-K630 PolarHBondContact O-N 3.48Å; K628-K630 VanDerWaalsContact O-N 3.07Å; K630-G632 PolarHBondContact O-N 2.81Å
631A84.8Confident85.7Confident122 Ų122141.8 Ų141.8100%1.00869%0.689SS**SBendtrans-71.510.7-178.300000115.4
632G84.5Confident85.5Confident51 Ų51149.2 Ų149.253%0.52672%0.723SS.*SBendtrans-121-140.5-174.400000113.6K630 K634K630-G632 PolarHBondContact O-N 2.81Å; G632-K634 PolarHBondContact O-N 3.37Å
633K83Confident85.2Confident214 Ų214148.1 Ų148.193%0.9372%0.723SS**  trans-55.9133.9175.2-74.2-175.7179.8178.30110.3
634K85.9Confident84.8Confident115 Ų115149 Ų14950%0.573%0.73SS.*  trans-93143.3178.3-58.5174.8-170.5166.20108.6G632 R636G632-K634 PolarHBondContact O-N 3.37Å; K634-R636 VanDerWaalsContact CB-O 3.25Å; K634-R636 WeakPolarHBondContact CB-O 3.35Å; K634-R636 PolarHBondContact O-N 3.11Å
635E85.2Confident84.7Confident170 Ų170152.8 Ų152.879%0.79475%0.746SS**SBendtrans-74.3-7.4176.9-65.1175-178.800113
636R83.9Confident84.3Confident189 Ų189155.6 Ų155.671%0.71376%0.757SS**  trans-140.9148175.760.7-173.2179.3-169.8-0.4109.6K634K634-R636 VanDerWaalsContact CB-O 3.25Å; K634-R636 WeakPolarHBondContact CB-O 3.35Å; K634-R636 PolarHBondContact O-N 3.11Å
637R84.1Confident84.1Confident306 Ų306163.8 Ų163.8100%1.15578%0.784SS**  trans-610-179.7-172.5173176.3176.3-1.3112.1

Retrieved 637 of 637 residues in 1963.6 ms (Link to these results)

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