A0A061ACS9_CAEEL Loading...

Rab-GAP TBC domain-containing protein

AlphaFold DB , UniProt , Accession A0A061ACS9, Species CAEEL (Caenorhabditis elegans), Gene tbc-9, Length 1,243 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
1M46.2Very low64.8Low141 Ų14194.6 Ų94.670%0.69548%0.475SS*.  0123.30-68.6-173.1-161.700109.4E85M1-E85 WeakPolarHBondContact CE-OE2 3.34Å
2V66.6Low63.6Low81 Ų8191.9 Ų91.949%0.49148%0.478SS..  trans-137.9110.9-176.8-173.90000110.8
3W76.4Confident63.2Low27 Ų2791.5 Ų91.510%0.10247%0.472CS..EExtended strand (participates in β ladder)trans-78.1137.5161.6-69.292.3000108.6A75 H86 H89 V90 F94 V115 L118 A119W3-A75 HydrophobicContact CE3-CB 4.03Å; W3-A75 HydrophobicContact CZ3-CB 4.29Å; W3-H86 AromaticContact CE2-CD2 3.76Å; W3-H86 AromaticContact CZ2-CD2 3.98Å; W3-H86 AromaticContact NE1-CD2 3.67Å; W3-H89 HydrophobicContact CZ2-CB 4.38Å; W3-H89 AromaticContact CZ2-CD2 3.63Å; W3-V90 HydrophobicContact CH2-CG2 3.75Å; W3-V90 HydrophobicContact CZ3-CG2 4.22Å; W3-F94 HydrophobicContact CH2-CE2 4.27Å; W3-F94 HydrophobicContact CH2-CZ 4.44Å; W3-V115 HydrophobicContact CE3-CG1 4.08Å; W3-V115 HydrophobicContact CE3-CG2 4.09Å; W3-V115 HydrophobicContact CZ3-CG2 4.03Å; W3-L118 HydrophobicContact CB-CB 4.28Å; W3-L118 HydrophobicContact CD2-CB 4.21Å; W3-L118 HydrophobicContact CD2-CD1 4.15Å; W3-L118 HydrophobicContact CG-CB 3.88Å; W3-L118 HydrophobicContact CH2-CD1 4.39Å; W3-L118 HydrophobicContact CZ2-CD1 4.03Å; W3-A119 HydrophobicContact CB-CB 4.21Å
4V71.8Confident63Low37 Ų3790 Ų9022%0.22447%0.474CS..EExtended strand (participates in β ladder)trans-106.7147.1-177.6-1660000108.9L74 V76 V115V4-L74 PolarHBondContact N-O 3.38Å; V4-L74 VanDerWaalsContact N-O 3.13Å; V4-V76 HydrophobicContact CG2-CB 4.34Å; V4-V76 HydrophobicContact CG2-CG1 4.14Å; V4-V76 HydrophobicContact CG2-CG2 3.5Å; V4-V76 VanDerWaalsContact CG2-CG2 3.5Å; V4-V115 VanDerWaalsContact O-CG1 3.27Å; V4-V115 WeakPolarHBondContact O-CG1 3.3Å
5K72.9Confident63.1Low123 Ų12390.5 Ų90.554%0.53547%0.471SS..EExtended strand (participates in β ladder)trans-57.2135.5170.3-72.3-173.6178.2179.40109E7 A119 N120K5-E7 PolarHBondContact O-N 3.02Å; K5-E7 VanDerWaalsContact O-N 3.09Å; K5-A119 HydrophobicContact CG-CB 4.43Å; K5-N120 WeakPolarHBondContact CE-OD1 3.46Å
6P73.3Confident63.9Low28 Ų2886.2 Ų86.218%0.18245%0.446CS..EExtended strand (participates in β ladder)trans-56.5115.8-175.2-25.133.6000111.9I72 T112 V115 E116P6-I72 HydrophobicContact CB-CG2 3.63Å; P6-T112 HydrophobicContact CB-CG2 4.05Å; P6-T112 HydrophobicContact CG-CG2 4.16Å; P6-V115 HydrophobicContact CG-CB 4.35Å; P6-V115 HydrophobicContact CG-CG1 4.22Å; P6-E116 VanDerWaalsContact CD-CG 3.43Å; P6-E116 HydrophobicContact CG-CG 3.98Å
7E67.4Low64.8Low130 Ų13083.1 Ų83.161%0.60743%0.434SS*.EExtended strand (participates in β ladder)trans-117.7132.7179.4-77.1-177.8-179.800110.9K5 I72 V73K5-E7 PolarHBondContact O-N 3.02Å; K5-E7 VanDerWaalsContact O-N 3.09Å; E7-I72 WeakPolarHBondContact O-CA 3.43Å; E7-V73 PolarHBondContact O-N 2.96Å
8H71.7Confident65.9Low126 Ų12682.1 Ų82.158%0.58343%0.434SS*.EExtended strand (participates in β ladder)trans-71.8132.9176.8-71.7-83.7000111.4
9L68.2Low66.9Low51 Ų5182.4 Ų82.427%0.26743%0.433SS..  trans-82.2117.2175.5-90.2150.1000111.3R58 I60 S71 V73L9-R58 VanDerWaalsContact CD2-NH1 3.26Å; L9-I60 HydrophobicContact CD1-CG2 3.83Å; L9-S71 PolarHBondContact N-O 3.17Å; L9-V73 HydrophobicContact CD1-CG2 3.49Å; L9-V73 VanDerWaalsContact CD1-CG2 3.49Å; L9-V73 HydrophobicContact CD2-CG2 4.42Å; L9-V73 HydrophobicContact CG-CG2 3.82Å
10I49.5Very low67.8Low167 Ų16782.3 Ų82.386%0.85643%0.429SS*.  trans-98.4-11.4178-54.8174.4000111.7
11L49.2Very low68.6Low130 Ų13081.7 Ų81.768%0.68144%0.436SS*.SBendtrans-109.3148.3-174.5-76.3164.5000113.7
12A49.8Very low70.4Confident62 Ų6276.9 Ų76.951%0.51242%0.416SS..  trans-59.5135.7-172.900000114.7S14A12-S14 WeakPolarHBondContact CB-OG 3.37Å; A12-S14 PolarHBondContact O-N 3.47Å
13Q58.9Low71Confident86 Ų8681.1 Ų81.140%0.40243%0.428SS..G310 helixtrans-61.7-5.6177.7-66.8-173.3-11.100114.6F15 W16 S71Q13-F15 PolarHBondContact O-N 3.45Å; Q13-F15 VanDerWaalsContact O-N 3.1Å; Q13-W16 PolarHBondContact O-N 3.02Å; Q13-W16 VanDerWaalsContact O-N 3.12Å; Q13-S71 PolarHBondContact NE2-OG 3.42Å
14S59.5Low71.3Confident71 Ų7181.8 Ų81.850%0.49743%0.431SS..G310 helixtrans-60.4-23.1-172.928.50000114.9A12 K31A12-S14 WeakPolarHBondContact CB-OG 3.37Å; A12-S14 PolarHBondContact O-N 3.47Å; S14-K31 PolarHBondContact O-NZ 3.42Å
15F65Low72.1Confident97 Ų9780 Ų8043%0.42542%0.42SS..G310 helixtrans-91.6-0.2179.8-59.5-72.6000115.1Q13 K31Q13-F15 PolarHBondContact O-N 3.45Å; Q13-F15 VanDerWaalsContact O-N 3.1Å; F15-K31 WeakPolarHBondContact O-CB 3.26Å; F15-K31 PolarHBondContact O-N 3.23Å
16W75.6Confident72.9Confident22 Ų2276.4 Ų76.48%0.08341%0.405CS..EExtended strand (participates in β ladder)trans-119.8142-176.7-63.184.3000110.6Q13 Q28 R29 R30 K31 P54 P55 P56 R58Q13-W16 PolarHBondContact O-N 3.02Å; Q13-W16 VanDerWaalsContact O-N 3.12Å; W16-Q28 HydrophobicContact CB-CB 4.34Å; W16-Q28 HydrophobicContact CE3-CB 4.15Å; W16-R29 CarbonylContact C-O 3.58Å; W16-R29 WeakPolarHBondContact CA-O 3.26Å; W16-R29 VanDerWaalsContact CE3-C 3.47Å; W16-R30 HydrophobicContact CD2-CB 4.34Å; W16-R30 HydrophobicContact CD2-CG 4.4Å; W16-R30 HydrophobicContact CE3-CB 3.9Å; W16-R30 HydrophobicContact CE3-CG 4.44Å; W16-R30 HydrophobicContact CH2-CB 4.02Å; W16-R30 HydrophobicContact CH2-CG 4.3Å; W16-R30 HydrophobicContact CZ2-CB 4.45Å; W16-R30 HydrophobicContact CZ2-CG 4.26Å; W16-R30 HydrophobicContact CZ3-CB 3.73Å; W16-R30 HydrophobicContact CZ3-CG 4.39Å; W16-K31 VanDerWaalsContact O-CE 3.3Å; W16-K31 WeakPolarHBondContact O-CE 3.39Å; W16-P54 HydrophobicContact CH2-CB 4.11Å; W16-P54 HydrophobicContact CZ2-CB 3.97Å; W16-P54 HydrophobicContact CZ2-CG 4.18Å; W16-P55 WeakPolarHBondContact CH2-O 3.36Å; W16-P56 WeakPolarHBondContact CZ3-O 3.4Å; W16-R58 VanDerWaalsContact CD1-NH2 3.34Å; W16-R58 HydrophobicContact CE3-CG 4.02Å; W16-R58 HydrophobicContact CH2-CG 4.27Å; W16-R58 HydrophobicContact CZ3-CB 4.45Å; W16-R58 HydrophobicContact CZ3-CG 3.8Å
17S79.5Confident73.7Confident34 Ų3475.3 Ų75.324%0.23840%0.398CS..EExtended strand (participates in β ladder)trans-100.8131.6167.151.40000108.8E19 Q28 R29S17-E19 PolarHBondContact O-N 3.33Å; S17-E19 PolarHBondContact OG-OE1 2.89Å; S17-E19 VanDerWaalsContact OG-OE1 3.09Å; S17-Q28 CarbonylContact O-C 3.51Å; S17-Q28 VanDerWaalsContact O-CA 3.27Å; S17-Q28 WeakPolarHBondContact O-CA 3.33Å; S17-R29 PolarHBondContact N-O 2.95Å; S17-R29 PolarHBondContact O-N 3.13Å; S17-R29 PolarHBondContact OG-O 2.9Å
18C84.3Confident74.6Confident65 Ų6569.3 Ų69.344%0.43937%0.37SS..EExtended strand (participates in β ladder)trans-75.6122.8169.2-176.70000108.4K20C18-K20 PolarHBondContact SG-O 3.25Å
19E84.9Confident75.2Confident88 Ų8866 Ų6641%0.41135%0.352SS..EExtended strand (participates in β ladder)trans-94.2-43.2177.7-63.3-63.1144.300110.7S17 L27 R29S17-E19 PolarHBondContact O-N 3.33Å; S17-E19 PolarHBondContact OG-OE1 2.89Å; S17-E19 VanDerWaalsContact OG-OE1 3.09Å; E19-L27 PolarHBondContact N-O 3.29Å; E19-R29 HydrophobicContact CG-CB 3.5Å; E19-R29 VanDerWaalsContact CG-CB 3.5Å; E19-R29 WeakPolarHBondContact OE1-CB 3.42Å; E19-R29 WeakPolarHBondContact OE1-CD 3.46Å
20K84.8Confident75.4Confident79 Ų7964.8 Ų64.834%0.34334%0.344SS..EExtended strand (participates in β ladder)trans-141.5146.6177.8-56.4178.7-172.1169.10109.6C18 L27 E84 W87C18-K20 PolarHBondContact SG-O 3.25Å; K20-L27 HydrophobicContact CB-CB 4.05Å; K20-L27 HydrophobicContact CB-CD2 4.35Å; K20-L27 HydrophobicContact CD-CD2 4.04Å; K20-L27 HydrophobicContact CG-CD2 4.21Å; K20-L27 PolarHBondContact N-O 3.16Å; K20-L27 PolarHBondContact O-N 3.08Å; K20-E84 IonicContact NZ-OE1 3.23Å; K20-E84 PolarHBondContact NZ-OE1 2.86Å; K20-W87 HydrophobicContact CB-CZ2 3.8Å
21A85.4Confident76.3Confident71 Ų7162 Ų6259%0.58733%0.326SS*.EExtended strand (participates in β ladder)trans-137.1149.6178.300000111.5Q26A21-Q26 HydrophobicContact CB-CG 4.26Å
22S84.4Confident77Confident39 Ų3956.9 Ų56.927%0.27330%0.304SS..  trans-124.7176.6168.4176.60000108.1Y24 F25S22-Y24 PolarHBondContact O-N 3.49Å; S22-Y24 VanDerWaalsContact O-N 3.13Å; S22-F25 PolarHBondContact N-O 3.1Å
23K79.4Confident77.4Confident171 Ų17157.8 Ų57.874%0.74330%0.297SS*.SBendtrans-54.2-33.6-179.8-173179.6176.9-160.10113.2
24Y81.3Confident77.2Confident40 Ų4057.1 Ų57.116%0.15731%0.313CS..SBendtrans-122.9-10.9-174.8-64-73000114.6S22 Y61 D62 I98S22-Y24 PolarHBondContact O-N 3.49Å; S22-Y24 VanDerWaalsContact O-N 3.13Å; Y24-Y61 HydrophobicContact CD1-CE2 4.25Å; Y24-Y61 HydrophobicContact CG-CE2 4.34Å; Y24-Y61 WeakPolarHBondContact O-CA 3.28Å; Y24-Y61 VanDerWaalsContact O-CD2 3.25Å; Y24-Y61 WeakPolarHBondContact O-CD2 3.37Å; Y24-D62 PolarHBondContact O-N 3.08Å; Y24-I98 HydrophobicContact CD2-CD1 3.46Å; Y24-I98 VanDerWaalsContact CD2-CD1 3.46Å; Y24-I98 HydrophobicContact CD2-CG1 4.28Å; Y24-I98 HydrophobicContact CE2-CD1 4.08Å; Y24-I98 HydrophobicContact CE2-CG1 4.46Å; Y24-I98 HydrophobicContact CG-CD1 4.06Å
25F89.9Confident76.9Confident0 Ų057.6 Ų57.60%031%0.313CS..EExtended strand (participates in β ladder)trans-131148.7-171.6-54.3-79000111.1S22 I60 Y61 L74 W87 V90 F94 V95 I98 V111S22-F25 PolarHBondContact N-O 3.1Å; F25-I60 CarbonylContact C-O 3.58Å; F25-I60 WeakPolarHBondContact CA-O 3.42Å; F25-Y61 AromaticContact CD1-CD2 3.82Å; F25-Y61 HydrophobicContact CD1-CD2 3.82Å; F25-Y61 HydrophobicContact CD1-CG 4.33Å; F25-Y61 AromaticContact CE1-CD2 3.42Å; F25-Y61 HydrophobicContact CE1-CD2 3.42Å; F25-Y61 VanDerWaalsContact CE1-CD2 3.42Å; F25-Y61 HydrophobicContact CE1-CE2 4.33Å; F25-Y61 HydrophobicContact CE1-CG 4.02Å; F25-Y61 AromaticContact CZ-CD2 3.97Å; F25-Y61 HydrophobicContact CZ-CD2 3.97Å; F25-Y61 HydrophobicContact CZ-CE2 4.48Å; F25-L74 HydrophobicContact CD1-CD1 3.72Å; F25-L74 HydrophobicContact CE1-CD1 3.5Å; F25-L74 VanDerWaalsContact CE1-CD1 3.5Å; F25-W87 HydrophobicContact CB-CH2 4.09Å; F25-W87 HydrophobicContact CB-CZ3 3.78Å; F25-W87 WeakPolarHBondContact O-CH2 3.4Å; F25-V90 HydrophobicContact CB-CG1 4.32Å; F25-V90 HydrophobicContact CD1-CG1 4.07Å; F25-V90 HydrophobicContact CD2-CG1 3.49Å; F25-V90 VanDerWaalsContact CD2-CG1 3.49Å; F25-V90 HydrophobicContact CE1-CG1 4.23Å; F25-V90 HydrophobicContact CE2-CG1 3.68Å; F25-V90 HydrophobicContact CG-CG1 3.7Å; F25-V90 HydrophobicContact CZ-CG1 4.06Å; F25-F94 HydrophobicContact CE2-CB 4.3Å; F25-F94 HydrophobicContact CZ-CB 4.17Å; F25-F94 HydrophobicContact CZ-CD1 4.41Å; F25-V95 HydrophobicContact CD2-CG2 4.22Å; F25-V95 HydrophobicContact CE2-CG2 4.13Å; F25-I98 HydrophobicContact CE2-CD1 3.6Å; F25-I98 HydrophobicContact CZ-CD1 4.02Å; F25-V111 HydrophobicContact CE1-CG1 3.99Å; F25-V111 HydrophobicContact CE1-CG2 4.33Å; F25-V111 HydrophobicContact CZ-CG1 4.4Å; F25-V111 HydrophobicContact CZ-CG2 3.95Å
26Q88.9Confident75.9Confident48 Ų4865.3 Ų65.322%0.22434%0.34CS..EExtended strand (participates in β ladder)trans-131.3133171.5-57.6-1765.800110.9A21 Q28 I59 I60 D62A21-Q26 HydrophobicContact CB-CG 4.26Å; Q26-Q28 HydrophobicContact CB-CG 4.16Å; Q26-I59 CarbonylContact O-C 3.6Å; Q26-I59 WeakPolarHBondContact O-CA 3.08Å; Q26-I60 HydrophobicContact CB-CD1 4.26Å; Q26-I60 HydrophobicContact CB-CG1 3.78Å; Q26-I60 HydrophobicContact CG-CG1 4.49Å; Q26-I60 PolarHBondContact N-O 2.83Å; Q26-I60 PolarHBondContact O-N 3.26Å; Q26-D62 WeakPolarHBondContact CG-OD2 3.44Å; Q26-D62 PolarHBondContact NE2-OD2 3.37Å; Q26-D62 VanDerWaalsContact NE2-OD2 3.13Å
27L89.3Confident74.9Confident5 Ų566 Ų663%0.02635%0.353CS..EExtended strand (participates in β ladder)trans-88.1119.8163.6-179.966.5000108.1E19 K20 I59 I83 W87E19-L27 PolarHBondContact N-O 3.29Å; K20-L27 HydrophobicContact CB-CB 4.05Å; K20-L27 HydrophobicContact CB-CD2 4.35Å; K20-L27 HydrophobicContact CD-CD2 4.04Å; K20-L27 HydrophobicContact CG-CD2 4.21Å; K20-L27 PolarHBondContact N-O 3.16Å; K20-L27 PolarHBondContact O-N 3.08Å; L27-I59 HydrophobicContact CD1-CD1 4.42Å; L27-I59 HydrophobicContact CD1-CG1 3.65Å; L27-I83 HydrophobicContact CD1-CB 4.11Å; L27-I83 HydrophobicContact CD1-CD1 4.5Å; L27-I83 HydrophobicContact CD1-CG1 3.29Å; L27-I83 HydrophobicContact CD1-CG2 3.75Å; L27-I83 HydrophobicContact CD2-CG2 4.45Å; L27-W87 HydrophobicContact CB-CD2 3.95Å; L27-W87 HydrophobicContact CB-CE3 3.7Å; L27-W87 HydrophobicContact CB-CH2 4.43Å; L27-W87 HydrophobicContact CB-CZ3 3.95Å; L27-W87 HydrophobicContact CD2-CB 4.49Å; L27-W87 HydrophobicContact CD2-CG 4.37Å; L27-W87 VanDerWaalsContact N-CZ3 3.32Å
28Q87.3Confident73.3Confident4 Ų473.1 Ų73.12%0.01938%0.38CS..EExtended strand (participates in β ladder)trans-120.1141.5-177.5-63.3-174.5-17.200111.1W16 S17 Q26 Y57 R58 I60W16-Q28 HydrophobicContact CB-CB 4.34Å; W16-Q28 HydrophobicContact CE3-CB 4.15Å; S17-Q28 CarbonylContact O-C 3.51Å; S17-Q28 VanDerWaalsContact O-CA 3.27Å; S17-Q28 WeakPolarHBondContact O-CA 3.33Å; Q26-Q28 HydrophobicContact CB-CG 4.16Å; Q28-Y57 WeakPolarHBondContact O-CA 3.46Å; Q28-R58 HydrophobicContact CB-CG 3.95Å; Q28-R58 PolarHBondContact N-O 3.27Å; Q28-R58 PolarHBondContact O-N 2.54Å; Q28-R58 VanDerWaalsContact OE1-CZ 3.23Å; Q28-I60 VanDerWaalsContact CD-CD1 3.5Å; Q28-I60 HydrophobicContact CG-CD1 4.4Å
29R84.2Confident71.6Confident56 Ų5673.4 Ų73.421%0.21138%0.383CS..EExtended strand (participates in β ladder)trans-112146.3171.7178.2-177.5177.81520.8109.7W16 S17 E19 H33 P56 Y57W16-R29 CarbonylContact C-O 3.58Å; W16-R29 WeakPolarHBondContact CA-O 3.26Å; W16-R29 VanDerWaalsContact CE3-C 3.47Å; S17-R29 PolarHBondContact N-O 2.95Å; S17-R29 PolarHBondContact O-N 3.13Å; S17-R29 PolarHBondContact OG-O 2.9Å; E19-R29 HydrophobicContact CG-CB 3.5Å; E19-R29 VanDerWaalsContact CG-CB 3.5Å; E19-R29 WeakPolarHBondContact OE1-CB 3.42Å; E19-R29 WeakPolarHBondContact OE1-CD 3.46Å; R29-H33 PolarHBondContact NH2-O 3.22Å; R29-P56 CarbonylContact C-O 3.56Å; R29-P56 WeakPolarHBondContact CA-O 3.43Å; R29-Y57 HydrophobicContact CB-CD1 3.98Å; R29-Y57 HydrophobicContact CB-CE1 3.93Å; R29-Y57 HydrophobicContact CG-CD1 4.07Å; R29-Y57 HydrophobicContact CG-CE1 3.62Å
30R72.8Confident70.1Confident26 Ų2671 Ų7110%0.09838%0.376CS..EExtended strand (participates in β ladder)trans-77.9130.5178.3-161.8175.3175.4102.54.5111.7W16 G32 H33 D47 P56W16-R30 HydrophobicContact CD2-CB 4.34Å; W16-R30 HydrophobicContact CD2-CG 4.4Å; W16-R30 HydrophobicContact CE3-CB 3.9Å; W16-R30 HydrophobicContact CE3-CG 4.44Å; W16-R30 HydrophobicContact CH2-CB 4.02Å; W16-R30 HydrophobicContact CH2-CG 4.3Å; W16-R30 HydrophobicContact CZ2-CB 4.45Å; W16-R30 HydrophobicContact CZ2-CG 4.26Å; W16-R30 HydrophobicContact CZ3-CB 3.73Å; W16-R30 HydrophobicContact CZ3-CG 4.39Å; R30-G32 PolarHBondContact O-N 3.41Å; R30-H33 HydrophobicContact CB-CB 4.46Å; R30-H33 PolarHBondContact O-N 3.28Å; R30-D47 IonicContact CZ-OD1 3.96Å; R30-D47 IonicContact CZ-OD2 2.65Å; R30-D47 IonicContact NE-OD2 3.55Å; R30-D47 PolarHBondContact NE-OD2 3.42Å; R30-D47 IonicContact NH2-OD1 3.34Å; R30-D47 PolarHBondContact NH2-OD1 2.95Å; R30-D47 IonicContact NH2-OD2 2.96Å; R30-D47 PolarHBondContact NH2-OD2 3.43Å; R30-P56 PolarHBondContact N-O 2.79Å
31K68.5Low68.5Low109 Ų10972.8 Ų72.847%0.47439%0.389SS..THydrogen-bonded Turntrans-64.2126.7176.7-68178.7-176.9163.90109.9S14 F15 W16S14-K31 PolarHBondContact O-NZ 3.42Å; F15-K31 WeakPolarHBondContact O-CB 3.26Å; F15-K31 PolarHBondContact O-N 3.23Å; W16-K31 VanDerWaalsContact O-CE 3.3Å; W16-K31 WeakPolarHBondContact O-CE 3.39Å
32G63.4Low66.9Low21 Ų2174.6 Ų74.622%0.21639%0.387CS..THydrogen-bonded Turntrans95.5-7-179.500000115.3R30 G34R30-G32 PolarHBondContact O-N 3.41Å; G32-G34 PolarHBondContact O-N 3.1Å
33H59.1Low65.4Low81 Ų8174 Ų7438%0.37538%0.382SS..THydrogen-bonded Turntrans-78.1118.4171.6-171.5-96.2000110.7R29 R30 P56R29-H33 PolarHBondContact NH2-O 3.22Å; R30-H33 HydrophobicContact CB-CB 4.46Å; R30-H33 PolarHBondContact O-N 3.28Å; H33-P56 HydrophobicContact CB-CB 4.1Å; H33-P56 VanDerWaalsContact CD2-CB 3.43Å; H33-P56 WeakPolarHBondContact CD2-CB 3.21Å; H33-P56 WeakPolarHBondContact CE1-CB 3.2Å; H33-P56 VanDerWaalsContact CE1-CG 3.47Å; H33-P56 WeakPolarHBondContact CE1-CG 3.43Å; H33-P56 WeakPolarHBondContact ND1-CB 3.25Å; H33-P56 WeakPolarHBondContact NE2-CB 3.38Å
34G54.8Low63.9Low72 Ų7268.8 Ų68.874%0.74237%0.371SS*.THydrogen-bonded Turntrans89.73.2178.300000116.3G32G32-G34 PolarHBondContact O-N 3.1Å
35T52.6Low62.2Low81 Ų8171 Ų7150%0.49739%0.389SS..  trans-116.1134.1178.250.40000111.7G37T35-G37 PolarHBondContact O-N 3.45Å
36R44.8Very low60.2Low260 Ų26074.1 Ų74.198%0.98141%0.405SS*.  trans-84.7104.6174.8-73.9-176.9171.8175.3-1.9110.6
37G54.4Low57.9Low35 Ų3573 Ų7336%0.36140%0.4SS..SBendtrans-177.1167.9176.100000114.1T35 S39 S40T35-G37 PolarHBondContact O-N 3.45Å; G37-S39 PolarHBondContact O-N 2.91Å; G37-S40 PolarHBondContact O-N 2.75Å; G37-S40 PolarHBondContact O-OG 2.92Å
38F45.2Very low55.8Low185 Ų18575.3 Ų75.381%0.81142%0.417SS*.Hα-helixtrans-56.2-24.7-174-76.1-86000115.2S40 L41 I42F38-S40 VanDerWaalsContact C-N 3.31Å; F38-S40 PolarHBondContact O-N 3.13Å; F38-L41 PolarHBondContact O-N 3.05Å; F38-I42 PolarHBondContact O-N 2.88Å
39S48Very low53.5Low70 Ų7080 Ų8049%0.4945%0.445SS..Hα-helixtrans-66.2-28.7174.251.20000113.3G37 V43G37-S39 PolarHBondContact O-N 2.91Å; S39-V43 VanDerWaalsContact O-CG2 3.29Å; S39-V43 WeakPolarHBondContact O-CG2 3.31Å; S39-V43 PolarHBondContact O-N 3.44Å
40S54.8Low51.3Low38 Ų3884.1 Ų84.127%0.26647%0.465SS..Hα-helixtrans-73.7-28.3177.774.60000112.7G37 F38 A44G37-S40 PolarHBondContact O-N 2.75Å; G37-S40 PolarHBondContact O-OG 2.92Å; F38-S40 VanDerWaalsContact C-N 3.31Å; F38-S40 PolarHBondContact O-N 3.13Å; S40-A44 VanDerWaalsContact O-CB 3.27Å; S40-A44 WeakPolarHBondContact O-CB 3.4Å; S40-A44 PolarHBondContact O-N 2.65Å; S40-A44 VanDerWaalsContact O-N 3.16Å
41L49.8Very low50Low117 Ų11789.7 Ų89.761%0.61350%0.497SS*.Hα-helixtrans-74-40.2176.7-106.594.7000112.3F38 T45F38-L41 PolarHBondContact O-N 3.05Å; L41-T45 WeakPolarHBondContact O-CB 3.28Å; L41-T45 PolarHBondContact O-N 3.42Å; L41-T45 VanDerWaalsContact O-N 3.09Å; L41-T45 PolarHBondContact O-OG1 2.81Å
42I52Low49Very low108 Ų10887.3 Ų87.355%0.55449%0.491SS*.Hα-helixtrans-69.7-41.5-179.4-63.7172000110.2F38 T45 I46F38-I42 PolarHBondContact O-N 2.88Å; I42-T45 PolarHBondContact O-N 2.91Å; I42-I46 HydrophobicContact CG2-CD1 3.87Å; I42-I46 WeakPolarHBondContact O-CG1 3.47Å; I42-I46 PolarHBondContact O-N 3.18Å
43V52.7Low48.6Very low27 Ų2796.9 Ų96.916%0.16452%0.521CS..Hα-helixtrans-66.5-40.5176.4175.70000111.5S39 T45 I46 D47S39-V43 VanDerWaalsContact O-CG2 3.29Å; S39-V43 WeakPolarHBondContact O-CG2 3.31Å; S39-V43 PolarHBondContact O-N 3.44Å; V43-T45 VanDerWaalsContact C-N 3.3Å; V43-T45 PolarHBondContact O-N 3.02Å; V43-I46 PolarHBondContact O-N 3.39Å; V43-D47 WeakPolarHBondContact O-CB 3.38Å; V43-D47 VanDerWaalsContact O-CG 3.28Å; V43-D47 PolarHBondContact O-N 2.99Å
44A48.4Very low48.7Very low62 Ų6295.1 Ų95.151%0.51252%0.517SS..Hα-helixtrans-64.8-31.5175.600000113.7S40 S48S40-A44 VanDerWaalsContact O-CB 3.27Å; S40-A44 WeakPolarHBondContact O-CB 3.4Å; S40-A44 PolarHBondContact O-N 2.65Å; S40-A44 VanDerWaalsContact O-N 3.16Å; A44-S48 PolarHBondContact O-N 3Å
45T45.9Very low49.3Very low86 Ų8693.6 Ų93.653%0.52849%0.494SS..Hα-helixtrans-77.1-34.7176.9-51.60000111.3L41 I42 V43 S48 V49L41-T45 WeakPolarHBondContact O-CB 3.28Å; L41-T45 PolarHBondContact O-N 3.42Å; L41-T45 VanDerWaalsContact O-N 3.09Å; L41-T45 PolarHBondContact O-OG1 2.81Å; I42-T45 PolarHBondContact O-N 2.91Å; V43-T45 VanDerWaalsContact C-N 3.3Å; V43-T45 PolarHBondContact O-N 3.02Å; T45-S48 PolarHBondContact O-OG 3.35Å; T45-S48 VanDerWaalsContact O-OG 3.1Å; T45-V49 VanDerWaalsContact O-CG2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.24Å; T45-V49 PolarHBondContact O-N 3.05Å
46I46.7Very low50.3Low66 Ų6690.3 Ų90.334%0.33847%0.474SS..Hα-helixtrans-74.3-35.8176.4-69.6172.7000111.1I42 V43 S48 V49 F50I42-I46 HydrophobicContact CG2-CD1 3.87Å; I42-I46 WeakPolarHBondContact O-CG1 3.47Å; I42-I46 PolarHBondContact O-N 3.18Å; V43-I46 PolarHBondContact O-N 3.39Å; I46-S48 VanDerWaalsContact C-N 3.27Å; I46-S48 PolarHBondContact O-N 3.15Å; I46-V49 PolarHBondContact O-N 3.39Å; I46-F50 HydrophobicContact CG2-CD2 3.69Å; I46-F50 HydrophobicContact CG2-CE2 4Å; I46-F50 WeakPolarHBondContact O-CD2 3.39Å; I46-F50 PolarHBondContact O-N 2.99Å
47D42.1Very low52Low24 Ų2478.5 Ų78.513%0.12843%0.43CS..Hα-helixtrans-68.9-22176.5-73.8-22.3000113.8R30 V43R30-D47 IonicContact CZ-OD1 3.96Å; R30-D47 IonicContact CZ-OD2 2.65Å; R30-D47 IonicContact NE-OD2 3.55Å; R30-D47 PolarHBondContact NE-OD2 3.42Å; R30-D47 IonicContact NH2-OD1 3.34Å; R30-D47 PolarHBondContact NH2-OD1 2.95Å; R30-D47 IonicContact NH2-OD2 2.96Å; R30-D47 PolarHBondContact NH2-OD2 3.43Å; V43-D47 WeakPolarHBondContact O-CB 3.38Å; V43-D47 VanDerWaalsContact O-CG 3.28Å; V43-D47 PolarHBondContact O-N 2.99Å
48S45.2Very low53.6Low53 Ų5377.6 Ų77.637%0.37142%0.415SS..Hα-helixtrans-82.6-20.5170.181.80000113.3A44 T45 I46A44-S48 PolarHBondContact O-N 3Å; T45-S48 PolarHBondContact O-OG 3.35Å; T45-S48 VanDerWaalsContact O-OG 3.1Å; I46-S48 VanDerWaalsContact C-N 3.27Å; I46-S48 PolarHBondContact O-N 3.15Å
49V37.6Very low55.6Low103 Ų10368.8 Ų68.862%0.62438%0.376SS*.Hα-helixtrans-87-34.5-179.7171.20000112T45 I46T45-V49 VanDerWaalsContact O-CG2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.24Å; T45-V49 PolarHBondContact O-N 3.05Å; I46-V49 PolarHBondContact O-N 3.39Å
50F38.9Very low57.5Low143 Ų14365.4 Ų65.463%0.62735%0.353SS*.THydrogen-bonded Turntrans-102.94.1-176.8-71.6-77.9000115.2I46 T52I46-F50 HydrophobicContact CG2-CD2 3.69Å; I46-F50 HydrophobicContact CG2-CE2 4Å; I46-F50 WeakPolarHBondContact O-CD2 3.39Å; I46-F50 PolarHBondContact O-N 2.99Å; F50-T52 PolarHBondContact O-N 2.87Å; F50-T52 VanDerWaalsContact O-N 3.14Å
51D45.5Very low59.1Low142 Ų14263.6 Ų63.676%0.75934%0.34SS*.THydrogen-bonded Turntrans47.642177.9-154.725.8000114.2
52T46.9Very low60.6Low59 Ų5958.7 Ų58.736%0.36232%0.315SS..  trans-122.3114.5163.9610000106.8F50 P54F50-T52 PolarHBondContact O-N 2.87Å; F50-T52 VanDerWaalsContact O-N 3.14Å; T52-P54 VanDerWaalsContact O-CD 3.25Å; T52-P54 WeakPolarHBondContact O-CD 3.38Å
53R56Low62.1Low222 Ų22253.9 Ų53.984%0.83829%0.29SS*.  trans-106.175.8158.1-69.6-171.5-169.6-1743.8107.5
54P60.9Low63.3Low45 Ų4557 Ų5729%0.29231%0.306SS..  trans-63.9141.2173.7-9.125.8000107.9W16 T52W16-P54 HydrophobicContact CH2-CB 4.11Å; W16-P54 HydrophobicContact CZ2-CB 3.97Å; W16-P54 HydrophobicContact CZ2-CG 4.18Å; T52-P54 VanDerWaalsContact O-CD 3.25Å; T52-P54 WeakPolarHBondContact O-CD 3.38Å
55P67.9Low64.4Low39 Ų3956.7 Ų56.725%0.25330%0.295SS..  trans-53.5145.6172.4-26.336.6000111.1W16 Y57 V76 A77 V78W16-P55 WeakPolarHBondContact CH2-O 3.36Å; P55-Y57 PolarHBondContact O-N 3.13Å; P55-Y57 VanDerWaalsContact O-N 3.09Å; P55-V76 HydrophobicContact CB-CB 3.97Å; P55-V76 HydrophobicContact CB-CG2 4.32Å; P55-V76 HydrophobicContact CG-CB 3.78Å; P55-V76 HydrophobicContact CG-CG2 3.67Å; P55-A77 VanDerWaalsContact CB-O 3.24Å; P55-A77 WeakPolarHBondContact CB-O 3.48Å; P55-V78 HydrophobicContact CB-CG2 4.37Å
56P73.1Confident65.6Low12 Ų1261.3 Ų61.38%0.07831%0.311CS..SBendtrans-62.5-19-169.325.3-38.2000115.3W16 R29 R30 H33 A77 V78W16-P56 WeakPolarHBondContact CZ3-O 3.4Å; R29-P56 CarbonylContact C-O 3.56Å; R29-P56 WeakPolarHBondContact CA-O 3.43Å; R30-P56 PolarHBondContact N-O 2.79Å; H33-P56 HydrophobicContact CB-CB 4.1Å; H33-P56 VanDerWaalsContact CD2-CB 3.43Å; H33-P56 WeakPolarHBondContact CD2-CB 3.21Å; H33-P56 WeakPolarHBondContact CE1-CB 3.2Å; H33-P56 VanDerWaalsContact CE1-CG 3.47Å; H33-P56 WeakPolarHBondContact CE1-CG 3.43Å; H33-P56 WeakPolarHBondContact ND1-CB 3.25Å; H33-P56 WeakPolarHBondContact NE2-CB 3.38Å; P56-A77 WeakPolarHBondContact CD-O 3.18Å; P56-V78 VanDerWaalsContact CG-O 3.25Å; P56-V78 WeakPolarHBondContact CG-O 3.4Å
57Y80.4Confident66.4Low13 Ų1366.4 Ų66.45%0.05134%0.339CS..EExtended strand (participates in β ladder)trans-120.9141.2175.3-57.6-81.3000110.9Q28 R29 P55 V76 A77 E80 I83Q28-Y57 WeakPolarHBondContact O-CA 3.46Å; R29-Y57 HydrophobicContact CB-CD1 3.98Å; R29-Y57 HydrophobicContact CB-CE1 3.93Å; R29-Y57 HydrophobicContact CG-CD1 4.07Å; R29-Y57 HydrophobicContact CG-CE1 3.62Å; P55-Y57 PolarHBondContact O-N 3.13Å; P55-Y57 VanDerWaalsContact O-N 3.09Å; Y57-V76 CarbonylContact O-C 3.52Å; Y57-V76 WeakPolarHBondContact O-CA 3.42Å; Y57-A77 PolarHBondContact N-O 2.95Å; Y57-A77 VanDerWaalsContact N-O 3.15Å; Y57-A77 PolarHBondContact O-N 3.22Å; Y57-E80 HydrophobicContact CE1-CB 4.16Å; Y57-E80 HydrophobicContact CE1-CG 4.04Å; Y57-E80 HydrophobicContact CE2-CB 3.93Å; Y57-E80 PolarHBondContact OH-OE2 3Å; Y57-I83 HydrophobicContact CD1-CG2 4.06Å; Y57-I83 HydrophobicContact CD2-CG2 4.49Å; Y57-I83 HydrophobicContact CG-CB 4.44Å; Y57-I83 HydrophobicContact CG-CG2 3.8Å
58R86.8Confident67.5Low15 Ų1569.4 Ų69.46%0.05736%0.358CS..EExtended strand (participates in β ladder)trans-145.2151.317668-177.6-172.9-177.84.8112.1L9 W16 Q28 I60 V73 A75 V76L9-R58 VanDerWaalsContact CD2-NH1 3.26Å; W16-R58 VanDerWaalsContact CD1-NH2 3.34Å; W16-R58 HydrophobicContact CE3-CG 4.02Å; W16-R58 HydrophobicContact CH2-CG 4.27Å; W16-R58 HydrophobicContact CZ3-CB 4.45Å; W16-R58 HydrophobicContact CZ3-CG 3.8Å; Q28-R58 HydrophobicContact CB-CG 3.95Å; Q28-R58 PolarHBondContact N-O 3.27Å; Q28-R58 PolarHBondContact O-N 2.54Å; Q28-R58 VanDerWaalsContact OE1-CZ 3.23Å; R58-I60 HydrophobicContact CG-CG2 4.15Å; R58-V73 HydrophobicContact CB-CG1 4.48Å; R58-A75 CarbonylContact C-O 3.48Å; R58-A75 VanDerWaalsContact CA-O 3.28Å; R58-A75 WeakPolarHBondContact CA-O 3.4Å; R58-V76 HydrophobicContact CB-CG1 4.14Å
59I87.9Confident68.9Low0 Ų071.5 Ų71.50%036%0.362CS..EExtended strand (participates in β ladder)trans-108.4126.8166.6-61.3168.5000107.7Q26 L27 L74 A75 I83 H86 W87Q26-I59 CarbonylContact O-C 3.6Å; Q26-I59 WeakPolarHBondContact O-CA 3.08Å; L27-I59 HydrophobicContact CD1-CD1 4.42Å; L27-I59 HydrophobicContact CD1-CG1 3.65Å; I59-L74 PolarHBondContact O-N 3.47Å; I59-A75 HydrophobicContact CB-CB 4.39Å; I59-A75 HydrophobicContact CD1-CB 4.4Å; I59-A75 PolarHBondContact N-O 2.96Å; I59-A75 PolarHBondContact O-N 3.38Å; I59-I83 HydrophobicContact CD1-CD1 4.04Å; I59-I83 HydrophobicContact CD1-CG1 4.15Å; I59-I83 HydrophobicContact CG1-CD1 3.93Å; I59-I83 HydrophobicContact CG1-CG1 3.94Å; I59-H86 HydrophobicContact CD1-CB 3.67Å; I59-W87 HydrophobicContact CD1-CB 3.97Å; I59-W87 HydrophobicContact CD1-CE3 4.16Å; I59-W87 HydrophobicContact CG1-CE3 4.07Å; I59-W87 HydrophobicContact CG2-CE3 4.07Å; I59-W87 HydrophobicContact CG2-CZ3 4.15Å
60I88.4Confident70.7Confident0 Ų068.6 Ų68.60%034%0.342CS..EExtended strand (participates in β ladder)trans-114.7152.417665.5171.2000110.8L9 F25 Q26 Q28 R58 D62 I72 V73L9-I60 HydrophobicContact CD1-CG2 3.83Å; F25-I60 CarbonylContact C-O 3.58Å; F25-I60 WeakPolarHBondContact CA-O 3.42Å; Q26-I60 HydrophobicContact CB-CD1 4.26Å; Q26-I60 HydrophobicContact CB-CG1 3.78Å; Q26-I60 HydrophobicContact CG-CG1 4.49Å; Q26-I60 PolarHBondContact N-O 2.83Å; Q26-I60 PolarHBondContact O-N 3.26Å; Q28-I60 VanDerWaalsContact CD-CD1 3.5Å; Q28-I60 HydrophobicContact CG-CD1 4.4Å; R58-I60 HydrophobicContact CG-CG2 4.15Å; I60-D62 WeakPolarHBondContact CD1-OD1 3.29Å; I60-D62 WeakPolarHBondContact CD1-OD2 3.4Å; I60-I72 CarbonylContact C-O 3.26Å; I60-I72 WeakPolarHBondContact CA-O 3.4Å; I60-I72 WeakPolarHBondContact CB-O 3.33Å; I60-V73 HydrophobicContact CG2-CG2 4.15Å
61Y87.7Confident72.6Confident0 Ų062.2 Ų62.20%032%0.315CS..EExtended strand (participates in β ladder)trans-108.7120.1168.9170.6-109.8000108.6Y24 F25 F63 I72 V107 R108 V111Y24-Y61 HydrophobicContact CD1-CE2 4.25Å; Y24-Y61 HydrophobicContact CG-CE2 4.34Å; Y24-Y61 WeakPolarHBondContact O-CA 3.28Å; Y24-Y61 VanDerWaalsContact O-CD2 3.25Å; Y24-Y61 WeakPolarHBondContact O-CD2 3.37Å; F25-Y61 AromaticContact CD1-CD2 3.82Å; F25-Y61 HydrophobicContact CD1-CD2 3.82Å; F25-Y61 HydrophobicContact CD1-CG 4.33Å; F25-Y61 AromaticContact CE1-CD2 3.42Å; F25-Y61 HydrophobicContact CE1-CD2 3.42Å; F25-Y61 VanDerWaalsContact CE1-CD2 3.42Å; F25-Y61 HydrophobicContact CE1-CE2 4.33Å; F25-Y61 HydrophobicContact CE1-CG 4.02Å; F25-Y61 AromaticContact CZ-CD2 3.97Å; F25-Y61 HydrophobicContact CZ-CD2 3.97Å; F25-Y61 HydrophobicContact CZ-CE2 4.48Å; Y61-F63 AromaticContact CD1-CD1 3.63Å; Y61-F63 HydrophobicContact CD1-CD1 3.63Å; Y61-F63 HydrophobicContact CD1-CE1 4.1Å; Y61-F63 HydrophobicContact CE1-CB 4.17Å; Y61-F63 AromaticContact CE1-CD1 3.26Å; Y61-F63 HydrophobicContact CE1-CD1 3.26Å; Y61-F63 AromaticContact CE1-CE1 3.88Å; Y61-F63 HydrophobicContact CE1-CE1 3.88Å; Y61-F63 HydrophobicContact CE1-CG 4.01Å; Y61-I72 PolarHBondContact N-O 2.74Å; Y61-I72 PolarHBondContact O-N 2.97Å; Y61-V107 HydrophobicContact CE2-CG1 4.17Å; Y61-V107 WeakPolarHBondContact OH-CG1 3.47Å; Y61-R108 HydrophobicContact CE1-CB 4.41Å; Y61-R108 HydrophobicContact CE1-CG 4.32Å; Y61-V111 HydrophobicContact CD1-CG1 4.37Å; Y61-V111 HydrophobicContact CD2-CG1 4.29Å; Y61-V111 HydrophobicContact CD2-CG2 4.46Å; Y61-V111 HydrophobicContact CE2-CG2 4.21Å; Y61-V111 HydrophobicContact CG-CG1 4.12Å
62D82.6Confident74.2Confident14 Ų1455.7 Ų55.78%0.07528%0.28CS..EExtended strand (participates in β ladder)trans-109.8135.8-177.1-68.7-33.9000109.6Y24 Q26 I60 H69 S71Y24-D62 PolarHBondContact O-N 3.08Å; Q26-D62 WeakPolarHBondContact CG-OD2 3.44Å; Q26-D62 PolarHBondContact NE2-OD2 3.37Å; Q26-D62 VanDerWaalsContact NE2-OD2 3.13Å; I60-D62 WeakPolarHBondContact CD1-OD1 3.29Å; I60-D62 WeakPolarHBondContact CD1-OD2 3.4Å; D62-H69 IonicContact OD1-NE2 3.95Å; D62-S71 WeakPolarHBondContact OD1-CA 3.47Å; D62-S71 WeakPolarHBondContact OD1-CB 3.27Å; D62-S71 PolarHBondContact OD1-OG 3.5Å
63F82.1Confident75.9Confident6 Ų653.8 Ų53.83%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-152.3158.7177.566.9-90.7000110.5Y61 D65 I70 I72 E104 R108Y61-F63 AromaticContact CD1-CD1 3.63Å; Y61-F63 HydrophobicContact CD1-CD1 3.63Å; Y61-F63 HydrophobicContact CD1-CE1 4.1Å; Y61-F63 HydrophobicContact CE1-CB 4.17Å; Y61-F63 AromaticContact CE1-CD1 3.26Å; Y61-F63 HydrophobicContact CE1-CD1 3.26Å; Y61-F63 AromaticContact CE1-CE1 3.88Å; Y61-F63 HydrophobicContact CE1-CE1 3.88Å; Y61-F63 HydrophobicContact CE1-CG 4.01Å; F63-D65 HydrophobicContact CD2-CB 4.3Å; F63-D65 HydrophobicContact CE2-CB 4Å; F63-I70 HydrophobicContact CD2-CB 4.33Å; F63-I70 HydrophobicContact CE1-CB 4.06Å; F63-I70 HydrophobicContact CE1-CG2 3.84Å; F63-I70 HydrophobicContact CE2-CB 3.77Å; F63-I70 HydrophobicContact CE2-CD1 3.9Å; F63-I70 HydrophobicContact CE2-CG1 4.28Å; F63-I70 HydrophobicContact CE2-CG2 4.15Å; F63-I70 HydrophobicContact CZ-CB 3.65Å; F63-I70 HydrophobicContact CZ-CD1 4.16Å; F63-I70 HydrophobicContact CZ-CG1 4.47Å; F63-I70 HydrophobicContact CZ-CG2 3.52Å; F63-I70 PolarHBondContact N-O 3.11Å; F63-I70 PolarHBondContact O-N 3.41Å; F63-I72 HydrophobicContact CE1-CD1 3.61Å; F63-I72 HydrophobicContact CE1-CG1 3.96Å; F63-I72 HydrophobicContact CZ-CD1 4.19Å; F63-E104 HydrophobicContact CB-CG 4.41Å; F63-E104 VanDerWaalsContact CB-OE1 3.26Å; F63-E104 WeakPolarHBondContact CB-OE1 3.46Å; F63-R108 HydrophobicContact CE1-CG 4.5Å
64D77.4Confident77.1Confident93 Ų9343.2 Ų43.250%0.49723%0.229SC..EExtended strand (participates in β ladder)trans-103.6132.5177-64.4-33.3000109.2H69 E104D64-H69 IonicContact OD1-CE1 3.9Å; D64-H69 IonicContact OD1-CG 3.6Å; D64-H69 IonicContact OD1-ND1 2.81Å; D64-H69 PolarHBondContact OD1-ND1 3.12Å; D64-E104 PolarHBondContact N-OE1 2.84Å; D64-E104 VanDerWaalsContact N-OE1 3.13Å
65D72Confident78.1Confident56 Ų5641.1 Ų41.130%0.29922%0.215SC..EExtended strand (participates in β ladder)trans-129.6113.8176.7-154.4-3.5000109.1F63 D67 V68 I70 R108F63-D65 HydrophobicContact CD2-CB 4.3Å; F63-D65 HydrophobicContact CE2-CB 4Å; D65-D67 VanDerWaalsContact C-N 3.32Å; D65-D67 PolarHBondContact O-N 3.43Å; D65-V68 PolarHBondContact N-O 3.35Å; D65-V68 WeakPolarHBondContact O-CB 3.33Å; D65-V68 PolarHBondContact O-N 2.98Å; D65-I70 HydrophobicContact CB-CD1 3.85Å; D65-R108 VanDerWaalsContact CG-NH2 3.27Å; D65-R108 IonicContact OD1-NH2 3.72Å; D65-R108 IonicContact OD2-CZ 3.25Å; D65-R108 VanDerWaalsContact OD2-CZ 3.25Å; D65-R108 IonicContact OD2-NH1 2.75Å; D65-R108 PolarHBondContact OD2-NH1 2.87Å; D65-R108 IonicContact OD2-NH2 2.91Å; D65-R108 PolarHBondContact OD2-NH2 3.31Å
66E72.3Confident78.7Confident183 Ų18340.6 Ų40.686%0.85521%0.211SC*.THydrogen-bonded Turntrans46.950.2-180-59.5-172.6171.200113.5V68E66-V68 VanDerWaalsContact C-N 3.26Å; E66-V68 PolarHBondContact O-N 3.48Å
67D62.7Low78.8Confident172 Ų17240.2 Ų40.292%0.9221%0.209SC*.THydrogen-bonded Turntrans66.514.4-177-60-44.8000115.7D65D65-D67 VanDerWaalsContact C-N 3.32Å; D65-D67 PolarHBondContact O-N 3.43Å
68V65.3Low78.3Confident87 Ų8744.1 Ų44.153%0.52723%0.234SC..EExtended strand (participates in β ladder)trans-109.9121.4171.6-175.70000110.4D65 E66 I70D65-V68 PolarHBondContact N-O 3.35Å; D65-V68 WeakPolarHBondContact O-CB 3.33Å; D65-V68 PolarHBondContact O-N 2.98Å; E66-V68 VanDerWaalsContact C-N 3.26Å; E66-V68 PolarHBondContact O-N 3.48Å; V68-I70 HydrophobicContact CG1-CG1 4.19Å; V68-I70 PolarHBondContact O-N 3.28Å
69H74.4Confident77.6Confident98 Ų9849.2 Ų49.245%0.45426%0.258SS..EExtended strand (participates in β ladder)trans-74.5120.6174-168.970.3000110.6D62 D64D62-H69 IonicContact OD1-NE2 3.95Å; D64-H69 IonicContact OD1-CE1 3.9Å; D64-H69 IonicContact OD1-CG 3.6Å; D64-H69 IonicContact OD1-ND1 2.81Å; D64-H69 PolarHBondContact OD1-ND1 3.12Å
70I74.6Confident77.2Confident41 Ų4153.3 Ų53.321%0.2128%0.278CS..EExtended strand (participates in β ladder)trans-119.3128.6-178.1-58178.4000109.8F63 D65 V68 I72F63-I70 HydrophobicContact CD2-CB 4.33Å; F63-I70 HydrophobicContact CE1-CB 4.06Å; F63-I70 HydrophobicContact CE1-CG2 3.84Å; F63-I70 HydrophobicContact CE2-CB 3.77Å; F63-I70 HydrophobicContact CE2-CD1 3.9Å; F63-I70 HydrophobicContact CE2-CG1 4.28Å; F63-I70 HydrophobicContact CE2-CG2 4.15Å; F63-I70 HydrophobicContact CZ-CB 3.65Å; F63-I70 HydrophobicContact CZ-CD1 4.16Å; F63-I70 HydrophobicContact CZ-CG1 4.47Å; F63-I70 HydrophobicContact CZ-CG2 3.52Å; F63-I70 PolarHBondContact N-O 3.11Å; F63-I70 PolarHBondContact O-N 3.41Å; D65-I70 HydrophobicContact CB-CD1 3.85Å; V68-I70 HydrophobicContact CG1-CG1 4.19Å; V68-I70 PolarHBondContact O-N 3.28Å; I70-I72 HydrophobicContact CG2-CG1 4.47Å
71S79.1Confident76.6Confident10 Ų1060.3 Ų60.37%0.0731%0.308CS..EExtended strand (participates in β ladder)trans-110.3134.9174.5-57.90000110.9L9 Q13 D62L9-S71 PolarHBondContact N-O 3.17Å; Q13-S71 PolarHBondContact NE2-OG 3.42Å; D62-S71 WeakPolarHBondContact OD1-CA 3.47Å; D62-S71 WeakPolarHBondContact OD1-CB 3.27Å; D62-S71 PolarHBondContact OD1-OG 3.5Å
72I80.8Confident76.1Confident4 Ų463.2 Ų63.22%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-122134.1175.1-62.2-179.3000109.9P6 E7 I60 Y61 F63 I70 L74 T112P6-I72 HydrophobicContact CB-CG2 3.63Å; E7-I72 WeakPolarHBondContact O-CA 3.43Å; I60-I72 CarbonylContact C-O 3.26Å; I60-I72 WeakPolarHBondContact CA-O 3.4Å; I60-I72 WeakPolarHBondContact CB-O 3.33Å; Y61-I72 PolarHBondContact N-O 2.74Å; Y61-I72 PolarHBondContact O-N 2.97Å; F63-I72 HydrophobicContact CE1-CD1 3.61Å; F63-I72 HydrophobicContact CE1-CG1 3.96Å; F63-I72 HydrophobicContact CZ-CD1 4.19Å; I70-I72 HydrophobicContact CG2-CG1 4.47Å; I72-L74 HydrophobicContact CG2-CD2 4.1Å; I72-T112 HydrophobicContact CD1-CG2 4.48Å
73V81.2Confident76.2Confident20 Ų2062.6 Ų62.612%0.12132%0.318CS..EExtended strand (participates in β ladder)trans-81.2129.3175.1-174.40000110.3E7 L9 R58 I60 V76E7-V73 PolarHBondContact O-N 2.96Å; L9-V73 HydrophobicContact CD1-CG2 3.49Å; L9-V73 VanDerWaalsContact CD1-CG2 3.49Å; L9-V73 HydrophobicContact CD2-CG2 4.42Å; L9-V73 HydrophobicContact CG-CG2 3.82Å; R58-V73 HydrophobicContact CB-CG1 4.48Å; I60-V73 HydrophobicContact CG2-CG2 4.15Å; V73-V76 HydrophobicContact CG1-CG1 3.74Å
74L81.6Confident76.3Confident0 Ų065.3 Ų65.30%033%0.331CS..EExtended strand (participates in β ladder)trans-107.9-37.4-179.3-57.9-171.7000113.5V4 F25 I59 I72 V111 V115V4-L74 PolarHBondContact N-O 3.38Å; V4-L74 VanDerWaalsContact N-O 3.13Å; F25-L74 HydrophobicContact CD1-CD1 3.72Å; F25-L74 HydrophobicContact CE1-CD1 3.5Å; F25-L74 VanDerWaalsContact CE1-CD1 3.5Å; I59-L74 PolarHBondContact O-N 3.47Å; I72-L74 HydrophobicContact CG2-CD2 4.1Å; L74-V111 HydrophobicContact CD1-CG1 3.78Å; L74-V111 HydrophobicContact CD2-CG1 4.06Å; L74-V115 HydrophobicContact CB-CG1 4.47Å; L74-V115 HydrophobicContact CB-CG2 4.28Å; L74-V115 HydrophobicContact CD1-CG2 4.27Å; L74-V115 HydrophobicContact CD2-CG2 4.11Å; L74-V115 HydrophobicContact CG-CG2 4.46Å
75A81.5Confident76.6Confident0 Ų064.8 Ų64.80%033%0.326CS..EExtended strand (participates in β ladder)trans-150.2152.7-178.900000110.4W3 R58 I59 I83 H86W3-A75 HydrophobicContact CE3-CB 4.03Å; W3-A75 HydrophobicContact CZ3-CB 4.29Å; R58-A75 CarbonylContact C-O 3.48Å; R58-A75 VanDerWaalsContact CA-O 3.28Å; R58-A75 WeakPolarHBondContact CA-O 3.4Å; I59-A75 HydrophobicContact CB-CB 4.39Å; I59-A75 HydrophobicContact CD1-CB 4.4Å; I59-A75 PolarHBondContact N-O 2.96Å; I59-A75 PolarHBondContact O-N 3.38Å; A75-I83 HydrophobicContact CB-CD1 4.36Å; A75-H86 HydrophobicContact CB-CB 4.39Å
76V81.4Confident77.1Confident28 Ų2862.4 Ų62.417%0.1731%0.313CS..EExtended strand (participates in β ladder)trans-138.5147.9178.7-60.80000109.7V4 P55 Y57 R58 V73V4-V76 HydrophobicContact CG2-CB 4.34Å; V4-V76 HydrophobicContact CG2-CG1 4.14Å; V4-V76 HydrophobicContact CG2-CG2 3.5Å; V4-V76 VanDerWaalsContact CG2-CG2 3.5Å; P55-V76 HydrophobicContact CB-CB 3.97Å; P55-V76 HydrophobicContact CB-CG2 4.32Å; P55-V76 HydrophobicContact CG-CB 3.78Å; P55-V76 HydrophobicContact CG-CG2 3.67Å; Y57-V76 CarbonylContact O-C 3.52Å; Y57-V76 WeakPolarHBondContact O-CA 3.42Å; R58-V76 HydrophobicContact CB-CG1 4.14Å; V73-V76 HydrophobicContact CG1-CG1 3.74Å
77A74.9Confident78Confident5 Ų554.2 Ų54.24%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-148.4158.7174.400000112.7P55 P56 Y57 E82 I83P55-A77 VanDerWaalsContact CB-O 3.24Å; P55-A77 WeakPolarHBondContact CB-O 3.48Å; P56-A77 WeakPolarHBondContact CD-O 3.18Å; Y57-A77 PolarHBondContact N-O 2.95Å; Y57-A77 VanDerWaalsContact N-O 3.15Å; Y57-A77 PolarHBondContact O-N 3.22Å; A77-E82 HydrophobicContact CB-CB 3.94Å; A77-I83 HydrophobicContact CB-CB 3.77Å; A77-I83 HydrophobicContact CB-CD1 3.9Å; A77-I83 HydrophobicContact CB-CG1 4.38Å
78V69.3Low79.2Confident95 Ų9549.6 Ų49.658%0.57625%0.249SC*.SBendtrans-89.8-38.1177-176.70000110.9P55 P56P55-V78 HydrophobicContact CB-CG2 4.37Å; P56-V78 VanDerWaalsContact CG-O 3.25Å; P56-V78 WeakPolarHBondContact CG-O 3.4Å
79E73.2Confident80.1Confident121 Ų12148.4 Ų48.457%0.56524%0.238SC*.SBendtrans-100.6145.5178.1-61.4-171.2177.800112K81 E82 I83E79-K81 VanDerWaalsContact C-N 3.33Å; E79-K81 PolarHBondContact O-N 3.44Å; E79-E82 HydrophobicContact CB-CB 4.46Å; E79-E82 HydrophobicContact CB-CG 4.06Å; E79-E82 PolarHBondContact O-N 3.27Å; E79-I83 PolarHBondContact O-N 3.09Å
80E78.2Confident80.7Confident86 Ų8643.8 Ų43.840%0.40222%0.216SC..Hα-helixtrans-64.5-39.9179.8-170.1168.8-177.200111.4Y57 E82 I83 E84Y57-E80 HydrophobicContact CE1-CB 4.16Å; Y57-E80 HydrophobicContact CE1-CG 4.04Å; Y57-E80 HydrophobicContact CE2-CB 3.93Å; Y57-E80 PolarHBondContact OH-OE2 3Å; E80-E82 VanDerWaalsContact C-N 3.3Å; E80-E82 PolarHBondContact O-N 2.94Å; E80-I83 VanDerWaalsContact O-CG2 3.24Å; E80-I83 WeakPolarHBondContact O-CG2 3.35Å; E80-I83 PolarHBondContact O-N 3.33Å; E80-E84 WeakPolarHBondContact O-CG 3.26Å; E80-E84 PolarHBondContact O-N 2.8Å
81K77.1Confident81.2Confident147 Ų14744.9 Ų44.964%0.63922%0.223SC*.Hα-helixtrans-60.9-39.4178.7-168.3-179.1176-171.80112.1E79 E84 E85E79-K81 VanDerWaalsContact C-N 3.33Å; E79-K81 PolarHBondContact O-N 3.44Å; K81-E84 PolarHBondContact O-N 2.91Å; K81-E85 PolarHBondContact O-N 2.88Å
82E76.4Confident81.4Confident62 Ų6250.8 Ų50.829%0.2925%0.249SC..Hα-helixtrans-69.7-40179.5-67.4-174.6138.700112.8A77 E79 E80 E84 E85 H86A77-E82 HydrophobicContact CB-CB 3.94Å; E79-E82 HydrophobicContact CB-CB 4.46Å; E79-E82 HydrophobicContact CB-CG 4.06Å; E79-E82 PolarHBondContact O-N 3.27Å; E80-E82 VanDerWaalsContact C-N 3.3Å; E80-E82 PolarHBondContact O-N 2.94Å; E82-E84 VanDerWaalsContact C-N 3.31Å; E82-E85 PolarHBondContact O-N 2.99Å; E82-H86 PolarHBondContact O-N 3.29Å; E82-H86 PolarHBondContact O-ND1 2.78Å
83I84.7Confident81.5Confident0 Ų055.1 Ų55.10%027%0.269CS..Hα-helixtrans-72-30.2177.6-156.967.3000111.4L27 Y57 I59 A75 A77 E79 E80 E85 H86 W87L27-I83 HydrophobicContact CD1-CB 4.11Å; L27-I83 HydrophobicContact CD1-CD1 4.5Å; L27-I83 HydrophobicContact CD1-CG1 3.29Å; L27-I83 HydrophobicContact CD1-CG2 3.75Å; L27-I83 HydrophobicContact CD2-CG2 4.45Å; Y57-I83 HydrophobicContact CD1-CG2 4.06Å; Y57-I83 HydrophobicContact CD2-CG2 4.49Å; Y57-I83 HydrophobicContact CG-CB 4.44Å; Y57-I83 HydrophobicContact CG-CG2 3.8Å; I59-I83 HydrophobicContact CD1-CD1 4.04Å; I59-I83 HydrophobicContact CD1-CG1 4.15Å; I59-I83 HydrophobicContact CG1-CD1 3.93Å; I59-I83 HydrophobicContact CG1-CG1 3.94Å; A75-I83 HydrophobicContact CB-CD1 4.36Å; A77-I83 HydrophobicContact CB-CB 3.77Å; A77-I83 HydrophobicContact CB-CD1 3.9Å; A77-I83 HydrophobicContact CB-CG1 4.38Å; E79-I83 PolarHBondContact O-N 3.09Å; E80-I83 VanDerWaalsContact O-CG2 3.24Å; E80-I83 WeakPolarHBondContact O-CG2 3.35Å; E80-I83 PolarHBondContact O-N 3.33Å; I83-E85 VanDerWaalsContact C-N 3.32Å; I83-H86 PolarHBondContact O-N 2.85Å; I83-W87 WeakPolarHBondContact O-CB 3.37Å; I83-W87 PolarHBondContact O-N 3.44Å
84E84.9Confident81.8Confident63 Ų6354.2 Ų54.229%0.29426%0.263SS..Hα-helixtrans-65.7-35.7176-77.2-167.5143.600112.2K20 E80 K81 E82 W87 N88K20-E84 IonicContact NZ-OE1 3.23Å; K20-E84 PolarHBondContact NZ-OE1 2.86Å; E80-E84 WeakPolarHBondContact O-CG 3.26Å; E80-E84 PolarHBondContact O-N 2.8Å; K81-E84 PolarHBondContact O-N 2.91Å; E82-E84 VanDerWaalsContact C-N 3.31Å; E84-W87 PolarHBondContact O-N 3.48Å; E84-N88 WeakPolarHBondContact O-CB 3.12Å; E84-N88 VanDerWaalsContact O-CG 3.22Å; E84-N88 PolarHBondContact O-N 2.99Å; E84-N88 PolarHBondContact O-ND2 2.86Å; E84-N88 VanDerWaalsContact O-ND2 3.16Å
85E83.3Confident81.9Confident82 Ų8255.1 Ų55.138%0.38327%0.269SS..Hα-helixtrans-63.7-43.3173.1-71.8173.8-173.900111.6M1 K81 E82 I83 W87 N88 H89M1-E85 WeakPolarHBondContact CE-OE2 3.34Å; K81-E85 PolarHBondContact O-N 2.88Å; E82-E85 PolarHBondContact O-N 2.99Å; I83-E85 VanDerWaalsContact C-N 3.32Å; E85-W87 PolarHBondContact O-N 2.98Å; E85-N88 PolarHBondContact O-N 2.69Å; E85-H89 PolarHBondContact O-N 3.3Å
86H82.8Confident82Confident6 Ų658.5 Ų58.53%0.02829%0.291CS..Hα-helixtrans-64.3-39.3173-63.6119.6000112.3W3 I59 A75 E82 I83 H89 V90W3-H86 AromaticContact CE2-CD2 3.76Å; W3-H86 AromaticContact CZ2-CD2 3.98Å; W3-H86 AromaticContact NE1-CD2 3.67Å; I59-H86 HydrophobicContact CD1-CB 3.67Å; A75-H86 HydrophobicContact CB-CB 4.39Å; E82-H86 PolarHBondContact O-N 3.29Å; E82-H86 PolarHBondContact O-ND1 2.78Å; I83-H86 PolarHBondContact O-N 2.85Å; H86-H89 WeakPolarHBondContact O-CB 3.43Å; H86-H89 PolarHBondContact O-N 2.94Å; H86-V90 WeakPolarHBondContact O-CG2 3.49Å; H86-V90 PolarHBondContact O-N 2.8Å
87W90.7Very high82Confident11 Ų1158.8 Ų58.84%0.04230%0.296CS..Hα-helixtrans-62.4-44.5177.1-179.2-103.9000111.4K20 F25 L27 I59 I83 E84 E85 H89 V90 L91K20-W87 HydrophobicContact CB-CZ2 3.8Å; F25-W87 HydrophobicContact CB-CH2 4.09Å; F25-W87 HydrophobicContact CB-CZ3 3.78Å; F25-W87 WeakPolarHBondContact O-CH2 3.4Å; L27-W87 HydrophobicContact CB-CD2 3.95Å; L27-W87 HydrophobicContact CB-CE3 3.7Å; L27-W87 HydrophobicContact CB-CH2 4.43Å; L27-W87 HydrophobicContact CB-CZ3 3.95Å; L27-W87 HydrophobicContact CD2-CB 4.49Å; L27-W87 HydrophobicContact CD2-CG 4.37Å; L27-W87 VanDerWaalsContact N-CZ3 3.32Å; I59-W87 HydrophobicContact CD1-CB 3.97Å; I59-W87 HydrophobicContact CD1-CE3 4.16Å; I59-W87 HydrophobicContact CG1-CE3 4.07Å; I59-W87 HydrophobicContact CG2-CE3 4.07Å; I59-W87 HydrophobicContact CG2-CZ3 4.15Å; I83-W87 WeakPolarHBondContact O-CB 3.37Å; I83-W87 PolarHBondContact O-N 3.44Å; E84-W87 PolarHBondContact O-N 3.48Å; E85-W87 PolarHBondContact O-N 2.98Å; W87-H89 VanDerWaalsContact C-N 3.3Å; W87-H89 PolarHBondContact O-N 3.12Å; W87-V90 PolarHBondContact O-N 3.1Å; W87-L91 HydrophobicContact CZ2-CD2 4.46Å; W87-L91 WeakPolarHBondContact O-CG 3.28Å; W87-L91 PolarHBondContact O-N 2.87Å
88N87.6Confident82.5Confident76 Ų7658.6 Ų58.641%0.40629%0.294SS..Hα-helixtrans-63.5-37.5174.7-69.3-29.9000111.6E84 E85 L91 Q92E84-N88 WeakPolarHBondContact O-CB 3.12Å; E84-N88 VanDerWaalsContact O-CG 3.22Å; E84-N88 PolarHBondContact O-N 2.99Å; E84-N88 PolarHBondContact O-ND2 2.86Å; E84-N88 VanDerWaalsContact O-ND2 3.16Å; E85-N88 PolarHBondContact O-N 2.69Å; N88-L91 PolarHBondContact O-N 3.48Å; N88-Q92 WeakPolarHBondContact O-CB 3.38Å; N88-Q92 VanDerWaalsContact O-CG 3.29Å; N88-Q92 WeakPolarHBondContact O-CG 2.88Å; N88-Q92 PolarHBondContact O-N 3.15Å
89H84.9Confident83.1Confident62 Ų6261 Ų6129%0.28730%0.299SS..Hα-helixtrans-63.1-43174.8-169.187.5000112.3W3 E85 H86 W87 Q92 H93 F94W3-H89 HydrophobicContact CZ2-CB 4.38Å; W3-H89 AromaticContact CZ2-CD2 3.63Å; E85-H89 PolarHBondContact O-N 3.3Å; H86-H89 WeakPolarHBondContact O-CB 3.43Å; H86-H89 PolarHBondContact O-N 2.94Å; W87-H89 VanDerWaalsContact C-N 3.3Å; W87-H89 PolarHBondContact O-N 3.12Å; H89-Q92 PolarHBondContact O-N 3.08Å; H89-H93 AromaticContact CE1-CE1 3.83Å; H89-H93 AromaticContact CE1-CG 3.92Å; H89-H93 AromaticContact CE1-ND1 3.5Å; H89-H93 PolarHBondContact CE1-ND1 3.13Å; H89-H93 AromaticContact CG-ND1 3.8Å; H89-H93 AromaticContact ND1-CE1 3.71Å; H89-H93 AromaticContact ND1-ND1 3.42Å; H89-H93 PolarHBondContact ND1-ND1 3.32Å; H89-H93 AromaticContact NE2-ND1 3.91Å; H89-H93 WeakPolarHBondContact O-CB 3.34Å; H89-H93 PolarHBondContact O-N 3.5Å; H89-H93 PolarHBondContact O-ND1 3.38Å; H89-H93 VanDerWaalsContact O-ND1 3.17Å; H89-F94 AromaticContact CD2-CE2 3.97Å
90V86.3Confident83.4Confident0 Ų059.8 Ų59.80%030%0.302CS..Iπ-helixtrans-59.4-47.7173.7172.20000110.4W3 F25 H86 W87 Q92 F94 V95W3-V90 HydrophobicContact CH2-CG2 3.75Å; W3-V90 HydrophobicContact CZ3-CG2 4.22Å; F25-V90 HydrophobicContact CB-CG1 4.32Å; F25-V90 HydrophobicContact CD1-CG1 4.07Å; F25-V90 HydrophobicContact CD2-CG1 3.49Å; F25-V90 VanDerWaalsContact CD2-CG1 3.49Å; F25-V90 HydrophobicContact CE1-CG1 4.23Å; F25-V90 HydrophobicContact CE2-CG1 3.68Å; F25-V90 HydrophobicContact CG-CG1 3.7Å; F25-V90 HydrophobicContact CZ-CG1 4.06Å; H86-V90 WeakPolarHBondContact O-CG2 3.49Å; H86-V90 PolarHBondContact O-N 2.8Å; W87-V90 PolarHBondContact O-N 3.1Å; V90-Q92 VanDerWaalsContact C-N 3.33Å; V90-Q92 PolarHBondContact O-N 3.12Å; V90-F94 HydrophobicContact CG1-CB 4.06Å; V90-F94 WeakPolarHBondContact O-CA 3.44Å; V90-F94 VanDerWaalsContact O-CB 3.24Å; V90-F94 WeakPolarHBondContact O-CB 3.38Å; V90-F94 PolarHBondContact O-N 3.43Å; V90-V95 PolarHBondContact O-N 2.88Å
91L85Confident83.6Confident65 Ų6558.6 Ų58.634%0.3430%0.298SS..Iπ-helixtrans-65-34.9-179.9-67.8-178.3000113.4W87 N88 V95 P96W87-L91 HydrophobicContact CZ2-CD2 4.46Å; W87-L91 WeakPolarHBondContact O-CG 3.28Å; W87-L91 PolarHBondContact O-N 2.87Å; N88-L91 PolarHBondContact O-N 3.48Å; L91-V95 HydrophobicContact CD2-CG2 3.92Å; L91-P96 WeakPolarHBondContact O-CD 3.33Å
92Q83.8Confident83.3Confident133 Ų13359.9 Ų59.962%0.62131%0.307SS*.Iπ-helixtrans-83.6-32.2-177.3-71.7175.22.400113.7N88 H89 V90 P96N88-Q92 WeakPolarHBondContact O-CB 3.38Å; N88-Q92 VanDerWaalsContact O-CG 3.29Å; N88-Q92 WeakPolarHBondContact O-CG 2.88Å; N88-Q92 PolarHBondContact O-N 3.15Å; H89-Q92 PolarHBondContact O-N 3.08Å; V90-Q92 VanDerWaalsContact C-N 3.33Å; V90-Q92 PolarHBondContact O-N 3.12Å; Q92-P96 WeakPolarHBondContact O-CG 3.43Å
93H83.5Confident83.4Confident95 Ų9563.6 Ų63.644%0.4432%0.322SS..Iπ-helixtrans-118.5-28.8-169.9-57.688.1000114H89H89-H93 AromaticContact CE1-CE1 3.83Å; H89-H93 AromaticContact CE1-CG 3.92Å; H89-H93 AromaticContact CE1-ND1 3.5Å; H89-H93 PolarHBondContact CE1-ND1 3.13Å; H89-H93 AromaticContact CG-ND1 3.8Å; H89-H93 AromaticContact ND1-CE1 3.71Å; H89-H93 AromaticContact ND1-ND1 3.42Å; H89-H93 PolarHBondContact ND1-ND1 3.32Å; H89-H93 AromaticContact NE2-ND1 3.91Å; H89-H93 WeakPolarHBondContact O-CB 3.34Å; H89-H93 PolarHBondContact O-N 3.5Å; H89-H93 PolarHBondContact O-ND1 3.38Å; H89-H93 VanDerWaalsContact O-ND1 3.17Å
94F86.4Confident83Confident1 Ų167.5 Ų67.50%0.00434%0.34CS..Iπ-helixtrans-90.4-51.1-179.5-73.7-118.4000110.3W3 F25 H89 V90 A97 I98 V111 K114 V115 L118W3-F94 HydrophobicContact CH2-CE2 4.27Å; W3-F94 HydrophobicContact CH2-CZ 4.44Å; F25-F94 HydrophobicContact CE2-CB 4.3Å; F25-F94 HydrophobicContact CZ-CB 4.17Å; F25-F94 HydrophobicContact CZ-CD1 4.41Å; H89-F94 AromaticContact CD2-CE2 3.97Å; V90-F94 HydrophobicContact CG1-CB 4.06Å; V90-F94 WeakPolarHBondContact O-CA 3.44Å; V90-F94 VanDerWaalsContact O-CB 3.24Å; V90-F94 WeakPolarHBondContact O-CB 3.38Å; V90-F94 PolarHBondContact O-N 3.43Å; F94-A97 PolarHBondContact O-N 3.28Å; F94-A97 VanDerWaalsContact O-N 3.16Å; F94-I98 WeakPolarHBondContact O-CG1 3.22Å; F94-I98 WeakPolarHBondContact O-CG2 3.33Å; F94-I98 PolarHBondContact O-N 2.83Å; F94-I98 VanDerWaalsContact O-N 3.08Å; F94-V111 HydrophobicContact CD1-CG2 4.41Å; F94-K114 HydrophobicContact CE1-CB 4.01Å; F94-K114 HydrophobicContact CE1-CG 4.05Å; F94-K114 HydrophobicContact CE2-CG 4.28Å; F94-K114 HydrophobicContact CZ-CB 4.06Å; F94-K114 HydrophobicContact CZ-CG 3.66Å; F94-V115 HydrophobicContact CE1-CG2 3.67Å; F94-V115 HydrophobicContact CZ-CG2 3.89Å; F94-L118 HydrophobicContact CE2-CD1 3.95Å; F94-L118 HydrophobicContact CZ-CD1 3.78Å
95V84Confident82.6Confident19 Ų1972.3 Ų72.312%0.11536%0.36CS..Hα-helixtrans-58.3-47.8-175.61780000113.2F25 V90 L91 A97 I98 E99F25-V95 HydrophobicContact CD2-CG2 4.22Å; F25-V95 HydrophobicContact CE2-CG2 4.13Å; V90-V95 PolarHBondContact O-N 2.88Å; L91-V95 HydrophobicContact CD2-CG2 3.92Å; V95-A97 VanDerWaalsContact C-N 3.25Å; V95-A97 PolarHBondContact O-N 3.44Å; V95-I98 VanDerWaalsContact O-CG1 3.26Å; V95-I98 WeakPolarHBondContact O-CG1 3.47Å; V95-I98 PolarHBondContact O-N 2.82Å; V95-E99 HydrophobicContact CG1-CG 4.33Å; V95-E99 WeakPolarHBondContact O-CG 3.41Å; V95-E99 PolarHBondContact O-N 2.88Å; V95-E99 VanDerWaalsContact O-N 3.1Å
96P83Confident82.5Confident71 Ų7172 Ų7246%0.46136%0.361SS..Hα-helixtrans-68.1-24.7179.9-21.635.4000113.6L91 Q92 P100L91-P96 WeakPolarHBondContact O-CD 3.33Å; Q92-P96 WeakPolarHBondContact O-CG 3.43Å; P96-P100 WeakPolarHBondContact O-CD 3.27Å
97A81.8Confident82.4Confident35 Ų3571.8 Ų71.829%0.28936%0.36SS..Hα-helixtrans-82.5-25.5179.600000112.8F94 V95 Y110F94-A97 PolarHBondContact O-N 3.28Å; F94-A97 VanDerWaalsContact O-N 3.16Å; V95-A97 VanDerWaalsContact C-N 3.25Å; V95-A97 PolarHBondContact O-N 3.44Å; A97-Y110 HydrophobicContact CB-CE1 3.75Å; A97-Y110 VanDerWaalsContact CB-OH 3.31Å; A97-Y110 WeakPolarHBondContact CB-OH 3.32Å
98I86.2Confident81.9Confident0 Ų074.1 Ų74.10%037%0.369CS..Hα-helixtrans-92.8-27.4179.265.5-178.5000113.4Y24 F25 F94 V95 P100 L101 V107 Y110 V111Y24-I98 HydrophobicContact CD2-CD1 3.46Å; Y24-I98 VanDerWaalsContact CD2-CD1 3.46Å; Y24-I98 HydrophobicContact CD2-CG1 4.28Å; Y24-I98 HydrophobicContact CE2-CD1 4.08Å; Y24-I98 HydrophobicContact CE2-CG1 4.46Å; Y24-I98 HydrophobicContact CG-CD1 4.06Å; F25-I98 HydrophobicContact CE2-CD1 3.6Å; F25-I98 HydrophobicContact CZ-CD1 4.02Å; F94-I98 WeakPolarHBondContact O-CG1 3.22Å; F94-I98 WeakPolarHBondContact O-CG2 3.33Å; F94-I98 PolarHBondContact O-N 2.83Å; F94-I98 VanDerWaalsContact O-N 3.08Å; V95-I98 VanDerWaalsContact O-CG1 3.26Å; V95-I98 WeakPolarHBondContact O-CG1 3.47Å; V95-I98 PolarHBondContact O-N 2.82Å; I98-P100 VanDerWaalsContact C-N 3.33Å; I98-L101 HydrophobicContact CG2-CD1 4.49Å; I98-L101 WeakPolarHBondContact O-CB 3.28Å; I98-L101 PolarHBondContact O-N 3.4Å; I98-V107 HydrophobicContact CB-CG1 3.96Å; I98-V107 HydrophobicContact CB-CG2 4.43Å; I98-V107 HydrophobicContact CD1-CG1 4.37Å; I98-V107 HydrophobicContact CG2-CG1 3.93Å; I98-Y110 HydrophobicContact CG2-CD1 3.68Å; I98-Y110 HydrophobicContact CG2-CE1 4.13Å; I98-V111 HydrophobicContact CG2-CG2 4.13Å
99E80.6Confident81.6Confident145 Ų14579.2 Ų79.268%0.67838%0.383SS*.THydrogen-bonded Turntrans-54.1-35.5179-85.1-178.4173.600115.4V95 L101V95-E99 HydrophobicContact CG1-CG 4.33Å; V95-E99 WeakPolarHBondContact O-CG 3.41Å; V95-E99 PolarHBondContact O-N 2.88Å; V95-E99 VanDerWaalsContact O-N 3.1Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 3.04Å
100P79.8Confident81.6Confident97 Ų9780.1 Ų80.163%0.6338%0.384SS*.THydrogen-bonded Turntrans-76.2-13176.7-13.828.9000114.3P96 I98P96-P100 WeakPolarHBondContact O-CD 3.27Å; I98-P100 VanDerWaalsContact C-N 3.33Å
101L83.1Confident81.4Confident61 Ų6180.1 Ų80.132%0.31938%0.384SS..  trans-80.9124.9-174.4-59.8176.3000110.4I98 E99 V107I98-L101 HydrophobicContact CG2-CD1 4.49Å; I98-L101 WeakPolarHBondContact O-CB 3.28Å; I98-L101 PolarHBondContact O-N 3.4Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 3.04Å; L101-V107 HydrophobicContact CB-CG2 3.71Å; L101-V107 HydrophobicContact CD1-CG2 4Å; L101-V107 HydrophobicContact CG-CG2 4.49Å
102Q71.3Confident81.2Confident174 Ų17478.5 Ų78.581%0.81338%0.377SS*.  trans-86.3-21.9-174.5-64.6-174.40.600114
103F78Confident80.9Confident139 Ų13975.9 Ų75.961%0.6137%0.37SS*.  trans-113.5131.6-178.2-58.3-74000111.9K105 D106 V107F103-K105 PolarHBondContact O-N 3.39Å; F103-D106 PolarHBondContact O-N 2.88Å; F103-V107 PolarHBondContact O-N 3.16Å
104E76.1Confident80.8Confident82 Ų8275.7 Ų75.738%0.38337%0.368SS..Hα-helixtrans-62.1-28.9-178.2-171159.4-162.900113.3F63 D64 D106 V107 R108F63-E104 HydrophobicContact CB-CG 4.41Å; F63-E104 VanDerWaalsContact CB-OE1 3.26Å; F63-E104 WeakPolarHBondContact CB-OE1 3.46Å; D64-E104 PolarHBondContact N-OE1 2.84Å; D64-E104 VanDerWaalsContact N-OE1 3.13Å; E104-D106 VanDerWaalsContact C-N 3.32Å; E104-D106 PolarHBondContact O-N 2.81Å; E104-V107 PolarHBondContact O-N 2.98Å; E104-R108 WeakPolarHBondContact O-CB 3.39Å; E104-R108 PolarHBondContact O-N 3.5Å
105K76.7Confident80.5Confident164 Ų16475.7 Ų75.771%0.71337%0.368SS*.Hα-helixtrans-63.6-36.3173.7-169.5175.2-177.9175.20112.6F103 R109F103-K105 PolarHBondContact O-N 3.39Å; K105-R109 WeakPolarHBondContact O-CB 3.3Å; K105-R109 PolarHBondContact O-N 3.41Å; K105-R109 VanDerWaalsContact O-N 3.1Å
106D80.6Confident80.1Confident76 Ų7679 Ų7941%0.40638%0.382SS..Hα-helixtrans-76.2-38.5179.4-63.8-31.9000110.9F103 E104 R109 Y110F103-D106 PolarHBondContact O-N 2.88Å; E104-D106 VanDerWaalsContact C-N 3.32Å; E104-D106 PolarHBondContact O-N 2.81Å; D106-R109 PolarHBondContact O-N 3.3Å; D106-Y110 WeakPolarHBondContact O-CB 3.48Å; D106-Y110 PolarHBondContact O-N 3.44Å
107V81.6Confident79.7Confident1 Ų178.2 Ų78.21%0.00638%0.378CS..Hα-helixtrans-58.8-50.2171.7179.20000110.3Y61 I98 L101 F103 E104 R109 Y110 V111Y61-V107 HydrophobicContact CE2-CG1 4.17Å; Y61-V107 WeakPolarHBondContact OH-CG1 3.47Å; I98-V107 HydrophobicContact CB-CG1 3.96Å; I98-V107 HydrophobicContact CB-CG2 4.43Å; I98-V107 HydrophobicContact CD1-CG1 4.37Å; I98-V107 HydrophobicContact CG2-CG1 3.93Å; L101-V107 HydrophobicContact CB-CG2 3.71Å; L101-V107 HydrophobicContact CD1-CG2 4Å; L101-V107 HydrophobicContact CG-CG2 4.49Å; F103-V107 PolarHBondContact O-N 3.16Å; E104-V107 PolarHBondContact O-N 2.98Å; V107-R109 PolarHBondContact O-N 3.21Å; V107-Y110 PolarHBondContact O-N 3.4Å; V107-V111 HydrophobicContact CG1-CG2 4.34Å; V107-V111 WeakPolarHBondContact O-CG2 3.4Å; V107-V111 PolarHBondContact O-N 2.9Å
108R80.8Confident79.4Confident60 Ų6078.5 Ų78.523%0.22638%0.375CS..Hα-helixtrans-56.6-49.7178.6-172.8-171.9-54168.26.6111.4Y61 F63 D65 E104 Y110 V111 T112Y61-R108 HydrophobicContact CE1-CB 4.41Å; Y61-R108 HydrophobicContact CE1-CG 4.32Å; F63-R108 HydrophobicContact CE1-CG 4.5Å; D65-R108 VanDerWaalsContact CG-NH2 3.27Å; D65-R108 IonicContact OD1-NH2 3.72Å; D65-R108 IonicContact OD2-CZ 3.25Å; D65-R108 VanDerWaalsContact OD2-CZ 3.25Å; D65-R108 IonicContact OD2-NH1 2.75Å; D65-R108 PolarHBondContact OD2-NH1 2.87Å; D65-R108 IonicContact OD2-NH2 2.91Å; D65-R108 PolarHBondContact OD2-NH2 3.31Å; E104-R108 WeakPolarHBondContact O-CB 3.39Å; E104-R108 PolarHBondContact O-N 3.5Å; R108-Y110 VanDerWaalsContact C-N 3.32Å; R108-Y110 PolarHBondContact O-N 3.13Å; R108-V111 PolarHBondContact O-N 3Å; R108-T112 PolarHBondContact O-N 3.48Å; R108-T112 PolarHBondContact O-OG1 2.86Å
109R79.6Confident78.6Confident183 Ų18379 Ų7969%0.69138%0.379SS*.Hα-helixtrans-61.6-40.8180-174176.9-177.1178.61.2111.8K105 D106 V107 T112 T113K105-R109 WeakPolarHBondContact O-CB 3.3Å; K105-R109 PolarHBondContact O-N 3.41Å; K105-R109 VanDerWaalsContact O-N 3.1Å; D106-R109 PolarHBondContact O-N 3.3Å; V107-R109 PolarHBondContact O-N 3.21Å; R109-T112 PolarHBondContact O-OG1 2.65Å; R109-T113 VanDerWaalsContact O-CB 3.28Å; R109-T113 WeakPolarHBondContact O-CB 3.39Å; R109-T113 PolarHBondContact O-N 2.81Å; R109-T113 PolarHBondContact O-OG1 2.93Å
110Y84.9Confident77.8Confident81 Ų8176.2 Ų76.232%0.31837%0.369SS..Hα-helixtrans-63.3-50.1177.1178.1-96.1000111.3A97 I98 D106 V107 R108 K114A97-Y110 HydrophobicContact CB-CE1 3.75Å; A97-Y110 VanDerWaalsContact CB-OH 3.31Å; A97-Y110 WeakPolarHBondContact CB-OH 3.32Å; I98-Y110 HydrophobicContact CG2-CD1 3.68Å; I98-Y110 HydrophobicContact CG2-CE1 4.13Å; D106-Y110 WeakPolarHBondContact O-CB 3.48Å; D106-Y110 PolarHBondContact O-N 3.44Å; V107-Y110 PolarHBondContact O-N 3.4Å; R108-Y110 VanDerWaalsContact C-N 3.32Å; R108-Y110 PolarHBondContact O-N 3.13Å; Y110-K114 WeakPolarHBondContact O-CB 3.44Å; Y110-K114 PolarHBondContact O-N 3.09Å
111V82.8Confident76.7Confident0 Ų078 Ų780%037%0.373CS..Hα-helixtrans-62.2-49.3-177.4173.20000111.5F25 Y61 L74 F94 I98 V107 R108 K114 V115F25-V111 HydrophobicContact CE1-CG1 3.99Å; F25-V111 HydrophobicContact CE1-CG2 4.33Å; F25-V111 HydrophobicContact CZ-CG1 4.4Å; F25-V111 HydrophobicContact CZ-CG2 3.95Å; Y61-V111 HydrophobicContact CD1-CG1 4.37Å; Y61-V111 HydrophobicContact CD2-CG1 4.29Å; Y61-V111 HydrophobicContact CD2-CG2 4.46Å; Y61-V111 HydrophobicContact CE2-CG2 4.21Å; Y61-V111 HydrophobicContact CG-CG1 4.12Å; L74-V111 HydrophobicContact CD1-CG1 3.78Å; L74-V111 HydrophobicContact CD2-CG1 4.06Å; F94-V111 HydrophobicContact CD1-CG2 4.41Å; I98-V111 HydrophobicContact CG2-CG2 4.13Å; V107-V111 HydrophobicContact CG1-CG2 4.34Å; V107-V111 WeakPolarHBondContact O-CG2 3.4Å; V107-V111 PolarHBondContact O-N 2.9Å; R108-V111 PolarHBondContact O-N 3Å; V111-K114 PolarHBondContact O-N 3.21Å; V111-V115 WeakPolarHBondContact O-CG2 3.42Å; V111-V115 PolarHBondContact O-N 3.3Å
112T79.9Confident75.3Confident32 Ų3277.9 Ų77.920%0.19638%0.378CS..Hα-helixtrans-64.3-47.7-179510000112P6 I72 R108 R109 K114 V115 E116P6-T112 HydrophobicContact CB-CG2 4.05Å; P6-T112 HydrophobicContact CG-CG2 4.16Å; I72-T112 HydrophobicContact CD1-CG2 4.48Å; R108-T112 PolarHBondContact O-N 3.48Å; R108-T112 PolarHBondContact O-OG1 2.86Å; R109-T112 PolarHBondContact O-OG1 2.65Å; T112-K114 VanDerWaalsContact C-N 3.3Å; T112-K114 PolarHBondContact O-N 2.81Å; T112-V115 PolarHBondContact O-N 2.92Å; T112-E116 WeakPolarHBondContact O-CB 3.34Å; T112-E116 WeakPolarHBondContact O-CG 3.44Å; T112-E116 PolarHBondContact O-N 3.08Å
113T78.4Confident74.2Confident78 Ų7876.3 Ų76.348%0.47937%0.37SS..Hα-helixtrans-61.4-40.1179.5-500000111.7R109 S117R109-T113 VanDerWaalsContact O-CB 3.28Å; R109-T113 WeakPolarHBondContact O-CB 3.39Å; R109-T113 PolarHBondContact O-N 2.81Å; R109-T113 PolarHBondContact O-OG1 2.93Å; T113-S117 PolarHBondContact O-N 3.33Å; T113-S117 VanDerWaalsContact O-N 3.11Å
114K81.6Confident72.2Confident91 Ų9178.6 Ų78.640%0.39638%0.383SS..Hα-helixtrans-71.4-41-178.1-167.164.5172.2178.40111.9F94 Y110 V111 T112 S117 L118F94-K114 HydrophobicContact CE1-CB 4.01Å; F94-K114 HydrophobicContact CE1-CG 4.05Å; F94-K114 HydrophobicContact CE2-CG 4.28Å; F94-K114 HydrophobicContact CZ-CB 4.06Å; F94-K114 HydrophobicContact CZ-CG 3.66Å; Y110-K114 WeakPolarHBondContact O-CB 3.44Å; Y110-K114 PolarHBondContact O-N 3.09Å; V111-K114 PolarHBondContact O-N 3.21Å; T112-K114 VanDerWaalsContact C-N 3.3Å; T112-K114 PolarHBondContact O-N 2.81Å; K114-S117 PolarHBondContact O-N 2.75Å; K114-L118 WeakPolarHBondContact O-CG 3.48Å; K114-L118 PolarHBondContact O-N 2.94Å; K114-L118 VanDerWaalsContact O-N 3.08Å
115V80.1Confident70.1Confident0 Ų081.5 Ų81.50%041%0.406CS..Hα-helixtrans-66.6-40.1175.6171.30000111.6W3 V4 P6 L74 F94 V111 T112 S117 L118 A119W3-V115 HydrophobicContact CE3-CG1 4.08Å; W3-V115 HydrophobicContact CE3-CG2 4.09Å; W3-V115 HydrophobicContact CZ3-CG2 4.03Å; V4-V115 VanDerWaalsContact O-CG1 3.27Å; V4-V115 WeakPolarHBondContact O-CG1 3.3Å; P6-V115 HydrophobicContact CG-CB 4.35Å; P6-V115 HydrophobicContact CG-CG1 4.22Å; L74-V115 HydrophobicContact CB-CG1 4.47Å; L74-V115 HydrophobicContact CB-CG2 4.28Å; L74-V115 HydrophobicContact CD1-CG2 4.27Å; L74-V115 HydrophobicContact CD2-CG2 4.11Å; L74-V115 HydrophobicContact CG-CG2 4.46Å; F94-V115 HydrophobicContact CE1-CG2 3.67Å; F94-V115 HydrophobicContact CZ-CG2 3.89Å; V111-V115 WeakPolarHBondContact O-CG2 3.42Å; V111-V115 PolarHBondContact O-N 3.3Å; T112-V115 PolarHBondContact O-N 2.92Å; V115-S117 VanDerWaalsContact C-N 3.31Å; V115-S117 PolarHBondContact O-N 3.42Å; V115-L118 PolarHBondContact O-N 3.23Å; V115-L118 VanDerWaalsContact O-N 3.15Å; V115-A119 WeakPolarHBondContact O-CB 3.29Å; V115-A119 PolarHBondContact O-N 2.94Å
116E75.6Confident68Low89 Ų8979 Ų7942%0.41640%0.404SS..Hα-helixtrans-60.3-40.9174.2-75.9178.7171.800112.4P6 T112 L118 A119 N120P6-E116 VanDerWaalsContact CD-CG 3.43Å; P6-E116 HydrophobicContact CG-CG 3.98Å; T112-E116 WeakPolarHBondContact O-CB 3.34Å; T112-E116 WeakPolarHBondContact O-CG 3.44Å; T112-E116 PolarHBondContact O-N 3.08Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.12Å; E116-A119 PolarHBondContact O-N 3.02Å; E116-N120 VanDerWaalsContact O-CG 3.28Å; E116-N120 PolarHBondContact O-N 3.01Å; E116-N120 VanDerWaalsContact O-N 3.13Å; E116-N120 PolarHBondContact O-ND2 2.97Å
117S73.9Confident65.7Low54 Ų5478.7 Ų78.738%0.37841%0.408SS..Hα-helixtrans-63.9-38.2174.7178.20000112.4T113 K114 V115 N121T113-S117 PolarHBondContact O-N 3.33Å; T113-S117 VanDerWaalsContact O-N 3.11Å; K114-S117 PolarHBondContact O-N 2.75Å; V115-S117 VanDerWaalsContact C-N 3.31Å; V115-S117 PolarHBondContact O-N 3.42Å; S117-N121 PolarHBondContact O-N 3.18Å
118L75.1Confident63.3Low41 Ų4184.3 Ų84.322%0.21544%0.444CS..Hα-helixtrans-71.8-36.7178-70171000112W3 F94 K114 V115 E116 N121W3-L118 HydrophobicContact CB-CB 4.28Å; W3-L118 HydrophobicContact CD2-CB 4.21Å; W3-L118 HydrophobicContact CD2-CD1 4.15Å; W3-L118 HydrophobicContact CG-CB 3.88Å; W3-L118 HydrophobicContact CH2-CD1 4.39Å; W3-L118 HydrophobicContact CZ2-CD1 4.03Å; F94-L118 HydrophobicContact CE2-CD1 3.95Å; F94-L118 HydrophobicContact CZ-CD1 3.78Å; K114-L118 WeakPolarHBondContact O-CG 3.48Å; K114-L118 PolarHBondContact O-N 2.94Å; K114-L118 VanDerWaalsContact O-N 3.08Å; V115-L118 PolarHBondContact O-N 3.23Å; V115-L118 VanDerWaalsContact O-N 3.15Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.12Å; L118-N121 PolarHBondContact O-N 3.47Å
119A69.2Low61.1Low10 Ų1091.7 Ų91.78%0.08347%0.474CS..Hα-helixtrans-63.5-43.6175.900000111.7W3 K5 V115 E116 N121 S122W3-A119 HydrophobicContact CB-CB 4.21Å; K5-A119 HydrophobicContact CG-CB 4.43Å; V115-A119 WeakPolarHBondContact O-CB 3.29Å; V115-A119 PolarHBondContact O-N 2.94Å; E116-A119 PolarHBondContact O-N 3.02Å; A119-N121 VanDerWaalsContact C-N 3.34Å; A119-N121 PolarHBondContact O-N 2.97Å; A119-S122 PolarHBondContact O-N 3.05Å; A119-S122 PolarHBondContact O-OG 3.27Å
120N65.4Low59Low87 Ų8784.2 Ų84.247%0.46545%0.45SS..Hα-helixtrans-69.6-27.7-179-66.3-21.8000113.5K5 E116 S122K5-N120 WeakPolarHBondContact CE-OD1 3.46Å; E116-N120 VanDerWaalsContact O-CG 3.28Å; E116-N120 PolarHBondContact O-N 3.01Å; E116-N120 VanDerWaalsContact O-N 3.13Å; E116-N120 PolarHBondContact O-ND2 2.97Å; N120-S122 VanDerWaalsContact C-N 3.29Å; N120-S122 PolarHBondContact O-N 3.22Å
121N56.7Low56.7Low134 Ų13489.4 Ų89.472%0.71748%0.477SS*.THydrogen-bonded Turntrans-82.7-2.8178-73.1-8.5000113.5S117 L118 A119S117-N121 PolarHBondContact O-N 3.18Å; L118-N121 PolarHBondContact O-N 3.47Å; A119-N121 VanDerWaalsContact C-N 3.34Å; A119-N121 PolarHBondContact O-N 2.97Å
122S53.1Low54.8Low60 Ų6095.3 Ų95.342%0.4250%0.504SS..THydrogen-bonded Turntrans-96.61.5-179.467.20000114.5A119 N120A119-S122 PolarHBondContact O-N 3.05Å; A119-S122 PolarHBondContact O-OG 3.27Å; N120-S122 VanDerWaalsContact C-N 3.29Å; N120-S122 PolarHBondContact O-N 3.22Å
123E48.1Very low53Low141 Ų14195.6 Ų95.666%0.65950%0.504SS*.  trans-9895.8174.2-70-174.2162.300110.7
124E35.8Very low51.4Low186 Ų18696.2 Ų96.287%0.86951%0.505SS*.  trans-134145.4163-97.3-170.6172.800112.8
125V32.3Very low49.6Very low144 Ų14494 Ų9487%0.87350%0.5SS*.  trans87102.3-179.3-163.30000116
126V32.3Very low47.6Very low111 Ų11199.1 Ų99.167%0.67353%0.532SS*.  trans-131.5130.5178.3176.80000110.3S130V126-S130 WeakPolarHBondContact CG1-OG 3.3Å
127S31.8Very low46Very low70 Ų7098.3 Ų98.349%0.4954%0.536SS..  trans-73.7147.5173.51610000111.6Y129 S130S127-Y129 PolarHBondContact O-N 3.34Å; S127-S130 PolarHBondContact O-N 3.1Å; S127-S130 PolarHBondContact O-OG 3.32Å
128P31.5Very low44.7Very low119 Ų11997.3 Ų97.377%0.77353%0.527SS*.THydrogen-bonded Turntrans-59.6-9.6-176.1-2030.9000115.8
129Y34.6Very low43.6Very low214 Ų214100.1 Ų100.184%0.83954%0.535SS*.THydrogen-bonded Turntrans-88.57.4-177-71.9-83.7000115.1S127S127-Y129 PolarHBondContact O-N 3.34Å
130S35.9Very low42.9Very low27 Ų27102.5 Ų102.519%0.18955%0.551CS.*  trans-122.311.1-163.760.60000116V126 S127 E132V126-S130 WeakPolarHBondContact CG1-OG 3.3Å; S127-S130 PolarHBondContact O-N 3.1Å; S127-S130 PolarHBondContact O-OG 3.32Å; S130-E132 PolarHBondContact O-N 3.24Å
131E37Very low42.6Very low189 Ų18998.9 Ų98.988%0.88353%0.533SS*.THydrogen-bonded Turntrans-69-11.2173.5-70.8-171.7161.500113.7
132E42.1Very low43Very low125 Ų12594.7 Ų94.758%0.58451%0.51SS*.THydrogen-bonded Turntrans-94.34.9-171.4-66.4-166.515700116S130 R267S130-E132 PolarHBondContact O-N 3.24Å; E132-R267 IonicContact OE1-CZ 3.72Å; E132-R267 IonicContact OE1-NE 2.73Å; E132-R267 IonicContact OE1-NH2 2.7Å; E132-R267 PolarHBondContact OE1-NH2 2.91Å
133L42.3Very low43.4Very low37 Ų3796.9 Ų96.919%0.19451%0.514CS..  trans-128.7112.9-171.1-67.6170000114.1S135 T138 R139 L142L133-S135 VanDerWaalsContact C-N 3.31Å; L133-S135 PolarHBondContact O-N 3.02Å; L133-T138 HydrophobicContact CD1-CG2 4.46Å; L133-T138 HydrophobicContact CD2-CG2 3.69Å; L133-R139 HydrophobicContact CB-CG 4.33Å; L133-R139 PolarHBondContact O-NH2 2.93Å; L133-L142 HydrophobicContact CD1-CD2 3.73Å
134D45Very low44.3Very low92 Ų9295.4 Ų95.449%0.49251%0.505SS..  trans-73.1-1.6-172.6-77.4-17.8000115.7T282D134-T282 PolarHBondContact OD2-N 3.25Å
135S43.5Very low46Very low43 Ų4386.6 Ų86.630%0.30146%0.464SS..  trans-147143.7-179.195.90000115.6L133 S137 T138 R139L133-S135 VanDerWaalsContact C-N 3.31Å; L133-S135 PolarHBondContact O-N 3.02Å; S135-S137 PolarHBondContact O-N 2.85Å; S135-S137 PolarHBondContact OG-OG 2.78Å; S135-T138 PolarHBondContact O-N 2.95Å; S135-T138 VanDerWaalsContact O-N 3.13Å; S135-T138 PolarHBondContact OG-N 3.49Å; S135-T138 PolarHBondContact OG-OG1 3.29Å; S135-R139 PolarHBondContact O-N 2.89Å
136V38.6Very low47.9Very low108 Ų10882.5 Ų82.566%0.65544%0.435SS*.Hα-helixtrans-58.3-31.7177.2177.90000112.2S140V136-S140 PolarHBondContact O-N 2.86Å
137S42.8Very low49.6Very low72 Ų7284.6 Ų84.650%0.50344%0.435SS..Hα-helixtrans-71.8-34.117883.40000112.4S135 C141S135-S137 PolarHBondContact O-N 2.85Å; S135-S137 PolarHBondContact OG-OG 2.78Å; S137-C141 WeakPolarHBondContact O-CB 3.48Å; S137-C141 PolarHBondContact O-N 3.42Å; S137-C141 VanDerWaalsContact O-N 3.08Å
138T46.4Very low51.5Low33 Ų3382.4 Ų82.420%0.20242%0.42CS..Hα-helixtrans-71.2-35.2178.8-40.30000111.8L133 S135 C141 L142L133-T138 HydrophobicContact CD1-CG2 4.46Å; L133-T138 HydrophobicContact CD2-CG2 3.69Å; S135-T138 PolarHBondContact O-N 2.95Å; S135-T138 VanDerWaalsContact O-N 3.13Å; S135-T138 PolarHBondContact OG-N 3.49Å; S135-T138 PolarHBondContact OG-OG1 3.29Å; T138-C141 WeakPolarHBondContact O-CB 3.35Å; T138-C141 PolarHBondContact O-N 3.21Å; T138-L142 WeakPolarHBondContact O-CB 3.42Å; T138-L142 PolarHBondContact O-N 2.96Å
139R51.8Low53.7Low100 Ų10077.3 Ų77.338%0.37739%0.385SS..Hα-helixtrans-65-46.7174.8-66.1-176.6-170.8151.22.7112.2L133 S135 C141 L142 E143L133-R139 HydrophobicContact CB-CG 4.33Å; L133-R139 PolarHBondContact O-NH2 2.93Å; S135-R139 PolarHBondContact O-N 2.89Å; R139-C141 VanDerWaalsContact C-N 3.25Å; R139-C141 PolarHBondContact O-N 2.92Å; R139-L142 PolarHBondContact O-N 2.95Å; R139-E143 PolarHBondContact O-N 2.83Å
140S53.6Low55.3Low60 Ų6069.9 Ų69.942%0.4237%0.365SS..Hα-helixtrans-62.1-33.9174.7-175.70000112.5V136 K144V136-S140 PolarHBondContact O-N 2.86Å; S140-K144 VanDerWaalsContact O-CG 3.28Å; S140-K144 WeakPolarHBondContact O-CG 3.41Å; S140-K144 PolarHBondContact O-N 3.42Å; S140-K144 VanDerWaalsContact O-N 3.14Å
141C59.7Low57Low11 Ų1169.2 Ų69.27%0.07436%0.359CS..Hα-helixtrans-70.5-42.1176.6-160.20000112.4S137 T138 R139 K144 F145 Y160 F177S137-C141 WeakPolarHBondContact O-CB 3.48Å; S137-C141 PolarHBondContact O-N 3.42Å; S137-C141 VanDerWaalsContact O-N 3.08Å; T138-C141 WeakPolarHBondContact O-CB 3.35Å; T138-C141 PolarHBondContact O-N 3.21Å; R139-C141 VanDerWaalsContact C-N 3.25Å; R139-C141 PolarHBondContact O-N 2.92Å; C141-K144 WeakPolarHBondContact O-CB 2.97Å; C141-K144 PolarHBondContact O-N 3.26Å; C141-F145 PolarHBondContact O-N 2.79Å; C141-Y160 HydrophobicContact CB-CE1 4.31Å; C141-F177 WeakPolarHBondContact SG-CE1 3.1Å
142L63.9Low58.4Low47 Ų4760.5 Ų60.525%0.24632%0.319CS..Hα-helixtrans-65.3-42.5176.6-175.867.3000111.6L133 T138 R139 K144 F145 H146 L157L133-L142 HydrophobicContact CD1-CD2 3.73Å; T138-L142 WeakPolarHBondContact O-CB 3.42Å; T138-L142 PolarHBondContact O-N 2.96Å; R139-L142 PolarHBondContact O-N 2.95Å; L142-K144 VanDerWaalsContact C-N 3.3Å; L142-K144 PolarHBondContact O-N 3.48Å; L142-F145 HydrophobicContact CD1-CD1 4.38Å; L142-F145 WeakPolarHBondContact O-CB 3.27Å; L142-F145 PolarHBondContact O-N 2.92Å; L142-F145 VanDerWaalsContact O-N 3.12Å; L142-H146 PolarHBondContact O-CD2 3.45Å; L142-H146 PolarHBondContact O-N 2.51Å; L142-L157 HydrophobicContact CD1-CB 3.83Å; L142-L157 HydrophobicContact CD1-CD2 3.98Å
143E62.4Low59.3Low105 Ų10559.7 Ų59.749%0.49132%0.324SS..Hα-helixtrans-60.7-40.9173.3-77.2-171.3-152.400112.1R139 F145 K147R139-E143 PolarHBondContact O-N 2.83Å; E143-F145 VanDerWaalsContact C-N 3.31Å; E143-F145 PolarHBondContact O-N 3.44Å; E143-K147 WeakPolarHBondContact O-CB 3.36Å; E143-K147 VanDerWaalsContact O-CG 3.25Å; E143-K147 WeakPolarHBondContact O-CG 3.2Å; E143-K147 PolarHBondContact O-N 3.04Å; E143-K147 IonicContact OE2-NZ 3.7Å; E143-K147 PolarHBondContact OE2-NZ 2.9Å
144K66.8Low60.4Low111 Ų11160.1 Ų60.148%0.48333%0.327SS..Hα-helixtrans-61.5-40.2173.6-75.5171.5-174175.50111.3S140 C141 L142 S148S140-K144 VanDerWaalsContact O-CG 3.28Å; S140-K144 WeakPolarHBondContact O-CG 3.41Å; S140-K144 PolarHBondContact O-N 3.42Å; S140-K144 VanDerWaalsContact O-N 3.14Å; C141-K144 WeakPolarHBondContact O-CB 2.97Å; C141-K144 PolarHBondContact O-N 3.26Å; L142-K144 VanDerWaalsContact C-N 3.3Å; L142-K144 PolarHBondContact O-N 3.48Å; K144-S148 WeakPolarHBondContact O-CA 3.46Å; K144-S148 WeakPolarHBondContact O-CB 3.23Å; K144-S148 PolarHBondContact O-N 3.03Å; K144-S148 PolarHBondContact O-OG 3.39Å
145F72.6Confident61.8Low0 Ų056 Ų560%031%0.305CS..Hα-helixtrans-61.3-52.7177.6175.9-111.4000111.9C141 L142 E143 F149 I151 L157 F177 C184C141-F145 PolarHBondContact O-N 2.79Å; L142-F145 HydrophobicContact CD1-CD1 4.38Å; L142-F145 WeakPolarHBondContact O-CB 3.27Å; L142-F145 PolarHBondContact O-N 2.92Å; L142-F145 VanDerWaalsContact O-N 3.12Å; E143-F145 VanDerWaalsContact C-N 3.31Å; E143-F145 PolarHBondContact O-N 3.44Å; F145-F149 AromaticContact CD2-CD2 3.94Å; F145-F149 HydrophobicContact CD2-CD2 3.94Å; F145-F149 HydrophobicContact CD2-CE2 4.33Å; F145-F149 HydrophobicContact CE2-CD2 4.43Å; F145-F149 WeakPolarHBondContact O-CD2 3.33Å; F145-F149 PolarHBondContact O-N 2.95Å; F145-I151 HydrophobicContact CE1-CB 4.33Å; F145-I151 HydrophobicContact CE1-CG1 4.19Å; F145-I151 HydrophobicContact CE1-CG2 3.78Å; F145-I151 HydrophobicContact CE2-CD1 4.32Å; F145-I151 HydrophobicContact CE2-CG1 4.15Å; F145-I151 HydrophobicContact CZ-CB 4.45Å; F145-I151 HydrophobicContact CZ-CD1 4Å; F145-I151 HydrophobicContact CZ-CG1 3.86Å; F145-I151 HydrophobicContact CZ-CG2 4.01Å; F145-L157 HydrophobicContact CD1-CB 4.18Å; F145-L157 HydrophobicContact CD1-CD1 4.32Å; F145-L157 HydrophobicContact CD2-CD1 4.26Å; F145-L157 HydrophobicContact CE1-CB 4.19Å; F145-L157 HydrophobicContact CE1-CD1 4.32Å; F145-L157 HydrophobicContact CE2-CD1 4.28Å; F145-L157 HydrophobicContact CG-CD1 4.28Å; F145-L157 HydrophobicContact CZ-CD1 4.31Å; F145-F177 HydrophobicContact CB-CD1 3.95Å; F145-F177 HydrophobicContact CB-CE1 4.02Å; F145-F177 HydrophobicContact CD2-CB 3.64Å; F145-F177 AromaticContact CD2-CD1 3.82Å; F145-F177 HydrophobicContact CD2-CD1 3.82Å; F145-F177 HydrophobicContact CD2-CD2 4.43Å; F145-F177 AromaticContact CD2-CG 3.72Å; F145-F177 HydrophobicContact CD2-CG 3.72Å; F145-F177 HydrophobicContact CE2-CB 3.81Å; F145-F177 HydrophobicContact CE2-CG 4.39Å; F145-F177 HydrophobicContact CG-CD1 4.18Å; F145-C184 HydrophobicContact CE2-CB 4.11Å
146H70.8Confident63.4Low58 Ų5858.1 Ų58.127%0.26931%0.309SS..Hα-helixtrans-67.1-44.9179.2-74.1-83.1000112.6L142 S148 S150L142-H146 PolarHBondContact O-CD2 3.45Å; L142-H146 PolarHBondContact O-N 2.51Å; H146-S148 PolarHBondContact O-N 3.34Å; H146-S150 PolarHBondContact O-N 3.36Å
147K68.5Low65.4Low156 Ų15654.3 Ų54.368%0.67828%0.284SS*.Hα-helixtrans-68-33.5-178.9-69.9172.3178.6165.50112.9E143E143-K147 WeakPolarHBondContact O-CB 3.36Å; E143-K147 VanDerWaalsContact O-CG 3.25Å; E143-K147 WeakPolarHBondContact O-CG 3.2Å; E143-K147 PolarHBondContact O-N 3.04Å; E143-K147 IonicContact OE2-NZ 3.7Å; E143-K147 PolarHBondContact OE2-NZ 2.9Å
148S71.7Confident67.3Low23 Ų2351 Ų5116%0.16126%0.261CS..Hα-helixtrans-82.8-27.5-173.1-58.30000113.9K144 H146 K195K144-S148 WeakPolarHBondContact O-CA 3.46Å; K144-S148 WeakPolarHBondContact O-CB 3.23Å; K144-S148 PolarHBondContact O-N 3.03Å; K144-S148 PolarHBondContact O-OG 3.39Å; H146-S148 PolarHBondContact O-N 3.34Å; S148-K195 VanDerWaalsContact O-CD 3.3Å; S148-K195 WeakPolarHBondContact O-CD 3.23Å; S148-K195 WeakPolarHBondContact O-CE 3.37Å; S148-K195 PolarHBondContact O-NZ 2.97Å
149F77Confident69.3Low12 Ų1250.7 Ų50.75%0.05326%0.258CS..Hα-helixtrans-121.24.5-166.3-63.9-70.4000115.2F145 I151 F177 C184 F185 H186 K195 I196 K197F145-F149 AromaticContact CD2-CD2 3.94Å; F145-F149 HydrophobicContact CD2-CD2 3.94Å; F145-F149 HydrophobicContact CD2-CE2 4.33Å; F145-F149 HydrophobicContact CE2-CD2 4.43Å; F145-F149 WeakPolarHBondContact O-CD2 3.33Å; F145-F149 PolarHBondContact O-N 2.95Å; F149-I151 VanDerWaalsContact C-N 3.27Å; F149-I151 HydrophobicContact CB-CD1 4.06Å; F149-I151 HydrophobicContact CB-CG1 3.53Å; F149-I151 PolarHBondContact O-N 3.48Å; F149-F177 AromaticContact CE2-CD2 3.88Å; F149-F177 HydrophobicContact CE2-CD2 3.88Å; F149-F177 HydrophobicContact CE2-CE2 4.04Å; F149-F177 HydrophobicContact CZ-CD2 4.38Å; F149-C184 HydrophobicContact CD1-CB 4.07Å; F149-C184 HydrophobicContact CD2-CB 3.96Å; F149-C184 HydrophobicContact CE1-CB 3.9Å; F149-C184 HydrophobicContact CE2-CB 3.79Å; F149-C184 HydrophobicContact CG-CB 4.1Å; F149-C184 HydrophobicContact CZ-CB 3.73Å; F149-F185 WeakPolarHBondContact CE1-O 3.46Å; F149-F185 VanDerWaalsContact CZ-C 3.48Å; F149-F185 WeakPolarHBondContact CZ-O 3.24Å; F149-H186 HydrophobicContact CE2-CB 4.14Å; F149-H186 HydrophobicContact CZ-CB 3.68Å; F149-K195 HydrophobicContact CE1-CB 4.07Å; F149-K195 HydrophobicContact CE1-CG 4.29Å; F149-I196 VanDerWaalsContact CE1-O 3.24Å; F149-I196 WeakPolarHBondContact CE1-O 3.24Å; F149-K197 HydrophobicContact CD1-CB 4.32Å; F149-K197 WeakPolarHBondContact O-CD 3.42Å; F149-K197 PolarHBondContact O-NZ 3.32Å
150S69.8Low70.9Confident59 Ų5949 Ų4941%0.41325%0.252SS..THydrogen-bonded Turntrans46.954.2-176.3-61.40000111.1H146 K197 F1237H146-S150 PolarHBondContact O-N 3.36Å; S150-K197 PolarHBondContact O-NZ 3.48Å; S150-F1237 WeakPolarHBondContact CB-O 3.38Å; S150-F1237 PolarHBondContact OG-O 3.27Å
151I70.8Confident72.4Confident13 Ų1347.1 Ų47.17%0.06724%0.236CC..  trans-85.8137.9-175.6-69.5-75.3000108.5F145 F149 E155 F182 K197F145-I151 HydrophobicContact CE1-CB 4.33Å; F145-I151 HydrophobicContact CE1-CG1 4.19Å; F145-I151 HydrophobicContact CE1-CG2 3.78Å; F145-I151 HydrophobicContact CE2-CD1 4.32Å; F145-I151 HydrophobicContact CE2-CG1 4.15Å; F145-I151 HydrophobicContact CZ-CB 4.45Å; F145-I151 HydrophobicContact CZ-CD1 4Å; F145-I151 HydrophobicContact CZ-CG1 3.86Å; F145-I151 HydrophobicContact CZ-CG2 4.01Å; F149-I151 VanDerWaalsContact C-N 3.27Å; F149-I151 HydrophobicContact CB-CD1 4.06Å; F149-I151 HydrophobicContact CB-CG1 3.53Å; F149-I151 PolarHBondContact O-N 3.48Å; I151-E155 HydrophobicContact CG2-CB 3.3Å; I151-E155 HydrophobicContact CG2-CG 3.5Å; I151-E155 VanDerWaalsContact CG2-CG 3.5Å; I151-F182 HydrophobicContact CD1-CB 4.42Å; I151-F182 HydrophobicContact CD1-CD2 3.94Å; I151-F182 HydrophobicContact CD1-CE2 4.36Å; I151-F182 HydrophobicContact CD1-CG 4.06Å; I151-K197 HydrophobicContact CD1-CD 4.33Å
152P66.3Low73.4Confident5 Ų550.9 Ų50.93%0.03225%0.251CS..  trans-51143.7175.5-27.635.8000112.4D154 E155 F1237P152-D154 WeakPolarHBondContact CB-OD1 3.33Å; P152-D154 PolarHBondContact O-N 3.32Å; P152-E155 WeakPolarHBondContact O-CB 3.39Å; P152-E155 PolarHBondContact O-N 3.15Å; P152-E155 VanDerWaalsContact O-N 3.09Å; P152-F1237 HydrophobicContact CG-CE1 4.15Å
153P60.3Low74.5Confident108 Ų10848.8 Ų48.870%0.70124%0.24SC*.THydrogen-bonded Turntrans-64.5-22.5-175.726.4-34.2000113.4
154D65.2Low75.7Confident47 Ų4744.2 Ų44.225%0.25122%0.22SC..THydrogen-bonded Turntrans-84.9-11177.461.3-52.9000113.8P152 K156P152-D154 WeakPolarHBondContact CB-OD1 3.33Å; P152-D154 PolarHBondContact O-N 3.32Å; D154-K156 PolarHBondContact O-N 3.3Å
155E75.1Confident76.7Confident5 Ų539.4 Ų39.42%0.02320%0.2CC..PPolyproline II helixtrans-71.5127.7178.5-176.461.4-144.300111I151 P152 S179 V180 N181 F182I151-E155 HydrophobicContact CG2-CB 3.3Å; I151-E155 HydrophobicContact CG2-CG 3.5Å; I151-E155 VanDerWaalsContact CG2-CG 3.5Å; P152-E155 WeakPolarHBondContact O-CB 3.39Å; P152-E155 PolarHBondContact O-N 3.15Å; P152-E155 VanDerWaalsContact O-N 3.09Å; E155-S179 WeakPolarHBondContact OE1-CB 3.42Å; E155-S179 PolarHBondContact OE1-OG 2.93Å; E155-V180 WeakPolarHBondContact OE1-CA 3.34Å; E155-V180 WeakPolarHBondContact OE1-CB 3.25Å; E155-V180 PolarHBondContact OE1-N 3.48Å; E155-N181 PolarHBondContact OE1-N 3.09Å; E155-N181 WeakPolarHBondContact OE2-CB 3.29Å; E155-N181 PolarHBondContact OE2-ND2 2.9Å; E155-F182 HydrophobicContact CG-CD2 3.98Å; E155-F182 HydrophobicContact CG-CE2 4.27Å
156K77.2Confident77.1Confident88 Ų8841.9 Ų41.938%0.38321%0.209SC..PPolyproline II helixtrans-101.9120.5-176.5-60.1-173.6-176.3-175.50111D154 V158 S179 V180 E262 L287D154-K156 PolarHBondContact O-N 3.3Å; K156-V158 PolarHBondContact O-N 3.14Å; K156-S179 WeakPolarHBondContact O-CA 3.32Å; K156-S179 WeakPolarHBondContact O-CB 3.44Å; K156-V180 HydrophobicContact CB-CG2 4.29Å; K156-V180 PolarHBondContact O-N 2.81Å; K156-E262 VanDerWaalsContact CD-OE1 3.25Å; K156-E262 WeakPolarHBondContact CD-OE1 3.35Å; K156-E262 WeakPolarHBondContact CE-OE1 3.38Å; K156-E262 VanDerWaalsContact NZ-CD 3.32Å; K156-E262 IonicContact NZ-OE1 2.72Å; K156-E262 PolarHBondContact NZ-OE1 3.28Å; K156-E262 IonicContact NZ-OE2 3.67Å; K156-E262 PolarHBondContact NZ-OE2 3.45Å; K156-L287 HydrophobicContact CB-CD2 3.96Å
157L81.3Confident77.1Confident28 Ų2847.8 Ų47.815%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-68.1123.8170.9-177.966.9000110L142 F145 F177 L178L142-L157 HydrophobicContact CD1-CB 3.83Å; L142-L157 HydrophobicContact CD1-CD2 3.98Å; F145-L157 HydrophobicContact CD1-CB 4.18Å; F145-L157 HydrophobicContact CD1-CD1 4.32Å; F145-L157 HydrophobicContact CD2-CD1 4.26Å; F145-L157 HydrophobicContact CE1-CB 4.19Å; F145-L157 HydrophobicContact CE1-CD1 4.32Å; F145-L157 HydrophobicContact CE2-CD1 4.28Å; F145-L157 HydrophobicContact CG-CD1 4.28Å; F145-L157 HydrophobicContact CZ-CD1 4.31Å; L157-F177 HydrophobicContact CD1-CB 3.9Å; L157-F177 HydrophobicContact CD1-CD1 4.06Å; L157-F177 HydrophobicContact CD1-CG 4.5Å; L157-F177 HydrophobicContact CD2-CD1 4.3Å; L157-L178 WeakPolarHBondContact CD1-O 3.32Å
158V83.2Confident77.1Confident1 Ų143.3 Ų43.31%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-83.1-57.8177.4-1760000109.3K156 L178 V180 L242 L246 S285 L287 K288 L291K156-V158 PolarHBondContact O-N 3.14Å; V158-L178 WeakPolarHBondContact CA-O 3.47Å; V158-L178 VanDerWaalsContact CB-O 3.25Å; V158-L178 WeakPolarHBondContact CB-O 3.29Å; V158-L178 PolarHBondContact N-O 3.28Å; V158-V180 HydrophobicContact CG2-CG2 4.42Å; V158-L242 HydrophobicContact CG1-CD1 4.05Å; V158-L242 HydrophobicContact CG1-CD2 3.96Å; V158-L242 HydrophobicContact CG1-CG 4.48Å; V158-L246 HydrophobicContact CG2-CD1 4.26Å; V158-L246 HydrophobicContact CG2-CD2 4.08Å; V158-S285 WeakPolarHBondContact O-CB 3.37Å; V158-S285 PolarHBondContact O-OG 2.97Å; V158-L287 HydrophobicContact CB-CD2 4.21Å; V158-L287 HydrophobicContact CB-CG 4.43Å; V158-L287 HydrophobicContact CG1-CG 4.25Å; V158-L287 HydrophobicContact CG2-CD2 3.45Å; V158-L287 VanDerWaalsContact CG2-CD2 3.45Å; V158-L287 HydrophobicContact CG2-CG 3.92Å; V158-K288 HydrophobicContact CG1-CB 4.06Å; V158-L291 HydrophobicContact CG1-CD1 3.77Å; V158-L291 HydrophobicContact CG2-CD1 4.35Å
159N86.5Confident76.8Confident27 Ų2751.8 Ų51.814%0.14427%0.266CS..EExtended strand (participates in β ladder)trans-160.9169.3177.8-158.215.6000111.4Y161 L178 L242 K288N159-Y161 HydrophobicContact CB-CE2 3.97Å; N159-Y161 PolarHBondContact ND2-OH 2.56Å; N159-L178 PolarHBondContact N-O 3.35Å; N159-L178 VanDerWaalsContact N-O 3.11Å; N159-L178 PolarHBondContact O-N 2.83Å; N159-L242 HydrophobicContact CB-CD2 3.96Å; N159-K288 HydrophobicContact CB-CD 4.35Å
160Y85.6Confident76.4Confident66 Ų6655.7 Ų55.726%0.25929%0.29SS..EExtended strand (participates in β ladder)trans-131.1152.5171.175.8-82.2000111.8C141 L176C141-Y160 HydrophobicContact CB-CE1 4.31Å; Y160-L176 CarbonylContact C-O 3.57Å; Y160-L176 WeakPolarHBondContact CA-O 3.37Å
161Y85.3Confident76.8Confident20 Ų2055.1 Ų55.18%0.07829%0.285CS..EExtended strand (participates in β ladder)trans-136.6138.1-177.3-60.3-88.9000110.7N159 L176 L178 E238 T239 L242N159-Y161 HydrophobicContact CB-CE2 3.97Å; N159-Y161 PolarHBondContact ND2-OH 2.56Å; Y161-L176 PolarHBondContact N-O 3.44Å; Y161-L176 PolarHBondContact O-N 2.98Å; Y161-L178 HydrophobicContact CD2-CD1 4.23Å; Y161-L178 HydrophobicContact CD2-CG 4.42Å; Y161-L178 HydrophobicContact CE2-CD1 3.93Å; Y161-L178 HydrophobicContact CE2-CG 4.43Å; Y161-E238 HydrophobicContact CE1-CG 4.35Å; Y161-T239 HydrophobicContact CD1-CG2 4.28Å; Y161-T239 WeakPolarHBondContact CD1-OG1 3.35Å; Y161-T239 HydrophobicContact CD2-CG2 3.73Å; Y161-T239 WeakPolarHBondContact CE1-OG1 3.41Å; Y161-T239 HydrophobicContact CE2-CG2 4.15Å; Y161-T239 HydrophobicContact CG-CG2 3.8Å; Y161-L242 HydrophobicContact CE2-CD2 4.02Å; Y161-L242 WeakPolarHBondContact OH-CD2 3.49Å
162K81.2Confident77.2Confident89 Ų8955.1 Ų55.139%0.38729%0.287SS..EExtended strand (participates in β ladder)trans-74.5130.3171-66.8-76.1174.7-164.40109.3D175K162-D175 WeakPolarHBondContact CD-OD1 3.43Å; K162-D175 WeakPolarHBondContact CE-OD1 3.23Å; K162-D175 IonicContact NZ-OD1 3.48Å; K162-D175 PolarHBondContact NZ-OD1 3.41Å; K162-D175 IonicContact NZ-OD2 2.63Å; K162-D175 PolarHBondContact NZ-OD2 3.44Å
163C87.4Confident78Confident3 Ų359.7 Ų59.72%0.0231%0.308CS..EExtended strand (participates in β ladder)trans-157.2176.4175.974.20000112.2G174 S231 F233C163-G174 PolarHBondContact N-O 3.06Å; C163-G174 VanDerWaalsContact N-O 3.11Å; C163-G174 PolarHBondContact O-N 3.39Å; C163-G174 VanDerWaalsContact O-O 3.08Å; C163-S231 WeakPolarHBondContact CB-O 3.38Å; C163-F233 HydrophobicContact CB-CD1 3.57Å; C163-F233 HydrophobicContact CB-CE1 3.32Å; C163-F233 HydrophobicContact CB-CE2 4.35Å; C163-F233 HydrophobicContact CB-CG 4.19Å; C163-F233 HydrophobicContact CB-CZ 3.77Å
164C87.4Confident79Confident10 Ų1055 Ų557%0.06828%0.279CS..EExtended strand (participates in β ladder)trans-112.9127172.2-690000110.1P171 A172 F230 S231 M232C164-P171 HydrophobicContact CB-CB 4.1Å; C164-A172 CarbonylContact C-O 3.54Å; C164-A172 WeakPolarHBondContact CA-O 3.46Å; C164-F230 CarbonylContact O-C 3.56Å; C164-F230 VanDerWaalsContact O-CA 3.3Å; C164-F230 WeakPolarHBondContact O-CA 3.39Å; C164-S231 PolarHBondContact N-O 3.11Å; C164-S231 PolarHBondContact O-N 3.43Å; C164-M232 HydrophobicContact CB-CB 4.4Å; C164-M232 HydrophobicContact CB-CG 4.43Å; C164-M232 HydrophobicContact CB-SD 4.15Å; C164-M232 VanDerWaalsContact SG-SD 3.64Å
165L87.4Confident80Confident10 Ų1053.8 Ų53.85%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-86.8130.2165.817376000109.4A172 F185 T194 I196 F228 F230L165-A172 PolarHBondContact N-O 3.2Å; L165-A172 PolarHBondContact O-N 3.11Å; L165-F185 HydrophobicContact CB-CD1 4.04Å; L165-F185 HydrophobicContact CB-CE1 3.48Å; L165-F185 VanDerWaalsContact CB-CE1 3.48Å; L165-F185 HydrophobicContact CB-CE2 4.17Å; L165-F185 HydrophobicContact CB-CZ 3.56Å; L165-F185 HydrophobicContact CD2-CD1 3.97Å; L165-F185 HydrophobicContact CD2-CE1 3.84Å; L165-F185 HydrophobicContact CG-CE1 4.3Å; L165-T194 HydrophobicContact CD2-CG2 3.93Å; L165-I196 HydrophobicContact CD1-CD1 3.78Å; L165-I196 HydrophobicContact CD2-CD1 3.37Å; L165-I196 HydrophobicContact CD2-CG1 4.48Å; L165-I196 HydrophobicContact CG-CD1 4.18Å; L165-F228 HydrophobicContact CD1-CB 4.11Å; L165-F228 HydrophobicContact CD1-CD1 4.18Å; L165-F230 HydrophobicContact CB-CD1 4.18Å; L165-F230 HydrophobicContact CB-CE1 4.12Å; L165-F230 HydrophobicContact CD1-CD1 4.02Å; L165-F230 HydrophobicContact CD1-CE1 3.59Å; L165-F230 HydrophobicContact CD1-CZ 3.88Å; L165-F230 HydrophobicContact CG-CE1 4.4Å
166W80.1Confident80.7Confident51 Ų5153.7 Ų53.719%0.19327%0.272CS..EExtended strand (participates in β ladder)trans-96.2123.9175.6-6690.8000112.2P171 F214 S229 S231W166-P171 HydrophobicContact CD2-CB 4.05Å; W166-P171 HydrophobicContact CE3-CB 3.9Å; W166-P171 HydrophobicContact CE3-CG 4.42Å; W166-P171 HydrophobicContact CH2-CB 3.8Å; W166-P171 HydrophobicContact CH2-CG 3.88Å; W166-P171 HydrophobicContact CZ2-CB 3.92Å; W166-P171 HydrophobicContact CZ2-CG 4.44Å; W166-P171 HydrophobicContact CZ3-CB 3.78Å; W166-P171 HydrophobicContact CZ3-CG 3.86Å; W166-F214 AromaticContact CD2-CD1 3.79Å; W166-F214 HydrophobicContact CD2-CD1 3.79Å; W166-F214 AromaticContact CD2-CE1 3.35Å; W166-F214 HydrophobicContact CD2-CE1 3.35Å; W166-F214 HydrophobicContact CD2-CZ 4.31Å; W166-F214 AromaticContact CE2-CD1 3.45Å; W166-F214 VanDerWaalsContact CE2-CD1 3.45Å; W166-F214 AromaticContact CE2-CE1 3.49Å; W166-F214 VanDerWaalsContact CE2-CE1 3.49Å; W166-F214 HydrophobicContact CE3-CD1 4.34Å; W166-F214 AromaticContact CE3-CE1 3.51Å; W166-F214 HydrophobicContact CE3-CE1 3.51Å; W166-F214 HydrophobicContact CE3-CZ 4.3Å; W166-F214 HydrophobicContact CG-CD1 4.13Å; W166-F214 AromaticContact CG-CE1 3.87Å; W166-F214 HydrophobicContact CG-CE1 3.87Å; W166-F214 HydrophobicContact CH2-CD1 4.29Å; W166-F214 AromaticContact CH2-CE1 3.91Å; W166-F214 HydrophobicContact CH2-CE1 3.91Å; W166-F214 AromaticContact CZ2-CD1 3.75Å; W166-F214 HydrophobicContact CZ2-CD1 3.75Å; W166-F214 AromaticContact CZ2-CE1 3.78Å; W166-F214 HydrophobicContact CZ2-CE1 3.78Å; W166-F214 AromaticContact CZ3-CE1 3.78Å; W166-F214 HydrophobicContact CZ3-CE1 3.78Å; W166-F214 AromaticContact NE1-CD1 3.59Å; W166-F214 AromaticContact NE1-CE1 3.98Å; W166-S229 PolarHBondContact N-O 3.38Å; W166-S231 PolarHBondContact NE1-OG 3.1Å
167K71.4Confident81.3Confident183 Ų18349.7 Ų49.780%0.79626%0.255SS*.EExtended strand (participates in β ladder)trans-116.691.8167.1-165.7175.8-178.2178.80108.4V170K167-V170 PolarHBondContact N-O 2.93Å
168G68.4Low81.8Confident61 Ų6148.3 Ų48.363%0.62925%0.248SC*.THydrogen-bonded Turntrans70.7-125.5-169.400000111.6
169K65.4Low82Confident201 Ų20148.3 Ų48.387%0.87425%0.247SC*.THydrogen-bonded Turntrans-94.1-0-179.2-65.1-173.1-179.9-1790114.6
170V68.6Low81.8Confident94 Ų9447.2 Ų47.257%0.5724%0.242SC*.EExtended strand (participates in β ladder)trans-107.4120-176.1-175.90000109.5K167K167-V170 PolarHBondContact N-O 2.93Å
171P77.9Confident81.7Confident47 Ų4745.3 Ų45.331%0.30524%0.236SC..EExtended strand (participates in β ladder)trans-82.3126.3175.430.3-29.4000110C164 W166 M189C164-P171 HydrophobicContact CB-CB 4.1Å; W166-P171 HydrophobicContact CD2-CB 4.05Å; W166-P171 HydrophobicContact CE3-CB 3.9Å; W166-P171 HydrophobicContact CE3-CG 4.42Å; W166-P171 HydrophobicContact CH2-CB 3.8Å; W166-P171 HydrophobicContact CH2-CG 3.88Å; W166-P171 HydrophobicContact CZ2-CB 3.92Å; W166-P171 HydrophobicContact CZ2-CG 4.44Å; W166-P171 HydrophobicContact CZ3-CB 3.78Å; W166-P171 HydrophobicContact CZ3-CG 3.86Å; P171-M189 WeakPolarHBondContact O-CE 3.45Å
172A80.4Confident81.9Confident14 Ų1444.4 Ų44.412%0.11623%0.233CC..EExtended strand (participates in β ladder)trans-92.1108.7165.400000109C164 L165 F185 A187 M189C164-A172 CarbonylContact C-O 3.54Å; C164-A172 WeakPolarHBondContact CA-O 3.46Å; L165-A172 PolarHBondContact N-O 3.2Å; L165-A172 PolarHBondContact O-N 3.11Å; A172-F185 WeakPolarHBondContact O-CZ 2.75Å; A172-A187 HydrophobicContact CB-CB 4.17Å; A172-M189 HydrophobicContact CB-CE 4.26Å
173Q81.9Confident82.5Confident101 Ų10140.3 Ų40.347%0.47222%0.215SC..EExtended strand (participates in β ladder)trans-77.5131.6176.6-172-179.61.500110A187 M189Q173-A187 WeakPolarHBondContact O-CB 3.43Å; Q173-M189 HydrophobicContact CB-SD 4.46Å
174G82.4Confident82.8Confident8 Ų840.1 Ų40.18%0.08221%0.214CC..EExtended strand (participates in β ladder)trans-164.9-164.8-175.400000114.4C163 H186C163-G174 PolarHBondContact N-O 3.06Å; C163-G174 VanDerWaalsContact N-O 3.11Å; C163-G174 PolarHBondContact O-N 3.39Å; C163-G174 VanDerWaalsContact O-O 3.08Å; G174-H186 CarbonylContact C-O 3.58Å; G174-H186 WeakPolarHBondContact CA-O 3.21Å
175D85Confident83Confident22 Ų2239.7 Ų39.712%0.11821%0.211CC..EExtended strand (participates in β ladder)trans-111.9124.3-179.8-73.4-54.1000110K162 F177 F185 H186K162-D175 WeakPolarHBondContact CD-OD1 3.43Å; K162-D175 WeakPolarHBondContact CE-OD1 3.23Å; K162-D175 IonicContact NZ-OD1 3.48Å; K162-D175 PolarHBondContact NZ-OD1 3.41Å; K162-D175 IonicContact NZ-OD2 2.63Å; K162-D175 PolarHBondContact NZ-OD2 3.44Å; D175-F177 HydrophobicContact CB-CD2 4.23Å; D175-F177 HydrophobicContact CB-CE2 3.43Å; D175-F177 VanDerWaalsContact CB-CE2 3.43Å; D175-F177 HydrophobicContact CB-CZ 3.66Å; D175-F177 WeakPolarHBondContact O-CD2 2.75Å; D175-F177 WeakPolarHBondContact O-CE2 3.44Å; D175-F185 VanDerWaalsContact O-CA 3.29Å; D175-F185 WeakPolarHBondContact O-CA 3.38Å; D175-F185 WeakPolarHBondContact O-CD2 3.46Å; D175-H186 PolarHBondContact N-O 3.5Å; D175-H186 PolarHBondContact O-N 3.17Å
176L89.8Confident83Confident4 Ų440.8 Ų40.82%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-95.9113.9170.1-17772.5000109.2Y160 Y161 L178 L183 C184 F185 F230 F233 T239Y160-L176 CarbonylContact C-O 3.57Å; Y160-L176 WeakPolarHBondContact CA-O 3.37Å; Y161-L176 PolarHBondContact N-O 3.44Å; Y161-L176 PolarHBondContact O-N 2.98Å; L176-L178 HydrophobicContact CD2-CD2 4.13Å; L176-L178 HydrophobicContact CG-CD2 4Å; L176-L183 HydrophobicContact CD1-CD1 4.37Å; L176-L183 HydrophobicContact CD1-CD2 3.57Å; L176-L183 HydrophobicContact CD1-CG 3.83Å; L176-C184 CarbonylContact C-O 3.6Å; L176-C184 WeakPolarHBondContact CA-O 3.46Å; L176-F185 HydrophobicContact CB-CD2 4.34Å; L176-F185 HydrophobicContact CD1-CB 4.19Å; L176-F230 HydrophobicContact CD1-CD1 4.32Å; L176-F230 HydrophobicContact CD1-CE1 4.01Å; L176-F230 HydrophobicContact CD1-CZ 4.16Å; L176-F233 HydrophobicContact CD2-CE1 3.81Å; L176-F233 HydrophobicContact CD2-CZ 4.11Å; L176-T239 HydrophobicContact CD2-CG2 4.2Å
177F90.1Very high83.1Confident3 Ų338.5 Ų38.51%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-98.4126.7177.7-58.3-95.4000109.6C141 F145 F149 L157 D175 C184 H186C141-F177 WeakPolarHBondContact SG-CE1 3.1Å; F145-F177 HydrophobicContact CB-CD1 3.95Å; F145-F177 HydrophobicContact CB-CE1 4.02Å; F145-F177 HydrophobicContact CD2-CB 3.64Å; F145-F177 AromaticContact CD2-CD1 3.82Å; F145-F177 HydrophobicContact CD2-CD1 3.82Å; F145-F177 HydrophobicContact CD2-CD2 4.43Å; F145-F177 AromaticContact CD2-CG 3.72Å; F145-F177 HydrophobicContact CD2-CG 3.72Å; F145-F177 HydrophobicContact CE2-CB 3.81Å; F145-F177 HydrophobicContact CE2-CG 4.39Å; F145-F177 HydrophobicContact CG-CD1 4.18Å; F149-F177 AromaticContact CE2-CD2 3.88Å; F149-F177 HydrophobicContact CE2-CD2 3.88Å; F149-F177 HydrophobicContact CE2-CE2 4.04Å; F149-F177 HydrophobicContact CZ-CD2 4.38Å; L157-F177 HydrophobicContact CD1-CB 3.9Å; L157-F177 HydrophobicContact CD1-CD1 4.06Å; L157-F177 HydrophobicContact CD1-CG 4.5Å; L157-F177 HydrophobicContact CD2-CD1 4.3Å; D175-F177 HydrophobicContact CB-CD2 4.23Å; D175-F177 HydrophobicContact CB-CE2 3.43Å; D175-F177 VanDerWaalsContact CB-CE2 3.43Å; D175-F177 HydrophobicContact CB-CZ 3.66Å; D175-F177 WeakPolarHBondContact O-CD2 2.75Å; D175-F177 WeakPolarHBondContact O-CE2 3.44Å; F177-C184 HydrophobicContact CB-CB 4.2Å; F177-C184 PolarHBondContact N-O 2.85Å; F177-C184 PolarHBondContact O-N 3.45Å; F177-H186 HydrophobicContact CE2-CB 4.05Å
178L91.3Very high83.3Confident0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-110.4116.6173.9-53.8-172.1000108.1L157 V158 N159 Y161 L176 L183 W200 L242 A243 L246L157-L178 WeakPolarHBondContact CD1-O 3.32Å; V158-L178 WeakPolarHBondContact CA-O 3.47Å; V158-L178 VanDerWaalsContact CB-O 3.25Å; V158-L178 WeakPolarHBondContact CB-O 3.29Å; V158-L178 PolarHBondContact N-O 3.28Å; N159-L178 PolarHBondContact N-O 3.35Å; N159-L178 VanDerWaalsContact N-O 3.11Å; N159-L178 PolarHBondContact O-N 2.83Å; Y161-L178 HydrophobicContact CD2-CD1 4.23Å; Y161-L178 HydrophobicContact CD2-CG 4.42Å; Y161-L178 HydrophobicContact CE2-CD1 3.93Å; Y161-L178 HydrophobicContact CE2-CG 4.43Å; L176-L178 HydrophobicContact CD2-CD2 4.13Å; L176-L178 HydrophobicContact CG-CD2 4Å; L178-L183 HydrophobicContact CD2-CB 4.39Å; L178-L183 HydrophobicContact CD2-CD1 4.2Å; L178-L183 HydrophobicContact CD2-CG 3.95Å; L178-W200 HydrophobicContact CB-CZ2 4.41Å; L178-W200 HydrophobicContact CD2-CH2 3.84Å; L178-W200 HydrophobicContact CD2-CZ2 3.92Å; L178-L242 HydrophobicContact CD1-CB 4.31Å; L178-L242 HydrophobicContact CD1-CD2 4.1Å; L178-L242 HydrophobicContact CD1-CG 4.1Å; L178-A243 HydrophobicContact CD1-CB 4.1Å; L178-L246 HydrophobicContact CB-CD1 3.85Å
179S88Confident83.2Confident0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-114.4175.4174.364.30000109.6E155 K156 N181 F182 W200E155-S179 WeakPolarHBondContact OE1-CB 3.42Å; E155-S179 PolarHBondContact OE1-OG 2.93Å; K156-S179 WeakPolarHBondContact O-CA 3.32Å; K156-S179 WeakPolarHBondContact O-CB 3.44Å; S179-N181 VanDerWaalsContact C-N 3.31Å; S179-N181 PolarHBondContact O-N 3.17Å; S179-F182 PolarHBondContact N-O 3.13Å; S179-F182 WeakPolarHBondContact OG-CA 3.3Å; S179-F182 WeakPolarHBondContact OG-CB 3.44Å; S179-F182 PolarHBondContact OG-N 3.18Å; S179-F182 PolarHBondContact OG-O 2.92Å; S179-W200 PolarHBondContact O-NE1 2.8Å
180V82.9Confident83.1Confident4 Ų436 Ų362%0.02419%0.186CC..SBendtrans-57.7-46.7-178.9-179.10000110.9E155 K156 V158 W200 F260 L287E155-V180 WeakPolarHBondContact OE1-CA 3.34Å; E155-V180 WeakPolarHBondContact OE1-CB 3.25Å; E155-V180 PolarHBondContact OE1-N 3.48Å; K156-V180 HydrophobicContact CB-CG2 4.29Å; K156-V180 PolarHBondContact O-N 2.81Å; V158-V180 HydrophobicContact CG2-CG2 4.42Å; V180-W200 PolarHBondContact O-NE1 3.39Å; V180-F260 HydrophobicContact CG1-CB 4.32Å; V180-F260 HydrophobicContact CG1-CD1 4.48Å; V180-L287 HydrophobicContact CG2-CD2 3.68Å
181N83.6Confident82.8Confident26 Ų2634 Ų3414%0.13919%0.185CC..SBendtrans-104.9-18.8-173.2-62.2-52.8000113.5E155 S179 K199 W200E155-N181 PolarHBondContact OE1-N 3.09Å; E155-N181 WeakPolarHBondContact OE2-CB 3.29Å; E155-N181 PolarHBondContact OE2-ND2 2.9Å; S179-N181 VanDerWaalsContact C-N 3.31Å; S179-N181 PolarHBondContact O-N 3.17Å; N181-K199 WeakPolarHBondContact O-CA 3.26Å; N181-W200 PolarHBondContact O-N 2.92Å
182F89.6Confident82.4Confident2 Ų237.5 Ų37.51%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-127.8144.9-173.8-51.8-92.4000114.5I151 E155 S179 K197 L198 K199 L834I151-F182 HydrophobicContact CD1-CB 4.42Å; I151-F182 HydrophobicContact CD1-CD2 3.94Å; I151-F182 HydrophobicContact CD1-CE2 4.36Å; I151-F182 HydrophobicContact CD1-CG 4.06Å; E155-F182 HydrophobicContact CG-CD2 3.98Å; E155-F182 HydrophobicContact CG-CE2 4.27Å; S179-F182 PolarHBondContact N-O 3.13Å; S179-F182 WeakPolarHBondContact OG-CA 3.3Å; S179-F182 WeakPolarHBondContact OG-CB 3.44Å; S179-F182 PolarHBondContact OG-N 3.18Å; S179-F182 PolarHBondContact OG-O 2.92Å; F182-K197 HydrophobicContact CD1-CG 4.05Å; F182-L198 CarbonylContact C-O 3.36Å; F182-L198 VanDerWaalsContact CA-O 3.28Å; F182-L198 WeakPolarHBondContact CA-O 3.2Å; F182-K199 HydrophobicContact CD1-CB 4.48Å; F182-K199 HydrophobicContact CD1-CG 3.69Å; F182-K199 HydrophobicContact CE1-CD 4.29Å; F182-K199 HydrophobicContact CE1-CG 3.43Å; F182-K199 VanDerWaalsContact CE1-CG 3.43Å; F182-K199 HydrophobicContact CZ-CG 4.37Å; F182-L834 HydrophobicContact CZ-CD2 4.39Å
183L93.7Very high82.4Confident2 Ų241.5 Ų41.51%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-101.3119157.9-179.8160.1000107.9L176 L178 L198 W200 I203 V220 F230L176-L183 HydrophobicContact CD1-CD1 4.37Å; L176-L183 HydrophobicContact CD1-CD2 3.57Å; L176-L183 HydrophobicContact CD1-CG 3.83Å; L178-L183 HydrophobicContact CD2-CB 4.39Å; L178-L183 HydrophobicContact CD2-CD1 4.2Å; L178-L183 HydrophobicContact CD2-CG 3.95Å; L183-L198 HydrophobicContact CD2-CD1 4.31Å; L183-L198 PolarHBondContact N-O 2.9Å; L183-L198 PolarHBondContact O-N 2.89Å; L183-W200 HydrophobicContact CB-CH2 3.8Å; L183-W200 HydrophobicContact CB-CZ2 3.87Å; L183-W200 HydrophobicContact CB-CZ3 4.13Å; L183-W200 HydrophobicContact CD1-CH2 3.72Å; L183-W200 HydrophobicContact CD1-CZ3 3.84Å; L183-W200 HydrophobicContact CG-CH2 4.2Å; L183-I203 HydrophobicContact CB-CD1 4.5Å; L183-I203 HydrophobicContact CD1-CD1 4.4Å; L183-V220 HydrophobicContact CD1-CG2 4.22Å; L183-F230 HydrophobicContact CD2-CE2 4.4Å; L183-F230 HydrophobicContact CD2-CZ 4.23Å
184C92.6Very high82.5Confident0 Ų039.1 Ų39.10%021%0.21CC..EExtended strand (participates in β ladder)trans-123.5144.7-179.9-63.90000111.3F145 F149 L176 F177 I196F145-C184 HydrophobicContact CE2-CB 4.11Å; F149-C184 HydrophobicContact CD1-CB 4.07Å; F149-C184 HydrophobicContact CD2-CB 3.96Å; F149-C184 HydrophobicContact CE1-CB 3.9Å; F149-C184 HydrophobicContact CE2-CB 3.79Å; F149-C184 HydrophobicContact CG-CB 4.1Å; F149-C184 HydrophobicContact CZ-CB 3.73Å; L176-C184 CarbonylContact C-O 3.6Å; L176-C184 WeakPolarHBondContact CA-O 3.46Å; F177-C184 HydrophobicContact CB-CB 4.2Å; F177-C184 PolarHBondContact N-O 2.85Å; F177-C184 PolarHBondContact O-N 3.45Å; C184-I196 CarbonylContact C-O 3.56Å; C184-I196 WeakPolarHBondContact CA-O 3.48Å
185F91.8Very high82.8Confident0 Ų043.2 Ų43.20%023%0.226CC..EExtended strand (participates in β ladder)trans-132.4130.8175.3174.8-91.9000111.2F149 L165 A172 D175 L176 A187 K195 I196 F230F149-F185 WeakPolarHBondContact CE1-O 3.46Å; F149-F185 VanDerWaalsContact CZ-C 3.48Å; F149-F185 WeakPolarHBondContact CZ-O 3.24Å; L165-F185 HydrophobicContact CB-CD1 4.04Å; L165-F185 HydrophobicContact CB-CE1 3.48Å; L165-F185 VanDerWaalsContact CB-CE1 3.48Å; L165-F185 HydrophobicContact CB-CE2 4.17Å; L165-F185 HydrophobicContact CB-CZ 3.56Å; L165-F185 HydrophobicContact CD2-CD1 3.97Å; L165-F185 HydrophobicContact CD2-CE1 3.84Å; L165-F185 HydrophobicContact CG-CE1 4.3Å; A172-F185 WeakPolarHBondContact O-CZ 2.75Å; D175-F185 VanDerWaalsContact O-CA 3.29Å; D175-F185 WeakPolarHBondContact O-CA 3.38Å; D175-F185 WeakPolarHBondContact O-CD2 3.46Å; L176-F185 HydrophobicContact CB-CD2 4.34Å; L176-F185 HydrophobicContact CD1-CB 4.19Å; F185-A187 HydrophobicContact CE1-CB 3.53Å; F185-A187 HydrophobicContact CZ-CB 3.72Å; F185-K195 CarbonylContact O-C 3.46Å; F185-K195 WeakPolarHBondContact O-CA 3.44Å; F185-I196 HydrophobicContact CB-CB 4.11Å; F185-I196 HydrophobicContact CB-CD1 4.38Å; F185-I196 HydrophobicContact CD1-CD1 4.21Å; F185-I196 PolarHBondContact N-O 3.16Å; F185-I196 PolarHBondContact O-N 2.53Å; F185-F230 HydrophobicContact CB-CE1 3.8Å; F185-F230 HydrophobicContact CB-CZ 4.29Å; F185-F230 HydrophobicContact CD1-CE1 4.41Å; F185-F230 HydrophobicContact CD2-CD1 4.14Å; F185-F230 AromaticContact CD2-CE1 3.77Å; F185-F230 HydrophobicContact CD2-CE1 3.77Å; F185-F230 HydrophobicContact CE2-CE1 4.46Å; F185-F230 AromaticContact CG-CE1 3.74Å; F185-F230 HydrophobicContact CG-CE1 3.74Å
186H88.2Confident83Confident34 Ų3442.9 Ų42.916%0.15722%0.224CC..EExtended strand (participates in β ladder)trans-122.9128.7177.3-177.4-96.8000110F149 G174 D175 F177 E193 T194F149-H186 HydrophobicContact CE2-CB 4.14Å; F149-H186 HydrophobicContact CZ-CB 3.68Å; G174-H186 CarbonylContact C-O 3.58Å; G174-H186 WeakPolarHBondContact CA-O 3.21Å; D175-H186 PolarHBondContact N-O 3.5Å; D175-H186 PolarHBondContact O-N 3.17Å; F177-H186 HydrophobicContact CE2-CB 4.05Å; H186-E193 IonicContact CD2-OE1 2.6Å; H186-E193 IonicContact CE1-OE1 2.78Å; H186-E193 IonicContact NE2-OE1 2.7Å; H186-E193 PolarHBondContact NE2-OE1 3.29Å; H186-T194 WeakPolarHBondContact CA-O 3.22Å
187A83Confident83Confident2 Ų246.2 Ų46.22%0.01724%0.238CC..EExtended strand (participates in β ladder)trans-137.8144.7168.900000110.3A172 Q173 F185 T194A172-A187 HydrophobicContact CB-CB 4.17Å; Q173-A187 WeakPolarHBondContact O-CB 3.43Å; F185-A187 HydrophobicContact CE1-CB 3.53Å; F185-A187 HydrophobicContact CZ-CB 3.72Å; A187-T194 PolarHBondContact N-O 3.26Å; A187-T194 PolarHBondContact O-N 3.06Å
188F74.7Confident83.1Confident131 Ų13147 Ų4758%0.57524%0.242SC*.EExtended strand (participates in β ladder)trans-127.8108.4171.5-172.5-96.7000109E193F188-E193 HydrophobicContact CD2-CB 3.93Å; F188-E193 HydrophobicContact CD2-CG 4.24Å; F188-E193 HydrophobicContact CE2-CB 4.4Å
189M66.6Low82.9Confident67 Ų6748.9 Ų48.933%0.3325%0.25SS..EExtended strand (participates in β ladder)trans-132.5132179-64.5-153-4100111.2P171 A172 Q173 G191 N192P171-M189 WeakPolarHBondContact O-CE 3.45Å; A172-M189 HydrophobicContact CB-CE 4.26Å; Q173-M189 HydrophobicContact CB-SD 4.46Å; M189-G191 PolarHBondContact O-N 2.68Å; M189-N192 PolarHBondContact N-O 3.46Å; M189-N192 PolarHBondContact O-N 3.24Å
190M63.9Low83.1Confident194 Ų19449 Ų4996%0.95625%0.251SS*.THydrogen-bonded Turntrans52.335.7176.5-57.5-173.8-175.300114.6N192M190-N192 PolarHBondContact O-N 2.89Å
191G61.9Low83.2Confident53 Ų5349.9 Ų49.955%0.54626%0.256SS..THydrogen-bonded Turntrans81.7-4-17800000114.8M189M189-G191 PolarHBondContact O-N 2.68Å
192N68.5Low83.4Confident120 Ų12051.4 Ų51.464%0.64227%0.265SS*.EExtended strand (participates in β ladder)trans-98.4122.8174.9-70.7-25.2000110.5M189 M190M189-N192 PolarHBondContact N-O 3.46Å; M189-N192 PolarHBondContact O-N 3.24Å; M190-N192 PolarHBondContact O-N 2.89Å
193E81.3Confident83.5Confident99 Ų9951.3 Ų51.346%0.46326%0.264SS..EExtended strand (participates in β ladder)trans-90.9127.2173.7-163.9178.7-151.100110H186 F188 K195H186-E193 IonicContact CD2-OE1 2.6Å; H186-E193 IonicContact CE1-OE1 2.78Å; H186-E193 IonicContact NE2-OE1 2.7Å; H186-E193 PolarHBondContact NE2-OE1 3.29Å; F188-E193 HydrophobicContact CD2-CB 3.93Å; F188-E193 HydrophobicContact CD2-CG 4.24Å; F188-E193 HydrophobicContact CE2-CB 4.4Å; E193-K195 HydrophobicContact CG-CG 4.33Å; E193-K195 WeakPolarHBondContact OE1-CE 3.34Å; E193-K195 IonicContact OE1-NZ 2.8Å; E193-K195 PolarHBondContact OE1-NZ 2.83Å; E193-K195 WeakPolarHBondContact OE2-CE 3.42Å; E193-K195 IonicContact OE2-NZ 3.76Å; E193-K195 PolarHBondContact OE2-NZ 2.77Å
194T83.7Confident83.2Confident50 Ų5052.6 Ų52.631%0.30727%0.272SS..EExtended strand (participates in β ladder)trans-112120.9173.6-58.60000108.9L165 H186 A187L165-T194 HydrophobicContact CD2-CG2 3.93Å; H186-T194 WeakPolarHBondContact CA-O 3.22Å; A187-T194 PolarHBondContact N-O 3.26Å; A187-T194 PolarHBondContact O-N 3.06Å
195K88.5Confident83Confident95 Ų9556.8 Ų56.841%0.41329%0.288SS..EExtended strand (participates in β ladder)trans-122.4129.9176.2-68.4-179.9176.3164.40109.9S148 F149 F185 E193S148-K195 VanDerWaalsContact O-CD 3.3Å; S148-K195 WeakPolarHBondContact O-CD 3.23Å; S148-K195 WeakPolarHBondContact O-CE 3.37Å; S148-K195 PolarHBondContact O-NZ 2.97Å; F149-K195 HydrophobicContact CE1-CB 4.07Å; F149-K195 HydrophobicContact CE1-CG 4.29Å; F185-K195 CarbonylContact O-C 3.46Å; F185-K195 WeakPolarHBondContact O-CA 3.44Å; E193-K195 HydrophobicContact CG-CG 4.33Å; E193-K195 WeakPolarHBondContact OE1-CE 3.34Å; E193-K195 IonicContact OE1-NZ 2.8Å; E193-K195 PolarHBondContact OE1-NZ 2.83Å; E193-K195 WeakPolarHBondContact OE2-CE 3.42Å; E193-K195 IonicContact OE2-NZ 3.76Å; E193-K195 PolarHBondContact OE2-NZ 2.77Å
196I89.7Confident83Confident15 Ų1557.2 Ų57.28%0.07729%0.29CS..EExtended strand (participates in β ladder)trans-123.9132.3169.9-63.8169000107.2F149 L165 C184 F185 L198 F228 F230F149-I196 VanDerWaalsContact CE1-O 3.24Å; F149-I196 WeakPolarHBondContact CE1-O 3.24Å; L165-I196 HydrophobicContact CD1-CD1 3.78Å; L165-I196 HydrophobicContact CD2-CD1 3.37Å; L165-I196 HydrophobicContact CD2-CG1 4.48Å; L165-I196 HydrophobicContact CG-CD1 4.18Å; C184-I196 CarbonylContact C-O 3.56Å; C184-I196 WeakPolarHBondContact CA-O 3.48Å; F185-I196 HydrophobicContact CB-CB 4.11Å; F185-I196 HydrophobicContact CB-CD1 4.38Å; F185-I196 HydrophobicContact CD1-CD1 4.21Å; F185-I196 PolarHBondContact N-O 3.16Å; F185-I196 PolarHBondContact O-N 2.53Å; I196-L198 HydrophobicContact CG2-CD1 3.97Å; I196-L198 HydrophobicContact CG2-CD2 4.11Å; I196-L198 HydrophobicContact CG2-CG 3.62Å; I196-F228 HydrophobicContact CD1-CD1 3.42Å; I196-F228 VanDerWaalsContact CD1-CD1 3.42Å; I196-F228 HydrophobicContact CD1-CE1 3.62Å; I196-F228 HydrophobicContact CD1-CG 4.37Å; I196-F228 HydrophobicContact CG1-CD1 4.27Å; I196-F228 HydrophobicContact CG1-CE1 3.98Å; I196-F228 HydrophobicContact CG2-CE1 4.29Å; I196-F228 HydrophobicContact CG2-CZ 4.47Å; I196-F230 HydrophobicContact CD1-CZ 4.31Å
197K90.5Very high83Confident74 Ų7457.1 Ų57.132%0.32229%0.289SS..EExtended strand (participates in β ladder)trans-132.3110.5172175.7179.9-179.31760106.7F149 S150 I151 F182F149-K197 HydrophobicContact CD1-CB 4.32Å; F149-K197 WeakPolarHBondContact O-CD 3.42Å; F149-K197 PolarHBondContact O-NZ 3.32Å; S150-K197 PolarHBondContact O-NZ 3.48Å; I151-K197 HydrophobicContact CD1-CD 4.33Å; F182-K197 HydrophobicContact CD1-CG 4.05Å
198L90.7Very high83.3Confident18 Ų1863 Ų639%0.09431%0.311CS..EExtended strand (participates in β ladder)trans-119.1134.7178.5-58.2178.7000108.5F182 L183 I196 I203 V220 T222 F228F182-L198 CarbonylContact C-O 3.36Å; F182-L198 VanDerWaalsContact CA-O 3.28Å; F182-L198 WeakPolarHBondContact CA-O 3.2Å; L183-L198 HydrophobicContact CD2-CD1 4.31Å; L183-L198 PolarHBondContact N-O 2.9Å; L183-L198 PolarHBondContact O-N 2.89Å; I196-L198 HydrophobicContact CG2-CD1 3.97Å; I196-L198 HydrophobicContact CG2-CD2 4.11Å; I196-L198 HydrophobicContact CG2-CG 3.62Å; L198-I203 HydrophobicContact CB-CD1 4.45Å; L198-V220 HydrophobicContact CD1-CG1 3.83Å; L198-T222 HydrophobicContact CD1-CG2 4.11Å; L198-T222 HydrophobicContact CD2-CG2 3.72Å; L198-T222 HydrophobicContact CG-CG2 4.5Å; L198-F228 HydrophobicContact CD1-CD2 3.75Å; L198-F228 HydrophobicContact CD1-CE2 3.86Å; L198-F228 HydrophobicContact CD1-CG 4.47Å; L198-F228 HydrophobicContact CD2-CE2 3.97Å; L198-F228 HydrophobicContact CD2-CZ 4.35Å
199K88.3Confident83.7Confident41 Ų4159.2 Ų59.218%0.17830%0.299CS..EExtended strand (participates in β ladder)trans-79.7147.7166.8-63.6170.8-172.1154.70109.3N181 F182 T201 D202 E830N181-K199 WeakPolarHBondContact O-CA 3.26Å; F182-K199 HydrophobicContact CD1-CB 4.48Å; F182-K199 HydrophobicContact CD1-CG 3.69Å; F182-K199 HydrophobicContact CE1-CD 4.29Å; F182-K199 HydrophobicContact CE1-CG 3.43Å; F182-K199 VanDerWaalsContact CE1-CG 3.43Å; F182-K199 HydrophobicContact CZ-CG 4.37Å; K199-T201 WeakPolarHBondContact CB-OG1 3.5Å; K199-T201 PolarHBondContact O-N 3.35Å; K199-D202 HydrophobicContact CB-CB 4.4Å; K199-D202 PolarHBondContact O-N 3.16Å; K199-D202 VanDerWaalsContact O-N 3.12Å; K199-E830 WeakPolarHBondContact CE-OE1 3.24Å; K199-E830 IonicContact NZ-OE1 3.85Å; K199-E830 PolarHBondContact NZ-OE1 2.83Å; K199-E830 IonicContact NZ-OE2 3.81Å; K199-E830 PolarHBondContact NZ-OE2 2.87Å
200W90.7Very high84.2Confident1 Ų160.4 Ų60.40%0.00431%0.314CS..G310 helixtrans-61.5-31.6173.6-63.7117.8000112.6L178 S179 V180 N181 L183 D202 I203 A243 L246 A247 A250 M251L178-W200 HydrophobicContact CB-CZ2 4.41Å; L178-W200 HydrophobicContact CD2-CH2 3.84Å; L178-W200 HydrophobicContact CD2-CZ2 3.92Å; S179-W200 PolarHBondContact O-NE1 2.8Å; V180-W200 PolarHBondContact O-NE1 3.39Å; N181-W200 PolarHBondContact O-N 2.92Å; L183-W200 HydrophobicContact CB-CH2 3.8Å; L183-W200 HydrophobicContact CB-CZ2 3.87Å; L183-W200 HydrophobicContact CB-CZ3 4.13Å; L183-W200 HydrophobicContact CD1-CH2 3.72Å; L183-W200 HydrophobicContact CD1-CZ3 3.84Å; L183-W200 HydrophobicContact CG-CH2 4.2Å; W200-D202 PolarHBondContact O-N 3.06Å; W200-I203 HydrophobicContact CD2-CD1 4.49Å; W200-I203 HydrophobicContact CE3-CD1 3.62Å; W200-I203 HydrophobicContact CZ3-CD1 3.96Å; W200-I203 PolarHBondContact O-N 2.82Å; W200-A243 HydrophobicContact CH2-CB 3.81Å; W200-A243 HydrophobicContact CZ3-CB 4.19Å; W200-L246 HydrophobicContact CD2-CB 4.1Å; W200-L246 HydrophobicContact CH2-CB 4.29Å; W200-L246 HydrophobicContact CH2-CD1 4.49Å; W200-L246 HydrophobicContact CZ2-CB 3.72Å; W200-L246 HydrophobicContact CZ2-CD1 3.67Å; W200-L246 HydrophobicContact CZ2-CG 4.35Å; W200-A247 HydrophobicContact CE3-CB 3.96Å; W200-A247 HydrophobicContact CZ3-CB 4.37Å; W200-A250 HydrophobicContact CB-CB 3.33Å; W200-A250 HydrophobicContact CG-CB 4.33Å; W200-M251 VanDerWaalsContact O-CE 3.3Å; W200-M251 WeakPolarHBondContact O-CE 3.34Å
201T86.7Confident84.5Confident23 Ų2353.3 Ų53.314%0.14128%0.283CS..G310 helixtrans-64.4-25176.154.20000113.9K199 L254 Q796 L833K199-T201 WeakPolarHBondContact CB-OG1 3.5Å; K199-T201 PolarHBondContact O-N 3.35Å; T201-L254 HydrophobicContact CG2-CD1 4.22Å; T201-L254 HydrophobicContact CG2-CD2 4.16Å; T201-L254 HydrophobicContact CG2-CG 4.27Å; T201-Q796 PolarHBondContact O-NE2 3.23Å; T201-L833 HydrophobicContact CG2-CD1 4.17Å
202D87.4Confident84.4Confident59 Ų5959.3 Ų59.332%0.31630%0.301SS..G310 helixtrans-93.5-7.5-175.1-55.7-12.3000112K199 W200 T222 K223K199-D202 HydrophobicContact CB-CB 4.4Å; K199-D202 PolarHBondContact O-N 3.16Å; K199-D202 VanDerWaalsContact O-N 3.12Å; W200-D202 PolarHBondContact O-N 3.06Å; D202-T222 CarbonylContact O-C 3.47Å; D202-T222 WeakPolarHBondContact O-CA 3.35Å; D202-K223 PolarHBondContact O-N 2.63Å
203I90.7Very high83.8Confident0 Ų060 Ų600%030%0.304CS..EExtended strand (participates in β ladder)trans-85.2117.4-180-66.5172.5000108.7L183 L198 W200 R205 L206 V220 V221 L792 Q796L183-I203 HydrophobicContact CB-CD1 4.5Å; L183-I203 HydrophobicContact CD1-CD1 4.4Å; L198-I203 HydrophobicContact CB-CD1 4.45Å; W200-I203 HydrophobicContact CD2-CD1 4.49Å; W200-I203 HydrophobicContact CE3-CD1 3.62Å; W200-I203 HydrophobicContact CZ3-CD1 3.96Å; W200-I203 PolarHBondContact O-N 2.82Å; I203-R205 WeakPolarHBondContact CG2-O 3.25Å; I203-L206 HydrophobicContact CG2-CB 4.35Å; I203-V220 HydrophobicContact CB-CG1 4.39Å; I203-V220 HydrophobicContact CD1-CG1 3.75Å; I203-V220 HydrophobicContact CG1-CG1 3.7Å; I203-V220 HydrophobicContact CG2-CG1 3.87Å; I203-V221 CarbonylContact C-O 3.41Å; I203-L792 HydrophobicContact CG2-CD2 4.5Å; I203-L792 VanDerWaalsContact O-CD2 3.23Å; I203-L792 WeakPolarHBondContact O-CD2 3.34Å; I203-Q796 VanDerWaalsContact C-NE2 3.29Å; I203-Q796 PolarHBondContact O-NE2 3.17Å
204V87.8Confident83.1Confident28 Ų2857.8 Ų57.817%0.1729%0.293CS..EExtended strand (participates in β ladder)trans-91.9-27.6179.6-54.60000112.9V221 K223 L792V204-V221 HydrophobicContact CG2-CB 3.88Å; V204-V221 HydrophobicContact CG2-CG1 3.84Å; V204-V221 WeakPolarHBondContact CG2-O 3.49Å; V204-V221 PolarHBondContact N-O 3.43Å; V204-K223 HydrophobicContact CG1-CB 4.22Å; V204-K223 HydrophobicContact CG1-CG 3.62Å; V204-L792 WeakPolarHBondContact O-CB 3.1Å
205R88.6Confident82.2Confident88 Ų8859.6 Ų59.633%0.33231%0.305SS..EExtended strand (participates in β ladder)trans-142132.5178.9-65166.662.5-178-3.3109.8I203 E207 V220 V221I203-R205 WeakPolarHBondContact CG2-O 3.25Å; R205-E207 IonicContact CZ-OE1 3.13Å; R205-E207 IonicContact CZ-OE2 3.58Å; R205-E207 IonicContact NE-OE1 2.88Å; R205-E207 PolarHBondContact NE-OE1 3.05Å; R205-E207 IonicContact NE-OE2 2.69Å; R205-E207 VanDerWaalsContact NH2-CD 3.3Å; R205-E207 IonicContact NH2-OE1 3.89Å; R205-E207 PolarHBondContact NH2-OE1 3.13Å; R205-E207 IonicContact NH2-OE2 3.04Å; R205-E207 PolarHBondContact NH2-OE2 3.33Å; R205-V220 WeakPolarHBondContact O-CA 3.27Å; R205-V221 HydrophobicContact CB-CB 3.96Å; R205-V221 HydrophobicContact CB-CG2 3.97Å; R205-V221 PolarHBondContact N-O 3.36Å; R205-V221 PolarHBondContact O-N 2.94Å
206L92.3Very high81.8Confident9 Ų959.8 Ų59.85%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-129.5103.7172.2-177.868.8000107.4I203 I218 L219 V220 F240 A243 A247 L792I203-L206 HydrophobicContact CG2-CB 4.35Å; L206-I218 HydrophobicContact CD1-CG2 3.55Å; L206-L219 WeakPolarHBondContact CA-O 3.47Å; L206-V220 HydrophobicContact CD1-CG2 3.83Å; L206-F240 HydrophobicContact CG-CE2 4.14Å; L206-A243 HydrophobicContact CD2-CB 4.18Å; L206-A247 HydrophobicContact CD2-CB 4.06Å; L206-L792 HydrophobicContact CB-CD1 4.19Å
207E88.6Confident81.7Confident32 Ų3259.3 Ų59.315%0.1531%0.305CS..EExtended strand (participates in β ladder)trans-127.5141.6-169.4-71.4173.9-171.700112R205 V209 L219 K789R205-E207 IonicContact CZ-OE1 3.13Å; R205-E207 IonicContact CZ-OE2 3.58Å; R205-E207 IonicContact NE-OE1 2.88Å; R205-E207 PolarHBondContact NE-OE1 3.05Å; R205-E207 IonicContact NE-OE2 2.69Å; R205-E207 VanDerWaalsContact NH2-CD 3.3Å; R205-E207 IonicContact NH2-OE1 3.89Å; R205-E207 PolarHBondContact NH2-OE1 3.13Å; R205-E207 IonicContact NH2-OE2 3.04Å; R205-E207 PolarHBondContact NH2-OE2 3.33Å; E207-V209 HydrophobicContact CB-CG2 4.36Å; E207-V209 PolarHBondContact O-N 3.36Å; E207-L219 PolarHBondContact N-O 2.82Å; E207-L219 PolarHBondContact O-N 3.49Å; E207-K789 WeakPolarHBondContact OE1-CE 3.46Å
208R87.9Confident81.8Confident126 Ų12656 Ų5648%0.47529%0.291SS..EExtended strand (participates in β ladder)trans-77.6115.5164.9175.5-173.6-107.1-125.7-0.2108.1F236 E237 F240R208-F236 HydrophobicContact CB-CZ 4.32Å; R208-F236 HydrophobicContact CG-CE1 4.13Å; R208-F236 HydrophobicContact CG-CZ 3.85Å; R208-F236 VanDerWaalsContact NH2-CE1 3.31Å; R208-E237 IonicContact CZ-OE2 2.74Å; R208-E237 IonicContact NH2-OE2 3.48Å; R208-E237 PolarHBondContact NH2-OE2 3.39Å; R208-F240 HydrophobicContact CB-CE2 4.36Å; R208-F240 HydrophobicContact CB-CZ 4.22Å
209V83.8Confident81.8Confident51 Ų5156.4 Ų56.431%0.30929%0.294SS..EExtended strand (participates in β ladder)trans-115133.1176.1-176.50000108.9E207 S217 L219E207-V209 HydrophobicContact CB-CG2 4.36Å; E207-V209 PolarHBondContact O-N 3.36Å; V209-S217 PolarHBondContact N-O 3.42Å; V209-S217 WeakPolarHBondContact O-CA 3.35Å; V209-S217 WeakPolarHBondContact O-CB 3.41Å; V209-S217 PolarHBondContact O-N 3.01Å; V209-L219 HydrophobicContact CG2-CB 3.61Å; V209-L219 HydrophobicContact CG2-CD2 4.01Å; V209-L219 HydrophobicContact CG2-CG 4.47Å
210S77.9Confident82.1Confident92 Ų9254.5 Ų54.564%0.64329%0.285SS*.  trans-122.9125.6170.8-163.90000108.5
211S69.8Low82.1Confident45 Ų4554.6 Ų54.632%0.31529%0.286SS..  trans-135.6163.5172.570.90000109.6L213 F214S211-L213 PolarHBondContact O-N 2.77Å; S211-F214 PolarHBondContact N-O 3Å; S211-F214 VanDerWaalsContact N-O 3.08Å; S211-F214 CarbonylContact O-C 3.59Å; S211-F214 PolarHBondContact O-N 2.92Å; S211-F214 WeakPolarHBondContact OG-CB 3.43Å; S211-F214 VanDerWaalsContact OG-CD2 3.25Å; S211-F214 WeakPolarHBondContact OG-CD2 3.4Å; S211-F214 PolarHBondContact OG-N 2.64Å
212I59.6Low82.3Confident179 Ų17953.9 Ų53.992%0.91828%0.281SS*.SBendtrans-56.2-34.6177.7-61.4171.6000111.1
213L56.3Low82.2Confident135 Ų13554.8 Ų54.871%0.70728%0.283SS*.SBendtrans-83.7-26.2179.3-67.4171.5000113.2S211S211-L213 PolarHBondContact O-N 2.77Å
214F65.2Low81.8Confident52 Ų5261.5 Ų61.523%0.22831%0.314CS..SBendtrans-137.478.7-172.9-42.1-66000110.2W166 S211 Q216 S217W166-F214 AromaticContact CD2-CD1 3.79Å; W166-F214 HydrophobicContact CD2-CD1 3.79Å; W166-F214 AromaticContact CD2-CE1 3.35Å; W166-F214 HydrophobicContact CD2-CE1 3.35Å; W166-F214 HydrophobicContact CD2-CZ 4.31Å; W166-F214 AromaticContact CE2-CD1 3.45Å; W166-F214 VanDerWaalsContact CE2-CD1 3.45Å; W166-F214 AromaticContact CE2-CE1 3.49Å; W166-F214 VanDerWaalsContact CE2-CE1 3.49Å; W166-F214 HydrophobicContact CE3-CD1 4.34Å; W166-F214 AromaticContact CE3-CE1 3.51Å; W166-F214 HydrophobicContact CE3-CE1 3.51Å; W166-F214 HydrophobicContact CE3-CZ 4.3Å; W166-F214 HydrophobicContact CG-CD1 4.13Å; W166-F214 AromaticContact CG-CE1 3.87Å; W166-F214 HydrophobicContact CG-CE1 3.87Å; W166-F214 HydrophobicContact CH2-CD1 4.29Å; W166-F214 AromaticContact CH2-CE1 3.91Å; W166-F214 HydrophobicContact CH2-CE1 3.91Å; W166-F214 AromaticContact CZ2-CD1 3.75Å; W166-F214 HydrophobicContact CZ2-CD1 3.75Å; W166-F214 AromaticContact CZ2-CE1 3.78Å; W166-F214 HydrophobicContact CZ2-CE1 3.78Å; W166-F214 AromaticContact CZ3-CE1 3.78Å; W166-F214 HydrophobicContact CZ3-CE1 3.78Å; W166-F214 AromaticContact NE1-CD1 3.59Å; W166-F214 AromaticContact NE1-CE1 3.98Å; S211-F214 PolarHBondContact N-O 3Å; S211-F214 VanDerWaalsContact N-O 3.08Å; S211-F214 CarbonylContact O-C 3.59Å; S211-F214 PolarHBondContact O-N 2.92Å; S211-F214 WeakPolarHBondContact OG-CB 3.43Å; S211-F214 VanDerWaalsContact OG-CD2 3.25Å; S211-F214 WeakPolarHBondContact OG-CD2 3.4Å; S211-F214 PolarHBondContact OG-N 2.64Å; F214-Q216 PolarHBondContact O-N 3.07Å; F214-S217 WeakPolarHBondContact CB-OG 3.47Å; F214-S217 PolarHBondContact O-OG 3.45Å
215P65.1Low81.8Confident88 Ų8865 Ų6557%0.57133%0.332SS*.SBendtrans-67.6133.7175.627.2-32.3000109.7
216Q79.8Confident81.9Confident100 Ų10066 Ų6647%0.46734%0.339SS..SBendtrans52.570.1176.2-60.7-177.1-17.600113.3F214 F236F214-Q216 PolarHBondContact O-N 3.07Å; Q216-F236 HydrophobicContact CB-CB 4.37Å; Q216-F236 HydrophobicContact CB-CD1 4.4Å; Q216-F236 HydrophobicContact CB-CD2 3.72Å; Q216-F236 HydrophobicContact CB-CE2 4.12Å; Q216-F236 HydrophobicContact CB-CG 3.87Å; Q216-F236 WeakPolarHBondContact O-CD2 2.94Å; Q216-F236 VanDerWaalsContact O-CE2 3.22Å; Q216-F236 WeakPolarHBondContact O-CE2 3.23Å
217S87.9Confident81.8Confident4 Ų471.6 Ų71.63%0.02836%0.362CS..EExtended strand (participates in β ladder)trans-110.3148.6180-54.10000112V209 F214 F230 S231V209-S217 PolarHBondContact N-O 3.42Å; V209-S217 WeakPolarHBondContact O-CA 3.35Å; V209-S217 WeakPolarHBondContact O-CB 3.41Å; V209-S217 PolarHBondContact O-N 3.01Å; F214-S217 WeakPolarHBondContact CB-OG 3.47Å; F214-S217 PolarHBondContact O-OG 3.45Å; S217-F230 CarbonylContact C-O 3.53Å; S217-F230 WeakPolarHBondContact CA-O 3.35Å; S217-F230 VanDerWaalsContact CB-O 3.28Å; S217-F230 WeakPolarHBondContact CB-O 3.37Å; S217-S231 VanDerWaalsContact OG-CB 3.27Å; S217-S231 WeakPolarHBondContact OG-CB 2.8Å
218I92.2Very high82Confident5 Ų571.8 Ų71.83%0.02636%0.363CS..EExtended strand (participates in β ladder)trans-101114.9170.3-54.9-177.3000107.2L206 V220 F230 F233 F236 T239 F240L206-I218 HydrophobicContact CD1-CG2 3.55Å; I218-V220 HydrophobicContact CG2-CG2 4.19Å; I218-F230 HydrophobicContact CB-CB 4.48Å; I218-F230 PolarHBondContact N-O 3.09Å; I218-F230 PolarHBondContact O-N 3.33Å; I218-F233 HydrophobicContact CB-CE2 4.3Å; I218-F233 HydrophobicContact CB-CZ 4.45Å; I218-F233 HydrophobicContact CD1-CE1 4.4Å; I218-F233 HydrophobicContact CD1-CE2 3.82Å; I218-F233 HydrophobicContact CD1-CZ 3.69Å; I218-F233 HydrophobicContact CG1-CE2 3.73Å; I218-F233 HydrophobicContact CG1-CZ 4.04Å; I218-F236 HydrophobicContact CD1-CE2 4.36Å; I218-F236 HydrophobicContact CG1-CD2 4.37Å; I218-F236 HydrophobicContact CG1-CE2 3.57Å; I218-F236 HydrophobicContact CG1-CZ 4.02Å; I218-T239 HydrophobicContact CD1-CG2 4.04Å; I218-F240 HydrophobicContact CD1-CB 4.02Å; I218-F240 HydrophobicContact CD1-CD2 4.07Å; I218-F240 HydrophobicContact CG1-CB 4.45Å; I218-F240 HydrophobicContact CG1-CD2 3.93Å; I218-F240 HydrophobicContact CG2-CD2 4.21Å
219L91.9Very high82.1Confident27 Ų2767.6 Ų67.614%0.14135%0.353CS..EExtended strand (participates in β ladder)trans-93.9123.2171.5175.764.7000109.1L206 E207 V209 V221 K227L206-L219 WeakPolarHBondContact CA-O 3.47Å; E207-L219 PolarHBondContact N-O 2.82Å; E207-L219 PolarHBondContact O-N 3.49Å; V209-L219 HydrophobicContact CG2-CB 3.61Å; V209-L219 HydrophobicContact CG2-CD2 4.01Å; V209-L219 HydrophobicContact CG2-CG 4.47Å; L219-V221 HydrophobicContact CD1-CG2 4.4Å; L219-V221 HydrophobicContact CD2-CG2 4.32Å; L219-V221 HydrophobicContact CG-CG2 4.12Å; L219-K227 HydrophobicContact CD1-CB 4.33Å
220V93.7Very high82.4Confident0 Ų065.2 Ų65.20%034%0.339CS..EExtended strand (participates in β ladder)trans-111.7125.4173.2-176.10000108.4L183 L198 I203 R205 L206 I218 K227 F228 F230L183-V220 HydrophobicContact CD1-CG2 4.22Å; L198-V220 HydrophobicContact CD1-CG1 3.83Å; I203-V220 HydrophobicContact CB-CG1 4.39Å; I203-V220 HydrophobicContact CD1-CG1 3.75Å; I203-V220 HydrophobicContact CG1-CG1 3.7Å; I203-V220 HydrophobicContact CG2-CG1 3.87Å; R205-V220 WeakPolarHBondContact O-CA 3.27Å; L206-V220 HydrophobicContact CD1-CG2 3.83Å; I218-V220 HydrophobicContact CG2-CG2 4.19Å; V220-K227 WeakPolarHBondContact O-CA 3.41Å; V220-F228 HydrophobicContact CB-CB 4.33Å; V220-F228 PolarHBondContact N-O 3.02Å; V220-F228 PolarHBondContact O-N 3.29Å; V220-F230 HydrophobicContact CB-CE2 4.45Å; V220-F230 HydrophobicContact CG2-CD2 4.15Å; V220-F230 HydrophobicContact CG2-CE2 3.92Å
221V91.9Very high82.9Confident3 Ų361 Ų612%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-116.4133.9172-1690000108.6I203 V204 R205 L219 K226 K227I203-V221 CarbonylContact C-O 3.41Å; V204-V221 HydrophobicContact CG2-CB 3.88Å; V204-V221 HydrophobicContact CG2-CG1 3.84Å; V204-V221 WeakPolarHBondContact CG2-O 3.49Å; V204-V221 PolarHBondContact N-O 3.43Å; R205-V221 HydrophobicContact CB-CB 3.96Å; R205-V221 HydrophobicContact CB-CG2 3.97Å; R205-V221 PolarHBondContact N-O 3.36Å; R205-V221 PolarHBondContact O-N 2.94Å; L219-V221 HydrophobicContact CD1-CG2 4.4Å; L219-V221 HydrophobicContact CD2-CG2 4.32Å; L219-V221 HydrophobicContact CG-CG2 4.12Å; V221-K226 WeakPolarHBondContact CA-O 3.47Å; V221-K227 HydrophobicContact CG1-CG 4.19Å; V221-K227 HydrophobicContact CG2-CG 4.14Å
222T90.9Very high83.5Confident8 Ų864.8 Ų64.85%0.04932%0.323CS..EExtended strand (participates in β ladder)trans-97.6169.3178.666.80000112.1L198 D202 E224 D225 K226 F228L198-T222 HydrophobicContact CD1-CG2 4.11Å; L198-T222 HydrophobicContact CD2-CG2 3.72Å; L198-T222 HydrophobicContact CG-CG2 4.5Å; D202-T222 CarbonylContact O-C 3.47Å; D202-T222 WeakPolarHBondContact O-CA 3.35Å; T222-E224 PolarHBondContact O-N 3.05Å; T222-D225 WeakPolarHBondContact O-CA 3.27Å; T222-D225 PolarHBondContact O-N 3.07Å; T222-K226 HydrophobicContact CG2-CB 4.46Å; T222-K226 PolarHBondContact N-O 2.92Å; T222-K226 WeakPolarHBondContact OG1-CB 3.49Å; T222-K226 PolarHBondContact OG1-N 3.48Å; T222-F228 HydrophobicContact CG2-CD2 4.35Å; T222-F228 HydrophobicContact CG2-CE2 3.84Å
223K83.9Confident84.6Confident78 Ų7857.3 Ų57.334%0.33928%0.284SS..THydrogen-bonded Turntrans-51.1-37172-72.5-166.4170.5-152.50114D202 V204 D225 D800D202-K223 PolarHBondContact O-N 2.63Å; V204-K223 HydrophobicContact CG1-CB 4.22Å; V204-K223 HydrophobicContact CG1-CG 3.62Å; K223-D225 PolarHBondContact O-N 3.46Å; K223-D225 VanDerWaalsContact O-N 3.16Å; K223-D800 IonicContact NZ-OD1 3.28Å; K223-D800 PolarHBondContact NZ-OD1 3.32Å
224E83.7Confident85.5Confident141 Ų14158.1 Ų58.166%0.65929%0.288SS*.THydrogen-bonded Turntrans-79.417.7176.9-57177.4175.700114.5T222 K226T222-E224 PolarHBondContact O-N 3.05Å; E224-K226 HydrophobicContact CB-CD 4.44Å; E224-K226 HydrophobicContact CB-CG 4.31Å; E224-K226 PolarHBondContact O-N 3.16Å; E224-K226 WeakPolarHBondContact OE2-CE 3.44Å; E224-K226 IonicContact OE2-NZ 3.5Å; E224-K226 PolarHBondContact OE2-NZ 3.27Å
225D86.4Confident86Confident103 Ų10360 Ų6055%0.55130%0.301SS*.  trans53.323.4-173.7-164.837.8000114.9T222 K223 K227T222-D225 WeakPolarHBondContact O-CA 3.27Å; T222-D225 PolarHBondContact O-N 3.07Å; K223-D225 PolarHBondContact O-N 3.46Å; K223-D225 VanDerWaalsContact O-N 3.16Å; D225-K227 WeakPolarHBondContact OD1-CE 3.36Å; D225-K227 IonicContact OD1-NZ 3.64Å; D225-K227 IonicContact OD2-NZ 2.74Å
226K90.4Very high87.1Confident109 Ų10956.2 Ų56.247%0.47428%0.275SS..  trans-75.6130.4171.7-62.7172.4173.4162.40109.5V221 T222 E224 F228V221-K226 WeakPolarHBondContact CA-O 3.47Å; T222-K226 HydrophobicContact CG2-CB 4.46Å; T222-K226 PolarHBondContact N-O 2.92Å; T222-K226 WeakPolarHBondContact OG1-CB 3.49Å; T222-K226 PolarHBondContact OG1-N 3.48Å; E224-K226 HydrophobicContact CB-CD 4.44Å; E224-K226 HydrophobicContact CB-CG 4.31Å; E224-K226 PolarHBondContact O-N 3.16Å; E224-K226 WeakPolarHBondContact OE2-CE 3.44Å; E224-K226 IonicContact OE2-NZ 3.5Å; E224-K226 PolarHBondContact OE2-NZ 3.27Å; K226-F228 HydrophobicContact CB-CE2 3.75Å; K226-F228 HydrophobicContact CB-CZ 4.05Å
227K91.4Very high87.3Confident125 Ų12556.2 Ų56.254%0.54328%0.275SS..EExtended strand (participates in β ladder)trans-111.5127.2-175.6-60.4177.4-175.6161.40110.6L219 V220 V221 D225L219-K227 HydrophobicContact CD1-CB 4.33Å; V220-K227 WeakPolarHBondContact O-CA 3.41Å; V221-K227 HydrophobicContact CG1-CG 4.19Å; V221-K227 HydrophobicContact CG2-CG 4.14Å; D225-K227 WeakPolarHBondContact OD1-CE 3.36Å; D225-K227 IonicContact OD1-NZ 3.64Å; D225-K227 IonicContact OD2-NZ 2.74Å
228F91.7Very high87.3Confident37 Ų3758.8 Ų58.816%0.16229%0.287CS..EExtended strand (participates in β ladder)trans-124.7119.8177.8-55.4-85.3000109.6L165 I196 L198 V220 T222 K226 F230L165-F228 HydrophobicContact CD1-CB 4.11Å; L165-F228 HydrophobicContact CD1-CD1 4.18Å; I196-F228 HydrophobicContact CD1-CD1 3.42Å; I196-F228 VanDerWaalsContact CD1-CD1 3.42Å; I196-F228 HydrophobicContact CD1-CE1 3.62Å; I196-F228 HydrophobicContact CD1-CG 4.37Å; I196-F228 HydrophobicContact CG1-CD1 4.27Å; I196-F228 HydrophobicContact CG1-CE1 3.98Å; I196-F228 HydrophobicContact CG2-CE1 4.29Å; I196-F228 HydrophobicContact CG2-CZ 4.47Å; L198-F228 HydrophobicContact CD1-CD2 3.75Å; L198-F228 HydrophobicContact CD1-CE2 3.86Å; L198-F228 HydrophobicContact CD1-CG 4.47Å; L198-F228 HydrophobicContact CD2-CE2 3.97Å; L198-F228 HydrophobicContact CD2-CZ 4.35Å; V220-F228 HydrophobicContact CB-CB 4.33Å; V220-F228 PolarHBondContact N-O 3.02Å; V220-F228 PolarHBondContact O-N 3.29Å; T222-F228 HydrophobicContact CG2-CD2 4.35Å; T222-F228 HydrophobicContact CG2-CE2 3.84Å; K226-F228 HydrophobicContact CB-CE2 3.75Å; K226-F228 HydrophobicContact CB-CZ 4.05Å; F228-F230 HydrophobicContact CB-CD2 4.46Å; F228-F230 HydrophobicContact CB-CE2 3.66Å; F228-F230 HydrophobicContact CB-CZ 4Å
229S90.4Very high87.1Confident38 Ų3858.6 Ų58.627%0.26629%0.286SS..EExtended strand (participates in β ladder)trans-107.9114.3178.8-620000109.8W166W166-S229 PolarHBondContact N-O 3.38Å
230F91.1Very high87.1Confident1 Ų158.4 Ų58.40%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-105.3140.2175.8-56.6-85.2000110.2C164 L165 L176 L183 F185 I196 S217 I218 V220 F228 F233C164-F230 CarbonylContact O-C 3.56Å; C164-F230 VanDerWaalsContact O-CA 3.3Å; C164-F230 WeakPolarHBondContact O-CA 3.39Å; L165-F230 HydrophobicContact CB-CD1 4.18Å; L165-F230 HydrophobicContact CB-CE1 4.12Å; L165-F230 HydrophobicContact CD1-CD1 4.02Å; L165-F230 HydrophobicContact CD1-CE1 3.59Å; L165-F230 HydrophobicContact CD1-CZ 3.88Å; L165-F230 HydrophobicContact CG-CE1 4.4Å; L176-F230 HydrophobicContact CD1-CD1 4.32Å; L176-F230 HydrophobicContact CD1-CE1 4.01Å; L176-F230 HydrophobicContact CD1-CZ 4.16Å; L183-F230 HydrophobicContact CD2-CE2 4.4Å; L183-F230 HydrophobicContact CD2-CZ 4.23Å; F185-F230 HydrophobicContact CB-CE1 3.8Å; F185-F230 HydrophobicContact CB-CZ 4.29Å; F185-F230 HydrophobicContact CD1-CE1 4.41Å; F185-F230 HydrophobicContact CD2-CD1 4.14Å; F185-F230 AromaticContact CD2-CE1 3.77Å; F185-F230 HydrophobicContact CD2-CE1 3.77Å; F185-F230 HydrophobicContact CE2-CE1 4.46Å; F185-F230 AromaticContact CG-CE1 3.74Å; F185-F230 HydrophobicContact CG-CE1 3.74Å; I196-F230 HydrophobicContact CD1-CZ 4.31Å; S217-F230 CarbonylContact C-O 3.53Å; S217-F230 WeakPolarHBondContact CA-O 3.35Å; S217-F230 VanDerWaalsContact CB-O 3.28Å; S217-F230 WeakPolarHBondContact CB-O 3.37Å; I218-F230 HydrophobicContact CB-CB 4.48Å; I218-F230 PolarHBondContact N-O 3.09Å; I218-F230 PolarHBondContact O-N 3.33Å; V220-F230 HydrophobicContact CB-CE2 4.45Å; V220-F230 HydrophobicContact CG2-CD2 4.15Å; V220-F230 HydrophobicContact CG2-CE2 3.92Å; F228-F230 HydrophobicContact CB-CD2 4.46Å; F228-F230 HydrophobicContact CB-CE2 3.66Å; F228-F230 HydrophobicContact CB-CZ 4Å; F230-F233 HydrophobicContact CB-CE2 3.84Å; F230-F233 HydrophobicContact CB-CZ 3.49Å; F230-F233 VanDerWaalsContact CB-CZ 3.49Å; F230-F233 WeakPolarHBondContact O-CE2 3.47Å
231S88Confident86.8Confident2 Ų261.3 Ų61.31%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-153.9-172.2179.673.80000111.5C163 C164 W166 S217 F233C163-S231 WeakPolarHBondContact CB-O 3.38Å; C164-S231 PolarHBondContact N-O 3.11Å; C164-S231 PolarHBondContact O-N 3.43Å; W166-S231 PolarHBondContact NE1-OG 3.1Å; S217-S231 VanDerWaalsContact OG-CB 3.27Å; S217-S231 WeakPolarHBondContact OG-CB 2.8Å; S231-F233 PolarHBondContact O-N 2.94Å
232M81.8Confident86.8Confident126 Ų12661.3 Ų61.362%0.62130%0.297SS*.  trans59.137.5178.8-55.5-17771.600112.2C164C164-M232 HydrophobicContact CB-CB 4.4Å; C164-M232 HydrophobicContact CB-CG 4.43Å; C164-M232 HydrophobicContact CB-SD 4.15Å; C164-M232 VanDerWaalsContact SG-SD 3.64Å
233F81.8Confident86.8Confident21 Ų2161 Ų619%0.09230%0.296CS..  trans-72.5141.9174.6-65.1-84000110.6C163 L176 I218 F230 S231 F236 T239C163-F233 HydrophobicContact CB-CD1 3.57Å; C163-F233 HydrophobicContact CB-CE1 3.32Å; C163-F233 HydrophobicContact CB-CE2 4.35Å; C163-F233 HydrophobicContact CB-CG 4.19Å; C163-F233 HydrophobicContact CB-CZ 3.77Å; L176-F233 HydrophobicContact CD2-CE1 3.81Å; L176-F233 HydrophobicContact CD2-CZ 4.11Å; I218-F233 HydrophobicContact CB-CE2 4.3Å; I218-F233 HydrophobicContact CB-CZ 4.45Å; I218-F233 HydrophobicContact CD1-CE1 4.4Å; I218-F233 HydrophobicContact CD1-CE2 3.82Å; I218-F233 HydrophobicContact CD1-CZ 3.69Å; I218-F233 HydrophobicContact CG1-CE2 3.73Å; I218-F233 HydrophobicContact CG1-CZ 4.04Å; F230-F233 HydrophobicContact CB-CE2 3.84Å; F230-F233 HydrophobicContact CB-CZ 3.49Å; F230-F233 VanDerWaalsContact CB-CZ 3.49Å; F230-F233 WeakPolarHBondContact O-CE2 3.47Å; S231-F233 PolarHBondContact O-N 2.94Å; F233-F236 HydrophobicContact CB-CB 4.17Å; F233-F236 AromaticContact CD2-CD2 3.78Å; F233-F236 HydrophobicContact CD2-CD2 3.78Å; F233-F236 HydrophobicContact CD2-CE2 4.41Å; F233-F236 HydrophobicContact CE2-CD2 4.38Å; F233-F236 HydrophobicContact CG-CD2 4.49Å; F233-T239 HydrophobicContact CD1-CG2 3.88Å; F233-T239 HydrophobicContact CE1-CG2 3.65Å; F233-T239 HydrophobicContact CZ-CG2 4.34Å
234L75.3Confident87.2Confident153 Ų15357.8 Ų57.880%0.80128%0.283SS*.SBendtrans-67.5-44.9170.1-67.2173.3000111.2
235N77.6Confident87.4Confident91 Ų9152.4 Ų52.449%0.48726%0.258SS..SBendtrans-123.477.2177.9-66.1-15.2000109.6E237 E238 T239N235-E237 PolarHBondContact O-N 3.45Å; N235-E238 HydrophobicContact CB-CB 4.09Å; N235-E238 PolarHBondContact ND2-OE2 3.03Å; N235-T239 WeakPolarHBondContact O-CB 3.48Å; N235-T239 PolarHBondContact O-N 3.07Å; N235-T239 VanDerWaalsContact O-N 3.14Å; N235-T239 PolarHBondContact O-OG1 3.04Å
236F86.4Confident87.6Confident8 Ų847.6 Ų47.64%0.03523%0.232CC..Hα-helixtrans-55.9-49.4-177.5176.3-85.6000112.4R208 Q216 I218 F233 E238 T239 F240R208-F236 HydrophobicContact CB-CZ 4.32Å; R208-F236 HydrophobicContact CG-CE1 4.13Å; R208-F236 HydrophobicContact CG-CZ 3.85Å; R208-F236 VanDerWaalsContact NH2-CE1 3.31Å; Q216-F236 HydrophobicContact CB-CB 4.37Å; Q216-F236 HydrophobicContact CB-CD1 4.4Å; Q216-F236 HydrophobicContact CB-CD2 3.72Å; Q216-F236 HydrophobicContact CB-CE2 4.12Å; Q216-F236 HydrophobicContact CB-CG 3.87Å; Q216-F236 WeakPolarHBondContact O-CD2 2.94Å; Q216-F236 VanDerWaalsContact O-CE2 3.22Å; Q216-F236 WeakPolarHBondContact O-CE2 3.23Å; I218-F236 HydrophobicContact CD1-CE2 4.36Å; I218-F236 HydrophobicContact CG1-CD2 4.37Å; I218-F236 HydrophobicContact CG1-CE2 3.57Å; I218-F236 HydrophobicContact CG1-CZ 4.02Å; F233-F236 HydrophobicContact CB-CB 4.17Å; F233-F236 AromaticContact CD2-CD2 3.78Å; F233-F236 HydrophobicContact CD2-CD2 3.78Å; F233-F236 HydrophobicContact CD2-CE2 4.41Å; F233-F236 HydrophobicContact CE2-CD2 4.38Å; F233-F236 HydrophobicContact CG-CD2 4.49Å; F236-E238 PolarHBondContact O-N 2.74Å; F236-T239 PolarHBondContact O-N 3.38Å; F236-T239 VanDerWaalsContact O-N 3.17Å; F236-F240 HydrophobicContact CD1-CB 4.48Å; F236-F240 HydrophobicContact CE1-CB 3.86Å; F236-F240 HydrophobicContact CE1-CG 4.25Å; F236-F240 HydrophobicContact CZ-CB 4.02Å; F236-F240 HydrophobicContact CZ-CD2 4.38Å; F236-F240 HydrophobicContact CZ-CG 4.22Å; F236-F240 PolarHBondContact O-N 3.12Å
237E85.4Confident87.6Confident100 Ų10042.4 Ų42.447%0.46721%0.21SC..Hα-helixtrans-62.9-48-171.4-165.356.7-144.900111.7R208 N235 T239 F240 Q241R208-E237 IonicContact CZ-OE2 2.74Å; R208-E237 IonicContact NH2-OE2 3.48Å; R208-E237 PolarHBondContact NH2-OE2 3.39Å; N235-E237 PolarHBondContact O-N 3.45Å; E237-T239 VanDerWaalsContact C-N 3.3Å; E237-T239 PolarHBondContact O-N 3.09Å; E237-F240 PolarHBondContact O-N 2.89Å; E237-Q241 WeakPolarHBondContact O-CB 3.49Å; E237-Q241 PolarHBondContact O-N 3.46Å
238E86.3Confident87.4Confident59 Ų5938.3 Ų38.328%0.27619%0.194SC..Hα-helixtrans-59.2-41.8175.5-177-177.3-168.400112Y161 N235 F236 L242 K288Y161-E238 HydrophobicContact CE1-CG 4.35Å; N235-E238 HydrophobicContact CB-CB 4.09Å; N235-E238 PolarHBondContact ND2-OE2 3.03Å; F236-E238 PolarHBondContact O-N 2.74Å; E238-L242 WeakPolarHBondContact O-CB 3.49Å; E238-L242 PolarHBondContact O-N 2.77Å; E238-K288 WeakPolarHBondContact OE1-CE 3.42Å; E238-K288 IonicContact OE1-NZ 2.53Å; E238-K288 PolarHBondContact OE1-NZ 2.9Å
239T89.6Confident87Confident0 Ų038.2 Ų38.20%019%0.194CC..Hα-helixtrans-66-48.2-179.7-51.20000111.2Y161 L176 I218 F233 N235 F236 E237 L242 A243Y161-T239 HydrophobicContact CD1-CG2 4.28Å; Y161-T239 WeakPolarHBondContact CD1-OG1 3.35Å; Y161-T239 HydrophobicContact CD2-CG2 3.73Å; Y161-T239 WeakPolarHBondContact CE1-OG1 3.41Å; Y161-T239 HydrophobicContact CE2-CG2 4.15Å; Y161-T239 HydrophobicContact CG-CG2 3.8Å; L176-T239 HydrophobicContact CD2-CG2 4.2Å; I218-T239 HydrophobicContact CD1-CG2 4.04Å; F233-T239 HydrophobicContact CD1-CG2 3.88Å; F233-T239 HydrophobicContact CE1-CG2 3.65Å; F233-T239 HydrophobicContact CZ-CG2 4.34Å; N235-T239 WeakPolarHBondContact O-CB 3.48Å; N235-T239 PolarHBondContact O-N 3.07Å; N235-T239 VanDerWaalsContact O-N 3.14Å; N235-T239 PolarHBondContact O-OG1 3.04Å; F236-T239 PolarHBondContact O-N 3.38Å; F236-T239 VanDerWaalsContact O-N 3.17Å; E237-T239 VanDerWaalsContact C-N 3.3Å; E237-T239 PolarHBondContact O-N 3.09Å; T239-L242 PolarHBondContact O-N 3.31Å; T239-A243 WeakPolarHBondContact O-CB 3.43Å; T239-A243 PolarHBondContact O-N 3.46Å
240F91.1Very high86.7Confident24 Ų2436.5 Ų36.511%0.10518%0.182CC..Hα-helixtrans-66.9-41-178.7-177-103.2000111.5L206 R208 I218 F236 E237 A243 S244L206-F240 HydrophobicContact CG-CE2 4.14Å; R208-F240 HydrophobicContact CB-CE2 4.36Å; R208-F240 HydrophobicContact CB-CZ 4.22Å; I218-F240 HydrophobicContact CD1-CB 4.02Å; I218-F240 HydrophobicContact CD1-CD2 4.07Å; I218-F240 HydrophobicContact CG1-CB 4.45Å; I218-F240 HydrophobicContact CG1-CD2 3.93Å; I218-F240 HydrophobicContact CG2-CD2 4.21Å; F236-F240 HydrophobicContact CD1-CB 4.48Å; F236-F240 HydrophobicContact CE1-CB 3.86Å; F236-F240 HydrophobicContact CE1-CG 4.25Å; F236-F240 HydrophobicContact CZ-CB 4.02Å; F236-F240 HydrophobicContact CZ-CD2 4.38Å; F236-F240 HydrophobicContact CZ-CG 4.22Å; F236-F240 PolarHBondContact O-N 3.12Å; E237-F240 PolarHBondContact O-N 2.89Å; F240-A243 PolarHBondContact O-N 3.34Å; F240-S244 WeakPolarHBondContact O-CB 3.36Å; F240-S244 PolarHBondContact O-N 2.93Å; F240-S244 PolarHBondContact O-OG 3Å
241Q88.1Confident86.4Confident61 Ų6136.4 Ų36.429%0.28518%0.182SC..Hα-helixtrans-61.4-45.1175.9-175-176.28.900111.5E237 S244 Q245 H295E237-Q241 WeakPolarHBondContact O-CB 3.49Å; E237-Q241 PolarHBondContact O-N 3.46Å; Q241-S244 WeakPolarHBondContact O-CB 3.25Å; Q241-S244 PolarHBondContact O-N 3.16Å; Q241-Q245 WeakPolarHBondContact O-CG 3.39Å; Q241-Q245 PolarHBondContact O-N 3.29Å; Q241-H295 PolarHBondContact NE2-CD2 3.18Å; Q241-H295 PolarHBondContact NE2-NE2 2.83Å
242L90.5Very high86Confident2 Ų239.6 Ų39.61%0.0120%0.196CC..Hα-helixtrans-66.5-45.2178-176.359.6000112.1V158 N159 Y161 L178 E238 T239 S244 Q245 L246 K288 L291V158-L242 HydrophobicContact CG1-CD1 4.05Å; V158-L242 HydrophobicContact CG1-CD2 3.96Å; V158-L242 HydrophobicContact CG1-CG 4.48Å; N159-L242 HydrophobicContact CB-CD2 3.96Å; Y161-L242 HydrophobicContact CE2-CD2 4.02Å; Y161-L242 WeakPolarHBondContact OH-CD2 3.49Å; L178-L242 HydrophobicContact CD1-CB 4.31Å; L178-L242 HydrophobicContact CD1-CD2 4.1Å; L178-L242 HydrophobicContact CD1-CG 4.1Å; E238-L242 WeakPolarHBondContact O-CB 3.49Å; E238-L242 PolarHBondContact O-N 2.77Å; T239-L242 PolarHBondContact O-N 3.31Å; L242-S244 VanDerWaalsContact C-N 3.28Å; L242-S244 PolarHBondContact O-N 2.89Å; L242-Q245 PolarHBondContact O-N 2.96Å; L242-L246 HydrophobicContact CD1-CD1 4.41Å; L242-L246 HydrophobicContact CG-CD1 4.18Å; L242-L246 WeakPolarHBondContact O-CG 3.29Å; L242-L246 PolarHBondContact O-N 3.34Å; L242-K288 HydrophobicContact CD2-CG 4.34Å; L242-L291 HydrophobicContact CD1-CB 4.3Å; L242-L291 HydrophobicContact CD1-CD1 3.74Å
243A92.6Very high85.7Confident2 Ų234.3 Ų34.32%0.01717%0.17CC..Hα-helixtrans-59.9-40.7175.400000111.7L178 W200 L206 T239 F240 L246 A247L178-A243 HydrophobicContact CD1-CB 4.1Å; W200-A243 HydrophobicContact CH2-CB 3.81Å; W200-A243 HydrophobicContact CZ3-CB 4.19Å; L206-A243 HydrophobicContact CD2-CB 4.18Å; T239-A243 WeakPolarHBondContact O-CB 3.43Å; T239-A243 PolarHBondContact O-N 3.46Å; F240-A243 PolarHBondContact O-N 3.34Å; A243-L246 PolarHBondContact O-N 2.96Å; A243-A247 WeakPolarHBondContact O-CB 3.36Å; A243-A247 PolarHBondContact O-N 3.01Å
244S90.7Very high85.4Confident11 Ų1133.5 Ų33.58%0.07717%0.166CC..Hα-helixtrans-62-43.7176.2-71.80000112.6F240 Q241 L242 N248F240-S244 WeakPolarHBondContact O-CB 3.36Å; F240-S244 PolarHBondContact O-N 2.93Å; F240-S244 PolarHBondContact O-OG 3Å; Q241-S244 WeakPolarHBondContact O-CB 3.25Å; Q241-S244 PolarHBondContact O-N 3.16Å; L242-S244 VanDerWaalsContact C-N 3.28Å; L242-S244 PolarHBondContact O-N 2.89Å; S244-N248 WeakPolarHBondContact O-CB 3.44Å; S244-N248 PolarHBondContact O-N 3.41Å
245Q88.3Confident85.2Confident27 Ų2727.3 Ų27.313%0.12613%0.134CC..Hα-helixtrans-64.1-45.4176.2-74173.424.300111.9Q241 L242 N248 I249 L291Q241-Q245 WeakPolarHBondContact O-CG 3.39Å; Q241-Q245 PolarHBondContact O-N 3.29Å; L242-Q245 PolarHBondContact O-N 2.96Å; Q245-N248 PolarHBondContact O-N 2.96Å; Q245-I249 WeakPolarHBondContact O-CB 3.37Å; Q245-I249 VanDerWaalsContact O-CG1 3.27Å; Q245-I249 WeakPolarHBondContact O-CG1 3.4Å; Q245-I249 PolarHBondContact O-N 2.97Å; Q245-L291 PolarHBondContact OE1-O 2.93Å
246L91Very high84.3Confident3 Ų326.8 Ų26.82%0.01613%0.128CC..Hα-helixtrans-64.5-41.6178.9-69.1167.9000111.8V158 L178 W200 L242 A243 I249 A250 L291V158-L246 HydrophobicContact CG2-CD1 4.26Å; V158-L246 HydrophobicContact CG2-CD2 4.08Å; L178-L246 HydrophobicContact CB-CD1 3.85Å; W200-L246 HydrophobicContact CD2-CB 4.1Å; W200-L246 HydrophobicContact CH2-CB 4.29Å; W200-L246 HydrophobicContact CH2-CD1 4.49Å; W200-L246 HydrophobicContact CZ2-CB 3.72Å; W200-L246 HydrophobicContact CZ2-CD1 3.67Å; W200-L246 HydrophobicContact CZ2-CG 4.35Å; L242-L246 HydrophobicContact CD1-CD1 4.41Å; L242-L246 HydrophobicContact CG-CD1 4.18Å; L242-L246 WeakPolarHBondContact O-CG 3.29Å; L242-L246 PolarHBondContact O-N 3.34Å; A243-L246 PolarHBondContact O-N 2.96Å; L246-I249 PolarHBondContact O-N 3.45Å; L246-A250 WeakPolarHBondContact O-CB 3.3Å; L246-A250 PolarHBondContact O-N 3.3Å; L246-L291 HydrophobicContact CD2-CD1 3.89Å; L246-L291 HydrophobicContact CG-CD1 4.47Å
247A90.9Very high82.8Confident0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-60.8-45.3172.700000111.8W200 L206 A243 I249 A250 M251 L792W200-A247 HydrophobicContact CE3-CB 3.96Å; W200-A247 HydrophobicContact CZ3-CB 4.37Å; L206-A247 HydrophobicContact CD2-CB 4.06Å; A243-A247 WeakPolarHBondContact O-CB 3.36Å; A243-A247 PolarHBondContact O-N 3.01Å; A247-I249 PolarHBondContact O-N 2.86Å; A247-A250 PolarHBondContact O-N 3.36Å; A247-M251 WeakPolarHBondContact O-CG 3.45Å; A247-M251 PolarHBondContact O-N 2.78Å; A247-L792 HydrophobicContact CB-CD2 4.38Å
248N85.9Confident81Confident39 Ų3930.4 Ų30.421%0.20915%0.145CC..Hα-helixtrans-62-43.8177.5-165.349.7000112.2S244 Q245 A250 M251 K252 L788 R791S244-N248 WeakPolarHBondContact O-CB 3.44Å; S244-N248 PolarHBondContact O-N 3.41Å; Q245-N248 PolarHBondContact O-N 2.96Å; N248-A250 VanDerWaalsContact C-N 3.35Å; N248-M251 PolarHBondContact O-N 2.9Å; N248-K252 WeakPolarHBondContact O-CG 3.34Å; N248-K252 PolarHBondContact O-N 2.51Å; N248-L788 HydrophobicContact CB-CD1 3.54Å; N248-R791 VanDerWaalsContact OD1-CD 3.32Å; N248-R791 WeakPolarHBondContact OD1-CD 3.47Å; N248-R791 PolarHBondContact OD1-NH1 3.37Å
249I83.5Confident79.2Confident34 Ų3428.3 Ų28.317%0.17414%0.139CC..Hα-helixtrans-57.4-52175.7-74.3165.2000108.9Q245 L246 A247 M251 K252 Q253 F260 L291Q245-I249 WeakPolarHBondContact O-CB 3.37Å; Q245-I249 VanDerWaalsContact O-CG1 3.27Å; Q245-I249 WeakPolarHBondContact O-CG1 3.4Å; Q245-I249 PolarHBondContact O-N 2.97Å; L246-I249 PolarHBondContact O-N 3.45Å; A247-I249 PolarHBondContact O-N 2.86Å; I249-M251 VanDerWaalsContact C-N 3.3Å; I249-M251 PolarHBondContact O-N 3.31Å; I249-K252 WeakPolarHBondContact O-CA 3.18Å; I249-K252 WeakPolarHBondContact O-CB 3.45Å; I249-K252 PolarHBondContact O-N 3.45Å; I249-Q253 HydrophobicContact CG2-CG 4.4Å; I249-Q253 WeakPolarHBondContact O-CG 3.46Å; I249-Q253 PolarHBondContact O-N 3.27Å; I249-F260 HydrophobicContact CD1-CD2 4.07Å; I249-F260 HydrophobicContact CG2-CB 3.82Å; I249-L291 HydrophobicContact CD1-CD2 3.54Å
250A84.5Confident77.6Confident2 Ų228.9 Ų28.92%0.01714%0.142CC..Hα-helixtrans-56.7-41.6178.700000112.8W200 L246 A247 N248 K252 Q253 L254W200-A250 HydrophobicContact CB-CB 3.33Å; W200-A250 HydrophobicContact CG-CB 4.33Å; L246-A250 WeakPolarHBondContact O-CB 3.3Å; L246-A250 PolarHBondContact O-N 3.3Å; A247-A250 PolarHBondContact O-N 3.36Å; N248-A250 VanDerWaalsContact C-N 3.35Å; A250-K252 VanDerWaalsContact C-N 3.35Å; A250-K252 PolarHBondContact O-N 3.25Å; A250-Q253 PolarHBondContact O-N 3.08Å; A250-L254 PolarHBondContact O-N 3.26Å
251M85.6Confident75.9Confident0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-63.8-38.7174.7-66.2-52.7108.500112.2W200 A247 N248 I249 L254 I255 R791 L792 V795W200-M251 VanDerWaalsContact O-CE 3.3Å; W200-M251 WeakPolarHBondContact O-CE 3.34Å; A247-M251 WeakPolarHBondContact O-CG 3.45Å; A247-M251 PolarHBondContact O-N 2.78Å; N248-M251 PolarHBondContact O-N 2.9Å; I249-M251 VanDerWaalsContact C-N 3.3Å; I249-M251 PolarHBondContact O-N 3.31Å; M251-L254 HydrophobicContact CE-CD1 4.19Å; M251-L254 WeakPolarHBondContact O-CB 3.45Å; M251-L254 PolarHBondContact O-N 2.82Å; M251-L254 HydrophobicContact SD-CD1 4.23Å; M251-I255 WeakPolarHBondContact O-CG1 3.43Å; M251-I255 PolarHBondContact O-N 3.37Å; M251-R791 HydrophobicContact CB-CG 4.29Å; M251-L792 HydrophobicContact CE-CD2 3.9Å; M251-L792 HydrophobicContact CG-CD2 3.96Å; M251-L792 HydrophobicContact CG-CG 4.18Å; M251-L792 HydrophobicContact SD-CD2 3.96Å; M251-L792 HydrophobicContact SD-CG 4.49Å; M251-V795 HydrophobicContact CB-CG1 4.48Å; M251-V795 HydrophobicContact CB-CG2 4.31Å; M251-V795 HydrophobicContact SD-CB 4.13Å; M251-V795 HydrophobicContact SD-CG1 4.1Å
252K78.3Confident74.4Confident69 Ų6931.8 Ų31.830%0.316%0.164SC..Hα-helixtrans-65.4-37.5174.2-71.1-170.1172.5-147.20112.6N248 I249 A250 L254 I255 E256N248-K252 WeakPolarHBondContact O-CG 3.34Å; N248-K252 PolarHBondContact O-N 2.51Å; I249-K252 WeakPolarHBondContact O-CA 3.18Å; I249-K252 WeakPolarHBondContact O-CB 3.45Å; I249-K252 PolarHBondContact O-N 3.45Å; A250-K252 VanDerWaalsContact C-N 3.35Å; A250-K252 PolarHBondContact O-N 3.25Å; K252-L254 PolarHBondContact O-N 3.34Å; K252-I255 PolarHBondContact O-N 3.23Å; K252-E256 PolarHBondContact O-N 2.95Å
253Q77.1Confident73Confident15 Ų1532.7 Ų32.77%0.0717%0.169CC..Hα-helixtrans-60.8-32.3175.3-42.5-174.4-83.200111.9I249 A250 I255 E257I249-Q253 HydrophobicContact CG2-CG 4.4Å; I249-Q253 WeakPolarHBondContact O-CG 3.46Å; I249-Q253 PolarHBondContact O-N 3.27Å; A250-Q253 PolarHBondContact O-N 3.08Å; Q253-I255 VanDerWaalsContact C-N 3.35Å; Q253-E257 WeakPolarHBondContact O-CA 3.48Å; Q253-E257 PolarHBondContact O-N 3.15Å
254L75.7Confident71.5Confident3 Ų336.2 Ų36.22%0.01619%0.194CC..Hα-helixtrans-72.6-26175.2-65.6174.8000113T201 A250 M251 K252 V795 E799 K829 L833 Y865T201-L254 HydrophobicContact CG2-CD1 4.22Å; T201-L254 HydrophobicContact CG2-CD2 4.16Å; T201-L254 HydrophobicContact CG2-CG 4.27Å; A250-L254 PolarHBondContact O-N 3.26Å; M251-L254 HydrophobicContact CE-CD1 4.19Å; M251-L254 WeakPolarHBondContact O-CB 3.45Å; M251-L254 PolarHBondContact O-N 2.82Å; M251-L254 HydrophobicContact SD-CD1 4.23Å; K252-L254 PolarHBondContact O-N 3.34Å; L254-V795 HydrophobicContact CB-CG1 3.77Å; L254-V795 HydrophobicContact CD1-CG1 3.95Å; L254-E799 HydrophobicContact CB-CG 4.37Å; L254-E799 HydrophobicContact CD1-CG 4.41Å; L254-K829 VanDerWaalsContact CD2-CE 3.46Å; L254-L833 HydrophobicContact CD2-CD1 3.77Å; L254-L833 HydrophobicContact CD2-CD2 4.45Å; L254-Y865 WeakPolarHBondContact CD2-OH 3.42Å
255I70.2Confident70.1Confident24 Ų2438 Ų3812%0.12321%0.21CC..Hα-helixtrans-88-53.6-179-59.8162.8000111.4M251 K252 Q253 V614 V795M251-I255 WeakPolarHBondContact O-CG1 3.43Å; M251-I255 PolarHBondContact O-N 3.37Å; K252-I255 PolarHBondContact O-N 3.23Å; Q253-I255 VanDerWaalsContact C-N 3.35Å; I255-V614 HydrophobicContact CD1-CB 4.17Å; I255-V614 HydrophobicContact CD1-CG1 3.59Å; I255-V614 HydrophobicContact CD1-CG2 4.11Å; I255-V614 HydrophobicContact CG1-CG1 4.35Å; I255-V614 HydrophobicContact CG1-CG2 4.17Å; I255-V614 HydrophobicContact CG2-CG2 3.88Å; I255-V795 HydrophobicContact CD1-CG2 3.56Å; I255-V795 HydrophobicContact CG1-CG1 4.15Å; I255-V795 HydrophobicContact CG1-CG2 3.77Å
256E59Low69.1Low79 Ų7938.3 Ų38.337%0.36921%0.212SC..Hα-helixtrans-99.4-3.4-165.5-62.9178.915400112.9K252 E258K252-E256 PolarHBondContact O-N 2.95Å; E256-E258 PolarHBondContact O-N 3.34Å
257E53.6Low67.8Low98 Ų9843 Ų4346%0.45823%0.229SC..SBendtrans57.7-4.7-172.6-57.9-178174.200114.7Q253 W836Q253-E257 WeakPolarHBondContact O-CA 3.48Å; Q253-E257 PolarHBondContact O-N 3.15Å; E257-W836 PolarHBondContact O-NE1 3.49Å; E257-W836 VanDerWaalsContact O-NE1 3.09Å
258E48.9Very low66.5Low87 Ų8750.3 Ų50.341%0.40726%0.257SS..  trans-89117172.9-67.8-173.2-175.900110.8E256 W836 R854E256-E258 PolarHBondContact O-N 3.34Å; E258-W836 VanDerWaalsContact CA-CZ2 3.47Å; E258-W836 HydrophobicContact CB-CH2 4.45Å; E258-W836 HydrophobicContact CB-CZ2 4.05Å; E258-W836 HydrophobicContact CG-CZ2 4.27Å; E258-R854 IonicContact OE1-CZ 3.81Å; E258-R854 IonicContact OE1-NH2 3.49Å; E258-R854 PolarHBondContact OE1-NH2 2.99Å
259G48.7Very low65.5Low14 Ų1452 Ų5214%0.14426%0.262CS..  trans-80.8179.4175.600000115.8C261 W836G259-C261 PolarHBondContact O-N 3.31Å; G259-W836 VanDerWaalsContact CA-CH2 3.45Å; G259-W836 WeakPolarHBondContact O-CH2 3.25Å; G259-W836 WeakPolarHBondContact O-CZ3 3.25Å
260F54.9Low64.4Low13 Ų1352.8 Ų52.86%0.05727%0.266CS..  trans-63.1124.7175.2169.2-87.4000111.9V180 I249 E262 L287 L291 R837V180-F260 HydrophobicContact CG1-CB 4.32Å; V180-F260 HydrophobicContact CG1-CD1 4.48Å; I249-F260 HydrophobicContact CD1-CD2 4.07Å; I249-F260 HydrophobicContact CG2-CB 3.82Å; F260-E262 HydrophobicContact CD1-CG 4.43Å; F260-E262 HydrophobicContact CE1-CB 4.46Å; F260-E262 HydrophobicContact CE1-CG 3.51Å; F260-E262 HydrophobicContact CZ-CG 4.12Å; F260-L287 HydrophobicContact CD1-CD1 4.5Å; F260-L287 HydrophobicContact CE1-CD1 3.36Å; F260-L287 HydrophobicContact CE2-CD1 4.37Å; F260-L287 HydrophobicContact CZ-CD1 3.29Å; F260-L291 HydrophobicContact CD2-CD2 4.29Å; F260-L291 HydrophobicContact CE2-CD2 3.74Å; F260-L291 HydrophobicContact CE2-CG 4.43Å; F260-R837 VanDerWaalsContact CB-NH2 3.35Å; F260-R837 PolarHBondContact O-NE 2.75Å; F260-R837 PolarHBondContact O-NH2 2.9Å; F260-R837 VanDerWaalsContact O-NH2 3.1Å
261C55Low63.3Low89 Ų8957.4 Ų57.460%0.60129%0.29SS*.  trans-114.7126175.3-177.70000110.3G259 R294G259-C261 PolarHBondContact O-N 3.31Å; C261-R294 PolarHBondContact O-NH1 3.34Å; C261-R294 PolarHBondContact O-NH2 3.13Å
262E57.3Low62Low56 Ų5663.5 Ų63.526%0.26232%0.32SS..  trans-68.9143.9-176.7-72175.5-175.700113.2K156 F260 S264K156-E262 VanDerWaalsContact CD-OE1 3.25Å; K156-E262 WeakPolarHBondContact CD-OE1 3.35Å; K156-E262 WeakPolarHBondContact CE-OE1 3.38Å; K156-E262 VanDerWaalsContact NZ-CD 3.32Å; K156-E262 IonicContact NZ-OE1 2.72Å; K156-E262 PolarHBondContact NZ-OE1 3.28Å; K156-E262 IonicContact NZ-OE2 3.67Å; K156-E262 PolarHBondContact NZ-OE2 3.45Å; F260-E262 HydrophobicContact CD1-CG 4.43Å; F260-E262 HydrophobicContact CE1-CB 4.46Å; F260-E262 HydrophobicContact CE1-CG 3.51Å; F260-E262 HydrophobicContact CZ-CG 4.12Å; E262-S264 PolarHBondContact O-N 3.02Å; E262-S264 VanDerWaalsContact O-N 3.1Å
263D60.8Low60.8Low22 Ų2264.1 Ų64.112%0.11832%0.324CS..  trans-79.296.9175.9-168.5-26.9000111.4A265 L266 R267 D290 K311D263-A265 PolarHBondContact O-N 2.87Å; D263-A265 WeakPolarHBondContact OD1-CA 3.37Å; D263-A265 WeakPolarHBondContact OD1-CB 3.38Å; D263-A265 PolarHBondContact OD1-N 2.67Å; D263-L266 HydrophobicContact CB-CB 3.94Å; D263-L266 PolarHBondContact O-N 3.44Å; D263-L266 PolarHBondContact OD1-N 2.99Å; D263-R267 PolarHBondContact O-N 3.4Å; D263-D290 WeakPolarHBondContact CB-OD1 2.8Å; D263-D290 PolarHBondContact N-OD2 3.29Å; D263-K311 IonicContact OD1-NZ 2.73Å; D263-K311 IonicContact OD2-NZ 3.1Å; D263-K311 PolarHBondContact OD2-NZ 3.17Å
264S62.4Low59.5Low75 Ų7566.6 Ų66.652%0.52434%0.343SS..Hα-helixtrans-63.2-23.8178.470.40000114.1E262 R268E262-S264 PolarHBondContact O-N 3.02Å; E262-S264 VanDerWaalsContact O-N 3.1Å; S264-R268 WeakPolarHBondContact O-CG 3.37Å; S264-R268 PolarHBondContact O-N 3.29Å; S264-R268 PolarHBondContact O-NE 3.39Å
265A60.6Low58.2Low50 Ų5073.1 Ų73.141%0.41337%0.373SS..Hα-helixtrans-78.9-42177.700000111D263 R267 R268 K269D263-A265 PolarHBondContact O-N 2.87Å; D263-A265 WeakPolarHBondContact OD1-CA 3.37Å; D263-A265 WeakPolarHBondContact OD1-CB 3.38Å; D263-A265 PolarHBondContact OD1-N 2.67Å; A265-R267 VanDerWaalsContact C-N 3.32Å; A265-R268 PolarHBondContact O-N 3.45Å; A265-K269 WeakPolarHBondContact O-CB 2.97Å; A265-K269 PolarHBondContact O-N 3.37Å
266L66.2Low56.9Low32 Ų3280 Ų8017%0.16840%0.404CS..Hα-helixtrans-62.5-41172.2-173.965.4000111.2D263 K269 M270 F286 D290 A293D263-L266 HydrophobicContact CB-CB 3.94Å; D263-L266 PolarHBondContact O-N 3.44Å; D263-L266 PolarHBondContact OD1-N 2.99Å; L266-K269 PolarHBondContact O-N 2.94Å; L266-M270 HydrophobicContact CD1-CE 4.33Å; L266-M270 WeakPolarHBondContact O-CG 3.24Å; L266-M270 PolarHBondContact O-N 3.32Å; L266-F286 HydrophobicContact CG-CE2 4.31Å; L266-D290 HydrophobicContact CD2-CB 3.99Å; L266-A293 HydrophobicContact CD2-CB 4.02Å
267R64.8Low56.3Low103 Ų10383.1 Ų83.139%0.38941%0.413SS..Hα-helixtrans-57.4-50.8175.4-162.9175.2-177.3-137.72.1111.8E132 D263 A265 K269 M270 L271 F286E132-R267 IonicContact OE1-CZ 3.72Å; E132-R267 IonicContact OE1-NE 2.73Å; E132-R267 IonicContact OE1-NH2 2.7Å; E132-R267 PolarHBondContact OE1-NH2 2.91Å; D263-R267 PolarHBondContact O-N 3.4Å; A265-R267 VanDerWaalsContact C-N 3.32Å; R267-K269 PolarHBondContact O-N 3.34Å; R267-M270 PolarHBondContact O-N 3.08Å; R267-L271 HydrophobicContact CG-CD1 4.39Å; R267-L271 WeakPolarHBondContact O-CG 3.09Å; R267-L271 PolarHBondContact O-N 2.7Å; R267-F286 VanDerWaalsContact CA-CE2 3.4Å; R267-F286 HydrophobicContact CB-CE1 4.13Å; R267-F286 HydrophobicContact CB-CE2 3.8Å; R267-F286 HydrophobicContact CB-CZ 3.45Å; R267-F286 VanDerWaalsContact CB-CZ 3.45Å; R267-F286 HydrophobicContact CG-CE1 4.15Å; R267-F286 HydrophobicContact CG-CE2 4.06Å; R267-F286 HydrophobicContact CG-CZ 3.86Å
268R64.1Low55.7Low152 Ų15289.4 Ų89.457%0.57443%0.432SS*.Hα-helixtrans-59.7-43.7176.9-78.6-179.4-72.6150.8-7.5112.6S264 A265 M270 L271 M272S264-R268 WeakPolarHBondContact O-CG 3.37Å; S264-R268 PolarHBondContact O-N 3.29Å; S264-R268 PolarHBondContact O-NE 3.39Å; A265-R268 PolarHBondContact O-N 3.45Å; R268-M270 VanDerWaalsContact C-N 3.34Å; R268-M270 PolarHBondContact O-N 3.16Å; R268-L271 PolarHBondContact O-N 2.94Å; R268-M272 WeakPolarHBondContact O-CG 3.5Å; R268-M272 PolarHBondContact O-N 3.21Å
269K63.3Low55.1Low75 Ų7591.6 Ų91.633%0.32645%0.452SS..Hα-helixtrans-61.1-42.6178.2-172.4177.1175.3-174.70111.6A265 L266 R267 M272 E273 D313A265-K269 WeakPolarHBondContact O-CB 2.97Å; A265-K269 PolarHBondContact O-N 3.37Å; L266-K269 PolarHBondContact O-N 2.94Å; R267-K269 PolarHBondContact O-N 3.34Å; K269-M272 PolarHBondContact O-N 2.93Å; K269-E273 WeakPolarHBondContact O-CG 3.44Å; K269-E273 PolarHBondContact O-N 3.18Å; K269-D313 IonicContact NZ-OD2 2.83Å; K269-D313 PolarHBondContact NZ-OD2 2.92Å
270M61.2Low54.6Low50 Ų5095.4 Ų95.425%0.24647%0.472CS..Hα-helixtrans-68.5-39.4177.6-73.5-163.9165.800113.1L266 R267 R268 M272 E273 S274 F286 R289L266-M270 HydrophobicContact CD1-CE 4.33Å; L266-M270 WeakPolarHBondContact O-CG 3.24Å; L266-M270 PolarHBondContact O-N 3.32Å; R267-M270 PolarHBondContact O-N 3.08Å; R268-M270 VanDerWaalsContact C-N 3.34Å; R268-M270 PolarHBondContact O-N 3.16Å; M270-M272 VanDerWaalsContact C-N 3.35Å; M270-M272 PolarHBondContact O-N 3.38Å; M270-E273 PolarHBondContact O-N 3.31Å; M270-S274 WeakPolarHBondContact O-CB 3.49Å; M270-S274 PolarHBondContact O-N 2.94Å; M270-F286 HydrophobicContact SD-CD2 3.8Å; M270-F286 HydrophobicContact SD-CE2 4.06Å; M270-R289 HydrophobicContact CE-CB 3.82Å; M270-R289 HydrophobicContact CE-CG 4.31Å; M270-R289 HydrophobicContact SD-CB 4.4Å
271L62.3Low54.1Low99 Ų99103.4 Ų103.452%0.51851%0.507SS..Hα-helixtrans-59.3-46.6174.2-71.4168.2000110.8R267 R268 E273 S274 E275R267-L271 HydrophobicContact CG-CD1 4.39Å; R267-L271 WeakPolarHBondContact O-CG 3.09Å; R267-L271 PolarHBondContact O-N 2.7Å; R268-L271 PolarHBondContact O-N 2.94Å; L271-E273 PolarHBondContact O-N 2.82Å; L271-S274 PolarHBondContact O-N 2.9Å; L271-S274 PolarHBondContact O-OG 3.22Å; L271-E275 PolarHBondContact O-N 3.12Å
272M57.3Low53.6Low129 Ų129102.2 Ų102.264%0.63550%0.497SS*.Hα-helixtrans-64.2-37.8176.1-71.2-179.7171.600113.5R268 K269 M270 S274 H276R268-M272 WeakPolarHBondContact O-CG 3.5Å; R268-M272 PolarHBondContact O-N 3.21Å; K269-M272 PolarHBondContact O-N 2.93Å; M270-M272 VanDerWaalsContact C-N 3.35Å; M270-M272 PolarHBondContact O-N 3.38Å; M272-S274 VanDerWaalsContact C-N 3.35Å; M272-H276 PolarHBondContact O-ND1 2.87Å; M272-H276 VanDerWaalsContact O-ND1 3.08Å
273E53.5Low53.3Low82 Ų82109.8 Ų109.838%0.38353%0.529SS..Hα-helixtrans-70.1-30.3175.8-77.2-171-15200112.7K269 M270 L271 H276 R277K269-E273 WeakPolarHBondContact O-CG 3.44Å; K269-E273 PolarHBondContact O-N 3.18Å; M270-E273 PolarHBondContact O-N 3.31Å; L271-E273 PolarHBondContact O-N 2.82Å; E273-H276 PolarHBondContact O-N 3.01Å; E273-R277 PolarHBondContact O-N 2.67Å; E273-R277 VanDerWaalsContact O-N 3.1Å; E273-R277 IonicContact OE2-CZ 2.83Å; E273-R277 IonicContact OE2-NH2 2.74Å; E273-R277 PolarHBondContact OE2-NH2 3.42Å
274S50.3Low53.3Low66 Ų66110.1 Ų110.146%0.46253%0.534SS..Hα-helixtrans-70.8-34.3177.675.20000112.6M270 L271 M272 H276 R277M270-S274 WeakPolarHBondContact O-CB 3.49Å; M270-S274 PolarHBondContact O-N 2.94Å; L271-S274 PolarHBondContact O-N 2.9Å; L271-S274 PolarHBondContact O-OG 3.22Å; M272-S274 VanDerWaalsContact C-N 3.35Å; S274-H276 PolarHBondContact O-N 3.44Å; S274-R277 CarbonylContact O-C 3.48Å; S274-R277 PolarHBondContact O-N 2.73Å
275E48.2Very low53.7Low140 Ų140107.8 Ų107.865%0.65452%0.518SS*.Hα-helixtrans-62.3-32172.6-71-173.6149.600112.2L271L271-E275 PolarHBondContact O-N 3.12Å
276H42.7Very low54.4Low168 Ų168107.3 Ų107.378%0.77851%0.507SS*.Hα-helixtrans-86-19.2177.8-74.177.9000113.8M272 E273 S274M272-H276 PolarHBondContact O-ND1 2.87Å; M272-H276 VanDerWaalsContact O-ND1 3.08Å; E273-H276 PolarHBondContact O-N 3.01Å; S274-H276 PolarHBondContact O-N 3.44Å
277R45.3Very low54.8Low145 Ų145106.3 Ų106.355%0.54750%0.502SS..  trans-117.667.5179.1-68.1-171.9-129.8-140.76.5111.6E273 S274 T279E273-R277 PolarHBondContact O-N 2.67Å; E273-R277 VanDerWaalsContact O-N 3.1Å; E273-R277 IonicContact OE2-CZ 2.83Å; E273-R277 IonicContact OE2-NH2 2.74Å; E273-R277 PolarHBondContact OE2-NH2 3.42Å; S274-R277 CarbonylContact O-C 3.48Å; S274-R277 PolarHBondContact O-N 2.73Å; R277-T279 PolarHBondContact O-N 3.29Å
278R41.1Very low55.7Low230 Ų230101.8 Ų101.887%0.86849%0.485SS*.THydrogen-bonded Turntrans-65.112.2172.7-72.1-176.6173.9165.3-1.4115.3
279T37.8Very low56.6Low133 Ų13397.7 Ų97.782%0.81647%0.469SS*.THydrogen-bonded Turntrans-135.8-0.9-168.332.50000116.6R277R277-T279 PolarHBondContact O-N 3.29Å
280V38.2Very low57.4Low94 Ų9494.1 Ų94.157%0.5745%0.454SS*.  trans-11898.6179.9-174.10000110.9T282V280-T282 PolarHBondContact O-N 3.04Å
281K42.8Very low58.6Low182 Ų18291.9 Ų91.979%0.79144%0.443SS*.  trans-60.1115.8169.6-67.1-179.9179.2179.60108.8
282T46.3Very low59.7Low63 Ų6389.4 Ų89.439%0.38743%0.43SS..  trans-98.5129.7176.60.60000110D134 V280 A284 R289D134-T282 PolarHBondContact OD2-N 3.25Å; V280-T282 PolarHBondContact O-N 3.04Å; T282-A284 VanDerWaalsContact C-N 3.34Å; T282-A284 PolarHBondContact O-N 3.42Å; T282-R289 PolarHBondContact OG1-NH2 2.9Å
283K50.7Low61.1Low215 Ų21584.2 Ų84.294%0.93541%0.408SS*.  trans-75.1-13.6-173.9-66-177177.9-178.20115.4
284A59.9Low62.6Low29 Ų2984.1 Ų84.124%0.2440%0.404CS..SBendtrans-108.2141-172.300000112.8T282 K288 R289T282-A284 VanDerWaalsContact C-N 3.34Å; T282-A284 PolarHBondContact O-N 3.42Å; A284-K288 HydrophobicContact CB-CD 3.83Å; A284-R289 HydrophobicContact CB-CG 4.46Å; A284-R289 PolarHBondContact O-NE 3.04Å; A284-R289 VanDerWaalsContact O-NE 3.17Å; A284-R289 PolarHBondContact O-NH2 2.78Å
285S71.5Confident64.3Low27 Ų2784.4 Ų84.419%0.18940%0.398CS..  trans-60.9158.6175.576.40000112.4V158 L287 K288 R289V158-S285 WeakPolarHBondContact O-CB 3.37Å; V158-S285 PolarHBondContact O-OG 2.97Å; S285-L287 VanDerWaalsContact C-N 3.31Å; S285-L287 PolarHBondContact O-N 2.94Å; S285-K288 PolarHBondContact O-N 3.19Å; S285-K288 WeakPolarHBondContact OG-CB 3.35Å; S285-K288 PolarHBondContact OG-N 3.34Å; S285-K288 VanDerWaalsContact OG-N 3.09Å; S285-R289 WeakPolarHBondContact O-CG 3.37Å; S285-R289 PolarHBondContact O-N 3Å
286F74.4Confident66.2Low40 Ų4083.2 Ų83.218%0.17539%0.387CS..Hα-helixtrans-56.7-47173.3170.1-103.3000111.6L266 R267 M270 K288 R289 D290L266-F286 HydrophobicContact CG-CE2 4.31Å; R267-F286 VanDerWaalsContact CA-CE2 3.4Å; R267-F286 HydrophobicContact CB-CE1 4.13Å; R267-F286 HydrophobicContact CB-CE2 3.8Å; R267-F286 HydrophobicContact CB-CZ 3.45Å; R267-F286 VanDerWaalsContact CB-CZ 3.45Å; R267-F286 HydrophobicContact CG-CE1 4.15Å; R267-F286 HydrophobicContact CG-CE2 4.06Å; R267-F286 HydrophobicContact CG-CZ 3.86Å; M270-F286 HydrophobicContact SD-CD2 3.8Å; M270-F286 HydrophobicContact SD-CE2 4.06Å; F286-K288 VanDerWaalsContact C-N 3.31Å; F286-K288 PolarHBondContact O-N 3.44Å; F286-R289 WeakPolarHBondContact O-CA 3.45Å; F286-R289 WeakPolarHBondContact O-CB 3.37Å; F286-R289 PolarHBondContact O-N 3.23Å; F286-D290 HydrophobicContact CZ-CB 4.44Å; F286-D290 PolarHBondContact O-N 3.18Å
287L75.6Confident68.6Low10 Ų1075.7 Ų75.75%0.05235%0.354CS..Hα-helixtrans-61.2-39.4-176.2-174.757.7000112.3K156 V158 V180 F260 S285 R289 D290 L291K156-L287 HydrophobicContact CB-CD2 3.96Å; V158-L287 HydrophobicContact CB-CD2 4.21Å; V158-L287 HydrophobicContact CB-CG 4.43Å; V158-L287 HydrophobicContact CG1-CG 4.25Å; V158-L287 HydrophobicContact CG2-CD2 3.45Å; V158-L287 VanDerWaalsContact CG2-CD2 3.45Å; V158-L287 HydrophobicContact CG2-CG 3.92Å; V180-L287 HydrophobicContact CG2-CD2 3.68Å; F260-L287 HydrophobicContact CD1-CD1 4.5Å; F260-L287 HydrophobicContact CE1-CD1 3.36Å; F260-L287 HydrophobicContact CE2-CD1 4.37Å; F260-L287 HydrophobicContact CZ-CD1 3.29Å; S285-L287 VanDerWaalsContact C-N 3.31Å; S285-L287 PolarHBondContact O-N 2.94Å; L287-R289 VanDerWaalsContact C-N 3.34Å; L287-R289 PolarHBondContact O-N 2.8Å; L287-D290 PolarHBondContact O-N 3.39Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 3.06Å
288K83.4Confident70.6Confident8 Ų872 Ų724%0.03535%0.345CS..Hα-helixtrans-61.1-44172.8-170.7-162.2-178.5-58.50111.4V158 N159 E238 L242 A284 S285 F286 D290 L291 D292V158-K288 HydrophobicContact CG1-CB 4.06Å; N159-K288 HydrophobicContact CB-CD 4.35Å; E238-K288 WeakPolarHBondContact OE1-CE 3.42Å; E238-K288 IonicContact OE1-NZ 2.53Å; E238-K288 PolarHBondContact OE1-NZ 2.9Å; L242-K288 HydrophobicContact CD2-CG 4.34Å; A284-K288 HydrophobicContact CB-CD 3.83Å; S285-K288 PolarHBondContact O-N 3.19Å; S285-K288 WeakPolarHBondContact OG-CB 3.35Å; S285-K288 PolarHBondContact OG-N 3.34Å; S285-K288 VanDerWaalsContact OG-N 3.09Å; F286-K288 VanDerWaalsContact C-N 3.31Å; F286-K288 PolarHBondContact O-N 3.44Å; K288-D290 VanDerWaalsContact C-N 3.33Å; K288-D290 PolarHBondContact O-N 2.78Å; K288-L291 PolarHBondContact O-N 2.66Å; K288-D292 IonicContact NZ-OD1 3.35Å; K288-D292 PolarHBondContact NZ-OD1 3.26Å; K288-D292 IonicContact NZ-OD2 3.66Å; K288-D292 PolarHBondContact NZ-OD2 2.91Å; K288-D292 WeakPolarHBondContact O-CB 3.48Å; K288-D292 PolarHBondContact O-N 3.19Å
289R82.1Confident72.8Confident66 Ų6663.6 Ų63.625%0.24933%0.325CS..Hα-helixtrans-67-34.4179.5-60.6177.8-151.7172.713.1112.4M270 T282 A284 S285 F286 L287 A293M270-R289 HydrophobicContact CE-CB 3.82Å; M270-R289 HydrophobicContact CE-CG 4.31Å; M270-R289 HydrophobicContact SD-CB 4.4Å; T282-R289 PolarHBondContact OG1-NH2 2.9Å; A284-R289 HydrophobicContact CB-CG 4.46Å; A284-R289 PolarHBondContact O-NE 3.04Å; A284-R289 VanDerWaalsContact O-NE 3.17Å; A284-R289 PolarHBondContact O-NH2 2.78Å; S285-R289 WeakPolarHBondContact O-CG 3.37Å; S285-R289 PolarHBondContact O-N 3Å; F286-R289 WeakPolarHBondContact O-CA 3.45Å; F286-R289 WeakPolarHBondContact O-CB 3.37Å; F286-R289 PolarHBondContact O-N 3.23Å; L287-R289 VanDerWaalsContact C-N 3.34Å; L287-R289 PolarHBondContact O-N 2.8Å; R289-A293 VanDerWaalsContact O-CB 3.25Å; R289-A293 WeakPolarHBondContact O-CB 3.38Å; R289-A293 PolarHBondContact O-N 3.06Å
290D81.5Confident75.5Confident1 Ų157.4 Ų57.41%0.00529%0.286CS..Hα-helixtrans-62-49.7172.5-175.424000110.8D263 L266 F286 L287 K288 D292 A293 R294D263-D290 WeakPolarHBondContact CB-OD1 2.8Å; D263-D290 PolarHBondContact N-OD2 3.29Å; L266-D290 HydrophobicContact CD2-CB 3.99Å; F286-D290 HydrophobicContact CZ-CB 4.44Å; F286-D290 PolarHBondContact O-N 3.18Å; L287-D290 PolarHBondContact O-N 3.39Å; K288-D290 VanDerWaalsContact C-N 3.33Å; K288-D290 PolarHBondContact O-N 2.78Å; D290-D292 PolarHBondContact O-N 3.34Å; D290-A293 PolarHBondContact O-N 3.34Å; D290-A293 VanDerWaalsContact O-N 3.14Å; D290-R294 WeakPolarHBondContact O-CG 3.45Å; D290-R294 PolarHBondContact O-N 3.02Å; D290-R294 IonicContact OD1-CZ 3.77Å; D290-R294 IonicContact OD1-NE 2.86Å; D290-R294 PolarHBondContact OD1-NE 3.01Å; D290-R294 IonicContact OD1-NH2 2.73Å; D290-R294 IonicContact OD2-CZ 3.68Å; D290-R294 IonicContact OD2-NE 2.79Å; D290-R294 PolarHBondContact OD2-NE 3.1Å; D290-R294 IonicContact OD2-NH2 3.39Å; D290-R294 PolarHBondContact OD2-NH2 3.32Å
291L85.5Confident78Confident3 Ų355.2 Ų55.22%0.01627%0.268CS..Hα-helixtrans-60.8-44.6176.6-70.5171.7000112.6V158 L242 Q245 L246 I249 F260 L287 K288 A293 R294 H295V158-L291 HydrophobicContact CG1-CD1 3.77Å; V158-L291 HydrophobicContact CG2-CD1 4.35Å; L242-L291 HydrophobicContact CD1-CB 4.3Å; L242-L291 HydrophobicContact CD1-CD1 3.74Å; Q245-L291 PolarHBondContact OE1-O 2.93Å; L246-L291 HydrophobicContact CD2-CD1 3.89Å; L246-L291 HydrophobicContact CG-CD1 4.47Å; I249-L291 HydrophobicContact CD1-CD2 3.54Å; F260-L291 HydrophobicContact CD2-CD2 4.29Å; F260-L291 HydrophobicContact CE2-CD2 3.74Å; F260-L291 HydrophobicContact CE2-CG 4.43Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 3.06Å; K288-L291 PolarHBondContact O-N 2.66Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-A293 PolarHBondContact O-N 2.8Å; L291-R294 PolarHBondContact O-N 3.28Å; L291-H295 PolarHBondContact O-N 2.99Å
292D86.3Confident80.2Confident46 Ų4650.8 Ų50.825%0.24626%0.259CS..Hα-helixtrans-60.3-39.4174.5-66.9-22.6000111.4K288 D290 R296K288-D292 IonicContact NZ-OD1 3.35Å; K288-D292 PolarHBondContact NZ-OD1 3.26Å; K288-D292 IonicContact NZ-OD2 3.66Å; K288-D292 PolarHBondContact NZ-OD2 2.91Å; K288-D292 WeakPolarHBondContact O-CB 3.48Å; K288-D292 PolarHBondContact O-N 3.19Å; D290-D292 PolarHBondContact O-N 3.34Å; D292-R296 WeakPolarHBondContact O-CG 3.48Å; D292-R296 PolarHBondContact O-N 3.02Å; D292-R296 VanDerWaalsContact O-N 3.13Å
293A86.3Confident82.2Confident20 Ų2052.6 Ų52.617%0.16526%0.263CS..Hα-helixtrans-69.7-38.8178.500000112.8L266 R289 D290 L291 R296 S297L266-A293 HydrophobicContact CD2-CB 4.02Å; R289-A293 VanDerWaalsContact O-CB 3.25Å; R289-A293 WeakPolarHBondContact O-CB 3.38Å; R289-A293 PolarHBondContact O-N 3.06Å; D290-A293 PolarHBondContact O-N 3.34Å; D290-A293 VanDerWaalsContact O-N 3.14Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-A293 PolarHBondContact O-N 2.8Å; A293-R296 PolarHBondContact O-N 3.33Å; A293-S297 WeakPolarHBondContact O-CB 3.37Å; A293-S297 PolarHBondContact O-N 3.47Å; A293-S297 PolarHBondContact O-OG 2.88Å
294R84.9Confident84.2Confident81 Ų8142.5 Ų42.531%0.30622%0.219SC..Hα-helixtrans-61.9-52.2173.7-72170.2-170.6-118.83.8110.8C261 D290 L291 R296 S297 D298C261-R294 PolarHBondContact O-NH1 3.34Å; C261-R294 PolarHBondContact O-NH2 3.13Å; D290-R294 WeakPolarHBondContact O-CG 3.45Å; D290-R294 PolarHBondContact O-N 3.02Å; D290-R294 IonicContact OD1-CZ 3.77Å; D290-R294 IonicContact OD1-NE 2.86Å; D290-R294 PolarHBondContact OD1-NE 3.01Å; D290-R294 IonicContact OD1-NH2 2.73Å; D290-R294 IonicContact OD2-CZ 3.68Å; D290-R294 IonicContact OD2-NE 2.79Å; D290-R294 PolarHBondContact OD2-NE 3.1Å; D290-R294 IonicContact OD2-NH2 3.39Å; D290-R294 PolarHBondContact OD2-NH2 3.32Å; L291-R294 PolarHBondContact O-N 3.28Å; R294-R296 VanDerWaalsContact C-N 3.28Å; R294-R296 PolarHBondContact O-N 3.05Å; R294-S297 CarbonylContact O-C 3.52Å; R294-S297 WeakPolarHBondContact O-CA 3.25Å; R294-S297 WeakPolarHBondContact O-CB 3.49Å; R294-S297 PolarHBondContact O-N 3.35Å; R294-D298 VanDerWaalsContact O-CG 3.27Å; R294-D298 PolarHBondContact O-N 3.34Å
295H85.8Confident85.7Confident72 Ų7242.4 Ų42.433%0.33322%0.215SC..Hα-helixtrans-57.5-41.4179.3179.175.2000113Q241 L291 S297 D298 A299Q241-H295 PolarHBondContact NE2-CD2 3.18Å; Q241-H295 PolarHBondContact NE2-NE2 2.83Å; L291-H295 PolarHBondContact O-N 2.99Å; H295-S297 VanDerWaalsContact C-N 3.32Å; H295-S297 PolarHBondContact O-N 3.48Å; H295-D298 PolarHBondContact O-N 2.57Å; H295-A299 PolarHBondContact O-N 3.09Å
296R89Confident86.7Confident114 Ų11441.3 Ų41.343%0.4321%0.207SC..Hα-helixtrans-64.4-36.6173.7-72.1-168.6-57.91303.5112.7D292 A293 R294 F300 L312 D315D292-R296 WeakPolarHBondContact O-CG 3.48Å; D292-R296 PolarHBondContact O-N 3.02Å; D292-R296 VanDerWaalsContact O-N 3.13Å; A293-R296 PolarHBondContact O-N 3.33Å; R294-R296 VanDerWaalsContact C-N 3.28Å; R294-R296 PolarHBondContact O-N 3.05Å; R296-F300 VanDerWaalsContact O-CB 3.3Å; R296-F300 WeakPolarHBondContact O-CB 3.34Å; R296-F300 PolarHBondContact O-N 3.14Å; R296-L312 HydrophobicContact CB-CD2 4.2Å; R296-D315 IonicContact NH1-OD1 3.04Å; R296-D315 PolarHBondContact NH1-OD1 3.44Å
297S91.5Very high87.4Confident10 Ų1039.6 Ų39.67%0.0720%0.199CC..Hα-helixtrans-69.2-38175.5-59.60000112A293 R294 H295 F300 R301 L312A293-S297 WeakPolarHBondContact O-CB 3.37Å; A293-S297 PolarHBondContact O-N 3.47Å; A293-S297 PolarHBondContact O-OG 2.88Å; R294-S297 CarbonylContact O-C 3.52Å; R294-S297 WeakPolarHBondContact O-CA 3.25Å; R294-S297 WeakPolarHBondContact O-CB 3.49Å; R294-S297 PolarHBondContact O-N 3.35Å; H295-S297 VanDerWaalsContact C-N 3.32Å; H295-S297 PolarHBondContact O-N 3.48Å; S297-F300 PolarHBondContact O-N 2.93Å; S297-R301 WeakPolarHBondContact O-CB 3.24Å; S297-R301 VanDerWaalsContact O-CG 3.3Å; S297-R301 WeakPolarHBondContact O-CG 3.43Å; S297-R301 PolarHBondContact O-N 3.46Å; S297-R301 PolarHBondContact O-NE 2.98Å; S297-L312 PolarHBondContact OG-N 3.3Å
298D87.6Confident87.8Confident69 Ų6943 Ų4337%0.36922%0.217SC..Hα-helixtrans-61.6-50.9175-62.33.4000110.2R294 H295 F300 R301 C302R294-D298 VanDerWaalsContact O-CG 3.27Å; R294-D298 PolarHBondContact O-N 3.34Å; H295-D298 PolarHBondContact O-N 2.57Å; D298-F300 VanDerWaalsContact C-N 3.31Å; D298-F300 PolarHBondContact O-N 3.13Å; D298-R301 VanDerWaalsContact CG-NH2 3.32Å; D298-R301 PolarHBondContact O-N 3.44Å; D298-R301 IonicContact OD1-CZ 2.87Å; D298-R301 IonicContact OD1-NE 2.67Å; D298-R301 IonicContact OD1-NH2 3.73Å; D298-R301 PolarHBondContact OD1-NH2 3.38Å; D298-C302 WeakPolarHBondContact O-CB 3.35Å; D298-C302 PolarHBondContact O-N 2.89Å; D298-C302 PolarHBondContact O-SG 3.48Å
299A88.4Confident88Confident53 Ų5348.3 Ų48.344%0.43825%0.251SS..Hα-helixtrans-59.1-42176.400000112.2H295 Q303H295-A299 PolarHBondContact O-N 3.09Å; A299-Q303 VanDerWaalsContact O-CB 3.3Å; A299-Q303 WeakPolarHBondContact O-CB 3.39Å; A299-Q303 PolarHBondContact O-N 2.91Å
300F93Very high88.4Confident3 Ų345.4 Ų45.41%0.01324%0.24CC..Hα-helixtrans-61.5-47.2175.6169.9-117.9000112.4R296 S297 D298 Q303 F304 L306 E310 L312 F334 C341R296-F300 VanDerWaalsContact O-CB 3.3Å; R296-F300 WeakPolarHBondContact O-CB 3.34Å; R296-F300 PolarHBondContact O-N 3.14Å; S297-F300 PolarHBondContact O-N 2.93Å; D298-F300 VanDerWaalsContact C-N 3.31Å; D298-F300 PolarHBondContact O-N 3.13Å; F300-Q303 PolarHBondContact O-N 3Å; F300-F304 AromaticContact CD2-CD2 3.59Å; F300-F304 HydrophobicContact CD2-CD2 3.59Å; F300-F304 AromaticContact CD2-CE2 3.79Å; F300-F304 HydrophobicContact CD2-CE2 3.79Å; F300-F304 AromaticContact CE2-CD2 3.57Å; F300-F304 HydrophobicContact CE2-CD2 3.57Å; F300-F304 AromaticContact CE2-CE2 3.85Å; F300-F304 HydrophobicContact CE2-CE2 3.85Å; F300-F304 WeakPolarHBondContact O-CD2 3.45Å; F300-F304 PolarHBondContact O-N 3.5Å; F300-L306 HydrophobicContact CD1-CD1 3.92Å; F300-L306 HydrophobicContact CD2-CD1 4.35Å; F300-L306 HydrophobicContact CE1-CD1 3.29Å; F300-L306 HydrophobicContact CE2-CD1 3.75Å; F300-L306 HydrophobicContact CG-CD1 4.43Å; F300-L306 HydrophobicContact CZ-CD1 3.2Å; F300-E310 HydrophobicContact CE1-CG 4.19Å; F300-L312 HydrophobicContact CB-CB 4.11Å; F300-L312 HydrophobicContact CB-CD1 4.42Å; F300-L312 HydrophobicContact CB-CD2 4.32Å; F300-L312 HydrophobicContact CD1-CB 3.86Å; F300-L312 HydrophobicContact CD1-CD1 4.06Å; F300-L312 HydrophobicContact CD2-CD1 4.03Å; F300-L312 HydrophobicContact CE1-CD1 4.3Å; F300-L312 HydrophobicContact CE2-CD1 4.31Å; F300-L312 HydrophobicContact CG-CB 4.1Å; F300-L312 HydrophobicContact CG-CD1 3.9Å; F300-L312 HydrophobicContact CG-CG 4.44Å; F300-L312 HydrophobicContact CZ-CD1 4.42Å; F300-F334 HydrophobicContact CD2-CB 3.76Å; F300-F334 AromaticContact CD2-CD1 3.79Å; F300-F334 HydrophobicContact CD2-CD1 3.79Å; F300-F334 AromaticContact CD2-CG 3.9Å; F300-F334 HydrophobicContact CD2-CG 3.9Å; F300-F334 HydrophobicContact CE2-CB 3.34Å; F300-F334 HydrophobicContact CE2-CD1 4.29Å; F300-F334 AromaticContact CE2-CG 3.95Å; F300-F334 HydrophobicContact CE2-CG 3.95Å; F300-F334 HydrophobicContact CZ-CB 4.19Å; F300-C341 HydrophobicContact CE2-CB 4.02Å
301R92.4Very high88.9Confident47 Ų4751 Ų5118%0.17726%0.264CS..Hα-helixtrans-62.9-46.3178.3-72.2179.5-66.5155.813.9111.8S297 D298 Q303 F304 N305 L306 P307 L308 E310S297-R301 WeakPolarHBondContact O-CB 3.24Å; S297-R301 VanDerWaalsContact O-CG 3.3Å; S297-R301 WeakPolarHBondContact O-CG 3.43Å; S297-R301 PolarHBondContact O-N 3.46Å; S297-R301 PolarHBondContact O-NE 2.98Å; D298-R301 VanDerWaalsContact CG-NH2 3.32Å; D298-R301 PolarHBondContact O-N 3.44Å; D298-R301 IonicContact OD1-CZ 2.87Å; D298-R301 IonicContact OD1-NE 2.67Å; D298-R301 IonicContact OD1-NH2 3.73Å; D298-R301 PolarHBondContact OD1-NH2 3.38Å; R301-Q303 VanDerWaalsContact C-N 3.33Å; R301-Q303 PolarHBondContact O-N 3.25Å; R301-F304 PolarHBondContact O-N 3.01Å; R301-N305 WeakPolarHBondContact O-CA 3.49Å; R301-N305 PolarHBondContact O-N 2.8Å; R301-L306 HydrophobicContact CB-CB 4.44Å; R301-L306 HydrophobicContact CG-CB 4.27Å; R301-L306 PolarHBondContact O-N 3.23Å; R301-P307 VanDerWaalsContact CD-O 3.25Å; R301-P307 WeakPolarHBondContact CD-O 3.35Å; R301-L308 VanDerWaalsContact NH1-CA 3.29Å; R301-L308 PolarHBondContact NH1-O 3.37Å; R301-E310 VanDerWaalsContact CD-O 3.24Å; R301-E310 WeakPolarHBondContact CD-O 3.3Å; R301-E310 HydrophobicContact CG-CB 4.42Å
302C87.8Confident89.3Confident89 Ų8951.6 Ų51.660%0.60127%0.267SS*.Hα-helixtrans-63.5-36.8178.4-67.80000112.4D298 F304D298-C302 WeakPolarHBondContact O-CB 3.35Å; D298-C302 PolarHBondContact O-N 2.89Å; D298-C302 PolarHBondContact O-SG 3.48Å; C302-F304 VanDerWaalsContact C-N 3.32Å; C302-F304 PolarHBondContact O-N 3.35Å
303Q89.3Confident89.5Confident102 Ų10251.4 Ų51.448%0.47727%0.266SS..Hα-helixtrans-67.2-32.3-179.3-178170.714.100113.2A299 F300 R301 A343A299-Q303 VanDerWaalsContact O-CB 3.3Å; A299-Q303 WeakPolarHBondContact O-CB 3.39Å; A299-Q303 PolarHBondContact O-N 2.91Å; F300-Q303 PolarHBondContact O-N 3Å; R301-Q303 VanDerWaalsContact C-N 3.33Å; R301-Q303 PolarHBondContact O-N 3.25Å; Q303-A343 VanDerWaalsContact NE2-CB 3.25Å
304F92.1Very high89.8Confident3 Ų351.4 Ų51.41%0.01327%0.268CS..Hα-helixtrans-115.32-172.3-66.1-70.2000114.2F300 R301 C302 L306 F334 C341 F342 A343 V353F300-F304 AromaticContact CD2-CD2 3.59Å; F300-F304 HydrophobicContact CD2-CD2 3.59Å; F300-F304 AromaticContact CD2-CE2 3.79Å; F300-F304 HydrophobicContact CD2-CE2 3.79Å; F300-F304 AromaticContact CE2-CD2 3.57Å; F300-F304 HydrophobicContact CE2-CD2 3.57Å; F300-F304 AromaticContact CE2-CE2 3.85Å; F300-F304 HydrophobicContact CE2-CE2 3.85Å; F300-F304 WeakPolarHBondContact O-CD2 3.45Å; F300-F304 PolarHBondContact O-N 3.5Å; R301-F304 PolarHBondContact O-N 3.01Å; C302-F304 VanDerWaalsContact C-N 3.32Å; C302-F304 PolarHBondContact O-N 3.35Å; F304-L306 HydrophobicContact CB-CD1 3.94Å; F304-L306 HydrophobicContact CB-CD2 4.01Å; F304-L306 HydrophobicContact CB-CG 3.68Å; F304-F334 HydrophobicContact CE2-CB 4.49Å; F304-F334 AromaticContact CE2-CD2 3.58Å; F304-F334 HydrophobicContact CE2-CD2 3.58Å; F304-F334 AromaticContact CE2-CE2 3.77Å; F304-F334 HydrophobicContact CE2-CE2 3.77Å; F304-F334 AromaticContact CE2-CG 3.99Å; F304-F334 HydrophobicContact CE2-CG 3.99Å; F304-F334 HydrophobicContact CE2-CZ 4.32Å; F304-F334 AromaticContact CZ-CD2 3.67Å; F304-F334 HydrophobicContact CZ-CD2 3.67Å; F304-F334 AromaticContact CZ-CE2 3.75Å; F304-F334 HydrophobicContact CZ-CE2 3.75Å; F304-C341 HydrophobicContact CD1-CB 3.8Å; F304-C341 HydrophobicContact CD2-CB 3.79Å; F304-C341 HydrophobicContact CE1-CB 3.72Å; F304-C341 HydrophobicContact CE2-CB 3.72Å; F304-C341 HydrophobicContact CG-CB 3.83Å; F304-C341 HydrophobicContact CZ-CB 3.67Å; F304-F342 WeakPolarHBondContact CE1-O 3.22Å; F304-A343 HydrophobicContact CE1-CB 4.1Å; F304-A343 HydrophobicContact CZ-CB 3.77Å; F304-V353 HydrophobicContact CB-CG2 3.94Å; F304-V353 HydrophobicContact CD1-CG2 3.77Å; F304-V353 HydrophobicContact CG-CG2 4.23Å
305N91.3Very high90.2Very high27 Ų2750.1 Ų50.114%0.14427%0.267CS..THydrogen-bonded Turntrans56.249.5-173.4-62-23.5000112.6R301 C502R301-N305 WeakPolarHBondContact O-CA 3.49Å; R301-N305 PolarHBondContact O-N 2.8Å; N305-C502 PolarHBondContact ND2-O 2.89Å
306L92.6Very high90.6Very high4 Ų448 Ų482%0.02126%0.259CS..  trans-92.7154.7-176.6-55.6175.4000112.6F300 R301 F304 E310 F339 V353 R603F300-L306 HydrophobicContact CD1-CD1 3.92Å; F300-L306 HydrophobicContact CD2-CD1 4.35Å; F300-L306 HydrophobicContact CE1-CD1 3.29Å; F300-L306 HydrophobicContact CE2-CD1 3.75Å; F300-L306 HydrophobicContact CG-CD1 4.43Å; F300-L306 HydrophobicContact CZ-CD1 3.2Å; R301-L306 HydrophobicContact CB-CB 4.44Å; R301-L306 HydrophobicContact CG-CB 4.27Å; R301-L306 PolarHBondContact O-N 3.23Å; F304-L306 HydrophobicContact CB-CD1 3.94Å; F304-L306 HydrophobicContact CB-CD2 4.01Å; F304-L306 HydrophobicContact CB-CG 3.68Å; L306-E310 HydrophobicContact CB-CB 4.46Å; L306-F339 HydrophobicContact CD2-CD1 3.74Å; L306-F339 HydrophobicContact CD2-CD2 4.21Å; L306-F339 HydrophobicContact CD2-CE1 3.82Å; L306-F339 HydrophobicContact CD2-CE2 4.32Å; L306-F339 HydrophobicContact CD2-CG 3.94Å; L306-F339 HydrophobicContact CD2-CZ 4.13Å; L306-V353 HydrophobicContact CD2-CG1 3.84Å; L306-R603 WeakPolarHBondContact O-CD 3.44Å
307P89.6Confident90.9Very high4 Ų446.8 Ų46.83%0.02626%0.259CS..  trans-53.3150.5179.3-26.635.5000114.1R301 T309 E310 F339 E508R301-P307 VanDerWaalsContact CD-O 3.25Å; R301-P307 WeakPolarHBondContact CD-O 3.35Å; P307-T309 PolarHBondContact O-N 3.01Å; P307-T309 VanDerWaalsContact O-N 3.17Å; P307-E310 WeakPolarHBondContact O-CB 3.38Å; P307-E310 PolarHBondContact O-N 3.37Å; P307-E310 VanDerWaalsContact O-N 3.07Å; P307-F339 HydrophobicContact CG-CE2 4.33Å; P307-F339 HydrophobicContact CG-CZ 4.28Å; P307-E508 HydrophobicContact CB-CG 4.23Å; P307-E508 HydrophobicContact CG-CB 3.96Å; P307-E508 HydrophobicContact CG-CG 3.8Å
308L83.9Confident91.1Very high81 Ų8146.7 Ų46.742%0.42426%0.258SS..THydrogen-bonded Turntrans-61.7-26.8-177.9-74.2-179.5000113.4R301 E310 E602R301-L308 VanDerWaalsContact NH1-CA 3.29Å; R301-L308 PolarHBondContact NH1-O 3.37Å; L308-E310 VanDerWaalsContact C-N 3.27Å; L308-E310 PolarHBondContact O-N 3.37Å; L308-E602 HydrophobicContact CD1-CB 3.77Å; L308-E602 HydrophobicContact CD1-CG 4.39Å; L308-E602 HydrophobicContact CG-CB 4.34Å
309T86.6Confident91.4Very high120 Ų12048.5 Ų48.574%0.73626%0.259SS*.THydrogen-bonded Turntrans-76.9-13.2179.752.40000113.5P307P307-T309 PolarHBondContact O-N 3.01Å; P307-T309 VanDerWaalsContact O-N 3.17Å
310E90.8Very high91.8Very high4 Ų446 Ų462%0.01924%0.239CC..  trans-76130.5-174-163.863.3-161.200111.9F300 R301 L306 P307 L308 S336 A337 N338 F339F300-E310 HydrophobicContact CE1-CG 4.19Å; R301-E310 VanDerWaalsContact CD-O 3.24Å; R301-E310 WeakPolarHBondContact CD-O 3.3Å; R301-E310 HydrophobicContact CG-CB 4.42Å; L306-E310 HydrophobicContact CB-CB 4.46Å; P307-E310 WeakPolarHBondContact O-CB 3.38Å; P307-E310 PolarHBondContact O-N 3.37Å; P307-E310 VanDerWaalsContact O-N 3.07Å; L308-E310 VanDerWaalsContact C-N 3.27Å; L308-E310 PolarHBondContact O-N 3.37Å; E310-S336 WeakPolarHBondContact OE1-CB 3.18Å; E310-S336 PolarHBondContact OE1-OG 3.46Å; E310-A337 PolarHBondContact OE1-N 2.91Å; E310-N338 PolarHBondContact OE1-N 3.23Å; E310-N338 WeakPolarHBondContact OE2-CB 3.49Å; E310-N338 PolarHBondContact OE2-ND2 3.27Å; E310-F339 HydrophobicContact CG-CD2 3.83Å; E310-F339 HydrophobicContact CG-CE2 4.25Å
311K91.5Very high91.8Very high118 Ų11848.4 Ų48.451%0.51325%0.249SC..  trans-116.8133179.7-65.4-177.7-180-179.40110.7D263 D313 S336D263-K311 IonicContact OD1-NZ 2.73Å; D263-K311 IonicContact OD2-NZ 3.1Å; D263-K311 PolarHBondContact OD2-NZ 3.17Å; K311-D313 PolarHBondContact O-N 3.38Å; K311-S336 VanDerWaalsContact O-CB 3.23Å; K311-S336 WeakPolarHBondContact O-CB 3.49Å
312L94.3Very high91.9Very high17 Ų1746.1 Ų46.19%0.08924%0.241CC..EExtended strand (participates in β ladder)trans-68.8120.8175.5-18067.5000108.9R296 S297 F300 G314 F334R296-L312 HydrophobicContact CB-CD2 4.2Å; S297-L312 PolarHBondContact OG-N 3.3Å; F300-L312 HydrophobicContact CB-CB 4.11Å; F300-L312 HydrophobicContact CB-CD1 4.42Å; F300-L312 HydrophobicContact CB-CD2 4.32Å; F300-L312 HydrophobicContact CD1-CB 3.86Å; F300-L312 HydrophobicContact CD1-CD1 4.06Å; F300-L312 HydrophobicContact CD2-CD1 4.03Å; F300-L312 HydrophobicContact CE1-CD1 4.3Å; F300-L312 HydrophobicContact CE2-CD1 4.31Å; F300-L312 HydrophobicContact CG-CB 4.1Å; F300-L312 HydrophobicContact CG-CD1 3.9Å; F300-L312 HydrophobicContact CG-CG 4.44Å; F300-L312 HydrophobicContact CZ-CD1 4.42Å; L312-G314 WeakPolarHBondContact CD1-O 3.48Å; L312-F334 HydrophobicContact CD1-CB 4.07Å; L312-F334 HydrophobicContact CD1-CD1 4.02Å
313D91.5Very high92Very high41 Ų4144.9 Ų44.922%0.21923%0.231CC..EExtended strand (participates in β ladder)trans-96.6-31.6179.1165-85.2000111.8K269 K311 V335 K401 F405K269-D313 IonicContact NZ-OD2 2.83Å; K269-D313 PolarHBondContact NZ-OD2 2.92Å; K311-D313 PolarHBondContact O-N 3.38Å; D313-V335 PolarHBondContact N-O 3.43Å; D313-V335 VanDerWaalsContact N-O 3.08Å; D313-K401 WeakPolarHBondContact OD1-CD 3.42Å; D313-K401 WeakPolarHBondContact OD1-CE 3.11Å; D313-K401 IonicContact OD1-NZ 3.44Å; D313-K401 PolarHBondContact OD1-NZ 3.18Å; D313-K401 WeakPolarHBondContact OD2-CE 3.45Å; D313-K401 IonicContact OD2-NZ 2.56Å; D313-K401 PolarHBondContact OD2-NZ 3.45Å; D313-F405 HydrophobicContact CB-CZ 4.26Å
314G91Very high92Very high21 Ų2142.5 Ų42.522%0.21622%0.218CC..EExtended strand (participates in β ladder)trans-172.2161.3172.300000114L312 V335L312-G314 WeakPolarHBondContact CD1-O 3.48Å; G314-V335 PolarHBondContact N-O 3.39Å; G314-V335 VanDerWaalsContact N-O 3.16Å; G314-V335 PolarHBondContact O-N 3.41Å
315D94.2Very high91.9Very high53 Ų5345.5 Ų45.528%0.28324%0.235SC..EExtended strand (participates in β ladder)trans-141.5149.6179.562.2-92.9000110.7R296 K332 L333 F334R296-D315 IonicContact NH1-OD1 3.04Å; R296-D315 PolarHBondContact NH1-OD1 3.44Å; D315-K332 WeakPolarHBondContact OD2-CE 3.28Å; D315-K332 IonicContact OD2-NZ 3.42Å; D315-K332 PolarHBondContact OD2-NZ 2.98Å; D315-L333 CarbonylContact C-O 3.42Å; D315-L333 VanDerWaalsContact CA-O 3.22Å; D315-L333 WeakPolarHBondContact CA-O 3.45Å; D315-F334 HydrophobicContact CB-CD1 3.8Å; D315-F334 HydrophobicContact CB-CE1 4.2Å; D315-F334 HydrophobicContact CB-CG 4.45Å
316T94.3Very high91.9Very high27 Ų2754.1 Ų54.117%0.16627%0.265CS..EExtended strand (participates in β ladder)trans-151.8151.8178.9-166.50000111.6K332 L333 V392 P393 V398T316-K332 WeakPolarHBondContact O-CA 3.44Å; T316-K332 WeakPolarHBondContact O-CG 3.41Å; T316-L333 HydrophobicContact CG2-CB 4.17Å; T316-L333 HydrophobicContact CG2-CD2 4.33Å; T316-L333 PolarHBondContact N-O 2.92Å; T316-L333 PolarHBondContact O-N 3.41Å; T316-V392 HydrophobicContact CG2-CG1 4Å; T316-P393 WeakPolarHBondContact OG1-CD 3.25Å; T316-P393 WeakPolarHBondContact OG1-CG 3.5Å; T316-V398 HydrophobicContact CG2-CG2 4.35Å
317Q95.3Very high91.9Very high90 Ų9061.9 Ų61.942%0.42129%0.294SS..EExtended strand (participates in β ladder)trans-72137.2174.9-65.6-69.6-46.900109.4G331 P393Q317-G331 PolarHBondContact OE1-O 2.9Å; Q317-P393 WeakPolarHBondContact O-CD 3.4Å
318C94.6Very high92Very high7 Ų766.2 Ų66.25%0.04731%0.314CS..EExtended strand (participates in β ladder)trans-154.5-175.2175.975.40000111.4G331 L333 V392C318-G331 PolarHBondContact N-O 2.93Å; C318-G331 CarbonylContact O-C 3.07Å; C318-G331 PolarHBondContact O-N 3.05Å; C318-L333 HydrophobicContact CB-CB 4.47Å; C318-V392 HydrophobicContact CB-CG2 4Å
319R95.4Very high92.5Very high107 Ų10763 Ų6340%0.40430%0.298SS..EExtended strand (participates in β ladder)trans-122.1129.5168.2-61.4-179.9176.7109.4-1.9110.9H328 V329 P330 F389 S390R319-H328 HydrophobicContact CB-CB 4.14Å; R319-V329 CarbonylContact C-O 3.18Å; R319-V329 VanDerWaalsContact CA-O 3.23Å; R319-V329 WeakPolarHBondContact CA-O 3.3Å; R319-P330 HydrophobicContact CG-CB 4.41Å; R319-F389 CarbonylContact O-C 3.57Å; R319-F389 WeakPolarHBondContact O-CA 2.99Å; R319-S390 WeakPolarHBondContact CB-OG 3.39Å; R319-S390 PolarHBondContact N-O 3.2Å; R319-S390 PolarHBondContact O-N 3.4Å; R319-S390 PolarHBondContact O-OG 3.33Å; R319-S390 VanDerWaalsContact O-OG 3.04Å
320L96.1Very high93Very high0 Ų060.3 Ų60.30%028%0.282CS..EExtended strand (participates in β ladder)trans-86.8130.4172.1173.966.1000109.4T322 H328 V329 F342 V350 I352 V387 F389 Y477L320-T322 HydrophobicContact CD2-CG2 4.42Å; L320-T322 HydrophobicContact CG-CG2 4.48Å; L320-H328 CarbonylContact O-C 3.45Å; L320-H328 WeakPolarHBondContact O-CA 3.32Å; L320-V329 PolarHBondContact N-O 3.35Å; L320-V329 PolarHBondContact O-N 2.9Å; L320-F342 HydrophobicContact CB-CD1 3.79Å; L320-F342 HydrophobicContact CB-CD2 4.05Å; L320-F342 HydrophobicContact CB-CE1 3.51Å; L320-F342 HydrophobicContact CB-CE2 3.78Å; L320-F342 HydrophobicContact CB-CG 4.05Å; L320-F342 HydrophobicContact CB-CZ 3.49Å; L320-F342 VanDerWaalsContact CB-CZ 3.49Å; L320-F342 HydrophobicContact CD2-CD1 3.45Å; L320-F342 VanDerWaalsContact CD2-CD1 3.45Å; L320-F342 HydrophobicContact CD2-CE1 3.67Å; L320-F342 HydrophobicContact CD2-CG 4.16Å; L320-F342 HydrophobicContact CG-CD1 4.22Å; L320-F342 HydrophobicContact CG-CE1 4.25Å; L320-V350 HydrophobicContact CD2-CG1 4.3Å; L320-V350 HydrophobicContact CD2-CG2 4.19Å; L320-I352 HydrophobicContact CD2-CG2 4.11Å; L320-V387 HydrophobicContact CD1-CG1 3.79Å; L320-F389 HydrophobicContact CB-CD1 4.45Å; L320-F389 HydrophobicContact CB-CE1 4.4Å; L320-F389 HydrophobicContact CD1-CD1 4.1Å; L320-F389 HydrophobicContact CD1-CE1 3.67Å; L320-F389 HydrophobicContact CD1-CZ 4.21Å; L320-Y477 HydrophobicContact CD1-CE1 4.48Å; L320-Y477 HydrophobicContact CD2-CD1 4.36Å; L320-Y477 HydrophobicContact CD2-CE1 4.04Å
321F94.2Very high93.2Very high54 Ų5460.2 Ų60.224%0.23728%0.282CS..EExtended strand (participates in β ladder)trans-81.8124.1168.3179.4-104.9000109.9R326 R327 H328 I388F321-R326 HydrophobicContact CE2-CB 4.4Å; F321-R326 HydrophobicContact CZ-CB 4.29Å; F321-R327 CarbonylContact C-O 3.43Å; F321-R327 WeakPolarHBondContact CA-O 3.34Å; F321-H328 AromaticContact CD2-CD2 3.94Å; F321-H328 AromaticContact CD2-CE1 3.8Å; F321-H328 AromaticContact CD2-NE2 3.56Å; F321-I388 HydrophobicContact CB-CB 3.96Å; F321-I388 HydrophobicContact CB-CG2 4.28Å; F321-I388 HydrophobicContact CD1-CD1 4.2Å; F321-I388 PolarHBondContact N-O 3.14Å
322T92.9Very high93.5Very high0 Ų057.5 Ų57.50%027%0.27CS..EExtended strand (participates in β ladder)trans-99.8115.7179.541.30000109.7L320 Y324 D325 R326 R327 V329 V350L320-T322 HydrophobicContact CD2-CG2 4.42Å; L320-T322 HydrophobicContact CG-CG2 4.48Å; T322-Y324 HydrophobicContact CG2-CE1 4.01Å; T322-Y324 HydrophobicContact CG2-CE2 4.39Å; T322-Y324 VanDerWaalsContact CG2-OH 3.27Å; T322-Y324 WeakPolarHBondContact CG2-OH 3.3Å; T322-Y324 PolarHBondContact O-N 3.48Å; T322-D325 WeakPolarHBondContact CB-OD1 3.44Å; T322-D325 PolarHBondContact OG1-OD1 3.26Å; T322-R326 WeakPolarHBondContact O-CA 3.39Å; T322-R326 PolarHBondContact O-N 3.14Å; T322-R327 PolarHBondContact N-O 3.38Å; T322-R327 PolarHBondContact O-N 3.42Å; T322-R327 PolarHBondContact OG1-O 2.86Å; T322-V329 HydrophobicContact CG2-CG2 3.91Å; T322-V350 HydrophobicContact CG2-CG1 4.32Å; T322-V350 HydrophobicContact CG2-CG2 4.41Å
323P89.6Confident93.6Very high62 Ų6256.8 Ų56.840%0.40327%0.267SS..THydrogen-bonded Turntrans-71.5-28.6-17026.2-33.9000113.7Y477P323-Y477 WeakPolarHBondContact CD-OH 3.22Å; P323-Y477 HydrophobicContact CG-CE2 3.94Å
324Y90.3Very high93.9Very high52 Ų5255.6 Ų55.620%0.20426%0.259CS..THydrogen-bonded Turntrans-72-34.8-175.947.2-96.1000113.5T322 Y470 Y477T322-Y324 HydrophobicContact CG2-CE1 4.01Å; T322-Y324 HydrophobicContact CG2-CE2 4.39Å; T322-Y324 VanDerWaalsContact CG2-OH 3.27Å; T322-Y324 WeakPolarHBondContact CG2-OH 3.3Å; T322-Y324 PolarHBondContact O-N 3.48Å; Y324-Y470 AromaticContact CD1-CD1 3.57Å; Y324-Y470 HydrophobicContact CD1-CD1 3.57Å; Y324-Y470 AromaticContact CD1-CE1 3.71Å; Y324-Y470 HydrophobicContact CD1-CE1 3.71Å; Y324-Y470 HydrophobicContact CD2-CD1 4.3Å; Y324-Y470 AromaticContact CD2-CE1 3.56Å; Y324-Y470 HydrophobicContact CD2-CE1 3.56Å; Y324-Y470 AromaticContact CE1-CD1 3.55Å; Y324-Y470 HydrophobicContact CE1-CD1 3.55Å; Y324-Y470 AromaticContact CE1-CE1 3.72Å; Y324-Y470 HydrophobicContact CE1-CE1 3.72Å; Y324-Y470 HydrophobicContact CE2-CD1 4.3Å; Y324-Y470 AromaticContact CE2-CE1 3.58Å; Y324-Y470 HydrophobicContact CE2-CE1 3.58Å; Y324-Y470 AromaticContact CG-CD1 3.96Å; Y324-Y470 HydrophobicContact CG-CD1 3.96Å; Y324-Y470 AromaticContact CG-CE1 3.63Å; Y324-Y470 HydrophobicContact CG-CE1 3.63Å; Y324-Y470 AromaticContact CZ-CD1 3.91Å; Y324-Y470 AromaticContact CZ-CE1 3.63Å; Y324-Y477 HydrophobicContact CE1-CD1 4.11Å; Y324-Y477 HydrophobicContact CE1-CD2 4.37Å; Y324-Y477 AromaticContact CE1-CG 3.97Å; Y324-Y477 HydrophobicContact CE1-CG 3.97Å
325D90.6Very high94.1Very high66 Ų6655 Ų5535%0.35325%0.252SS..THydrogen-bonded Turntrans-114.2-2177.770.5-10.2000113.5T322 R327T322-D325 WeakPolarHBondContact CB-OD1 3.44Å; T322-D325 PolarHBondContact OG1-OD1 3.26Å; D325-R327 PolarHBondContact O-N 2.94Å; D325-R327 PolarHBondContact OD1-N 2.99Å; D325-R327 WeakPolarHBondContact OD2-CD 3.49Å
326R90.9Very high94.2Very high208 Ų20852.5 Ų52.579%0.78524%0.238SC*.THydrogen-bonded Turntrans56.443.8179.3-57.5-178.7176.4-178.5-1.9113.2F321 T322F321-R326 HydrophobicContact CE2-CB 4.4Å; F321-R326 HydrophobicContact CZ-CB 4.29Å; T322-R326 WeakPolarHBondContact O-CA 3.39Å; T322-R326 PolarHBondContact O-N 3.14Å
327R91.3Very high94Very high167 Ų16753.1 Ų53.163%0.6325%0.246SC*.EExtended strand (participates in β ladder)trans-119.4160.5-178.7-68.1179-177.5-175.2-1112.4F321 T322 D325F321-R327 CarbonylContact C-O 3.43Å; F321-R327 WeakPolarHBondContact CA-O 3.34Å; T322-R327 PolarHBondContact N-O 3.38Å; T322-R327 PolarHBondContact O-N 3.42Å; T322-R327 PolarHBondContact OG1-O 2.86Å; D325-R327 PolarHBondContact O-N 2.94Å; D325-R327 PolarHBondContact OD1-N 2.99Å; D325-R327 WeakPolarHBondContact OD2-CD 3.49Å
328H91.8Very high94Very high96 Ų9651.4 Ų51.444%0.44424%0.24SC..EExtended strand (participates in β ladder)trans-102.9110.4171.1-73.9-91.3000109.5R319 L320 F321 S390R319-H328 HydrophobicContact CB-CB 4.14Å; L320-H328 CarbonylContact O-C 3.45Å; L320-H328 WeakPolarHBondContact O-CA 3.32Å; F321-H328 AromaticContact CD2-CD2 3.94Å; F321-H328 AromaticContact CD2-CE1 3.8Å; F321-H328 AromaticContact CD2-NE2 3.56Å; H328-S390 PolarHBondContact CE1-OG 3.29Å; H328-S390 PolarHBondContact ND1-OG 3.25Å
329V95.4Very high94.1Very high14 Ų1451 Ų519%0.08524%0.237CC..EExtended strand (participates in β ladder)trans-92.5122.1-179.2-177.90000109.9R319 L320 T322 F342 L349 V350R319-V329 CarbonylContact C-O 3.18Å; R319-V329 VanDerWaalsContact CA-O 3.23Å; R319-V329 WeakPolarHBondContact CA-O 3.3Å; L320-V329 PolarHBondContact N-O 3.35Å; L320-V329 PolarHBondContact O-N 2.9Å; T322-V329 HydrophobicContact CG2-CG2 3.91Å; V329-F342 WeakPolarHBondContact O-CZ 3.42Å; V329-L349 HydrophobicContact CG1-CD2 3.67Å; V329-L349 HydrophobicContact CG1-CG 4.43Å; V329-V350 HydrophobicContact CB-CG1 4.11Å; V329-V350 HydrophobicContact CG1-CG1 3.85Å; V329-V350 HydrophobicContact CG2-CG1 4.16Å
330P96.5Very high94.1Very high62 Ų6246 Ų4640%0.40322%0.219SC..EExtended strand (participates in β ladder)trans-71.1138.3176.429.9-34.1000111.6R319 R345R319-P330 HydrophobicContact CG-CB 4.41Å; P330-R345 PolarHBondContact O-N 3.11Å
331G96.4Very high94.2Very high2 Ų246 Ų462%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-174.4-152.4179.800000111.9Q317 C318 A343Q317-G331 PolarHBondContact OE1-O 2.9Å; C318-G331 PolarHBondContact N-O 2.93Å; C318-G331 CarbonylContact O-C 3.07Å; C318-G331 PolarHBondContact O-N 3.05Å; G331-A343 CarbonylContact C-O 3.6Å; G331-A343 VanDerWaalsContact CA-O 3.23Å; G331-A343 WeakPolarHBondContact CA-O 3.48Å
332K96.6Very high94.4Very high62 Ų6243.4 Ų43.427%0.2721%0.207SC..EExtended strand (participates in β ladder)trans-130.1130-174.3-159.2176.3-172.6-161.30110.3D315 T316 F334 F342 A343D315-K332 WeakPolarHBondContact OD2-CE 3.28Å; D315-K332 IonicContact OD2-NZ 3.42Å; D315-K332 PolarHBondContact OD2-NZ 2.98Å; T316-K332 WeakPolarHBondContact O-CA 3.44Å; T316-K332 WeakPolarHBondContact O-CG 3.41Å; K332-F334 HydrophobicContact CB-CE2 3.8Å; K332-F334 HydrophobicContact CB-CZ 4.1Å; K332-F334 HydrophobicContact CD-CE1 4.05Å; K332-F334 HydrophobicContact CD-CE2 4.2Å; K332-F334 HydrophobicContact CD-CZ 3.65Å; K332-F334 HydrophobicContact CG-CE2 4.06Å; K332-F334 HydrophobicContact CG-CZ 4.02Å; K332-F334 WeakPolarHBondContact O-CD2 3.22Å; K332-F334 WeakPolarHBondContact O-CE2 3.39Å; K332-F342 WeakPolarHBondContact O-CA 3.08Å; K332-F342 WeakPolarHBondContact O-CD2 3.36Å; K332-A343 PolarHBondContact N-O 2.92Å; K332-A343 PolarHBondContact O-N 3.25Å
333L96.6Very high94.5Very high2 Ų244 Ų441%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-89.4135.8171.4-177.667.6000109D315 T316 C318 V335 V340 F389 V398D315-L333 CarbonylContact C-O 3.42Å; D315-L333 VanDerWaalsContact CA-O 3.22Å; D315-L333 WeakPolarHBondContact CA-O 3.45Å; T316-L333 HydrophobicContact CG2-CB 4.17Å; T316-L333 HydrophobicContact CG2-CD2 4.33Å; T316-L333 PolarHBondContact N-O 2.92Å; T316-L333 PolarHBondContact O-N 3.41Å; C318-L333 HydrophobicContact CB-CB 4.47Å; L333-V335 HydrophobicContact CD2-CG2 4.34Å; L333-V335 HydrophobicContact CG-CG2 4.21Å; L333-V340 HydrophobicContact CD1-CG1 3.49Å; L333-V340 VanDerWaalsContact CD1-CG1 3.49Å; L333-F389 HydrophobicContact CD1-CD1 4.08Å; L333-F389 HydrophobicContact CD1-CD2 4.25Å; L333-F389 HydrophobicContact CD1-CE1 3.79Å; L333-F389 HydrophobicContact CD1-CE2 3.95Å; L333-F389 HydrophobicContact CD1-CG 4.29Å; L333-F389 HydrophobicContact CD1-CZ 3.71Å; L333-V398 HydrophobicContact CD2-CG1 3.94Å
334F97.4Very high94.9Very high15 Ų1541.7 Ų41.77%0.06620%0.197CC..EExtended strand (participates in β ladder)trans-123.2135.8175.7-58.6-99.2000108.7F300 F304 L312 D315 K332 V340 C341 A343F300-F334 HydrophobicContact CD2-CB 3.76Å; F300-F334 AromaticContact CD2-CD1 3.79Å; F300-F334 HydrophobicContact CD2-CD1 3.79Å; F300-F334 AromaticContact CD2-CG 3.9Å; F300-F334 HydrophobicContact CD2-CG 3.9Å; F300-F334 HydrophobicContact CE2-CB 3.34Å; F300-F334 HydrophobicContact CE2-CD1 4.29Å; F300-F334 AromaticContact CE2-CG 3.95Å; F300-F334 HydrophobicContact CE2-CG 3.95Å; F300-F334 HydrophobicContact CZ-CB 4.19Å; F304-F334 HydrophobicContact CE2-CB 4.49Å; F304-F334 AromaticContact CE2-CD2 3.58Å; F304-F334 HydrophobicContact CE2-CD2 3.58Å; F304-F334 AromaticContact CE2-CE2 3.77Å; F304-F334 HydrophobicContact CE2-CE2 3.77Å; F304-F334 AromaticContact CE2-CG 3.99Å; F304-F334 HydrophobicContact CE2-CG 3.99Å; F304-F334 HydrophobicContact CE2-CZ 4.32Å; F304-F334 AromaticContact CZ-CD2 3.67Å; F304-F334 HydrophobicContact CZ-CD2 3.67Å; F304-F334 AromaticContact CZ-CE2 3.75Å; F304-F334 HydrophobicContact CZ-CE2 3.75Å; L312-F334 HydrophobicContact CD1-CB 4.07Å; L312-F334 HydrophobicContact CD1-CD1 4.02Å; D315-F334 HydrophobicContact CB-CD1 3.8Å; D315-F334 HydrophobicContact CB-CE1 4.2Å; D315-F334 HydrophobicContact CB-CG 4.45Å; K332-F334 HydrophobicContact CB-CE2 3.8Å; K332-F334 HydrophobicContact CB-CZ 4.1Å; K332-F334 HydrophobicContact CD-CE1 4.05Å; K332-F334 HydrophobicContact CD-CE2 4.2Å; K332-F334 HydrophobicContact CD-CZ 3.65Å; K332-F334 HydrophobicContact CG-CE2 4.06Å; K332-F334 HydrophobicContact CG-CZ 4.02Å; K332-F334 WeakPolarHBondContact O-CD2 3.22Å; K332-F334 WeakPolarHBondContact O-CE2 3.39Å; F334-V340 WeakPolarHBondContact O-CA 3.37Å; F334-C341 HydrophobicContact CB-CB 4.32Å; F334-C341 PolarHBondContact N-O 3.37Å; F334-C341 PolarHBondContact O-N 3.44Å; F334-A343 HydrophobicContact CE2-CB 4.38Å
335V95.9Very high95Very high9 Ų948 Ų486%0.05522%0.221CC..EExtended strand (participates in β ladder)trans-127.8131.1-178.4-175.40000109.2D313 G314 L333 V398 I402 F405D313-V335 PolarHBondContact N-O 3.43Å; D313-V335 VanDerWaalsContact N-O 3.08Å; G314-V335 PolarHBondContact N-O 3.39Å; G314-V335 VanDerWaalsContact N-O 3.16Å; G314-V335 PolarHBondContact O-N 3.41Å; L333-V335 HydrophobicContact CD2-CG2 4.34Å; L333-V335 HydrophobicContact CG-CG2 4.21Å; V335-V398 HydrophobicContact CG2-CG1 4.3Å; V335-I402 HydrophobicContact CG1-CG1 3.81Å; V335-I402 HydrophobicContact CG2-CD1 4.23Å; V335-I402 HydrophobicContact CG2-CG1 4.34Å; V335-F405 HydrophobicContact CG1-CD2 4.24Å; V335-F405 HydrophobicContact CG1-CE2 4.05Å
336S95.4Very high95.1Very high0 Ų049.2 Ų49.20%023%0.231CC..EExtended strand (participates in β ladder)trans-137.9-178.4176.4690000110.1E310 K311 N338 F339 F405E310-S336 WeakPolarHBondContact OE1-CB 3.18Å; E310-S336 PolarHBondContact OE1-OG 3.46Å; K311-S336 VanDerWaalsContact O-CB 3.23Å; K311-S336 WeakPolarHBondContact O-CB 3.49Å; S336-N338 VanDerWaalsContact C-N 3.29Å; S336-N338 PolarHBondContact O-N 3.19Å; S336-F339 PolarHBondContact N-O 2.94Å; S336-F339 WeakPolarHBondContact OG-CB 3.21Å; S336-F339 PolarHBondContact OG-N 2.81Å; S336-F339 PolarHBondContact OG-O 3.17Å; S336-F405 VanDerWaalsContact O-CD2 3.29Å; S336-F405 WeakPolarHBondContact O-CD2 3.3Å; S336-F405 WeakPolarHBondContact O-CE2 3.47Å
337A91.8Very high94.7Very high40 Ų4046.6 Ų46.633%0.33123%0.227SC..SBendtrans-65.1-32.8-172.600000113.1E310 L356E310-A337 PolarHBondContact OE1-N 2.91Å; A337-L356 WeakPolarHBondContact O-CD1 3.25Å
338N94.2Very high94.3Very high54 Ų5442.2 Ų42.229%0.28921%0.211SC..SBendtrans-117.3-7.5-177.2-61.4-58.5000113.8E310 S336 P355 L356 L511E310-N338 PolarHBondContact OE1-N 3.23Å; E310-N338 WeakPolarHBondContact OE2-CB 3.49Å; E310-N338 PolarHBondContact OE2-ND2 3.27Å; S336-N338 VanDerWaalsContact C-N 3.29Å; S336-N338 PolarHBondContact O-N 3.19Å; N338-P355 CarbonylContact O-C 3.55Å; N338-P355 WeakPolarHBondContact O-CA 3.5Å; N338-L356 PolarHBondContact O-N 3.17Å; N338-L511 HydrophobicContact CB-CD1 4.01Å; N338-L511 HydrophobicContact CB-CD2 4.15Å
339F96.2Very high94.3Very high0 Ų041.2 Ų41.20%021%0.208CC..EExtended strand (participates in β ladder)trans-138.6148.6-171.6-60.6-92.9000113.8L306 P307 E310 S336 V353 V354 P355 A507 L511L306-F339 HydrophobicContact CD2-CD1 3.74Å; L306-F339 HydrophobicContact CD2-CD2 4.21Å; L306-F339 HydrophobicContact CD2-CE1 3.82Å; L306-F339 HydrophobicContact CD2-CE2 4.32Å; L306-F339 HydrophobicContact CD2-CG 3.94Å; L306-F339 HydrophobicContact CD2-CZ 4.13Å; P307-F339 HydrophobicContact CG-CE2 4.33Å; P307-F339 HydrophobicContact CG-CZ 4.28Å; E310-F339 HydrophobicContact CG-CD2 3.83Å; E310-F339 HydrophobicContact CG-CE2 4.25Å; S336-F339 PolarHBondContact N-O 2.94Å; S336-F339 WeakPolarHBondContact OG-CB 3.21Å; S336-F339 PolarHBondContact OG-N 2.81Å; S336-F339 PolarHBondContact OG-O 3.17Å; F339-V353 HydrophobicContact CD1-CG1 3.78Å; F339-V353 HydrophobicContact CE1-CG1 4.17Å; F339-V354 WeakPolarHBondContact CA-O 3.14Å; F339-P355 HydrophobicContact CD1-CB 4.28Å; F339-P355 HydrophobicContact CD1-CG 4.27Å; F339-P355 HydrophobicContact CE1-CB 4.16Å; F339-P355 HydrophobicContact CE1-CG 4.04Å; F339-A507 HydrophobicContact CE1-CB 3.73Å; F339-A507 HydrophobicContact CZ-CB 4.06Å; F339-L511 HydrophobicContact CE2-CD1 3.75Å; F339-L511 HydrophobicContact CZ-CD1 3.64Å
340V96.9Very high94.3Very high1 Ų140.6 Ų40.61%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-119.8119.2161.4177.20000107.6L333 F334 V354 L356 L379 F389 I402L333-V340 HydrophobicContact CD1-CG1 3.49Å; L333-V340 VanDerWaalsContact CD1-CG1 3.49Å; F334-V340 WeakPolarHBondContact O-CA 3.37Å; V340-V354 HydrophobicContact CB-CB 4.42Å; V340-V354 PolarHBondContact N-O 3.14Å; V340-V354 WeakPolarHBondContact O-CA 3.25Å; V340-V354 VanDerWaalsContact O-CB 3.3Å; V340-V354 WeakPolarHBondContact O-CB 3.36Å; V340-V354 PolarHBondContact O-N 2.77Å; V340-L356 HydrophobicContact CG2-CD2 3.72Å; V340-L356 HydrophobicContact CG2-CG 4.47Å; V340-L379 HydrophobicContact CB-CD1 4.31Å; V340-L379 HydrophobicContact CG1-CD1 4.08Å; V340-F389 HydrophobicContact CG1-CE2 4.19Å; V340-F389 HydrophobicContact CG1-CZ 4.38Å; V340-I402 HydrophobicContact CG2-CD1 3.95Å; V340-I402 HydrophobicContact CG2-CG1 4.15Å; V340-I402 HydrophobicContact CG2-CG2 4.47Å
341C97.3Very high94.2Very high0 Ų039 Ų390%020%0.195CC..EExtended strand (participates in β ladder)trans-123152.6-176.9-55.80000111F300 F304 F334 I352F300-C341 HydrophobicContact CE2-CB 4.02Å; F304-C341 HydrophobicContact CD1-CB 3.8Å; F304-C341 HydrophobicContact CD2-CB 3.79Å; F304-C341 HydrophobicContact CE1-CB 3.72Å; F304-C341 HydrophobicContact CE2-CB 3.72Å; F304-C341 HydrophobicContact CG-CB 3.83Å; F304-C341 HydrophobicContact CZ-CB 3.67Å; F334-C341 HydrophobicContact CB-CB 4.32Å; F334-C341 PolarHBondContact N-O 3.37Å; F334-C341 PolarHBondContact O-N 3.44Å; C341-I352 WeakPolarHBondContact CA-O 3.41Å
342F97.6Very high94.2Very high0 Ų039 Ų390%019%0.194CC..EExtended strand (participates in β ladder)trans-136.7139.1172.6171.2-83.1000111.3F304 L320 V329 K332 V350 S351 I352 F389F304-F342 WeakPolarHBondContact CE1-O 3.22Å; L320-F342 HydrophobicContact CB-CD1 3.79Å; L320-F342 HydrophobicContact CB-CD2 4.05Å; L320-F342 HydrophobicContact CB-CE1 3.51Å; L320-F342 HydrophobicContact CB-CE2 3.78Å; L320-F342 HydrophobicContact CB-CG 4.05Å; L320-F342 HydrophobicContact CB-CZ 3.49Å; L320-F342 VanDerWaalsContact CB-CZ 3.49Å; L320-F342 HydrophobicContact CD2-CD1 3.45Å; L320-F342 VanDerWaalsContact CD2-CD1 3.45Å; L320-F342 HydrophobicContact CD2-CE1 3.67Å; L320-F342 HydrophobicContact CD2-CG 4.16Å; L320-F342 HydrophobicContact CG-CD1 4.22Å; L320-F342 HydrophobicContact CG-CE1 4.25Å; V329-F342 WeakPolarHBondContact O-CZ 3.42Å; K332-F342 WeakPolarHBondContact O-CA 3.08Å; K332-F342 WeakPolarHBondContact O-CD2 3.36Å; F342-V350 HydrophobicContact CE1-CG1 4.21Å; F342-S351 CarbonylContact O-C 3.53Å; F342-S351 WeakPolarHBondContact O-CA 3.07Å; F342-S351 WeakPolarHBondContact O-CB 3.38Å; F342-I352 HydrophobicContact CB-CG2 3.86Å; F342-I352 PolarHBondContact N-O 3.02Å; F342-I352 PolarHBondContact O-N 3.47Å; F342-F389 HydrophobicContact CB-CE1 3.7Å; F342-F389 HydrophobicContact CB-CZ 4.26Å; F342-F389 HydrophobicContact CD2-CD1 4.31Å; F342-F389 AromaticContact CD2-CE1 3.97Å; F342-F389 HydrophobicContact CD2-CE1 3.97Å; F342-F389 HydrophobicContact CG-CE1 4.02Å
343A96.8Very high94.1Very high11 Ų1136.2 Ų36.29%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-127.1133.1169.400000110.4Q303 F304 G331 K332 F334Q303-A343 VanDerWaalsContact NE2-CB 3.25Å; F304-A343 HydrophobicContact CE1-CB 4.1Å; F304-A343 HydrophobicContact CZ-CB 3.77Å; G331-A343 CarbonylContact C-O 3.6Å; G331-A343 VanDerWaalsContact CA-O 3.23Å; G331-A343 WeakPolarHBondContact CA-O 3.48Å; K332-A343 PolarHBondContact N-O 2.92Å; K332-A343 PolarHBondContact O-N 3.25Å; F334-A343 HydrophobicContact CE2-CB 4.38Å
344S96.7Very high94.1Very high15 Ų1536.1 Ų36.111%0.10518%0.182CC..EExtended strand (participates in β ladder)trans-63.2151.5172.952.20000112T346 L349 V350S344-T346 VanDerWaalsContact C-N 3.29Å; S344-T346 WeakPolarHBondContact CB-O 3.4Å; S344-T346 PolarHBondContact O-N 2.66Å; S344-T346 PolarHBondContact OG-O 3.37Å; S344-L349 WeakPolarHBondContact OG-CB 3.44Å; S344-V350 WeakPolarHBondContact CB-O 3.44Å; S344-V350 PolarHBondContact N-O 2.9Å; S344-V350 PolarHBondContact OG-N 2.73Å; S344-V350 PolarHBondContact OG-O 2.95Å
345R93.8Very high94Very high185 Ų18535.5 Ų35.570%0.69818%0.179SC*.SBendtrans-62.8-37.3174.1-179.9177.1-72.3177.5-2.4112.2P330P330-R345 PolarHBondContact O-N 3.11Å
346T91Very high93.9Very high91 Ų9135.5 Ų35.556%0.55818%0.179SC*.SBendtrans-79.5126.5170.9-52.60000108.3S344 L349S344-T346 VanDerWaalsContact C-N 3.29Å; S344-T346 WeakPolarHBondContact CB-O 3.4Å; S344-T346 PolarHBondContact O-N 2.66Å; S344-T346 PolarHBondContact OG-O 3.37Å; T346-L349 HydrophobicContact CG2-CB 4.29Å; T346-L349 PolarHBondContact O-N 3.26Å
347E82.7Confident93.6Very high153 Ų15337 Ų3772%0.71519%0.187SC*.THydrogen-bonded Turntrans-56.8140.9178.5-156.6-169.6147.700111L349E347-L349 PolarHBondContact O-N 2.71Å
348R82.7Confident93.6Very high75 Ų7537.8 Ų37.828%0.28318%0.184SC..THydrogen-bonded Turntrans59.7-2.9178.8-62.9169-176.7-102.9-14.5117.3T479 V480 H483 E675R348-T479 CarbonylContact O-C 3.56Å; R348-V480 HydrophobicContact CB-CG2 4.32Å; R348-V480 VanDerWaalsContact O-CG2 3.24Å; R348-V480 WeakPolarHBondContact O-CG2 3.34Å; R348-V480 PolarHBondContact O-N 3.26Å; R348-H483 PolarHBondContact NH1-CD2 3.08Å; R348-H483 VanDerWaalsContact NH1-CD2 3.26Å; R348-H483 PolarHBondContact NH1-NE2 3.46Å; R348-E675 IonicContact CZ-OE1 3.21Å; R348-E675 VanDerWaalsContact CZ-OE1 3.24Å; R348-E675 IonicContact CZ-OE2 2.82Å; R348-E675 IonicContact NH1-OE1 3.44Å; R348-E675 PolarHBondContact NH1-OE1 3.12Å; R348-E675 IonicContact NH1-OE2 3.68Å; R348-E675 VanDerWaalsContact NH2-CD 3.25Å; R348-E675 IonicContact NH2-OE1 3.01Å; R348-E675 PolarHBondContact NH2-OE1 3.39Å; R348-E675 IonicContact NH2-OE2 3.12Å; R348-E675 PolarHBondContact NH2-OE2 2.64Å
349L92.3Very high93.6Very high75 Ų7535.6 Ų35.639%0.39317%0.172SC..THydrogen-bonded Turntrans-60.5-56.9-179175.165000111.3V329 S344 T346 E347V329-L349 HydrophobicContact CG1-CD2 3.67Å; V329-L349 HydrophobicContact CG1-CG 4.43Å; S344-L349 WeakPolarHBondContact OG-CB 3.44Å; T346-L349 HydrophobicContact CG2-CB 4.29Å; T346-L349 PolarHBondContact O-N 3.26Å; E347-L349 PolarHBondContact O-N 2.71Å
350V94.8Very high93.4Very high1 Ų138.7 Ų38.71%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-157.7136170.561.90000111L320 T322 V329 F342 S344 Y477 R478 T479L320-V350 HydrophobicContact CD2-CG1 4.3Å; L320-V350 HydrophobicContact CD2-CG2 4.19Å; T322-V350 HydrophobicContact CG2-CG1 4.32Å; T322-V350 HydrophobicContact CG2-CG2 4.41Å; V329-V350 HydrophobicContact CB-CG1 4.11Å; V329-V350 HydrophobicContact CG1-CG1 3.85Å; V329-V350 HydrophobicContact CG2-CG1 4.16Å; F342-V350 HydrophobicContact CE1-CG1 4.21Å; S344-V350 WeakPolarHBondContact CB-O 3.44Å; S344-V350 PolarHBondContact N-O 2.9Å; S344-V350 PolarHBondContact OG-N 2.73Å; S344-V350 PolarHBondContact OG-O 2.95Å; V350-Y477 HydrophobicContact CG2-CD1 3.84Å; V350-R478 CarbonylContact C-O 3.55Å; V350-R478 WeakPolarHBondContact CA-O 3.43Å; V350-T479 HydrophobicContact CG2-CG2 4.32Å
351S95.7Very high93.2Very high29 Ų2940.8 Ų40.820%0.20321%0.206CC..EExtended strand (participates in β ladder)trans-135.6154.8165.962.70000110.9F342 R478F342-S351 CarbonylContact O-C 3.53Å; F342-S351 WeakPolarHBondContact O-CA 3.07Å; F342-S351 WeakPolarHBondContact O-CB 3.38Å; S351-R478 PolarHBondContact N-O 3.08Å; S351-R478 PolarHBondContact O-N 3.3Å
352I95.2Very high93Very high0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-143.3141.9177.3-172.8171.7000109.4L320 C341 F342 V354 V387 C475 Y477L320-I352 HydrophobicContact CD2-CG2 4.11Å; C341-I352 WeakPolarHBondContact CA-O 3.41Å; F342-I352 HydrophobicContact CB-CG2 3.86Å; F342-I352 PolarHBondContact N-O 3.02Å; F342-I352 PolarHBondContact O-N 3.47Å; I352-V354 HydrophobicContact CD1-CG2 3.91Å; I352-V354 HydrophobicContact CG1-CG2 3.87Å; I352-V387 HydrophobicContact CD1-CG1 4.27Å; I352-V387 HydrophobicContact CD1-CG2 3.89Å; I352-C475 WeakPolarHBondContact CD1-O 3.44Å; I352-Y477 HydrophobicContact CD1-CD1 4.34Å; I352-Y477 HydrophobicContact CD1-CE1 4.06Å
353V95.6Very high92.7Very high4 Ų446.9 Ų46.92%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-118.6118.7174.1177.60000107.1F304 L306 F339F304-V353 HydrophobicContact CB-CG2 3.94Å; F304-V353 HydrophobicContact CD1-CG2 3.77Å; F304-V353 HydrophobicContact CG-CG2 4.23Å; L306-V353 HydrophobicContact CD2-CG1 3.84Å; F339-V353 HydrophobicContact CD1-CG1 3.78Å; F339-V353 HydrophobicContact CE1-CG1 4.17Å
354V95.8Very high92.2Very high0 Ų051.2 Ų51.20%025%0.253CS..EExtended strand (participates in β ladder)trans-116.5101.1-178.9-1740000108.6F339 V340 I352 L356 V359 L379 L381 V387F339-V354 WeakPolarHBondContact CA-O 3.14Å; V340-V354 HydrophobicContact CB-CB 4.42Å; V340-V354 PolarHBondContact N-O 3.14Å; V340-V354 WeakPolarHBondContact O-CA 3.25Å; V340-V354 VanDerWaalsContact O-CB 3.3Å; V340-V354 WeakPolarHBondContact O-CB 3.36Å; V340-V354 PolarHBondContact O-N 2.77Å; I352-V354 HydrophobicContact CD1-CG2 3.91Å; I352-V354 HydrophobicContact CG1-CG2 3.87Å; V354-L356 PolarHBondContact O-N 3.03Å; V354-V359 HydrophobicContact CG1-CG2 3.65Å; V354-L379 HydrophobicContact CG1-CD1 4.28Å; V354-L381 HydrophobicContact CG1-CD2 3.7Å; V354-V387 HydrophobicContact CG2-CG2 4.38Å
355P94.8Very high91.3Very high2 Ų252.7 Ų52.71%0.01326%0.263CS..EExtended strand (participates in β ladder)trans-61.5133.1169.7-19.432000109.9N338 F339 I357 E358 V474 A507N338-P355 CarbonylContact O-C 3.55Å; N338-P355 WeakPolarHBondContact O-CA 3.5Å; F339-P355 HydrophobicContact CD1-CB 4.28Å; F339-P355 HydrophobicContact CD1-CG 4.27Å; F339-P355 HydrophobicContact CE1-CB 4.16Å; F339-P355 HydrophobicContact CE1-CG 4.04Å; P355-I357 HydrophobicContact CB-CG2 3.8Å; P355-I357 PolarHBondContact O-N 2.85Å; P355-I357 VanDerWaalsContact O-N 3.16Å; P355-E358 HydrophobicContact CB-CG 4.3Å; P355-E358 HydrophobicContact CG-CG 4.38Å; P355-E358 WeakPolarHBondContact O-CB 3.03Å; P355-E358 PolarHBondContact O-N 3.11Å; P355-V474 HydrophobicContact CG-CB 4.16Å; P355-V474 HydrophobicContact CG-CG1 3.46Å; P355-V474 VanDerWaalsContact CG-CG1 3.46Å; P355-A507 HydrophobicContact CG-CB 4.04Å
356L94.1Very high89.8Confident9 Ų947.8 Ų47.85%0.04726%0.257CS..G310 helixtrans-64.6-20.4178.7-72178.2000112.6A337 N338 V340 V354 E358 V359 I402 F405 L406A337-L356 WeakPolarHBondContact O-CD1 3.25Å; N338-L356 PolarHBondContact O-N 3.17Å; V340-L356 HydrophobicContact CG2-CD2 3.72Å; V340-L356 HydrophobicContact CG2-CG 4.47Å; V354-L356 PolarHBondContact O-N 3.03Å; L356-E358 PolarHBondContact O-N 2.82Å; L356-V359 HydrophobicContact CD2-CG2 4.26Å; L356-V359 PolarHBondContact O-N 2.89Å; L356-I402 HydrophobicContact CD2-CG2 3.85Å; L356-F405 HydrophobicContact CD1-CB 3.63Å; L356-F405 HydrophobicContact CD1-CD2 4.42Å; L356-F405 HydrophobicContact CD1-CG 4.43Å; L356-L406 HydrophobicContact CB-CD2 4.05Å; L356-L406 HydrophobicContact CD2-CD2 3.97Å; L356-L406 HydrophobicContact CD2-CG 4.37Å; L356-L406 WeakPolarHBondContact O-CD2 3.41Å
357I90.6Very high88Confident33 Ų3348 Ų4817%0.16926%0.26CS..G310 helixtrans-64.7-23.5171.3-164.7168.5000112.9P355 R382 A510 L511P355-I357 HydrophobicContact CB-CG2 3.8Å; P355-I357 PolarHBondContact O-N 2.85Å; P355-I357 VanDerWaalsContact O-N 3.16Å; I357-R382 WeakPolarHBondContact O-CD 3.45Å; I357-A510 WeakPolarHBondContact CD1-O 3.3Å; I357-L511 HydrophobicContact CG2-CD2 4.45Å
358E91.7Very high86.5Confident56 Ų5647.4 Ų47.426%0.26227%0.267SS..G310 helixtrans-88.1-8.8175.8-65.2-57.2146.500113.3P355 L356 L381 R382P355-E358 HydrophobicContact CB-CG 4.3Å; P355-E358 HydrophobicContact CG-CG 4.38Å; P355-E358 WeakPolarHBondContact O-CB 3.03Å; P355-E358 PolarHBondContact O-N 3.11Å; L356-E358 PolarHBondContact O-N 2.82Å; E358-L381 CarbonylContact O-C 3.55Å; E358-L381 VanDerWaalsContact O-CA 3.23Å; E358-L381 WeakPolarHBondContact O-CA 3.34Å; E358-R382 WeakPolarHBondContact O-CG 3.19Å; E358-R382 PolarHBondContact O-N 3.49Å
359V94.1Very high84.8Confident7 Ų748.7 Ų48.74%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-92.4125.4-178.3179.40000110.1V354 L356 S361 L379 C380 L381 L406V354-V359 HydrophobicContact CG1-CG2 3.65Å; L356-V359 HydrophobicContact CD2-CG2 4.26Å; L356-V359 PolarHBondContact O-N 2.89Å; V359-S361 WeakPolarHBondContact CG1-O 3.4Å; V359-L379 HydrophobicContact CG1-CD2 4.35Å; V359-C380 CarbonylContact C-O 3.59Å; V359-C380 WeakPolarHBondContact CA-O 3.41Å; V359-L381 HydrophobicContact CG2-CD2 3.97Å; V359-L406 HydrophobicContact CB-CD2 3.83Å; V359-L406 HydrophobicContact CG1-CD1 3.91Å; V359-L406 HydrophobicContact CG1-CD2 3.98Å
360T92.1Very high82.6Confident66 Ų6651 Ų5141%0.40531%0.309SS..EExtended strand (participates in β ladder)trans-92-46.6-179.752.40000111.9C380 R382T360-C380 PolarHBondContact N-O 3.36Å; T360-C380 WeakPolarHBondContact OG1-CB 3.41Å; T360-C380 PolarHBondContact OG1-O 2.64Å; T360-C380 VanDerWaalsContact OG1-O 3.05Å; T360-R382 HydrophobicContact CG2-CB 4.31Å; T360-R382 HydrophobicContact CG2-CG 3.64Å
361S91.7Very high80.3Confident44 Ų4455.8 Ų55.831%0.30834%0.343SS..EExtended strand (participates in β ladder)trans-144.816117663.30000111.4V359 C380V359-S361 WeakPolarHBondContact CG1-O 3.4Å; S361-C380 PolarHBondContact O-N 2.91Å; S361-C380 WeakPolarHBondContact OG-CB 3.48Å
362I93.4Very high78.2Confident27 Ų2763.7 Ų63.714%0.13838%0.377CS..EExtended strand (participates in β ladder)trans-127.4132.1173.6-174.1170.3000108.5I377 L378 L379 L399 I402 T403 L406I362-I377 HydrophobicContact CD1-CG2 3.59Å; I362-I377 HydrophobicContact CG1-CG2 3.69Å; I362-L378 WeakPolarHBondContact CA-O 3.43Å; I362-L379 HydrophobicContact CB-CD2 4.18Å; I362-L379 HydrophobicContact CD1-CD2 3.64Å; I362-L379 HydrophobicContact CG1-CD2 3.72Å; I362-L399 HydrophobicContact CB-CD1 4.4Å; I362-L399 HydrophobicContact CD1-CD1 3.63Å; I362-L399 HydrophobicContact CG1-CD1 3.5Å; I362-L399 VanDerWaalsContact CG1-CD1 3.5Å; I362-L399 HydrophobicContact CG2-CD1 4.17Å; I362-I402 HydrophobicContact CD1-CB 3.69Å; I362-I402 HydrophobicContact CD1-CD1 3.84Å; I362-I402 HydrophobicContact CD1-CG1 4.37Å; I362-I402 HydrophobicContact CD1-CG2 3.58Å; I362-T403 WeakPolarHBondContact CG2-OG1 3.4Å; I362-L406 HydrophobicContact CB-CD1 4.39Å; I362-L406 HydrophobicContact CG2-CD1 4.08Å
363E90.2Very high76Confident101 Ų10168.7 Ų68.747%0.47241%0.408SS..EExtended strand (participates in β ladder)trans-129.6154.5-172.3-65.2-179.6-165.800111.7L378E363-L378 HydrophobicContact CB-CB 4.38Å; E363-L378 HydrophobicContact CB-CD2 4.42Å; E363-L378 PolarHBondContact N-O 2.89Å; E363-L378 PolarHBondContact O-N 3.45Å
364E87.8Confident74.1Confident103 Ų10372.2 Ų72.248%0.48143%0.429SS..EExtended strand (participates in β ladder)trans-80128.4171-67.8-172.4-169.700110.6R395 L399E364-R395 VanDerWaalsContact CD-NH1 3.3Å; E364-R395 IonicContact OE1-CZ 3.66Å; E364-R395 IonicContact OE1-NH2 3.97Å; E364-R395 PolarHBondContact OE1-NH2 3.38Å; E364-R395 IonicContact OE2-CZ 3.77Å; E364-R395 IonicContact OE2-NH1 3.09Å; E364-R395 PolarHBondContact OE2-NH1 3.32Å; E364-R395 IonicContact OE2-NH2 3.26Å; E364-R395 PolarHBondContact OE2-NH2 3.35Å; E364-L399 HydrophobicContact CG-CD2 3.59Å
365C77.8Confident73Confident45 Ų4576.8 Ų76.830%0.30445%0.45SS..EExtended strand (participates in β ladder)trans-101.7113.4175.6-166.70000110G376 L378C365-G376 PolarHBondContact N-O 2.69Å; C365-G376 PolarHBondContact O-N 3.4Å; C365-G376 VanDerWaalsContact O-N 3.12Å; C365-L378 HydrophobicContact CB-CB 4.44Å
366S61.3Low72.5Confident83 Ų8376.9 Ų76.958%0.5845%0.452SS*.  trans-113.1138.8171.8-64.60000109.6V368S366-V368 PolarHBondContact O-N 3.49Å
367P54.7Low72.4Confident94 Ų9476.5 Ų76.561%0.6145%0.45SS*.  trans-68.7132.7-173.725.9-32000112S369P367-S369 PolarHBondContact O-N 3.06Å
368V51.2Low72.5Confident142 Ų14276.2 Ų76.286%0.86145%0.449SS*.SBendtrans-84104.2159.1-176.70000106.7S366S366-V368 PolarHBondContact O-N 3.49Å
369S45.4Very low72.7Confident102 Ų10273.6 Ų73.671%0.71344%0.436SS*.SBendtrans88.4143.4174.778.70000119.3P367 S371P367-S369 PolarHBondContact O-N 3.06Å; S369-S371 PolarHBondContact O-N 3.18Å
370S47.7Very low72.7Confident122 Ų12274.3 Ų74.385%0.85344%0.442SS*.SBendtrans-49.1107.1-163.149.30000118.5
371S46.2Very low72.8Confident102 Ų10271.5 Ų71.571%0.71342%0.424SS*.  trans-164.5141.7134.356.70000109.7S369 T373S369-S371 PolarHBondContact O-N 3.18Å; S371-T373 PolarHBondContact O-N 3.15Å; S371-T373 VanDerWaalsContact O-N 3.15Å
372Q51.4Low72.7Confident195 Ų19576.7 Ų76.791%0.91144%0.437SS*.  trans-70.7104.8-171.3-70173.7-13.300111.8
373T49Very low72.3Confident106 Ų10679.9 Ų79.965%0.6545%0.454SS*.  trans158.4137.1147.233.70000109.1S371S371-T373 PolarHBondContact O-N 3.15Å; S371-T373 VanDerWaalsContact O-N 3.15Å
374T55.6Low72.1Confident78 Ų7882.4 Ų82.448%0.47947%0.471SS..  cis179.6137.1-1413.90000104.9G376 A391T374-G376 PolarHBondContact O-N 2.93Å; T374-A391 PolarHBondContact O-N 3Å
375Q71.8Confident72.2Confident95 Ų9579.5 Ų79.544%0.44446%0.464SS..  trans17.499161.1-68.5-177.4-15.900116.9V392 R395Q375-V392 PolarHBondContact O-N 2.91Å; Q375-R395 HydrophobicContact CB-CB 3.91Å; Q375-R395 HydrophobicContact CB-CG 4.32Å
376G83.9Confident72.9Confident4 Ų480.7 Ų80.74%0.04147%0.47CS..EExtended strand (participates in β ladder)trans-112.9167177.800000114.3C365 T374 F389 R395C365-G376 PolarHBondContact N-O 2.69Å; C365-G376 PolarHBondContact O-N 3.4Å; C365-G376 VanDerWaalsContact O-N 3.12Å; T374-G376 PolarHBondContact O-N 2.93Å; G376-F389 CarbonylContact C-O 3.53Å; G376-F389 WeakPolarHBondContact CA-O 3.36Å; G376-R395 VanDerWaalsContact O-CD 3.28Å; G376-R395 WeakPolarHBondContact O-CD 3.29Å
377I92.6Very high74.5Confident1 Ų176.9 Ų76.91%0.00544%0.443CS..EExtended strand (participates in β ladder)trans-125.5134.2177.7-60.7176.6000108.2I362 L379 F389 V392 R395 V398 L399I362-I377 HydrophobicContact CD1-CG2 3.59Å; I362-I377 HydrophobicContact CG1-CG2 3.69Å; I377-L379 HydrophobicContact CG2-CD2 4.39Å; I377-F389 PolarHBondContact N-O 3.14Å; I377-F389 PolarHBondContact O-N 3Å; I377-V392 HydrophobicContact CD1-CG1 4.09Å; I377-V392 HydrophobicContact CD1-CG2 4.37Å; I377-V392 HydrophobicContact CG1-CG2 4.42Å; I377-R395 HydrophobicContact CD1-CG 4.12Å; I377-R395 HydrophobicContact CG1-CG 3.7Å; I377-V398 HydrophobicContact CD1-CB 3.89Å; I377-V398 HydrophobicContact CD1-CG1 3.63Å; I377-L399 HydrophobicContact CG2-CD1 4.45Å
378L93.8Very high76.4Confident28 Ų2874 Ų7415%0.14742%0.423CS..EExtended strand (participates in β ladder)trans-116.5127.5175.6-176.9153.3000109.3I362 E363 C365 C380 T386 I388I362-L378 WeakPolarHBondContact CA-O 3.43Å; E363-L378 HydrophobicContact CB-CB 4.38Å; E363-L378 HydrophobicContact CB-CD2 4.42Å; E363-L378 PolarHBondContact N-O 2.89Å; E363-L378 PolarHBondContact O-N 3.45Å; C365-L378 HydrophobicContact CB-CB 4.44Å; L378-C380 WeakPolarHBondContact CD2-SG 3.38Å; L378-T386 HydrophobicContact CD2-CG2 4.24Å; L378-I388 HydrophobicContact CD1-CD1 4.2Å; L378-I388 HydrophobicContact CD1-CG1 3.97Å; L378-I388 HydrophobicContact CG-CG1 4.09Å
379L95.2Very high78.5Confident0 Ų067.4 Ų67.40%038%0.382CS..EExtended strand (participates in β ladder)trans-101.8124.2171.7-56.1179000109.2V340 V354 V359 I362 I377 T386 V387 F389V340-L379 HydrophobicContact CB-CD1 4.31Å; V340-L379 HydrophobicContact CG1-CD1 4.08Å; V354-L379 HydrophobicContact CG1-CD1 4.28Å; V359-L379 HydrophobicContact CG1-CD2 4.35Å; I362-L379 HydrophobicContact CB-CD2 4.18Å; I362-L379 HydrophobicContact CD1-CD2 3.64Å; I362-L379 HydrophobicContact CG1-CD2 3.72Å; I377-L379 HydrophobicContact CG2-CD2 4.39Å; L379-T386 CarbonylContact O-C 3.5Å; L379-T386 VanDerWaalsContact O-CA 3.3Å; L379-T386 WeakPolarHBondContact O-CA 3.45Å; L379-V387 HydrophobicContact CB-CB 4.3Å; L379-V387 PolarHBondContact N-O 2.92Å; L379-V387 PolarHBondContact O-N 3.34Å; L379-F389 HydrophobicContact CD1-CE2 3.85Å; L379-F389 HydrophobicContact CG-CE2 4.36Å
380C94.3Very high80.7Confident23 Ų2363.5 Ų63.516%0.15536%0.355CS..EExtended strand (participates in β ladder)trans-92.1129169.8-65.30000109.2V359 T360 S361 L378V359-C380 CarbonylContact C-O 3.59Å; V359-C380 WeakPolarHBondContact CA-O 3.41Å; T360-C380 PolarHBondContact N-O 3.36Å; T360-C380 WeakPolarHBondContact OG1-CB 3.41Å; T360-C380 PolarHBondContact OG1-O 2.64Å; T360-C380 VanDerWaalsContact OG1-O 3.05Å; S361-C380 PolarHBondContact O-N 2.91Å; S361-C380 WeakPolarHBondContact OG-CB 3.48Å; L378-C380 WeakPolarHBondContact CD2-SG 3.38Å
381L93Very high82.7Confident7 Ų758.9 Ų58.94%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-100163.8-178.9-55.6-174.6000111.6V354 E358 V359 N383 D384 A385 V387 C475V354-L381 HydrophobicContact CG1-CD2 3.7Å; E358-L381 CarbonylContact O-C 3.55Å; E358-L381 VanDerWaalsContact O-CA 3.23Å; E358-L381 WeakPolarHBondContact O-CA 3.34Å; V359-L381 HydrophobicContact CG2-CD2 3.97Å; L381-N383 VanDerWaalsContact CB-OD1 3.26Å; L381-N383 WeakPolarHBondContact CB-OD1 3.35Å; L381-N383 PolarHBondContact O-N 3.4Å; L381-D384 PolarHBondContact O-N 3.07Å; L381-D384 VanDerWaalsContact O-N 3.17Å; L381-A385 WeakPolarHBondContact CB-O 3.19Å; L381-A385 HydrophobicContact CD1-CB 4.26Å; L381-A385 WeakPolarHBondContact CG-O 3.5Å; L381-A385 PolarHBondContact N-O 3.2Å; L381-V387 HydrophobicContact CD1-CG2 4.02Å; L381-V387 HydrophobicContact CG-CG2 4.48Å; L381-C475 HydrophobicContact CD1-CB 3.86Å
382R89.7Confident84.8Confident152 Ų15254.2 Ų54.257%0.57429%0.291SS*.THydrogen-bonded Turntrans-64.4-21.4179.1-71.1-179.276.4160.91.8114.7I357 E358 T360 D384I357-R382 WeakPolarHBondContact O-CD 3.45Å; E358-R382 WeakPolarHBondContact O-CG 3.19Å; E358-R382 PolarHBondContact O-N 3.49Å; T360-R382 HydrophobicContact CG2-CB 4.31Å; T360-R382 HydrophobicContact CG2-CG 3.64Å; R382-D384 VanDerWaalsContact C-N 3.3Å
383N86.6Confident86.6Confident95 Ų9547.8 Ų47.851%0.50827%0.267SS..THydrogen-bonded Turntrans-94.419.6177.266.7-10.8000112.6L381 A385L381-N383 VanDerWaalsContact CB-OD1 3.26Å; L381-N383 WeakPolarHBondContact CB-OD1 3.35Å; L381-N383 PolarHBondContact O-N 3.4Å; N383-A385 PolarHBondContact O-N 2.82Å; N383-A385 WeakPolarHBondContact OD1-CB 3.25Å; N383-A385 PolarHBondContact OD1-N 3.24Å; N383-A385 VanDerWaalsContact OD1-N 3.16Å
384D86.4Confident88.3Confident154 Ų15448 Ų4882%0.82426%0.264SS*.SBendtrans627.3-176.2-55.4-40.9000115.1L381 R382L381-D384 PolarHBondContact O-N 3.07Å; L381-D384 VanDerWaalsContact O-N 3.17Å; R382-D384 VanDerWaalsContact C-N 3.3Å
385A89.4Confident89.9Confident41 Ų4145.4 Ų45.434%0.33925%0.245SC..  trans-77153.8172.100000111.2L381 N383L381-A385 WeakPolarHBondContact CB-O 3.19Å; L381-A385 HydrophobicContact CD1-CB 4.26Å; L381-A385 WeakPolarHBondContact CG-O 3.5Å; L381-A385 PolarHBondContact N-O 3.2Å; N383-A385 PolarHBondContact O-N 2.82Å; N383-A385 WeakPolarHBondContact OD1-CB 3.25Å; N383-A385 PolarHBondContact OD1-N 3.24Å; N383-A385 VanDerWaalsContact OD1-N 3.16Å
386T92.4Very high90.7Very high70 Ų7044.6 Ų44.643%0.42924%0.244SC..EExtended strand (participates in β ladder)trans-121.6136.6179.360.20000111.6L378 L379L378-T386 HydrophobicContact CD2-CG2 4.24Å; L379-T386 CarbonylContact O-C 3.5Å; L379-T386 VanDerWaalsContact O-CA 3.3Å; L379-T386 WeakPolarHBondContact O-CA 3.45Å
387V94.6Very high91Very high3 Ų352.1 Ų52.12%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-112.7123.5171.9-175.60000108.8L320 I352 V354 L379 L381 F389L320-V387 HydrophobicContact CD1-CG1 3.79Å; I352-V387 HydrophobicContact CD1-CG1 4.27Å; I352-V387 HydrophobicContact CD1-CG2 3.89Å; V354-V387 HydrophobicContact CG2-CG2 4.38Å; L379-V387 HydrophobicContact CB-CB 4.3Å; L379-V387 PolarHBondContact N-O 2.92Å; L379-V387 PolarHBondContact O-N 3.34Å; L381-V387 HydrophobicContact CD1-CG2 4.02Å; L381-V387 HydrophobicContact CG-CG2 4.48Å; V387-F389 HydrophobicContact CG1-CE1 4.45Å; V387-F389 HydrophobicContact CG1-CE2 3.73Å; V387-F389 HydrophobicContact CG1-CZ 3.7Å
388I94.2Very high90.9Very high35 Ų3552.8 Ų52.818%0.17928%0.275CS..EExtended strand (participates in β ladder)trans-115.5122.4-172.7-56.8170.1000110.2F321 L378F321-I388 HydrophobicContact CB-CB 3.96Å; F321-I388 HydrophobicContact CB-CG2 4.28Å; F321-I388 HydrophobicContact CD1-CD1 4.2Å; F321-I388 PolarHBondContact N-O 3.14Å; L378-I388 HydrophobicContact CD1-CD1 4.2Å; L378-I388 HydrophobicContact CD1-CG1 3.97Å; L378-I388 HydrophobicContact CG-CG1 4.09Å
389F94.8Very high90.8Very high2 Ų252.5 Ų52.51%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-106.4140.4170.1-58.6-75.8000110.2R319 L320 L333 V340 F342 G376 I377 L379 V387 V392R319-F389 CarbonylContact O-C 3.57Å; R319-F389 WeakPolarHBondContact O-CA 2.99Å; L320-F389 HydrophobicContact CB-CD1 4.45Å; L320-F389 HydrophobicContact CB-CE1 4.4Å; L320-F389 HydrophobicContact CD1-CD1 4.1Å; L320-F389 HydrophobicContact CD1-CE1 3.67Å; L320-F389 HydrophobicContact CD1-CZ 4.21Å; L333-F389 HydrophobicContact CD1-CD1 4.08Å; L333-F389 HydrophobicContact CD1-CD2 4.25Å; L333-F389 HydrophobicContact CD1-CE1 3.79Å; L333-F389 HydrophobicContact CD1-CE2 3.95Å; L333-F389 HydrophobicContact CD1-CG 4.29Å; L333-F389 HydrophobicContact CD1-CZ 3.71Å; V340-F389 HydrophobicContact CG1-CE2 4.19Å; V340-F389 HydrophobicContact CG1-CZ 4.38Å; F342-F389 HydrophobicContact CB-CE1 3.7Å; F342-F389 HydrophobicContact CB-CZ 4.26Å; F342-F389 HydrophobicContact CD2-CD1 4.31Å; F342-F389 AromaticContact CD2-CE1 3.97Å; F342-F389 HydrophobicContact CD2-CE1 3.97Å; F342-F389 HydrophobicContact CG-CE1 4.02Å; G376-F389 CarbonylContact C-O 3.53Å; G376-F389 WeakPolarHBondContact CA-O 3.36Å; I377-F389 PolarHBondContact N-O 3.14Å; I377-F389 PolarHBondContact O-N 3Å; L379-F389 HydrophobicContact CD1-CE2 3.85Å; L379-F389 HydrophobicContact CG-CE2 4.36Å; V387-F389 HydrophobicContact CG1-CE1 4.45Å; V387-F389 HydrophobicContact CG1-CE2 3.73Å; V387-F389 HydrophobicContact CG1-CZ 3.7Å; F389-V392 HydrophobicContact CB-CG2 3.93Å
390S92.6Very high90.6Very high21 Ų2155.8 Ų55.815%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-134.3158-175.855.30000110.5R319 H328 V392R319-S390 WeakPolarHBondContact CB-OG 3.39Å; R319-S390 PolarHBondContact N-O 3.2Å; R319-S390 PolarHBondContact O-N 3.4Å; R319-S390 PolarHBondContact O-OG 3.33Å; R319-S390 VanDerWaalsContact O-OG 3.04Å; H328-S390 PolarHBondContact CE1-OG 3.29Å; H328-S390 PolarHBondContact ND1-OG 3.25Å; S390-V392 VanDerWaalsContact C-N 3.29Å; S390-V392 PolarHBondContact O-N 3.44Å
391A89.8Confident90.5Very high24 Ų2457.8 Ų57.820%0.19830%0.303CS..SBendtrans52.148.4-175.600000112T374 P393T374-A391 PolarHBondContact O-N 3Å; A391-P393 WeakPolarHBondContact O-CD 3.34Å
392V90.5Very high90.5Very high4 Ų457.5 Ų57.52%0.02430%0.302CS..  trans-87114.3178.9-176.90000108.8T316 C318 Q375 I377 F389 S390 R395 V398T316-V392 HydrophobicContact CG2-CG1 4Å; C318-V392 HydrophobicContact CB-CG2 4Å; Q375-V392 PolarHBondContact O-N 2.91Å; I377-V392 HydrophobicContact CD1-CG1 4.09Å; I377-V392 HydrophobicContact CD1-CG2 4.37Å; I377-V392 HydrophobicContact CG1-CG2 4.42Å; F389-V392 HydrophobicContact CB-CG2 3.93Å; S390-V392 VanDerWaalsContact C-N 3.29Å; S390-V392 PolarHBondContact O-N 3.44Å; V392-R395 PolarHBondContact O-N 3.07Å; V392-V398 HydrophobicContact CG1-CB 4.34Å; V392-V398 HydrophobicContact CG1-CG2 4.02Å
393P88.1Confident90.8Very high61 Ų6152.5 Ų52.540%0.39629%0.288SS..THydrogen-bonded Turntrans-60.3139.2172.4-20.531.4000110.7T316 Q317 A391 R395T316-P393 WeakPolarHBondContact OG1-CD 3.25Å; T316-P393 WeakPolarHBondContact OG1-CG 3.5Å; Q317-P393 WeakPolarHBondContact O-CD 3.4Å; A391-P393 WeakPolarHBondContact O-CD 3.34Å; P393-R395 PolarHBondContact O-N 3.17Å
394D84.4Confident91.1Very high111 Ų11151.9 Ų51.959%0.59429%0.287SS*.THydrogen-bonded Turntrans49.844.4-178-56-33.7000112.8D396 R397 V398D394-D396 PolarHBondContact O-N 3.12Å; D394-D396 VanDerWaalsContact O-N 3.08Å; D394-R397 HydrophobicContact CB-CB 4.24Å; D394-R397 WeakPolarHBondContact O-CB 3.44Å; D394-R397 PolarHBondContact O-N 2.94Å; D394-V398 PolarHBondContact O-N 2.66Å
395R89.6Confident91.4Very high22 Ų2246 Ų468%0.08325%0.254CS..Hα-helixtrans-42-48-177.1-179.4-154.858170.17.7112.6E364 Q375 G376 I377 V392 P393 R397 V398 L399E364-R395 VanDerWaalsContact CD-NH1 3.3Å; E364-R395 IonicContact OE1-CZ 3.66Å; E364-R395 IonicContact OE1-NH2 3.97Å; E364-R395 PolarHBondContact OE1-NH2 3.38Å; E364-R395 IonicContact OE2-CZ 3.77Å; E364-R395 IonicContact OE2-NH1 3.09Å; E364-R395 PolarHBondContact OE2-NH1 3.32Å; E364-R395 IonicContact OE2-NH2 3.26Å; E364-R395 PolarHBondContact OE2-NH2 3.35Å; Q375-R395 HydrophobicContact CB-CB 3.91Å; Q375-R395 HydrophobicContact CB-CG 4.32Å; G376-R395 VanDerWaalsContact O-CD 3.28Å; G376-R395 WeakPolarHBondContact O-CD 3.29Å; I377-R395 HydrophobicContact CD1-CG 4.12Å; I377-R395 HydrophobicContact CG1-CG 3.7Å; V392-R395 PolarHBondContact O-N 3.07Å; P393-R395 PolarHBondContact O-N 3.17Å; R395-R397 VanDerWaalsContact C-N 3.26Å; R395-R397 PolarHBondContact O-N 3.31Å; R395-V398 PolarHBondContact O-N 2.91Å; R395-V398 VanDerWaalsContact O-N 3.12Å; R395-L399 VanDerWaalsContact O-CB 3.28Å; R395-L399 WeakPolarHBondContact O-CB 3.5Å; R395-L399 PolarHBondContact O-N 3.24Å
396D89.3Confident91.5Very high78 Ų7844.6 Ų44.642%0.41724%0.241SC..Hα-helixtrans-62.9-34.6-174.4-56.1-25.5000111.9D394 S400D394-D396 PolarHBondContact O-N 3.12Å; D394-D396 VanDerWaalsContact O-N 3.08Å; D396-S400 VanDerWaalsContact O-CB 3.26Å; D396-S400 WeakPolarHBondContact O-CB 3.45Å; D396-S400 PolarHBondContact O-N 3.43Å; D396-S400 PolarHBondContact O-OG 3.44Å
397R89.4Confident91.3Very high163 Ų16346.5 Ų46.562%0.61525%0.245SC*.Hα-helixtrans-69.3-43.6175.4-169.4178.475.6134.20.8111.2D394 R395 K401D394-R397 HydrophobicContact CB-CB 4.24Å; D394-R397 WeakPolarHBondContact O-CB 3.44Å; D394-R397 PolarHBondContact O-N 2.94Å; R395-R397 VanDerWaalsContact C-N 3.26Å; R395-R397 PolarHBondContact O-N 3.31Å; R397-K401 VanDerWaalsContact O-CB 3.29Å; R397-K401 WeakPolarHBondContact O-CB 3.42Å; R397-K401 PolarHBondContact O-N 3.05Å; R397-K401 VanDerWaalsContact O-N 3.12Å
398V91.3Very high91Very high15 Ų1553.2 Ų53.29%0.09127%0.27CS..Hα-helixtrans-64.9-46.7177.8179.50000110.4T316 L333 V335 I377 V392 D394 R395 K401 I402T316-V398 HydrophobicContact CG2-CG2 4.35Å; L333-V398 HydrophobicContact CD2-CG1 3.94Å; V335-V398 HydrophobicContact CG2-CG1 4.3Å; I377-V398 HydrophobicContact CD1-CB 3.89Å; I377-V398 HydrophobicContact CD1-CG1 3.63Å; V392-V398 HydrophobicContact CG1-CB 4.34Å; V392-V398 HydrophobicContact CG1-CG2 4.02Å; D394-V398 PolarHBondContact O-N 2.66Å; R395-V398 PolarHBondContact O-N 2.91Å; R395-V398 VanDerWaalsContact O-N 3.12Å; V398-K401 PolarHBondContact O-N 3.38Å; V398-I402 HydrophobicContact CG1-CD1 3.93Å; V398-I402 WeakPolarHBondContact O-CG1 3.49Å; V398-I402 PolarHBondContact O-N 3.34Å
399L92.1Very high90.5Very high21 Ų2152.6 Ų52.611%0.1127%0.272CS..Hα-helixtrans-56.9-55177.3-176.672.2000111I362 E364 I377 R395 K401 I402 T403I362-L399 HydrophobicContact CB-CD1 4.4Å; I362-L399 HydrophobicContact CD1-CD1 3.63Å; I362-L399 HydrophobicContact CG1-CD1 3.5Å; I362-L399 VanDerWaalsContact CG1-CD1 3.5Å; I362-L399 HydrophobicContact CG2-CD1 4.17Å; E364-L399 HydrophobicContact CG-CD2 3.59Å; I377-L399 HydrophobicContact CG2-CD1 4.45Å; R395-L399 VanDerWaalsContact O-CB 3.28Å; R395-L399 WeakPolarHBondContact O-CB 3.5Å; R395-L399 PolarHBondContact O-N 3.24Å; L399-K401 PolarHBondContact O-N 3.2Å; L399-I402 PolarHBondContact O-N 2.9Å; L399-T403 PolarHBondContact O-N 3.25Å; L399-T403 PolarHBondContact O-OG1 2.69Å
400S91.3Very high90Very high70 Ų7057.5 Ų57.549%0.4929%0.293SS..Hα-helixtrans-55.2-39178.9-600000111.7D396 T403 V404D396-S400 VanDerWaalsContact O-CB 3.26Å; D396-S400 WeakPolarHBondContact O-CB 3.45Å; D396-S400 PolarHBondContact O-N 3.43Å; D396-S400 PolarHBondContact O-OG 3.44Å; S400-T403 PolarHBondContact O-N 2.69Å; S400-V404 VanDerWaalsContact O-CG2 3.32Å; S400-V404 WeakPolarHBondContact O-CG2 3.23Å; S400-V404 PolarHBondContact O-N 2.83Å
401K91.4Very high89.5Confident64 Ų6461 Ų6128%0.27831%0.31SS..Hα-helixtrans-71-44.6-177.2-162.1160.8-148.4-174.60113.2D313 R397 V398 L399 T403 V404 F405D313-K401 WeakPolarHBondContact OD1-CD 3.42Å; D313-K401 WeakPolarHBondContact OD1-CE 3.11Å; D313-K401 IonicContact OD1-NZ 3.44Å; D313-K401 PolarHBondContact OD1-NZ 3.18Å; D313-K401 WeakPolarHBondContact OD2-CE 3.45Å; D313-K401 IonicContact OD2-NZ 2.56Å; D313-K401 PolarHBondContact OD2-NZ 3.45Å; R397-K401 VanDerWaalsContact O-CB 3.29Å; R397-K401 WeakPolarHBondContact O-CB 3.42Å; R397-K401 PolarHBondContact O-N 3.05Å; R397-K401 VanDerWaalsContact O-N 3.12Å; V398-K401 PolarHBondContact O-N 3.38Å; L399-K401 PolarHBondContact O-N 3.2Å; K401-T403 VanDerWaalsContact C-N 3.31Å; K401-V404 PolarHBondContact O-N 3.32Å; K401-F405 HydrophobicContact CG-CD2 4.43Å; K401-F405 HydrophobicContact CG-CE2 3.82Å; K401-F405 HydrophobicContact CG-CZ 4.16Å; K401-F405 WeakPolarHBondContact O-CD2 3.37Å; K401-F405 PolarHBondContact O-N 3.39Å; K401-F405 VanDerWaalsContact O-N 3.13Å
402I93.8Very high89Confident2 Ų263.8 Ų63.81%0.0132%0.318CS..Hα-helixtrans-63.5-41.1174.8-64.1167.4000109.9V335 V340 L356 I362 V398 L399 V404 F405 L406V335-I402 HydrophobicContact CG1-CG1 3.81Å; V335-I402 HydrophobicContact CG2-CD1 4.23Å; V335-I402 HydrophobicContact CG2-CG1 4.34Å; V340-I402 HydrophobicContact CG2-CD1 3.95Å; V340-I402 HydrophobicContact CG2-CG1 4.15Å; V340-I402 HydrophobicContact CG2-CG2 4.47Å; L356-I402 HydrophobicContact CD2-CG2 3.85Å; I362-I402 HydrophobicContact CD1-CB 3.69Å; I362-I402 HydrophobicContact CD1-CD1 3.84Å; I362-I402 HydrophobicContact CD1-CG1 4.37Å; I362-I402 HydrophobicContact CD1-CG2 3.58Å; V398-I402 HydrophobicContact CG1-CD1 3.93Å; V398-I402 WeakPolarHBondContact O-CG1 3.49Å; V398-I402 PolarHBondContact O-N 3.34Å; L399-I402 PolarHBondContact O-N 2.9Å; I402-V404 PolarHBondContact O-N 2.71Å; I402-F405 PolarHBondContact O-N 3.06Å; I402-L406 HydrophobicContact CG2-CD1 4.03Å; I402-L406 HydrophobicContact CG2-CG 4.27Å; I402-L406 WeakPolarHBondContact O-CG 3.42Å; I402-L406 PolarHBondContact O-N 3.28Å
403T94.1Very high88.3Confident46 Ų4667.9 Ų67.928%0.28233%0.334SS..Hα-helixtrans-57.2-46.5175.2-57.90000112I362 L399 S400 K401 F405 L406 E407I362-T403 WeakPolarHBondContact CG2-OG1 3.4Å; L399-T403 PolarHBondContact O-N 3.25Å; L399-T403 PolarHBondContact O-OG1 2.69Å; S400-T403 PolarHBondContact O-N 2.69Å; K401-T403 VanDerWaalsContact C-N 3.31Å; T403-F405 VanDerWaalsContact C-N 3.32Å; T403-F405 PolarHBondContact O-N 3.49Å; T403-L406 PolarHBondContact O-N 2.88Å; T403-E407 WeakPolarHBondContact O-CG 3.29Å; T403-E407 PolarHBondContact O-N 2.99Å
404V92.7Very high87.9Confident82 Ų8269.7 Ų69.750%0.49734%0.343SS..Hα-helixtrans-59-42.5176.6167.70000111.6S400 K401 I402 E407 R408S400-V404 VanDerWaalsContact O-CG2 3.32Å; S400-V404 WeakPolarHBondContact O-CG2 3.23Å; S400-V404 PolarHBondContact O-N 2.83Å; K401-V404 PolarHBondContact O-N 3.32Å; I402-V404 PolarHBondContact O-N 2.71Å; V404-E407 PolarHBondContact O-N 3.03Å; V404-R408 WeakPolarHBondContact O-CB 3.44Å; V404-R408 PolarHBondContact O-N 2.89Å
405F93Very high87.6Confident30 Ų3070.1 Ų70.113%0.13234%0.343CS..Hα-helixtrans-66.5-39.7177-65.4-37.9000112.5D313 V335 S336 L356 K401 I402 T403 R408 G409D313-F405 HydrophobicContact CB-CZ 4.26Å; V335-F405 HydrophobicContact CG1-CD2 4.24Å; V335-F405 HydrophobicContact CG1-CE2 4.05Å; S336-F405 VanDerWaalsContact O-CD2 3.29Å; S336-F405 WeakPolarHBondContact O-CD2 3.3Å; S336-F405 WeakPolarHBondContact O-CE2 3.47Å; L356-F405 HydrophobicContact CD1-CB 3.63Å; L356-F405 HydrophobicContact CD1-CD2 4.42Å; L356-F405 HydrophobicContact CD1-CG 4.43Å; K401-F405 HydrophobicContact CG-CD2 4.43Å; K401-F405 HydrophobicContact CG-CE2 3.82Å; K401-F405 HydrophobicContact CG-CZ 4.16Å; K401-F405 WeakPolarHBondContact O-CD2 3.37Å; K401-F405 PolarHBondContact O-N 3.39Å; K401-F405 VanDerWaalsContact O-N 3.13Å; I402-F405 PolarHBondContact O-N 3.06Å; T403-F405 VanDerWaalsContact C-N 3.32Å; T403-F405 PolarHBondContact O-N 3.49Å; F405-R408 PolarHBondContact O-N 3.2Å; F405-G409 PolarHBondContact O-N 3.37Å
406L91.8Very high86.8Confident12 Ų1274.3 Ų74.36%0.06336%0.364CS..Hα-helixtrans-62.6-42.5175.1-70.3172.1000112.3L356 V359 I362 I402 T403 K410L356-L406 HydrophobicContact CB-CD2 4.05Å; L356-L406 HydrophobicContact CD2-CD2 3.97Å; L356-L406 HydrophobicContact CD2-CG 4.37Å; L356-L406 WeakPolarHBondContact O-CD2 3.41Å; V359-L406 HydrophobicContact CB-CD2 3.83Å; V359-L406 HydrophobicContact CG1-CD1 3.91Å; V359-L406 HydrophobicContact CG1-CD2 3.98Å; I362-L406 HydrophobicContact CB-CD1 4.39Å; I362-L406 HydrophobicContact CG2-CD1 4.08Å; I402-L406 HydrophobicContact CG2-CD1 4.03Å; I402-L406 HydrophobicContact CG2-CG 4.27Å; I402-L406 WeakPolarHBondContact O-CG 3.42Å; I402-L406 PolarHBondContact O-N 3.28Å; T403-L406 PolarHBondContact O-N 2.88Å; L406-K410 VanDerWaalsContact O-CG 3.32Å; L406-K410 WeakPolarHBondContact O-CG 3.32Å; L406-K410 PolarHBondContact O-N 3.43Å; L406-K410 VanDerWaalsContact O-N 3.11Å
407E89.4Confident86.1Confident110 Ų11077.4 Ų77.451%0.51437%0.374SS..Hα-helixtrans-64.8-46.1176.7-73.4179.8172.100111.6T403 V404 G409 K410 I411T403-E407 WeakPolarHBondContact O-CG 3.29Å; T403-E407 PolarHBondContact O-N 2.99Å; V404-E407 PolarHBondContact O-N 3.03Å; E407-G409 PolarHBondContact O-N 3.48Å; E407-K410 WeakPolarHBondContact O-CB 3.27Å; E407-K410 PolarHBondContact O-N 3.44Å; E407-K410 VanDerWaalsContact O-N 3.11Å; E407-I411 WeakPolarHBondContact O-CG1 3.3Å; E407-I411 PolarHBondContact O-N 3.39Å; E407-I411 VanDerWaalsContact O-N 3.09Å
408R87.8Confident85.4Confident145 Ų14572.5 Ų72.555%0.54737%0.368SS..Hα-helixtrans-57.9-47.2176.4-178177.2170.6-179.1-4111.9V404 F405 K410 I411 E412V404-R408 WeakPolarHBondContact O-CB 3.44Å; V404-R408 PolarHBondContact O-N 2.89Å; F405-R408 PolarHBondContact O-N 3.2Å; R408-K410 VanDerWaalsContact C-N 3.26Å; R408-K410 PolarHBondContact O-N 2.95Å; R408-I411 PolarHBondContact O-N 3.3Å; R408-I411 VanDerWaalsContact O-N 3.12Å; R408-E412 IonicContact CZ-OE1 2.83Å; R408-E412 IonicContact NE-OE1 2.77Å; R408-E412 PolarHBondContact NE-OE1 3.14Å; R408-E412 IonicContact NH2-OE1 2.83Å; R408-E412 PolarHBondContact NH2-OE1 3.34Å; R408-E412 PolarHBondContact O-N 2.59Å
409G82.8Confident84.6Confident21 Ų2178.7 Ų78.722%0.21639%0.394CS..Hα-helixtrans-65.7-24.9177.600000113.8F405 E407 R413F405-G409 PolarHBondContact O-N 3.37Å; E407-G409 PolarHBondContact O-N 3.48Å; G409-R413 WeakPolarHBondContact O-CG 3.5Å; G409-R413 PolarHBondContact O-N 3.32Å; G409-R413 PolarHBondContact O-NE 3.45Å
410K84.1Confident83.3Confident105 Ų10579.7 Ų79.746%0.45741%0.405SS..Hα-helixtrans-72-39.5171.4-73.3169.9-175.3177.20111.5L406 E407 R408 T414L406-K410 VanDerWaalsContact O-CG 3.32Å; L406-K410 WeakPolarHBondContact O-CG 3.32Å; L406-K410 PolarHBondContact O-N 3.43Å; L406-K410 VanDerWaalsContact O-N 3.11Å; E407-K410 WeakPolarHBondContact O-CB 3.27Å; E407-K410 PolarHBondContact O-N 3.44Å; E407-K410 VanDerWaalsContact O-N 3.11Å; R408-K410 VanDerWaalsContact C-N 3.26Å; R408-K410 PolarHBondContact O-N 2.95Å; K410-T414 PolarHBondContact O-N 3.02Å; K410-T414 PolarHBondContact O-OG1 2.9Å
411I82.4Confident82.2Confident96 Ų9680.5 Ų80.549%0.49240%0.404SS..Hα-helixtrans-65.5-50.6178.3-65.2166.3000110.5E407 R408 R413 T414 M415E407-I411 WeakPolarHBondContact O-CG1 3.3Å; E407-I411 PolarHBondContact O-N 3.39Å; E407-I411 VanDerWaalsContact O-N 3.09Å; R408-I411 PolarHBondContact O-N 3.3Å; R408-I411 VanDerWaalsContact O-N 3.12Å; I411-R413 PolarHBondContact O-N 3.39Å; I411-T414 WeakPolarHBondContact O-CB 3.38Å; I411-T414 PolarHBondContact O-N 2.86Å; I411-M415 HydrophobicContact CG2-CE 3.79Å; I411-M415 HydrophobicContact CG2-CG 4.5Å; I411-M415 HydrophobicContact CG2-SD 4.36Å; I411-M415 WeakPolarHBondContact O-CG 3.3Å; I411-M415 PolarHBondContact O-N 3.31Å
412E80Confident81.1Confident81 Ų8180.7 Ų80.738%0.37941%0.414SS..Hα-helixtrans-56.7-47-178.7-72.7170.8179.200111.3R408 T414 M415 E416R408-E412 IonicContact CZ-OE1 2.83Å; R408-E412 IonicContact NE-OE1 2.77Å; R408-E412 PolarHBondContact NE-OE1 3.14Å; R408-E412 IonicContact NH2-OE1 2.83Å; R408-E412 PolarHBondContact NH2-OE1 3.34Å; R408-E412 PolarHBondContact O-N 2.59Å; E412-T414 VanDerWaalsContact C-N 3.33Å; E412-T414 PolarHBondContact O-N 2.93Å; E412-M415 PolarHBondContact O-N 3.39Å; E412-E416 PolarHBondContact O-N 3.07Å
413R76.6Confident79.4Confident91 Ų9187.1 Ų87.134%0.34344%0.444SS..Hα-helixtrans-61.4-36.4175.3-74.5-178.3-74-176.3-6.6113.9G409 I411 K417G409-R413 WeakPolarHBondContact O-CG 3.5Å; G409-R413 PolarHBondContact O-N 3.32Å; G409-R413 PolarHBondContact O-NE 3.45Å; I411-R413 PolarHBondContact O-N 3.39Å; R413-K417 WeakPolarHBondContact O-CB 3.49Å; R413-K417 PolarHBondContact O-N 2.91Å
414T79.6Confident77.6Confident98 Ų9893.9 Ų93.960%0.60146%0.464SS*.Hα-helixtrans-69.1-38.7178.4-54.70000110.6K410 I411 E412 A418K410-T414 PolarHBondContact O-N 3.02Å; K410-T414 PolarHBondContact O-OG1 2.9Å; I411-T414 WeakPolarHBondContact O-CB 3.38Å; I411-T414 PolarHBondContact O-N 2.86Å; E412-T414 VanDerWaalsContact C-N 3.33Å; E412-T414 PolarHBondContact O-N 2.93Å; T414-A418 WeakPolarHBondContact O-CB 3.28Å; T414-A418 PolarHBondContact O-N 2.89Å
415M77.4Confident75.6Confident121 Ų12192.9 Ų92.960%0.59647%0.47SS*.Hα-helixtrans-67.2-43.1175.8-68.1-172.5174.800112.4I411 E412 A418 K419I411-M415 HydrophobicContact CG2-CE 3.79Å; I411-M415 HydrophobicContact CG2-CG 4.5Å; I411-M415 HydrophobicContact CG2-SD 4.36Å; I411-M415 WeakPolarHBondContact O-CG 3.3Å; I411-M415 PolarHBondContact O-N 3.31Å; E412-M415 PolarHBondContact O-N 3.39Å; M415-A418 PolarHBondContact O-N 2.64Å; M415-K419 PolarHBondContact O-N 3.19Å
416E71.9Confident73.7Confident109 Ų109101.8 Ų101.851%0.50950%0.503SS..Hα-helixtrans-61.9-44.5175.8-75.7176.6169.500111.9E412 A418 K419 A420E412-E416 PolarHBondContact O-N 3.07Å; E416-A418 VanDerWaalsContact C-N 3.31Å; E416-A418 PolarHBondContact O-N 3.47Å; E416-K419 PolarHBondContact O-N 3.02Å; E416-A420 PolarHBondContact O-N 3.04Å
417K75.4Confident71.5Confident143 Ų143104.1 Ų104.162%0.62252%0.52SS*.Hα-helixtrans-60-43175.3-169.5177.2179.4-177.60111.7R413 K419 A420 D421R413-K417 WeakPolarHBondContact O-CB 3.49Å; R413-K417 PolarHBondContact O-N 2.91Å; K417-K419 PolarHBondContact O-N 3.41Å; K417-A420 PolarHBondContact O-N 3.4Å; K417-D421 WeakPolarHBondContact O-CB 3.46Å; K417-D421 VanDerWaalsContact O-CG 3.29Å; K417-D421 PolarHBondContact O-N 3.49Å
418A74.2Confident69.3Low60 Ų60104 Ų10450%0.49653%0.531SS..Hα-helixtrans-64.4-37.3176.400000113T414 M415 E416 S422T414-A418 WeakPolarHBondContact O-CB 3.28Å; T414-A418 PolarHBondContact O-N 2.89Å; M415-A418 PolarHBondContact O-N 2.64Å; E416-A418 VanDerWaalsContact C-N 3.31Å; E416-A418 PolarHBondContact O-N 3.47Å; A418-S422 WeakPolarHBondContact O-CB 3.09Å; A418-S422 PolarHBondContact O-N 2.81Å
419K73.9Confident67.1Low145 Ų145103.7 Ų103.763%0.6355%0.545SS*.Hα-helixtrans-64.2-48.6173-76.8-178.9178.6179.60111.5M415 E416 K417 D421 S422 E423M415-K419 PolarHBondContact O-N 3.19Å; E416-K419 PolarHBondContact O-N 3.02Å; K417-K419 PolarHBondContact O-N 3.41Å; K419-D421 VanDerWaalsContact C-N 3.32Å; K419-D421 PolarHBondContact O-N 3.12Å; K419-S422 PolarHBondContact O-N 3.16Å; K419-S422 VanDerWaalsContact O-N 3.15Å; K419-E423 PolarHBondContact O-N 2.87Å
420A65.8Low65.2Low43 Ų43105.5 Ų105.536%0.35556%0.555SS.*Hα-helixtrans-61.2-40178.800000112.3E416 K417 E423 R424E416-A420 PolarHBondContact O-N 3.04Å; K417-A420 PolarHBondContact O-N 3.4Å; A420-E423 PolarHBondContact O-N 3.28Å; A420-R424 WeakPolarHBondContact O-CB 3.11Å; A420-R424 WeakPolarHBondContact O-CG 3.48Å; A420-R424 PolarHBondContact O-N 2.96Å
421D68.7Low63.3Low86 Ų86106 Ų10646%0.4657%0.571SS.*Hα-helixtrans-68.4-36.2176-71.2-21.2000111.6K417 K419 G425K417-D421 WeakPolarHBondContact O-CB 3.46Å; K417-D421 VanDerWaalsContact O-CG 3.29Å; K417-D421 PolarHBondContact O-N 3.49Å; K419-D421 VanDerWaalsContact C-N 3.32Å; K419-D421 PolarHBondContact O-N 3.12Å; D421-G425 PolarHBondContact O-N 3.32Å; D421-G425 VanDerWaalsContact O-N 3.1Å
422S68.3Low61.6Low69 Ų69104.8 Ų104.848%0.48357%0.572SS.*Hα-helixtrans-69.4-34.8174.6-174.50000113.3A418 K419 G425 R426A418-S422 WeakPolarHBondContact O-CB 3.09Å; A418-S422 PolarHBondContact O-N 2.81Å; K419-S422 PolarHBondContact O-N 3.16Å; K419-S422 VanDerWaalsContact O-N 3.15Å; S422-G425 PolarHBondContact O-N 2.84Å; S422-R426 PolarHBondContact O-N 3.31Å
423E58.2Low59.9Low137 Ų137104.6 Ų104.664%0.6458%0.579SS**Hα-helixtrans-74.1-38.9176.8-75.6177.617700111.5K419 A420 G425 R426 S427K419-E423 PolarHBondContact O-N 2.87Å; A420-E423 PolarHBondContact O-N 3.28Å; E423-G425 PolarHBondContact O-N 3.47Å; E423-R426 PolarHBondContact O-N 3.18Å; E423-R426 VanDerWaalsContact O-N 3.09Å; E423-S427 PolarHBondContact O-N 3.46Å; E423-S427 PolarHBondContact O-OG 3.01Å
424R56.5Low58.4Low188 Ų188103.6 Ų103.671%0.70959%0.586SS**Hα-helixtrans-61.1-30.8169.8-79175.4174175.3-2.2113A420 R426A420-R424 WeakPolarHBondContact O-CB 3.11Å; A420-R424 WeakPolarHBondContact O-CG 3.48Å; A420-R424 PolarHBondContact O-N 2.96Å; R424-R426 VanDerWaalsContact C-N 3.31Å
425G50.5Low57.2Low60 Ų60102.5 Ų102.562%0.61958%0.583SS**THydrogen-bonded Turntrans-72.2-18.4174.400000114.8D421 S422 E423D421-G425 PolarHBondContact O-N 3.32Å; D421-G425 VanDerWaalsContact O-N 3.1Å; S422-G425 PolarHBondContact O-N 2.84Å; E423-G425 PolarHBondContact O-N 3.47Å
426R53Low56.1Low218 Ų21899.4 Ų99.482%0.82357%0.566SS**THydrogen-bonded Turntrans-100.1-16.8177.5-82.5178.7172.8161.7-2.5113.9S422 E423 R424S422-R426 PolarHBondContact O-N 3.31Å; E423-R426 PolarHBondContact O-N 3.18Å; E423-R426 VanDerWaalsContact O-N 3.09Å; R424-R426 VanDerWaalsContact C-N 3.31Å
427S45.5Very low55.2Low60 Ų6098.7 Ų98.742%0.4257%0.566SS.*  trans-101.128.1-174.662.20000115E423 T429E423-S427 PolarHBondContact O-N 3.46Å; E423-S427 PolarHBondContact O-OG 3.01Å; S427-T429 PolarHBondContact O-N 2.82Å
428S43.3Very low54.5Low109 Ų109100.8 Ų100.876%0.76258%0.575SS**THydrogen-bonded Turntrans-72.416.5176.561.50000115
429T42.2Very low54.3Low137 Ų137102.4 Ų102.484%0.8457%0.574SS**THydrogen-bonded Turntrans-129.312.8176.728.60000115.3S427S427-T429 PolarHBondContact O-N 2.82Å
430S42.6Very low54.7Low60 Ų6096.2 Ų96.242%0.4255%0.548SS..  trans-120.7100173.764.30000112.6S432S430-S432 PolarHBondContact O-N 3.26Å
431S42.7Very low55.5Low114 Ų11496.3 Ų96.380%0.79754%0.54SS*.THydrogen-bonded Turntrans-69.317.1169.253.80000114.2
432S47Very low56.3Low72 Ų7297.2 Ų97.250%0.50354%0.544SS..THydrogen-bonded Turntrans-90.3-23.5-175.851.30000114.2S430 S434 S435S430-S432 PolarHBondContact O-N 3.26Å; S432-S434 PolarHBondContact O-N 3.4Å; S432-S435 PolarHBondContact O-N 3.35Å
433S44.6Very low57.2Low76 Ų7696 Ų9653%0.53154%0.535SS..Hα-helixtrans-69.2-31.2-176.677.40000113.2S435 F436S433-S435 VanDerWaalsContact C-N 3.28Å; S433-S435 PolarHBondContact O-N 2.9Å; S433-F436 PolarHBondContact O-N 3.18Å
434S45.9Very low58.7Low70 Ų7090.6 Ų90.649%0.4951%0.512SS..Hα-helixtrans-72.4-15.8-177.662.30000114.8S432S432-S434 PolarHBondContact O-N 3.4Å
435S53.4Low60.3Low76 Ų7681.6 Ų81.653%0.53148%0.478SS..Hα-helixtrans-79-37.9175.3-780000111.4S432 S433 K438 L439S432-S435 PolarHBondContact O-N 3.35Å; S433-S435 VanDerWaalsContact C-N 3.28Å; S433-S435 PolarHBondContact O-N 2.9Å; S435-K438 PolarHBondContact O-N 2.73Å; S435-L439 WeakPolarHBondContact O-CD1 3.27Å
436F54.1Low62.1Low55 Ų5579.2 Ų79.224%0.24145%0.451CS..Hα-helixtrans-68.2-37.6-177.1-127.2-90.4000112.9S433 K438 L439 L520S433-F436 PolarHBondContact O-N 3.18Å; F436-K438 PolarHBondContact O-N 2.86Å; F436-L439 WeakPolarHBondContact O-CB 3.18Å; F436-L439 PolarHBondContact O-N 2.96Å; F436-L520 HydrophobicContact CE1-CB 4.37Å
437D54.6Low63.6Low95 Ų9575.3 Ų75.351%0.50844%0.442SS..THydrogen-bonded Turntrans-64.3-20177.4-72.6-29.8000113.3
438K60.8Low65.5Low186 Ų18677.6 Ų77.681%0.80944%0.444SS*.THydrogen-bonded Turntrans-84.6-12.4174.9-68.7-179.1-179.3176.40113.7S435 F436S435-K438 PolarHBondContact O-N 2.73Å; F436-K438 PolarHBondContact O-N 2.86Å
439L69.8Low67.4Low94 Ų9473.3 Ų73.349%0.49241%0.412SS..THydrogen-bonded Turntrans-91.1-23.9-176.7-85132.7000113.2S435 F436 R559S435-L439 WeakPolarHBondContact O-CD1 3.27Å; F436-L439 WeakPolarHBondContact O-CB 3.18Å; F436-L439 PolarHBondContact O-N 2.96Å; L439-R559 PolarHBondContact O-NH2 3.17Å
440I81.2Confident69.1Low15 Ų1571.7 Ų71.78%0.07740%0.404CS..SBendtrans-73.9133.1-178.5-61.6175.8000109.8D442 R517 E590I440-D442 PolarHBondContact O-N 3.43Å; I440-R517 HydrophobicContact CD1-CG 3.76Å; I440-E590 HydrophobicContact CG2-CB 4.18Å
441W82.1Confident70.5Confident46 Ų4670 Ų7017%0.17439%0.389CS..  trans-85.1108.4-177.9-164.2-89.9000111.6C443 L445 K448 P552 A556 E590W441-C443 PolarHBondContact NE1-O 2.75Å; W441-L445 HydrophobicContact CD2-CD2 3.92Å; W441-L445 VanDerWaalsContact CE2-CD2 3.45Å; W441-L445 HydrophobicContact CG-CD2 4.22Å; W441-L445 HydrophobicContact CZ2-CD2 3.83Å; W441-K448 HydrophobicContact CH2-CD 3.46Å; W441-K448 VanDerWaalsContact CH2-CD 3.46Å; W441-K448 HydrophobicContact CZ2-CB 4.3Å; W441-K448 HydrophobicContact CZ2-CD 3.71Å; W441-P552 HydrophobicContact CE3-CB 4.15Å; W441-P552 HydrophobicContact CH2-CB 4.46Å; W441-P552 HydrophobicContact CZ3-CB 3.72Å; W441-A556 HydrophobicContact CB-CB 4.47Å; W441-E590 HydrophobicContact CB-CB 4.16Å; W441-E590 WeakPolarHBondContact CB-OE2 3.34Å; W441-E590 PolarHBondContact N-OE2 3.46Å; W441-E590 WeakPolarHBondContact O-CB 2.89Å; W441-E590 PolarHBondContact O-N 3.32Å
442D85.6Confident71.7Confident105 Ų10566.9 Ų66.956%0.56137%0.374SS*.  trans-93.71.8-167.5-76-24000115.8I440 K589I440-D442 PolarHBondContact O-N 3.43Å; D442-K589 VanDerWaalsContact O-CD 3.3Å; D442-K589 WeakPolarHBondContact O-CD 2.82Å; D442-K589 VanDerWaalsContact O-CE 3.31Å; D442-K589 WeakPolarHBondContact O-CE 3.46Å; D442-K589 WeakPolarHBondContact O-CG 3.3Å
443C88.1Confident72.5Confident43 Ų4367 Ų6729%0.29138%0.38SS..SBendtrans-133.5158.9174.763.60000111.5W441 L445W441-C443 PolarHBondContact NE1-O 2.75Å; C443-L445 PolarHBondContact O-N 3.39Å
444P90.3Very high73.9Confident23 Ų2366.5 Ų66.515%0.14937%0.371CS..  trans-57.1135.9172.4-25.334.9000112.6I446 E447 L586 T588P444-I446 HydrophobicContact CB-CG2 4.21Å; P444-I446 PolarHBondContact O-N 2.85Å; P444-I446 VanDerWaalsContact O-N 3.15Å; P444-E447 HydrophobicContact CB-CG 4.35Å; P444-E447 WeakPolarHBondContact CD-OE1 3.31Å; P444-E447 WeakPolarHBondContact O-CB 3.33Å; P444-E447 PolarHBondContact O-N 3.26Å; P444-E447 VanDerWaalsContact O-N 3.11Å; P444-L586 WeakPolarHBondContact CB-O 3.45Å; P444-T588 WeakPolarHBondContact CA-O 3.18Å
445L89.6Confident75.3Confident0 Ų064.4 Ų64.40%036%0.358CS..Hα-helixtrans-60.1-28.5-179.3-73.4171.4000112.5W441 C443 E447 K448 Y449 A547 F548 L585 L586W441-L445 HydrophobicContact CD2-CD2 3.92Å; W441-L445 VanDerWaalsContact CE2-CD2 3.45Å; W441-L445 HydrophobicContact CG-CD2 4.22Å; W441-L445 HydrophobicContact CZ2-CD2 3.83Å; C443-L445 PolarHBondContact O-N 3.39Å; L445-E447 PolarHBondContact O-N 3.5Å; L445-K448 PolarHBondContact O-N 3.33Å; L445-K448 VanDerWaalsContact O-N 3.15Å; L445-Y449 HydrophobicContact CD2-CE2 4.47Å; L445-Y449 WeakPolarHBondContact O-CD2 3.48Å; L445-Y449 PolarHBondContact O-N 2.74Å; L445-A547 HydrophobicContact CB-CB 4.24Å; L445-A547 HydrophobicContact CD1-CB 4.16Å; L445-F548 HydrophobicContact CD1-CE1 4.13Å; L445-F548 HydrophobicContact CD1-CZ 3.85Å; L445-L585 WeakPolarHBondContact CB-O 3.31Å; L445-L585 HydrophobicContact CD1-CB 3.77Å; L445-L585 WeakPolarHBondContact CG-O 3.19Å; L445-L585 PolarHBondContact N-O 3.43Å; L445-L585 VanDerWaalsContact N-O 3.13Å; L445-L586 HydrophobicContact CB-CD2 4.02Å; L445-L586 PolarHBondContact N-O 3.33Å
446I87.4Confident76.6Confident9 Ų964.5 Ų64.55%0.04636%0.358CS..Hα-helixtrans-66.5-21.2180-156.8151.3000113.6P444 K448 Y449 P450 L492 L586 F587P444-I446 HydrophobicContact CB-CG2 4.21Å; P444-I446 PolarHBondContact O-N 2.85Å; P444-I446 VanDerWaalsContact O-N 3.15Å; I446-K448 VanDerWaalsContact C-N 3.3Å; I446-K448 PolarHBondContact O-N 3.06Å; I446-Y449 CarbonylContact O-C 3.6Å; I446-P450 WeakPolarHBondContact O-CA 3.25Å; I446-P450 VanDerWaalsContact O-N 3.15Å; I446-L492 HydrophobicContact CD1-CD1 3.74Å; I446-L492 HydrophobicContact CD1-CD2 4.42Å; I446-L492 HydrophobicContact CG1-CD2 4.39Å; I446-L492 HydrophobicContact CG2-CG 4.5Å; I446-L586 WeakPolarHBondContact CB-O 3.4Å; I446-L586 WeakPolarHBondContact CG2-O 3.33Å; I446-L586 PolarHBondContact N-O 2.89Å; I446-F587 HydrophobicContact CD1-CD1 4.18Å; I446-F587 HydrophobicContact CD1-CE1 3.54Å; I446-F587 HydrophobicContact CD1-CZ 4.15Å; I446-F587 HydrophobicContact CG2-CD1 4.45Å
447E86Confident77.9Confident137 Ų13767.3 Ų67.364%0.6438%0.376SS*.Hα-helixtrans-67.5-34.7174.3-67.3-175.7-175.800111.5P444 L445P444-E447 HydrophobicContact CB-CG 4.35Å; P444-E447 WeakPolarHBondContact CD-OE1 3.31Å; P444-E447 WeakPolarHBondContact O-CB 3.33Å; P444-E447 PolarHBondContact O-N 3.26Å; P444-E447 VanDerWaalsContact O-N 3.11Å; L445-E447 PolarHBondContact O-N 3.5Å
448K84.3Confident79.5Confident108 Ų10869.6 Ų69.647%0.4738%0.382SS..Hα-helixtrans-89-33.5177.3-173.6176.9176.4-164.90112.4W441 L445 I446 P450W441-K448 HydrophobicContact CH2-CD 3.46Å; W441-K448 VanDerWaalsContact CH2-CD 3.46Å; W441-K448 HydrophobicContact CZ2-CB 4.3Å; W441-K448 HydrophobicContact CZ2-CD 3.71Å; L445-K448 PolarHBondContact O-N 3.33Å; L445-K448 VanDerWaalsContact O-N 3.15Å; I446-K448 VanDerWaalsContact C-N 3.3Å; I446-K448 PolarHBondContact O-N 3.06Å; K448-P450 VanDerWaalsContact C-CD 3.47Å; K448-P450 WeakPolarHBondContact O-CD 3.3Å
449Y83.5Confident80.7Confident19 Ų1961.3 Ų61.38%0.07535%0.347CS..SBendtrans-123.272.1-177.4-56.8-80.1000109.4L445 I446 F451 H545 P546 A547 Q550L445-Y449 HydrophobicContact CD2-CE2 4.47Å; L445-Y449 WeakPolarHBondContact O-CD2 3.48Å; L445-Y449 PolarHBondContact O-N 2.74Å; I446-Y449 CarbonylContact O-C 3.6Å; Y449-F451 PolarHBondContact O-N 3.1Å; Y449-H545 PolarHBondContact O-CE1 3.18Å; Y449-H545 PolarHBondContact O-NE2 3.35Å; Y449-P546 HydrophobicContact CD1-CB 4Å; Y449-A547 HydrophobicContact CD2-CB 3.57Å; Y449-A547 HydrophobicContact CE2-CB 4.15Å; Y449-A547 HydrophobicContact CG-CB 3.87Å; Y449-Q550 PolarHBondContact OH-OE1 3.21Å
450P78.8Confident81.7Confident103 Ų10361.6 Ų61.667%0.66934%0.341SS*.  trans-61.9134.9-176.823.9-33.3000111.3I446 K448I446-P450 WeakPolarHBondContact O-CA 3.25Å; I446-P450 VanDerWaalsContact O-N 3.15Å; K448-P450 VanDerWaalsContact C-CD 3.47Å; K448-P450 WeakPolarHBondContact O-CD 3.3Å
451F71.6Confident82.2Confident25 Ų2567.3 Ų67.311%0.1137%0.368CS..  trans-148.3138.5-177.3-166.7-85.7000110.1Y449 H545 F662Y449-F451 PolarHBondContact O-N 3.1Å; F451-H545 WeakPolarHBondContact CB-NE2 3.39Å; F451-H545 AromaticContact CD2-CD2 3.65Å; F451-H545 AromaticContact CG-CD2 3.46Å; F451-H545 VanDerWaalsContact CG-CD2 3.46Å; F451-H545 WeakPolarHBondContact CG-CD2 3.32Å; F451-H545 AromaticContact CG-NE2 3.78Å; F451-F662 AromaticContact CD1-CD1 3.65Å; F451-F662 HydrophobicContact CD1-CD1 3.65Å; F451-F662 AromaticContact CD1-CE1 3.71Å; F451-F662 HydrophobicContact CD1-CE1 3.71Å; F451-F662 HydrophobicContact CE1-CB 4.48Å; F451-F662 AromaticContact CE1-CD1 3.55Å; F451-F662 HydrophobicContact CE1-CD1 3.55Å; F451-F662 HydrophobicContact CE1-CE1 4.1Å; F451-F662 HydrophobicContact CE1-CG 4.21Å
452G66.9Low82.8Confident47 Ų4768.1 Ų68.149%0.48537%0.372SS..SBendtrans81.2176.9-178.100000114.3D663G452-D663 WeakPolarHBondContact CA-OD1 3.35Å
453A64.8Low83.3Confident76 Ų7663.1 Ų63.163%0.62835%0.346SS*.PPolyproline II helixtrans-92.8143.6175.500000111
454D73.3Confident83.6Confident65 Ų6565.4 Ų65.435%0.34836%0.355SS..PPolyproline II helixtrans-84.5162.4174.5-160.70.2000111.2L492 Q493D454-L492 HydrophobicContact CB-CB 4.49Å; D454-L492 WeakPolarHBondContact OD1-CB 3.38Å; D454-L492 PolarHBondContact OD1-N 3.09Å; D454-Q493 PolarHBondContact OD2-NE2 3.1Å; D454-Q493 PolarHBondContact OD2-OE1 3.05Å
455A75.6Confident83.9Confident26 Ų2670.8 Ų70.822%0.21538%0.376CS..PPolyproline II helixtrans-64.7147.817600000111.6C459 P491A455-C459 HydrophobicContact CB-CB 4.05Å; A455-P491 HydrophobicContact CB-CB 4.14Å; A455-P491 HydrophobicContact CB-CG 4.11Å
456S79.6Confident84.2Confident77 Ų7771 Ų7154%0.53838%0.377SS..PPolyproline II helixtrans-57.7152.6175.667.70000112.7K458 C459 R460S456-K458 PolarHBondContact O-N 2.78Å; S456-C459 WeakPolarHBondContact O-CA 3.48Å; S456-C459 VanDerWaalsContact O-CB 3.29Å; S456-C459 WeakPolarHBondContact O-CB 3.48Å; S456-C459 PolarHBondContact O-N 3.36Å; S456-C459 PolarHBondContact OG-N 3.34Å; S456-R460 PolarHBondContact O-N 2.95Å; S456-R460 VanDerWaalsContact O-N 3.07Å
457D83.3Confident84.5Confident114 Ų11471.5 Ų71.561%0.6138%0.379SS*.Hα-helixtrans-55.7-36.6177-66.9-36.2000112.4C459 R460 E461D457-C459 VanDerWaalsContact C-N 3.31Å; D457-C459 PolarHBondContact O-N 2.79Å; D457-R460 WeakPolarHBondContact O-CB 3.45Å; D457-R460 PolarHBondContact O-N 2.86Å; D457-R460 IonicContact OD1-NH1 3.23Å; D457-E461 WeakPolarHBondContact O-CG 3.21Å; D457-E461 PolarHBondContact O-N 3.12Å
458K86.8Confident84.9Confident144 Ų14473.2 Ų73.263%0.62639%0.387SS*.Hα-helixtrans-61.7-37.7174.7-174179.4-178.4-178.90112.6S456 K462S456-K458 PolarHBondContact O-N 2.78Å; K458-K462 WeakPolarHBondContact O-CG 3.27Å; K458-K462 PolarHBondContact O-N 3.19Å
459C87.1Confident85.3Confident11 Ų1172 Ų727%0.07438%0.383CS..Hα-helixtrans-66.7-46.1174.6-177.20000110.3A455 S456 D457 E461 K462 W463 G489A455-C459 HydrophobicContact CB-CB 4.05Å; S456-C459 WeakPolarHBondContact O-CA 3.48Å; S456-C459 VanDerWaalsContact O-CB 3.29Å; S456-C459 WeakPolarHBondContact O-CB 3.48Å; S456-C459 PolarHBondContact O-N 3.36Å; S456-C459 PolarHBondContact OG-N 3.34Å; D457-C459 VanDerWaalsContact C-N 3.31Å; D457-C459 PolarHBondContact O-N 2.79Å; C459-E461 VanDerWaalsContact C-N 3.34Å; C459-E461 PolarHBondContact O-N 3.26Å; C459-K462 WeakPolarHBondContact O-CB 3.49Å; C459-K462 PolarHBondContact O-N 2.93Å; C459-W463 PolarHBondContact O-N 3Å; C459-G489 PolarHBondContact SG-O 3.26Å
460R89.8Confident85.8Confident101 Ų10172.7 Ų72.738%0.38139%0.386SS..Hα-helixtrans-57.9-43.5176.9-68.2173.760.9-177.62.4112.6S456 D457 K462 W463 N464 P491S456-R460 PolarHBondContact O-N 2.95Å; S456-R460 VanDerWaalsContact O-N 3.07Å; D457-R460 WeakPolarHBondContact O-CB 3.45Å; D457-R460 PolarHBondContact O-N 2.86Å; D457-R460 IonicContact OD1-NH1 3.23Å; R460-K462 PolarHBondContact O-N 3.13Å; R460-W463 PolarHBondContact O-N 2.96Å; R460-N464 WeakPolarHBondContact O-CB 3.49Å; R460-N464 VanDerWaalsContact O-CG 3.27Å; R460-N464 PolarHBondContact O-N 3.39Å; R460-N464 PolarHBondContact O-ND2 3.03Å; R460-P491 HydrophobicContact CG-CB 3.92Å; R460-P491 HydrophobicContact CG-CG 3.86Å
461E92.8Very high86.3Confident135 Ų13569.2 Ų69.263%0.63137%0.369SS*.Hα-helixtrans-60.8-42.9176.4-75.8178.1179.200112.6D457 C459 N464 K465D457-E461 WeakPolarHBondContact O-CG 3.21Å; D457-E461 PolarHBondContact O-N 3.12Å; C459-E461 VanDerWaalsContact C-N 3.34Å; C459-E461 PolarHBondContact O-N 3.26Å; E461-N464 PolarHBondContact O-N 2.94Å; E461-K465 WeakPolarHBondContact O-CB 3.42Å; E461-K465 PolarHBondContact O-N 2.78Å
462K94.8Very high87.2Confident63 Ų6371.7 Ų71.727%0.27439%0.386SS..Hα-helixtrans-62.8-44.2176.8-73.2173.3172.2178.10112K458 C459 R460 K465 Y466 L485 E488K458-K462 WeakPolarHBondContact O-CG 3.27Å; K458-K462 PolarHBondContact O-N 3.19Å; C459-K462 WeakPolarHBondContact O-CB 3.49Å; C459-K462 PolarHBondContact O-N 2.93Å; R460-K462 PolarHBondContact O-N 3.13Å; K462-K465 PolarHBondContact O-N 2.86Å; K462-Y466 PolarHBondContact O-N 2.78Å; K462-L485 HydrophobicContact CB-CD2 3.74Å; K462-L485 HydrophobicContact CD-CD2 4.28Å; K462-E488 VanDerWaalsContact CD-OE2 3.3Å; K462-E488 WeakPolarHBondContact CD-OE2 3.38Å; K462-E488 IonicContact NZ-OE1 2.77Å; K462-E488 PolarHBondContact NZ-OE1 3Å; K462-E488 IonicContact NZ-OE2 3.76Å; K462-E488 PolarHBondContact NZ-OE2 3.45Å
463W95.5Very high88.3Confident0 Ų070.6 Ų70.60%038%0.375CS..Hα-helixtrans-62.4-45.6175.6-84.998.1000112.1C459 R460 K465 Y466 L467 L482 L485 L486 G489 V490 P491 L494 I498C459-W463 PolarHBondContact O-N 3Å; R460-W463 PolarHBondContact O-N 2.96Å; W463-K465 VanDerWaalsContact C-N 3.31Å; W463-K465 PolarHBondContact O-N 2.93Å; W463-Y466 WeakPolarHBondContact O-CB 3.29Å; W463-Y466 PolarHBondContact O-N 2.88Å; W463-Y466 VanDerWaalsContact O-N 3.16Å; W463-L467 WeakPolarHBondContact O-CG 3.48Å; W463-L467 PolarHBondContact O-N 2.83Å; W463-L482 HydrophobicContact CH2-CD1 3.83Å; W463-L482 HydrophobicContact CZ3-CD1 3.83Å; W463-L485 HydrophobicContact CD2-CB 4.33Å; W463-L485 HydrophobicContact CD2-CD1 4.26Å; W463-L485 HydrophobicContact CE3-CD1 4.35Å; W463-L485 HydrophobicContact CH2-CB 4.06Å; W463-L485 HydrophobicContact CZ2-CB 3.58Å; W463-L486 HydrophobicContact CH2-CD2 3.85Å; W463-L486 HydrophobicContact CH2-CG 4.29Å; W463-L486 HydrophobicContact CZ2-CD2 4.18Å; W463-G489 PolarHBondContact NE1-O 2.92Å; W463-V490 HydrophobicContact CH2-CG2 4.11Å; W463-V490 HydrophobicContact CZ2-CB 4.28Å; W463-V490 HydrophobicContact CZ2-CG1 4.31Å; W463-V490 HydrophobicContact CZ2-CG2 3.67Å; W463-P491 HydrophobicContact CB-CG 4.37Å; W463-P491 HydrophobicContact CG-CG 4.09Å; W463-L494 HydrophobicContact CB-CD1 3.77Å; W463-L494 HydrophobicContact CG-CD1 4.26Å; W463-I498 HydrophobicContact CE3-CD1 4.29Å; W463-I498 HydrophobicContact CH2-CD1 4.4Å; W463-I498 HydrophobicContact CH2-CG1 4.28Å; W463-I498 HydrophobicContact CH2-CG2 4.24Å; W463-I498 HydrophobicContact CZ3-CD1 3.65Å; W463-I498 HydrophobicContact CZ3-CG1 3.9Å
464N94.9Very high89.3Confident91 Ų9168.1 Ų68.149%0.48735%0.352SS..Hα-helixtrans-59.9-42.6176.6-72.5-23.2000111.8R460 E461 L467 Q468R460-N464 WeakPolarHBondContact O-CB 3.49Å; R460-N464 VanDerWaalsContact O-CG 3.27Å; R460-N464 PolarHBondContact O-N 3.39Å; R460-N464 PolarHBondContact O-ND2 3.03Å; E461-N464 PolarHBondContact O-N 2.94Å; N464-L467 PolarHBondContact O-N 3.46Å; N464-Q468 WeakPolarHBondContact O-CB 3.2Å; N464-Q468 PolarHBondContact O-N 3.5Å
465K95.5Very high90.2Very high136 Ų13666 Ų6659%0.59134%0.342SS*.Hα-helixtrans-60.8-45.4174.8-174.9-175.2175.7-172.40111.4E461 K462 W463 Q468 E469E461-K465 WeakPolarHBondContact O-CB 3.42Å; E461-K465 PolarHBondContact O-N 2.78Å; K462-K465 PolarHBondContact O-N 2.86Å; W463-K465 VanDerWaalsContact C-N 3.31Å; W463-K465 PolarHBondContact O-N 2.93Å; K465-Q468 PolarHBondContact O-N 3.45Å; K465-E469 WeakPolarHBondContact O-CB 3.35Å; K465-E469 PolarHBondContact O-N 3.02Å
466Y95.7Very high91Very high5 Ų564.9 Ų64.92%0.0233%0.333CS..Hα-helixtrans-59.7-50.4177.8-175.6-85.6000111.7K462 W463 Q468 E469 Y470 M476 Y477 T479 E481 L482 L485K462-Y466 PolarHBondContact O-N 2.78Å; W463-Y466 WeakPolarHBondContact O-CB 3.29Å; W463-Y466 PolarHBondContact O-N 2.88Å; W463-Y466 VanDerWaalsContact O-N 3.16Å; Y466-Q468 VanDerWaalsContact C-N 3.25Å; Y466-Q468 PolarHBondContact O-N 2.99Å; Y466-E469 PolarHBondContact O-N 2.96Å; Y466-E469 VanDerWaalsContact O-N 3.13Å; Y466-Y470 HydrophobicContact CD1-CD2 4.24Å; Y466-Y470 AromaticContact CD2-CD2 3.36Å; Y466-Y470 HydrophobicContact CD2-CD2 3.36Å; Y466-Y470 AromaticContact CD2-CE2 3.73Å; Y466-Y470 HydrophobicContact CD2-CE2 3.73Å; Y466-Y470 HydrophobicContact CD2-CG 4.22Å; Y466-Y470 HydrophobicContact CE1-CD2 4.2Å; Y466-Y470 HydrophobicContact CE1-CG 4.23Å; Y466-Y470 AromaticContact CE2-CD2 3.33Å; Y466-Y470 HydrophobicContact CE2-CD2 3.33Å; Y466-Y470 AromaticContact CE2-CE2 3.77Å; Y466-Y470 HydrophobicContact CE2-CE2 3.77Å; Y466-Y470 AromaticContact CE2-CG 3.78Å; Y466-Y470 HydrophobicContact CE2-CG 3.78Å; Y466-Y470 AromaticContact CG-CD2 3.82Å; Y466-Y470 HydrophobicContact CG-CD2 3.82Å; Y466-Y470 AromaticContact CZ-CD2 3.74Å; Y466-Y470 AromaticContact CZ-CG 3.74Å; Y466-Y470 WeakPolarHBondContact O-CB 3.4Å; Y466-Y470 WeakPolarHBondContact O-CD2 3.5Å; Y466-Y470 PolarHBondContact O-N 3.44Å; Y466-M476 HydrophobicContact CD1-SD 4.38Å; Y466-M476 HydrophobicContact CE1-CE 4.48Å; Y466-M476 HydrophobicContact CE1-CG 4.3Å; Y466-M476 HydrophobicContact CE1-SD 3.78Å; Y466-Y477 PolarHBondContact OH-O 2.78Å; Y466-T479 WeakPolarHBondContact CE2-OG1 3.33Å; Y466-T479 PolarHBondContact OH-N 2.92Å; Y466-T479 PolarHBondContact OH-OG1 2.87Å; Y466-E481 HydrophobicContact CD2-CB 4.09Å; Y466-E481 HydrophobicContact CD2-CG 3.87Å; Y466-E481 HydrophobicContact CE2-CB 3.9Å; Y466-E481 HydrophobicContact CE2-CG 4.2Å; Y466-L482 HydrophobicContact CE1-CB 4.27Å; Y466-L482 HydrophobicContact CE1-CD1 4.16Å; Y466-L482 HydrophobicContact CE2-CB 4.1Å; Y466-L482 WeakPolarHBondContact OH-CB 3.26Å; Y466-L485 HydrophobicContact CD1-CD1 4.46Å; Y466-L485 HydrophobicContact CD2-CD1 3.71Å; Y466-L485 HydrophobicContact CG-CD1 3.62Å
467L94.6Very high91.7Very high18 Ų1862.1 Ų62.19%0.09431%0.311CS..Hα-helixtrans-63.4-31.8-179.7-68.1177.2000112.6W463 N464 G471 T472 M476 L494 I498W463-L467 WeakPolarHBondContact O-CG 3.48Å; W463-L467 PolarHBondContact O-N 2.83Å; N464-L467 PolarHBondContact O-N 3.46Å; L467-G471 CarbonylContact O-C 3.44Å; L467-G471 VanDerWaalsContact O-C 3.26Å; L467-G471 VanDerWaalsContact O-CA 3.29Å; L467-G471 WeakPolarHBondContact O-CA 3.47Å; L467-G471 PolarHBondContact O-N 2.98Å; L467-G471 VanDerWaalsContact O-N 3.15Å; L467-T472 HydrophobicContact CB-CG2 3.87Å; L467-T472 HydrophobicContact CD2-CG2 4.19Å; L467-T472 HydrophobicContact CG-CG2 4.43Å; L467-M476 HydrophobicContact CD2-SD 3.77Å; L467-L494 HydrophobicContact CD1-CD1 4.11Å; L467-L494 HydrophobicContact CD1-CD2 4.21Å; L467-I498 HydrophobicContact CD2-CD1 4.45Å
468Q93.1Very high92.3Very high173 Ų17357.4 Ų57.481%0.80828%0.284SS*.Hα-helixtrans-70-37.9174.3-172.7178.613.700112.5N464 K465 Y466N464-Q468 WeakPolarHBondContact O-CB 3.2Å; N464-Q468 PolarHBondContact O-N 3.5Å; K465-Q468 PolarHBondContact O-N 3.45Å; Y466-Q468 VanDerWaalsContact C-N 3.25Å; Y466-Q468 PolarHBondContact O-N 2.99Å
469E93.3Very high92.6Very high82 Ų8251 Ų5138%0.38326%0.257SS..Hα-helixtrans-86.5-38.9-174.5-173171.2176.700112.9K465 Y466K465-E469 WeakPolarHBondContact O-CB 3.35Å; K465-E469 PolarHBondContact O-N 3.02Å; Y466-E469 PolarHBondContact O-N 2.96Å; Y466-E469 VanDerWaalsContact O-N 3.13Å
470Y93.1Very high92.9Very high34 Ų3454.4 Ų54.413%0.13328%0.277CS..Hα-helixtrans-107.74-173.4-59.8-81.2000113.4Y324 Y466 Y477 T479Y324-Y470 AromaticContact CD1-CD1 3.57Å; Y324-Y470 HydrophobicContact CD1-CD1 3.57Å; Y324-Y470 AromaticContact CD1-CE1 3.71Å; Y324-Y470 HydrophobicContact CD1-CE1 3.71Å; Y324-Y470 HydrophobicContact CD2-CD1 4.3Å; Y324-Y470 AromaticContact CD2-CE1 3.56Å; Y324-Y470 HydrophobicContact CD2-CE1 3.56Å; Y324-Y470 AromaticContact CE1-CD1 3.55Å; Y324-Y470 HydrophobicContact CE1-CD1 3.55Å; Y324-Y470 AromaticContact CE1-CE1 3.72Å; Y324-Y470 HydrophobicContact CE1-CE1 3.72Å; Y324-Y470 HydrophobicContact CE2-CD1 4.3Å; Y324-Y470 AromaticContact CE2-CE1 3.58Å; Y324-Y470 HydrophobicContact CE2-CE1 3.58Å; Y324-Y470 AromaticContact CG-CD1 3.96Å; Y324-Y470 HydrophobicContact CG-CD1 3.96Å; Y324-Y470 AromaticContact CG-CE1 3.63Å; Y324-Y470 HydrophobicContact CG-CE1 3.63Å; Y324-Y470 AromaticContact CZ-CD1 3.91Å; Y324-Y470 AromaticContact CZ-CE1 3.63Å; Y466-Y470 HydrophobicContact CD1-CD2 4.24Å; Y466-Y470 AromaticContact CD2-CD2 3.36Å; Y466-Y470 HydrophobicContact CD2-CD2 3.36Å; Y466-Y470 AromaticContact CD2-CE2 3.73Å; Y466-Y470 HydrophobicContact CD2-CE2 3.73Å; Y466-Y470 HydrophobicContact CD2-CG 4.22Å; Y466-Y470 HydrophobicContact CE1-CD2 4.2Å; Y466-Y470 HydrophobicContact CE1-CG 4.23Å; Y466-Y470 AromaticContact CE2-CD2 3.33Å; Y466-Y470 HydrophobicContact CE2-CD2 3.33Å; Y466-Y470 AromaticContact CE2-CE2 3.77Å; Y466-Y470 HydrophobicContact CE2-CE2 3.77Å; Y466-Y470 AromaticContact CE2-CG 3.78Å; Y466-Y470 HydrophobicContact CE2-CG 3.78Å; Y466-Y470 AromaticContact CG-CD2 3.82Å; Y466-Y470 HydrophobicContact CG-CD2 3.82Å; Y466-Y470 AromaticContact CZ-CD2 3.74Å; Y466-Y470 AromaticContact CZ-CG 3.74Å; Y466-Y470 WeakPolarHBondContact O-CB 3.4Å; Y466-Y470 WeakPolarHBondContact O-CD2 3.5Å; Y466-Y470 PolarHBondContact O-N 3.44Å; Y470-Y477 WeakPolarHBondContact O-CD2 3.2Å; Y470-Y477 PolarHBondContact O-N 2.8Å; Y470-T479 HydrophobicContact CD1-CG2 3.65Å; Y470-T479 HydrophobicContact CE1-CG2 3.73Å
471G90.9Very high93.1Very high31 Ų3152.7 Ų52.732%0.3227%0.274SS..  trans83.6176.6178.200000114.1L467 M476L467-G471 CarbonylContact O-C 3.44Å; L467-G471 VanDerWaalsContact O-C 3.26Å; L467-G471 VanDerWaalsContact O-CA 3.29Å; L467-G471 WeakPolarHBondContact O-CA 3.47Å; L467-G471 PolarHBondContact O-N 2.98Å; L467-G471 VanDerWaalsContact O-N 3.15Å; G471-M476 VanDerWaalsContact O-CG 3.3Å; G471-M476 WeakPolarHBondContact O-CG 3.27Å
472T89.6Confident93.2Very high76 Ų7646.2 Ų46.247%0.46624%0.244SC..SBendtrans-126.5162.4-178.7570000111.3L467L467-T472 HydrophobicContact CB-CG2 3.87Å; L467-T472 HydrophobicContact CD2-CG2 4.19Å; L467-T472 HydrophobicContact CG-CG2 4.43Å
473G89.3Confident93Very high25 Ų2544.4 Ų44.426%0.25824%0.236SC..SBendtrans73.1-158.9176.600000113.6C475 M476 V501G473-C475 VanDerWaalsContact C-N 3.32Å; G473-C475 PolarHBondContact O-N 3.48Å; G473-M476 VanDerWaalsContact O-CB 3.25Å; G473-M476 WeakPolarHBondContact O-CB 3.47Å; G473-M476 PolarHBondContact O-N 3.18Å; G473-V501 WeakPolarHBondContact O-CG1 3.39Å
474V87.4Confident92.9Very high23 Ų2349.2 Ų49.214%0.13925%0.254CS..THydrogen-bonded Turntrans-65.7-33.9-169.3-171.30000112.9P355 M476 A506 A507P355-V474 HydrophobicContact CG-CB 4.16Å; P355-V474 HydrophobicContact CG-CG1 3.46Å; P355-V474 VanDerWaalsContact CG-CG1 3.46Å; V474-M476 VanDerWaalsContact C-N 3.26Å; V474-M476 PolarHBondContact O-N 3.15Å; V474-A506 HydrophobicContact CG2-CB 3.67Å; V474-A507 HydrophobicContact CG1-CB 3.84Å
475C91.7Very high92.9Very high20 Ų2044.9 Ų44.914%0.13523%0.231CC..THydrogen-bonded Turntrans-85.911.5-179.2-60.70000113.7I352 L381 G473I352-C475 WeakPolarHBondContact CD1-O 3.44Å; L381-C475 HydrophobicContact CD1-CB 3.86Å; G473-C475 VanDerWaalsContact C-N 3.32Å; G473-C475 PolarHBondContact O-N 3.48Å
476M93.2Very high92.7Very high3 Ų338.4 Ų38.42%0.01520%0.203CC..  trans-59.2136.8176.2178-179.973.600111Y466 L467 G471 G473 V474 R478 L482 V501Y466-M476 HydrophobicContact CD1-SD 4.38Å; Y466-M476 HydrophobicContact CE1-CE 4.48Å; Y466-M476 HydrophobicContact CE1-CG 4.3Å; Y466-M476 HydrophobicContact CE1-SD 3.78Å; L467-M476 HydrophobicContact CD2-SD 3.77Å; G471-M476 VanDerWaalsContact O-CG 3.3Å; G471-M476 WeakPolarHBondContact O-CG 3.27Å; G473-M476 VanDerWaalsContact O-CB 3.25Å; G473-M476 WeakPolarHBondContact O-CB 3.47Å; G473-M476 PolarHBondContact O-N 3.18Å; V474-M476 VanDerWaalsContact C-N 3.26Å; V474-M476 PolarHBondContact O-N 3.15Å; M476-R478 PolarHBondContact O-N 3.15Å; M476-L482 HydrophobicContact CE-CD1 4.2Å; M476-L482 HydrophobicContact CE-CD2 3.87Å; M476-V501 HydrophobicContact CE-CG1 4.14Å
477Y94.3Very high92.5Very high20 Ų2040.3 Ų40.38%0.07821%0.213CC..  trans-67.8121.6172.5-66.7-92.9000109L320 P323 Y324 V350 I352 Y466 Y470L320-Y477 HydrophobicContact CD1-CE1 4.48Å; L320-Y477 HydrophobicContact CD2-CD1 4.36Å; L320-Y477 HydrophobicContact CD2-CE1 4.04Å; P323-Y477 WeakPolarHBondContact CD-OH 3.22Å; P323-Y477 HydrophobicContact CG-CE2 3.94Å; Y324-Y477 HydrophobicContact CE1-CD1 4.11Å; Y324-Y477 HydrophobicContact CE1-CD2 4.37Å; Y324-Y477 AromaticContact CE1-CG 3.97Å; Y324-Y477 HydrophobicContact CE1-CG 3.97Å; V350-Y477 HydrophobicContact CG2-CD1 3.84Å; I352-Y477 HydrophobicContact CD1-CD1 4.34Å; I352-Y477 HydrophobicContact CD1-CE1 4.06Å; Y466-Y477 PolarHBondContact OH-O 2.78Å; Y470-Y477 WeakPolarHBondContact O-CD2 3.2Å; Y470-Y477 PolarHBondContact O-N 2.8Å
478R94.4Very high92.2Very high14 Ų1442.6 Ų42.65%0.05322%0.223CC..EExtended strand (participates in β ladder)trans-92.7111.8176.4-61.6176.8-177.9170.5-1.5108.6V350 S351 M476 L482 V501V350-R478 CarbonylContact C-O 3.55Å; V350-R478 WeakPolarHBondContact CA-O 3.43Å; S351-R478 PolarHBondContact N-O 3.08Å; S351-R478 PolarHBondContact O-N 3.3Å; M476-R478 PolarHBondContact O-N 3.15Å; R478-L482 HydrophobicContact CB-CD2 4.14Å; R478-L482 HydrophobicContact CG-CD2 4.1Å; R478-V501 PolarHBondContact NH2-O 3.39Å
479T94.5Very high92Very high10 Ų1034.6 Ų34.66%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-123.9176.1-17367.80000112R348 V350 Y466 Y470 E481 L482R348-T479 CarbonylContact O-C 3.56Å; V350-T479 HydrophobicContact CG2-CG2 4.32Å; Y466-T479 WeakPolarHBondContact CE2-OG1 3.33Å; Y466-T479 PolarHBondContact OH-N 2.92Å; Y466-T479 PolarHBondContact OH-OG1 2.87Å; Y470-T479 HydrophobicContact CD1-CG2 3.65Å; Y470-T479 HydrophobicContact CE1-CG2 3.73Å; T479-E481 PolarHBondContact O-N 3.04Å; T479-E481 PolarHBondContact OG1-N 3.49Å; T479-L482 WeakPolarHBondContact O-CB 3.18Å; T479-L482 PolarHBondContact O-N 3.09Å
480V92.6Very high92Very high82 Ų8230.8 Ų30.850%0.49717%0.169SC..Hα-helixtrans-58.2-34.6173-175.60000111.9R348 L482 H483 R484R348-V480 HydrophobicContact CB-CG2 4.32Å; R348-V480 VanDerWaalsContact O-CG2 3.24Å; R348-V480 WeakPolarHBondContact O-CG2 3.34Å; R348-V480 PolarHBondContact O-N 3.26Å; V480-L482 VanDerWaalsContact C-N 3.33Å; V480-L482 PolarHBondContact O-N 3.21Å; V480-H483 WeakPolarHBondContact O-CB 3.39Å; V480-H483 PolarHBondContact O-N 3.18Å; V480-R484 PolarHBondContact O-N 2.94Å; V480-R484 VanDerWaalsContact O-N 3.08Å
481E93.4Very high91.9Very high65 Ų6529.2 Ų29.230%0.30416%0.163SC..Hα-helixtrans-69.4-31.3179.7-173.963-162.600111.8Y466 T479 H483 R484 L485Y466-E481 HydrophobicContact CD2-CB 4.09Å; Y466-E481 HydrophobicContact CD2-CG 3.87Å; Y466-E481 HydrophobicContact CE2-CB 3.9Å; Y466-E481 HydrophobicContact CE2-CG 4.2Å; T479-E481 PolarHBondContact O-N 3.04Å; T479-E481 PolarHBondContact OG1-N 3.49Å; E481-H483 VanDerWaalsContact C-N 3.32Å; E481-H483 PolarHBondContact O-N 3.12Å; E481-R484 WeakPolarHBondContact O-CB 3.35Å; E481-R484 PolarHBondContact O-N 3.34Å; E481-R484 IonicContact OE1-CZ 3.3Å; E481-R484 IonicContact OE1-NE 3.65Å; E481-R484 PolarHBondContact OE1-NE 3.46Å; E481-R484 IonicContact OE1-NH2 2.78Å; E481-R484 PolarHBondContact OE1-NH2 3.18Å; E481-R484 WeakPolarHBondContact OE2-CD 3.28Å; E481-R484 IonicContact OE2-NE 2.69Å; E481-R484 PolarHBondContact OE2-NE 3.28Å; E481-R484 VanDerWaalsContact OE2-NE 3.12Å; E481-L485 HydrophobicContact CG-CD1 4.42Å; E481-L485 HydrophobicContact CG-CG 4.47Å; E481-L485 WeakPolarHBondContact O-CG 3.42Å; E481-L485 PolarHBondContact O-N 3.1Å
482L94.8Very high91.7Very high0 Ų029.4 Ų29.40%016%0.157CC..Hα-helixtrans-58.2-47.7171.6178.960.1000110.8W463 Y466 M476 R478 T479 V480 R484 L485 L486 F674W463-L482 HydrophobicContact CH2-CD1 3.83Å; W463-L482 HydrophobicContact CZ3-CD1 3.83Å; Y466-L482 HydrophobicContact CE1-CB 4.27Å; Y466-L482 HydrophobicContact CE1-CD1 4.16Å; Y466-L482 HydrophobicContact CE2-CB 4.1Å; Y466-L482 WeakPolarHBondContact OH-CB 3.26Å; M476-L482 HydrophobicContact CE-CD1 4.2Å; M476-L482 HydrophobicContact CE-CD2 3.87Å; R478-L482 HydrophobicContact CB-CD2 4.14Å; R478-L482 HydrophobicContact CG-CD2 4.1Å; T479-L482 WeakPolarHBondContact O-CB 3.18Å; T479-L482 PolarHBondContact O-N 3.09Å; V480-L482 VanDerWaalsContact C-N 3.33Å; V480-L482 PolarHBondContact O-N 3.21Å; L482-R484 VanDerWaalsContact C-N 3.3Å; L482-R484 PolarHBondContact O-N 3.33Å; L482-L485 PolarHBondContact O-N 3.28Å; L482-L486 HydrophobicContact CD1-CG 4.44Å; L482-L486 HydrophobicContact CG-CD1 4.21Å; L482-L486 VanDerWaalsContact O-CG 3.32Å; L482-L486 WeakPolarHBondContact O-CG 3.46Å; L482-L486 PolarHBondContact O-N 2.88Å; L482-F674 HydrophobicContact CD2-CD2 4.21Å; L482-F674 HydrophobicContact CD2-CE2 3.84Å; L482-F674 HydrophobicContact CG-CE2 4.49Å
483H92.2Very high91.6Very high24 Ų2431.5 Ų31.511%0.11116%0.161CC..Hα-helixtrans-60.8-41.2178.4-178-113.4000111.7R348 V480 E481 L485 L486 L487 F674 E675 Y771R348-H483 PolarHBondContact NH1-CD2 3.08Å; R348-H483 VanDerWaalsContact NH1-CD2 3.26Å; R348-H483 PolarHBondContact NH1-NE2 3.46Å; V480-H483 WeakPolarHBondContact O-CB 3.39Å; V480-H483 PolarHBondContact O-N 3.18Å; E481-H483 VanDerWaalsContact C-N 3.32Å; E481-H483 PolarHBondContact O-N 3.12Å; H483-L485 VanDerWaalsContact C-N 3.35Å; H483-L485 PolarHBondContact O-N 2.96Å; H483-L486 PolarHBondContact O-N 2.89Å; H483-L487 PolarHBondContact O-N 3.47Å; H483-L487 VanDerWaalsContact O-N 3.1Å; H483-F674 HydrophobicContact CB-CE1 4.12Å; H483-F674 AromaticContact CD2-CE1 3.8Å; H483-E675 IonicContact CD2-OE1 3.41Å; H483-E675 PolarHBondContact CD2-OE1 3.15Å; H483-E675 IonicContact NE2-OE1 3.33Å; H483-E675 PolarHBondContact NE2-OE1 2.7Å; H483-Y771 AromaticContact CE1-CD1 3.94Å; H483-Y771 AromaticContact CE1-CE1 3.47Å; H483-Y771 VanDerWaalsContact CE1-CE1 3.47Å; H483-Y771 WeakPolarHBondContact CE1-CE1 3.32Å; H483-Y771 AromaticContact CE1-CZ 3.79Å; H483-Y771 AromaticContact NE2-CE1 3.3Å; H483-Y771 VanDerWaalsContact NE2-CE1 3.3Å; H483-Y771 WeakPolarHBondContact NE2-CE1 3.25Å; H483-Y771 AromaticContact NE2-CZ 3.26Å; H483-Y771 VanDerWaalsContact NE2-CZ 3.26Å; H483-Y771 PolarHBondContact NE2-OH 3.19Å
484R92.2Very high91.7Very high101 Ų10131.6 Ų31.638%0.38116%0.156SC..Hα-helixtrans-60.8-42.1174.8-159.2-177.694.171.714.3112.2V480 E481 L482 L487 E488V480-R484 PolarHBondContact O-N 2.94Å; V480-R484 VanDerWaalsContact O-N 3.08Å; E481-R484 WeakPolarHBondContact O-CB 3.35Å; E481-R484 PolarHBondContact O-N 3.34Å; E481-R484 IonicContact OE1-CZ 3.3Å; E481-R484 IonicContact OE1-NE 3.65Å; E481-R484 PolarHBondContact OE1-NE 3.46Å; E481-R484 IonicContact OE1-NH2 2.78Å; E481-R484 PolarHBondContact OE1-NH2 3.18Å; E481-R484 WeakPolarHBondContact OE2-CD 3.28Å; E481-R484 IonicContact OE2-NE 2.69Å; E481-R484 PolarHBondContact OE2-NE 3.28Å; E481-R484 VanDerWaalsContact OE2-NE 3.12Å; L482-R484 VanDerWaalsContact C-N 3.3Å; L482-R484 PolarHBondContact O-N 3.33Å; R484-L487 WeakPolarHBondContact O-CB 3.32Å; R484-L487 PolarHBondContact O-N 2.92Å; R484-E488 IonicContact CZ-OE1 3.37Å; R484-E488 IonicContact NH1-OE1 2.87Å; R484-E488 PolarHBondContact NH1-OE1 3.21Å; R484-E488 IonicContact NH2-OE1 3.05Å; R484-E488 PolarHBondContact NH2-OE1 3.09Å; R484-E488 IonicContact NH2-OE2 2.79Å; R484-E488 PolarHBondContact O-N 3.49Å; R484-E488 VanDerWaalsContact O-N 3.12Å
485L94.3Very high92Very high1 Ų131.7 Ų31.71%0.00515%0.154CC..Hα-helixtrans-69-36.7177.6-69.8173.4000112.6K462 W463 Y466 E481 L482 H483 L487 E488 G489K462-L485 HydrophobicContact CB-CD2 3.74Å; K462-L485 HydrophobicContact CD-CD2 4.28Å; W463-L485 HydrophobicContact CD2-CB 4.33Å; W463-L485 HydrophobicContact CD2-CD1 4.26Å; W463-L485 HydrophobicContact CE3-CD1 4.35Å; W463-L485 HydrophobicContact CH2-CB 4.06Å; W463-L485 HydrophobicContact CZ2-CB 3.58Å; Y466-L485 HydrophobicContact CD1-CD1 4.46Å; Y466-L485 HydrophobicContact CD2-CD1 3.71Å; Y466-L485 HydrophobicContact CG-CD1 3.62Å; E481-L485 HydrophobicContact CG-CD1 4.42Å; E481-L485 HydrophobicContact CG-CG 4.47Å; E481-L485 WeakPolarHBondContact O-CG 3.42Å; E481-L485 PolarHBondContact O-N 3.1Å; L482-L485 PolarHBondContact O-N 3.28Å; H483-L485 VanDerWaalsContact C-N 3.35Å; H483-L485 PolarHBondContact O-N 2.96Å; L485-L487 VanDerWaalsContact C-N 3.31Å; L485-L487 PolarHBondContact O-N 2.98Å; L485-E488 PolarHBondContact O-N 2.61Å; L485-G489 PolarHBondContact O-N 3.1Å
486L93.3Very high92.2Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-62.8-38.3173.9-67.7170.7000111.8W463 L482 H483 G489 V490 I498 R667 L671 F674W463-L486 HydrophobicContact CH2-CD2 3.85Å; W463-L486 HydrophobicContact CH2-CG 4.29Å; W463-L486 HydrophobicContact CZ2-CD2 4.18Å; L482-L486 HydrophobicContact CD1-CG 4.44Å; L482-L486 HydrophobicContact CG-CD1 4.21Å; L482-L486 VanDerWaalsContact O-CG 3.32Å; L482-L486 WeakPolarHBondContact O-CG 3.46Å; L482-L486 PolarHBondContact O-N 2.88Å; H483-L486 PolarHBondContact O-N 2.89Å; L486-G489 PolarHBondContact O-N 3.25Å; L486-V490 HydrophobicContact CD2-CG2 3.7Å; L486-I498 HydrophobicContact CD2-CG2 4Å; L486-R667 PolarHBondContact O-NH2 3.39Å; L486-L671 HydrophobicContact CB-CD2 3.55Å; L486-L671 HydrophobicContact CB-CG 4.14Å; L486-F674 HydrophobicContact CD1-CB 3.59Å; L486-F674 HydrophobicContact CD1-CD1 3.89Å; L486-F674 HydrophobicContact CD1-CD2 4.06Å; L486-F674 HydrophobicContact CD1-CG 3.57Å
487L90.7Very high92.3Very high45 Ų4535 Ų3524%0.23617%0.168CC..Hα-helixtrans-65.1-35.9172.6-74.4169000112.9H483 R484 L485 R667 L671 L767 Y771H483-L487 PolarHBondContact O-N 3.47Å; H483-L487 VanDerWaalsContact O-N 3.1Å; R484-L487 WeakPolarHBondContact O-CB 3.32Å; R484-L487 PolarHBondContact O-N 2.92Å; L485-L487 VanDerWaalsContact C-N 3.31Å; L485-L487 PolarHBondContact O-N 2.98Å; L487-R667 PolarHBondContact O-NH2 3.47Å; L487-L671 HydrophobicContact CD2-CD1 3.93Å; L487-L671 HydrophobicContact CD2-CD2 4.29Å; L487-L671 HydrophobicContact CG-CD2 4.29Å; L487-L767 HydrophobicContact CD2-CB 4.25Å; L487-Y771 HydrophobicContact CD2-CD2 3.64Å; L487-Y771 HydrophobicContact CD2-CE2 3.62Å
488E89Confident92.4Very high66 Ų6634.1 Ų34.131%0.30817%0.165SC..Hα-helixtrans-73.4-31.7174.4-69.8-174.5-177.100112.4K462 R484 L485 R667K462-E488 VanDerWaalsContact CD-OE2 3.3Å; K462-E488 WeakPolarHBondContact CD-OE2 3.38Å; K462-E488 IonicContact NZ-OE1 2.77Å; K462-E488 PolarHBondContact NZ-OE1 3Å; K462-E488 IonicContact NZ-OE2 3.76Å; K462-E488 PolarHBondContact NZ-OE2 3.45Å; R484-E488 IonicContact CZ-OE1 3.37Å; R484-E488 IonicContact NH1-OE1 2.87Å; R484-E488 PolarHBondContact NH1-OE1 3.21Å; R484-E488 IonicContact NH2-OE1 3.05Å; R484-E488 PolarHBondContact NH2-OE1 3.09Å; R484-E488 IonicContact NH2-OE2 2.79Å; R484-E488 PolarHBondContact O-N 3.49Å; R484-E488 VanDerWaalsContact O-N 3.12Å; L485-E488 PolarHBondContact O-N 2.61Å; E488-R667 PolarHBondContact O-NH1 3.14Å; E488-R667 PolarHBondContact O-NH2 3.43Å
489G88.7Confident92.5Very high4 Ų433.5 Ų33.54%0.04116%0.163CC..  trans119.8153.117400000113.6C459 W463 L485 L486 R667C459-G489 PolarHBondContact SG-O 3.26Å; W463-G489 PolarHBondContact NE1-O 2.92Å; L485-G489 PolarHBondContact O-N 3.1Å; L486-G489 PolarHBondContact O-N 3.25Å; G489-R667 VanDerWaalsContact CA-NE 3.34Å; G489-R667 VanDerWaalsContact N-NH2 3.13Å
490V91.8Very high92.6Very high2 Ų233.4 Ų33.41%0.01216%0.162CC..  trans-97.5130.6-178.5-169.60000110.7W463 L486 L494 R495 I498 D670W463-V490 HydrophobicContact CH2-CG2 4.11Å; W463-V490 HydrophobicContact CZ2-CB 4.28Å; W463-V490 HydrophobicContact CZ2-CG1 4.31Å; W463-V490 HydrophobicContact CZ2-CG2 3.67Å; L486-V490 HydrophobicContact CD2-CG2 3.7Å; V490-L494 HydrophobicContact CG1-CB 4.16Å; V490-R495 HydrophobicContact CG1-CB 4.15Å; V490-R495 PolarHBondContact O-NH2 3.17Å; V490-I498 HydrophobicContact CG1-CB 4.3Å; V490-I498 HydrophobicContact CG1-CG1 4.08Å; V490-I498 HydrophobicContact CG2-CG2 4.47Å; V490-D670 HydrophobicContact CG2-CB 3.85Å; V490-D670 VanDerWaalsContact CG2-CG 3.44Å; V490-D670 PolarHBondContact N-OD2 3.34Å
491P91.3Very high92.7Very high1 Ų129.8 Ų29.81%0.00614%0.14CC..  trans-57.7146.1171.9-26.534.6000112.9A455 R460 W463 Q493 L494 R495A455-P491 HydrophobicContact CB-CB 4.14Å; A455-P491 HydrophobicContact CB-CG 4.11Å; R460-P491 HydrophobicContact CG-CB 3.92Å; R460-P491 HydrophobicContact CG-CG 3.86Å; W463-P491 HydrophobicContact CB-CG 4.37Å; W463-P491 HydrophobicContact CG-CG 4.09Å; P491-Q493 VanDerWaalsContact C-N 3.28Å; P491-Q493 PolarHBondContact O-N 3.46Å; P491-L494 HydrophobicContact CB-CD1 4.39Å; P491-L494 HydrophobicContact CB-CG 4.45Å; P491-L494 HydrophobicContact CG-CD1 4.16Å; P491-L494 PolarHBondContact O-N 3.18Å; P491-R495 PolarHBondContact O-N 2.72Å
492L87.2Confident92.8Very high36 Ų3626.8 Ų26.819%0.18813%0.126CC..Hα-helixtrans-54.2-44-172-168.571.6000112.7I446 D454 L494 F587I446-L492 HydrophobicContact CD1-CD1 3.74Å; I446-L492 HydrophobicContact CD1-CD2 4.42Å; I446-L492 HydrophobicContact CG1-CD2 4.39Å; I446-L492 HydrophobicContact CG2-CG 4.5Å; D454-L492 HydrophobicContact CB-CB 4.49Å; D454-L492 WeakPolarHBondContact OD1-CB 3.38Å; D454-L492 PolarHBondContact OD1-N 3.09Å; L492-L494 VanDerWaalsContact C-N 3.32Å; L492-L494 PolarHBondContact O-N 3.41Å; L492-F587 HydrophobicContact CD1-CD1 4.06Å; L492-F587 HydrophobicContact CD1-CE1 3.58Å
493Q86.8Confident92.8Very high119 Ų11926.8 Ų26.856%0.55613%0.126SC*.Hα-helixtrans-76.6-18.4-175.9-5478.619.800113.3D454 P491D454-Q493 PolarHBondContact OD2-NE2 3.1Å; D454-Q493 PolarHBondContact OD2-OE1 3.05Å; P491-Q493 VanDerWaalsContact C-N 3.28Å; P491-Q493 PolarHBondContact O-N 3.46Å
494L92.8Very high93Very high28 Ų2826 Ų2615%0.14712%0.124CC..Hα-helixtrans-94.8-19.6178-64.6-179.7000112.3W463 L467 V490 P491 L492 G496 Q497 I498W463-L494 HydrophobicContact CB-CD1 3.77Å; W463-L494 HydrophobicContact CG-CD1 4.26Å; L467-L494 HydrophobicContact CD1-CD1 4.11Å; L467-L494 HydrophobicContact CD1-CD2 4.21Å; V490-L494 HydrophobicContact CG1-CB 4.16Å; P491-L494 HydrophobicContact CB-CD1 4.39Å; P491-L494 HydrophobicContact CB-CG 4.45Å; P491-L494 HydrophobicContact CG-CD1 4.16Å; P491-L494 PolarHBondContact O-N 3.18Å; L492-L494 VanDerWaalsContact C-N 3.32Å; L492-L494 PolarHBondContact O-N 3.41Å; L494-G496 PolarHBondContact O-N 2.84Å; L494-Q497 PolarHBondContact O-N 2.85Å; L494-Q497 VanDerWaalsContact O-N 3.14Å; L494-I498 HydrophobicContact CB-CG1 4.42Å; L494-I498 WeakPolarHBondContact O-CG1 3.48Å; L494-I498 PolarHBondContact O-N 3.4Å
495R93.6Very high93.1Very high24 Ų2421.1 Ų21.19%0.09111%0.106CC..Hα-helixtrans-53.2-53.9-170.7-172170.8-72.1137.14.1113.3V490 P491 Q497 I498 W499 F587 D670V490-R495 HydrophobicContact CG1-CB 4.15Å; V490-R495 PolarHBondContact O-NH2 3.17Å; P491-R495 PolarHBondContact O-N 2.72Å; R495-Q497 VanDerWaalsContact C-N 3.32Å; R495-Q497 PolarHBondContact O-N 2.91Å; R495-I498 PolarHBondContact O-N 2.81Å; R495-W499 VanDerWaalsContact CD-CZ2 3.44Å; R495-W499 HydrophobicContact CG-CD2 3.91Å; R495-W499 HydrophobicContact CG-CG 4.34Å; R495-W499 HydrophobicContact CG-CH2 4.3Å; R495-W499 HydrophobicContact CG-CZ2 3.62Å; R495-W499 WeakPolarHBondContact O-CB 3.32Å; R495-W499 VanDerWaalsContact O-CD1 3.32Å; R495-W499 VanDerWaalsContact O-CG 3.27Å; R495-W499 PolarHBondContact O-N 3.28Å; R495-F587 HydrophobicContact CB-CD1 4.48Å; R495-F587 HydrophobicContact CG-CB 4.44Å; R495-F587 HydrophobicContact CG-CD1 4.42Å; R495-F587 HydrophobicContact CG-CG 4.33Å; R495-D670 IonicContact NE-OD1 3.91Å; R495-D670 PolarHBondContact NE-OD1 2.99Å; R495-D670 IonicContact NE-OD2 3.54Å
496G94.8Very high93.2Very high5 Ų522 Ų225%0.05211%0.113CC..Hα-helixtrans-55.9-45.5178.400000113.2L494 W499 M500 F587 T588L494-G496 PolarHBondContact O-N 2.84Å; G496-W499 PolarHBondContact O-N 2.8Å; G496-M500 WeakPolarHBondContact O-CB 3.22Å; G496-M500 WeakPolarHBondContact O-CG 3.3Å; G496-M500 PolarHBondContact O-N 2.77Å; G496-F587 WeakPolarHBondContact CA-O 3.49Å; G496-T588 VanDerWaalsContact CA-CG2 3.5Å
497Q95.1Very high93.1Very high87 Ų8722.1 Ų22.141%0.40711%0.114SC..Hα-helixtrans-63.4-44.5178.5-173.1-17722.300112L494 R495 M500 V501L494-Q497 PolarHBondContact O-N 2.85Å; L494-Q497 VanDerWaalsContact O-N 3.14Å; R495-Q497 VanDerWaalsContact C-N 3.32Å; R495-Q497 PolarHBondContact O-N 2.91Å; Q497-M500 PolarHBondContact O-N 3.02Å; Q497-V501 WeakPolarHBondContact O-CG2 3.45Å; Q497-V501 PolarHBondContact O-N 2.92Å
498I96.6Very high93.2Very high3 Ų320.2 Ų20.22%0.01510%0.104CC..Hα-helixtrans-66.1-42.8179.5-64.6-57.6000110.9W463 L467 L486 V490 L494 R495 M500 V501 C502W463-I498 HydrophobicContact CE3-CD1 4.29Å; W463-I498 HydrophobicContact CH2-CD1 4.4Å; W463-I498 HydrophobicContact CH2-CG1 4.28Å; W463-I498 HydrophobicContact CH2-CG2 4.24Å; W463-I498 HydrophobicContact CZ3-CD1 3.65Å; W463-I498 HydrophobicContact CZ3-CG1 3.9Å; L467-I498 HydrophobicContact CD2-CD1 4.45Å; L486-I498 HydrophobicContact CD2-CG2 4Å; V490-I498 HydrophobicContact CG1-CB 4.3Å; V490-I498 HydrophobicContact CG1-CG1 4.08Å; V490-I498 HydrophobicContact CG2-CG2 4.47Å; L494-I498 HydrophobicContact CB-CG1 4.42Å; L494-I498 WeakPolarHBondContact O-CG1 3.48Å; L494-I498 PolarHBondContact O-N 3.4Å; R495-I498 PolarHBondContact O-N 2.81Å; I498-M500 PolarHBondContact O-N 3.38Å; I498-V501 PolarHBondContact O-N 2.95Å; I498-C502 WeakPolarHBondContact O-CB 3.24Å; I498-C502 PolarHBondContact O-N 3.42Å; I498-C502 PolarHBondContact O-SG 3.49Å; I498-C502 VanDerWaalsContact O-SG 3.39Å
499W97Very high93.4Very high0 Ų019.4 Ų19.40%010%0.101CC..Hα-helixtrans-60.1-45.9175.7-69.14.4000111.6R495 G496 V501 C502 S503 V583 L584 F587 L596 V666 L669 D670 F673R495-W499 VanDerWaalsContact CD-CZ2 3.44Å; R495-W499 HydrophobicContact CG-CD2 3.91Å; R495-W499 HydrophobicContact CG-CG 4.34Å; R495-W499 HydrophobicContact CG-CH2 4.3Å; R495-W499 HydrophobicContact CG-CZ2 3.62Å; R495-W499 WeakPolarHBondContact O-CB 3.32Å; R495-W499 VanDerWaalsContact O-CD1 3.32Å; R495-W499 VanDerWaalsContact O-CG 3.27Å; R495-W499 PolarHBondContact O-N 3.28Å; G496-W499 PolarHBondContact O-N 2.8Å; W499-V501 VanDerWaalsContact C-N 3.32Å; W499-V501 PolarHBondContact O-N 2.94Å; W499-C502 PolarHBondContact O-N 2.88Å; W499-S503 WeakPolarHBondContact O-CB 2.98Å; W499-S503 PolarHBondContact O-N 3.44Å; W499-S503 PolarHBondContact O-OG 3.47Å; W499-V583 HydrophobicContact CH2-CG1 4.41Å; W499-L584 HydrophobicContact CE3-CD2 4.27Å; W499-L584 HydrophobicContact CZ3-CD2 4.09Å; W499-F587 HydrophobicContact CE3-CB 4.45Å; W499-F587 AromaticContact CH2-CD2 3.45Å; W499-F587 HydrophobicContact CH2-CD2 3.45Å; W499-F587 VanDerWaalsContact CH2-CD2 3.45Å; W499-F587 AromaticContact CH2-CE2 3.86Å; W499-F587 HydrophobicContact CH2-CE2 3.86Å; W499-F587 HydrophobicContact CH2-CG 4.25Å; W499-F587 HydrophobicContact CZ2-CD2 4.41Å; W499-F587 HydrophobicContact CZ3-CB 4.15Å; W499-F587 AromaticContact CZ3-CD2 3.55Å; W499-F587 HydrophobicContact CZ3-CD2 3.55Å; W499-F587 HydrophobicContact CZ3-CE2 4.37Å; W499-F587 HydrophobicContact CZ3-CG 4.2Å; W499-L596 HydrophobicContact CB-CD1 4.16Å; W499-L596 HydrophobicContact CB-CD2 4.16Å; W499-L596 HydrophobicContact CE3-CD1 4.21Å; W499-V666 HydrophobicContact CH2-CG1 4.22Å; W499-V666 HydrophobicContact CZ2-CG1 3.96Å; W499-L669 HydrophobicContact CH2-CB 3.96Å; W499-L669 HydrophobicContact CH2-CD1 3.72Å; W499-L669 HydrophobicContact CZ2-CB 3.58Å; W499-L669 HydrophobicContact CZ2-CD1 4.23Å; W499-L669 HydrophobicContact CZ3-CD1 4.38Å; W499-D670 PolarHBondContact NE1-OD1 3.31Å; W499-F673 HydrophobicContact CB-CD2 3.74Å; W499-F673 HydrophobicContact CB-CE2 4.08Å; W499-F673 HydrophobicContact CB-CG 4.22Å; W499-F673 AromaticContact CD1-CD2 3.69Å; W499-F673 AromaticContact CD2-CD2 3.59Å; W499-F673 HydrophobicContact CD2-CD2 3.59Å; W499-F673 AromaticContact CD2-CE2 3.46Å; W499-F673 HydrophobicContact CD2-CE2 3.46Å; W499-F673 VanDerWaalsContact CD2-CE2 3.46Å; W499-F673 AromaticContact CE2-CD2 3.93Å; W499-F673 AromaticContact CE2-CE2 3.96Å; W499-F673 HydrophobicContact CE3-CD2 4.18Å; W499-F673 AromaticContact CE3-CE2 3.55Å; W499-F673 HydrophobicContact CE3-CE2 3.55Å; W499-F673 HydrophobicContact CE3-CZ 4.37Å; W499-F673 AromaticContact CG-CD2 3.4Å; W499-F673 HydrophobicContact CG-CD2 3.4Å; W499-F673 AromaticContact CG-CE2 3.74Å; W499-F673 HydrophobicContact CG-CE2 3.74Å; W499-F673 HydrophobicContact CG-CG 4.27Å; W499-F673 HydrophobicContact CZ2-CE2 4.44Å; W499-F673 HydrophobicContact CZ3-CE2 4.1Å
500M96.9Very high93.5Very high8 Ų820.9 Ų20.94%0.03911%0.113CC..Hα-helixtrans-59.7-40.6177.3-75-65.6-71.700112.4G496 Q497 I498 S503 A505 A506 M509 T588 E592 W595 L596G496-M500 WeakPolarHBondContact O-CB 3.22Å; G496-M500 WeakPolarHBondContact O-CG 3.3Å; G496-M500 PolarHBondContact O-N 2.77Å; Q497-M500 PolarHBondContact O-N 3.02Å; I498-M500 PolarHBondContact O-N 3.38Å; M500-S503 PolarHBondContact O-OG 2.97Å; M500-A505 HydrophobicContact CE-CB 3.98Å; M500-A505 PolarHBondContact O-N 2.66Å; M500-A505 HydrophobicContact SD-CB 3.73Å; M500-A506 HydrophobicContact CB-CB 4.08Å; M500-A506 HydrophobicContact CE-CB 4.46Å; M500-A506 WeakPolarHBondContact O-CB 3.32Å; M500-A506 PolarHBondContact O-N 3.07Å; M500-M509 HydrophobicContact CE-CE 4.14Å; M500-M509 HydrophobicContact CE-SD 4.06Å; M500-T588 HydrophobicContact CG-CG2 4.39Å; M500-E592 HydrophobicContact CE-CB 3.93Å; M500-E592 HydrophobicContact CE-CG 3.99Å; M500-E592 HydrophobicContact CG-CB 4.37Å; M500-E592 HydrophobicContact SD-CB 3.84Å; M500-E592 HydrophobicContact SD-CG 4.44Å; M500-W595 HydrophobicContact CE-CB 4.38Å; M500-L596 HydrophobicContact CG-CD1 4.47Å; M500-L596 HydrophobicContact CG-CG 4.44Å; M500-L596 HydrophobicContact SD-CD1 4.09Å; M500-L596 HydrophobicContact SD-CD2 3.95Å; M500-L596 HydrophobicContact SD-CG 3.56Å; M500-L596 VanDerWaalsContact SD-CG 3.56Å
501V94.9Very high93.3Very high7 Ų723 Ų234%0.04212%0.123CC..Hα-helixtrans-75.3-44.2-179.9170.90000112.3G473 M476 R478 Q497 I498 W499 G504G473-V501 WeakPolarHBondContact O-CG1 3.39Å; M476-V501 HydrophobicContact CE-CG1 4.14Å; R478-V501 PolarHBondContact NH2-O 3.39Å; Q497-V501 WeakPolarHBondContact O-CG2 3.45Å; Q497-V501 PolarHBondContact O-N 2.92Å; I498-V501 PolarHBondContact O-N 2.95Å; W499-V501 VanDerWaalsContact C-N 3.32Å; W499-V501 PolarHBondContact O-N 2.94Å; V501-G504 PolarHBondContact O-N 2.92Å
502C95.3Very high93.3Very high2 Ų225.6 Ų25.61%0.01414%0.137CC..Hα-helixtrans-69.5-40.2-177-71.80000112.2N305 I498 W499 G504 F673 F674N305-C502 PolarHBondContact ND2-O 2.89Å; I498-C502 WeakPolarHBondContact O-CB 3.24Å; I498-C502 PolarHBondContact O-N 3.42Å; I498-C502 PolarHBondContact O-SG 3.49Å; I498-C502 VanDerWaalsContact O-SG 3.39Å; W499-C502 PolarHBondContact O-N 2.88Å; C502-G504 PolarHBondContact O-N 2.88Å; C502-F673 CarbonylContact C-O 3.42Å; C502-F673 HydrophobicContact CB-CB 4.26Å; C502-F673 WeakPolarHBondContact CB-O 3.3Å; C502-F673 VanDerWaalsContact O-O 3.14Å; C502-F674 HydrophobicContact CB-CB 4.29Å
503S95.6Very high93.3Very high0 Ų028.4 Ų28.40%016%0.158CC..THydrogen-bonded Turntrans-72.8-13.2178.465.90000114.6W499 M500 A505 L596 F673W499-S503 WeakPolarHBondContact O-CB 2.98Å; W499-S503 PolarHBondContact O-N 3.44Å; W499-S503 PolarHBondContact O-OG 3.47Å; M500-S503 PolarHBondContact O-OG 2.97Å; S503-A505 PolarHBondContact O-N 3.26Å; S503-A505 VanDerWaalsContact OG-CB 3.26Å; S503-A505 WeakPolarHBondContact OG-CB 3.16Å; S503-A505 PolarHBondContact OG-N 3.23Å; S503-L596 VanDerWaalsContact OG-CD2 3.29Å; S503-L596 WeakPolarHBondContact OG-CD2 3.29Å; S503-F673 PolarHBondContact N-O 3.11Å
504G94.4Very high93.4Very high6 Ų624.1 Ų24.16%0.06215%0.146CC..SBendtrans77-1.6-17100000114.7V501 C502 A506 A507 E508V501-G504 PolarHBondContact O-N 2.92Å; C502-G504 PolarHBondContact O-N 2.88Å; G504-A506 VanDerWaalsContact C-N 3.28Å; G504-A506 PolarHBondContact O-N 2.8Å; G504-A507 PolarHBondContact O-N 3.41Å; G504-A507 VanDerWaalsContact O-N 3.12Å; G504-E508 PolarHBondContact O-N 3.13Å
505A96.3Very high93.3Very high0 Ų025.9 Ų25.90%015%0.151CC..Hα-helixtrans-58.6-36.8179.700000112.9M500 S503 A507 E508 M509 W595 L596 A599M500-A505 HydrophobicContact CE-CB 3.98Å; M500-A505 PolarHBondContact O-N 2.66Å; M500-A505 HydrophobicContact SD-CB 3.73Å; S503-A505 PolarHBondContact O-N 3.26Å; S503-A505 VanDerWaalsContact OG-CB 3.26Å; S503-A505 WeakPolarHBondContact OG-CB 3.16Å; S503-A505 PolarHBondContact OG-N 3.23Å; A505-A507 VanDerWaalsContact C-N 3.29Å; A505-A507 PolarHBondContact O-N 3.11Å; A505-E508 PolarHBondContact O-N 2.85Å; A505-M509 WeakPolarHBondContact O-CB 3.5Å; A505-M509 PolarHBondContact O-N 3.04Å; A505-W595 HydrophobicContact CB-CB 4.07Å; A505-W595 WeakPolarHBondContact CB-O 3.35Å; A505-L596 HydrophobicContact CB-CD2 3.97Å; A505-L596 HydrophobicContact CB-CG 4.4Å; A505-A599 HydrophobicContact CB-CB 4.29Å
506A94.6Very high93.4Very high18 Ų1824.8 Ų24.815%0.14915%0.147CC..Hα-helixtrans-57.6-41.817600000112.6V474 M500 G504 A510V474-A506 HydrophobicContact CG2-CB 3.67Å; M500-A506 HydrophobicContact CB-CB 4.08Å; M500-A506 HydrophobicContact CE-CB 4.46Å; M500-A506 WeakPolarHBondContact O-CB 3.32Å; M500-A506 PolarHBondContact O-N 3.07Å; G504-A506 VanDerWaalsContact C-N 3.28Å; G504-A506 PolarHBondContact O-N 2.8Å; A506-A510 WeakPolarHBondContact O-CB 3.36Å; A506-A510 PolarHBondContact O-N 3.35Å
507A92Very high93.2Very high3 Ų329 Ų293%0.02516%0.161CC..Hα-helixtrans-71.6-42-17900000111.5F339 P355 V474 G504 A505 A510 L511F339-A507 HydrophobicContact CE1-CB 3.73Å; F339-A507 HydrophobicContact CZ-CB 4.06Å; P355-A507 HydrophobicContact CG-CB 4.04Å; V474-A507 HydrophobicContact CG1-CB 3.84Å; G504-A507 PolarHBondContact O-N 3.41Å; G504-A507 VanDerWaalsContact O-N 3.12Å; A505-A507 VanDerWaalsContact C-N 3.29Å; A505-A507 PolarHBondContact O-N 3.11Å; A507-A510 PolarHBondContact O-N 3.35Å; A507-L511 WeakPolarHBondContact O-CG 3.4Å; A507-L511 PolarHBondContact O-N 3.23Å; A507-L511 VanDerWaalsContact O-N 3.14Å
508E93.4Very high92.9Very high5 Ų530 Ų302%0.02317%0.166CC..Hα-helixtrans-66.5-42.1179.2-165.8-179.1-172.200112.2P307 G504 A505 A510 L511 N512 R567 W595 R603P307-E508 HydrophobicContact CB-CG 4.23Å; P307-E508 HydrophobicContact CG-CB 3.96Å; P307-E508 HydrophobicContact CG-CG 3.8Å; G504-E508 PolarHBondContact O-N 3.13Å; A505-E508 PolarHBondContact O-N 2.85Å; E508-A510 VanDerWaalsContact C-N 3.29Å; E508-A510 PolarHBondContact O-N 3.23Å; E508-L511 PolarHBondContact O-N 3.04Å; E508-L511 VanDerWaalsContact O-N 3.14Å; E508-N512 PolarHBondContact O-N 2.84Å; E508-N512 PolarHBondContact O-ND2 3.49Å; E508-R567 IonicContact OE1-CZ 3.95Å; E508-R567 IonicContact OE1-NH2 3.92Å; E508-R567 PolarHBondContact OE1-NH2 2.92Å; E508-W595 HydrophobicContact CB-CE3 4.2Å; E508-W595 HydrophobicContact CB-CZ3 4.31Å; E508-W595 HydrophobicContact CG-CE3 3.84Å; E508-W595 HydrophobicContact CG-CH2 4.24Å; E508-W595 HydrophobicContact CG-CZ3 3.48Å; E508-W595 VanDerWaalsContact CG-CZ3 3.48Å; E508-R603 IonicContact OE1-NH1 2.73Å; E508-R603 IonicContact OE2-CZ 2.76Å; E508-R603 VanDerWaalsContact OE2-CZ 3.25Å; E508-R603 IonicContact OE2-NH1 3.69Å; E508-R603 PolarHBondContact OE2-NH1 3.27Å; E508-R603 IonicContact OE2-NH2 3.45Å; E508-R603 PolarHBondContact OE2-NH2 3.45Å
509M93.5Very high92.6Very high50 Ų5030.7 Ų30.725%0.24617%0.17CC..Hα-helixtrans-57-45173.3-178.817481.700111.3M500 A505 L511 N512 E591 E592 W595M500-M509 HydrophobicContact CE-CE 4.14Å; M500-M509 HydrophobicContact CE-SD 4.06Å; A505-M509 WeakPolarHBondContact O-CB 3.5Å; A505-M509 PolarHBondContact O-N 3.04Å; M509-L511 VanDerWaalsContact C-N 3.26Å; M509-L511 PolarHBondContact O-N 2.82Å; M509-N512 CarbonylContact O-C 3.06Å; M509-N512 PolarHBondContact O-N 2.81Å; M509-N512 VanDerWaalsContact O-N 3.07Å; M509-E591 HydrophobicContact SD-CG 4.27Å; M509-E592 HydrophobicContact CE-CG 4.26Å; M509-E592 HydrophobicContact SD-CG 4.09Å; M509-W595 HydrophobicContact CB-CB 4.37Å; M509-W595 VanDerWaalsContact CB-CD1 3.44Å; M509-W595 HydrophobicContact CB-CD2 4.09Å; M509-W595 HydrophobicContact CB-CG 3.73Å; M509-W595 HydrophobicContact CG-CG 4.15Å
510A89.5Confident92.3Very high35 Ų3531.5 Ų31.529%0.28917%0.174SC..Hα-helixtrans-64.3-30178.900000113.2I357 A506 A507 E508 N512I357-A510 WeakPolarHBondContact CD1-O 3.3Å; A506-A510 WeakPolarHBondContact O-CB 3.36Å; A506-A510 PolarHBondContact O-N 3.35Å; A507-A510 PolarHBondContact O-N 3.35Å; E508-A510 VanDerWaalsContact C-N 3.29Å; E508-A510 PolarHBondContact O-N 3.23Å; A510-N512 VanDerWaalsContact C-N 3.3Å
511L88.3Confident91.8Very high46 Ų4636.8 Ų36.824%0.24120%0.198CC..Hα-helixtrans-76.3-15.6175-68.7172.4000113.3N338 F339 I357 A507 E508 M509 P513N338-L511 HydrophobicContact CB-CD1 4.01Å; N338-L511 HydrophobicContact CB-CD2 4.15Å; F339-L511 HydrophobicContact CE2-CD1 3.75Å; F339-L511 HydrophobicContact CZ-CD1 3.64Å; I357-L511 HydrophobicContact CG2-CD2 4.45Å; A507-L511 WeakPolarHBondContact O-CG 3.4Å; A507-L511 PolarHBondContact O-N 3.23Å; A507-L511 VanDerWaalsContact O-N 3.14Å; E508-L511 PolarHBondContact O-N 3.04Å; E508-L511 VanDerWaalsContact O-N 3.14Å; M509-L511 VanDerWaalsContact C-N 3.26Å; M509-L511 PolarHBondContact O-N 2.82Å; L511-P513 VanDerWaalsContact C-CD 3.42Å; L511-P513 WeakPolarHBondContact O-CD 3.37Å
512N90.1Very high91.4Very high55 Ų5543.3 Ų43.329%0.29423%0.226SC..SBendtrans-12759.7-173.9-65.4-84.5000111.9E508 M509 A510 G514 Y515 W595E508-N512 PolarHBondContact O-N 2.84Å; E508-N512 PolarHBondContact O-ND2 3.49Å; M509-N512 CarbonylContact O-C 3.06Å; M509-N512 PolarHBondContact O-N 2.81Å; M509-N512 VanDerWaalsContact O-N 3.07Å; A510-N512 VanDerWaalsContact C-N 3.3Å; N512-G514 PolarHBondContact O-N 3.35Å; N512-Y515 HydrophobicContact CB-CG 4.39Å; N512-Y515 WeakPolarHBondContact O-CB 3.41Å; N512-Y515 PolarHBondContact O-N 3.35Å; N512-W595 HydrophobicContact CB-CH2 3.56Å; N512-W595 HydrophobicContact CB-CZ2 3.53Å
513P88.5Confident91Very high95 Ų9545.2 Ų45.262%0.61724%0.236SC*.THydrogen-bonded Turntrans-63.5124.7-175.627.4-34.7000111.6L511 Y515L511-P513 VanDerWaalsContact C-CD 3.42Å; L511-P513 WeakPolarHBondContact O-CD 3.37Å; P513-Y515 VanDerWaalsContact C-N 3.27Å; P513-Y515 PolarHBondContact O-N 2.98Å
514G87.8Confident90.3Very high30 Ų3051 Ų5131%0.30926%0.263SS..THydrogen-bonded Turntrans82.6-4.2176.800000115.3N512 Y516 R517 E518N512-G514 PolarHBondContact O-N 3.35Å; G514-Y516 PolarHBondContact O-N 2.77Å; G514-R517 PolarHBondContact O-N 3.31Å; G514-E518 PolarHBondContact O-N 3.2Å; G514-E518 VanDerWaalsContact O-N 3.08Å
515Y92Very high89.5Confident65 Ų6554.8 Ų54.826%0.25530%0.302SS..Hα-helixtrans-55.6-46.4-176.1-179.4-92.8000113.3N512 P513 R517 E518 L519 R567 F594 W595N512-Y515 HydrophobicContact CB-CG 4.39Å; N512-Y515 WeakPolarHBondContact O-CB 3.41Å; N512-Y515 PolarHBondContact O-N 3.35Å; P513-Y515 VanDerWaalsContact C-N 3.27Å; P513-Y515 PolarHBondContact O-N 2.98Å; Y515-R517 VanDerWaalsContact C-N 3.34Å; Y515-R517 PolarHBondContact O-N 3.08Å; Y515-E518 PolarHBondContact O-N 3.37Å; Y515-L519 HydrophobicContact CE1-CD2 3.85Å; Y515-L519 VanDerWaalsContact O-CB 3.32Å; Y515-L519 WeakPolarHBondContact O-CB 3.42Å; Y515-L519 PolarHBondContact O-N 2.97Å; Y515-R567 HydrophobicContact CE1-CG 4.36Å; Y515-F594 HydrophobicContact CD1-CE1 4.2Å; Y515-F594 HydrophobicContact CD1-CZ 4.33Å; Y515-F594 HydrophobicContact CE1-CE1 4.42Å; Y515-F594 HydrophobicContact CE1-CZ 4.13Å; Y515-W595 HydrophobicContact CD1-CH2 4.04Å; Y515-W595 AromaticContact CD1-CZ2 3.98Å; Y515-W595 HydrophobicContact CD1-CZ2 3.98Å; Y515-W595 HydrophobicContact CG-CH2 4.48Å; Y515-W595 HydrophobicContact CG-CZ2 4.35Å
516Y94.6Very high88.8Confident0 Ų058 Ų580%032%0.321CS..Hα-helixtrans-58.5-44.4-179.7174.7-112.8000112.4G514 L519 L520 R559 I560 A563 E590 E591 F594G514-Y516 PolarHBondContact O-N 2.77Å; Y516-L519 PolarHBondContact O-N 2.91Å; Y516-L520 HydrophobicContact CD1-CD1 4.4Å; Y516-L520 HydrophobicContact CE1-CD1 3.77Å; Y516-L520 HydrophobicContact CE2-CD1 3.96Å; Y516-L520 HydrophobicContact CE2-CG 4.34Å; Y516-L520 PolarHBondContact O-N 3.06Å; Y516-R559 WeakPolarHBondContact OH-CB 3.38Å; Y516-I560 HydrophobicContact CE2-CG2 4.39Å; Y516-A563 HydrophobicContact CD2-CB 3.74Å; Y516-A563 HydrophobicContact CE2-CB 3.45Å; Y516-A563 VanDerWaalsContact CE2-CB 3.45Å; Y516-E590 HydrophobicContact CE1-CG 4.27Å; Y516-E590 WeakPolarHBondContact OH-CG 3.37Å; Y516-E590 PolarHBondContact OH-OE1 3.49Å; Y516-E591 HydrophobicContact CD1-CB 3.99Å; Y516-E591 HydrophobicContact CD1-CG 4.12Å; Y516-E591 HydrophobicContact CG-CB 4.46Å; Y516-E591 HydrophobicContact CG-CG 4.19Å; Y516-F594 HydrophobicContact CD2-CB 3.87Å; Y516-F594 AromaticContact CD2-CD1 3.73Å; Y516-F594 HydrophobicContact CD2-CD1 3.73Å; Y516-F594 AromaticContact CD2-CD2 3.85Å; Y516-F594 HydrophobicContact CD2-CD2 3.85Å; Y516-F594 HydrophobicContact CD2-CE1 4.21Å; Y516-F594 HydrophobicContact CD2-CE2 4.31Å; Y516-F594 AromaticContact CD2-CG 3.52Å; Y516-F594 HydrophobicContact CD2-CG 3.52Å; Y516-F594 HydrophobicContact CD2-CZ 4.47Å; Y516-F594 HydrophobicContact CE2-CB 3.9Å; Y516-F594 HydrophobicContact CE2-CD2 4.06Å; Y516-F594 AromaticContact CE2-CG 3.92Å; Y516-F594 HydrophobicContact CE2-CG 3.92Å; Y516-F594 HydrophobicContact CG-CD1 4.28Å; Y516-F594 HydrophobicContact CG-CG 4.41Å
517R90.4Very high88Confident94 Ų9464.4 Ų64.436%0.35534%0.342SS..Hα-helixtrans-67.5-45.6179.6-65.8-177.8-167.766.67.4111.6I440 G514 Y515 L519 L520 H521 E591I440-R517 HydrophobicContact CD1-CG 3.76Å; G514-R517 PolarHBondContact O-N 3.31Å; Y515-R517 VanDerWaalsContact C-N 3.34Å; Y515-R517 PolarHBondContact O-N 3.08Å; R517-L519 VanDerWaalsContact C-N 3.26Å; R517-L519 PolarHBondContact O-N 2.69Å; R517-L520 PolarHBondContact O-N 3.3Å; R517-H521 WeakPolarHBondContact O-CB 3.27Å; R517-H521 PolarHBondContact O-N 2.78Å; R517-E591 IonicContact CZ-OE2 3.52Å; R517-E591 IonicContact NH1-OE1 3.11Å; R517-E591 IonicContact NH1-OE2 3.78Å; R517-E591 PolarHBondContact NH1-OE2 3.37Å; R517-E591 IonicContact NH2-OE2 3.64Å; R517-E591 PolarHBondContact NH2-OE2 3.46Å
518E89.3Confident87.4Confident107 Ų10765.8 Ų65.850%0.535%0.352SS..Hα-helixtrans-59.3-42.4177.9-169.8-170.7156.500110.7G514 Y515 H521 K522G514-E518 PolarHBondContact O-N 3.2Å; G514-E518 VanDerWaalsContact O-N 3.08Å; Y515-E518 PolarHBondContact O-N 3.37Å; E518-H521 PolarHBondContact O-N 3.5Å; E518-K522 HydrophobicContact CG-CD 4.48Å; E518-K522 WeakPolarHBondContact O-CB 3.39Å; E518-K522 PolarHBondContact O-N 3.29Å; E518-K522 IonicContact OE1-NZ 2.71Å; E518-K522 PolarHBondContact OE1-NZ 2.73Å
519L90.6Very high86.7Confident19 Ų1968.4 Ų68.410%0.09937%0.368CS..Hα-helixtrans-64.1-42.8-178.6-168.264.6000112.5Y515 Y516 R517 N523 A563 F566 R567 F594Y515-L519 HydrophobicContact CE1-CD2 3.85Å; Y515-L519 VanDerWaalsContact O-CB 3.32Å; Y515-L519 WeakPolarHBondContact O-CB 3.42Å; Y515-L519 PolarHBondContact O-N 2.97Å; Y516-L519 PolarHBondContact O-N 2.91Å; R517-L519 VanDerWaalsContact C-N 3.26Å; R517-L519 PolarHBondContact O-N 2.69Å; L519-N523 PolarHBondContact O-N 3.1Å; L519-N523 PolarHBondContact O-ND2 3.06Å; L519-A563 HydrophobicContact CD2-CB 4.26Å; L519-A563 WeakPolarHBondContact CD2-O 3.43Å; L519-F566 HydrophobicContact CD1-CB 4.15Å; L519-F566 HydrophobicContact CG-CB 4.29Å; L519-R567 HydrophobicContact CD2-CB 3.82Å; L519-F594 HydrophobicContact CD2-CZ 4.36Å
520L90.1Very high86.3Confident16 Ų1666.7 Ų66.78%0.08436%0.362CS..Hα-helixtrans-65.8-42.8174.4-73.8175.9000112.1F436 Y516 R517 N523 Q524 R559 T562 A563F436-L520 HydrophobicContact CE1-CB 4.37Å; Y516-L520 HydrophobicContact CD1-CD1 4.4Å; Y516-L520 HydrophobicContact CE1-CD1 3.77Å; Y516-L520 HydrophobicContact CE2-CD1 3.96Å; Y516-L520 HydrophobicContact CE2-CG 4.34Å; Y516-L520 PolarHBondContact O-N 3.06Å; R517-L520 PolarHBondContact O-N 3.3Å; L520-N523 PolarHBondContact O-N 2.86Å; L520-Q524 PolarHBondContact O-N 3.49Å; L520-R559 HydrophobicContact CD1-CB 4.15Å; L520-R559 HydrophobicContact CD1-CG 4.39Å; L520-R559 HydrophobicContact CD2-CB 4.28Å; L520-T562 HydrophobicContact CD2-CG2 4.35Å; L520-A563 HydrophobicContact CD2-CB 3.97Å; L520-A563 HydrophobicContact CG-CB 4.26Å
521H87.4Confident86.2Confident120 Ų12066.6 Ų66.656%0.55636%0.357SS*.Hα-helixtrans-66.7-43.4-178.6-174.3-85.2000112R517 E518 N523 Q524R517-H521 WeakPolarHBondContact O-CB 3.27Å; R517-H521 PolarHBondContact O-N 2.78Å; E518-H521 PolarHBondContact O-N 3.5Å; H521-N523 VanDerWaalsContact C-N 3.27Å; H521-N523 PolarHBondContact O-N 2.95Å; H521-Q524 PolarHBondContact O-N 3.15Å
522K86.6Confident86.1Confident144 Ų14469.4 Ų69.463%0.62637%0.369SS*.Hα-helixtrans-61.8-33.8178.4-107.2175176.2156.90113.4E518E518-K522 HydrophobicContact CG-CD 4.48Å; E518-K522 WeakPolarHBondContact O-CB 3.39Å; E518-K522 PolarHBondContact O-N 3.29Å; E518-K522 IonicContact OE1-NZ 2.71Å; E518-K522 PolarHBondContact OE1-NZ 2.73Å
523N85.5Confident86Confident41 Ų4170 Ų7022%0.21937%0.37CS..THydrogen-bonded Turntrans-105.214.1-172.8-61.5-72.2000113.1L519 L520 H521 G525 V526 F566L519-N523 PolarHBondContact O-N 3.1Å; L519-N523 PolarHBondContact O-ND2 3.06Å; L520-N523 PolarHBondContact O-N 2.86Å; H521-N523 VanDerWaalsContact C-N 3.27Å; H521-N523 PolarHBondContact O-N 2.95Å; N523-G525 PolarHBondContact O-N 3.4Å; N523-V526 HydrophobicContact CB-CG2 4.39Å; N523-V526 WeakPolarHBondContact O-CB 3.46Å; N523-V526 PolarHBondContact O-N 3.2Å; N523-F566 HydrophobicContact CB-CD1 4.05Å; N523-F566 HydrophobicContact CB-CD2 3.58Å; N523-F566 HydrophobicContact CB-CE1 4.02Å; N523-F566 HydrophobicContact CB-CE2 3.54Å; N523-F566 HydrophobicContact CB-CG 3.85Å; N523-F566 HydrophobicContact CB-CZ 3.77Å
524Q82Confident86.1Confident123 Ų12365.5 Ų65.558%0.57534%0.34SS*.THydrogen-bonded Turntrans-65.5125178.4-168.51771.900110.6L520 H521 V526L520-Q524 PolarHBondContact O-N 3.49Å; H521-Q524 PolarHBondContact O-N 3.15Å; Q524-V526 VanDerWaalsContact C-N 3.28Å; Q524-V526 PolarHBondContact O-N 3.45Å
525G76.9Confident86.2Confident85 Ų8567.8 Ų67.888%0.87634%0.343SS*.THydrogen-bonded Turntrans80.22.6-179.400000114.8N523N523-G525 PolarHBondContact O-N 3.4Å
526V82.6Confident86.1Confident67 Ų6772 Ų7241%0.40636%0.358SS..  trans-76.8131.2173.1179.20000109.3N523 Q524 L531 F566N523-V526 HydrophobicContact CB-CG2 4.39Å; N523-V526 WeakPolarHBondContact O-CB 3.46Å; N523-V526 PolarHBondContact O-N 3.2Å; Q524-V526 VanDerWaalsContact C-N 3.28Å; Q524-V526 PolarHBondContact O-N 3.45Å; V526-L531 WeakPolarHBondContact O-CD1 3.38Å; V526-F566 HydrophobicContact CB-CE1 4.38Å; V526-F566 HydrophobicContact CB-CZ 4.06Å; V526-F566 HydrophobicContact CG1-CE1 4.02Å; V526-F566 HydrophobicContact CG1-CZ 4.1Å
527Y78.2Confident85.8Confident152 Ų15272 Ų7260%0.59636%0.359SS*.  trans-91.1137.6175.9174.7-93000111.6E532Y527-E532 HydrophobicContact CE2-CG 3.87Å; Y527-E532 WeakPolarHBondContact CE2-OE1 3.31Å; Y527-E532 VanDerWaalsContact CZ-OE1 3.22Å; Y527-E532 PolarHBondContact OH-OE1 2.92Å; Y527-E532 PolarHBondContact OH-OE2 2.86Å
528S78.6Confident85.8Confident33 Ų3367.6 Ų67.623%0.23134%0.342CS..  trans-152.3156.9167.576.70000111.6A530 L531 E532S528-A530 PolarHBondContact O-N 3.16Å; S528-L531 WeakPolarHBondContact O-CB 3.4Å; S528-L531 PolarHBondContact O-N 3.24Å; S528-L531 WeakPolarHBondContact OG-CG 3.34Å; S528-E532 PolarHBondContact O-N 2.9Å
529V79.2Confident85.5Confident59 Ų5968.9 Ų68.936%0.35835%0.348SS..Hα-helixtrans-55.7-41.6177.2179.20000111.2L531 E532 E533 P859V529-L531 PolarHBondContact O-N 2.68Å; V529-E532 PolarHBondContact O-N 3.42Å; V529-E532 VanDerWaalsContact O-N 3.09Å; V529-E533 HydrophobicContact CG1-CG 4.48Å; V529-E533 WeakPolarHBondContact O-CG 3.2Å; V529-E533 PolarHBondContact O-N 2.93Å; V529-E533 VanDerWaalsContact O-N 3.08Å; V529-P859 HydrophobicContact CG2-CG 4.31Å
530A83.6Confident85.1Confident15 Ų1570.5 Ų70.512%0.12435%0.352CS..Hα-helixtrans-57.7-34.8177.600000112.5S528 E533 I534 A565S528-A530 PolarHBondContact O-N 3.16Å; A530-E533 PolarHBondContact O-N 3.33Å; A530-I534 WeakPolarHBondContact O-CD1 3.25Å; A530-I534 WeakPolarHBondContact O-CG1 3.48Å; A530-I534 PolarHBondContact O-N 3.31Å; A530-A565 HydrophobicContact CB-CB 4.18Å
531L87.3Confident84.7Confident32 Ų3269.8 Ų69.817%0.16835%0.349CS..Hα-helixtrans-70-38.7177.3-61.8178.4000112.2V526 S528 V529 E533 I534 E535 T562 F566V526-L531 WeakPolarHBondContact O-CD1 3.38Å; S528-L531 WeakPolarHBondContact O-CB 3.4Å; S528-L531 PolarHBondContact O-N 3.24Å; S528-L531 WeakPolarHBondContact OG-CG 3.34Å; V529-L531 PolarHBondContact O-N 2.68Å; L531-E533 VanDerWaalsContact C-N 3.32Å; L531-I534 HydrophobicContact CD2-CD1 4.26Å; L531-I534 PolarHBondContact O-N 3.22Å; L531-E535 WeakPolarHBondContact O-CG 3.47Å; L531-E535 PolarHBondContact O-N 3.41Å; L531-T562 HydrophobicContact CD2-CG2 3.62Å; L531-T562 WeakPolarHBondContact CD2-OG1 3.24Å; L531-F566 HydrophobicContact CD1-CE2 4.25Å; L531-F566 HydrophobicContact CD1-CZ 4.03Å; L531-F566 HydrophobicContact CD2-CE2 4.13Å
532E86.9Confident84.2Confident106 Ų10665.5 Ų65.550%0.49533%0.33SS..Hα-helixtrans-62.6-43174.6-63.8-168.6156.600111.2Y527 S528 V529 I534 E535 R536Y527-E532 HydrophobicContact CE2-CG 3.87Å; Y527-E532 WeakPolarHBondContact CE2-OE1 3.31Å; Y527-E532 VanDerWaalsContact CZ-OE1 3.22Å; Y527-E532 PolarHBondContact OH-OE1 2.92Å; Y527-E532 PolarHBondContact OH-OE2 2.86Å; S528-E532 PolarHBondContact O-N 2.9Å; V529-E532 PolarHBondContact O-N 3.42Å; V529-E532 VanDerWaalsContact O-N 3.09Å; E532-I534 VanDerWaalsContact C-N 3.34Å; E532-E535 PolarHBondContact O-N 2.87Å; E532-R536 PolarHBondContact O-N 3.37Å
533E87.4Confident83.4Confident67 Ų6761.7 Ų61.731%0.31332%0.32SS..Hα-helixtrans-63.5-40.6177-66.9-176.7145.500111.7V529 A530 L531 R536 D537 Y573V529-E533 HydrophobicContact CG1-CG 4.48Å; V529-E533 WeakPolarHBondContact O-CG 3.2Å; V529-E533 PolarHBondContact O-N 2.93Å; V529-E533 VanDerWaalsContact O-N 3.08Å; A530-E533 PolarHBondContact O-N 3.33Å; L531-E533 VanDerWaalsContact C-N 3.32Å; E533-R536 PolarHBondContact O-N 3.38Å; E533-D537 WeakPolarHBondContact O-CB 3.44Å; E533-D537 PolarHBondContact O-N 3.03Å; E533-Y573 HydrophobicContact CB-CD1 3.65Å; E533-Y573 HydrophobicContact CB-CE1 3.97Å
534I91.3Very high82.9Confident0 Ų065.9 Ų65.90%034%0.338CS..Hα-helixtrans-58.1-53.6172.1-71.7161.9000109.9A530 L531 E532 R536 D537 L538 L561 A565 Y573A530-I534 WeakPolarHBondContact O-CD1 3.25Å; A530-I534 WeakPolarHBondContact O-CG1 3.48Å; A530-I534 PolarHBondContact O-N 3.31Å; L531-I534 HydrophobicContact CD2-CD1 4.26Å; L531-I534 PolarHBondContact O-N 3.22Å; E532-I534 VanDerWaalsContact C-N 3.34Å; I534-R536 VanDerWaalsContact C-N 3.29Å; I534-R536 PolarHBondContact O-N 3.23Å; I534-D537 CarbonylContact O-C 3.58Å; I534-D537 WeakPolarHBondContact O-CA 3.42Å; I534-D537 PolarHBondContact O-N 2.85Å; I534-L538 HydrophobicContact CG2-CD1 4.27Å; I534-L538 HydrophobicContact CG2-CD2 4.12Å; I534-L538 HydrophobicContact CG2-CG 4.04Å; I534-L538 WeakPolarHBondContact O-CG 3.26Å; I534-L538 PolarHBondContact O-N 3.09Å; I534-L561 HydrophobicContact CD1-CB 3.79Å; I534-L561 HydrophobicContact CG1-CB 4.01Å; I534-L561 HydrophobicContact CG1-CD1 4.48Å; I534-L561 HydrophobicContact CG2-CB 4.16Å; I534-L561 HydrophobicContact CG2-CD1 4.06Å; I534-A565 HydrophobicContact CD1-CB 4.41Å; I534-Y573 HydrophobicContact CD1-CD2 4.1Å; I534-Y573 HydrophobicContact CD1-CG 4.12Å; I534-Y573 HydrophobicContact CG1-CD1 3.91Å; I534-Y573 HydrophobicContact CG1-CD2 3.42Å; I534-Y573 VanDerWaalsContact CG1-CD2 3.42Å; I534-Y573 HydrophobicContact CG1-CE1 4.28Å; I534-Y573 HydrophobicContact CG1-CE2 3.85Å; I534-Y573 HydrophobicContact CG1-CG 3.45Å; I534-Y573 VanDerWaalsContact CG1-CG 3.45Å
535E90.8Very high82.9Confident78 Ų7860 Ų6036%0.36431%0.311SS..Hα-helixtrans-57.3-41-177.4-71.4-53.7145.600113.1L531 E532 D537 L538 R558L531-E535 WeakPolarHBondContact O-CG 3.47Å; L531-E535 PolarHBondContact O-N 3.41Å; E532-E535 PolarHBondContact O-N 2.87Å; E535-D537 PolarHBondContact O-N 2.91Å; E535-L538 WeakPolarHBondContact OE2-CD1 3.27Å; E535-R558 VanDerWaalsContact CD-NE 3.3Å; E535-R558 WeakPolarHBondContact OE1-CD 3.39Å; E535-R558 IonicContact OE1-CZ 3.39Å; E535-R558 IonicContact OE1-NE 2.94Å; E535-R558 PolarHBondContact OE1-NE 3.42Å; E535-R558 IonicContact OE1-NH2 3.77Å; E535-R558 IonicContact OE2-CZ 3.62Å; E535-R558 IonicContact OE2-NE 3.73Å; E535-R558 PolarHBondContact OE2-NE 3.15Å; E535-R558 VanDerWaalsContact OE2-NE 3.15Å; E535-R558 IonicContact OE2-NH2 3.18Å; E535-R558 PolarHBondContact OE2-NH2 3.1Å
536R88.6Confident83.1Confident154 Ų15458.2 Ų58.258%0.58128%0.284SS*.Hα-helixtrans-60.9-31.7175.8-174.8178.163.2-161.7-5.8111.9E532 E533 I534E532-R536 PolarHBondContact O-N 3.37Å; E533-R536 PolarHBondContact O-N 3.38Å; I534-R536 VanDerWaalsContact C-N 3.29Å; I534-R536 PolarHBondContact O-N 3.23Å
537D89.1Confident83.2Confident1 Ų155 Ų551%0.00526%0.264CS..Hα-helixtrans-97.8-18.6-169.6-69.85.9000114.4E533 I534 E535 H539 R540 S541 Y573 N578E533-D537 WeakPolarHBondContact O-CB 3.44Å; E533-D537 PolarHBondContact O-N 3.03Å; I534-D537 CarbonylContact O-C 3.58Å; I534-D537 WeakPolarHBondContact O-CA 3.42Å; I534-D537 PolarHBondContact O-N 2.85Å; E535-D537 PolarHBondContact O-N 2.91Å; D537-H539 VanDerWaalsContact C-N 3.3Å; D537-H539 PolarHBondContact O-N 2.94Å; D537-R540 HydrophobicContact CB-CG 4.42Å; D537-R540 VanDerWaalsContact CG-NE 3.25Å; D537-R540 WeakPolarHBondContact O-CG 3.4Å; D537-R540 PolarHBondContact O-N 2.83Å; D537-R540 IonicContact OD1-CZ 3.33Å; D537-R540 IonicContact OD1-NE 3.79Å; D537-R540 PolarHBondContact OD1-NE 2.79Å; D537-R540 VanDerWaalsContact OD1-NE 3.13Å; D537-R540 IonicContact OD1-NH2 3.12Å; D537-R540 PolarHBondContact OD1-NH2 3.49Å; D537-R540 IonicContact OD2-CZ 2.97Å; D537-R540 IonicContact OD2-NE 3.99Å; D537-R540 IonicContact OD2-NH2 2.67Å; D537-R540 PolarHBondContact OD2-NH2 3.47Å; D537-S541 PolarHBondContact O-OG 3.31Å; D537-S541 VanDerWaalsContact O-OG 3.07Å; D537-Y573 HydrophobicContact CB-CE1 4.35Å; D537-Y573 WeakPolarHBondContact CB-OH 3.48Å; D537-Y573 VanDerWaalsContact CG-OH 3.28Å; D537-Y573 VanDerWaalsContact OD2-CE1 3.25Å; D537-Y573 WeakPolarHBondContact OD2-CE1 3.42Å; D537-Y573 PolarHBondContact OD2-OH 3.37Å; D537-N578 HydrophobicContact CB-CB 4.45Å; D537-N578 PolarHBondContact O-ND2 3.5Å
538L89.6Confident83.6Confident0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-54-46.8-175.9-77.7172.3000112.4I534 E535 R540 S541 I554 L557 R558 L561I534-L538 HydrophobicContact CG2-CD1 4.27Å; I534-L538 HydrophobicContact CG2-CD2 4.12Å; I534-L538 HydrophobicContact CG2-CG 4.04Å; I534-L538 WeakPolarHBondContact O-CG 3.26Å; I534-L538 PolarHBondContact O-N 3.09Å; E535-L538 WeakPolarHBondContact OE2-CD1 3.27Å; L538-R540 VanDerWaalsContact C-N 3.27Å; L538-R540 PolarHBondContact O-N 2.97Å; L538-S541 VanDerWaalsContact O-CB 3.25Å; L538-S541 WeakPolarHBondContact O-CB 3.41Å; L538-S541 PolarHBondContact O-N 3.19Å; L538-S541 PolarHBondContact O-OG 2.85Å; L538-I554 HydrophobicContact CB-CG2 4.12Å; L538-I554 HydrophobicContact CD1-CG2 4.18Å; L538-I554 WeakPolarHBondContact O-CD1 3.43Å; L538-L557 HydrophobicContact CD2-CB 3.97Å; L538-L557 HydrophobicContact CD2-CD2 3.87Å; L538-L557 HydrophobicContact CD2-CG 3.69Å; L538-R558 HydrophobicContact CD1-CB 3.73Å; L538-R558 HydrophobicContact CD1-CG 4.03Å; L538-R558 VanDerWaalsContact CD1-CZ 3.46Å; L538-R558 VanDerWaalsContact CD1-NH2 3.29Å; L538-R558 HydrophobicContact CD2-CB 4.11Å; L538-L561 HydrophobicContact CD2-CD1 4.25Å
539H83.9Confident83.6Confident135 Ų13553 Ų5363%0.62526%0.256SS*.THydrogen-bonded Turntrans-76-10.1-173.7-6192000114.5D537D537-H539 VanDerWaalsContact C-N 3.3Å; D537-H539 PolarHBondContact O-N 2.94Å
540R82.1Confident83.2Confident53 Ų5354.9 Ų54.920%0.226%0.261CS..THydrogen-bonded Turntrans-94.96.3172.258.8173.4-176.8-174.50.8113.3D537 L538 G732D537-R540 HydrophobicContact CB-CG 4.42Å; D537-R540 VanDerWaalsContact CG-NE 3.25Å; D537-R540 WeakPolarHBondContact O-CG 3.4Å; D537-R540 PolarHBondContact O-N 2.83Å; D537-R540 IonicContact OD1-CZ 3.33Å; D537-R540 IonicContact OD1-NE 3.79Å; D537-R540 PolarHBondContact OD1-NE 2.79Å; D537-R540 VanDerWaalsContact OD1-NE 3.13Å; D537-R540 IonicContact OD1-NH2 3.12Å; D537-R540 PolarHBondContact OD1-NH2 3.49Å; D537-R540 IonicContact OD2-CZ 2.97Å; D537-R540 IonicContact OD2-NE 3.99Å; D537-R540 IonicContact OD2-NH2 2.67Å; D537-R540 PolarHBondContact OD2-NH2 3.47Å; L538-R540 VanDerWaalsContact C-N 3.27Å; L538-R540 PolarHBondContact O-N 2.97Å; R540-G732 PolarHBondContact NH1-O 3.31Å
541S80.6Confident82.8Confident1 Ų156 Ų561%0.00728%0.275CS..SBendtrans-88.7107.7-175.7-44.20000111.1D537 L538 F548 L557 N578D537-S541 PolarHBondContact O-OG 3.31Å; D537-S541 VanDerWaalsContact O-OG 3.07Å; L538-S541 VanDerWaalsContact O-CB 3.25Å; L538-S541 WeakPolarHBondContact O-CB 3.41Å; L538-S541 PolarHBondContact O-N 3.19Å; L538-S541 PolarHBondContact O-OG 2.85Å; S541-F548 WeakPolarHBondContact O-CB 3.45Å; S541-L557 VanDerWaalsContact CB-CD2 3.46Å; S541-L557 WeakPolarHBondContact OG-CD2 3.42Å; S541-N578 WeakPolarHBondContact OG-CB 3.33Å; S541-N578 PolarHBondContact OG-ND2 3.32Å
542L78.3Confident82.6Confident30 Ų3056.7 Ų56.716%0.15728%0.28CS..SBendtrans48.158.6179-162.271.7000113.2E544 H545 F548 V583 L586 F662L542-E544 PolarHBondContact O-N 2.73Å; L542-H545 HydrophobicContact CD2-CB 3.57Å; L542-H545 HydrophobicContact CG-CB 3.83Å; L542-H545 PolarHBondContact O-N 2.87Å; L542-F548 HydrophobicContact CB-CD2 4.08Å; L542-F548 HydrophobicContact CD2-CD2 4.14Å; L542-F548 HydrophobicContact CD2-CE2 4.07Å; L542-V583 HydrophobicContact CD2-CG2 4.43Å; L542-L586 HydrophobicContact CD2-CD1 3.66Å; L542-F662 HydrophobicContact CD1-CD2 3.94Å; L542-F662 HydrophobicContact CD2-CD2 4.21Å; L542-F662 HydrophobicContact CD2-CE2 4.02Å
543P70Confident82.7Confident64 Ų6451.6 Ų51.642%0.41626%0.257SS..THydrogen-bonded Turntrans-62.2-20.4-169.326.7-36.1000113.7H545 Q549P543-H545 VanDerWaalsContact C-N 3.33Å; P543-Q549 PolarHBondContact O-NE2 3.3Å
544E73.3Confident82.9Confident128 Ų12848.8 Ų48.860%0.59824%0.244SC*.THydrogen-bonded Turntrans-73.3-22.4178.1-57.4-169.7179.400113.6L542L542-E544 PolarHBondContact O-N 2.73Å
545H81.8Confident82.9Confident1 Ų151.8 Ų51.81%0.00526%0.26CS..SBendtrans-89.1127.6-172.9-167.9-77.6000111.4Y449 F451 L542 P543 A547 F548 L586Y449-H545 PolarHBondContact O-CE1 3.18Å; Y449-H545 PolarHBondContact O-NE2 3.35Å; F451-H545 WeakPolarHBondContact CB-NE2 3.39Å; F451-H545 AromaticContact CD2-CD2 3.65Å; F451-H545 AromaticContact CG-CD2 3.46Å; F451-H545 VanDerWaalsContact CG-CD2 3.46Å; F451-H545 WeakPolarHBondContact CG-CD2 3.32Å; F451-H545 AromaticContact CG-NE2 3.78Å; L542-H545 HydrophobicContact CD2-CB 3.57Å; L542-H545 HydrophobicContact CG-CB 3.83Å; L542-H545 PolarHBondContact O-N 2.87Å; P543-H545 VanDerWaalsContact C-N 3.33Å; H545-A547 VanDerWaalsContact ND1-CB 3.27Å; H545-A547 WeakPolarHBondContact ND1-CB 3.46Å; H545-A547 PolarHBondContact ND1-N 3.01Å; H545-A547 VanDerWaalsContact ND1-N 3.18Å; H545-A547 PolarHBondContact O-N 3.08Å; H545-F548 HydrophobicContact CB-CD2 4.15Å; H545-F548 PolarHBondContact O-N 3.38Å; H545-L586 WeakPolarHBondContact CE1-CD2 3.23Å
546P82.9Confident83.1Confident47 Ų4748 Ų4831%0.30524%0.242SC..G310 helixtrans-56.2-30.9-174.7-27.834.8000115Y449 F548 Q549Y449-P546 HydrophobicContact CD1-CB 4Å; P546-F548 PolarHBondContact O-N 3.4Å; P546-Q549 PolarHBondContact O-N 3.13Å
547A84.5Confident83.4Confident0 Ų040.7 Ų40.70%022%0.215CC..G310 helixtrans-61.2-28.517900000113.8L445 Y449 H545 G553 L586L445-A547 HydrophobicContact CB-CB 4.24Å; L445-A547 HydrophobicContact CD1-CB 4.16Å; Y449-A547 HydrophobicContact CD2-CB 3.57Å; Y449-A547 HydrophobicContact CE2-CB 4.15Å; Y449-A547 HydrophobicContact CG-CB 3.87Å; H545-A547 VanDerWaalsContact ND1-CB 3.27Å; H545-A547 WeakPolarHBondContact ND1-CB 3.46Å; H545-A547 PolarHBondContact ND1-N 3.01Å; H545-A547 VanDerWaalsContact ND1-N 3.18Å; H545-A547 PolarHBondContact O-N 3.08Å; A547-G553 WeakPolarHBondContact O-CA 3.05Å; A547-L586 HydrophobicContact CB-CD2 4.31Å
548F85.8Confident83.6Confident10 Ų1043.5 Ų43.54%0.04423%0.225CC..G310 helixtrans-102.92.4-177.7-59.6-68.9000113.3L445 S541 L542 H545 P546 I554 L557 S582 L585 L586L445-F548 HydrophobicContact CD1-CE1 4.13Å; L445-F548 HydrophobicContact CD1-CZ 3.85Å; S541-F548 WeakPolarHBondContact O-CB 3.45Å; L542-F548 HydrophobicContact CB-CD2 4.08Å; L542-F548 HydrophobicContact CD2-CD2 4.14Å; L542-F548 HydrophobicContact CD2-CE2 4.07Å; H545-F548 HydrophobicContact CB-CD2 4.15Å; H545-F548 PolarHBondContact O-N 3.38Å; P546-F548 PolarHBondContact O-N 3.4Å; F548-I554 HydrophobicContact CB-CD1 4.13Å; F548-I554 HydrophobicContact CD1-CD1 4.28Å; F548-I554 WeakPolarHBondContact O-CD1 3.35Å; F548-I554 WeakPolarHBondContact O-CG1 3.43Å; F548-L557 HydrophobicContact CD1-CD2 4.47Å; F548-L557 HydrophobicContact CE1-CB 4.38Å; F548-L557 HydrophobicContact CE1-CD2 4.45Å; F548-S582 WeakPolarHBondContact CE2-O 3.3Å; F548-S582 WeakPolarHBondContact CZ-O 3.35Å; F548-L585 HydrophobicContact CE1-CD1 4.41Å; F548-L585 HydrophobicContact CZ-CB 4.34Å; F548-L586 HydrophobicContact CE2-CD2 3.74Å; F548-L586 HydrophobicContact CE2-CG 4.09Å; F548-L586 HydrophobicContact CZ-CD2 4.27Å
549Q79.8Confident83.9Confident132 Ų13245.1 Ų45.162%0.61723%0.231SC*.THydrogen-bonded Turntrans-89.9-12.2167.6-62.9175.3-0.600111.9P543 P546P543-Q549 PolarHBondContact O-NE2 3.3Å; P546-Q549 PolarHBondContact O-N 3.13Å
550Q69.8Low84.5Confident99 Ų9938.7 Ų38.746%0.46320%0.202SC..SBendtrans-118.1154.8-177.3-60.3-179.28.600110.9Y449Y449-Q550 PolarHBondContact OH-OE1 3.21Å
551G74.9Confident85.2Confident39 Ų3936.2 Ų36.240%0.40219%0.192SC..Hα-helixtrans-49.4-48.4-17600000116.2G553 I554 D555G551-G553 PolarHBondContact O-N 3.42Å; G551-I554 PolarHBondContact O-N 3.41Å; G551-D555 WeakPolarHBondContact O-CB 3.33Å; G551-D555 PolarHBondContact O-N 2.95Å
552P84.1Confident85.9Confident45 Ų4537.3 Ų37.329%0.29220%0.199SC..Hα-helixtrans-61.4-39.9-169.6-26.334.6000115.6W441 A556W441-P552 HydrophobicContact CE3-CB 4.15Å; W441-P552 HydrophobicContact CH2-CB 4.46Å; W441-P552 HydrophobicContact CZ3-CB 3.72Å; P552-A556 WeakPolarHBondContact O-CB 3.47Å; P552-A556 PolarHBondContact O-N 3.38Å
553G88.9Confident86.7Confident0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-73.3-37.6178.900000112.4A547 G551 A556 L557A547-G553 WeakPolarHBondContact O-CA 3.05Å; G551-G553 PolarHBondContact O-N 3.42Å; G553-A556 PolarHBondContact O-N 3.17Å; G553-L557 WeakPolarHBondContact O-CB 3.37Å; G553-L557 PolarHBondContact O-N 3.24Å
554I91.1Very high87.9Confident8 Ų832.8 Ų32.84%0.04117%0.171CC..Hα-helixtrans-64.5-41.1173.4-67.3-64.2000111.1L538 F548 G551 L557 R558L538-I554 HydrophobicContact CB-CG2 4.12Å; L538-I554 HydrophobicContact CD1-CG2 4.18Å; L538-I554 WeakPolarHBondContact O-CD1 3.43Å; F548-I554 HydrophobicContact CB-CD1 4.13Å; F548-I554 HydrophobicContact CD1-CD1 4.28Å; F548-I554 WeakPolarHBondContact O-CD1 3.35Å; F548-I554 WeakPolarHBondContact O-CG1 3.43Å; G551-I554 PolarHBondContact O-N 3.41Å; I554-L557 PolarHBondContact O-N 3.44Å; I554-R558 WeakPolarHBondContact O-CB 3.46Å; I554-R558 PolarHBondContact O-N 3.42Å
555D91.8Very high88.7Confident62 Ų6227 Ų2733%0.33215%0.145SC..Hα-helixtrans-67.6-39.4178.7-64-26.3000112.1G551 R558 R559G551-D555 WeakPolarHBondContact O-CB 3.33Å; G551-D555 PolarHBondContact O-N 2.95Å; D555-R558 PolarHBondContact O-N 3.45Å; D555-R558 IonicContact OD1-CZ 2.88Å; D555-R558 IonicContact OD1-NH1 3.61Å; D555-R558 PolarHBondContact OD1-NH1 3.39Å; D555-R559 WeakPolarHBondContact O-CG 3.48Å; D555-R559 PolarHBondContact O-N 3.36Å; D555-R559 VanDerWaalsContact O-N 3.13Å; D555-R559 PolarHBondContact O-NH1 3.32Å
556A93.7Very high89.1Confident0 Ų028.8 Ų28.80%015%0.153CC..Hα-helixtrans-64.1-43.7172.500000111.4W441 P552 G553 R558 R559 I560 L585 E590W441-A556 HydrophobicContact CB-CB 4.47Å; P552-A556 WeakPolarHBondContact O-CB 3.47Å; P552-A556 PolarHBondContact O-N 3.38Å; G553-A556 PolarHBondContact O-N 3.17Å; A556-R558 PolarHBondContact O-N 3.42Å; A556-R559 PolarHBondContact O-N 3.16Å; A556-I560 PolarHBondContact O-N 2.73Å; A556-L585 HydrophobicContact CB-CD1 4.15Å; A556-L585 HydrophobicContact CB-CD2 4.23Å; A556-E590 HydrophobicContact CB-CG 4.37Å
557L95.3Very high89.5Confident0 Ų028.9 Ų28.90%015%0.147CC..Hα-helixtrans-60.3-44.9176.4-175.859.3000111.9L538 S541 F548 G553 I554 R559 I560 L561 L585L538-L557 HydrophobicContact CD2-CB 3.97Å; L538-L557 HydrophobicContact CD2-CD2 3.87Å; L538-L557 HydrophobicContact CD2-CG 3.69Å; S541-L557 VanDerWaalsContact CB-CD2 3.46Å; S541-L557 WeakPolarHBondContact OG-CD2 3.42Å; F548-L557 HydrophobicContact CD1-CD2 4.47Å; F548-L557 HydrophobicContact CE1-CB 4.38Å; F548-L557 HydrophobicContact CE1-CD2 4.45Å; G553-L557 WeakPolarHBondContact O-CB 3.37Å; G553-L557 PolarHBondContact O-N 3.24Å; I554-L557 PolarHBondContact O-N 3.44Å; L557-R559 VanDerWaalsContact C-N 3.33Å; L557-R559 PolarHBondContact O-N 3.35Å; L557-I560 HydrophobicContact CD1-CD1 4.05Å; L557-I560 HydrophobicContact CD1-CG1 4.2Å; L557-I560 VanDerWaalsContact O-CG1 3.3Å; L557-I560 WeakPolarHBondContact O-CG1 3.35Å; L557-I560 PolarHBondContact O-N 2.86Å; L557-L561 HydrophobicContact CD1-CD1 3.85Å; L557-L561 HydrophobicContact CD1-CG 4.02Å; L557-L561 HydrophobicContact CG-CD1 3.84Å; L557-L561 HydrophobicContact CG-CG 4.41Å; L557-L561 WeakPolarHBondContact O-CB 3.48Å; L557-L561 VanDerWaalsContact O-CG 3.29Å; L557-L561 WeakPolarHBondContact O-CG 3.01Å; L557-L561 PolarHBondContact O-N 2.92Å; L557-L561 VanDerWaalsContact O-N 3.09Å; L557-L585 HydrophobicContact CB-CD1 3.89Å; L557-L585 HydrophobicContact CD1-CD1 4.09Å
558R94.5Very high89.5Confident59 Ų5930.4 Ų30.422%0.22316%0.156CC..Hα-helixtrans-54.4-49.2174.2-177.4-176.4-69103.3-0.4111.3E535 L538 I554 D555 A556 T562E535-R558 VanDerWaalsContact CD-NE 3.3Å; E535-R558 WeakPolarHBondContact OE1-CD 3.39Å; E535-R558 IonicContact OE1-CZ 3.39Å; E535-R558 IonicContact OE1-NE 2.94Å; E535-R558 PolarHBondContact OE1-NE 3.42Å; E535-R558 IonicContact OE1-NH2 3.77Å; E535-R558 IonicContact OE2-CZ 3.62Å; E535-R558 IonicContact OE2-NE 3.73Å; E535-R558 PolarHBondContact OE2-NE 3.15Å; E535-R558 VanDerWaalsContact OE2-NE 3.15Å; E535-R558 IonicContact OE2-NH2 3.18Å; E535-R558 PolarHBondContact OE2-NH2 3.1Å; L538-R558 HydrophobicContact CD1-CB 3.73Å; L538-R558 HydrophobicContact CD1-CG 4.03Å; L538-R558 VanDerWaalsContact CD1-CZ 3.46Å; L538-R558 VanDerWaalsContact CD1-NH2 3.29Å; L538-R558 HydrophobicContact CD2-CB 4.11Å; I554-R558 WeakPolarHBondContact O-CB 3.46Å; I554-R558 PolarHBondContact O-N 3.42Å; D555-R558 PolarHBondContact O-N 3.45Å; D555-R558 IonicContact OD1-CZ 2.88Å; D555-R558 IonicContact OD1-NH1 3.61Å; D555-R558 PolarHBondContact OD1-NH1 3.39Å; A556-R558 PolarHBondContact O-N 3.42Å; R558-T562 WeakPolarHBondContact O-CB 3.47Å; R558-T562 PolarHBondContact O-N 3.18Å; R558-T562 PolarHBondContact O-OG1 2.84Å
559R95Very high89.3Confident35 Ų3533.8 Ų33.813%0.13218%0.178CC..Hα-helixtrans-65-45.3-177.8-72.8-173.2-62.2-91.13.8112.4L439 Y516 L520 D555 A556 L557 L561 T562 A563 E590L439-R559 PolarHBondContact O-NH2 3.17Å; Y516-R559 WeakPolarHBondContact OH-CB 3.38Å; L520-R559 HydrophobicContact CD1-CB 4.15Å; L520-R559 HydrophobicContact CD1-CG 4.39Å; L520-R559 HydrophobicContact CD2-CB 4.28Å; D555-R559 WeakPolarHBondContact O-CG 3.48Å; D555-R559 PolarHBondContact O-N 3.36Å; D555-R559 VanDerWaalsContact O-N 3.13Å; D555-R559 PolarHBondContact O-NH1 3.32Å; A556-R559 PolarHBondContact O-N 3.16Å; L557-R559 VanDerWaalsContact C-N 3.33Å; L557-R559 PolarHBondContact O-N 3.35Å; R559-L561 PolarHBondContact O-N 3.04Å; R559-T562 PolarHBondContact O-N 2.77Å; R559-A563 VanDerWaalsContact O-CB 3.28Å; R559-A563 WeakPolarHBondContact O-CB 3.33Å; R559-A563 PolarHBondContact O-N 3.33Å; R559-E590 IonicContact CZ-OE1 2.64Å; R559-E590 IonicContact CZ-OE2 3.71Å; R559-E590 IonicContact NE-OE1 2.9Å; R559-E590 PolarHBondContact NE-OE1 3.44Å; R559-E590 IonicContact NE-OE2 3.51Å; R559-E590 PolarHBondContact NE-OE2 3.48Å; R559-E590 IonicContact NH2-OE1 2.66Å; R559-E590 IonicContact NH2-OE2 3.25Å; R559-E590 PolarHBondContact NH2-OE2 3.15Å
560I97.1Very high89.1Confident0 Ų030.8 Ų30.80%017%0.167CC..Hα-helixtrans-66.4-39.2-179.465.5163.5000112.4Y516 A556 L557 Y564 L585 E590 A593 F594Y516-I560 HydrophobicContact CE2-CG2 4.39Å; A556-I560 PolarHBondContact O-N 2.73Å; L557-I560 HydrophobicContact CD1-CD1 4.05Å; L557-I560 HydrophobicContact CD1-CG1 4.2Å; L557-I560 VanDerWaalsContact O-CG1 3.3Å; L557-I560 WeakPolarHBondContact O-CG1 3.35Å; L557-I560 PolarHBondContact O-N 2.86Å; I560-Y564 WeakPolarHBondContact O-CB 3.37Å; I560-Y564 PolarHBondContact O-N 2.73Å; I560-L585 HydrophobicContact CD1-CD1 3.65Å; I560-L585 HydrophobicContact CD1-CD2 4.2Å; I560-L585 HydrophobicContact CD1-CG 3.72Å; I560-L585 HydrophobicContact CG1-CD1 4.18Å; I560-L585 HydrophobicContact CG2-CD2 4.26Å; I560-E590 HydrophobicContact CG2-CG 3.69Å; I560-E590 WeakPolarHBondContact CG2-O 3.02Å; I560-A593 HydrophobicContact CD1-CB 4.3Å; I560-F594 HydrophobicContact CB-CB 4.37Å; I560-F594 HydrophobicContact CG2-CB 4.19Å
561L96.3Very high89.7Confident1 Ų127.1 Ų27.11%0.00515%0.15CC..Hα-helixtrans-69.7-41.9178-66.3173.2000111I534 L538 L557 R559 Y564 A565 Y573 M577 N578 L597I534-L561 HydrophobicContact CD1-CB 3.79Å; I534-L561 HydrophobicContact CG1-CB 4.01Å; I534-L561 HydrophobicContact CG1-CD1 4.48Å; I534-L561 HydrophobicContact CG2-CB 4.16Å; I534-L561 HydrophobicContact CG2-CD1 4.06Å; L538-L561 HydrophobicContact CD2-CD1 4.25Å; L557-L561 HydrophobicContact CD1-CD1 3.85Å; L557-L561 HydrophobicContact CD1-CG 4.02Å; L557-L561 HydrophobicContact CG-CD1 3.84Å; L557-L561 HydrophobicContact CG-CG 4.41Å; L557-L561 WeakPolarHBondContact O-CB 3.48Å; L557-L561 VanDerWaalsContact O-CG 3.29Å; L557-L561 WeakPolarHBondContact O-CG 3.01Å; L557-L561 PolarHBondContact O-N 2.92Å; L557-L561 VanDerWaalsContact O-N 3.09Å; R559-L561 PolarHBondContact O-N 3.04Å; L561-Y564 PolarHBondContact O-N 3.12Å; L561-A565 WeakPolarHBondContact O-CB 3.19Å; L561-A565 PolarHBondContact O-N 3.43Å; L561-Y573 HydrophobicContact CD1-CE2 3.97Å; L561-Y573 HydrophobicContact CD2-CD2 4.28Å; L561-Y573 HydrophobicContact CD2-CE2 4.08Å; L561-Y573 HydrophobicContact CG-CE2 4.49Å; L561-M577 HydrophobicContact CD2-CB 3.94Å; L561-N578 HydrophobicContact CD1-CB 3.96Å; L561-L597 HydrophobicContact CD2-CD2 4.03Å
562T94.1Very high90.3Very high23 Ų2325.7 Ų25.714%0.14114%0.136CC..Hα-helixtrans-59.9-50.3174.9-65.80000111L520 L531 R558 R559 Y564 A565 F566L520-T562 HydrophobicContact CD2-CG2 4.35Å; L531-T562 HydrophobicContact CD2-CG2 3.62Å; L531-T562 WeakPolarHBondContact CD2-OG1 3.24Å; R558-T562 WeakPolarHBondContact O-CB 3.47Å; R558-T562 PolarHBondContact O-N 3.18Å; R558-T562 PolarHBondContact O-OG1 2.84Å; R559-T562 PolarHBondContact O-N 2.77Å; T562-Y564 VanDerWaalsContact C-N 3.28Å; T562-Y564 PolarHBondContact O-N 3.13Å; T562-A565 PolarHBondContact O-N 2.91Å; T562-F566 HydrophobicContact CG2-CD2 3.77Å; T562-F566 HydrophobicContact CG2-CE2 3.61Å; T562-F566 WeakPolarHBondContact O-CD2 2.96Å; T562-F566 PolarHBondContact O-N 3.11Å; T562-F566 VanDerWaalsContact O-N 3.12Å
563A95.4Very high90.5Very high0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-58.5-42.4177.500000111.1Y516 L519 L520 R559 F566 R567 F594Y516-A563 HydrophobicContact CD2-CB 3.74Å; Y516-A563 HydrophobicContact CE2-CB 3.45Å; Y516-A563 VanDerWaalsContact CE2-CB 3.45Å; L519-A563 HydrophobicContact CD2-CB 4.26Å; L519-A563 WeakPolarHBondContact CD2-O 3.43Å; L520-A563 HydrophobicContact CD2-CB 3.97Å; L520-A563 HydrophobicContact CG-CB 4.26Å; R559-A563 VanDerWaalsContact O-CB 3.28Å; R559-A563 WeakPolarHBondContact O-CB 3.33Å; R559-A563 PolarHBondContact O-N 3.33Å; A563-F566 PolarHBondContact O-N 3.28Å; A563-R567 WeakPolarHBondContact O-CB 3.2Å; A563-R567 PolarHBondContact O-N 3.36Å; A563-F594 HydrophobicContact CB-CD2 3.83Å; A563-F594 HydrophobicContact CB-CE2 3.72Å
564Y95.4Very high90.4Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-65-45.1177.7-175.9-85.4000112.5I560 L561 T562 F566 R567 N568 I571 M577 L597 V598 C601 E602I560-Y564 WeakPolarHBondContact O-CB 3.37Å; I560-Y564 PolarHBondContact O-N 2.73Å; L561-Y564 PolarHBondContact O-N 3.12Å; T562-Y564 VanDerWaalsContact C-N 3.28Å; T562-Y564 PolarHBondContact O-N 3.13Å; Y564-F566 PolarHBondContact O-N 3.15Å; Y564-R567 WeakPolarHBondContact O-CB 3.42Å; Y564-R567 PolarHBondContact O-N 3.45Å; Y564-N568 PolarHBondContact O-N 3.46Å; Y564-I571 HydrophobicContact CE1-CB 4.19Å; Y564-I571 HydrophobicContact CE1-CG2 3.73Å; Y564-I571 VanDerWaalsContact OH-CD1 3.24Å; Y564-I571 WeakPolarHBondContact OH-CD1 3.28Å; Y564-M577 HydrophobicContact CD1-CE 3.18Å; Y564-M577 HydrophobicContact CE1-CE 3.48Å; Y564-M577 VanDerWaalsContact CE1-CE 3.48Å; Y564-M577 HydrophobicContact CE1-SD 4.47Å; Y564-M577 HydrophobicContact CG-CE 3.9Å; Y564-L597 HydrophobicContact CD2-CD2 4.36Å; Y564-L597 HydrophobicContact CD2-CG 4.2Å; Y564-L597 HydrophobicContact CG-CD2 4.07Å; Y564-L597 HydrophobicContact CG-CG 4.34Å; Y564-V598 HydrophobicContact CD2-CG2 3.87Å; Y564-V598 HydrophobicContact CE2-CG2 4.12Å; Y564-C601 HydrophobicContact CE1-CB 4.27Å; Y564-C601 HydrophobicContact CE2-CB 3.88Å; Y564-C601 VanDerWaalsContact CZ-CB 3.45Å; Y564-C601 WeakPolarHBondContact OH-CB 3.39Å; Y564-E602 HydrophobicContact CE2-CG 4.5Å
565A91.4Very high90Very high6 Ų627 Ų275%0.0514%0.139CC..Hα-helixtrans-57.7-36.2178.600000112.4A530 I534 L561 T562 N568 G572A530-A565 HydrophobicContact CB-CB 4.18Å; I534-A565 HydrophobicContact CD1-CB 4.41Å; L561-A565 WeakPolarHBondContact O-CB 3.19Å; L561-A565 PolarHBondContact O-N 3.43Å; T562-A565 PolarHBondContact O-N 2.91Å; A565-N568 CarbonylContact O-C 3.59Å; A565-G572 WeakPolarHBondContact CA-O 3.1Å
566F89.8Confident89.7Confident38 Ų3824.4 Ų24.417%0.16713%0.126CC..Hα-helixtrans-79.3-30.9174.3-72.6-62000114.1L519 N523 V526 L531 T562 A563 Y564 N568L519-F566 HydrophobicContact CD1-CB 4.15Å; L519-F566 HydrophobicContact CG-CB 4.29Å; N523-F566 HydrophobicContact CB-CD1 4.05Å; N523-F566 HydrophobicContact CB-CD2 3.58Å; N523-F566 HydrophobicContact CB-CE1 4.02Å; N523-F566 HydrophobicContact CB-CE2 3.54Å; N523-F566 HydrophobicContact CB-CG 3.85Å; N523-F566 HydrophobicContact CB-CZ 3.77Å; V526-F566 HydrophobicContact CB-CE1 4.38Å; V526-F566 HydrophobicContact CB-CZ 4.06Å; V526-F566 HydrophobicContact CG1-CE1 4.02Å; V526-F566 HydrophobicContact CG1-CZ 4.1Å; L531-F566 HydrophobicContact CD1-CE2 4.25Å; L531-F566 HydrophobicContact CD1-CZ 4.03Å; L531-F566 HydrophobicContact CD2-CE2 4.13Å; T562-F566 HydrophobicContact CG2-CD2 3.77Å; T562-F566 HydrophobicContact CG2-CE2 3.61Å; T562-F566 WeakPolarHBondContact O-CD2 2.96Å; T562-F566 PolarHBondContact O-N 3.11Å; T562-F566 VanDerWaalsContact O-N 3.12Å; A563-F566 PolarHBondContact O-N 3.28Å; Y564-F566 PolarHBondContact O-N 3.15Å; F566-N568 VanDerWaalsContact C-N 3.34Å
567R89.8Confident89.7Confident49 Ų4924.4 Ų24.419%0.18513%0.126CC..Hα-helixtrans-61.9-45.7175.3170.8-177.5169.794.8-7.6110.6E508 Y515 L519 A563 Y564 F594 E602E508-R567 IonicContact OE1-CZ 3.95Å; E508-R567 IonicContact OE1-NH2 3.92Å; E508-R567 PolarHBondContact OE1-NH2 2.92Å; Y515-R567 HydrophobicContact CE1-CG 4.36Å; L519-R567 HydrophobicContact CD2-CB 3.82Å; A563-R567 WeakPolarHBondContact O-CB 3.2Å; A563-R567 PolarHBondContact O-N 3.36Å; Y564-R567 WeakPolarHBondContact O-CB 3.42Å; Y564-R567 PolarHBondContact O-N 3.45Å; R567-F594 HydrophobicContact CB-CZ 4.46Å; R567-E602 IonicContact CZ-OE1 2.66Å; R567-E602 IonicContact CZ-OE2 2.72Å; R567-E602 IonicContact NE-OE1 2.7Å; R567-E602 PolarHBondContact NE-OE1 2.79Å; R567-E602 IonicContact NE-OE2 3.67Å; R567-E602 IonicContact NH2-OE1 3.76Å; R567-E602 IonicContact NH2-OE2 2.66Å; R567-E602 PolarHBondContact NH2-OE2 3.05Å
568N85.7Confident89.6Confident33 Ų3324.5 Ų24.518%0.17613%0.126CC..  trans-131.382.7-176.6-167.9-18.9000110.8Y564 A565 F566 N570 I571 G572Y564-N568 PolarHBondContact O-N 3.46Å; A565-N568 CarbonylContact O-C 3.59Å; F566-N568 VanDerWaalsContact C-N 3.34Å; N568-N570 PolarHBondContact O-N 3.41Å; N568-N570 VanDerWaalsContact O-N 3.15Å; N568-N570 WeakPolarHBondContact OD1-CB 3.47Å; N568-N570 PolarHBondContact OD1-N 3.24Å; N568-I571 WeakPolarHBondContact ND2-CD1 3.46Å; N568-I571 PolarHBondContact O-N 2.93Å; N568-G572 PolarHBondContact O-N 2.86Å
569P81.6Confident89.4Confident80 Ų8023.1 Ų23.152%0.51912%0.123SC..THydrogen-bonded Turntrans-63.1-19.1-179.1-23.634.7000114.4I571P569-I571 VanDerWaalsContact C-N 3.28Å
570N74.9Confident89.4Confident69 Ų6921.5 Ų21.537%0.36912%0.117SC..THydrogen-bonded Turntrans-68-32.9175.3-69.6-5.8000111.5N568 R854N568-N570 PolarHBondContact O-N 3.41Å; N568-N570 VanDerWaalsContact O-N 3.15Å; N568-N570 WeakPolarHBondContact OD1-CB 3.47Å; N568-N570 PolarHBondContact OD1-N 3.24Å; N570-R854 PolarHBondContact OD1-NH1 3.22Å
571I83.2Confident89.3Confident22 Ų2221.5 Ų21.511%0.11312%0.117CC..THydrogen-bonded Turntrans-89.8-44.8174.2-63.9-177.7000109.2Y564 N568 P569 Y573 Y609Y564-I571 HydrophobicContact CE1-CB 4.19Å; Y564-I571 HydrophobicContact CE1-CG2 3.73Å; Y564-I571 VanDerWaalsContact OH-CD1 3.24Å; Y564-I571 WeakPolarHBondContact OH-CD1 3.28Å; N568-I571 WeakPolarHBondContact ND2-CD1 3.46Å; N568-I571 PolarHBondContact O-N 2.93Å; P569-I571 VanDerWaalsContact C-N 3.28Å; I571-Y573 PolarHBondContact O-N 3.43Å; I571-Y609 WeakPolarHBondContact CG2-O 3.41Å
572G86.9Confident89.2Confident10 Ų1021.5 Ų21.510%0.10312%0.117CC..  trans62.6-121.4-177.400000110.7A565 N568A565-G572 WeakPolarHBondContact CA-O 3.1Å; N568-G572 PolarHBondContact O-N 2.86Å
573Y89.2Confident89.1Confident11 Ų1120.4 Ų20.44%0.04311%0.11CC..  trans-122.5129.9172.5173.1-103.1000109.3E533 I534 D537 L561 I571 M577 N578E533-Y573 HydrophobicContact CB-CD1 3.65Å; E533-Y573 HydrophobicContact CB-CE1 3.97Å; I534-Y573 HydrophobicContact CD1-CD2 4.1Å; I534-Y573 HydrophobicContact CD1-CG 4.12Å; I534-Y573 HydrophobicContact CG1-CD1 3.91Å; I534-Y573 HydrophobicContact CG1-CD2 3.42Å; I534-Y573 VanDerWaalsContact CG1-CD2 3.42Å; I534-Y573 HydrophobicContact CG1-CE1 4.28Å; I534-Y573 HydrophobicContact CG1-CE2 3.85Å; I534-Y573 HydrophobicContact CG1-CG 3.45Å; I534-Y573 VanDerWaalsContact CG1-CG 3.45Å; D537-Y573 HydrophobicContact CB-CE1 4.35Å; D537-Y573 WeakPolarHBondContact CB-OH 3.48Å; D537-Y573 VanDerWaalsContact CG-OH 3.28Å; D537-Y573 VanDerWaalsContact OD2-CE1 3.25Å; D537-Y573 WeakPolarHBondContact OD2-CE1 3.42Å; D537-Y573 PolarHBondContact OD2-OH 3.37Å; L561-Y573 HydrophobicContact CD1-CE2 3.97Å; L561-Y573 HydrophobicContact CD2-CD2 4.28Å; L561-Y573 HydrophobicContact CD2-CE2 4.08Å; L561-Y573 HydrophobicContact CG-CE2 4.49Å; I571-Y573 PolarHBondContact O-N 3.43Å; Y573-M577 HydrophobicContact CD2-CB 4.25Å; Y573-M577 HydrophobicContact CD2-SD 4.32Å; Y573-M577 HydrophobicContact CE2-CB 3.99Å; Y573-N578 HydrophobicContact CE2-CB 4.35Å; Y573-N578 WeakPolarHBondContact OH-CB 3.48Å; Y573-N578 PolarHBondContact OH-OD1 3.11Å
574C86.9Confident89.2Confident15 Ų1520.4 Ų20.410%0.10111%0.11CC..  trans-115.1136.2168.6175.10000108.9A576 M577 Y609C574-A576 PolarHBondContact O-N 3.24Å; C574-M577 HydrophobicContact CB-CG 4.46Å; C574-M577 HydrophobicContact CB-SD 4.06Å; C574-M577 PolarHBondContact N-SD 3.28Å; C574-M577 VanDerWaalsContact O-CB 3.25Å; C574-M577 WeakPolarHBondContact O-CB 3.4Å; C574-M577 WeakPolarHBondContact O-CG 3.33Å; C574-M577 PolarHBondContact O-N 3.17Å; C574-Y609 HydrophobicContact CB-CD1 4.24Å; C574-Y609 WeakPolarHBondContact CB-O 3.28Å
575Q81Confident89.2Confident55 Ų5520.5 Ų20.526%0.25711%0.111SC..THydrogen-bonded Turntrans-52.1140.1169.5176.8170.9-6.400110.2T733Q575-T733 VanDerWaalsContact CD-CG2 3.42Å; Q575-T733 VanDerWaalsContact OE1-CG2 3.28Å
576A87.4Confident89.2Confident7 Ų720.2 Ų20.26%0.05811%0.108CC..THydrogen-bonded Turntrans96.6-27-168.100000113.9C574 N578 I579 V580 Y609 L653 T654C574-A576 PolarHBondContact O-N 3.24Å; A576-N578 PolarHBondContact N-OD1 3.34Å; A576-N578 PolarHBondContact O-N 3Å; A576-I579 PolarHBondContact O-N 2.87Å; A576-I579 VanDerWaalsContact O-N 3.12Å; A576-V580 PolarHBondContact O-N 3.5Å; A576-V580 VanDerWaalsContact O-N 3.15Å; A576-Y609 HydrophobicContact CB-CE1 4.35Å; A576-L653 HydrophobicContact CB-CB 4.22Å; A576-T654 HydrophobicContact CB-CG2 3.87Å
577M92.4Very high89.4Confident0 Ų018.8 Ų18.80%010%0.102CC..Hα-helixtrans-61.7-33.2175.1-70.3172.764.500112.4L561 Y564 Y573 C574 I579 V580 G581 L597 Y609L561-M577 HydrophobicContact CD2-CB 3.94Å; Y564-M577 HydrophobicContact CD1-CE 3.18Å; Y564-M577 HydrophobicContact CE1-CE 3.48Å; Y564-M577 VanDerWaalsContact CE1-CE 3.48Å; Y564-M577 HydrophobicContact CE1-SD 4.47Å; Y564-M577 HydrophobicContact CG-CE 3.9Å; Y573-M577 HydrophobicContact CD2-CB 4.25Å; Y573-M577 HydrophobicContact CD2-SD 4.32Å; Y573-M577 HydrophobicContact CE2-CB 3.99Å; C574-M577 HydrophobicContact CB-CG 4.46Å; C574-M577 HydrophobicContact CB-SD 4.06Å; C574-M577 PolarHBondContact N-SD 3.28Å; C574-M577 VanDerWaalsContact O-CB 3.25Å; C574-M577 WeakPolarHBondContact O-CB 3.4Å; C574-M577 WeakPolarHBondContact O-CG 3.33Å; C574-M577 PolarHBondContact O-N 3.17Å; M577-I579 VanDerWaalsContact C-N 3.32Å; M577-I579 PolarHBondContact O-N 3.08Å; M577-V580 PolarHBondContact O-N 2.96Å; M577-G581 WeakPolarHBondContact O-CA 3.41Å; M577-G581 PolarHBondContact O-N 3.3Å; M577-L597 HydrophobicContact CE-CD1 4.3Å; M577-L597 HydrophobicContact CE-CD2 4.11Å; M577-L597 HydrophobicContact CE-CG 4.4Å; M577-Y609 HydrophobicContact CG-CD1 3.6Å; M577-Y609 HydrophobicContact CG-CE1 4.13Å; M577-Y609 HydrophobicContact CG-CG 3.95Å; M577-Y609 HydrophobicContact SD-CD1 4.48Å; M577-Y609 HydrophobicContact SD-CG 4.39Å
578N92.9Very high89.7Confident1 Ų116.4 Ų16.41%0.0059%0.093CC..Hα-helixtrans-62.4-38.3175.667.7-52.6000112.7D537 S541 L561 Y573 A576 S582D537-N578 HydrophobicContact CB-CB 4.45Å; D537-N578 PolarHBondContact O-ND2 3.5Å; S541-N578 WeakPolarHBondContact OG-CB 3.33Å; S541-N578 PolarHBondContact OG-ND2 3.32Å; L561-N578 HydrophobicContact CD1-CB 3.96Å; Y573-N578 HydrophobicContact CE2-CB 4.35Å; Y573-N578 WeakPolarHBondContact OH-CB 3.48Å; Y573-N578 PolarHBondContact OH-OD1 3.11Å; A576-N578 PolarHBondContact N-OD1 3.34Å; A576-N578 PolarHBondContact O-N 3Å; N578-S582 VanDerWaalsContact O-CB 3.28Å; N578-S582 WeakPolarHBondContact O-CB 3.43Å; N578-S582 PolarHBondContact O-N 3.29Å; N578-S582 PolarHBondContact O-OG 2.96Å
579I91.4Very high90.2Very high30 Ų3019.3 Ų19.315%0.15410%0.104CC..Hα-helixtrans-67.4-52.3176.6-60174.1000109.4A576 M577 G581 S582 V583 T654 L657A576-I579 PolarHBondContact O-N 2.87Å; A576-I579 VanDerWaalsContact O-N 3.12Å; M577-I579 VanDerWaalsContact C-N 3.32Å; M577-I579 PolarHBondContact O-N 3.08Å; I579-G581 PolarHBondContact O-N 3.3Å; I579-S582 PolarHBondContact O-N 2.96Å; I579-S582 PolarHBondContact O-OG 3.14Å; I579-V583 PolarHBondContact O-N 3.17Å; I579-T654 HydrophobicContact CD1-CG2 3.96Å; I579-L657 HydrophobicContact CG2-CB 3.94Å; I579-L657 HydrophobicContact CG2-CD1 4.33Å
580V93.8Very high90.8Very high2 Ų215.5 Ų15.51%0.0128%0.079CC..Hα-helixtrans-58.7-52.7178.5179.10000110.3A576 M577 S582 V583 L584 L657A576-V580 PolarHBondContact O-N 3.5Å; A576-V580 VanDerWaalsContact O-N 3.15Å; M577-V580 PolarHBondContact O-N 2.96Å; V580-S582 VanDerWaalsContact C-N 3.3Å; V580-S582 PolarHBondContact O-N 3.04Å; V580-V583 PolarHBondContact O-N 3.05Å; V580-L584 HydrophobicContact CG1-CD1 4.15Å; V580-L584 HydrophobicContact CG1-CG 4.32Å; V580-L584 WeakPolarHBondContact O-CG 3.45Å; V580-L584 PolarHBondContact O-N 3.04Å; V580-L657 HydrophobicContact CG2-CD1 4.24Å
581G95.4Very high91.8Very high0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-56.9-38.8-179.700000113.6M577 I579 V583 L584 L585M577-G581 WeakPolarHBondContact O-CA 3.41Å; M577-G581 PolarHBondContact O-N 3.3Å; I579-G581 PolarHBondContact O-N 3.3Å; G581-V583 VanDerWaalsContact C-N 3.33Å; G581-V583 PolarHBondContact O-N 3.46Å; G581-L584 PolarHBondContact O-N 3.49Å; G581-L585 WeakPolarHBondContact O-CG 3.36Å; G581-L585 PolarHBondContact O-N 2.98Å; G581-L585 VanDerWaalsContact O-N 3.09Å
582S93.6Very high92.5Very high0 Ų014.6 Ų14.60%07%0.072CC..Hα-helixtrans-60.9-41.9175.573.20000112F548 N578 I579 V580 L585 L586F548-S582 WeakPolarHBondContact CE2-O 3.3Å; F548-S582 WeakPolarHBondContact CZ-O 3.35Å; N578-S582 VanDerWaalsContact O-CB 3.28Å; N578-S582 WeakPolarHBondContact O-CB 3.43Å; N578-S582 PolarHBondContact O-N 3.29Å; N578-S582 PolarHBondContact O-OG 2.96Å; I579-S582 PolarHBondContact O-N 2.96Å; I579-S582 PolarHBondContact O-OG 3.14Å; V580-S582 VanDerWaalsContact C-N 3.3Å; V580-S582 PolarHBondContact O-N 3.04Å; S582-L585 PolarHBondContact O-N 3.39Å; S582-L586 PolarHBondContact O-N 2.76Å
583V93.8Very high93.1Very high0 Ų014.1 Ų14.10%07%0.067CC..Hα-helixtrans-70-36.9178.3178.80000111.6W499 L542 I579 V580 G581 L585 L586 F587 L657 F662 V666 L669W499-V583 HydrophobicContact CH2-CG1 4.41Å; L542-V583 HydrophobicContact CD2-CG2 4.43Å; I579-V583 PolarHBondContact O-N 3.17Å; V580-V583 PolarHBondContact O-N 3.05Å; G581-V583 VanDerWaalsContact C-N 3.33Å; G581-V583 PolarHBondContact O-N 3.46Å; V583-L585 VanDerWaalsContact C-N 3.35Å; V583-L585 PolarHBondContact O-N 3.12Å; V583-L586 WeakPolarHBondContact O-CB 3.09Å; V583-L586 PolarHBondContact O-N 3.06Å; V583-F587 HydrophobicContact CG1-CD2 4.39Å; V583-F587 HydrophobicContact CG1-CE2 3.97Å; V583-F587 VanDerWaalsContact O-CD2 3.28Å; V583-F587 WeakPolarHBondContact O-CD2 3.44Å; V583-L657 HydrophobicContact CB-CD1 4.13Å; V583-L657 HydrophobicContact CB-CD2 4.47Å; V583-L657 HydrophobicContact CG1-CD2 4.2Å; V583-L657 HydrophobicContact CG2-CD1 3.81Å; V583-L657 HydrophobicContact CG2-CD2 3.93Å; V583-L657 HydrophobicContact CG2-CG 4.43Å; V583-F662 HydrophobicContact CG1-CE2 4.05Å; V583-F662 HydrophobicContact CG2-CD2 4.41Å; V583-F662 HydrophobicContact CG2-CE2 4.01Å; V583-V666 HydrophobicContact CG1-CG2 4.19Å; V583-L669 HydrophobicContact CG1-CD1 3.73Å
584L96.2Very high93.5Very high1 Ų113.6 Ų13.61%0.0057%0.065CC..Hα-helixtrans-61.3-43.3175.9-57.2178.8000111.8W499 V580 G581 L586 F587 T588 A593 L596 L597 F673W499-L584 HydrophobicContact CE3-CD2 4.27Å; W499-L584 HydrophobicContact CZ3-CD2 4.09Å; V580-L584 HydrophobicContact CG1-CD1 4.15Å; V580-L584 HydrophobicContact CG1-CG 4.32Å; V580-L584 WeakPolarHBondContact O-CG 3.45Å; V580-L584 PolarHBondContact O-N 3.04Å; G581-L584 PolarHBondContact O-N 3.49Å; L584-L586 PolarHBondContact O-N 3.32Å; L584-F587 PolarHBondContact O-N 3.11Å; L584-T588 PolarHBondContact O-N 2.81Å; L584-T588 VanDerWaalsContact O-N 3.12Å; L584-T588 PolarHBondContact O-OG1 3.35Å; L584-A593 HydrophobicContact CB-CB 4.04Å; L584-L596 HydrophobicContact CD1-CB 3.77Å; L584-L596 HydrophobicContact CD2-CB 4.18Å; L584-L596 HydrophobicContact CD2-CD1 4.13Å; L584-L596 HydrophobicContact CG-CB 4.4Å; L584-L597 HydrophobicContact CD1-CB 4.09Å; L584-F673 HydrophobicContact CD2-CE2 4.2Å; L584-F673 HydrophobicContact CD2-CZ 3.65Å
585L95.2Very high94Very high1 Ų112.9 Ų12.91%0.0056%0.061CC..Hα-helixtrans-64-21.6177.9-76.4169.6000113.9L445 F548 A556 L557 I560 G581 S582 V583 E590 A593L445-L585 WeakPolarHBondContact CB-O 3.31Å; L445-L585 HydrophobicContact CD1-CB 3.77Å; L445-L585 WeakPolarHBondContact CG-O 3.19Å; L445-L585 PolarHBondContact N-O 3.43Å; L445-L585 VanDerWaalsContact N-O 3.13Å; F548-L585 HydrophobicContact CE1-CD1 4.41Å; F548-L585 HydrophobicContact CZ-CB 4.34Å; A556-L585 HydrophobicContact CB-CD1 4.15Å; A556-L585 HydrophobicContact CB-CD2 4.23Å; L557-L585 HydrophobicContact CB-CD1 3.89Å; L557-L585 HydrophobicContact CD1-CD1 4.09Å; I560-L585 HydrophobicContact CD1-CD1 3.65Å; I560-L585 HydrophobicContact CD1-CD2 4.2Å; I560-L585 HydrophobicContact CD1-CG 3.72Å; I560-L585 HydrophobicContact CG1-CD1 4.18Å; I560-L585 HydrophobicContact CG2-CD2 4.26Å; G581-L585 WeakPolarHBondContact O-CG 3.36Å; G581-L585 PolarHBondContact O-N 2.98Å; G581-L585 VanDerWaalsContact O-N 3.09Å; S582-L585 PolarHBondContact O-N 3.39Å; V583-L585 VanDerWaalsContact C-N 3.35Å; V583-L585 PolarHBondContact O-N 3.12Å; L585-E590 HydrophobicContact CD2-CB 4.42Å; L585-E590 HydrophobicContact CD2-CG 4.32Å; L585-A593 HydrophobicContact CD2-CB 3.63Å; L585-A593 HydrophobicContact CG-CB 3.94Å
586L92.8Very high94.8Very high0 Ų010.2 Ų10.20%05%0.048CC..Hα-helixtrans-66.7-39.4174.8-66.1-178.7000111.8P444 L445 I446 L542 H545 A547 F548 S582 V583 L584 F662P444-L586 WeakPolarHBondContact CB-O 3.45Å; L445-L586 HydrophobicContact CB-CD2 4.02Å; L445-L586 PolarHBondContact N-O 3.33Å; I446-L586 WeakPolarHBondContact CB-O 3.4Å; I446-L586 WeakPolarHBondContact CG2-O 3.33Å; I446-L586 PolarHBondContact N-O 2.89Å; L542-L586 HydrophobicContact CD2-CD1 3.66Å; H545-L586 WeakPolarHBondContact CE1-CD2 3.23Å; A547-L586 HydrophobicContact CB-CD2 4.31Å; F548-L586 HydrophobicContact CE2-CD2 3.74Å; F548-L586 HydrophobicContact CE2-CG 4.09Å; F548-L586 HydrophobicContact CZ-CD2 4.27Å; S582-L586 PolarHBondContact O-N 2.76Å; V583-L586 WeakPolarHBondContact O-CB 3.09Å; V583-L586 PolarHBondContact O-N 3.06Å; L584-L586 PolarHBondContact O-N 3.32Å; L586-F662 HydrophobicContact CD1-CE1 4.45Å; L586-F662 HydrophobicContact CD1-CE2 3.59Å; L586-F662 HydrophobicContact CD1-CZ 3.38Å
587F93.9Very high95.3Very high8 Ų810 Ų104%0.0355%0.046CC..Hα-helixtrans-107.9-4.9-169.3-55.9-71.8000114.4I446 L492 R495 G496 W499 V583 L584 F662 V666I446-F587 HydrophobicContact CD1-CD1 4.18Å; I446-F587 HydrophobicContact CD1-CE1 3.54Å; I446-F587 HydrophobicContact CD1-CZ 4.15Å; I446-F587 HydrophobicContact CG2-CD1 4.45Å; L492-F587 HydrophobicContact CD1-CD1 4.06Å; L492-F587 HydrophobicContact CD1-CE1 3.58Å; R495-F587 HydrophobicContact CB-CD1 4.48Å; R495-F587 HydrophobicContact CG-CB 4.44Å; R495-F587 HydrophobicContact CG-CD1 4.42Å; R495-F587 HydrophobicContact CG-CG 4.33Å; G496-F587 WeakPolarHBondContact CA-O 3.49Å; W499-F587 HydrophobicContact CE3-CB 4.45Å; W499-F587 AromaticContact CH2-CD2 3.45Å; W499-F587 HydrophobicContact CH2-CD2 3.45Å; W499-F587 VanDerWaalsContact CH2-CD2 3.45Å; W499-F587 AromaticContact CH2-CE2 3.86Å; W499-F587 HydrophobicContact CH2-CE2 3.86Å; W499-F587 HydrophobicContact CH2-CG 4.25Å; W499-F587 HydrophobicContact CZ2-CD2 4.41Å; W499-F587 HydrophobicContact CZ3-CB 4.15Å; W499-F587 AromaticContact CZ3-CD2 3.55Å; W499-F587 HydrophobicContact CZ3-CD2 3.55Å; W499-F587 HydrophobicContact CZ3-CE2 4.37Å; W499-F587 HydrophobicContact CZ3-CG 4.2Å; V583-F587 HydrophobicContact CG1-CD2 4.39Å; V583-F587 HydrophobicContact CG1-CE2 3.97Å; V583-F587 VanDerWaalsContact O-CD2 3.28Å; V583-F587 WeakPolarHBondContact O-CD2 3.44Å; L584-F587 PolarHBondContact O-N 3.11Å; F587-F662 AromaticContact CE2-CZ 4Å; F587-F662 HydrophobicContact CE2-CZ 4Å; F587-F662 HydrophobicContact CZ-CE1 4.31Å; F587-F662 AromaticContact CZ-CZ 3.77Å; F587-F662 HydrophobicContact CZ-CZ 3.77Å; F587-V666 HydrophobicContact CE2-CG1 3.94Å; F587-V666 HydrophobicContact CE2-CG2 3.77Å; F587-V666 HydrophobicContact CZ-CG1 3.83Å; F587-V666 HydrophobicContact CZ-CG2 3.9Å
588T95.8Very high95.5Very high0 Ų010 Ų100%05%0.046CC..SBendtrans-136.4164.9-177.758.20000112.2P444 G496 M500 L584 E592 A593 L596P444-T588 WeakPolarHBondContact CA-O 3.18Å; G496-T588 VanDerWaalsContact CA-CG2 3.5Å; M500-T588 HydrophobicContact CG-CG2 4.39Å; L584-T588 PolarHBondContact O-N 2.81Å; L584-T588 VanDerWaalsContact O-N 3.12Å; L584-T588 PolarHBondContact O-OG1 3.35Å; T588-E592 HydrophobicContact CG2-CB 4.38Å; T588-A593 WeakPolarHBondContact OG1-CA 3.47Å; T588-A593 WeakPolarHBondContact OG1-CB 3.48Å; T588-A593 PolarHBondContact OG1-N 2.9Å; T588-L596 HydrophobicContact CG2-CD1 3.62Å
589K95.1Very high95.6Very high93 Ų939.9 Ų9.940%0.4045%0.046SC..  trans-67.6162.7169.8-56.8178-176.7165.60110.6D442 E591 E592 A593D442-K589 VanDerWaalsContact O-CD 3.3Å; D442-K589 WeakPolarHBondContact O-CD 2.82Å; D442-K589 VanDerWaalsContact O-CE 3.31Å; D442-K589 WeakPolarHBondContact O-CE 3.46Å; D442-K589 WeakPolarHBondContact O-CG 3.3Å; K589-E591 PolarHBondContact O-N 3.36Å; K589-E592 HydrophobicContact CB-CB 4.32Å; K589-E592 HydrophobicContact CB-CG 4.06Å; K589-E592 WeakPolarHBondContact CG-OE2 3.23Å; K589-E592 PolarHBondContact N-OE2 2.92Å; K589-E592 WeakPolarHBondContact O-CB 3.47Å; K589-E592 PolarHBondContact O-N 2.92Å; K589-E592 VanDerWaalsContact O-N 3.12Å; K589-A593 PolarHBondContact O-N 3.3Å
590E95.8Very high95.8Very high0 Ų08.5 Ų8.50%04%0.039CC..Hα-helixtrans-56.7-48.2-176.6-169.6-179.6130.900113.5I440 W441 Y516 A556 R559 I560 L585 E592 A593 F594I440-E590 HydrophobicContact CG2-CB 4.18Å; W441-E590 HydrophobicContact CB-CB 4.16Å; W441-E590 WeakPolarHBondContact CB-OE2 3.34Å; W441-E590 PolarHBondContact N-OE2 3.46Å; W441-E590 WeakPolarHBondContact O-CB 2.89Å; W441-E590 PolarHBondContact O-N 3.32Å; Y516-E590 HydrophobicContact CE1-CG 4.27Å; Y516-E590 WeakPolarHBondContact OH-CG 3.37Å; Y516-E590 PolarHBondContact OH-OE1 3.49Å; A556-E590 HydrophobicContact CB-CG 4.37Å; R559-E590 IonicContact CZ-OE1 2.64Å; R559-E590 IonicContact CZ-OE2 3.71Å; R559-E590 IonicContact NE-OE1 2.9Å; R559-E590 PolarHBondContact NE-OE1 3.44Å; R559-E590 IonicContact NE-OE2 3.51Å; R559-E590 PolarHBondContact NE-OE2 3.48Å; R559-E590 IonicContact NH2-OE1 2.66Å; R559-E590 IonicContact NH2-OE2 3.25Å; R559-E590 PolarHBondContact NH2-OE2 3.15Å; I560-E590 HydrophobicContact CG2-CG 3.69Å; I560-E590 WeakPolarHBondContact CG2-O 3.02Å; L585-E590 HydrophobicContact CD2-CB 4.42Å; L585-E590 HydrophobicContact CD2-CG 4.32Å; E590-E592 VanDerWaalsContact C-N 3.34Å; E590-E592 PolarHBondContact O-N 3.28Å; E590-A593 PolarHBondContact O-N 3.43Å; E590-F594 PolarHBondContact O-N 3.33Å; E590-F594 VanDerWaalsContact O-N 3.1Å
591E96.2Very high95.8Very high30 Ų308.5 Ų8.514%0.144%0.038CC..Hα-helixtrans-66.8-35.4178.2-177.4167-168.900111.9M509 Y516 R517 K589 F594 W595M509-E591 HydrophobicContact SD-CG 4.27Å; Y516-E591 HydrophobicContact CD1-CB 3.99Å; Y516-E591 HydrophobicContact CD1-CG 4.12Å; Y516-E591 HydrophobicContact CG-CB 4.46Å; Y516-E591 HydrophobicContact CG-CG 4.19Å; R517-E591 IonicContact CZ-OE2 3.52Å; R517-E591 IonicContact NH1-OE1 3.11Å; R517-E591 IonicContact NH1-OE2 3.78Å; R517-E591 PolarHBondContact NH1-OE2 3.37Å; R517-E591 IonicContact NH2-OE2 3.64Å; R517-E591 PolarHBondContact NH2-OE2 3.46Å; K589-E591 PolarHBondContact O-N 3.36Å; E591-F594 WeakPolarHBondContact O-CB 3.34Å; E591-F594 PolarHBondContact O-N 2.79Å; E591-W595 PolarHBondContact O-N 3.46Å; E591-W595 VanDerWaalsContact O-N 3.15Å
592E97.4Very high95.5Very high42 Ų429.4 Ų9.420%0.1964%0.043CC..Hα-helixtrans-67.1-41.7176.1-65.5173.5170.300111.2M500 M509 T588 K589 E590 F594 W595 L596M500-E592 HydrophobicContact CE-CB 3.93Å; M500-E592 HydrophobicContact CE-CG 3.99Å; M500-E592 HydrophobicContact CG-CB 4.37Å; M500-E592 HydrophobicContact SD-CB 3.84Å; M500-E592 HydrophobicContact SD-CG 4.44Å; M509-E592 HydrophobicContact CE-CG 4.26Å; M509-E592 HydrophobicContact SD-CG 4.09Å; T588-E592 HydrophobicContact CG2-CB 4.38Å; K589-E592 HydrophobicContact CB-CB 4.32Å; K589-E592 HydrophobicContact CB-CG 4.06Å; K589-E592 WeakPolarHBondContact CG-OE2 3.23Å; K589-E592 PolarHBondContact N-OE2 2.92Å; K589-E592 WeakPolarHBondContact O-CB 3.47Å; K589-E592 PolarHBondContact O-N 2.92Å; K589-E592 VanDerWaalsContact O-N 3.12Å; E590-E592 VanDerWaalsContact C-N 3.34Å; E590-E592 PolarHBondContact O-N 3.28Å; E592-F594 VanDerWaalsContact C-N 3.3Å; E592-F594 PolarHBondContact O-N 3.31Å; E592-W595 PolarHBondContact O-N 2.81Å; E592-W595 VanDerWaalsContact O-N 3.14Å; E592-L596 PolarHBondContact O-N 2.82Å
593A98Very high95.4Very high0 Ų011 Ų110%05%0.048CC..Hα-helixtrans-61.2-39.7175.400000111.6I560 L584 L585 T588 K589 E590 L596 L597I560-A593 HydrophobicContact CD1-CB 4.3Å; L584-A593 HydrophobicContact CB-CB 4.04Å; L585-A593 HydrophobicContact CD2-CB 3.63Å; L585-A593 HydrophobicContact CG-CB 3.94Å; T588-A593 WeakPolarHBondContact OG1-CA 3.47Å; T588-A593 WeakPolarHBondContact OG1-CB 3.48Å; T588-A593 PolarHBondContact OG1-N 2.9Å; K589-A593 PolarHBondContact O-N 3.3Å; E590-A593 PolarHBondContact O-N 3.43Å; A593-L596 PolarHBondContact O-N 2.97Å; A593-L597 WeakPolarHBondContact O-CB 3.31Å; A593-L597 PolarHBondContact O-N 2.98Å
594F97.9Very high95.3Very high0 Ų011.4 Ų11.40%05%0.051CC..Hα-helixtrans-58.3-47.9171.9165.1-99.4000111.6Y515 Y516 L519 I560 A563 R567 E590 E591 E592 L596 L597 V598Y515-F594 HydrophobicContact CD1-CE1 4.2Å; Y515-F594 HydrophobicContact CD1-CZ 4.33Å; Y515-F594 HydrophobicContact CE1-CE1 4.42Å; Y515-F594 HydrophobicContact CE1-CZ 4.13Å; Y516-F594 HydrophobicContact CD2-CB 3.87Å; Y516-F594 AromaticContact CD2-CD1 3.73Å; Y516-F594 HydrophobicContact CD2-CD1 3.73Å; Y516-F594 AromaticContact CD2-CD2 3.85Å; Y516-F594 HydrophobicContact CD2-CD2 3.85Å; Y516-F594 HydrophobicContact CD2-CE1 4.21Å; Y516-F594 HydrophobicContact CD2-CE2 4.31Å; Y516-F594 AromaticContact CD2-CG 3.52Å; Y516-F594 HydrophobicContact CD2-CG 3.52Å; Y516-F594 HydrophobicContact CD2-CZ 4.47Å; Y516-F594 HydrophobicContact CE2-CB 3.9Å; Y516-F594 HydrophobicContact CE2-CD2 4.06Å; Y516-F594 AromaticContact CE2-CG 3.92Å; Y516-F594 HydrophobicContact CE2-CG 3.92Å; Y516-F594 HydrophobicContact CG-CD1 4.28Å; Y516-F594 HydrophobicContact CG-CG 4.41Å; L519-F594 HydrophobicContact CD2-CZ 4.36Å; I560-F594 HydrophobicContact CB-CB 4.37Å; I560-F594 HydrophobicContact CG2-CB 4.19Å; A563-F594 HydrophobicContact CB-CD2 3.83Å; A563-F594 HydrophobicContact CB-CE2 3.72Å; R567-F594 HydrophobicContact CB-CZ 4.46Å; E590-F594 PolarHBondContact O-N 3.33Å; E590-F594 VanDerWaalsContact O-N 3.1Å; E591-F594 WeakPolarHBondContact O-CB 3.34Å; E591-F594 PolarHBondContact O-N 2.79Å; E592-F594 VanDerWaalsContact C-N 3.3Å; E592-F594 PolarHBondContact O-N 3.31Å; F594-L596 PolarHBondContact O-N 3.35Å; F594-L597 WeakPolarHBondContact O-CB 3.22Å; F594-L597 PolarHBondContact O-N 3.48Å; F594-V598 HydrophobicContact CE1-CG2 4.13Å; F594-V598 HydrophobicContact CE2-CG2 4.12Å; F594-V598 HydrophobicContact CZ-CG2 3.92Å; F594-V598 WeakPolarHBondContact O-CG2 3.48Å; F594-V598 PolarHBondContact O-N 3.41Å
595W97.6Very high95.1Very high0 Ų011.3 Ų11.30%05%0.05CC..Hα-helixtrans-70-30179.3-73.5110.2000113.7M500 A505 E508 M509 N512 Y515 E591 E592 V598 A599M500-W595 HydrophobicContact CE-CB 4.38Å; A505-W595 HydrophobicContact CB-CB 4.07Å; A505-W595 WeakPolarHBondContact CB-O 3.35Å; E508-W595 HydrophobicContact CB-CE3 4.2Å; E508-W595 HydrophobicContact CB-CZ3 4.31Å; E508-W595 HydrophobicContact CG-CE3 3.84Å; E508-W595 HydrophobicContact CG-CH2 4.24Å; E508-W595 HydrophobicContact CG-CZ3 3.48Å; E508-W595 VanDerWaalsContact CG-CZ3 3.48Å; M509-W595 HydrophobicContact CB-CB 4.37Å; M509-W595 VanDerWaalsContact CB-CD1 3.44Å; M509-W595 HydrophobicContact CB-CD2 4.09Å; M509-W595 HydrophobicContact CB-CG 3.73Å; M509-W595 HydrophobicContact CG-CG 4.15Å; N512-W595 HydrophobicContact CB-CH2 3.56Å; N512-W595 HydrophobicContact CB-CZ2 3.53Å; Y515-W595 HydrophobicContact CD1-CH2 4.04Å; Y515-W595 AromaticContact CD1-CZ2 3.98Å; Y515-W595 HydrophobicContact CD1-CZ2 3.98Å; Y515-W595 HydrophobicContact CG-CH2 4.48Å; Y515-W595 HydrophobicContact CG-CZ2 4.35Å; E591-W595 PolarHBondContact O-N 3.46Å; E591-W595 VanDerWaalsContact O-N 3.15Å; E592-W595 PolarHBondContact O-N 2.81Å; E592-W595 VanDerWaalsContact O-N 3.14Å; W595-V598 HydrophobicContact CE3-CB 4.22Å; W595-V598 HydrophobicContact CE3-CG1 4.16Å; W595-V598 HydrophobicContact CE3-CG2 4.29Å; W595-V598 HydrophobicContact CZ3-CG1 4.31Å; W595-V598 PolarHBondContact O-N 3.31Å; W595-A599 PolarHBondContact O-N 3.17Å
596L98.2Very high94.6Very high0 Ų013.7 Ų13.70%07%0.066CC..Hα-helixtrans-65.3-43.4168.2-77175.2000111.4W499 M500 S503 A505 L584 T588 E592 A593 F594 V598 A599 V600 F673W499-L596 HydrophobicContact CB-CD1 4.16Å; W499-L596 HydrophobicContact CB-CD2 4.16Å; W499-L596 HydrophobicContact CE3-CD1 4.21Å; M500-L596 HydrophobicContact CG-CD1 4.47Å; M500-L596 HydrophobicContact CG-CG 4.44Å; M500-L596 HydrophobicContact SD-CD1 4.09Å; M500-L596 HydrophobicContact SD-CD2 3.95Å; M500-L596 HydrophobicContact SD-CG 3.56Å; M500-L596 VanDerWaalsContact SD-CG 3.56Å; S503-L596 VanDerWaalsContact OG-CD2 3.29Å; S503-L596 WeakPolarHBondContact OG-CD2 3.29Å; A505-L596 HydrophobicContact CB-CD2 3.97Å; A505-L596 HydrophobicContact CB-CG 4.4Å; L584-L596 HydrophobicContact CD1-CB 3.77Å; L584-L596 HydrophobicContact CD2-CB 4.18Å; L584-L596 HydrophobicContact CD2-CD1 4.13Å; L584-L596 HydrophobicContact CG-CB 4.4Å; T588-L596 HydrophobicContact CG2-CD1 3.62Å; E592-L596 PolarHBondContact O-N 2.82Å; A593-L596 PolarHBondContact O-N 2.97Å; F594-L596 PolarHBondContact O-N 3.35Å; L596-V598 VanDerWaalsContact C-N 3.29Å; L596-V598 PolarHBondContact O-N 3.47Å; L596-A599 WeakPolarHBondContact O-CB 3.43Å; L596-A599 PolarHBondContact O-N 2.97Å; L596-A599 VanDerWaalsContact O-N 3.1Å; L596-V600 WeakPolarHBondContact O-CG2 3.27Å; L596-V600 PolarHBondContact O-N 3.5Å; L596-F673 HydrophobicContact CD2-CD1 4.28Å; L596-F673 HydrophobicContact CD2-CE1 3.89Å; L596-F673 HydrophobicContact CD2-CZ 4.18Å
597L97.4Very high94.2Very high1 Ų114.5 Ų14.51%0.0057%0.07CC..Hα-helixtrans-60.4-42.3175.8-176.263.9000110.9L561 Y564 M577 L584 A593 F594 A599 V600 C601L561-L597 HydrophobicContact CD2-CD2 4.03Å; Y564-L597 HydrophobicContact CD2-CD2 4.36Å; Y564-L597 HydrophobicContact CD2-CG 4.2Å; Y564-L597 HydrophobicContact CG-CD2 4.07Å; Y564-L597 HydrophobicContact CG-CG 4.34Å; M577-L597 HydrophobicContact CE-CD1 4.3Å; M577-L597 HydrophobicContact CE-CD2 4.11Å; M577-L597 HydrophobicContact CE-CG 4.4Å; L584-L597 HydrophobicContact CD1-CB 4.09Å; A593-L597 WeakPolarHBondContact O-CB 3.31Å; A593-L597 PolarHBondContact O-N 2.98Å; F594-L597 WeakPolarHBondContact O-CB 3.22Å; F594-L597 PolarHBondContact O-N 3.48Å; L597-A599 PolarHBondContact O-N 2.95Å; L597-V600 PolarHBondContact O-N 3.16Å; L597-C601 PolarHBondContact O-N 3.25Å; L597-C601 PolarHBondContact O-SG 2.92Å; L597-C601 VanDerWaalsContact O-SG 3.37Å
598V96.1Very high93.8Very high0 Ų014.3 Ų14.30%07%0.069CC..Hα-helixtrans-56-48.9171171.50000111.3Y564 F594 W595 L596 V600 C601 E602Y564-V598 HydrophobicContact CD2-CG2 3.87Å; Y564-V598 HydrophobicContact CE2-CG2 4.12Å; F594-V598 HydrophobicContact CE1-CG2 4.13Å; F594-V598 HydrophobicContact CE2-CG2 4.12Å; F594-V598 HydrophobicContact CZ-CG2 3.92Å; F594-V598 WeakPolarHBondContact O-CG2 3.48Å; F594-V598 PolarHBondContact O-N 3.41Å; W595-V598 HydrophobicContact CE3-CB 4.22Å; W595-V598 HydrophobicContact CE3-CG1 4.16Å; W595-V598 HydrophobicContact CE3-CG2 4.29Å; W595-V598 HydrophobicContact CZ3-CG1 4.31Å; W595-V598 PolarHBondContact O-N 3.31Å; L596-V598 VanDerWaalsContact C-N 3.29Å; L596-V598 PolarHBondContact O-N 3.47Å; V598-V600 VanDerWaalsContact C-N 3.33Å; V598-V600 PolarHBondContact O-N 3.3Å; V598-C601 PolarHBondContact O-N 3.37Å; V598-E602 HydrophobicContact CG1-CG 4.46Å; V598-E602 VanDerWaalsContact O-CB 3.27Å; V598-E602 WeakPolarHBondContact O-CB 3.26Å; V598-E602 PolarHBondContact O-N 2.83Å
599A96.1Very high93.3Very high0 Ų014.4 Ų14.40%07%0.07CC..Hα-helixtrans-60.8-41.817800000112.4A505 W595 L596 L597 R603 L604A505-A599 HydrophobicContact CB-CB 4.29Å; W595-A599 PolarHBondContact O-N 3.17Å; L596-A599 WeakPolarHBondContact O-CB 3.43Å; L596-A599 PolarHBondContact O-N 2.97Å; L596-A599 VanDerWaalsContact O-N 3.1Å; L597-A599 PolarHBondContact O-N 2.95Å; A599-R603 VanDerWaalsContact CB-NH2 3.32Å; A599-R603 WeakPolarHBondContact O-CA 3.46Å; A599-R603 WeakPolarHBondContact O-CB 3.33Å; A599-R603 PolarHBondContact O-N 3.18Å; A599-R603 VanDerWaalsContact O-N 3.09Å; A599-L604 PolarHBondContact O-N 3.42Å
600V95.6Very high92.4Very high1 Ų110.5 Ų10.51%0.0065%0.053CC..Iπ-helixtrans-62.2-54.8178.3173.30000110.6L596 L597 V598 L604 L605 Y609 F672 F673L596-V600 WeakPolarHBondContact O-CG2 3.27Å; L596-V600 PolarHBondContact O-N 3.5Å; L597-V600 PolarHBondContact O-N 3.16Å; V598-V600 VanDerWaalsContact C-N 3.33Å; V598-V600 PolarHBondContact O-N 3.3Å; V600-L604 HydrophobicContact CG2-CD1 4.38Å; V600-L605 HydrophobicContact CG1-CD1 4.08Å; V600-L605 WeakPolarHBondContact O-CB 3.3Å; V600-L605 PolarHBondContact O-N 2.87Å; V600-Y609 HydrophobicContact CG1-CE2 3.85Å; V600-F672 HydrophobicContact CG2-CE1 4.21Å; V600-F673 HydrophobicContact CG2-CE1 3.71Å; V600-F673 HydrophobicContact CG2-CZ 4.16Å
601C93.1Very high91.2Very high1 Ų116.5 Ų16.51%0.0079%0.09CC..Iπ-helixtrans-77.1-32.1-171.2-60.10000113.9Y564 L597 V598 Y609Y564-C601 HydrophobicContact CE1-CB 4.27Å; Y564-C601 HydrophobicContact CE2-CB 3.88Å; Y564-C601 VanDerWaalsContact CZ-CB 3.45Å; Y564-C601 WeakPolarHBondContact OH-CB 3.39Å; L597-C601 PolarHBondContact O-N 3.25Å; L597-C601 PolarHBondContact O-SG 2.92Å; L597-C601 VanDerWaalsContact O-SG 3.37Å; V598-C601 PolarHBondContact O-N 3.37Å; C601-Y609 HydrophobicContact CB-CD2 4.01Å; C601-Y609 WeakPolarHBondContact SG-CD2 3.37Å
602E90.2Very high90.2Very high19 Ų1917.3 Ų17.39%0.0899%0.093CC..Iπ-helixtrans-98.9-22.4-174.6-64.4-178-171.300113.5L308 Y564 R567 V598L308-E602 HydrophobicContact CD1-CB 3.77Å; L308-E602 HydrophobicContact CD1-CG 4.39Å; L308-E602 HydrophobicContact CG-CB 4.34Å; Y564-E602 HydrophobicContact CE2-CG 4.5Å; R567-E602 IonicContact CZ-OE1 2.66Å; R567-E602 IonicContact CZ-OE2 2.72Å; R567-E602 IonicContact NE-OE1 2.7Å; R567-E602 PolarHBondContact NE-OE1 2.79Å; R567-E602 IonicContact NE-OE2 3.67Å; R567-E602 IonicContact NH2-OE1 3.76Å; R567-E602 IonicContact NH2-OE2 2.66Å; R567-E602 PolarHBondContact NH2-OE2 3.05Å; V598-E602 HydrophobicContact CG1-CG 4.46Å; V598-E602 VanDerWaalsContact O-CB 3.27Å; V598-E602 WeakPolarHBondContact O-CB 3.26Å; V598-E602 PolarHBondContact O-N 2.83Å
603R90.1Very high89.6Confident33 Ų3317 Ų1713%0.1259%0.094CC..Iπ-helixtrans-124.5-50.3-174.4-63-169.2-72.7-87.410.3114.9L306 E508 A599L306-R603 WeakPolarHBondContact O-CD 3.44Å; E508-R603 IonicContact OE1-NH1 2.73Å; E508-R603 IonicContact OE2-CZ 2.76Å; E508-R603 VanDerWaalsContact OE2-CZ 3.25Å; E508-R603 IonicContact OE2-NH1 3.69Å; E508-R603 PolarHBondContact OE2-NH1 3.27Å; E508-R603 IonicContact OE2-NH2 3.45Å; E508-R603 PolarHBondContact OE2-NH2 3.45Å; A599-R603 VanDerWaalsContact CB-NH2 3.32Å; A599-R603 WeakPolarHBondContact O-CA 3.46Å; A599-R603 WeakPolarHBondContact O-CB 3.33Å; A599-R603 PolarHBondContact O-N 3.18Å; A599-R603 VanDerWaalsContact O-N 3.09Å
604L92Very high89.1Confident9 Ų917 Ų175%0.0479%0.094CC..Iπ-helixtrans-79.2-35-172.4-60.4173.2000111.6A599 V600 F672 F673A599-L604 PolarHBondContact O-N 3.42Å; V600-L604 HydrophobicContact CG2-CD1 4.38Å; L604-F672 HydrophobicContact CB-CE1 4.26Å; L604-F672 HydrophobicContact CB-CE2 4.37Å; L604-F672 HydrophobicContact CB-CZ 3.69Å; L604-F672 HydrophobicContact CD1-CD1 4.43Å; L604-F672 HydrophobicContact CD1-CE1 3.76Å; L604-F672 HydrophobicContact CD1-CZ 4.06Å; L604-F672 HydrophobicContact CG-CZ 4.48Å; L604-F673 HydrophobicContact CD1-CD1 3.64Å; L604-F673 HydrophobicContact CD1-CE1 4Å
605L91.8Very high88.6Confident0 Ų017.1 Ų17.10%010%0.095CC..SBendtrans-13363.8179.9-59.5176.5000110.8V600 Y608 Y609 V655 F672 A677 M680V600-L605 HydrophobicContact CG1-CD1 4.08Å; V600-L605 WeakPolarHBondContact O-CB 3.3Å; V600-L605 PolarHBondContact O-N 2.87Å; L605-Y608 HydrophobicContact CB-CD1 3.84Å; L605-Y608 HydrophobicContact CB-CD2 4.01Å; L605-Y608 HydrophobicContact CB-CE1 4.35Å; L605-Y608 HydrophobicContact CB-CG 3.66Å; L605-Y608 HydrophobicContact CD1-CD1 3.88Å; L605-Y608 HydrophobicContact CD1-CE1 4.14Å; L605-Y608 HydrophobicContact CD2-CD1 4.02Å; L605-Y608 HydrophobicContact CD2-CE1 3.67Å; L605-Y608 HydrophobicContact CD2-CE2 4.23Å; L605-Y608 HydrophobicContact CD2-CG 4.45Å; L605-Y608 HydrophobicContact CG-CD1 4.12Å; L605-Y608 HydrophobicContact CG-CE1 4.26Å; L605-Y608 HydrophobicContact CG-CG 4.42Å; L605-Y608 WeakPolarHBondContact O-CB 3.34Å; L605-Y608 PolarHBondContact O-N 2.77Å; L605-Y609 HydrophobicContact CB-CE2 4.26Å; L605-Y609 HydrophobicContact CD1-CE2 4.14Å; L605-V655 HydrophobicContact CD1-CG2 3.91Å; L605-F672 HydrophobicContact CD1-CE2 4.34Å; L605-F672 HydrophobicContact CD1-CZ 3.86Å; L605-F672 HydrophobicContact CD2-CE2 4.06Å; L605-F672 HydrophobicContact CD2-CZ 4.22Å; L605-F672 HydrophobicContact CG-CE2 4.18Å; L605-F672 HydrophobicContact CG-CZ 3.82Å; L605-A677 HydrophobicContact CD2-CB 3.92Å; L605-M680 HydrophobicContact CD2-CE 4.36Å; L605-M680 HydrophobicContact CD2-SD 3.72Å
606P84.6Confident88.3Confident50 Ų5017.1 Ų17.133%0.32510%0.095SC..THydrogen-bonded Turntrans-60.8141.9178.928.1-34.6000110.6Y608P606-Y608 PolarHBondContact O-N 2.74Å; P606-Y608 VanDerWaalsContact O-N 3.11Å
607D84.3Confident87.9Confident18 Ų1819 Ų1910%0.09610%0.104CC..THydrogen-bonded Turntrans64.53.4179.8-46.9-31.9000115.5N610 V614 G615D607-N610 PolarHBondContact O-ND2 3.36Å; D607-N610 PolarHBondContact O-OD1 3.08Å; D607-V614 PolarHBondContact O-N 3.41Å; D607-G615 PolarHBondContact O-N 2.84Å
608Y87.4Confident87.6Confident4 Ų418.9 Ų18.92%0.01610%0.104CC..THydrogen-bonded Turntrans-70.6-41.5179.6-93.2-135.2000113.2L605 P606 V613 G615 A616 D619 F652 M680L605-Y608 HydrophobicContact CB-CD1 3.84Å; L605-Y608 HydrophobicContact CB-CD2 4.01Å; L605-Y608 HydrophobicContact CB-CE1 4.35Å; L605-Y608 HydrophobicContact CB-CG 3.66Å; L605-Y608 HydrophobicContact CD1-CD1 3.88Å; L605-Y608 HydrophobicContact CD1-CE1 4.14Å; L605-Y608 HydrophobicContact CD2-CD1 4.02Å; L605-Y608 HydrophobicContact CD2-CE1 3.67Å; L605-Y608 HydrophobicContact CD2-CE2 4.23Å; L605-Y608 HydrophobicContact CD2-CG 4.45Å; L605-Y608 HydrophobicContact CG-CD1 4.12Å; L605-Y608 HydrophobicContact CG-CE1 4.26Å; L605-Y608 HydrophobicContact CG-CG 4.42Å; L605-Y608 WeakPolarHBondContact O-CB 3.34Å; L605-Y608 PolarHBondContact O-N 2.77Å; P606-Y608 PolarHBondContact O-N 2.74Å; P606-Y608 VanDerWaalsContact O-N 3.11Å; Y608-V613 WeakPolarHBondContact O-CA 3.36Å; Y608-V613 WeakPolarHBondContact O-CG1 3.48Å; Y608-G615 VanDerWaalsContact CE2-O 3.31Å; Y608-G615 WeakPolarHBondContact CE2-O 3.46Å; Y608-A616 HydrophobicContact CD1-CB 4.01Å; Y608-A616 HydrophobicContact CD2-CB 4.35Å; Y608-A616 HydrophobicContact CE1-CB 4.22Å; Y608-A616 HydrophobicContact CG-CB 4.07Å; Y608-D619 HydrophobicContact CE2-CB 4.11Å; Y608-D619 WeakPolarHBondContact CE2-OD2 3.28Å; Y608-D619 WeakPolarHBondContact OH-CB 3.49Å; Y608-D619 VanDerWaalsContact OH-CG 3.28Å; Y608-D619 PolarHBondContact OH-OD2 3.16Å; Y608-F652 HydrophobicContact CE1-CB 4.11Å; Y608-M680 HydrophobicContact CE1-CE 4.28Å
609Y83.4Confident87.4Confident2 Ų219 Ų191%0.00811%0.105CC..THydrogen-bonded Turntrans-103.117-170.2-60.9-72.4000112.7I571 C574 A576 M577 V600 C601 L605 L653I571-Y609 WeakPolarHBondContact CG2-O 3.41Å; C574-Y609 HydrophobicContact CB-CD1 4.24Å; C574-Y609 WeakPolarHBondContact CB-O 3.28Å; A576-Y609 HydrophobicContact CB-CE1 4.35Å; M577-Y609 HydrophobicContact CG-CD1 3.6Å; M577-Y609 HydrophobicContact CG-CE1 4.13Å; M577-Y609 HydrophobicContact CG-CG 3.95Å; M577-Y609 HydrophobicContact SD-CD1 4.48Å; M577-Y609 HydrophobicContact SD-CG 4.39Å; V600-Y609 HydrophobicContact CG1-CE2 3.85Å; C601-Y609 HydrophobicContact CB-CD2 4.01Å; C601-Y609 WeakPolarHBondContact SG-CD2 3.37Å; L605-Y609 HydrophobicContact CB-CE2 4.26Å; L605-Y609 HydrophobicContact CD1-CE2 4.14Å; Y609-L653 WeakPolarHBondContact CE1-O 3.17Å; Y609-L653 PolarHBondContact OH-O 2.87Å
610N76.7Confident87.2Confident11 Ų1119.6 Ų19.66%0.05911%0.107CC..SBendtrans-77.4167.8170.366.725.8000110.5D607 K612 V613 V614D607-N610 PolarHBondContact O-ND2 3.36Å; D607-N610 PolarHBondContact O-OD1 3.08Å; N610-K612 PolarHBondContact O-N 3.33Å; N610-K612 VanDerWaalsContact O-N 3.09Å; N610-K612 PolarHBondContact OD1-N 3.35Å; N610-V613 PolarHBondContact O-N 2.9Å; N610-V613 WeakPolarHBondContact OD1-CA 3.35Å; N610-V613 PolarHBondContact OD1-N 3.16Å; N610-V614 PolarHBondContact OD1-N 3.39Å; N610-V614 VanDerWaalsContact OD1-N 3.11Å
611T70.6Confident87Confident125 Ų12520.2 Ų20.277%0.76711%0.114SC*.THydrogen-bonded Turntrans-57.5-27.2-177.153.70000114.2
612K76.3Confident87Confident48 Ų4820.1 Ų20.121%0.20911%0.114CC..THydrogen-bonded Turntrans-96.5-0.3179.6-67.3-178.2177.5-177.20113.3N610 V614 L798 E799N610-K612 PolarHBondContact O-N 3.33Å; N610-K612 VanDerWaalsContact O-N 3.09Å; N610-K612 PolarHBondContact OD1-N 3.35Å; K612-V614 HydrophobicContact CB-CG2 3.55Å; K612-V614 PolarHBondContact O-N 3.39Å; K612-L798 HydrophobicContact CB-CD1 4.37Å; K612-E799 IonicContact NZ-OE1 2.79Å
613V84.5Confident87.1Confident35 Ų3519.6 Ų19.621%0.21211%0.111CC..  trans42.138-174.2-63.10000114.3Y608 N610 G615 A616 L617 L653Y608-V613 WeakPolarHBondContact O-CA 3.36Å; Y608-V613 WeakPolarHBondContact O-CG1 3.48Å; N610-V613 PolarHBondContact O-N 2.9Å; N610-V613 WeakPolarHBondContact OD1-CA 3.35Å; N610-V613 PolarHBondContact OD1-N 3.16Å; V613-G615 VanDerWaalsContact C-N 3.34Å; V613-G615 PolarHBondContact O-N 2.79Å; V613-A616 HydrophobicContact CB-CB 4.45Å; V613-A616 PolarHBondContact O-N 2.98Å; V613-A616 VanDerWaalsContact O-N 3.11Å; V613-L617 HydrophobicContact CG2-CD1 4.22Å; V613-L617 HydrophobicContact CG2-CG 4.18Å; V613-L617 PolarHBondContact O-N 2.96Å; V613-L617 VanDerWaalsContact O-N 3.14Å; V613-L653 HydrophobicContact CG1-CD2 4.37Å
614V86.4Confident87.2Confident0 Ų018.9 Ų18.90%011%0.111CC..Hα-helixtrans-60.4-43.1-166-177.40000112I255 D607 N610 K612 A616 L617 V618 V794 V795 L798I255-V614 HydrophobicContact CD1-CB 4.17Å; I255-V614 HydrophobicContact CD1-CG1 3.59Å; I255-V614 HydrophobicContact CD1-CG2 4.11Å; I255-V614 HydrophobicContact CG1-CG1 4.35Å; I255-V614 HydrophobicContact CG1-CG2 4.17Å; I255-V614 HydrophobicContact CG2-CG2 3.88Å; D607-V614 PolarHBondContact O-N 3.41Å; N610-V614 PolarHBondContact OD1-N 3.39Å; N610-V614 VanDerWaalsContact OD1-N 3.11Å; K612-V614 HydrophobicContact CB-CG2 3.55Å; K612-V614 PolarHBondContact O-N 3.39Å; V614-A616 VanDerWaalsContact C-N 3.31Å; V614-A616 PolarHBondContact O-N 3.21Å; V614-L617 PolarHBondContact O-N 3.4Å; V614-V618 HydrophobicContact CG1-CG2 4.29Å; V614-V618 WeakPolarHBondContact O-CB 3.47Å; V614-V618 VanDerWaalsContact O-CG2 3.26Å; V614-V618 WeakPolarHBondContact O-CG2 3.49Å; V614-V618 PolarHBondContact O-N 3.24Å; V614-V794 HydrophobicContact CG1-CG1 4.25Å; V614-V795 HydrophobicContact CG1-CG2 3.97Å; V614-L798 HydrophobicContact CG2-CD1 3.91Å
615G89Confident87.2Confident2 Ų220.8 Ų20.82%0.02112%0.12CC..Hα-helixtrans-61.7-39.5179.500000112.5D607 Y608 V613 V618 D619D607-G615 PolarHBondContact O-N 2.84Å; Y608-G615 VanDerWaalsContact CE2-O 3.31Å; Y608-G615 WeakPolarHBondContact CE2-O 3.46Å; V613-G615 VanDerWaalsContact C-N 3.34Å; V613-G615 PolarHBondContact O-N 2.79Å; G615-V618 PolarHBondContact O-N 3.02Å; G615-D619 PolarHBondContact O-N 3.48Å
616A89.8Confident87.3Confident0 Ų020.8 Ų20.80%012%0.12CC..Hα-helixtrans-69.3-40.7179.700000111.7Y608 V613 V614 V618 D619 Q620 L649 L653Y608-A616 HydrophobicContact CD1-CB 4.01Å; Y608-A616 HydrophobicContact CD2-CB 4.35Å; Y608-A616 HydrophobicContact CE1-CB 4.22Å; Y608-A616 HydrophobicContact CG-CB 4.07Å; V613-A616 HydrophobicContact CB-CB 4.45Å; V613-A616 PolarHBondContact O-N 2.98Å; V613-A616 VanDerWaalsContact O-N 3.11Å; V614-A616 VanDerWaalsContact C-N 3.31Å; V614-A616 PolarHBondContact O-N 3.21Å; A616-V618 VanDerWaalsContact C-N 3.35Å; A616-D619 PolarHBondContact O-N 3.47Å; A616-Q620 WeakPolarHBondContact O-CB 3.46Å; A616-Q620 PolarHBondContact O-N 3.49Å; A616-L649 HydrophobicContact CB-CD1 3.71Å; A616-L653 HydrophobicContact CB-CD2 3.8Å; A616-L653 HydrophobicContact CB-CG 4.37Å
617L89.9Confident87.8Confident39 Ų3918.6 Ų18.620%0.20411%0.106CC..Hα-helixtrans-66.1-36.2173.9-64.9174.8000112.2V613 V614 Q620 G621 L649 V794 L798V613-L617 HydrophobicContact CG2-CD1 4.22Å; V613-L617 HydrophobicContact CG2-CG 4.18Å; V613-L617 PolarHBondContact O-N 2.96Å; V613-L617 VanDerWaalsContact O-N 3.14Å; V614-L617 PolarHBondContact O-N 3.4Å; L617-Q620 WeakPolarHBondContact O-CB 3.47Å; L617-Q620 PolarHBondContact O-N 3.42Å; L617-G621 PolarHBondContact O-N 3.37Å; L617-G621 VanDerWaalsContact O-N 3.15Å; L617-L649 HydrophobicContact CD2-CD1 4.46Å; L617-V794 HydrophobicContact CB-CG1 3.63Å; L617-V794 HydrophobicContact CB-CG2 4.39Å; L617-V794 HydrophobicContact CD1-CG1 4.25Å; L617-L798 HydrophobicContact CD1-CD1 4.22Å; L617-L798 HydrophobicContact CD1-CD2 4.1Å; L617-L798 HydrophobicContact CD1-CG 4.5Å
618V91.6Very high88.2Confident0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-62.4-49.6172.7168.90000110.8V614 G615 A616 Q620 G621 V622 R787 N790 R791 V794V614-V618 HydrophobicContact CG1-CG2 4.29Å; V614-V618 WeakPolarHBondContact O-CB 3.47Å; V614-V618 VanDerWaalsContact O-CG2 3.26Å; V614-V618 WeakPolarHBondContact O-CG2 3.49Å; V614-V618 PolarHBondContact O-N 3.24Å; G615-V618 PolarHBondContact O-N 3.02Å; A616-V618 VanDerWaalsContact C-N 3.35Å; V618-Q620 VanDerWaalsContact C-N 3.28Å; V618-Q620 PolarHBondContact O-N 3.3Å; V618-G621 PolarHBondContact O-N 3.38Å; V618-G621 VanDerWaalsContact O-N 3.1Å; V618-V622 WeakPolarHBondContact O-CG2 2.98Å; V618-V622 PolarHBondContact O-N 3.36Å; V618-R787 HydrophobicContact CG1-CB 3.94Å; V618-R787 HydrophobicContact CG1-CG 4.03Å; V618-R787 VanDerWaalsContact CG1-O 3.3Å; V618-R787 WeakPolarHBondContact CG1-O 3.48Å; V618-N790 HydrophobicContact CG1-CB 4.22Å; V618-R791 HydrophobicContact CG1-CB 4.41Å; V618-R791 HydrophobicContact CG2-CB 3.8Å; V618-R791 HydrophobicContact CG2-CG 4.14Å; V618-V794 HydrophobicContact CG2-CB 4.02Å; V618-V794 HydrophobicContact CG2-CG1 4.16Å; V618-V794 HydrophobicContact CG2-CG2 4.09Å
619D92.8Very high88.5Confident2 Ų228.8 Ų28.81%0.01115%0.147CC..Hα-helixtrans-69.8-26.7-179-82.10.4000112.2Y608 G615 A616 V622 F623 F652 F681 R787Y608-D619 HydrophobicContact CE2-CB 4.11Å; Y608-D619 WeakPolarHBondContact CE2-OD2 3.28Å; Y608-D619 WeakPolarHBondContact OH-CB 3.49Å; Y608-D619 VanDerWaalsContact OH-CG 3.28Å; Y608-D619 PolarHBondContact OH-OD2 3.16Å; G615-D619 PolarHBondContact O-N 3.48Å; A616-D619 PolarHBondContact O-N 3.47Å; D619-V622 WeakPolarHBondContact O-CB 3.4Å; D619-V622 PolarHBondContact O-N 3.18Å; D619-F623 WeakPolarHBondContact O-CB 3.3Å; D619-F623 PolarHBondContact O-N 2.87Å; D619-F652 HydrophobicContact CB-CD2 4.46Å; D619-F681 HydrophobicContact CB-CE1 4.09Å; D619-F681 HydrophobicContact CB-CZ 3.69Å; D619-F681 VanDerWaalsContact O-CE1 3.31Å; D619-F681 WeakPolarHBondContact O-CE1 3.44Å; D619-R787 VanDerWaalsContact OD1-CG 3.23Å; D619-R787 WeakPolarHBondContact OD1-CG 3.12Å; D619-R787 IonicContact OD1-CZ 2.73Å; D619-R787 IonicContact OD1-NE 3.82Å; D619-R787 PolarHBondContact OD1-NE 3.2Å; D619-R787 IonicContact OD1-NH2 3.91Å; D619-R787 IonicContact OD2-CZ 3.24Å; D619-R787 IonicContact OD2-NE 2.66Å; D619-R787 PolarHBondContact OD2-NE 2.91Å; D619-R787 IonicContact OD2-NH2 2.95Å; D619-R787 PolarHBondContact OD2-NH2 3.22Å
620Q90.8Very high89Confident12 Ų1231.1 Ų31.16%0.05616%0.159CC..Hα-helixtrans-60-47.7165.7166.4165.96500112.4A616 L617 V618 V622 F623 S624 D645A616-Q620 WeakPolarHBondContact O-CB 3.46Å; A616-Q620 PolarHBondContact O-N 3.49Å; L617-Q620 WeakPolarHBondContact O-CB 3.47Å; L617-Q620 PolarHBondContact O-N 3.42Å; V618-Q620 VanDerWaalsContact C-N 3.28Å; V618-Q620 PolarHBondContact O-N 3.3Å; Q620-V622 VanDerWaalsContact C-N 3.3Å; Q620-V622 PolarHBondContact O-N 3.3Å; Q620-F623 PolarHBondContact O-N 2.72Å; Q620-F623 VanDerWaalsContact O-N 3.17Å; Q620-S624 PolarHBondContact O-N 3.23Å; Q620-D645 PolarHBondContact NE2-O 3.46Å
621G91.1Very high89.9Confident14 Ų1431.1 Ų31.114%0.14416%0.159CC..Hα-helixtrans-62.6-36.2174.100000112.9L617 V618 E625L617-G621 PolarHBondContact O-N 3.37Å; L617-G621 VanDerWaalsContact O-N 3.15Å; V618-G621 PolarHBondContact O-N 3.38Å; V618-G621 VanDerWaalsContact O-N 3.1Å; G621-E625 PolarHBondContact O-N 3.03Å; G621-E625 VanDerWaalsContact O-N 3.14Å
622V93Very high91.1Very high0 Ų028.9 Ų28.90%015%0.147CC..Hα-helixtrans-62.3-46.3172.4175.40000110.6V618 D619 Q620 E625 L626 F681 L786 R787 N790V618-V622 WeakPolarHBondContact O-CG2 2.98Å; V618-V622 PolarHBondContact O-N 3.36Å; D619-V622 WeakPolarHBondContact O-CB 3.4Å; D619-V622 PolarHBondContact O-N 3.18Å; Q620-V622 VanDerWaalsContact C-N 3.3Å; Q620-V622 PolarHBondContact O-N 3.3Å; V622-E625 PolarHBondContact O-N 3.08Å; V622-L626 HydrophobicContact CG1-CD1 4.14Å; V622-L626 HydrophobicContact CG1-CG 4.45Å; V622-L626 WeakPolarHBondContact O-CG 3.46Å; V622-L626 PolarHBondContact O-N 2.79Å; V622-F681 HydrophobicContact CB-CE1 4.01Å; V622-F681 HydrophobicContact CB-CZ 4.08Å; V622-F681 HydrophobicContact CG1-CD1 4.5Å; V622-F681 HydrophobicContact CG1-CE1 3.83Å; V622-F681 HydrophobicContact CG1-CE2 4.47Å; V622-F681 HydrophobicContact CG1-CZ 3.8Å; V622-L786 HydrophobicContact CB-CB 4.41Å; V622-L786 HydrophobicContact CG1-CB 3.94Å; V622-L786 HydrophobicContact CG1-CD1 4.03Å; V622-L786 HydrophobicContact CG2-CB 3.86Å; V622-R787 HydrophobicContact CG2-CG 3.94Å; V622-N790 HydrophobicContact CG2-CB 4.49Å; V622-N790 PolarHBondContact N-ND2 3.2Å
623F94Very high91.9Very high7 Ų730 Ų303%0.03116%0.158CC..Hα-helixtrans-62.8-44.4179.3-179.2-112.8000111.7D619 Q620 E625 L626 V627 A648 F652 F681 A684 L685 L688D619-F623 WeakPolarHBondContact O-CB 3.3Å; D619-F623 PolarHBondContact O-N 2.87Å; Q620-F623 PolarHBondContact O-N 2.72Å; Q620-F623 VanDerWaalsContact O-N 3.17Å; F623-E625 VanDerWaalsContact C-N 3.34Å; F623-E625 PolarHBondContact O-N 2.79Å; F623-L626 CarbonylContact O-C 3.56Å; F623-L626 WeakPolarHBondContact O-CB 3.22Å; F623-L626 PolarHBondContact O-N 2.91Å; F623-L626 VanDerWaalsContact O-N 3.08Å; F623-V627 HydrophobicContact CD1-CG2 4.12Å; F623-V627 HydrophobicContact CD2-CG2 4.26Å; F623-V627 HydrophobicContact CE1-CG2 3.8Å; F623-V627 HydrophobicContact CE2-CG2 3.93Å; F623-V627 HydrophobicContact CG-CG2 4.38Å; F623-V627 HydrophobicContact CZ-CG2 3.71Å; F623-V627 WeakPolarHBondContact O-CG2 3.49Å; F623-V627 PolarHBondContact O-N 3.12Å; F623-A648 HydrophobicContact CD1-CB 3.59Å; F623-A648 HydrophobicContact CE1-CB 4.07Å; F623-A648 HydrophobicContact CG-CB 4.28Å; F623-F652 HydrophobicContact CB-CE2 3.96Å; F623-F652 HydrophobicContact CB-CZ 4.14Å; F623-F652 HydrophobicContact CD2-CZ 4.05Å; F623-F652 HydrophobicContact CG-CE2 4.31Å; F623-F652 HydrophobicContact CG-CZ 4.04Å; F623-F681 HydrophobicContact CB-CD1 3.97Å; F623-F681 HydrophobicContact CB-CE1 4.04Å; F623-F681 HydrophobicContact CD2-CD1 4.11Å; F623-A684 HydrophobicContact CD2-CB 4.23Å; F623-A684 HydrophobicContact CE2-CB 3.4Å; F623-A684 VanDerWaalsContact CE2-CB 3.4Å; F623-A684 HydrophobicContact CZ-CB 3.59Å; F623-L685 HydrophobicContact CD2-CG 4.49Å; F623-L685 HydrophobicContact CE2-CD2 4.06Å; F623-L685 HydrophobicContact CE2-CG 3.93Å; F623-L688 HydrophobicContact CE1-CD1 3.79Å; F623-L688 HydrophobicContact CZ-CD1 3.44Å; F623-L688 VanDerWaalsContact CZ-CD1 3.44Å; F623-L688 HydrophobicContact CZ-CG 4.17Å
624S91.9Very high92.3Very high19 Ų1928.3 Ų28.313%0.13315%0.148CC..Hα-helixtrans-55.4-47.9175.2-175.70000111.6Q620 L626 V627 E628Q620-S624 PolarHBondContact O-N 3.23Å; S624-L626 VanDerWaalsContact C-N 3.32Å; S624-L626 PolarHBondContact O-N 3.04Å; S624-V627 PolarHBondContact O-N 3.36Å; S624-V627 VanDerWaalsContact O-N 3.16Å; S624-E628 WeakPolarHBondContact O-CG 3.49Å; S624-E628 PolarHBondContact O-N 3.39Å
625E91.9Very high92.6Very high49 Ų4928.5 Ų28.523%0.22915%0.15CC..Hα-helixtrans-64.7-33.5176.3-176.4165.7178.500113G621 V622 F623 R629 L786 K789G621-E625 PolarHBondContact O-N 3.03Å; G621-E625 VanDerWaalsContact O-N 3.14Å; V622-E625 PolarHBondContact O-N 3.08Å; F623-E625 VanDerWaalsContact C-N 3.34Å; F623-E625 PolarHBondContact O-N 2.79Å; E625-R629 VanDerWaalsContact O-CB 3.3Å; E625-R629 WeakPolarHBondContact O-CB 3.43Å; E625-R629 PolarHBondContact O-N 2.9Å; E625-R629 VanDerWaalsContact O-N 3.16Å; E625-L786 HydrophobicContact CG-CD2 4.24Å; E625-L786 WeakPolarHBondContact OE1-CD2 3.26Å; E625-L786 WeakPolarHBondContact OE2-CD2 3.44Å; E625-K789 IonicContact OE1-NZ 3.03Å; E625-K789 PolarHBondContact OE1-NZ 3.06Å; E625-K789 IonicContact OE2-NZ 2.77Å; E625-K789 PolarHBondContact OE2-NZ 3.38Å
626L94.1Very high92.7Very high0 Ų031.6 Ų31.60%018%0.175CC..Hα-helixtrans-68.3-40.9173.3-70.8175.6000111.9V622 F623 S624 R629 L630 F681 L685 F778 L786V622-L626 HydrophobicContact CG1-CD1 4.14Å; V622-L626 HydrophobicContact CG1-CG 4.45Å; V622-L626 WeakPolarHBondContact O-CG 3.46Å; V622-L626 PolarHBondContact O-N 2.79Å; F623-L626 CarbonylContact O-C 3.56Å; F623-L626 WeakPolarHBondContact O-CB 3.22Å; F623-L626 PolarHBondContact O-N 2.91Å; F623-L626 VanDerWaalsContact O-N 3.08Å; S624-L626 VanDerWaalsContact C-N 3.32Å; S624-L626 PolarHBondContact O-N 3.04Å; L626-R629 VanDerWaalsContact CD2-NH2 3.28Å; L626-R629 PolarHBondContact O-N 3.42Å; L626-L630 HydrophobicContact CD2-CD1 4.4Å; L626-L630 VanDerWaalsContact O-CB 3.26Å; L626-L630 WeakPolarHBondContact O-CB 3.47Å; L626-L630 WeakPolarHBondContact O-CG 3.4Å; L626-L630 PolarHBondContact O-N 3.23Å; L626-F681 HydrophobicContact CD1-CB 3.99Å; L626-F681 HydrophobicContact CD1-CD1 4.01Å; L626-F681 HydrophobicContact CD1-CG 4.02Å; L626-L685 HydrophobicContact CB-CD1 4.35Å; L626-L685 HydrophobicContact CB-CD2 4.4Å; L626-F778 HydrophobicContact CD1-CE1 4.45Å; L626-F778 HydrophobicContact CD2-CD1 4.09Å; L626-F778 HydrophobicContact CD2-CG 4.4Å; L626-L786 HydrophobicContact CD2-CD1 4.12Å; L626-L786 HydrophobicContact CG-CD1 4.41Å
627V93.9Very high92.8Very high4 Ų432.4 Ų32.42%0.02418%0.179CC..Hα-helixtrans-64.6-48.1176.8173.50000110.3F623 S624 R629 L630 L631 V634 L638 L685 L688F623-V627 HydrophobicContact CD1-CG2 4.12Å; F623-V627 HydrophobicContact CD2-CG2 4.26Å; F623-V627 HydrophobicContact CE1-CG2 3.8Å; F623-V627 HydrophobicContact CE2-CG2 3.93Å; F623-V627 HydrophobicContact CG-CG2 4.38Å; F623-V627 HydrophobicContact CZ-CG2 3.71Å; F623-V627 WeakPolarHBondContact O-CG2 3.49Å; F623-V627 PolarHBondContact O-N 3.12Å; S624-V627 PolarHBondContact O-N 3.36Å; S624-V627 VanDerWaalsContact O-N 3.16Å; V627-R629 PolarHBondContact O-N 3Å; V627-L630 PolarHBondContact O-N 2.84Å; V627-L631 HydrophobicContact CG1-CB 4.37Å; V627-L631 CarbonylContact O-C 3.59Å; V627-L631 VanDerWaalsContact O-CA 3.28Å; V627-L631 WeakPolarHBondContact O-CA 3.36Å; V627-L631 PolarHBondContact O-N 3.29Å; V627-V634 HydrophobicContact CG1-CB 4.5Å; V627-V634 HydrophobicContact CG1-CG1 4.3Å; V627-L638 HydrophobicContact CG1-CD1 4.41Å; V627-L685 HydrophobicContact CG2-CD2 3.8Å; V627-L688 HydrophobicContact CG1-CD1 4.28Å; V627-L688 HydrophobicContact CG2-CD1 3.61Å
628E92.9Very high92.8Very high105 Ų10531 Ų3149%0.49117%0.171SC..Hα-helixtrans-55.9-39.3176.1-73.5-177.7170.900112.3S624S624-E628 WeakPolarHBondContact O-CG 3.49Å; S624-E628 PolarHBondContact O-N 3.39Å
629R93.1Very high92.7Very high131 Ų13134.2 Ų34.249%0.49419%0.191SC..Hα-helixtrans-79.5-39.6-177.1-174.2173.966.1156.74.7113.5E625 L626 V627E625-R629 VanDerWaalsContact O-CB 3.3Å; E625-R629 WeakPolarHBondContact O-CB 3.43Å; E625-R629 PolarHBondContact O-N 2.9Å; E625-R629 VanDerWaalsContact O-N 3.16Å; L626-R629 VanDerWaalsContact CD2-NH2 3.28Å; L626-R629 PolarHBondContact O-N 3.42Å; V627-R629 PolarHBondContact O-N 3Å
630L95.4Very high92.5Very high50 Ų5041.9 Ų41.926%0.26222%0.22SC..Hα-helixtrans-103.8-25.9-169.4-59.5174.9000113.3L626 V627 L685 F774 C777 F778L626-L630 HydrophobicContact CD2-CD1 4.4Å; L626-L630 VanDerWaalsContact O-CB 3.26Å; L626-L630 WeakPolarHBondContact O-CB 3.47Å; L626-L630 WeakPolarHBondContact O-CG 3.4Å; L626-L630 PolarHBondContact O-N 3.23Å; V627-L630 PolarHBondContact O-N 2.84Å; L630-L685 HydrophobicContact CD1-CD1 3.82Å; L630-F774 HydrophobicContact CB-CE1 4.23Å; L630-F774 HydrophobicContact CD1-CD1 4.1Å; L630-F774 HydrophobicContact CD1-CE1 4.38Å; L630-C777 HydrophobicContact CD1-CB 4.19Å; L630-C777 HydrophobicContact CD2-CB 4.33Å; L630-F778 HydrophobicContact CD1-CD1 4.18Å; L630-F778 HydrophobicContact CD1-CE1 4.22Å
631L95.2Very high92.3Very high11 Ų1143.2 Ų43.26%0.05823%0.227CC..  trans-133.562179.5-59.4175.3000110.2V627 T633 V634 G635 L685 L688 K689 F774V627-L631 HydrophobicContact CG1-CB 4.37Å; V627-L631 CarbonylContact O-C 3.59Å; V627-L631 VanDerWaalsContact O-CA 3.28Å; V627-L631 WeakPolarHBondContact O-CA 3.36Å; V627-L631 PolarHBondContact O-N 3.29Å; L631-T633 VanDerWaalsContact C-N 3.29Å; L631-T633 PolarHBondContact O-N 3.25Å; L631-V634 HydrophobicContact CB-CB 4.05Å; L631-V634 HydrophobicContact CB-CG2 4.2Å; L631-V634 WeakPolarHBondContact O-CB 3.15Å; L631-V634 PolarHBondContact O-N 3.03Å; L631-V634 VanDerWaalsContact O-N 3.09Å; L631-G635 PolarHBondContact O-N 3.22Å; L631-L685 HydrophobicContact CD1-CD2 4.14Å; L631-L685 WeakPolarHBondContact CD1-O 3.4Å; L631-L688 HydrophobicContact CD1-CB 3.88Å; L631-K689 HydrophobicContact CD1-CB 4.11Å; L631-K689 HydrophobicContact CD2-CB 3.95Å; L631-K689 HydrophobicContact CD2-CD 4.49Å; L631-K689 HydrophobicContact CD2-CG 4.02Å; L631-F774 HydrophobicContact CD2-CZ 4.33Å
632P95.1Very high91.9Very high79 Ų7944.7 Ų44.751%0.51324%0.242SC..Hα-helixtrans-62.3-31.6-167.324.2-35.3000114.3A636P632-A636 WeakPolarHBondContact O-CB 3.41Å; P632-A636 PolarHBondContact O-N 2.62Å
633T94.5Very high91.3Very high71 Ų7144.8 Ų44.844%0.43624%0.243SC..Hα-helixtrans-63.4-47.2174.439.70000111.6L631 Q637 E692L631-T633 VanDerWaalsContact C-N 3.29Å; L631-T633 PolarHBondContact O-N 3.25Å; T633-Q637 PolarHBondContact O-N 3.41Å; T633-E692 PolarHBondContact OG1-OE1 3.47Å
634V93.1Very high90.2Very high0 Ų046.9 Ų46.90%025%0.254CS..Hα-helixtrans-64.5-48.4174.8179.10000110.3V627 L631 A636 Q637 L638 L688 E692 I695V627-V634 HydrophobicContact CG1-CB 4.5Å; V627-V634 HydrophobicContact CG1-CG1 4.3Å; L631-V634 HydrophobicContact CB-CB 4.05Å; L631-V634 HydrophobicContact CB-CG2 4.2Å; L631-V634 WeakPolarHBondContact O-CB 3.15Å; L631-V634 PolarHBondContact O-N 3.03Å; L631-V634 VanDerWaalsContact O-N 3.09Å; V634-A636 PolarHBondContact O-N 2.88Å; V634-Q637 WeakPolarHBondContact O-CB 3.01Å; V634-Q637 PolarHBondContact O-N 3.41Å; V634-Q637 VanDerWaalsContact O-N 3.13Å; V634-L638 HydrophobicContact CG1-CD1 3.89Å; V634-L638 HydrophobicContact CG1-CG 4.17Å; V634-L638 WeakPolarHBondContact O-CG 3.5Å; V634-L638 PolarHBondContact O-N 2.68Å; V634-L688 HydrophobicContact CG1-CB 4.39Å; V634-L688 HydrophobicContact CG1-CD1 4.37Å; V634-E692 HydrophobicContact CG2-CB 3.82Å; V634-E692 HydrophobicContact CG2-CG 3.64Å; V634-I695 HydrophobicContact CG1-CD1 3.96Å; V634-I695 HydrophobicContact CG1-CG2 4.12Å
635G91.9Very high89Confident4 Ų450.3 Ų50.34%0.04127%0.271CS..Hα-helixtrans-55.7-50.6179.100000112.3L631 Q637 L638 T639L631-G635 PolarHBondContact O-N 3.22Å; G635-Q637 PolarHBondContact O-N 3.47Å; G635-L638 PolarHBondContact O-N 3.09Å; G635-T639 PolarHBondContact O-N 2.68Å; G635-T639 PolarHBondContact O-OG1 3.15Å
636A91.8Very high87.8Confident66 Ų6652 Ų5255%0.54528%0.28SS..Hα-helixtrans-58-36.8178.200000112.9P632 V634 R640P632-A636 WeakPolarHBondContact O-CB 3.41Å; P632-A636 PolarHBondContact O-N 2.62Å; V634-A636 PolarHBondContact O-N 2.88Å; A636-R640 VanDerWaalsContact O-CB 3.28Å; A636-R640 WeakPolarHBondContact O-CB 3.48Å; A636-R640 PolarHBondContact O-N 3.06Å
637Q90.5Very high86.4Confident18 Ų1852.5 Ų52.58%0.08428%0.283CS..Hα-helixtrans-72.8-42.9178.1-177.971.5-15.300112.6T633 V634 G635 R640 L641 I695 S698T633-Q637 PolarHBondContact O-N 3.41Å; V634-Q637 WeakPolarHBondContact O-CB 3.01Å; V634-Q637 PolarHBondContact O-N 3.41Å; V634-Q637 VanDerWaalsContact O-N 3.13Å; G635-Q637 PolarHBondContact O-N 3.47Å; Q637-R640 VanDerWaalsContact CD-NH2 3.29Å; Q637-R640 PolarHBondContact O-N 3.04Å; Q637-L641 HydrophobicContact CG-CD1 4.33Å; Q637-L641 PolarHBondContact O-N 3.09Å; Q637-L641 VanDerWaalsContact O-N 3.17Å; Q637-I695 HydrophobicContact CB-CG2 4.34Å; Q637-I695 HydrophobicContact CG-CG2 3.98Å; Q637-I695 VanDerWaalsContact CG-O 3.3Å; Q637-I695 WeakPolarHBondContact CG-O 3.21Å; Q637-I695 PolarHBondContact NE2-O 2.86Å; Q637-S698 PolarHBondContact NE2-O 2.95Å
638L89.4Confident85.6Confident9 Ų952.3 Ų52.35%0.04728%0.282CS..Hα-helixtrans-62.4-45.2176.2-67.8177.9000110.9V627 V634 G635 R640 L641 G642 L643 L688 I695 I704V627-L638 HydrophobicContact CG1-CD1 4.41Å; V634-L638 HydrophobicContact CG1-CD1 3.89Å; V634-L638 HydrophobicContact CG1-CG 4.17Å; V634-L638 WeakPolarHBondContact O-CG 3.5Å; V634-L638 PolarHBondContact O-N 2.68Å; G635-L638 PolarHBondContact O-N 3.09Å; L638-R640 VanDerWaalsContact C-N 3.35Å; L638-R640 PolarHBondContact O-N 2.91Å; L638-L641 CarbonylContact O-C 3.54Å; L638-L641 PolarHBondContact O-N 2.89Å; L638-G642 PolarHBondContact O-N 3.5Å; L638-L643 HydrophobicContact CB-CB 4.49Å; L638-L643 HydrophobicContact CD2-CB 3.98Å; L638-L643 HydrophobicContact CD2-CD1 4.39Å; L638-L643 PolarHBondContact O-N 3.15Å; L638-L688 HydrophobicContact CD1-CD1 4.3Å; L638-I695 HydrophobicContact CD2-CG2 4.28Å; L638-I704 HydrophobicContact CD2-CD1 4.38Å; L638-I704 HydrophobicContact CD2-CG2 4.33Å
639T89.8Confident85Confident68 Ų6848.9 Ų48.942%0.41727%0.267SS..Hα-helixtrans-62.9-39.8175-52.70000111.8G635 L641 G642G635-T639 PolarHBondContact O-N 2.68Å; G635-T639 PolarHBondContact O-OG1 3.15Å; T639-L641 PolarHBondContact O-N 2.82Å; T639-G642 PolarHBondContact O-N 3.36Å
640R89.1Confident84.2Confident162 Ų16245.2 Ų45.261%0.61126%0.261SS*.Hα-helixtrans-60.2-32.6177.3-175.2178.972.4128.19.2112.4A636 Q637 L638A636-R640 VanDerWaalsContact O-CB 3.28Å; A636-R640 WeakPolarHBondContact O-CB 3.48Å; A636-R640 PolarHBondContact O-N 3.06Å; Q637-R640 VanDerWaalsContact CD-NH2 3.29Å; Q637-R640 PolarHBondContact O-N 3.04Å; L638-R640 VanDerWaalsContact C-N 3.35Å; L638-R640 PolarHBondContact O-N 2.91Å
641L85.9Confident83.9Confident40 Ų4043.4 Ų43.421%0.20925%0.251CS..Hα-helixtrans-98.7-0.6-178.5-63.3173.1000113.3Q637 L638 T639 I704Q637-L641 HydrophobicContact CG-CD1 4.33Å; Q637-L641 PolarHBondContact O-N 3.09Å; Q637-L641 VanDerWaalsContact O-N 3.17Å; L638-L641 CarbonylContact O-C 3.54Å; L638-L641 PolarHBondContact O-N 2.89Å; T639-L641 PolarHBondContact O-N 2.82Å; L641-I704 HydrophobicContact CD1-CD1 3.36Å; L641-I704 HydrophobicContact CD1-CG1 4.49Å
642G82.8Confident83.7Confident45 Ų4543 Ų4346%0.46425%0.249SC..THydrogen-bonded Turntrans70.428.1-179.300000114.6L638 T639L638-G642 PolarHBondContact O-N 3.5Å; T639-G642 PolarHBondContact O-N 3.36Å
643L80.9Confident83.3Confident2 Ų240 Ų401%0.0123%0.229CC..  trans-1032-178.2-77.6-176.1000114.4L638 D645 M646 D701 I704 L705L638-L643 HydrophobicContact CB-CB 4.49Å; L638-L643 HydrophobicContact CD2-CB 3.98Å; L638-L643 HydrophobicContact CD2-CD1 4.39Å; L638-L643 PolarHBondContact O-N 3.15Å; L643-D645 PolarHBondContact O-N 3.05Å; L643-M646 HydrophobicContact CD2-CB 3.99Å; L643-M646 HydrophobicContact CD2-CG 4.44Å; L643-M646 HydrophobicContact CD2-SD 4.02Å; L643-M646 PolarHBondContact O-N 3.29Å; L643-D701 HydrophobicContact CD1-CB 3.75Å; L643-D701 HydrophobicContact CD2-CB 3.92Å; L643-D701 HydrophobicContact CG-CB 3.82Å; L643-I704 HydrophobicContact CD1-CB 4.01Å; L643-I704 HydrophobicContact CD1-CD1 4.08Å; L643-I704 HydrophobicContact CD1-CG2 4.03Å; L643-L705 HydrophobicContact CD2-CD1 4.34Å; L643-L705 HydrophobicContact CD2-CD2 4.4Å; L643-L705 HydrophobicContact CD2-CG 4.43Å
644D70.8Confident83.1Confident51 Ų5137 Ų3727%0.27321%0.21SC..THydrogen-bonded Turntrans-54.3-32.9178.250.2-37.7000112.8
645D66.8Low83.1Confident91 Ų9137 Ų3749%0.48721%0.21SC..THydrogen-bonded Turntrans-109.516-178.2-66.6-25.5000114.6Q620 L643Q620-D645 PolarHBondContact NE2-O 3.46Å; L643-D645 PolarHBondContact O-N 3.05Å
646M66.1Low83.1Confident85 Ų8536.9 Ų36.942%0.41921%0.208SC..THydrogen-bonded Turntrans-113.6-38.6-180-78.4-165.2-177.800114.7L643 A648 L739L643-M646 HydrophobicContact CD2-CB 3.99Å; L643-M646 HydrophobicContact CD2-CG 4.44Å; L643-M646 HydrophobicContact CD2-SD 4.02Å; L643-M646 PolarHBondContact O-N 3.29Å; M646-A648 PolarHBondContact O-N 2.85Å; M646-L739 HydrophobicContact CE-CD2 3.34Å; M646-L739 HydrophobicContact CE-CG 4.32Å; M646-L739 HydrophobicContact CG-CD2 3.76Å; M646-L739 HydrophobicContact SD-CD2 3.3Å; M646-L739 WeakPolarHBondContact SD-CD2 3.4Å
647V66.5Low83Confident10 Ų1034.6 Ų34.66%0.06119%0.187CC..Hα-helixtrans-71-34.6-166.3-179.20000112.7W651 L705 L708V647-W651 HydrophobicContact CG1-CD2 4.41Å; V647-W651 HydrophobicContact CG1-CE3 4.22Å; V647-W651 HydrophobicContact CG1-CH2 3.3Å; V647-W651 HydrophobicContact CG1-CZ2 3.49Å; V647-W651 VanDerWaalsContact CG1-CZ2 3.49Å; V647-W651 HydrophobicContact CG1-CZ3 3.68Å; V647-L705 HydrophobicContact CG2-CD2 4.2Å; V647-L708 HydrophobicContact CG1-CD1 3.73Å; V647-L708 HydrophobicContact CG2-CD1 4.32Å
648A76.3Confident82.7Confident1 Ų137.2 Ų37.21%0.00821%0.207CC..Hα-helixtrans-83.4-28.5-169.700000114.9F623 M646 S650 W651 F652F623-A648 HydrophobicContact CD1-CB 3.59Å; F623-A648 HydrophobicContact CE1-CB 4.07Å; F623-A648 HydrophobicContact CG-CB 4.28Å; M646-A648 PolarHBondContact O-N 2.85Å; A648-S650 PolarHBondContact O-N 3.33Å; A648-W651 PolarHBondContact O-N 3.41Å; A648-F652 HydrophobicContact CB-CD2 4.22Å; A648-F652 HydrophobicContact CB-CE2 3.97Å; A648-F652 HydrophobicContact CB-CZ 4.23Å; A648-F652 WeakPolarHBondContact O-CB 3.42Å; A648-F652 VanDerWaalsContact O-CG 3.28Å; A648-F652 WeakPolarHBondContact O-CG 3.14Å; A648-F652 PolarHBondContact O-N 2.91Å
649L80.1Confident82.5Confident33 Ų3337.8 Ų37.817%0.17321%0.213CC..Hα-helixtrans-65.5-43.6-170.1-172.364.4000112A616 L617 W651 F652 L653A616-L649 HydrophobicContact CB-CD1 3.71Å; L617-L649 HydrophobicContact CD2-CD1 4.46Å; L649-W651 VanDerWaalsContact C-N 3.35Å; L649-W651 PolarHBondContact O-N 2.55Å; L649-F652 PolarHBondContact O-N 3.3Å; L649-L653 HydrophobicContact CD1-CD1 4.01Å; L649-L653 HydrophobicContact CD1-CG 4.07Å; L649-L653 HydrophobicContact CG-CD1 3.89Å; L649-L653 HydrophobicContact CG-CG 4.35Å; L649-L653 WeakPolarHBondContact O-CB 3.47Å; L649-L653 WeakPolarHBondContact O-CG 3.26Å; L649-L653 PolarHBondContact O-N 3.34Å
650S76.6Confident82.4Confident53 Ų5334.9 Ų34.937%0.37120%0.195SC..Hα-helixtrans-66.2-36.5178.265.20000112.4A648 T654A648-S650 PolarHBondContact O-N 3.33Å; S650-T654 PolarHBondContact O-OG1 3.29Å
651W88.6Confident82.2Confident13 Ų1332.7 Ų32.75%0.04919%0.19CC..Hα-helixtrans-68-41.4174.9-65.2-8000111.7V647 A648 L649 V655 F656 A659 A684 M687 L688 L708V647-W651 HydrophobicContact CG1-CD2 4.41Å; V647-W651 HydrophobicContact CG1-CE3 4.22Å; V647-W651 HydrophobicContact CG1-CH2 3.3Å; V647-W651 HydrophobicContact CG1-CZ2 3.49Å; V647-W651 VanDerWaalsContact CG1-CZ2 3.49Å; V647-W651 HydrophobicContact CG1-CZ3 3.68Å; A648-W651 PolarHBondContact O-N 3.41Å; L649-W651 VanDerWaalsContact C-N 3.35Å; L649-W651 PolarHBondContact O-N 2.55Å; W651-V655 PolarHBondContact O-N 3.31Å; W651-F656 HydrophobicContact CB-CD1 3.78Å; W651-F656 HydrophobicContact CB-CE1 3.63Å; W651-F656 HydrophobicContact CB-CZ 4.29Å; W651-F656 HydrophobicContact CD2-CE1 4.1Å; W651-F656 HydrophobicContact CE3-CE1 4.15Å; W651-F656 AromaticContact CG-CD1 4Å; W651-F656 HydrophobicContact CG-CD1 4Å; W651-F656 AromaticContact CG-CE1 3.91Å; W651-F656 HydrophobicContact CG-CE1 3.91Å; W651-F656 PolarHBondContact O-N 2.78Å; W651-A659 VanDerWaalsContact CD1-CB 3.48Å; W651-A684 HydrophobicContact CE3-CB 3.83Å; W651-A684 HydrophobicContact CZ3-CB 3.96Å; W651-M687 HydrophobicContact CD2-CE 4.41Å; W651-M687 HydrophobicContact CH2-CE 4.05Å; W651-M687 HydrophobicContact CZ2-CE 3.82Å; W651-M687 HydrophobicContact CZ3-CE 4.44Å; W651-L688 HydrophobicContact CH2-CD2 4.21Å; W651-L708 HydrophobicContact CH2-CD1 4.31Å; W651-L708 HydrophobicContact CZ2-CD1 4.34Å
652F91.1Very high82.1Confident1 Ų132 Ų320%0.00419%0.185CC..Hα-helixtrans-81.4-39.9-171.5-69.1-4.6000113.6Y608 D619 F623 A648 L649 T654 V655 F656 M680 F681 A684Y608-F652 HydrophobicContact CE1-CB 4.11Å; D619-F652 HydrophobicContact CB-CD2 4.46Å; F623-F652 HydrophobicContact CB-CE2 3.96Å; F623-F652 HydrophobicContact CB-CZ 4.14Å; F623-F652 HydrophobicContact CD2-CZ 4.05Å; F623-F652 HydrophobicContact CG-CE2 4.31Å; F623-F652 HydrophobicContact CG-CZ 4.04Å; A648-F652 HydrophobicContact CB-CD2 4.22Å; A648-F652 HydrophobicContact CB-CE2 3.97Å; A648-F652 HydrophobicContact CB-CZ 4.23Å; A648-F652 WeakPolarHBondContact O-CB 3.42Å; A648-F652 VanDerWaalsContact O-CG 3.28Å; A648-F652 WeakPolarHBondContact O-CG 3.14Å; A648-F652 PolarHBondContact O-N 2.91Å; L649-F652 PolarHBondContact O-N 3.3Å; F652-T654 VanDerWaalsContact C-N 3.25Å; F652-T654 PolarHBondContact O-N 3.01Å; F652-V655 PolarHBondContact O-N 3.37Å; F652-F656 HydrophobicContact CD1-CZ 4.34Å; F652-F656 HydrophobicContact CE1-CZ 4.18Å; F652-M680 HydrophobicContact CB-CE 3.59Å; F652-M680 HydrophobicContact CD1-CB 4.12Å; F652-M680 HydrophobicContact CD1-CE 3.73Å; F652-M680 HydrophobicContact CE1-CB 4Å; F652-M680 HydrophobicContact CG-CE 3.79Å; F652-M680 WeakPolarHBondContact O-CE 3.42Å; F652-F681 HydrophobicContact CE2-CD1 4.05Å; F652-F681 AromaticContact CE2-CE1 3.82Å; F652-F681 HydrophobicContact CE2-CE1 3.82Å; F652-F681 AromaticContact CZ-CD1 3.89Å; F652-F681 HydrophobicContact CZ-CD1 3.89Å; F652-F681 HydrophobicContact CZ-CE1 4.15Å; F652-A684 HydrophobicContact CE1-CB 3.92Å; F652-A684 HydrophobicContact CZ-CB 4.25Å
653L87.3Confident82.2Confident18 Ų1833.1 Ų33.19%0.09418%0.181CC..Hα-helixtrans-60.5-33.6-178.4-78.3174000113.4A576 Y609 V613 A616 L649A576-L653 HydrophobicContact CB-CB 4.22Å; Y609-L653 WeakPolarHBondContact CE1-O 3.17Å; Y609-L653 PolarHBondContact OH-O 2.87Å; V613-L653 HydrophobicContact CG1-CD2 4.37Å; A616-L653 HydrophobicContact CB-CD2 3.8Å; A616-L653 HydrophobicContact CB-CG 4.37Å; L649-L653 HydrophobicContact CD1-CD1 4.01Å; L649-L653 HydrophobicContact CD1-CG 4.07Å; L649-L653 HydrophobicContact CG-CD1 3.89Å; L649-L653 HydrophobicContact CG-CG 4.35Å; L649-L653 WeakPolarHBondContact O-CB 3.47Å; L649-L653 WeakPolarHBondContact O-CG 3.26Å; L649-L653 PolarHBondContact O-N 3.34Å
654T89.8Confident82.5Confident7 Ų733 Ų334%0.04318%0.18CC..THydrogen-bonded Turntrans-106.96.9-178.965.50000113.2A576 I579 S650 F652 F656 L657 S658A576-T654 HydrophobicContact CB-CG2 3.87Å; I579-T654 HydrophobicContact CD1-CG2 3.96Å; S650-T654 PolarHBondContact O-OG1 3.29Å; F652-T654 VanDerWaalsContact C-N 3.25Å; F652-T654 PolarHBondContact O-N 3.01Å; T654-F656 PolarHBondContact O-N 3.49Å; T654-L657 WeakPolarHBondContact O-CB 3.23Å; T654-L657 WeakPolarHBondContact O-CD1 3.3Å; T654-L657 WeakPolarHBondContact O-CG 3.31Å; T654-L657 PolarHBondContact O-N 3.02Å; T654-S658 PolarHBondContact OG1-N 2.83Å; T654-S658 PolarHBondContact OG1-OG 3.47Å
655V93.1Very high83.5Confident1 Ų130.6 Ų30.61%0.00617%0.167CC..THydrogen-bonded Turntrans50.448.3-173.6-161.40000111L605 W651 F652 L657 L669 F672 M680L605-V655 HydrophobicContact CD1-CG2 3.91Å; W651-V655 PolarHBondContact O-N 3.31Å; F652-V655 PolarHBondContact O-N 3.37Å; V655-L657 PolarHBondContact O-N 3.23Å; V655-L657 VanDerWaalsContact O-N 3.14Å; V655-L669 HydrophobicContact CB-CD2 4.07Å; V655-L669 HydrophobicContact CG1-CD2 3.85Å; V655-F672 HydrophobicContact CG1-CB 4.35Å; V655-F672 HydrophobicContact CG1-CD1 4.24Å; V655-F672 HydrophobicContact CG1-CD2 4.04Å; V655-F672 HydrophobicContact CG1-CE2 4.43Å; V655-F672 HydrophobicContact CG1-CG 3.94Å; V655-F672 HydrophobicContact CG2-CE1 4.38Å; V655-F672 HydrophobicContact CG2-CZ 4.28Å; V655-M680 HydrophobicContact CG1-CG 4.38Å; V655-M680 HydrophobicContact CG1-SD 4.39Å
656F91.9Very high84.6Confident0 Ų026.3 Ų26.30%014%0.144CC..THydrogen-bonded Turntrans65.80.3-178.1-53.1-93.4000116.3W651 F652 T654 S658 A659 I660 I668 M680 V683 A684 M687W651-F656 HydrophobicContact CB-CD1 3.78Å; W651-F656 HydrophobicContact CB-CE1 3.63Å; W651-F656 HydrophobicContact CB-CZ 4.29Å; W651-F656 HydrophobicContact CD2-CE1 4.1Å; W651-F656 HydrophobicContact CE3-CE1 4.15Å; W651-F656 AromaticContact CG-CD1 4Å; W651-F656 HydrophobicContact CG-CD1 4Å; W651-F656 AromaticContact CG-CE1 3.91Å; W651-F656 HydrophobicContact CG-CE1 3.91Å; W651-F656 PolarHBondContact O-N 2.78Å; F652-F656 HydrophobicContact CD1-CZ 4.34Å; F652-F656 HydrophobicContact CE1-CZ 4.18Å; T654-F656 PolarHBondContact O-N 3.49Å; F656-S658 PolarHBondContact O-N 3.07Å; F656-A659 PolarHBondContact O-N 3.04Å; F656-I660 HydrophobicContact CB-CD1 3.92Å; F656-I660 HydrophobicContact CB-CG1 4.26Å; F656-I660 HydrophobicContact CD1-CD1 4.08Å; F656-I660 HydrophobicContact CG-CD1 4.25Å; F656-I660 PolarHBondContact O-N 3.28Å; F656-I668 HydrophobicContact CB-CD1 3.99Å; F656-I668 HydrophobicContact CD2-CD1 4.14Å; F656-I668 HydrophobicContact CD2-CG2 4.06Å; F656-I668 HydrophobicContact CG-CD1 4.08Å; F656-M680 HydrophobicContact CE2-CB 4Å; F656-M680 HydrophobicContact CE2-CG 4.14Å; F656-M680 HydrophobicContact CZ-CB 4.49Å; F656-V683 HydrophobicContact CE1-CG1 4.3Å; F656-V683 HydrophobicContact CE2-CB 4.48Å; F656-V683 HydrophobicContact CE2-CG1 4.47Å; F656-V683 HydrophobicContact CZ-CB 4.23Å; F656-V683 HydrophobicContact CZ-CG1 4.13Å; F656-A684 HydrophobicContact CE1-CB 4.38Å; F656-A684 HydrophobicContact CZ-CB 4.14Å; F656-M687 HydrophobicContact CD1-SD 4.17Å; F656-M687 HydrophobicContact CE1-SD 3.8Å
657L88.8Confident85.9Confident19 Ų1922.7 Ų22.710%0.09913%0.126CC..THydrogen-bonded Turntrans-61.2-28.1-177.5-69.2171.7000113.7I579 V580 V583 T654 V655 A665 L669I579-L657 HydrophobicContact CG2-CB 3.94Å; I579-L657 HydrophobicContact CG2-CD1 4.33Å; V580-L657 HydrophobicContact CG2-CD1 4.24Å; V583-L657 HydrophobicContact CB-CD1 4.13Å; V583-L657 HydrophobicContact CB-CD2 4.47Å; V583-L657 HydrophobicContact CG1-CD2 4.2Å; V583-L657 HydrophobicContact CG2-CD1 3.81Å; V583-L657 HydrophobicContact CG2-CD2 3.93Å; V583-L657 HydrophobicContact CG2-CG 4.43Å; T654-L657 WeakPolarHBondContact O-CB 3.23Å; T654-L657 WeakPolarHBondContact O-CD1 3.3Å; T654-L657 WeakPolarHBondContact O-CG 3.31Å; T654-L657 PolarHBondContact O-N 3.02Å; V655-L657 PolarHBondContact O-N 3.23Å; V655-L657 VanDerWaalsContact O-N 3.14Å; L657-A665 HydrophobicContact CD2-CB 3.83Å; L657-L669 HydrophobicContact CD1-CD1 4.34Å; L657-L669 HydrophobicContact CD2-CD1 3.98Å
658S85.5Confident87.2Confident72 Ų7222.2 Ų22.250%0.50312%0.123SC..THydrogen-bonded Turntrans-90.3-13.2176.559.30000113.9T654 F656T654-S658 PolarHBondContact OG1-N 2.83Å; T654-S658 PolarHBondContact OG1-OG 3.47Å; F656-S658 PolarHBondContact O-N 3.07Å
659A85.1Confident88.1Confident21 Ų2122.3 Ų22.317%0.17412%0.123CC..THydrogen-bonded Turntrans-105.8-33.8-173.600000113.1W651 F656 T712W651-A659 VanDerWaalsContact CD1-CB 3.48Å; F656-A659 PolarHBondContact O-N 3.04Å; A659-T712 WeakPolarHBondContact O-CB 3.36Å; A659-T712 PolarHBondContact O-OG1 3.45Å
660I87.9Confident88.8Confident7 Ų720.7 Ų20.74%0.03612%0.115CC..SBendtrans-110.9148.6-177.8-62176.8000109F656 F662 A664 A665 I668 M687 T712 I715F656-I660 HydrophobicContact CB-CD1 3.92Å; F656-I660 HydrophobicContact CB-CG1 4.26Å; F656-I660 HydrophobicContact CD1-CD1 4.08Å; F656-I660 HydrophobicContact CG-CD1 4.25Å; F656-I660 PolarHBondContact O-N 3.28Å; I660-F662 PolarHBondContact O-N 3.44Å; I660-A664 HydrophobicContact CG2-CB 3.69Å; I660-A665 HydrophobicContact CB-CB 4.23Å; I660-A665 HydrophobicContact CG2-CB 4.34Å; I660-I668 HydrophobicContact CD1-CD1 3.63Å; I660-M687 HydrophobicContact CD1-CE 4.48Å; I660-M687 HydrophobicContact CD1-SD 4.36Å; I660-T712 HydrophobicContact CG1-CG2 4.48Å; I660-I715 HydrophobicContact CD1-CD1 3.93Å; I660-I715 HydrophobicContact CG1-CD1 4.15Å; I660-I715 HydrophobicContact CG2-CB 4.17Å; I660-I715 HydrophobicContact CG2-CG2 4.11Å
661K84.4Confident89.7Confident117 Ų11718.2 Ų18.251%0.50910%0.098SC..  trans-52.7139.8174.5-74.8176.7173.2156.10111.7D663 A664 A665 E713K661-D663 PolarHBondContact O-N 3.09Å; K661-A664 PolarHBondContact O-N 3.3Å; K661-A665 PolarHBondContact O-N 3.44Å; K661-E713 WeakPolarHBondContact CE-O 3.26Å; K661-E713 PolarHBondContact NZ-O 3.47Å
662F84.1Confident90.1Very high25 Ų2517.6 Ų17.611%0.1110%0.095CC..Hα-helixtrans-45.1-53.5-174.8174.4-97.2000113.9F451 L542 V583 L586 F587 I660 A664 A665 V666F451-F662 AromaticContact CD1-CD1 3.65Å; F451-F662 HydrophobicContact CD1-CD1 3.65Å; F451-F662 AromaticContact CD1-CE1 3.71Å; F451-F662 HydrophobicContact CD1-CE1 3.71Å; F451-F662 HydrophobicContact CE1-CB 4.48Å; F451-F662 AromaticContact CE1-CD1 3.55Å; F451-F662 HydrophobicContact CE1-CD1 3.55Å; F451-F662 HydrophobicContact CE1-CE1 4.1Å; F451-F662 HydrophobicContact CE1-CG 4.21Å; L542-F662 HydrophobicContact CD1-CD2 3.94Å; L542-F662 HydrophobicContact CD2-CD2 4.21Å; L542-F662 HydrophobicContact CD2-CE2 4.02Å; V583-F662 HydrophobicContact CG1-CE2 4.05Å; V583-F662 HydrophobicContact CG2-CD2 4.41Å; V583-F662 HydrophobicContact CG2-CE2 4.01Å; L586-F662 HydrophobicContact CD1-CE1 4.45Å; L586-F662 HydrophobicContact CD1-CE2 3.59Å; L586-F662 HydrophobicContact CD1-CZ 3.38Å; F587-F662 AromaticContact CE2-CZ 4Å; F587-F662 HydrophobicContact CE2-CZ 4Å; F587-F662 HydrophobicContact CZ-CE1 4.31Å; F587-F662 AromaticContact CZ-CZ 3.77Å; F587-F662 HydrophobicContact CZ-CZ 3.77Å; I660-F662 PolarHBondContact O-N 3.44Å; F662-A664 VanDerWaalsContact C-N 3.28Å; F662-A664 PolarHBondContact O-N 3.21Å; F662-A665 PolarHBondContact O-N 3.32Å; F662-A665 VanDerWaalsContact O-N 3.16Å; F662-V666 HydrophobicContact CD1-CG2 4.49Å; F662-V666 HydrophobicContact CD2-CG2 4.21Å; F662-V666 HydrophobicContact CE1-CG2 4.13Å; F662-V666 HydrophobicContact CE2-CG2 3.81Å; F662-V666 HydrophobicContact CZ-CG2 3.76Å; F662-V666 WeakPolarHBondContact O-CG2 3.35Å; F662-V666 PolarHBondContact O-N 3.34Å
663D83.4Confident90.3Very high68 Ų6817.5 Ų17.536%0.36410%0.095SC..Hα-helixtrans-60.4-36.9-175.7-61.5-43000112.6G452 K661 E717G452-D663 WeakPolarHBondContact CA-OD1 3.35Å; K661-D663 PolarHBondContact O-N 3.09Å; D663-E717 HydrophobicContact CB-CB 4.08Å
664A88.9Confident90.6Very high0 Ų018.6 Ų18.60%010%0.099CC..Hα-helixtrans-79.2-37.8176.300000112.3I660 K661 F662 V666 R667 I668 I715 I763I660-A664 HydrophobicContact CG2-CB 3.69Å; K661-A664 PolarHBondContact O-N 3.3Å; F662-A664 VanDerWaalsContact C-N 3.28Å; F662-A664 PolarHBondContact O-N 3.21Å; A664-V666 VanDerWaalsContact C-N 3.29Å; A664-V666 PolarHBondContact O-N 2.98Å; A664-R667 WeakPolarHBondContact O-CB 3.45Å; A664-R667 PolarHBondContact O-N 3.41Å; A664-R667 VanDerWaalsContact O-N 3.11Å; A664-I668 PolarHBondContact O-N 3.37Å; A664-I715 HydrophobicContact CB-CG2 3.9Å; A664-I763 HydrophobicContact CB-CB 3.92Å; A664-I763 HydrophobicContact CB-CG1 4.21Å; A664-I763 HydrophobicContact CB-CG2 4.11Å
665A90.6Very high90.6Very high0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-64.7-34.1178.600000112L657 I660 K661 F662 R667 I668 L669L657-A665 HydrophobicContact CD2-CB 3.83Å; I660-A665 HydrophobicContact CB-CB 4.23Å; I660-A665 HydrophobicContact CG2-CB 4.34Å; K661-A665 PolarHBondContact O-N 3.44Å; F662-A665 PolarHBondContact O-N 3.32Å; F662-A665 VanDerWaalsContact O-N 3.16Å; A665-R667 VanDerWaalsContact C-N 3.25Å; A665-R667 PolarHBondContact O-N 3.42Å; A665-I668 WeakPolarHBondContact O-CB 3.42Å; A665-I668 PolarHBondContact O-N 3.38Å; A665-L669 PolarHBondContact O-N 3.3Å
666V91.3Very high90.5Very high2 Ų219.3 Ų19.31%0.01210%0.104CC..Hα-helixtrans-61.5-32.3173.5171.20000112.2W499 V583 F587 F662 A664 I668 L669 D670W499-V666 HydrophobicContact CH2-CG1 4.22Å; W499-V666 HydrophobicContact CZ2-CG1 3.96Å; V583-V666 HydrophobicContact CG1-CG2 4.19Å; F587-V666 HydrophobicContact CE2-CG1 3.94Å; F587-V666 HydrophobicContact CE2-CG2 3.77Å; F587-V666 HydrophobicContact CZ-CG1 3.83Å; F587-V666 HydrophobicContact CZ-CG2 3.9Å; F662-V666 HydrophobicContact CD1-CG2 4.49Å; F662-V666 HydrophobicContact CD2-CG2 4.21Å; F662-V666 HydrophobicContact CE1-CG2 4.13Å; F662-V666 HydrophobicContact CE2-CG2 3.81Å; F662-V666 HydrophobicContact CZ-CG2 3.76Å; F662-V666 WeakPolarHBondContact O-CG2 3.35Å; F662-V666 PolarHBondContact O-N 3.34Å; A664-V666 VanDerWaalsContact C-N 3.29Å; A664-V666 PolarHBondContact O-N 2.98Å; V666-I668 VanDerWaalsContact C-N 3.3Å; V666-I668 PolarHBondContact O-N 3.34Å; V666-L669 WeakPolarHBondContact O-CB 3.36Å; V666-L669 PolarHBondContact O-N 2.92Å; V666-L669 VanDerWaalsContact O-N 3.14Å; V666-D670 PolarHBondContact O-N 3Å
667R91.7Very high90.4Very high8 Ų819.7 Ų19.73%0.0311%0.107CC..Hα-helixtrans-67.4-30.1174-64.8-62.9-49.3-77.6-12.1112.9L486 L487 E488 G489 A664 A665 D670 E717 I763 L767L486-R667 PolarHBondContact O-NH2 3.39Å; L487-R667 PolarHBondContact O-NH2 3.47Å; E488-R667 PolarHBondContact O-NH1 3.14Å; E488-R667 PolarHBondContact O-NH2 3.43Å; G489-R667 VanDerWaalsContact CA-NE 3.34Å; G489-R667 VanDerWaalsContact N-NH2 3.13Å; A664-R667 WeakPolarHBondContact O-CB 3.45Å; A664-R667 PolarHBondContact O-N 3.41Å; A664-R667 VanDerWaalsContact O-N 3.11Å; A665-R667 VanDerWaalsContact C-N 3.25Å; A665-R667 PolarHBondContact O-N 3.42Å; R667-D670 IonicContact NE-OD2 2.65Å; R667-E717 WeakPolarHBondContact CD-OE1 3.39Å; R667-E717 HydrophobicContact CG-CG 4.41Å; R667-E717 WeakPolarHBondContact CG-OE2 3.47Å; R667-E717 IonicContact CZ-OE1 2.64Å; R667-E717 IonicContact NE-OE1 3.02Å; R667-E717 VanDerWaalsContact NH1-CD 3.31Å; R667-E717 IonicContact NH1-OE1 2.7Å; R667-E717 PolarHBondContact NH1-OE1 3.13Å; R667-E717 IonicContact NH1-OE2 3.04Å; R667-E717 PolarHBondContact NH1-OE2 3.44Å; R667-E717 VanDerWaalsContact NH1-OE2 3.1Å; R667-I763 HydrophobicContact CB-CG1 4.01Å; R667-I763 HydrophobicContact CB-CG2 4.16Å; R667-I763 HydrophobicContact CG-CG2 3.93Å; R667-L767 HydrophobicContact CB-CD1 4.32Å
668I95.2Very high90.6Very high0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-68.3-40.7171.3-60.1172.7000109.3F656 I660 A664 A665 V666 D670 L671 F672 L679 V683 I763 L767F656-I668 HydrophobicContact CB-CD1 3.99Å; F656-I668 HydrophobicContact CD2-CD1 4.14Å; F656-I668 HydrophobicContact CD2-CG2 4.06Å; F656-I668 HydrophobicContact CG-CD1 4.08Å; I660-I668 HydrophobicContact CD1-CD1 3.63Å; A664-I668 PolarHBondContact O-N 3.37Å; A665-I668 WeakPolarHBondContact O-CB 3.42Å; A665-I668 PolarHBondContact O-N 3.38Å; V666-I668 VanDerWaalsContact C-N 3.3Å; V666-I668 PolarHBondContact O-N 3.34Å; I668-D670 PolarHBondContact O-N 2.89Å; I668-L671 PolarHBondContact O-N 3.26Å; I668-F672 VanDerWaalsContact O-CB 3.32Å; I668-F672 WeakPolarHBondContact O-CB 3.19Å; I668-F672 PolarHBondContact O-N 3.29Å; I668-L679 HydrophobicContact CG2-CD2 4.08Å; I668-L679 WeakPolarHBondContact O-CD2 3.38Å; I668-V683 HydrophobicContact CD1-CG1 4.23Å; I668-I763 HydrophobicContact CD1-CD1 4.24Å; I668-I763 HydrophobicContact CG1-CD1 4.04Å; I668-L767 HydrophobicContact CG1-CD2 4.46Å
669L95.6Very high91Very high3 Ų316.1 Ų16.12%0.0168%0.081CC..Hα-helixtrans-61.4-39.6176.3-70.2-179.8000113.3W499 V583 V655 L657 A665 V666 L671 F672 F673W499-L669 HydrophobicContact CH2-CB 3.96Å; W499-L669 HydrophobicContact CH2-CD1 3.72Å; W499-L669 HydrophobicContact CZ2-CB 3.58Å; W499-L669 HydrophobicContact CZ2-CD1 4.23Å; W499-L669 HydrophobicContact CZ3-CD1 4.38Å; V583-L669 HydrophobicContact CG1-CD1 3.73Å; V655-L669 HydrophobicContact CB-CD2 4.07Å; V655-L669 HydrophobicContact CG1-CD2 3.85Å; L657-L669 HydrophobicContact CD1-CD1 4.34Å; L657-L669 HydrophobicContact CD2-CD1 3.98Å; A665-L669 PolarHBondContact O-N 3.3Å; V666-L669 WeakPolarHBondContact O-CB 3.36Å; V666-L669 PolarHBondContact O-N 2.92Å; V666-L669 VanDerWaalsContact O-N 3.14Å; L669-L671 PolarHBondContact O-N 3.26Å; L669-F672 HydrophobicContact CD2-CD1 4.07Å; L669-F672 PolarHBondContact O-N 3.39Å; L669-F672 VanDerWaalsContact O-N 3.13Å; L669-F673 HydrophobicContact CB-CE2 4.27Å; L669-F673 WeakPolarHBondContact O-CD2 3.47Å; L669-F673 PolarHBondContact O-N 2.82Å; L669-F673 VanDerWaalsContact O-N 3.11Å
670D94.9Very high91.5Very high0 Ų015.1 Ų15.10%07%0.073CC..Hα-helixtrans-50.6-44.5175.4-73.1-20.4000111.9V490 R495 W499 V666 R667 I668V490-D670 HydrophobicContact CG2-CB 3.85Å; V490-D670 VanDerWaalsContact CG2-CG 3.44Å; V490-D670 PolarHBondContact N-OD2 3.34Å; R495-D670 IonicContact NE-OD1 3.91Å; R495-D670 PolarHBondContact NE-OD1 2.99Å; R495-D670 IonicContact NE-OD2 3.54Å; W499-D670 PolarHBondContact NE1-OD1 3.31Å; V666-D670 PolarHBondContact O-N 3Å; R667-D670 IonicContact NE-OD2 2.65Å; I668-D670 PolarHBondContact O-N 2.89Å
671L95.3Very high91.8Very high0 Ų014.9 Ų14.90%07%0.071CC..Hα-helixtrans-83.8-33.5178.4-73.7157.5000112.4L486 L487 I668 L669 F673 F674 E675 L679 L767 Y771L486-L671 HydrophobicContact CB-CD2 3.55Å; L486-L671 HydrophobicContact CB-CG 4.14Å; L487-L671 HydrophobicContact CD2-CD1 3.93Å; L487-L671 HydrophobicContact CD2-CD2 4.29Å; L487-L671 HydrophobicContact CG-CD2 4.29Å; I668-L671 PolarHBondContact O-N 3.26Å; L669-L671 PolarHBondContact O-N 3.26Å; L671-F673 VanDerWaalsContact C-N 3.33Å; L671-F673 PolarHBondContact O-N 3.31Å; L671-F674 CarbonylContact O-C 3.53Å; L671-F674 WeakPolarHBondContact O-CB 3.22Å; L671-F674 PolarHBondContact O-N 3.35Å; L671-E675 WeakPolarHBondContact O-CB 3.33Å; L671-E675 PolarHBondContact O-N 3.28Å; L671-L679 HydrophobicContact CB-CD1 4.28Å; L671-L679 HydrophobicContact CB-CD2 3.41Å; L671-L679 VanDerWaalsContact CB-CD2 3.41Å; L671-L679 HydrophobicContact CB-CG 4.48Å; L671-L767 HydrophobicContact CD1-CB 4.49Å; L671-L767 HydrophobicContact CD1-CD1 3.71Å; L671-L767 HydrophobicContact CD1-CD2 3.81Å; L671-L767 HydrophobicContact CD1-CG 4.21Å; L671-Y771 HydrophobicContact CD1-CE2 4.46Å
672F96.3Very high92.3Very high0 Ų09.3 Ų9.30%05%0.047CC..Hα-helixtrans-60.9-41-178.6168.3-104.5000111.9V600 L604 L605 V655 I668 L669 F674 E675 G676 L679 M680V600-F672 HydrophobicContact CG2-CE1 4.21Å; L604-F672 HydrophobicContact CB-CE1 4.26Å; L604-F672 HydrophobicContact CB-CE2 4.37Å; L604-F672 HydrophobicContact CB-CZ 3.69Å; L604-F672 HydrophobicContact CD1-CD1 4.43Å; L604-F672 HydrophobicContact CD1-CE1 3.76Å; L604-F672 HydrophobicContact CD1-CZ 4.06Å; L604-F672 HydrophobicContact CG-CZ 4.48Å; L605-F672 HydrophobicContact CD1-CE2 4.34Å; L605-F672 HydrophobicContact CD1-CZ 3.86Å; L605-F672 HydrophobicContact CD2-CE2 4.06Å; L605-F672 HydrophobicContact CD2-CZ 4.22Å; L605-F672 HydrophobicContact CG-CE2 4.18Å; L605-F672 HydrophobicContact CG-CZ 3.82Å; V655-F672 HydrophobicContact CG1-CB 4.35Å; V655-F672 HydrophobicContact CG1-CD1 4.24Å; V655-F672 HydrophobicContact CG1-CD2 4.04Å; V655-F672 HydrophobicContact CG1-CE2 4.43Å; V655-F672 HydrophobicContact CG1-CG 3.94Å; V655-F672 HydrophobicContact CG2-CE1 4.38Å; V655-F672 HydrophobicContact CG2-CZ 4.28Å; I668-F672 VanDerWaalsContact O-CB 3.32Å; I668-F672 WeakPolarHBondContact O-CB 3.19Å; I668-F672 PolarHBondContact O-N 3.29Å; L669-F672 HydrophobicContact CD2-CD1 4.07Å; L669-F672 PolarHBondContact O-N 3.39Å; L669-F672 VanDerWaalsContact O-N 3.13Å; F672-F674 PolarHBondContact O-N 2.83Å; F672-F674 VanDerWaalsContact O-N 3.16Å; F672-E675 PolarHBondContact O-N 2.78Å; F672-G676 VanDerWaalsContact O-CA 3.25Å; F672-G676 WeakPolarHBondContact O-CA 3.26Å; F672-G676 PolarHBondContact O-N 2.78Å; F672-L679 HydrophobicContact CB-CD2 4.05Å; F672-L679 VanDerWaalsContact N-CD2 3.32Å; F672-M680 HydrophobicContact CD2-CG 4.26Å; F672-M680 HydrophobicContact CD2-SD 4.08Å; F672-M680 HydrophobicContact CE2-CG 4.49Å; F672-M680 HydrophobicContact CE2-SD 3.73Å
673F95.9Very high92.9Very high0 Ų08.1 Ų8.10%04%0.042CC..Hα-helixtrans-66.2-16.1176.2-73.5-60.7000113.8W499 C502 S503 L584 L596 V600 L604 L669 L671W499-F673 HydrophobicContact CB-CD2 3.74Å; W499-F673 HydrophobicContact CB-CE2 4.08Å; W499-F673 HydrophobicContact CB-CG 4.22Å; W499-F673 AromaticContact CD1-CD2 3.69Å; W499-F673 AromaticContact CD2-CD2 3.59Å; W499-F673 HydrophobicContact CD2-CD2 3.59Å; W499-F673 AromaticContact CD2-CE2 3.46Å; W499-F673 HydrophobicContact CD2-CE2 3.46Å; W499-F673 VanDerWaalsContact CD2-CE2 3.46Å; W499-F673 AromaticContact CE2-CD2 3.93Å; W499-F673 AromaticContact CE2-CE2 3.96Å; W499-F673 HydrophobicContact CE3-CD2 4.18Å; W499-F673 AromaticContact CE3-CE2 3.55Å; W499-F673 HydrophobicContact CE3-CE2 3.55Å; W499-F673 HydrophobicContact CE3-CZ 4.37Å; W499-F673 AromaticContact CG-CD2 3.4Å; W499-F673 HydrophobicContact CG-CD2 3.4Å; W499-F673 AromaticContact CG-CE2 3.74Å; W499-F673 HydrophobicContact CG-CE2 3.74Å; W499-F673 HydrophobicContact CG-CG 4.27Å; W499-F673 HydrophobicContact CZ2-CE2 4.44Å; W499-F673 HydrophobicContact CZ3-CE2 4.1Å; C502-F673 CarbonylContact C-O 3.42Å; C502-F673 HydrophobicContact CB-CB 4.26Å; C502-F673 WeakPolarHBondContact CB-O 3.3Å; C502-F673 VanDerWaalsContact O-O 3.14Å; S503-F673 PolarHBondContact N-O 3.11Å; L584-F673 HydrophobicContact CD2-CE2 4.2Å; L584-F673 HydrophobicContact CD2-CZ 3.65Å; L596-F673 HydrophobicContact CD2-CD1 4.28Å; L596-F673 HydrophobicContact CD2-CE1 3.89Å; L596-F673 HydrophobicContact CD2-CZ 4.18Å; V600-F673 HydrophobicContact CG2-CE1 3.71Å; V600-F673 HydrophobicContact CG2-CZ 4.16Å; L604-F673 HydrophobicContact CD1-CD1 3.64Å; L604-F673 HydrophobicContact CD1-CE1 4Å; L669-F673 HydrophobicContact CB-CE2 4.27Å; L669-F673 WeakPolarHBondContact O-CD2 3.47Å; L669-F673 PolarHBondContact O-N 2.82Å; L669-F673 VanDerWaalsContact O-N 3.11Å; L671-F673 VanDerWaalsContact C-N 3.33Å; L671-F673 PolarHBondContact O-N 3.31Å
674F92.6Very high93.4Very high41 Ų414.9 Ų4.918%0.183%0.025CC..Hα-helixtrans-97.6-43.9176-178.7-103.4000112.7L482 H483 L486 C502 L671 F672L482-F674 HydrophobicContact CD2-CD2 4.21Å; L482-F674 HydrophobicContact CD2-CE2 3.84Å; L482-F674 HydrophobicContact CG-CE2 4.49Å; H483-F674 HydrophobicContact CB-CE1 4.12Å; H483-F674 AromaticContact CD2-CE1 3.8Å; L486-F674 HydrophobicContact CD1-CB 3.59Å; L486-F674 HydrophobicContact CD1-CD1 3.89Å; L486-F674 HydrophobicContact CD1-CD2 4.06Å; L486-F674 HydrophobicContact CD1-CG 3.57Å; C502-F674 HydrophobicContact CB-CB 4.29Å; L671-F674 CarbonylContact O-C 3.53Å; L671-F674 WeakPolarHBondContact O-CB 3.22Å; L671-F674 PolarHBondContact O-N 3.35Å; F672-F674 PolarHBondContact O-N 2.83Å; F672-F674 VanDerWaalsContact O-N 3.16Å
675E90.1Very high93.7Very high15 Ų154.9 Ų4.97%0.073%0.025CC..Hα-helixtrans-92.9-23.3-173.9-66.1-70.6157.700114.4R348 H483 L671 F672 R678 L679 Y771R348-E675 IonicContact CZ-OE1 3.21Å; R348-E675 VanDerWaalsContact CZ-OE1 3.24Å; R348-E675 IonicContact CZ-OE2 2.82Å; R348-E675 IonicContact NH1-OE1 3.44Å; R348-E675 PolarHBondContact NH1-OE1 3.12Å; R348-E675 IonicContact NH1-OE2 3.68Å; R348-E675 VanDerWaalsContact NH2-CD 3.25Å; R348-E675 IonicContact NH2-OE1 3.01Å; R348-E675 PolarHBondContact NH2-OE1 3.39Å; R348-E675 IonicContact NH2-OE2 3.12Å; R348-E675 PolarHBondContact NH2-OE2 2.64Å; H483-E675 IonicContact CD2-OE1 3.41Å; H483-E675 PolarHBondContact CD2-OE1 3.15Å; H483-E675 IonicContact NE2-OE1 3.33Å; H483-E675 PolarHBondContact NE2-OE1 2.7Å; L671-E675 WeakPolarHBondContact O-CB 3.33Å; L671-E675 PolarHBondContact O-N 3.28Å; F672-E675 PolarHBondContact O-N 2.78Å; E675-R678 IonicContact OE2-CZ 3.9Å; E675-R678 IonicContact OE2-NE 2.78Å; E675-R678 IonicContact OE2-NH2 3.77Å; E675-R678 PolarHBondContact OE2-NH2 3.05Å; E675-L679 HydrophobicContact CB-CB 3.99Å; E675-Y771 VanDerWaalsContact CG-OH 3.23Å; E675-Y771 WeakPolarHBondContact CG-OH 3.38Å; E675-Y771 PolarHBondContact OE1-OH 2.72Å
676G91.4Very high94Very high8 Ų84.9 Ų4.98%0.0823%0.025CC..THydrogen-bonded Turntrans67.8-157.3-169.200000113.5F672 R678 L679F672-G676 VanDerWaalsContact O-CA 3.25Å; F672-G676 WeakPolarHBondContact O-CA 3.26Å; F672-G676 PolarHBondContact O-N 2.78Å; G676-R678 PolarHBondContact O-N 2.94Å; G676-R678 VanDerWaalsContact O-N 3.07Å; G676-L679 PolarHBondContact O-N 3.35Å
677A90.1Very high94.1Very high7 Ų74.8 Ų4.86%0.0582%0.024CC..THydrogen-bonded Turntrans-58.4-23-17400000115.1L605 L679 M680 F681L605-A677 HydrophobicContact CD2-CB 3.92Å; A677-L679 PolarHBondContact O-N 3.14Å; A677-M680 HydrophobicContact CB-SD 4.41Å; A677-M680 WeakPolarHBondContact O-CB 3.5Å; A677-M680 PolarHBondContact O-N 3.28Å; A677-F681 WeakPolarHBondContact O-CD2 3.15Å
678R91.9Very high94.2Very high16 Ų164.4 Ų4.46%0.062%0.023CC..Hα-helixtrans-54.3-38.6177.5-172.6179.478.696.88.7112.5E675 G676 M680 F681 Q682 G775 F778 N780 I783E675-R678 IonicContact OE2-CZ 3.9Å; E675-R678 IonicContact OE2-NE 2.78Å; E675-R678 IonicContact OE2-NH2 3.77Å; E675-R678 PolarHBondContact OE2-NH2 3.05Å; G676-R678 PolarHBondContact O-N 2.94Å; G676-R678 VanDerWaalsContact O-N 3.07Å; R678-M680 VanDerWaalsContact C-N 3.25Å; R678-M680 PolarHBondContact O-N 2.92Å; R678-F681 PolarHBondContact O-N 3.37Å; R678-Q682 PolarHBondContact O-N 3.42Å; R678-G775 PolarHBondContact NH1-O 3.26Å; R678-F778 HydrophobicContact CG-CD2 4.07Å; R678-F778 HydrophobicContact CG-CE2 3.76Å; R678-N780 WeakPolarHBondContact CB-OD1 3.3Å; R678-N780 WeakPolarHBondContact CD-OD1 3.38Å; R678-I783 HydrophobicContact CB-CD1 3.86Å; R678-I783 HydrophobicContact CG-CD1 3.66Å
679L94.3Very high94.1Very high0 Ų07.7 Ų7.70%04%0.037CC..Hα-helixtrans-60.3-36.9177.9178.869.7000112I668 L671 F672 E675 G676 A677 F681 Q682 V683 Y771I668-L679 HydrophobicContact CG2-CD2 4.08Å; I668-L679 WeakPolarHBondContact O-CD2 3.38Å; L671-L679 HydrophobicContact CB-CD1 4.28Å; L671-L679 HydrophobicContact CB-CD2 3.41Å; L671-L679 VanDerWaalsContact CB-CD2 3.41Å; L671-L679 HydrophobicContact CB-CG 4.48Å; F672-L679 HydrophobicContact CB-CD2 4.05Å; F672-L679 VanDerWaalsContact N-CD2 3.32Å; E675-L679 HydrophobicContact CB-CB 3.99Å; G676-L679 PolarHBondContact O-N 3.35Å; A677-L679 PolarHBondContact O-N 3.14Å; L679-F681 PolarHBondContact O-N 3.11Å; L679-Q682 WeakPolarHBondContact O-CB 3.2Å; L679-Q682 PolarHBondContact O-N 3.25Å; L679-Q682 VanDerWaalsContact O-N 3.15Å; L679-V683 HydrophobicContact CD1-CG2 4Å; L679-V683 HydrophobicContact CG-CG2 4.16Å; L679-V683 WeakPolarHBondContact O-CG2 3.21Å; L679-V683 PolarHBondContact O-N 3.02Å; L679-Y771 HydrophobicContact CD1-CE2 4.07Å
680M94.8Very high93.9Very high1 Ų112.3 Ų12.31%0.0056%0.058CC..Hα-helixtrans-65.4-43.9-174.8-60.1166.162.300111.2L605 Y608 F652 V655 F656 F672 A677 R678 Q682 V683 A684L605-M680 HydrophobicContact CD2-CE 4.36Å; L605-M680 HydrophobicContact CD2-SD 3.72Å; Y608-M680 HydrophobicContact CE1-CE 4.28Å; F652-M680 HydrophobicContact CB-CE 3.59Å; F652-M680 HydrophobicContact CD1-CB 4.12Å; F652-M680 HydrophobicContact CD1-CE 3.73Å; F652-M680 HydrophobicContact CE1-CB 4Å; F652-M680 HydrophobicContact CG-CE 3.79Å; F652-M680 WeakPolarHBondContact O-CE 3.42Å; V655-M680 HydrophobicContact CG1-CG 4.38Å; V655-M680 HydrophobicContact CG1-SD 4.39Å; F656-M680 HydrophobicContact CE2-CB 4Å; F656-M680 HydrophobicContact CE2-CG 4.14Å; F656-M680 HydrophobicContact CZ-CB 4.49Å; F672-M680 HydrophobicContact CD2-CG 4.26Å; F672-M680 HydrophobicContact CD2-SD 4.08Å; F672-M680 HydrophobicContact CE2-CG 4.49Å; F672-M680 HydrophobicContact CE2-SD 3.73Å; A677-M680 HydrophobicContact CB-SD 4.41Å; A677-M680 WeakPolarHBondContact O-CB 3.5Å; A677-M680 PolarHBondContact O-N 3.28Å; R678-M680 VanDerWaalsContact C-N 3.25Å; R678-M680 PolarHBondContact O-N 2.92Å; M680-Q682 VanDerWaalsContact C-N 3.31Å; M680-Q682 PolarHBondContact O-N 2.78Å; M680-V683 PolarHBondContact O-N 3.2Å; M680-A684 VanDerWaalsContact O-CB 3.29Å; M680-A684 WeakPolarHBondContact O-CB 3.23Å; M680-A684 PolarHBondContact O-N 2.88Å
681F95.3Very high93.7Very high1 Ų112.4 Ų12.40%0.0046%0.059CC..Hα-helixtrans-59.9-43.4172.1-60.4-67.7000111.9D619 V622 F623 L626 F652 A677 R678 L679 A684 L685 F778 I783D619-F681 HydrophobicContact CB-CE1 4.09Å; D619-F681 HydrophobicContact CB-CZ 3.69Å; D619-F681 VanDerWaalsContact O-CE1 3.31Å; D619-F681 WeakPolarHBondContact O-CE1 3.44Å; V622-F681 HydrophobicContact CB-CE1 4.01Å; V622-F681 HydrophobicContact CB-CZ 4.08Å; V622-F681 HydrophobicContact CG1-CD1 4.5Å; V622-F681 HydrophobicContact CG1-CE1 3.83Å; V622-F681 HydrophobicContact CG1-CE2 4.47Å; V622-F681 HydrophobicContact CG1-CZ 3.8Å; F623-F681 HydrophobicContact CB-CD1 3.97Å; F623-F681 HydrophobicContact CB-CE1 4.04Å; F623-F681 HydrophobicContact CD2-CD1 4.11Å; L626-F681 HydrophobicContact CD1-CB 3.99Å; L626-F681 HydrophobicContact CD1-CD1 4.01Å; L626-F681 HydrophobicContact CD1-CG 4.02Å; F652-F681 HydrophobicContact CE2-CD1 4.05Å; F652-F681 AromaticContact CE2-CE1 3.82Å; F652-F681 HydrophobicContact CE2-CE1 3.82Å; F652-F681 AromaticContact CZ-CD1 3.89Å; F652-F681 HydrophobicContact CZ-CD1 3.89Å; F652-F681 HydrophobicContact CZ-CE1 4.15Å; A677-F681 WeakPolarHBondContact O-CD2 3.15Å; R678-F681 PolarHBondContact O-N 3.37Å; L679-F681 PolarHBondContact O-N 3.11Å; F681-A684 PolarHBondContact O-N 3.24Å; F681-L685 WeakPolarHBondContact O-CB 3.4Å; F681-L685 VanDerWaalsContact O-CG 3.22Å; F681-L685 WeakPolarHBondContact O-CG 3.24Å; F681-L685 PolarHBondContact O-N 3.32Å; F681-F778 HydrophobicContact CB-CE2 4.15Å; F681-F778 HydrophobicContact CB-CZ 4.04Å; F681-I783 HydrophobicContact CD2-CD1 3.72Å; F681-I783 HydrophobicContact CD2-CG1 4.44Å; F681-I783 HydrophobicContact CE2-CD1 3.98Å; F681-I783 HydrophobicContact CE2-CG1 4.44Å; F681-I783 HydrophobicContact CE2-CG2 3.88Å; F681-I783 HydrophobicContact CZ-CG2 4.48Å
682Q95.1Very high93.6Very high0 Ų015.5 Ų15.50%07%0.074CC..Hα-helixtrans-62.2-46.8-177.9-159.7-172.2-76.100111.8R678 L679 M680 E686 S770 Y771 F774 F778R678-Q682 PolarHBondContact O-N 3.42Å; L679-Q682 WeakPolarHBondContact O-CB 3.2Å; L679-Q682 PolarHBondContact O-N 3.25Å; L679-Q682 VanDerWaalsContact O-N 3.15Å; M680-Q682 VanDerWaalsContact C-N 3.31Å; M680-Q682 PolarHBondContact O-N 2.78Å; Q682-E686 PolarHBondContact O-N 3.14Å; Q682-E686 VanDerWaalsContact O-N 3.16Å; Q682-S770 WeakPolarHBondContact CG-O 3.38Å; Q682-S770 PolarHBondContact NE2-O 3.3Å; Q682-S770 PolarHBondContact NE2-OG 3.07Å; Q682-Y771 VanDerWaalsContact NE2-CA 3.33Å; Q682-Y771 VanDerWaalsContact NE2-N 3.12Å; Q682-F774 HydrophobicContact CG-CB 3.84Å; Q682-F778 HydrophobicContact CB-CZ 4.27Å
683V95.5Very high93.3Very high0 Ų023.5 Ų23.50%011%0.108CC..Hα-helixtrans-67.7-45.3178.6173.70000110.8F656 I668 L679 M680 L685 E686 M687 L766 L767F656-V683 HydrophobicContact CE1-CG1 4.3Å; F656-V683 HydrophobicContact CE2-CB 4.48Å; F656-V683 HydrophobicContact CE2-CG1 4.47Å; F656-V683 HydrophobicContact CZ-CB 4.23Å; F656-V683 HydrophobicContact CZ-CG1 4.13Å; I668-V683 HydrophobicContact CD1-CG1 4.23Å; L679-V683 HydrophobicContact CD1-CG2 4Å; L679-V683 HydrophobicContact CG-CG2 4.16Å; L679-V683 WeakPolarHBondContact O-CG2 3.21Å; L679-V683 PolarHBondContact O-N 3.02Å; M680-V683 PolarHBondContact O-N 3.2Å; V683-L685 VanDerWaalsContact C-N 3.35Å; V683-L685 PolarHBondContact O-N 2.94Å; V683-E686 PolarHBondContact O-N 3.03Å; V683-M687 HydrophobicContact CG1-CG 4.41Å; V683-M687 HydrophobicContact CG1-SD 3.9Å; V683-M687 VanDerWaalsContact O-CG 3.27Å; V683-M687 WeakPolarHBondContact O-CG 3.47Å; V683-M687 PolarHBondContact O-N 3.16Å; V683-L766 HydrophobicContact CG1-CD2 4.3Å; V683-L767 HydrophobicContact CG2-CD2 3.95Å
684A94.9Very high92.9Very high0 Ų025.6 Ų25.60%012%0.119CC..Hα-helixtrans-62.9-38.9178.800000112.7F623 W651 F652 F656 M680 F681 M687 L688F623-A684 HydrophobicContact CD2-CB 4.23Å; F623-A684 HydrophobicContact CE2-CB 3.4Å; F623-A684 VanDerWaalsContact CE2-CB 3.4Å; F623-A684 HydrophobicContact CZ-CB 3.59Å; W651-A684 HydrophobicContact CE3-CB 3.83Å; W651-A684 HydrophobicContact CZ3-CB 3.96Å; F652-A684 HydrophobicContact CE1-CB 3.92Å; F652-A684 HydrophobicContact CZ-CB 4.25Å; F656-A684 HydrophobicContact CE1-CB 4.38Å; F656-A684 HydrophobicContact CZ-CB 4.14Å; M680-A684 VanDerWaalsContact O-CB 3.29Å; M680-A684 WeakPolarHBondContact O-CB 3.23Å; M680-A684 PolarHBondContact O-N 2.88Å; F681-A684 PolarHBondContact O-N 3.24Å; A684-M687 PolarHBondContact O-N 3.39Å; A684-L688 WeakPolarHBondContact O-CG 3.37Å; A684-L688 PolarHBondContact O-N 3.38Å
685L95.6Very high92.8Very high0 Ų023.8 Ų23.80%011%0.111CC..Hα-helixtrans-63.2-41.6174.1-76.6168.5000111.7F623 L626 V627 L630 L631 F681 V683 L688 K689 F774 F778F623-L685 HydrophobicContact CD2-CG 4.49Å; F623-L685 HydrophobicContact CE2-CD2 4.06Å; F623-L685 HydrophobicContact CE2-CG 3.93Å; L626-L685 HydrophobicContact CB-CD1 4.35Å; L626-L685 HydrophobicContact CB-CD2 4.4Å; V627-L685 HydrophobicContact CG2-CD2 3.8Å; L630-L685 HydrophobicContact CD1-CD1 3.82Å; L631-L685 HydrophobicContact CD1-CD2 4.14Å; L631-L685 WeakPolarHBondContact CD1-O 3.4Å; F681-L685 WeakPolarHBondContact O-CB 3.4Å; F681-L685 VanDerWaalsContact O-CG 3.22Å; F681-L685 WeakPolarHBondContact O-CG 3.24Å; F681-L685 PolarHBondContact O-N 3.32Å; V683-L685 VanDerWaalsContact C-N 3.35Å; V683-L685 PolarHBondContact O-N 2.94Å; L685-L688 PolarHBondContact O-N 3.26Å; L685-K689 WeakPolarHBondContact O-CB 3.28Å; L685-K689 PolarHBondContact O-N 3.03Å; L685-F774 HydrophobicContact CB-CD1 4.47Å; L685-F774 HydrophobicContact CB-CD2 3.92Å; L685-F774 HydrophobicContact CB-CE1 4.3Å; L685-F774 HydrophobicContact CB-CE2 3.73Å; L685-F774 HydrophobicContact CB-CG 4.28Å; L685-F774 HydrophobicContact CB-CZ 3.91Å; L685-F774 HydrophobicContact CD1-CD1 4.21Å; L685-F774 HydrophobicContact CD1-CG 4.33Å; L685-F778 HydrophobicContact CD1-CE1 3.66Å; L685-F778 HydrophobicContact CD1-CZ 4.11Å
686E96Very high92.8Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-64-43.1176.9-169.863.9-162.800111.7Q682 V683 L688 K689 E690 L766 N769 N773 F774Q682-E686 PolarHBondContact O-N 3.14Å; Q682-E686 VanDerWaalsContact O-N 3.16Å; V683-E686 PolarHBondContact O-N 3.03Å; E686-L688 VanDerWaalsContact C-N 3.32Å; E686-L688 PolarHBondContact O-N 3.19Å; E686-K689 PolarHBondContact O-N 3.48Å; E686-E690 WeakPolarHBondContact O-CG 3.49Å; E686-E690 PolarHBondContact O-N 2.91Å; E686-L766 HydrophobicContact CB-CD1 4.1Å; E686-L766 HydrophobicContact CG-CD1 3.57Å; E686-N769 HydrophobicContact CG-CB 4.32Å; E686-N769 VanDerWaalsContact OE1-CB 3.27Å; E686-N769 WeakPolarHBondContact OE1-CB 3.16Å; E686-N773 VanDerWaalsContact CD-ND2 3.28Å; E686-N773 PolarHBondContact OE1-ND2 3.27Å; E686-N773 WeakPolarHBondContact OE2-CB 3.39Å; E686-N773 PolarHBondContact OE2-ND2 3.38Å; E686-F774 HydrophobicContact CB-CD2 4.47Å; E686-F774 HydrophobicContact CB-CE2 4.27Å; E686-F774 WeakPolarHBondContact OE2-CE2 3.49Å
687M93.1Very high92.7Very high0 Ų031.8 Ų31.80%015%0.152CC..Hα-helixtrans-59.6-41.5175.3-65.5167.662.600111.9W651 F656 I660 V683 A684 N691 Y711 T712 L766W651-M687 HydrophobicContact CD2-CE 4.41Å; W651-M687 HydrophobicContact CH2-CE 4.05Å; W651-M687 HydrophobicContact CZ2-CE 3.82Å; W651-M687 HydrophobicContact CZ3-CE 4.44Å; F656-M687 HydrophobicContact CD1-SD 4.17Å; F656-M687 HydrophobicContact CE1-SD 3.8Å; I660-M687 HydrophobicContact CD1-CE 4.48Å; I660-M687 HydrophobicContact CD1-SD 4.36Å; V683-M687 HydrophobicContact CG1-CG 4.41Å; V683-M687 HydrophobicContact CG1-SD 3.9Å; V683-M687 VanDerWaalsContact O-CG 3.27Å; V683-M687 WeakPolarHBondContact O-CG 3.47Å; V683-M687 PolarHBondContact O-N 3.16Å; A684-M687 PolarHBondContact O-N 3.39Å; M687-N691 PolarHBondContact O-N 3.31Å; M687-N691 PolarHBondContact O-ND2 3.36Å; M687-Y711 HydrophobicContact CB-CE1 4.17Å; M687-Y711 HydrophobicContact CG-CE1 4.07Å; M687-T712 HydrophobicContact CE-CG2 3.3Å; M687-L766 HydrophobicContact CG-CD1 4.33Å; M687-L766 HydrophobicContact CG-CD2 4.25Å
688L93.6Very high92.5Very high0 Ų031.9 Ų31.90%015%0.152CC..Hα-helixtrans-68.8-39.8175.9-71-174.4000112.6F623 V627 L631 V634 L638 W651 A684 L685 E686 N691 E692 I695 L708F623-L688 HydrophobicContact CE1-CD1 3.79Å; F623-L688 HydrophobicContact CZ-CD1 3.44Å; F623-L688 VanDerWaalsContact CZ-CD1 3.44Å; F623-L688 HydrophobicContact CZ-CG 4.17Å; V627-L688 HydrophobicContact CG1-CD1 4.28Å; V627-L688 HydrophobicContact CG2-CD1 3.61Å; L631-L688 HydrophobicContact CD1-CB 3.88Å; V634-L688 HydrophobicContact CG1-CB 4.39Å; V634-L688 HydrophobicContact CG1-CD1 4.37Å; L638-L688 HydrophobicContact CD1-CD1 4.3Å; W651-L688 HydrophobicContact CH2-CD2 4.21Å; A684-L688 WeakPolarHBondContact O-CG 3.37Å; A684-L688 PolarHBondContact O-N 3.38Å; L685-L688 PolarHBondContact O-N 3.26Å; E686-L688 VanDerWaalsContact C-N 3.32Å; E686-L688 PolarHBondContact O-N 3.19Å; L688-N691 CarbonylContact O-C 3.59Å; L688-N691 PolarHBondContact O-N 2.89Å; L688-E692 PolarHBondContact O-N 3.1Å; L688-I695 HydrophobicContact CD2-CD1 3.88Å; L688-L708 HydrophobicContact CD2-CD1 4.26Å; L688-L708 HydrophobicContact CD2-CD2 4.25Å
689K94.2Very high92.3Very high70 Ų7040.8 Ų40.830%0.30419%0.186SC..Hα-helixtrans-62.2-46.3178.6-176.9-177.2174.2-174.80111.7L631 L685 E686 N691 E692 N773 F774L631-K689 HydrophobicContact CD1-CB 4.11Å; L631-K689 HydrophobicContact CD2-CB 3.95Å; L631-K689 HydrophobicContact CD2-CD 4.49Å; L631-K689 HydrophobicContact CD2-CG 4.02Å; L685-K689 WeakPolarHBondContact O-CB 3.28Å; L685-K689 PolarHBondContact O-N 3.03Å; E686-K689 PolarHBondContact O-N 3.48Å; K689-N691 PolarHBondContact O-N 2.94Å; K689-E692 VanDerWaalsContact O-CB 3.26Å; K689-E692 WeakPolarHBondContact O-CB 3.36Å; K689-E692 PolarHBondContact O-N 2.94Å; K689-E692 VanDerWaalsContact O-N 3.11Å; K689-N773 PolarHBondContact NZ-ND2 3.38Å; K689-N773 PolarHBondContact NZ-OD1 3.18Å; K689-N773 VanDerWaalsContact NZ-OD1 3.09Å; K689-F774 HydrophobicContact CB-CZ 4.33Å; K689-F774 HydrophobicContact CD-CE2 4.1Å; K689-F774 HydrophobicContact CD-CZ 3.86Å
690E91.5Very high91.9Very high99 Ų9943.6 Ų43.646%0.46320%0.201SC..Hα-helixtrans-62.2-27.8177.7-74.1-64.2145.500112.4E686 Y711E686-E690 WeakPolarHBondContact O-CG 3.49Å; E686-E690 PolarHBondContact O-N 2.91Å; E690-Y711 HydrophobicContact CB-CE2 3.94Å; E690-Y711 WeakPolarHBondContact CB-OH 3.46Å
691N91Very high91.2Very high2 Ų246.2 Ų46.21%0.01122%0.215CC..THydrogen-bonded Turntrans-99.29.3177.8-67.9-80.9000113.8M687 L688 K689 K693 L694 I695 L708 Y711M687-N691 PolarHBondContact O-N 3.31Å; M687-N691 PolarHBondContact O-ND2 3.36Å; L688-N691 CarbonylContact O-C 3.59Å; L688-N691 PolarHBondContact O-N 2.89Å; K689-N691 PolarHBondContact O-N 2.94Å; N691-K693 VanDerWaalsContact C-N 3.34Å; N691-K693 PolarHBondContact O-N 3.42Å; N691-L694 PolarHBondContact O-N 2.87Å; N691-I695 HydrophobicContact CB-CD1 3.98Å; N691-I695 HydrophobicContact CB-CG1 4.28Å; N691-I695 WeakPolarHBondContact O-CG1 3.47Å; N691-I695 PolarHBondContact O-N 3.15Å; N691-L708 HydrophobicContact CB-CD2 4.04Å; N691-Y711 WeakPolarHBondContact ND2-CD1 3.49Å; N691-Y711 WeakPolarHBondContact ND2-CD2 3.44Å; N691-Y711 WeakPolarHBondContact ND2-CE2 3.12Å; N691-Y711 WeakPolarHBondContact OD1-CD2 3.48Å
692E92.4Very high90.6Very high66 Ų6646.8 Ų46.831%0.30822%0.221SC..Hα-helixtrans-53.3-47.7-172171.5175.4-169.700112.6T633 V634 L688 K689 L694 I695 C696T633-E692 PolarHBondContact OG1-OE1 3.47Å; V634-E692 HydrophobicContact CG2-CB 3.82Å; V634-E692 HydrophobicContact CG2-CG 3.64Å; L688-E692 PolarHBondContact O-N 3.1Å; K689-E692 VanDerWaalsContact O-CB 3.26Å; K689-E692 WeakPolarHBondContact O-CB 3.36Å; K689-E692 PolarHBondContact O-N 2.94Å; K689-E692 VanDerWaalsContact O-N 3.11Å; E692-L694 VanDerWaalsContact C-N 3.35Å; E692-L694 PolarHBondContact O-N 3.42Å; E692-I695 PolarHBondContact O-N 3.48Å; E692-C696 WeakPolarHBondContact O-CB 3.12Å; E692-C696 PolarHBondContact O-N 3.33Å; E692-C696 PolarHBondContact O-SG 3.49Å
693K90.6Very high90.1Very high167 Ų16749.8 Ų49.873%0.72624%0.235SC*.Hα-helixtrans-61.1-44.6-179.6-67.7-178.9-178.2174.80111.8N691 C696 E697N691-K693 VanDerWaalsContact C-N 3.34Å; N691-K693 PolarHBondContact O-N 3.42Å; K693-C696 PolarHBondContact O-N 3.3Å; K693-E697 WeakPolarHBondContact O-CB 3.4Å; K693-E697 VanDerWaalsContact O-CG 3.27Å; K693-E697 WeakPolarHBondContact O-CG 3.34Å; K693-E697 PolarHBondContact O-N 2.6Å
694L88Confident89.6Confident45 Ų4549.9 Ų49.924%0.23624%0.235CC..Hα-helixtrans-64.1-47.6-179.9-67.4171.9000110.4N691 E692 C696 E697 S698 F758N691-L694 PolarHBondContact O-N 2.87Å; E692-L694 VanDerWaalsContact C-N 3.35Å; E692-L694 PolarHBondContact O-N 3.42Å; L694-C696 VanDerWaalsContact C-N 3.34Å; L694-C696 PolarHBondContact O-N 3.45Å; L694-E697 PolarHBondContact O-N 3.26Å; L694-S698 PolarHBondContact O-N 3.19Å; L694-S698 PolarHBondContact O-OG 3.14Å; L694-S698 VanDerWaalsContact O-OG 3.06Å; L694-F758 HydrophobicContact CD1-CE1 3.66Å; L694-F758 HydrophobicContact CD1-CZ 3.72Å
695I89.6Confident89.1Confident2 Ų252.4 Ų52.41%0.0125%0.249CC..Hα-helixtrans-58.9-46.9178.8-65.3164.5000110.7V634 Q637 L638 L688 N691 E692 E697 S698 I704 L708V634-I695 HydrophobicContact CG1-CD1 3.96Å; V634-I695 HydrophobicContact CG1-CG2 4.12Å; Q637-I695 HydrophobicContact CB-CG2 4.34Å; Q637-I695 HydrophobicContact CG-CG2 3.98Å; Q637-I695 VanDerWaalsContact CG-O 3.3Å; Q637-I695 WeakPolarHBondContact CG-O 3.21Å; Q637-I695 PolarHBondContact NE2-O 2.86Å; L638-I695 HydrophobicContact CD2-CG2 4.28Å; L688-I695 HydrophobicContact CD2-CD1 3.88Å; N691-I695 HydrophobicContact CB-CD1 3.98Å; N691-I695 HydrophobicContact CB-CG1 4.28Å; N691-I695 WeakPolarHBondContact O-CG1 3.47Å; N691-I695 PolarHBondContact O-N 3.15Å; E692-I695 PolarHBondContact O-N 3.48Å; I695-E697 VanDerWaalsContact C-N 3.3Å; I695-E697 PolarHBondContact O-N 3Å; I695-S698 PolarHBondContact O-N 2.91Å; I695-I704 HydrophobicContact CG1-CG2 4.32Å; I695-I704 HydrophobicContact CG2-CD1 4Å; I695-I704 HydrophobicContact CG2-CG1 4.49Å; I695-L708 HydrophobicContact CD1-CD2 4.41Å
696C89.5Confident88.5Confident54 Ų5456 Ų5637%0.36527%0.266SS..Hα-helixtrans-65.7-31.1-179.4-67.10000113.2E692 K693 L694E692-C696 WeakPolarHBondContact O-CB 3.12Å; E692-C696 PolarHBondContact O-N 3.33Å; E692-C696 PolarHBondContact O-SG 3.49Å; K693-C696 PolarHBondContact O-N 3.3Å; L694-C696 VanDerWaalsContact C-N 3.34Å; L694-C696 PolarHBondContact O-N 3.45Å
697E89.1Confident87.9Confident137 Ų13757.4 Ų57.464%0.6428%0.276SS*.Hα-helixtrans-83.6-18.8178.8-72.1174.8-172.600113.4K693 L694 I695K693-E697 WeakPolarHBondContact O-CB 3.4Å; K693-E697 VanDerWaalsContact O-CG 3.27Å; K693-E697 WeakPolarHBondContact O-CG 3.34Å; K693-E697 PolarHBondContact O-N 2.6Å; L694-E697 PolarHBondContact O-N 3.26Å; I695-E697 VanDerWaalsContact C-N 3.3Å; I695-E697 PolarHBondContact O-N 3Å
698S87.6Confident87.6Confident9 Ų957.7 Ų57.76%0.06328%0.277CS..  trans-64.3147.7179.8-72.20000113.3Q637 L694 I695 E703 I704Q637-S698 PolarHBondContact NE2-O 2.95Å; L694-S698 PolarHBondContact O-N 3.19Å; L694-S698 PolarHBondContact O-OG 3.14Å; L694-S698 VanDerWaalsContact O-OG 3.06Å; I695-S698 PolarHBondContact O-N 2.91Å; S698-E703 VanDerWaalsContact CA-OE2 3.31Å; S698-E703 WeakPolarHBondContact CA-OE2 3.44Å; S698-I704 VanDerWaalsContact CB-CG1 3.42Å
699R86.1Confident87.1Confident204 Ų20459.8 Ų59.877%0.7730%0.295SS*.  trans-101.2-30.9-174.8-63.8-179.5179.5-174.21.4113.7E703R699-E703 PolarHBondContact N-OE2 2.91Å
700D85.7Confident86.6Confident59 Ų5959.8 Ų59.832%0.31630%0.295SS..SBendtrans-135.8171.1-178.658.672.9000110.9G702 E703D700-G702 WeakPolarHBondContact OD1-CA 3.12Å; D700-G702 PolarHBondContact OD1-N 3Å; D700-G702 VanDerWaalsContact OD1-N 3.09Å; D700-E703 PolarHBondContact OD1-N 3.38Å
701D81.4Confident86.5Confident56 Ų5655.3 Ų55.330%0.29927%0.274SS..Hα-helixtrans-66.1-39.7179.556.6-21.8000112.8L643 E703 I704 L705L643-D701 HydrophobicContact CD1-CB 3.75Å; L643-D701 HydrophobicContact CD2-CB 3.92Å; L643-D701 HydrophobicContact CG-CB 3.82Å; D701-E703 PolarHBondContact O-N 2.91Å; D701-I704 PolarHBondContact O-N 3.31Å; D701-L705 WeakPolarHBondContact O-CG 3.14Å; D701-L705 PolarHBondContact O-N 3.39Å
702G82.4Confident86.4Confident12 Ų1255.6 Ų55.612%0.12428%0.275CS..Hα-helixtrans-57.4-45.7177.400000113.3D700 I704 L705 M706D700-G702 WeakPolarHBondContact OD1-CA 3.12Å; D700-G702 PolarHBondContact OD1-N 3Å; D700-G702 VanDerWaalsContact OD1-N 3.09Å; G702-I704 VanDerWaalsContact C-N 3.31Å; G702-I704 PolarHBondContact O-N 2.98Å; G702-L705 PolarHBondContact O-N 2.95Å; G702-M706 WeakPolarHBondContact O-CB 3.46Å; G702-M706 VanDerWaalsContact O-CG 3.29Å; G702-M706 WeakPolarHBondContact O-CG 3.48Å; G702-M706 PolarHBondContact O-N 3.09Å
703E84.4Confident86Confident64 Ų6458 Ų5830%0.29929%0.287SS..Hα-helixtrans-58.9-39.7177.2-76.4-175.2168.200112.6S698 R699 D700 D701 S707S698-E703 VanDerWaalsContact CA-OE2 3.31Å; S698-E703 WeakPolarHBondContact CA-OE2 3.44Å; R699-E703 PolarHBondContact N-OE2 2.91Å; D700-E703 PolarHBondContact OD1-N 3.38Å; D701-E703 PolarHBondContact O-N 2.91Å; E703-S707 VanDerWaalsContact O-CB 3.24Å; E703-S707 WeakPolarHBondContact O-CB 3.43Å; E703-S707 PolarHBondContact O-N 3.02Å; E703-S707 PolarHBondContact O-OG 3.06Å
704I84.9Confident85.9Confident1 Ų150.7 Ų50.71%0.00526%0.257CS..Hα-helixtrans-69.1-50.5178.7-67.5174.5000110L638 L641 L643 I695 S698 D701 G702 M706 S707 L708L638-I704 HydrophobicContact CD2-CD1 4.38Å; L638-I704 HydrophobicContact CD2-CG2 4.33Å; L641-I704 HydrophobicContact CD1-CD1 3.36Å; L641-I704 HydrophobicContact CD1-CG1 4.49Å; L643-I704 HydrophobicContact CD1-CB 4.01Å; L643-I704 HydrophobicContact CD1-CD1 4.08Å; L643-I704 HydrophobicContact CD1-CG2 4.03Å; I695-I704 HydrophobicContact CG1-CG2 4.32Å; I695-I704 HydrophobicContact CG2-CD1 4Å; I695-I704 HydrophobicContact CG2-CG1 4.49Å; S698-I704 VanDerWaalsContact CB-CG1 3.42Å; D701-I704 PolarHBondContact O-N 3.31Å; G702-I704 VanDerWaalsContact C-N 3.31Å; G702-I704 PolarHBondContact O-N 2.98Å; I704-M706 VanDerWaalsContact C-N 3.32Å; I704-M706 PolarHBondContact O-N 3.2Å; I704-S707 PolarHBondContact O-N 3.05Å; I704-S707 VanDerWaalsContact O-N 3.15Å; I704-L708 HydrophobicContact CG2-CD1 3.8Å; I704-L708 HydrophobicContact CG2-CG 4.27Å; I704-L708 WeakPolarHBondContact O-CB 3.47Å; I704-L708 WeakPolarHBondContact O-CG 3.34Å; I704-L708 PolarHBondContact O-N 2.79Å
705L83.9Confident86Confident54 Ų5448.6 Ų48.628%0.28325%0.246SC..Hα-helixtrans-60.3-43.2-178.5-68.1175000111.3L643 V647 D701 G702 L708 A709L643-L705 HydrophobicContact CD2-CD1 4.34Å; L643-L705 HydrophobicContact CD2-CD2 4.4Å; L643-L705 HydrophobicContact CD2-CG 4.43Å; V647-L705 HydrophobicContact CG2-CD2 4.2Å; D701-L705 WeakPolarHBondContact O-CG 3.14Å; D701-L705 PolarHBondContact O-N 3.39Å; G702-L705 PolarHBondContact O-N 2.95Å; L705-L708 PolarHBondContact O-N 3.43Å; L705-A709 WeakPolarHBondContact O-CB 3.4Å; L705-A709 PolarHBondContact O-N 2.89Å
706M82.7Confident85.7Confident76 Ų7650.9 Ų50.937%0.37426%0.255SS..Hα-helixtrans-65-40.5175.1-71.4-177.475.100112.6G702 I704 K710G702-M706 WeakPolarHBondContact O-CB 3.46Å; G702-M706 VanDerWaalsContact O-CG 3.29Å; G702-M706 WeakPolarHBondContact O-CG 3.48Å; G702-M706 PolarHBondContact O-N 3.09Å; I704-M706 VanDerWaalsContact C-N 3.32Å; I704-M706 PolarHBondContact O-N 3.2Å; M706-K710 WeakPolarHBondContact O-CB 3.42Å; M706-K710 WeakPolarHBondContact O-CG 3.37Å; M706-K710 PolarHBondContact O-N 2.58Å
707S83.1Confident85.3Confident28 Ų2851.8 Ų51.820%0.19625%0.253CS..Hα-helixtrans-64.2-45178-62.50000111.4E703 I704 K710 Y711E703-S707 VanDerWaalsContact O-CB 3.24Å; E703-S707 WeakPolarHBondContact O-CB 3.43Å; E703-S707 PolarHBondContact O-N 3.02Å; E703-S707 PolarHBondContact O-OG 3.06Å; I704-S707 PolarHBondContact O-N 3.05Å; I704-S707 VanDerWaalsContact O-N 3.15Å; S707-K710 PolarHBondContact O-N 3.29Å; S707-Y711 WeakPolarHBondContact O-CB 3.43Å; S707-Y711 PolarHBondContact O-N 3.11Å
708L86.9Confident84.1Confident6 Ų647.1 Ų47.13%0.03124%0.242CC..Hα-helixtrans-65.7-42.7177.3-70.8176.4000111.9V647 W651 L688 N691 I695 I704 L705 Y711 T712V647-L708 HydrophobicContact CG1-CD1 3.73Å; V647-L708 HydrophobicContact CG2-CD1 4.32Å; W651-L708 HydrophobicContact CH2-CD1 4.31Å; W651-L708 HydrophobicContact CZ2-CD1 4.34Å; L688-L708 HydrophobicContact CD2-CD1 4.26Å; L688-L708 HydrophobicContact CD2-CD2 4.25Å; N691-L708 HydrophobicContact CB-CD2 4.04Å; I695-L708 HydrophobicContact CD1-CD2 4.41Å; I704-L708 HydrophobicContact CG2-CD1 3.8Å; I704-L708 HydrophobicContact CG2-CG 4.27Å; I704-L708 WeakPolarHBondContact O-CB 3.47Å; I704-L708 WeakPolarHBondContact O-CG 3.34Å; I704-L708 PolarHBondContact O-N 2.79Å; L705-L708 PolarHBondContact O-N 3.43Å; L708-Y711 WeakPolarHBondContact O-CB 3.26Å; L708-Y711 PolarHBondContact O-N 3.22Å; L708-T712 VanDerWaalsContact O-CG2 3.24Å; L708-T712 WeakPolarHBondContact O-CG2 3.43Å; L708-T712 PolarHBondContact O-N 3.45Å
709A84.3Confident82.1Confident45 Ų4553.7 Ų53.737%0.37228%0.277SS..Hα-helixtrans-61.5-44.4175.800000112.1L705 Y711 T712 E713L705-A709 WeakPolarHBondContact O-CB 3.4Å; L705-A709 PolarHBondContact O-N 2.89Å; A709-Y711 VanDerWaalsContact C-N 3.32Å; A709-Y711 PolarHBondContact O-N 3.25Å; A709-T712 PolarHBondContact O-N 3.46Å; A709-T712 PolarHBondContact O-OG1 3.3Å; A709-E713 WeakPolarHBondContact O-CG 3.49Å; A709-E713 PolarHBondContact O-N 3.22Å
710K84.3Confident80Confident69 Ų6949.8 Ų49.830%0.328%0.276SS..Hα-helixtrans-63.7-37.3174.5-74.4175.6-178.9174.10112.4M706 S707 S714 I754 F758M706-K710 WeakPolarHBondContact O-CB 3.42Å; M706-K710 WeakPolarHBondContact O-CG 3.37Å; M706-K710 PolarHBondContact O-N 2.58Å; S707-K710 PolarHBondContact O-N 3.29Å; K710-S714 PolarHBondContact O-N 3.38Å; K710-I754 PolarHBondContact NZ-O 3.35Å; K710-F758 HydrophobicContact CB-CD2 3.82Å; K710-F758 HydrophobicContact CB-CE2 3.55Å; K710-F758 HydrophobicContact CD-CE2 4.44Å
711Y88.7Confident77.6Confident6 Ų650.7 Ų50.72%0.02428%0.283CS..Hα-helixtrans-63.6-47174.9176.9-90.1000110.7M687 E690 N691 S707 L708 A709 E713 S714 I715 F758 I761M687-Y711 HydrophobicContact CB-CE1 4.17Å; M687-Y711 HydrophobicContact CG-CE1 4.07Å; E690-Y711 HydrophobicContact CB-CE2 3.94Å; E690-Y711 WeakPolarHBondContact CB-OH 3.46Å; N691-Y711 WeakPolarHBondContact ND2-CD1 3.49Å; N691-Y711 WeakPolarHBondContact ND2-CD2 3.44Å; N691-Y711 WeakPolarHBondContact ND2-CE2 3.12Å; N691-Y711 WeakPolarHBondContact OD1-CD2 3.48Å; S707-Y711 WeakPolarHBondContact O-CB 3.43Å; S707-Y711 PolarHBondContact O-N 3.11Å; L708-Y711 WeakPolarHBondContact O-CB 3.26Å; L708-Y711 PolarHBondContact O-N 3.22Å; A709-Y711 VanDerWaalsContact C-N 3.32Å; A709-Y711 PolarHBondContact O-N 3.25Å; Y711-E713 VanDerWaalsContact C-N 3.31Å; Y711-E713 PolarHBondContact O-N 3.39Å; Y711-S714 WeakPolarHBondContact O-CB 3.49Å; Y711-S714 PolarHBondContact O-N 3.16Å; Y711-S714 PolarHBondContact O-OG 3.34Å; Y711-I715 HydrophobicContact CD1-CD1 4.3Å; Y711-I715 HydrophobicContact CE1-CD1 3.96Å; Y711-I715 HydrophobicContact CE1-CG1 4.39Å; Y711-F758 HydrophobicContact CD2-CD1 4.05Å; Y711-F758 HydrophobicContact CD2-CE1 4.11Å; Y711-I761 HydrophobicContact CD2-CD1 3.78Å; Y711-I761 HydrophobicContact CE1-CD1 4.49Å; Y711-I761 HydrophobicContact CE2-CD1 3.13Å
712T88.8Confident75.5Confident7 Ų753.8 Ų53.84%0.04330%0.304CS..Hα-helixtrans-64.7-34.8179.8650000112.7A659 I660 M687 L708 A709 S714 I715A659-T712 WeakPolarHBondContact O-CB 3.36Å; A659-T712 PolarHBondContact O-OG1 3.45Å; I660-T712 HydrophobicContact CG1-CG2 4.48Å; M687-T712 HydrophobicContact CE-CG2 3.3Å; L708-T712 VanDerWaalsContact O-CG2 3.24Å; L708-T712 WeakPolarHBondContact O-CG2 3.43Å; L708-T712 PolarHBondContact O-N 3.45Å; A709-T712 PolarHBondContact O-N 3.46Å; A709-T712 PolarHBondContact O-OG1 3.3Å; T712-S714 PolarHBondContact O-N 2.69Å; T712-I715 PolarHBondContact O-N 2.91Å
713E84.8Confident73.1Confident116 Ų11661.4 Ų61.454%0.54234%0.336SS..Hα-helixtrans-64.9-24.2172-74.8177.5-172.700113.7K661 A709 Y711 I715K661-E713 WeakPolarHBondContact CE-O 3.26Å; K661-E713 PolarHBondContact NZ-O 3.47Å; A709-E713 WeakPolarHBondContact O-CG 3.49Å; A709-E713 PolarHBondContact O-N 3.22Å; Y711-E713 VanDerWaalsContact C-N 3.31Å; Y711-E713 PolarHBondContact O-N 3.39Å; E713-I715 VanDerWaalsContact C-N 3.33Å
714S87.3Confident70.8Confident15 Ų1566.4 Ų66.411%0.10535%0.352CS..Hα-helixtrans-80.5-13.4179.3800000113.7K710 Y711 T712 I761K710-S714 PolarHBondContact O-N 3.38Å; Y711-S714 WeakPolarHBondContact O-CB 3.49Å; Y711-S714 PolarHBondContact O-N 3.16Å; Y711-S714 PolarHBondContact O-OG 3.34Å; T712-S714 PolarHBondContact O-N 2.69Å; S714-I761 PolarHBondContact O-N 3.38Å
715I89.7Confident68Low0 Ų075.5 Ų75.50%039%0.392CS..EExtended strand (participates in β ladder)trans-76.9132178.8-55.6167.8000109.9I660 A664 Y711 T712 E713 I761 I763 L766I660-I715 HydrophobicContact CD1-CD1 3.93Å; I660-I715 HydrophobicContact CG1-CD1 4.15Å; I660-I715 HydrophobicContact CG2-CB 4.17Å; I660-I715 HydrophobicContact CG2-CG2 4.11Å; A664-I715 HydrophobicContact CB-CG2 3.9Å; Y711-I715 HydrophobicContact CD1-CD1 4.3Å; Y711-I715 HydrophobicContact CE1-CD1 3.96Å; Y711-I715 HydrophobicContact CE1-CG1 4.39Å; T712-I715 PolarHBondContact O-N 2.91Å; E713-I715 VanDerWaalsContact C-N 3.33Å; I715-I761 WeakPolarHBondContact CA-O 3.41Å; I715-I763 HydrophobicContact CG2-CB 3.93Å; I715-I763 HydrophobicContact CG2-CD1 3.99Å; I715-I763 HydrophobicContact CG2-CG1 4.47Å; I715-L766 HydrophobicContact CD1-CD2 3.84Å
716Y84.9Confident65.3Low51 Ų5178.7 Ų78.720%0.242%0.416CS..EExtended strand (participates in β ladder)trans-148.7162.2-174.871.8-65.3000112.6G718 K760 I761 P762 I763Y716-G718 WeakPolarHBondContact CD2-O 3.47Å; Y716-G718 WeakPolarHBondContact CE2-O 3.48Å; Y716-K760 HydrophobicContact CD1-CB 3.59Å; Y716-K760 HydrophobicContact CE1-CB 3.16Å; Y716-K760 HydrophobicContact CE1-CG 4.41Å; Y716-K760 HydrophobicContact CE2-CB 4.46Å; Y716-K760 HydrophobicContact CG-CB 4.47Å; Y716-I761 VanDerWaalsContact CD1-C 3.41Å; Y716-I761 WeakPolarHBondContact CD1-O 3.17Å; Y716-I761 WeakPolarHBondContact CE1-O 3.25Å; Y716-I761 PolarHBondContact N-O 2.68Å; Y716-P762 HydrophobicContact CE1-CG 4.07Å; Y716-P762 WeakPolarHBondContact O-CA 3.11Å; Y716-I763 PolarHBondContact O-N 3.4Å
717E79.5Confident62.8Low72 Ų7279.5 Ų79.534%0.33643%0.429SS..SBendtrans-105.3120.9174.9178.668.2179.300110D663 R667 I763D663-E717 HydrophobicContact CB-CB 4.08Å; R667-E717 WeakPolarHBondContact CD-OE1 3.39Å; R667-E717 HydrophobicContact CG-CG 4.41Å; R667-E717 WeakPolarHBondContact CG-OE2 3.47Å; R667-E717 IonicContact CZ-OE1 2.64Å; R667-E717 IonicContact NE-OE1 3.02Å; R667-E717 VanDerWaalsContact NH1-CD 3.31Å; R667-E717 IonicContact NH1-OE1 2.7Å; R667-E717 PolarHBondContact NH1-OE1 3.13Å; R667-E717 IonicContact NH1-OE2 3.04Å; R667-E717 PolarHBondContact NH1-OE2 3.44Å; R667-E717 VanDerWaalsContact NH1-OE2 3.1Å; E717-I763 HydrophobicContact CB-CG2 4.25Å; E717-I763 WeakPolarHBondContact OE2-CG2 3.43Å
718G64.6Low60.3Low39 Ų3984.7 Ų84.740%0.40246%0.46SS..SBendtrans76.3157.6172.900000116.9Y716 T720Y716-G718 WeakPolarHBondContact CD2-O 3.47Å; Y716-G718 WeakPolarHBondContact CE2-O 3.48Å; G718-T720 VanDerWaalsContact C-N 3.34Å; G718-T720 PolarHBondContact O-N 3.5Å
719D46.3Very low57.7Low147 Ų14789.5 Ų89.579%0.78649%0.489SS*.SBendtrans-73-10.8-172.2-74.6-32.1000116.4
720T41Very low55.2Low122 Ų12295.1 Ų95.175%0.74851%0.507SS*.  trans-99.8115.8-17245.90000112.9G718 V722G718-T720 VanDerWaalsContact C-N 3.34Å; G718-T720 PolarHBondContact O-N 3.5Å; T720-V722 PolarHBondContact O-N 2.87Å
721V36Very low52.9Low79 Ų7995.1 Ų95.148%0.47951%0.51SS..  trans-76.9117.2-178.5-169.60000110.7E723 K760V721-E723 HydrophobicContact CG1-CB 4.4Å; V721-E723 HydrophobicContact CG1-CG 3.43Å; V721-E723 VanDerWaalsContact CG1-CG 3.43Å; V721-K760 VanDerWaalsContact CG1-NZ 3.3Å
722V37.4Very low50.1Low121 Ų12197.7 Ų97.773%0.73354%0.539SS*.  trans-101.9102.7148.3-1780000106.1T720 R724T720-V722 PolarHBondContact O-N 2.87Å; V722-R724 PolarHBondContact O-N 3.47Å
723E31.3Very low47.9Very low171 Ų17197.8 Ų97.880%0.79954%0.539SS*.  trans-64.8131.3175.7-66.7-168.2157.300109.6V721V721-E723 HydrophobicContact CG1-CB 4.4Å; V721-E723 HydrophobicContact CG1-CG 3.43Å; V721-E723 VanDerWaalsContact CG1-CG 3.43Å
724R36Very low45.8Very low169 Ų16997.8 Ų97.864%0.63855%0.547SS*.  trans-130.2144.4167-73.2-171.9-177.5157.12.6110.6V722V722-R724 PolarHBondContact O-N 3.47Å
725K26.4Very low43.5Very low192 Ų192104.1 Ų104.184%0.83558%0.579SS**  trans-66.5140.2-177.7-81.5178.5172.5178.60111.2S727K725-S727 PolarHBondContact O-N 3.05Å
726P26.9Very low41Very low121 Ų121106.6 Ų106.679%0.78659%0.592SS**  trans-67.3131.517129.2-31.7000109
727S30.4Very low38.7Very low93 Ų93105.5 Ų105.565%0.6559%0.591SS**  trans-120.1112.2172.9-53.50000108.5K725 V729K725-S727 PolarHBondContact O-N 3.05Å; S727-V729 PolarHBondContact O-N 2.85Å
728T30.6Very low36.6Very low137 Ų137107.7 Ų107.784%0.8461%0.605SS**  trans-62.1115.4171.9-41.80000109.1
729V31.8Very low35.4Very low107 Ų107109.1 Ų109.165%0.64860%0.603SS**  trans-121.7120.3172.7179.10000108.3S727S727-V729 PolarHBondContact O-N 2.85Å
730Q31.9Very low35.1Very low163 Ų163104.7 Ų104.776%0.76258%0.578SS**  trans-73.5119.3171.5-72.8-179.6-22.900109.2
731L36.7Very low34.9Very low69 Ų69104.8 Ų104.836%0.36157%0.57SS.*  trans-84.1120.9175.4-155.674000108.5T733 E740L731-T733 HydrophobicContact CD2-CG2 4.07Å; L731-T733 HydrophobicContact CG-CG2 4.16Å; L731-E740 WeakPolarHBondContact CB-OE1 3.37Å; L731-E740 WeakPolarHBondContact CB-OE2 3.25Å; L731-E740 WeakPolarHBondContact CD2-OE1 3.4Å; L731-E740 WeakPolarHBondContact CD2-OE2 3.18Å
732G29.1Very low34.9Very low60 Ų60103.3 Ų103.362%0.61957%0.566SS**  trans-91.6100.8177.200000111.6R540R540-G732 PolarHBondContact NH1-O 3.31Å
733T44.1Very low34.9Very low9 Ų999 Ų996%0.05554%0.543CS..  trans-136.4145.1-17642.50000108.5Q575 L731 L736 S737 E740Q575-T733 VanDerWaalsContact CD-CG2 3.42Å; Q575-T733 VanDerWaalsContact OE1-CG2 3.28Å; L731-T733 HydrophobicContact CD2-CG2 4.07Å; L731-T733 HydrophobicContact CG-CG2 4.16Å; T733-L736 VanDerWaalsContact CB-CB 3.49Å; T733-L736 HydrophobicContact CG2-CB 3.88Å; T733-L736 HydrophobicContact CG2-CD1 4.13Å; T733-L736 WeakPolarHBondContact OG1-CA 3.39Å; T733-L736 WeakPolarHBondContact OG1-CB 3.34Å; T733-S737 WeakPolarHBondContact O-CA 3.23Å; T733-S737 WeakPolarHBondContact O-CB 3.29Å; T733-S737 PolarHBondContact O-N 3.33Å; T733-S737 PolarHBondContact O-OG 3.29Å; T733-S737 PolarHBondContact OG1-N 2.78Å; T733-E740 PolarHBondContact OG1-OE2 3.29Å
734T40Very low35.3Very low116 Ų11692.8 Ų92.871%0.71252%0.519SS*.SBendtrans-97.8-11.1-176.4-360000114.1S737T734-S737 VanDerWaalsContact C-OG 3.28Å; T734-S737 WeakPolarHBondContact CA-OG 3.38Å; T734-S737 PolarHBondContact O-OG 2.82Å
735I38.7Very low35.4Very low149 Ų14988.5 Ų88.576%0.76451%0.511SS*.SBendtrans-109.7-31.1172.4-59.6177.6000110.3
736L38.5Very low35.9Very low52 Ų5282.8 Ų82.827%0.27249%0.488SS..SBendtrans-85-11.6166.3-74.3159.9000112T733 D738 L739 E740T733-L736 VanDerWaalsContact CB-CB 3.49Å; T733-L736 HydrophobicContact CG2-CB 3.88Å; T733-L736 HydrophobicContact CG2-CD1 4.13Å; T733-L736 WeakPolarHBondContact OG1-CA 3.39Å; T733-L736 WeakPolarHBondContact OG1-CB 3.34Å; L736-D738 VanDerWaalsContact C-N 3.29Å; L736-D738 PolarHBondContact O-N 3.37Å; L736-L739 PolarHBondContact O-N 3.31Å; L736-E740 WeakPolarHBondContact O-CA 3.27Å; L736-E740 WeakPolarHBondContact O-CB 3.42Å; L736-E740 PolarHBondContact O-N 3.14Å
737S36.2Very low36.7Very low27 Ų2781.6 Ų81.619%0.18947%0.474CS..Hα-helixtrans-58-46.117339.40000109.9T733 T734 L739 E740 E741T733-S737 WeakPolarHBondContact O-CA 3.23Å; T733-S737 WeakPolarHBondContact O-CB 3.29Å; T733-S737 PolarHBondContact O-N 3.33Å; T733-S737 PolarHBondContact O-OG 3.29Å; T733-S737 PolarHBondContact OG1-N 2.78Å; T734-S737 VanDerWaalsContact C-OG 3.28Å; T734-S737 WeakPolarHBondContact CA-OG 3.38Å; T734-S737 PolarHBondContact O-OG 2.82Å; S737-L739 PolarHBondContact O-N 3.09Å; S737-E740 PolarHBondContact O-N 2.86Å; S737-E741 VanDerWaalsContact O-CA 3.29Å; S737-E741 WeakPolarHBondContact O-CA 3.41Å; S737-E741 WeakPolarHBondContact O-CB 3.46Å; S737-E741 PolarHBondContact O-N 3.47Å
738D35Very low37.1Very low118 Ų11882.8 Ų82.863%0.63147%0.473SS*.Hα-helixtrans-70.8-26.2-170.7-61.20.8000110.8L736 A742L736-D738 VanDerWaalsContact C-N 3.29Å; L736-D738 PolarHBondContact O-N 3.37Å; D738-A742 WeakPolarHBondContact O-CB 3.25Å; D738-A742 PolarHBondContact O-N 3.48Å
739L38.8Very low37.3Very low69 Ų6984.8 Ų84.836%0.36147%0.471SS..Hα-helixtrans-86.1-42.1176.2-89.7142.6000113.2M646 L736 S737 A743M646-L739 HydrophobicContact CE-CD2 3.34Å; M646-L739 HydrophobicContact CE-CG 4.32Å; M646-L739 HydrophobicContact CG-CD2 3.76Å; M646-L739 HydrophobicContact SD-CD2 3.3Å; M646-L739 WeakPolarHBondContact SD-CD2 3.4Å; L736-L739 PolarHBondContact O-N 3.31Å; S737-L739 PolarHBondContact O-N 3.09Å; L739-A743 VanDerWaalsContact O-CB 3.23Å; L739-A743 WeakPolarHBondContact O-CB 3.28Å; L739-A743 PolarHBondContact O-N 3.44Å
740E39.3Very low37.5Very low54 Ų5485.3 Ų85.325%0.25247%0.468SS..Hα-helixtrans-81-28.7178.4-76.9-179.3121.200112.6L731 T733 L736 S737 S744L731-E740 WeakPolarHBondContact CB-OE1 3.37Å; L731-E740 WeakPolarHBondContact CB-OE2 3.25Å; L731-E740 WeakPolarHBondContact CD2-OE1 3.4Å; L731-E740 WeakPolarHBondContact CD2-OE2 3.18Å; T733-E740 PolarHBondContact OG1-OE2 3.29Å; L736-E740 WeakPolarHBondContact O-CA 3.27Å; L736-E740 WeakPolarHBondContact O-CB 3.42Å; L736-E740 PolarHBondContact O-N 3.14Å; S737-E740 PolarHBondContact O-N 2.86Å; E740-S744 WeakPolarHBondContact O-CA 3.3Å; E740-S744 WeakPolarHBondContact O-CB 3.25Å; E740-S744 PolarHBondContact O-N 3.28Å; E740-S744 PolarHBondContact O-OG 3.04Å
741E37.1Very low37.9Very low125 Ų12581.2 Ų81.258%0.58447%0.469SS*.Hα-helixtrans-74.4-37.3170.4-165.8173.7-166.100108.8S737 T745S737-E741 VanDerWaalsContact O-CA 3.29Å; S737-E741 WeakPolarHBondContact O-CA 3.41Å; S737-E741 WeakPolarHBondContact O-CB 3.46Å; S737-E741 PolarHBondContact O-N 3.47Å; E741-T745 WeakPolarHBondContact O-CA 3.45Å; E741-T745 WeakPolarHBondContact O-CB 2.91Å; E741-T745 PolarHBondContact O-N 3.3Å; E741-T745 PolarHBondContact O-OG1 2.94Å
742A36.2Very low37.8Very low47 Ų4782.9 Ų82.939%0.38848%0.482SS..Hα-helixtrans-62.2-47.6166.700000111.7D738 M746D738-A742 WeakPolarHBondContact O-CB 3.25Å; D738-A742 PolarHBondContact O-N 3.48Å; A742-M746 VanDerWaalsContact O-CB 3.25Å; A742-M746 WeakPolarHBondContact O-CB 3.25Å; A742-M746 VanDerWaalsContact O-CG 3.24Å; A742-M746 WeakPolarHBondContact O-CG 3.42Å; A742-M746 PolarHBondContact O-N 3.03Å
743A37.7Very low38.3Very low30 Ų3087.3 Ų87.325%0.24849%0.492CS..Hα-helixtrans-68.9-43.3179.800000113.1L739 M746 I747L739-A743 VanDerWaalsContact O-CB 3.23Å; L739-A743 WeakPolarHBondContact O-CB 3.28Å; L739-A743 PolarHBondContact O-N 3.44Å; A743-M746 PolarHBondContact O-N 2.66Å; A743-I747 WeakPolarHBondContact O-CB 3.2Å; A743-I747 VanDerWaalsContact O-CD1 3.32Å; A743-I747 WeakPolarHBondContact O-CD1 3.33Å; A743-I747 WeakPolarHBondContact O-CG1 3.2Å; A743-I747 PolarHBondContact O-N 3.38Å
744S38.9Very low38.2Very low42 Ų4291 Ų9129%0.29451%0.51SS..Hα-helixtrans-78.9-31.9-178-57.20000112.6E740 N748E740-S744 WeakPolarHBondContact O-CA 3.3Å; E740-S744 WeakPolarHBondContact O-CB 3.25Å; E740-S744 PolarHBondContact O-N 3.28Å; E740-S744 PolarHBondContact O-OG 3.04Å; S744-N748 WeakPolarHBondContact O-CB 3.49Å; S744-N748 PolarHBondContact O-N 3.18Å; S744-N748 PolarHBondContact O-ND2 3.05Å
745T38.4Very low38.2Very low78 Ų7891.6 Ų91.648%0.47951%0.514SS..Hα-helixtrans-70.4-37170.1-52.80000109.8E741 N748 F749E741-T745 WeakPolarHBondContact O-CA 3.45Å; E741-T745 WeakPolarHBondContact O-CB 2.91Å; E741-T745 PolarHBondContact O-N 3.3Å; E741-T745 PolarHBondContact O-OG1 2.94Å; T745-N748 PolarHBondContact O-N 2.87Å; T745-F749 WeakPolarHBondContact O-CB 3.5Å; T745-F749 PolarHBondContact O-N 2.72Å
746M38.5Very low38.6Very low72 Ų7292.4 Ų92.436%0.35551%0.507SS..Hα-helixtrans-65.1-43.1170.9-79.4-161-8300113.1A742 A743 N748 F749 M750A742-M746 VanDerWaalsContact O-CB 3.25Å; A742-M746 WeakPolarHBondContact O-CB 3.25Å; A742-M746 VanDerWaalsContact O-CG 3.24Å; A742-M746 WeakPolarHBondContact O-CG 3.42Å; A742-M746 PolarHBondContact O-N 3.03Å; A743-M746 PolarHBondContact O-N 2.66Å; M746-N748 VanDerWaalsContact C-N 3.3Å; M746-N748 PolarHBondContact O-N 3.44Å; M746-F749 PolarHBondContact O-N 3.42Å; M746-M750 PolarHBondContact O-N 2.77Å; M746-M750 VanDerWaalsContact O-N 3.12Å
747I42.5Very low39.3Very low96 Ų9696.3 Ų96.349%0.49253%0.534SS..Hα-helixtrans-61.5-36.1176.9-71.9161.3000111.9A743A743-I747 WeakPolarHBondContact O-CB 3.2Å; A743-I747 VanDerWaalsContact O-CD1 3.32Å; A743-I747 WeakPolarHBondContact O-CD1 3.33Å; A743-I747 WeakPolarHBondContact O-CG1 3.2Å; A743-I747 PolarHBondContact O-N 3.38Å
748N39.1Very low40.6Very low119 Ų11997.6 Ų97.664%0.63654%0.536SS*.Hα-helixtrans-87.7-24.3178.7-71.9-43.8000113.9S744 T745 M746S744-N748 WeakPolarHBondContact O-CB 3.49Å; S744-N748 PolarHBondContact O-N 3.18Å; S744-N748 PolarHBondContact O-ND2 3.05Å; T745-N748 PolarHBondContact O-N 2.87Å; M746-N748 VanDerWaalsContact C-N 3.3Å; M746-N748 PolarHBondContact O-N 3.44Å
749F35.2Very low42.5Very low179 Ų17996.6 Ų96.679%0.78554%0.536SS*.Hα-helixtrans-83.7-24.6-178.6-164.6-99.5000112.8T745 M746T745-F749 WeakPolarHBondContact O-CB 3.5Å; T745-F749 PolarHBondContact O-N 2.72Å; M746-F749 PolarHBondContact O-N 3.42Å
750M35.6Very low44.4Very low118 Ų11898.4 Ų98.458%0.58154%0.541SS*.  trans-104.272.8178.5-60.9-16073.400111.9M746 T752M746-M750 PolarHBondContact O-N 2.77Å; M746-M750 VanDerWaalsContact O-N 3.12Å; M750-T752 VanDerWaalsContact C-N 3.26Å; M750-T752 PolarHBondContact O-N 3.12Å
751G40Very low46.6Very low77 Ų7797.2 Ų97.279%0.79454%0.536SS*.  trans-65.585.5162.300000110.7
752T35.8Very low49.1Very low104 Ų10493 Ų9364%0.63852%0.52SS*.  trans-143.1126166.644.90000111.9M750 I754M750-T752 VanDerWaalsContact C-N 3.26Å; M750-T752 PolarHBondContact O-N 3.12Å; T752-I754 PolarHBondContact O-N 3.33Å; T752-I754 VanDerWaalsContact O-N 3.09Å
753D38.1Very low51.7Low153 Ų15390.8 Ų90.882%0.81850%0.501SS*.  trans-47.2102.9173.2-72.9-57.8000113.5
754I41.4Very low54.2Low87 Ų8790.6 Ų90.645%0.44650%0.502SS..  trans-125.877.3154.2-52.9176.7000107.7K710 T752 R756K710-I754 PolarHBondContact NZ-O 3.35Å; T752-I754 PolarHBondContact O-N 3.33Å; T752-I754 VanDerWaalsContact O-N 3.09Å; I754-R756 HydrophobicContact CG2-CB 4.29Å; I754-R756 HydrophobicContact CG2-CG 3.9Å; I754-R756 PolarHBondContact O-N 3.33Å
755T40.5Very low56.7Low127 Ų12792.9 Ų92.978%0.77951%0.511SS*.  trans-75.670.1166.6420000109.7
756R48.6Very low59.3Low166 Ų16689.3 Ų89.363%0.62649%0.489SS*.  trans-99112.2164.5-73.9-177.4179.3177.60.4108.4I754I754-R756 HydrophobicContact CG2-CB 4.29Å; I754-R756 HydrophobicContact CG2-CG 3.9Å; I754-R756 PolarHBondContact O-N 3.33Å
757T53Low62Low135 Ų13585.9 Ų85.983%0.82847%0.472SS*.PPolyproline II helixtrans-83.3119.2178.551.10000109.7
758F63.2Low64.3Low53 Ų5383.6 Ų83.623%0.23247%0.468CS..PPolyproline II helixtrans-73.3138.7167.9-72.2-92.8000109.5L694 K710 Y711L694-F758 HydrophobicContact CD1-CE1 3.66Å; L694-F758 HydrophobicContact CD1-CZ 3.72Å; K710-F758 HydrophobicContact CB-CD2 3.82Å; K710-F758 HydrophobicContact CB-CE2 3.55Å; K710-F758 HydrophobicContact CD-CE2 4.44Å; Y711-F758 HydrophobicContact CD2-CD1 4.05Å; Y711-F758 HydrophobicContact CD2-CE1 4.11Å
759P73.5Confident67Low98 Ų9880.6 Ų80.664%0.63645%0.451SS*.PPolyproline II helixtrans-60.4147.4167.328.6-32.6000108.4I761P759-I761 WeakPolarHBondContact O-CG1 3.23Å; P759-I761 PolarHBondContact O-N 3.3Å
760K78.9Confident69.9Low106 Ų10672 Ų7246%0.46141%0.414SS..PPolyproline II helixtrans-64.3133175-58.8-172.5171.2178.70108.5Y716 V721Y716-K760 HydrophobicContact CD1-CB 3.59Å; Y716-K760 HydrophobicContact CE1-CB 3.16Å; Y716-K760 HydrophobicContact CE1-CG 4.41Å; Y716-K760 HydrophobicContact CE2-CB 4.46Å; Y716-K760 HydrophobicContact CG-CB 4.47Å; V721-K760 VanDerWaalsContact CG1-NZ 3.3Å
761I86.3Confident72.6Confident29 Ų2967.8 Ų67.815%0.14939%0.391CS..EExtended strand (participates in β ladder)trans-111115.6-178.1-54.5176.4000111Y711 S714 I715 Y716 P759 I763Y711-I761 HydrophobicContact CD2-CD1 3.78Å; Y711-I761 HydrophobicContact CE1-CD1 4.49Å; Y711-I761 HydrophobicContact CE2-CD1 3.13Å; S714-I761 PolarHBondContact O-N 3.38Å; I715-I761 WeakPolarHBondContact CA-O 3.41Å; Y716-I761 VanDerWaalsContact CD1-C 3.41Å; Y716-I761 WeakPolarHBondContact CD1-O 3.17Å; Y716-I761 WeakPolarHBondContact CE1-O 3.25Å; Y716-I761 PolarHBondContact N-O 2.68Å; P759-I761 WeakPolarHBondContact O-CG1 3.23Å; P759-I761 PolarHBondContact O-N 3.3Å; I761-I763 PolarHBondContact O-N 3.02Å
762P89Confident75.1Confident38 Ų3871.5 Ų71.525%0.24739%0.388CS..EExtended strand (participates in β ladder)trans-63.6128.5173.8-21.133.5000110.7Y716 G764 D765 L766Y716-P762 HydrophobicContact CE1-CG 4.07Å; Y716-P762 WeakPolarHBondContact O-CA 3.11Å; P762-G764 PolarHBondContact O-N 3.04Å; P762-D765 HydrophobicContact CB-CB 4.44Å; P762-D765 WeakPolarHBondContact CG-OD2 3.33Å; P762-D765 WeakPolarHBondContact O-CB 3.44Å; P762-D765 PolarHBondContact O-N 2.87Å; P762-L766 PolarHBondContact O-N 2.93Å
763I91.4Very high77.9Confident0 Ų068.8 Ų68.80%037%0.37CS..Hα-helixtrans-60.3-31177.8-179.259.1000112.4A664 R667 I668 I715 Y716 E717 I761 D765 L766 L767A664-I763 HydrophobicContact CB-CB 3.92Å; A664-I763 HydrophobicContact CB-CG1 4.21Å; A664-I763 HydrophobicContact CB-CG2 4.11Å; R667-I763 HydrophobicContact CB-CG1 4.01Å; R667-I763 HydrophobicContact CB-CG2 4.16Å; R667-I763 HydrophobicContact CG-CG2 3.93Å; I668-I763 HydrophobicContact CD1-CD1 4.24Å; I668-I763 HydrophobicContact CG1-CD1 4.04Å; I715-I763 HydrophobicContact CG2-CB 3.93Å; I715-I763 HydrophobicContact CG2-CD1 3.99Å; I715-I763 HydrophobicContact CG2-CG1 4.47Å; Y716-I763 PolarHBondContact O-N 3.4Å; E717-I763 HydrophobicContact CB-CG2 4.25Å; E717-I763 WeakPolarHBondContact OE2-CG2 3.43Å; I761-I763 PolarHBondContact O-N 3.02Å; I763-D765 VanDerWaalsContact C-N 3.28Å; I763-D765 PolarHBondContact O-N 3.2Å; I763-L766 HydrophobicContact CD1-CB 4.33Å; I763-L766 HydrophobicContact CD1-CD2 3.87Å; I763-L766 PolarHBondContact O-N 3.27Å; I763-L767 HydrophobicContact CD1-CD1 4.37Å; I763-L767 HydrophobicContact CD1-CG 4.07Å; I763-L767 HydrophobicContact CG1-CD1 3.97Å; I763-L767 HydrophobicContact CG1-CG 4.18Å; I763-L767 WeakPolarHBondContact O-CB 3.48Å; I763-L767 VanDerWaalsContact O-CG 3.27Å; I763-L767 WeakPolarHBondContact O-CG 3.33Å; I763-L767 PolarHBondContact O-N 3.43Å
764G89.9Confident80.6Confident26 Ų2662 Ų6227%0.26833%0.333SS..Hα-helixtrans-58.2-39.5173.400000113P762 A768P762-G764 PolarHBondContact O-N 3.04Å; G764-A768 VanDerWaalsContact O-CB 3.3Å; G764-A768 WeakPolarHBondContact O-CB 3.12Å; G764-A768 PolarHBondContact O-N 2.89Å
765D91.3Very high82.7Confident90 Ų9058.3 Ų58.348%0.48132%0.317SS..Hα-helixtrans-71.2-43.4178-65.4-17.8000110.7P762 I763 L767 A768 N769P762-D765 HydrophobicContact CB-CB 4.44Å; P762-D765 WeakPolarHBondContact CG-OD2 3.33Å; P762-D765 WeakPolarHBondContact O-CB 3.44Å; P762-D765 PolarHBondContact O-N 2.87Å; I763-D765 VanDerWaalsContact C-N 3.28Å; I763-D765 PolarHBondContact O-N 3.2Å; D765-L767 VanDerWaalsContact C-N 3.33Å; D765-L767 PolarHBondContact O-N 3.34Å; D765-A768 PolarHBondContact O-N 3.45Å; D765-N769 VanDerWaalsContact O-CB 3.26Å; D765-N769 WeakPolarHBondContact O-CB 3.04Å; D765-N769 PolarHBondContact O-N 2.73Å; D765-N769 PolarHBondContact O-ND2 2.95Å; D765-N769 PolarHBondContact O-OD1 3.09Å
766L93.4Very high84.9Confident3 Ų363.1 Ų63.12%0.01632%0.322CS..Hα-helixtrans-58.1-46.5175.1-179.768.7000111.3V683 E686 M687 I715 P762 I763 S770V683-L766 HydrophobicContact CG1-CD2 4.3Å; E686-L766 HydrophobicContact CB-CD1 4.1Å; E686-L766 HydrophobicContact CG-CD1 3.57Å; M687-L766 HydrophobicContact CG-CD1 4.33Å; M687-L766 HydrophobicContact CG-CD2 4.25Å; I715-L766 HydrophobicContact CD1-CD2 3.84Å; P762-L766 PolarHBondContact O-N 2.93Å; I763-L766 HydrophobicContact CD1-CB 4.33Å; I763-L766 HydrophobicContact CD1-CD2 3.87Å; I763-L766 PolarHBondContact O-N 3.27Å; L766-S770 VanDerWaalsContact O-CB 3.31Å; L766-S770 WeakPolarHBondContact O-CB 3.24Å; L766-S770 PolarHBondContact O-N 3.05Å
767L94.3Very high86.9Confident0 Ų057.7 Ų57.70%031%0.309CS..Hα-helixtrans-63.2-50.7177.6-70.1170.9000110.7L487 R667 I668 L671 V683 I763 D765 N769 S770 Y771L487-L767 HydrophobicContact CD2-CB 4.25Å; R667-L767 HydrophobicContact CB-CD1 4.32Å; I668-L767 HydrophobicContact CG1-CD2 4.46Å; L671-L767 HydrophobicContact CD1-CB 4.49Å; L671-L767 HydrophobicContact CD1-CD1 3.71Å; L671-L767 HydrophobicContact CD1-CD2 3.81Å; L671-L767 HydrophobicContact CD1-CG 4.21Å; V683-L767 HydrophobicContact CG2-CD2 3.95Å; I763-L767 HydrophobicContact CD1-CD1 4.37Å; I763-L767 HydrophobicContact CD1-CG 4.07Å; I763-L767 HydrophobicContact CG1-CD1 3.97Å; I763-L767 HydrophobicContact CG1-CG 4.18Å; I763-L767 WeakPolarHBondContact O-CB 3.48Å; I763-L767 VanDerWaalsContact O-CG 3.27Å; I763-L767 WeakPolarHBondContact O-CG 3.33Å; I763-L767 PolarHBondContact O-N 3.43Å; D765-L767 VanDerWaalsContact C-N 3.33Å; D765-L767 PolarHBondContact O-N 3.34Å; L767-N769 PolarHBondContact O-N 3.44Å; L767-S770 PolarHBondContact O-N 2.94Å; L767-S770 PolarHBondContact O-OG 3.24Å; L767-Y771 VanDerWaalsContact O-CD2 3.32Å; L767-Y771 WeakPolarHBondContact O-CD2 3.44Å; L767-Y771 PolarHBondContact O-N 3.14Å; L767-Y771 VanDerWaalsContact O-N 3.16Å
768A92.6Very high88.7Confident48 Ų4851.4 Ų51.440%0.39727%0.27SS..Hα-helixtrans-58.3-46.2179.300000112.2G764 D765 S770 Y771 Q772G764-A768 VanDerWaalsContact O-CB 3.3Å; G764-A768 WeakPolarHBondContact O-CB 3.12Å; G764-A768 PolarHBondContact O-N 2.89Å; D765-A768 PolarHBondContact O-N 3.45Å; A768-S770 PolarHBondContact O-N 2.63Å; A768-Y771 PolarHBondContact O-N 3.02Å; A768-Q772 PolarHBondContact O-N 2.73Å
769N94.6Very high89.8Confident55 Ų5552 Ų5229%0.29428%0.278SS..Hα-helixtrans-63.5-41.1178.1-68.9-10.3000111.4E686 D765 L767 Y771 Q772 N773E686-N769 HydrophobicContact CG-CB 4.32Å; E686-N769 VanDerWaalsContact OE1-CB 3.27Å; E686-N769 WeakPolarHBondContact OE1-CB 3.16Å; D765-N769 VanDerWaalsContact O-CB 3.26Å; D765-N769 WeakPolarHBondContact O-CB 3.04Å; D765-N769 PolarHBondContact O-N 2.73Å; D765-N769 PolarHBondContact O-ND2 2.95Å; D765-N769 PolarHBondContact O-OD1 3.09Å; L767-N769 PolarHBondContact O-N 3.44Å; N769-Y771 VanDerWaalsContact C-N 3.28Å; N769-Y771 PolarHBondContact O-N 2.78Å; N769-Q772 PolarHBondContact O-N 2.89Å; N769-Q772 VanDerWaalsContact O-N 3.15Å; N769-N773 VanDerWaalsContact O-CB 3.25Å; N769-N773 WeakPolarHBondContact O-CB 3.48Å; N769-N773 VanDerWaalsContact O-CG 3.25Å; N769-N773 PolarHBondContact O-N 3.29Å; N769-N773 PolarHBondContact O-ND2 3.34Å
770S95.9Very high90.3Very high0 Ų051.7 Ų51.70%027%0.271CS..Hα-helixtrans-59.5-38.817778.70000112Q682 L766 L767 A768 F774 G775Q682-S770 WeakPolarHBondContact CG-O 3.38Å; Q682-S770 PolarHBondContact NE2-O 3.3Å; Q682-S770 PolarHBondContact NE2-OG 3.07Å; L766-S770 VanDerWaalsContact O-CB 3.31Å; L766-S770 WeakPolarHBondContact O-CB 3.24Å; L766-S770 PolarHBondContact O-N 3.05Å; L767-S770 PolarHBondContact O-N 2.94Å; L767-S770 PolarHBondContact O-OG 3.24Å; A768-S770 PolarHBondContact O-N 2.63Å; S770-F774 WeakPolarHBondContact O-CA 3.42Å; S770-F774 WeakPolarHBondContact O-CB 3.41Å; S770-F774 PolarHBondContact O-N 3.34Å; S770-G775 PolarHBondContact O-N 2.79Å
771Y92.6Very high90.4Very high28 Ų2853.5 Ų53.511%0.1128%0.282CS..Hα-helixtrans-72.2-39.3176-85.3-85.2000112.1H483 L487 L671 E675 L679 Q682 L767 A768 N769 G775H483-Y771 AromaticContact CE1-CD1 3.94Å; H483-Y771 AromaticContact CE1-CE1 3.47Å; H483-Y771 VanDerWaalsContact CE1-CE1 3.47Å; H483-Y771 WeakPolarHBondContact CE1-CE1 3.32Å; H483-Y771 AromaticContact CE1-CZ 3.79Å; H483-Y771 AromaticContact NE2-CE1 3.3Å; H483-Y771 VanDerWaalsContact NE2-CE1 3.3Å; H483-Y771 WeakPolarHBondContact NE2-CE1 3.25Å; H483-Y771 AromaticContact NE2-CZ 3.26Å; H483-Y771 VanDerWaalsContact NE2-CZ 3.26Å; H483-Y771 PolarHBondContact NE2-OH 3.19Å; L487-Y771 HydrophobicContact CD2-CD2 3.64Å; L487-Y771 HydrophobicContact CD2-CE2 3.62Å; L671-Y771 HydrophobicContact CD1-CE2 4.46Å; E675-Y771 VanDerWaalsContact CG-OH 3.23Å; E675-Y771 WeakPolarHBondContact CG-OH 3.38Å; E675-Y771 PolarHBondContact OE1-OH 2.72Å; L679-Y771 HydrophobicContact CD1-CE2 4.07Å; Q682-Y771 VanDerWaalsContact NE2-CA 3.33Å; Q682-Y771 VanDerWaalsContact NE2-N 3.12Å; L767-Y771 VanDerWaalsContact O-CD2 3.32Å; L767-Y771 WeakPolarHBondContact O-CD2 3.44Å; L767-Y771 PolarHBondContact O-N 3.14Å; L767-Y771 VanDerWaalsContact O-N 3.16Å; A768-Y771 PolarHBondContact O-N 3.02Å; N769-Y771 VanDerWaalsContact C-N 3.28Å; N769-Y771 PolarHBondContact O-N 2.78Å; Y771-G775 VanDerWaalsContact O-CA 3.27Å; Y771-G775 WeakPolarHBondContact O-CA 3.34Å; Y771-G775 PolarHBondContact O-N 3.29Å
772Q93.4Very high90.4Very high155 Ų15555.3 Ų55.372%0.72429%0.292SS*.Hα-helixtrans-64.5-42.7177.4-178.5176.7-5.100111.8A768 N769A768-Q772 PolarHBondContact O-N 2.73Å; N769-Q772 PolarHBondContact O-N 2.89Å; N769-Q772 VanDerWaalsContact O-N 3.15Å
773N94.2Very high90.4Very high48 Ų4853.6 Ų53.626%0.25728%0.28SS..Hα-helixtrans-83.2-38.5-174.1-69.1-30.2000112.6E686 K689 N769 C777E686-N773 VanDerWaalsContact CD-ND2 3.28Å; E686-N773 PolarHBondContact OE1-ND2 3.27Å; E686-N773 WeakPolarHBondContact OE2-CB 3.39Å; E686-N773 PolarHBondContact OE2-ND2 3.38Å; K689-N773 PolarHBondContact NZ-ND2 3.38Å; K689-N773 PolarHBondContact NZ-OD1 3.18Å; K689-N773 VanDerWaalsContact NZ-OD1 3.09Å; N769-N773 VanDerWaalsContact O-CB 3.25Å; N769-N773 WeakPolarHBondContact O-CB 3.48Å; N769-N773 VanDerWaalsContact O-CG 3.25Å; N769-N773 PolarHBondContact O-N 3.29Å; N769-N773 PolarHBondContact O-ND2 3.34Å; N773-C777 PolarHBondContact O-SG 2.91Å
774F95Very high90.1Very high9 Ų957.7 Ų57.74%0.03930%0.299CS..Hα-helixtrans-127.6-8.2-168.6-57.9-66000114.9L630 L631 Q682 L685 E686 K689 S770 Y776 C777 F778L630-F774 HydrophobicContact CB-CE1 4.23Å; L630-F774 HydrophobicContact CD1-CD1 4.1Å; L630-F774 HydrophobicContact CD1-CE1 4.38Å; L631-F774 HydrophobicContact CD2-CZ 4.33Å; Q682-F774 HydrophobicContact CG-CB 3.84Å; L685-F774 HydrophobicContact CB-CD1 4.47Å; L685-F774 HydrophobicContact CB-CD2 3.92Å; L685-F774 HydrophobicContact CB-CE1 4.3Å; L685-F774 HydrophobicContact CB-CE2 3.73Å; L685-F774 HydrophobicContact CB-CG 4.28Å; L685-F774 HydrophobicContact CB-CZ 3.91Å; L685-F774 HydrophobicContact CD1-CD1 4.21Å; L685-F774 HydrophobicContact CD1-CG 4.33Å; E686-F774 HydrophobicContact CB-CD2 4.47Å; E686-F774 HydrophobicContact CB-CE2 4.27Å; E686-F774 WeakPolarHBondContact OE2-CE2 3.49Å; K689-F774 HydrophobicContact CB-CZ 4.33Å; K689-F774 HydrophobicContact CD-CE2 4.1Å; K689-F774 HydrophobicContact CD-CZ 3.86Å; S770-F774 WeakPolarHBondContact O-CA 3.42Å; S770-F774 WeakPolarHBondContact O-CB 3.41Å; S770-F774 PolarHBondContact O-N 3.34Å; F774-Y776 PolarHBondContact O-N 2.76Å; F774-C777 WeakPolarHBondContact O-CB 3.28Å; F774-C777 PolarHBondContact O-N 3.44Å; F774-F778 HydrophobicContact CB-CE1 4.25Å
775G85.7Confident89.8Confident10 Ų1060.2 Ų60.210%0.10331%0.31CS..THydrogen-bonded Turntrans-58.9-24.4-170.900000115.6R678 S770 Y771R678-G775 PolarHBondContact NH1-O 3.26Å; S770-G775 PolarHBondContact O-N 2.79Å; Y771-G775 VanDerWaalsContact O-CA 3.27Å; Y771-G775 WeakPolarHBondContact O-CA 3.34Å; Y771-G775 PolarHBondContact O-N 3.29Å
776Y86.6Confident89.8Confident228 Ų22856.9 Ų56.989%0.89429%0.292SS*.THydrogen-bonded Turntrans-112.72.5177.3-57.5-76.5000114F774 F778F774-Y776 PolarHBondContact O-N 2.76Å; Y776-F778 VanDerWaalsContact C-N 3.33Å; Y776-F778 PolarHBondContact O-N 3.24Å
777C89.4Confident89.6Confident52 Ų5257.9 Ų57.935%0.35130%0.295SS..THydrogen-bonded Turntrans-75.2-23.3-176-69.30000113.3L630 N773 F774L630-C777 HydrophobicContact CD1-CB 4.19Å; L630-C777 HydrophobicContact CD2-CB 4.33Å; N773-C777 PolarHBondContact O-SG 2.91Å; F774-C777 WeakPolarHBondContact O-CB 3.28Å; F774-C777 PolarHBondContact O-N 3.44Å
778F90.9Very high89.2Confident3 Ų359.1 Ų59.11%0.01330%0.302CS..  trans-153.2142.5179.148.6-91.9000111L626 L630 R678 F681 Q682 L685 F774 Y776 N782 I783L626-F778 HydrophobicContact CD1-CE1 4.45Å; L626-F778 HydrophobicContact CD2-CD1 4.09Å; L626-F778 HydrophobicContact CD2-CG 4.4Å; L630-F778 HydrophobicContact CD1-CD1 4.18Å; L630-F778 HydrophobicContact CD1-CE1 4.22Å; R678-F778 HydrophobicContact CG-CD2 4.07Å; R678-F778 HydrophobicContact CG-CE2 3.76Å; F681-F778 HydrophobicContact CB-CE2 4.15Å; F681-F778 HydrophobicContact CB-CZ 4.04Å; Q682-F778 HydrophobicContact CB-CZ 4.27Å; L685-F778 HydrophobicContact CD1-CE1 3.66Å; L685-F778 HydrophobicContact CD1-CZ 4.11Å; F774-F778 HydrophobicContact CB-CE1 4.25Å; Y776-F778 VanDerWaalsContact C-N 3.33Å; Y776-F778 PolarHBondContact O-N 3.24Å; F778-N782 HydrophobicContact CB-CB 4.43Å; F778-I783 HydrophobicContact CD2-CD1 3.71Å; F778-I783 HydrophobicContact CD2-CG1 4.04Å; F778-I783 HydrophobicContact CE2-CD1 4Å
779T87.2Confident88.9Confident66 Ų6658.9 Ų58.941%0.40529%0.292SS..  trans-99.3167.3174.968.20000111.1E781 N782 I783T779-E781 PolarHBondContact O-N 3.45Å; T779-E781 PolarHBondContact OG1-N 3.16Å; T779-N782 PolarHBondContact N-OD1 3.18Å; T779-N782 WeakPolarHBondContact O-CB 3.4Å; T779-N782 PolarHBondContact O-N 3.24Å; T779-N782 VanDerWaalsContact O-N 3.12Å; T779-N782 VanDerWaalsContact OG1-CG 3.26Å; T779-N782 PolarHBondContact OG1-N 2.61Å; T779-N782 VanDerWaalsContact OG1-N 3.13Å; T779-N782 PolarHBondContact OG1-OD1 3.41Å; T779-I783 PolarHBondContact O-N 2.81Å
780N83.2Confident88.7Confident91 Ų9156.8 Ų56.849%0.48728%0.28SS..Hα-helixtrans-56.9-37.4170.8-76.4-24.4000111.9R678 N782 I783 E784R678-N780 WeakPolarHBondContact CB-OD1 3.3Å; R678-N780 WeakPolarHBondContact CD-OD1 3.38Å; N780-N782 PolarHBondContact O-N 3.49Å; N780-I783 PolarHBondContact O-N 2.78Å; N780-E784 WeakPolarHBondContact O-CG 3.04Å; N780-E784 PolarHBondContact O-N 2.73Å
781E81.8Confident88.4Confident145 Ų14557.6 Ų57.668%0.67828%0.284SS*.Hα-helixtrans-64.6-39175.8-173.5-179-176.600112.3T779 E784 T785T779-E781 PolarHBondContact O-N 3.45Å; T779-E781 PolarHBondContact OG1-N 3.16Å; E781-E784 PolarHBondContact O-N 2.89Å; E781-T785 PolarHBondContact O-N 3.22Å; E781-T785 PolarHBondContact O-OG1 3.38Å
782N86.1Confident88.2Confident67 Ų6756.3 Ų56.336%0.35828%0.278SS..Hα-helixtrans-65-42.1173.6-59.4153.5000111.5F778 T779 N780 T785 L786F778-N782 HydrophobicContact CB-CB 4.43Å; T779-N782 PolarHBondContact N-OD1 3.18Å; T779-N782 WeakPolarHBondContact O-CB 3.4Å; T779-N782 PolarHBondContact O-N 3.24Å; T779-N782 VanDerWaalsContact O-N 3.12Å; T779-N782 VanDerWaalsContact OG1-CG 3.26Å; T779-N782 PolarHBondContact OG1-N 2.61Å; T779-N782 VanDerWaalsContact OG1-N 3.13Å; T779-N782 PolarHBondContact OG1-OD1 3.41Å; N780-N782 PolarHBondContact O-N 3.49Å; N782-T785 PolarHBondContact O-N 3.35Å; N782-L786 WeakPolarHBondContact O-CG 3.48Å; N782-L786 PolarHBondContact O-N 3.02Å
783I89.6Confident87.8Confident1 Ų152.5 Ų52.51%0.00526%0.26CS..Hα-helixtrans-61.7-47.5176-70172.5000110.5R678 F681 F778 T779 N780 T785 L786 R787R678-I783 HydrophobicContact CB-CD1 3.86Å; R678-I783 HydrophobicContact CG-CD1 3.66Å; F681-I783 HydrophobicContact CD2-CD1 3.72Å; F681-I783 HydrophobicContact CD2-CG1 4.44Å; F681-I783 HydrophobicContact CE2-CD1 3.98Å; F681-I783 HydrophobicContact CE2-CG1 4.44Å; F681-I783 HydrophobicContact CE2-CG2 3.88Å; F681-I783 HydrophobicContact CZ-CG2 4.48Å; F778-I783 HydrophobicContact CD2-CD1 3.71Å; F778-I783 HydrophobicContact CD2-CG1 4.04Å; F778-I783 HydrophobicContact CE2-CD1 4Å; T779-I783 PolarHBondContact O-N 2.81Å; N780-I783 PolarHBondContact O-N 2.78Å; I783-T785 VanDerWaalsContact C-N 3.27Å; I783-T785 PolarHBondContact O-N 3.01Å; I783-L786 CarbonylContact O-C 3.57Å; I783-L786 PolarHBondContact O-N 2.91Å; I783-L786 VanDerWaalsContact O-N 3.08Å; I783-R787 HydrophobicContact CG2-CG 4.15Å; I783-R787 WeakPolarHBondContact O-CG 3.27Å; I783-R787 PolarHBondContact O-N 2.62Å
784E84.8Confident87.5Confident87 Ų8751.1 Ų51.141%0.40725%0.253SS..Hα-helixtrans-60.1-37.4178.2-73.9-52.8137.700112.8N780 E781 R787 L788N780-E784 WeakPolarHBondContact O-CG 3.04Å; N780-E784 PolarHBondContact O-N 2.73Å; E781-E784 PolarHBondContact O-N 2.89Å; E784-R787 WeakPolarHBondContact O-CB 3.43Å; E784-R787 PolarHBondContact O-N 2.93Å; E784-R787 IonicContact OE1-CZ 2.86Å; E784-R787 IonicContact OE1-NE 3.87Å; E784-R787 IonicContact OE1-NH1 3.15Å; E784-R787 PolarHBondContact OE1-NH1 3.3Å; E784-L788 PolarHBondContact O-N 3.13Å
785T84Confident87.1Confident79 Ų7950.8 Ų50.849%0.48525%0.251SS..Hα-helixtrans-63.2-43.8174.5-56.20000111.4E781 N782 I783 L788 K789E781-T785 PolarHBondContact O-N 3.22Å; E781-T785 PolarHBondContact O-OG1 3.38Å; N782-T785 PolarHBondContact O-N 3.35Å; I783-T785 VanDerWaalsContact C-N 3.27Å; I783-T785 PolarHBondContact O-N 3.01Å; T785-L788 PolarHBondContact O-N 2.94Å; T785-K789 PolarHBondContact O-N 3.23Å
786L90Very high87Confident20 Ų2050.7 Ų50.711%0.10525%0.248CC..Hα-helixtrans-68.2-37176.2-67.8176.5000112.1V622 E625 L626 N782 I783 K789 N790V622-L786 HydrophobicContact CB-CB 4.41Å; V622-L786 HydrophobicContact CG1-CB 3.94Å; V622-L786 HydrophobicContact CG1-CD1 4.03Å; V622-L786 HydrophobicContact CG2-CB 3.86Å; E625-L786 HydrophobicContact CG-CD2 4.24Å; E625-L786 WeakPolarHBondContact OE1-CD2 3.26Å; E625-L786 WeakPolarHBondContact OE2-CD2 3.44Å; L626-L786 HydrophobicContact CD2-CD1 4.12Å; L626-L786 HydrophobicContact CG-CD1 4.41Å; N782-L786 WeakPolarHBondContact O-CG 3.48Å; N782-L786 PolarHBondContact O-N 3.02Å; I783-L786 CarbonylContact O-C 3.57Å; I783-L786 PolarHBondContact O-N 2.91Å; I783-L786 VanDerWaalsContact O-N 3.08Å; L786-K789 PolarHBondContact O-N 3.22Å; L786-N790 WeakPolarHBondContact O-CB 3.47Å; L786-N790 PolarHBondContact O-N 3.05Å; L786-N790 PolarHBondContact O-ND2 3.13Å
787R90.3Very high87Confident23 Ų2344.2 Ų44.29%0.08723%0.229CC..Hα-helixtrans-59.6-46.8174.7-78.3175.4171.5158.4-3111V618 D619 V622 I783 E784 K789 N790 R791V618-R787 HydrophobicContact CG1-CB 3.94Å; V618-R787 HydrophobicContact CG1-CG 4.03Å; V618-R787 VanDerWaalsContact CG1-O 3.3Å; V618-R787 WeakPolarHBondContact CG1-O 3.48Å; D619-R787 VanDerWaalsContact OD1-CG 3.23Å; D619-R787 WeakPolarHBondContact OD1-CG 3.12Å; D619-R787 IonicContact OD1-CZ 2.73Å; D619-R787 IonicContact OD1-NE 3.82Å; D619-R787 PolarHBondContact OD1-NE 3.2Å; D619-R787 IonicContact OD1-NH2 3.91Å; D619-R787 IonicContact OD2-CZ 3.24Å; D619-R787 IonicContact OD2-NE 2.66Å; D619-R787 PolarHBondContact OD2-NE 2.91Å; D619-R787 IonicContact OD2-NH2 2.95Å; D619-R787 PolarHBondContact OD2-NH2 3.22Å; V622-R787 HydrophobicContact CG2-CG 3.94Å; I783-R787 HydrophobicContact CG2-CG 4.15Å; I783-R787 WeakPolarHBondContact O-CG 3.27Å; I783-R787 PolarHBondContact O-N 2.62Å; E784-R787 WeakPolarHBondContact O-CB 3.43Å; E784-R787 PolarHBondContact O-N 2.93Å; E784-R787 IonicContact OE1-CZ 2.86Å; E784-R787 IonicContact OE1-NE 3.87Å; E784-R787 IonicContact OE1-NH1 3.15Å; E784-R787 PolarHBondContact OE1-NH1 3.3Å; R787-K789 VanDerWaalsContact C-N 3.35Å; R787-K789 PolarHBondContact O-N 3.04Å; R787-N790 PolarHBondContact O-N 2.93Å; R787-R791 WeakPolarHBondContact O-CB 2.99Å; R787-R791 PolarHBondContact O-N 3.44Å
788L84.8Confident86.7Confident27 Ų2743.8 Ų43.814%0.14122%0.223CC..Hα-helixtrans-59-47.9176.7179.464.9000111.7N248 E784 T785 N790 R791 L792N248-L788 HydrophobicContact CB-CD1 3.54Å; E784-L788 PolarHBondContact O-N 3.13Å; T785-L788 PolarHBondContact O-N 2.94Å; L788-N790 PolarHBondContact O-N 3.38Å; L788-R791 PolarHBondContact O-N 2.93Å; L788-L792 WeakPolarHBondContact O-CD1 3.13Å; L788-L792 PolarHBondContact O-N 3.41Å
789K86.8Confident86.4Confident43 Ų4343.8 Ų43.819%0.18722%0.223CC..Hα-helixtrans-58.5-46.3178.7-178.4-170.8175.3-158.60111.8E207 E625 T785 L786 R787E207-K789 WeakPolarHBondContact OE1-CE 3.46Å; E625-K789 IonicContact OE1-NZ 3.03Å; E625-K789 PolarHBondContact OE1-NZ 3.06Å; E625-K789 IonicContact OE2-NZ 2.77Å; E625-K789 PolarHBondContact OE2-NZ 3.38Å; T785-K789 PolarHBondContact O-N 3.23Å; L786-K789 PolarHBondContact O-N 3.22Å; R787-K789 VanDerWaalsContact C-N 3.35Å; R787-K789 PolarHBondContact O-N 3.04Å
790N90.4Very high86.2Confident10 Ų1042.5 Ų42.55%0.05321%0.214CC..Hα-helixtrans-76.2-29.7-178.8-74-60.7000112.6V618 V622 L786 R787 L788 L792 K793 V794V618-N790 HydrophobicContact CG1-CB 4.22Å; V622-N790 HydrophobicContact CG2-CB 4.49Å; V622-N790 PolarHBondContact N-ND2 3.2Å; L786-N790 WeakPolarHBondContact O-CB 3.47Å; L786-N790 PolarHBondContact O-N 3.05Å; L786-N790 PolarHBondContact O-ND2 3.13Å; R787-N790 PolarHBondContact O-N 2.93Å; L788-N790 PolarHBondContact O-N 3.38Å; N790-L792 PolarHBondContact O-N 3.3Å; N790-K793 PolarHBondContact O-N 3.23Å; N790-V794 WeakPolarHBondContact O-CB 3.32Å; N790-V794 VanDerWaalsContact O-CG2 3.24Å; N790-V794 WeakPolarHBondContact O-CG2 3.17Å; N790-V794 PolarHBondContact O-N 2.81Å
791R90.2Very high86.4Confident18 Ų1842.4 Ų42.47%0.06821%0.213CC..Hα-helixtrans-59.9-42.5175-170.7175.1-67.4111.45.6112.6N248 M251 V618 R787 L788 K793 V794 V795N248-R791 VanDerWaalsContact OD1-CD 3.32Å; N248-R791 WeakPolarHBondContact OD1-CD 3.47Å; N248-R791 PolarHBondContact OD1-NH1 3.37Å; M251-R791 HydrophobicContact CB-CG 4.29Å; V618-R791 HydrophobicContact CG1-CB 4.41Å; V618-R791 HydrophobicContact CG2-CB 3.8Å; V618-R791 HydrophobicContact CG2-CG 4.14Å; R787-R791 WeakPolarHBondContact O-CB 2.99Å; R787-R791 PolarHBondContact O-N 3.44Å; L788-R791 PolarHBondContact O-N 2.93Å; R791-K793 VanDerWaalsContact C-N 3.3Å; R791-K793 PolarHBondContact O-N 3.44Å; R791-V794 PolarHBondContact O-N 3.48Å; R791-V795 HydrophobicContact CG-CG2 3.87Å; R791-V795 VanDerWaalsContact O-CB 3.3Å; R791-V795 WeakPolarHBondContact O-CB 3.43Å; R791-V795 WeakPolarHBondContact O-CG2 3.5Å; R791-V795 PolarHBondContact O-N 3.23Å
792L87.4Confident86.5Confident0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-54.7-47.1174.6-75.4146000111.7I203 V204 L206 A247 M251 L788 N790 Q796I203-L792 HydrophobicContact CG2-CD2 4.5Å; I203-L792 VanDerWaalsContact O-CD2 3.23Å; I203-L792 WeakPolarHBondContact O-CD2 3.34Å; V204-L792 WeakPolarHBondContact O-CB 3.1Å; L206-L792 HydrophobicContact CB-CD1 4.19Å; A247-L792 HydrophobicContact CB-CD2 4.38Å; M251-L792 HydrophobicContact CE-CD2 3.9Å; M251-L792 HydrophobicContact CG-CD2 3.96Å; M251-L792 HydrophobicContact CG-CG 4.18Å; M251-L792 HydrophobicContact SD-CD2 3.96Å; M251-L792 HydrophobicContact SD-CG 4.49Å; L788-L792 WeakPolarHBondContact O-CD1 3.13Å; L788-L792 PolarHBondContact O-N 3.41Å; N790-L792 PolarHBondContact O-N 3.3Å; L792-Q796 WeakPolarHBondContact O-CB 3.27Å; L792-Q796 VanDerWaalsContact O-CG 3.23Å; L792-Q796 WeakPolarHBondContact O-CG 3.34Å; L792-Q796 PolarHBondContact O-N 3.26Å; L792-Q796 PolarHBondContact O-OE1 2.97Å
793K85.6Confident86.5Confident76 Ų7634.4 Ų34.433%0.3317%0.174SC..Hα-helixtrans-68.7-49.1179.6-61.4177.8-178.3175.80112.4N790 R791 Q796 N797N790-K793 PolarHBondContact O-N 3.23Å; R791-K793 VanDerWaalsContact C-N 3.3Å; R791-K793 PolarHBondContact O-N 3.44Å; K793-Q796 PolarHBondContact O-N 3.46Å; K793-N797 WeakPolarHBondContact O-CB 3.26Å; K793-N797 VanDerWaalsContact O-CG 3.23Å; K793-N797 PolarHBondContact O-N 3.04Å
794V88.1Confident86.4Confident18 Ų1840.4 Ų40.411%0.10920%0.196CC..Hα-helixtrans-63.4-49.1-175.4168.20000110.7V614 L617 V618 N790 R791 Q796 N797 L798V614-V794 HydrophobicContact CG1-CG1 4.25Å; L617-V794 HydrophobicContact CB-CG1 3.63Å; L617-V794 HydrophobicContact CB-CG2 4.39Å; L617-V794 HydrophobicContact CD1-CG1 4.25Å; V618-V794 HydrophobicContact CG2-CB 4.02Å; V618-V794 HydrophobicContact CG2-CG1 4.16Å; V618-V794 HydrophobicContact CG2-CG2 4.09Å; N790-V794 WeakPolarHBondContact O-CB 3.32Å; N790-V794 VanDerWaalsContact O-CG2 3.24Å; N790-V794 WeakPolarHBondContact O-CG2 3.17Å; N790-V794 PolarHBondContact O-N 2.81Å; R791-V794 PolarHBondContact O-N 3.48Å; V794-Q796 VanDerWaalsContact C-N 3.3Å; V794-Q796 PolarHBondContact O-N 3.12Å; V794-N797 PolarHBondContact O-N 3.29Å; V794-L798 HydrophobicContact CG1-CD1 4.06Å; V794-L798 HydrophobicContact CG1-CG 4.5Å; V794-L798 WeakPolarHBondContact O-CG 3.48Å; V794-L798 PolarHBondContact O-N 2.95Å
795V86.4Confident86.4Confident2 Ų239.5 Ų39.51%0.01220%0.2CC..Hα-helixtrans-61-43.1179.9173.70000110.3M251 L254 I255 V614 R791 L798 E799M251-V795 HydrophobicContact CB-CG1 4.48Å; M251-V795 HydrophobicContact CB-CG2 4.31Å; M251-V795 HydrophobicContact SD-CB 4.13Å; M251-V795 HydrophobicContact SD-CG1 4.1Å; L254-V795 HydrophobicContact CB-CG1 3.77Å; L254-V795 HydrophobicContact CD1-CG1 3.95Å; I255-V795 HydrophobicContact CD1-CG2 3.56Å; I255-V795 HydrophobicContact CG1-CG1 4.15Å; I255-V795 HydrophobicContact CG1-CG2 3.77Å; V614-V795 HydrophobicContact CG1-CG2 3.97Å; R791-V795 HydrophobicContact CG-CG2 3.87Å; R791-V795 VanDerWaalsContact O-CB 3.3Å; R791-V795 WeakPolarHBondContact O-CB 3.43Å; R791-V795 WeakPolarHBondContact O-CG2 3.5Å; R791-V795 PolarHBondContact O-N 3.23Å; V795-L798 PolarHBondContact O-N 3.48Å; V795-E799 HydrophobicContact CG1-CG 4.35Å; V795-E799 WeakPolarHBondContact O-CB 3.42Å; V795-E799 VanDerWaalsContact O-CG 3.23Å; V795-E799 WeakPolarHBondContact O-CG 3.36Å; V795-E799 PolarHBondContact O-N 3.09Å
796Q83.7Confident86.4Confident8 Ų836 Ų364%0.03718%0.178CC..Hα-helixtrans-67-40.4177.5-73.8173.9-12.800113.2T201 I203 L792 K793 V794 L798 E799 D800T201-Q796 PolarHBondContact O-NE2 3.23Å; I203-Q796 VanDerWaalsContact C-NE2 3.29Å; I203-Q796 PolarHBondContact O-NE2 3.17Å; L792-Q796 WeakPolarHBondContact O-CB 3.27Å; L792-Q796 VanDerWaalsContact O-CG 3.23Å; L792-Q796 WeakPolarHBondContact O-CG 3.34Å; L792-Q796 PolarHBondContact O-N 3.26Å; L792-Q796 PolarHBondContact O-OE1 2.97Å; K793-Q796 PolarHBondContact O-N 3.46Å; V794-Q796 VanDerWaalsContact C-N 3.3Å; V794-Q796 PolarHBondContact O-N 3.12Å; Q796-L798 VanDerWaalsContact C-N 3.3Å; Q796-L798 PolarHBondContact O-N 2.79Å; Q796-E799 PolarHBondContact O-N 3.03Å; Q796-D800 WeakPolarHBondContact O-CB 3.33Å; Q796-D800 PolarHBondContact O-N 3.29Å
797N85.4Confident86.3Confident93 Ų9335.4 Ų35.450%0.49718%0.175SC..Hα-helixtrans-61.1-41.7174.9-74.5-14.9000111.3K793 V794 N801K793-N797 WeakPolarHBondContact O-CB 3.26Å; K793-N797 VanDerWaalsContact O-CG 3.23Å; K793-N797 PolarHBondContact O-N 3.04Å; V794-N797 PolarHBondContact O-N 3.29Å; N797-N801 WeakPolarHBondContact O-CB 3.12Å; N797-N801 PolarHBondContact O-N 2.96Å; N797-N801 PolarHBondContact O-ND2 3.46Å
798L84.7Confident86.1Confident42 Ų4242.9 Ų42.922%0.2221%0.208CC..Hα-helixtrans-62.6-48174.7-70.9173.4000111.4K612 V614 L617 V794 V795 Q796 D800 N801 Q802K612-L798 HydrophobicContact CB-CD1 4.37Å; V614-L798 HydrophobicContact CG2-CD1 3.91Å; L617-L798 HydrophobicContact CD1-CD1 4.22Å; L617-L798 HydrophobicContact CD1-CD2 4.1Å; L617-L798 HydrophobicContact CD1-CG 4.5Å; V794-L798 HydrophobicContact CG1-CD1 4.06Å; V794-L798 HydrophobicContact CG1-CG 4.5Å; V794-L798 WeakPolarHBondContact O-CG 3.48Å; V794-L798 PolarHBondContact O-N 2.95Å; V795-L798 PolarHBondContact O-N 3.48Å; Q796-L798 VanDerWaalsContact C-N 3.3Å; Q796-L798 PolarHBondContact O-N 2.79Å; L798-D800 PolarHBondContact O-N 2.93Å; L798-N801 PolarHBondContact O-N 3.44Å; L798-Q802 VanDerWaalsContact O-CB 3.29Å; L798-Q802 WeakPolarHBondContact O-CB 3.25Å; L798-Q802 PolarHBondContact O-N 3.33Å
799E83.5Confident86Confident4 Ų443.9 Ų43.92%0.01922%0.217CC..Hα-helixtrans-58.7-47.2176.8-74.2-64.1112.600112L254 K612 V795 Q796 Q802 M803 K829 Q864 Y865L254-E799 HydrophobicContact CB-CG 4.37Å; L254-E799 HydrophobicContact CD1-CG 4.41Å; K612-E799 IonicContact NZ-OE1 2.79Å; V795-E799 HydrophobicContact CG1-CG 4.35Å; V795-E799 WeakPolarHBondContact O-CB 3.42Å; V795-E799 VanDerWaalsContact O-CG 3.23Å; V795-E799 WeakPolarHBondContact O-CG 3.36Å; V795-E799 PolarHBondContact O-N 3.09Å; Q796-E799 PolarHBondContact O-N 3.03Å; E799-Q802 PolarHBondContact O-N 2.86Å; E799-M803 VanDerWaalsContact O-CB 3.3Å; E799-M803 WeakPolarHBondContact O-CB 2.97Å; E799-M803 PolarHBondContact O-N 3.15Å; E799-K829 IonicContact OE2-NZ 3.86Å; E799-K829 PolarHBondContact OE2-NZ 3.49Å; E799-Q864 PolarHBondContact OE1-NE2 3.06Å; E799-Q864 PolarHBondContact OE2-NE2 3.04Å; E799-Y865 PolarHBondContact OE2-OH 2.91Å
800D84.6Confident85.9Confident38 Ų3841.9 Ų41.920%0.20321%0.209CC..Hα-helixtrans-70-36.8-177.9-65.8-7.5000111K223 Q796 L798 R804K223-D800 IonicContact NZ-OD1 3.28Å; K223-D800 PolarHBondContact NZ-OD1 3.32Å; Q796-D800 WeakPolarHBondContact O-CB 3.33Å; Q796-D800 PolarHBondContact O-N 3.29Å; L798-D800 PolarHBondContact O-N 2.93Å; D800-R804 WeakPolarHBondContact O-CB 3.42Å; D800-R804 VanDerWaalsContact O-CG 3.29Å; D800-R804 WeakPolarHBondContact O-CG 3.28Å; D800-R804 PolarHBondContact O-N 3.22Å; D800-R804 PolarHBondContact O-NE 3.22Å
801N86.6Confident85Confident89 Ų8942.9 Ų42.948%0.47622%0.222SC..Hα-helixtrans-65.7-42.9173.8-76.1-20000111.7N797 L798 R804 S805N797-N801 WeakPolarHBondContact O-CB 3.12Å; N797-N801 PolarHBondContact O-N 2.96Å; N797-N801 PolarHBondContact O-ND2 3.46Å; L798-N801 PolarHBondContact O-N 3.44Å; N801-R804 PolarHBondContact O-N 2.86Å; N801-R804 PolarHBondContact OD1-NH2 3.33Å; N801-S805 WeakPolarHBondContact O-CB 3.39Å; N801-S805 PolarHBondContact O-N 2.92Å
802Q82.8Confident84.3Confident40 Ų4051.3 Ų51.319%0.18726%0.259CS..Hα-helixtrans-65.8-46.9178.2-171.5165.17.400111L798 E799 R804 S805 I806 Q864L798-Q802 VanDerWaalsContact O-CB 3.29Å; L798-Q802 WeakPolarHBondContact O-CB 3.25Å; L798-Q802 PolarHBondContact O-N 3.33Å; E799-Q802 PolarHBondContact O-N 2.86Å; Q802-R804 PolarHBondContact O-N 3.31Å; Q802-S805 WeakPolarHBondContact O-CB 3.47Å; Q802-S805 PolarHBondContact O-N 2.87Å; Q802-S805 VanDerWaalsContact O-N 3.15Å; Q802-I806 HydrophobicContact CG-CD1 4.2Å; Q802-I806 WeakPolarHBondContact O-CG1 3.49Å; Q802-I806 PolarHBondContact O-N 2.84Å; Q802-Q864 VanDerWaalsContact CD-CD 3.43Å; Q802-Q864 VanDerWaalsContact OE1-CD 3.29Å
803M86.6Confident83.7Confident4 Ų453.4 Ų53.42%0.0227%0.27CS..Hα-helixtrans-55.4-49.9172.8179.4-173.574.800111.4E799 S805 I806 I807 E822 Y825E799-M803 VanDerWaalsContact O-CB 3.3Å; E799-M803 WeakPolarHBondContact O-CB 2.97Å; E799-M803 PolarHBondContact O-N 3.15Å; M803-S805 VanDerWaalsContact C-N 3.29Å; M803-S805 PolarHBondContact O-N 2.65Å; M803-I806 PolarHBondContact O-N 2.7Å; M803-I807 HydrophobicContact CG-CD1 3.73Å; M803-I807 HydrophobicContact CG-CG1 4.36Å; M803-I807 WeakPolarHBondContact O-CB 3.29Å; M803-I807 VanDerWaalsContact O-CG1 3.3Å; M803-I807 WeakPolarHBondContact O-CG1 3.3Å; M803-I807 PolarHBondContact O-N 3.48Å; M803-I807 HydrophobicContact SD-CD1 4.4Å; M803-E822 HydrophobicContact CE-CG 3.7Å; M803-E822 WeakPolarHBondContact CE-OE1 3.43Å; M803-E822 HydrophobicContact SD-CB 4.5Å; M803-E822 HydrophobicContact SD-CG 3.83Å; M803-Y825 HydrophobicContact CB-CD1 4.19Å; M803-Y825 HydrophobicContact CB-CE1 3.85Å; M803-Y825 HydrophobicContact CG-CD1 3.56Å; M803-Y825 HydrophobicContact CG-CD2 4.4Å; M803-Y825 HydrophobicContact CG-CE1 3.76Å; M803-Y825 HydrophobicContact CG-CG 3.89Å; M803-Y825 HydrophobicContact SD-CD1 3.66Å; M803-Y825 HydrophobicContact SD-CE1 4.13Å; M803-Y825 HydrophobicContact SD-CG 4.33Å
804R87.1Confident83.7Confident127 Ų12750.4 Ų50.448%0.47926%0.259SS..Hα-helixtrans-59.2-39.5177-79.1-173.5-73-92.42.1112.3D800 N801 Q802 K808D800-R804 WeakPolarHBondContact O-CB 3.42Å; D800-R804 VanDerWaalsContact O-CG 3.29Å; D800-R804 WeakPolarHBondContact O-CG 3.28Å; D800-R804 PolarHBondContact O-N 3.22Å; D800-R804 PolarHBondContact O-NE 3.22Å; N801-R804 PolarHBondContact O-N 2.86Å; N801-R804 PolarHBondContact OD1-NH2 3.33Å; Q802-R804 PolarHBondContact O-N 3.31Å; R804-K808 WeakPolarHBondContact O-CB 3.49Å; R804-K808 PolarHBondContact O-N 2.8Å
805S86.1Confident83.8Confident69 Ų6953.3 Ų53.348%0.48327%0.267SS..Hα-helixtrans-62.9-47.2176.1-170.90000111.5N801 Q802 M803 K808 S809N801-S805 WeakPolarHBondContact O-CB 3.39Å; N801-S805 PolarHBondContact O-N 2.92Å; Q802-S805 WeakPolarHBondContact O-CB 3.47Å; Q802-S805 PolarHBondContact O-N 2.87Å; Q802-S805 VanDerWaalsContact O-N 3.15Å; M803-S805 VanDerWaalsContact C-N 3.29Å; M803-S805 PolarHBondContact O-N 2.65Å; S805-K808 PolarHBondContact O-N 3.08Å; S805-S809 PolarHBondContact O-N 2.94Å
806I83.8Confident84.1Confident4 Ų453.7 Ų53.72%0.02127%0.269CS..Hα-helixtrans-60.7-51176.4-67168.2000110.2Q802 M803 K808 S809 I810 Y825 Q864 F906Q802-I806 HydrophobicContact CG-CD1 4.2Å; Q802-I806 WeakPolarHBondContact O-CG1 3.49Å; Q802-I806 PolarHBondContact O-N 2.84Å; M803-I806 PolarHBondContact O-N 2.7Å; I806-K808 VanDerWaalsContact C-N 3.33Å; I806-K808 PolarHBondContact O-N 3.35Å; I806-S809 WeakPolarHBondContact O-CB 3.47Å; I806-S809 PolarHBondContact O-N 3.03Å; I806-S809 VanDerWaalsContact O-N 3.08Å; I806-S809 PolarHBondContact O-OG 3.5Å; I806-I810 HydrophobicContact CG2-CD1 3.7Å; I806-I810 WeakPolarHBondContact O-CG1 3.11Å; I806-I810 PolarHBondContact O-N 3.23Å; I806-I810 VanDerWaalsContact O-N 3.11Å; I806-Y825 HydrophobicContact CD1-CE2 3.96Å; I806-Q864 HydrophobicContact CD1-CB 4.33Å; I806-F906 HydrophobicContact CG2-CD1 3.78Å
807I87.4Confident84.4Confident9 Ų956.6 Ų56.65%0.04629%0.287CS..Hα-helixtrans-57.8-45.6178.5-68.1173.8000110.8M803 S809 I810 G811 N818 L821 E822M803-I807 HydrophobicContact CG-CD1 3.73Å; M803-I807 HydrophobicContact CG-CG1 4.36Å; M803-I807 WeakPolarHBondContact O-CB 3.29Å; M803-I807 VanDerWaalsContact O-CG1 3.3Å; M803-I807 WeakPolarHBondContact O-CG1 3.3Å; M803-I807 PolarHBondContact O-N 3.48Å; M803-I807 HydrophobicContact SD-CD1 4.4Å; I807-S809 VanDerWaalsContact C-N 3.27Å; I807-S809 PolarHBondContact O-N 3.29Å; I807-I810 PolarHBondContact O-N 2.95Å; I807-I810 VanDerWaalsContact O-N 3.11Å; I807-G811 PolarHBondContact O-N 3.27Å; I807-N818 HydrophobicContact CG2-CB 4.14Å; I807-N818 WeakPolarHBondContact CG2-OD1 3.29Å; I807-L821 HydrophobicContact CD1-CB 4.31Å; I807-L821 HydrophobicContact CG1-CB 4.11Å; I807-L821 HydrophobicContact CG2-CB 4.12Å; I807-L821 HydrophobicContact CG2-CD1 4.01Å; I807-E822 HydrophobicContact CD1-CB 3.86Å
808K86.2Confident84.7Confident180 Ų18057 Ų5778%0.78329%0.29SS*.Hα-helixtrans-61.8-34.9177.6-172.9-179.9179.8-175.70112.4R804 S805 I806 I810R804-K808 WeakPolarHBondContact O-CB 3.49Å; R804-K808 PolarHBondContact O-N 2.8Å; S805-K808 PolarHBondContact O-N 3.08Å; I806-K808 VanDerWaalsContact C-N 3.33Å; I806-K808 PolarHBondContact O-N 3.35Å; K808-I810 VanDerWaalsContact C-N 3.33Å
809S82.9Confident85Confident48 Ų4862.6 Ų62.634%0.33632%0.315SS..Hα-helixtrans-70.8-27.2176.279.40000113.3S805 I806 I807S805-S809 PolarHBondContact O-N 2.94Å; I806-S809 WeakPolarHBondContact O-CB 3.47Å; I806-S809 PolarHBondContact O-N 3.03Å; I806-S809 VanDerWaalsContact O-N 3.08Å; I806-S809 PolarHBondContact O-OG 3.5Å; I807-S809 VanDerWaalsContact C-N 3.27Å; I807-S809 PolarHBondContact O-N 3.29Å
810I83.7Confident85.4Confident0 Ų062.8 Ų62.80%032%0.315CS..Hα-helixtrans-90.6-32.9-179.4-63.4166.4000111.9I806 I807 K808 K812 D813 C814 L821 F906 R907 A910 I911I806-I810 HydrophobicContact CG2-CD1 3.7Å; I806-I810 WeakPolarHBondContact O-CG1 3.11Å; I806-I810 PolarHBondContact O-N 3.23Å; I806-I810 VanDerWaalsContact O-N 3.11Å; I807-I810 PolarHBondContact O-N 2.95Å; I807-I810 VanDerWaalsContact O-N 3.11Å; K808-I810 VanDerWaalsContact C-N 3.33Å; I810-K812 PolarHBondContact O-N 2.91Å; I810-D813 PolarHBondContact O-N 3.25Å; I810-C814 HydrophobicContact CG2-CB 3.52Å; I810-C814 PolarHBondContact O-N 3.3Å; I810-L821 HydrophobicContact CG2-CD1 4.34Å; I810-F906 HydrophobicContact CD1-CD1 3.5Å; I810-F906 VanDerWaalsContact CD1-CD1 3.5Å; I810-F906 HydrophobicContact CD1-CE1 3.83Å; I810-R907 HydrophobicContact CD1-CB 3.95Å; I810-R907 HydrophobicContact CD1-CG 4.49Å; I810-R907 HydrophobicContact CG1-CB 3.91Å; I810-R907 HydrophobicContact CG1-CG 3.96Å; I810-A910 HydrophobicContact CG2-CB 4.45Å; I810-I911 HydrophobicContact CG2-CG1 4.4Å
811G72.2Confident85.7Confident32 Ų3261 Ų6133%0.3331%0.306SS..THydrogen-bonded Turntrans-60-12.9-163.400000117I807I807-G811 PolarHBondContact O-N 3.27Å
812K75.3Confident86Confident194 Ų19460.9 Ų60.984%0.84330%0.303SS*.THydrogen-bonded Turntrans-84.5-28.6171.9-68.4-174.6179.2-179.20113.6I810I810-K812 PolarHBondContact O-N 2.91Å
813D75.9Confident86.3Confident45 Ų4560.4 Ų60.424%0.24131%0.305CS..THydrogen-bonded Turntrans-101.3-8.5-173.2-57.1-32.1000112.6I810 R907 I911I810-D813 PolarHBondContact O-N 3.25Å; D813-R907 IonicContact OD2-CZ 3.9Å; D813-R907 IonicContact OD2-NE 2.92Å; D813-R907 IonicContact OD2-NH2 3.69Å; D813-R907 PolarHBondContact OD2-NH2 2.93Å; D813-I911 HydrophobicContact CB-CD1 4.01Å
814C85.8Confident86.6Confident13 Ų1360.2 Ų60.29%0.08830%0.304CS..  trans-112.4144.1-174.9-174.20000112.3I810 F816 S914I810-C814 HydrophobicContact CG2-CB 3.52Å; I810-C814 PolarHBondContact O-N 3.3Å; C814-F816 VanDerWaalsContact C-N 3.34Å; C814-F816 VanDerWaalsContact SG-CD2 3.55Å; C814-S914 VanDerWaalsContact SG-CB 3.52Å
815R89Confident86.8Confident78 Ų7854.3 Ų54.329%0.29428%0.282SS..SBendtrans-87.12.5-179.9-61.6177.3172.578.46.2114.6R918 E923R815-R918 HydrophobicContact CB-CB 4.14Å; R815-R918 PolarHBondContact O-NH1 3.2Å; R815-E923 IonicContact CZ-OE1 2.63Å; R815-E923 IonicContact CZ-OE2 2.87Å; R815-E923 VanDerWaalsContact CZ-OE2 3.23Å; R815-E923 IonicContact NE-OE2 2.72Å; R815-E923 IonicContact NH1-OE1 3.23Å; R815-E923 IonicContact NH1-OE2 3.99Å; R815-E923 IonicContact NH2-OE1 3.74Å; R815-E923 PolarHBondContact NH2-OE1 3.28Å; R815-E923 IonicContact NH2-OE2 3.77Å; R815-E923 PolarHBondContact NH2-OE2 3.04Å
816F92.2Very high86.9Confident10 Ų1053.8 Ų53.84%0.04427%0.274CS..SBendtrans-89.4149.5176.4-63.6-39.7000111C814 E820 L821 L824 L913 L917 R918 L1225C814-F816 VanDerWaalsContact C-N 3.34Å; C814-F816 VanDerWaalsContact SG-CD2 3.55Å; F816-E820 HydrophobicContact CB-CB 3.98Å; F816-L821 HydrophobicContact CB-CD2 4.07Å; F816-L821 HydrophobicContact CB-CG 3.89Å; F816-L821 HydrophobicContact CD2-CD2 4.07Å; F816-L824 HydrophobicContact CE2-CD2 4.34Å; F816-L913 HydrophobicContact CE2-CB 4.25Å; F816-L913 HydrophobicContact CE2-CD2 4.45Å; F816-L913 HydrophobicContact CE2-CG 4.32Å; F816-L913 HydrophobicContact CZ-CB 4.47Å; F816-L913 HydrophobicContact CZ-CG 4.21Å; F816-L917 HydrophobicContact CE1-CB 4.39Å; F816-L917 HydrophobicContact CE1-CD1 4.36Å; F816-L917 HydrophobicContact CZ-CB 4.37Å; F816-L917 HydrophobicContact CZ-CD1 3.99Å; F816-R918 HydrophobicContact CE1-CG 4.34Å; F816-L1225 HydrophobicContact CD1-CB 4.46Å; F816-L1225 HydrophobicContact CD1-CD2 4.11Å; F816-L1225 HydrophobicContact CD2-CD2 3.95Å; F816-L1225 HydrophobicContact CE1-CB 4.12Å; F816-L1225 HydrophobicContact CE1-CD2 4.07Å; F816-L1225 HydrophobicContact CE2-CD2 3.89Å; F816-L1225 HydrophobicContact CG-CD2 4.07Å; F816-L1225 HydrophobicContact CZ-CD1 4.49Å; F816-L1225 HydrophobicContact CZ-CD2 3.96Å
817T91.5Very high87.1Confident69 Ų6953.6 Ų53.642%0.42327%0.273SS..  trans-70.4163.5170.7690000110.1E819 E820 L821T817-E819 PolarHBondContact O-N 3.27Å; T817-E820 PolarHBondContact N-OE2 3.4Å; T817-E820 PolarHBondContact O-N 3.35Å; T817-E820 WeakPolarHBondContact OG1-CG 3.36Å; T817-E820 PolarHBondContact OG1-N 3.23Å; T817-E820 PolarHBondContact OG1-OE2 3.39Å; T817-L821 WeakPolarHBondContact O-CG 3.27Å; T817-L821 PolarHBondContact O-N 2.82Å
818N91.1Very high87.1Confident102 Ų10253.3 Ų53.355%0.54527%0.271SS..Hα-helixtrans-59.6-35.9175.4-70.4-20.6000112.2I807 L821 E822I807-N818 HydrophobicContact CG2-CB 4.14Å; I807-N818 WeakPolarHBondContact CG2-OD1 3.29Å; N818-L821 PolarHBondContact O-N 2.63Å; N818-E822 WeakPolarHBondContact O-CB 3.47Å; N818-E822 PolarHBondContact O-N 2.7Å
819E90.6Very high87Confident160 Ų16045.5 Ų45.575%0.74824%0.237SC*.Hα-helixtrans-65.3-42176.4-64.9175.7-176.300111.6T817 E822 A823T817-E819 PolarHBondContact O-N 3.27Å; E819-E822 PolarHBondContact O-N 2.69Å; E819-A823 PolarHBondContact O-N 2.91Å
820E92Very high86.9Confident7 Ų743.9 Ų43.93%0.03323%0.225CC..Hα-helixtrans-67-38.9176.1-75.5-179126.300112F816 T817 A823 L824 R918 L1225F816-E820 HydrophobicContact CB-CB 3.98Å; T817-E820 PolarHBondContact N-OE2 3.4Å; T817-E820 PolarHBondContact O-N 3.35Å; T817-E820 WeakPolarHBondContact OG1-CG 3.36Å; T817-E820 PolarHBondContact OG1-N 3.23Å; T817-E820 PolarHBondContact OG1-OE2 3.39Å; E820-A823 PolarHBondContact O-N 3.2Å; E820-L824 WeakPolarHBondContact O-CB 3.2Å; E820-L824 PolarHBondContact O-N 2.84Å; E820-R918 IonicContact OE1-CZ 3.67Å; E820-R918 IonicContact OE1-NH1 3.25Å; E820-R918 IonicContact OE1-NH2 2.61Å; E820-R918 PolarHBondContact OE1-NH2 3.23Å; E820-R918 IonicContact OE2-CZ 3.72Å; E820-R918 IonicContact OE2-NH1 2.98Å; E820-R918 PolarHBondContact OE2-NH1 3.32Å; E820-R918 IonicContact OE2-NH2 3.28Å; E820-R918 PolarHBondContact OE2-NH2 3.41Å; E820-L1225 HydrophobicContact CB-CD2 4.13Å
821L92.1Very high86.7Confident0 Ų044.1 Ų44.10%023%0.226CC..Hα-helixtrans-66-39.8175.2-76.1173.9000112I807 I810 F816 T817 N818 L824 Y825 F906 A910I807-L821 HydrophobicContact CD1-CB 4.31Å; I807-L821 HydrophobicContact CG1-CB 4.11Å; I807-L821 HydrophobicContact CG2-CB 4.12Å; I807-L821 HydrophobicContact CG2-CD1 4.01Å; I810-L821 HydrophobicContact CG2-CD1 4.34Å; F816-L821 HydrophobicContact CB-CD2 4.07Å; F816-L821 HydrophobicContact CB-CG 3.89Å; F816-L821 HydrophobicContact CD2-CD2 4.07Å; T817-L821 WeakPolarHBondContact O-CG 3.27Å; T817-L821 PolarHBondContact O-N 2.82Å; N818-L821 PolarHBondContact O-N 2.63Å; L821-L824 PolarHBondContact O-N 3.18Å; L821-Y825 VanDerWaalsContact O-CB 3.29Å; L821-Y825 WeakPolarHBondContact O-CB 3.35Å; L821-Y825 PolarHBondContact O-N 3.02Å; L821-F906 HydrophobicContact CD2-CE1 4.44Å; L821-A910 HydrophobicContact CD2-CB 3.9Å
822E91.3Very high87Confident88 Ų8843.6 Ų43.641%0.41122%0.215SC..Hα-helixtrans-63.1-44.1173.6176.2167.4-177.400111.3M803 I807 N818 E819 L824 Y825 N826M803-E822 HydrophobicContact CE-CG 3.7Å; M803-E822 WeakPolarHBondContact CE-OE1 3.43Å; M803-E822 HydrophobicContact SD-CB 4.5Å; M803-E822 HydrophobicContact SD-CG 3.83Å; I807-E822 HydrophobicContact CD1-CB 3.86Å; N818-E822 WeakPolarHBondContact O-CB 3.47Å; N818-E822 PolarHBondContact O-N 2.7Å; E819-E822 PolarHBondContact O-N 2.69Å; E822-L824 PolarHBondContact O-N 3.18Å; E822-Y825 PolarHBondContact O-N 3.13Å; E822-N826 PolarHBondContact O-N 3.44Å; E822-N826 PolarHBondContact O-ND2 3.13Å
823A90.6Very high87Confident29 Ų2936 Ų3624%0.2418%0.183CC..Hα-helixtrans-60.7-44.5174.800000112E819 E820 N826 V827 I1229E819-A823 PolarHBondContact O-N 2.91Å; E820-A823 PolarHBondContact O-N 3.2Å; A823-N826 PolarHBondContact O-N 3.07Å; A823-V827 WeakPolarHBondContact O-CG2 3.34Å; A823-V827 PolarHBondContact O-N 3.4Å; A823-I1229 HydrophobicContact CB-CD1 3.76Å
824L92.3Very high86.7Confident0 Ų034.8 Ų34.80%018%0.177CC..Hα-helixtrans-64.8-42.7177.3-177.860.7000112.4F816 E820 L821 E822 N826 V827 V828 L879 F906 A910 L913 L1225F816-L824 HydrophobicContact CE2-CD2 4.34Å; E820-L824 WeakPolarHBondContact O-CB 3.2Å; E820-L824 PolarHBondContact O-N 2.84Å; L821-L824 PolarHBondContact O-N 3.18Å; E822-L824 PolarHBondContact O-N 3.18Å; L824-N826 VanDerWaalsContact C-N 3.3Å; L824-N826 PolarHBondContact O-N 3.29Å; L824-V827 WeakPolarHBondContact O-CB 3.29Å; L824-V827 PolarHBondContact O-N 2.8Å; L824-V828 PolarHBondContact O-N 3.17Å; L824-V828 VanDerWaalsContact O-N 3.13Å; L824-L879 HydrophobicContact CD1-CD1 3.44Å; L824-L879 VanDerWaalsContact CD1-CD1 3.44Å; L824-F906 HydrophobicContact CB-CE2 4.35Å; L824-F906 HydrophobicContact CB-CZ 4.22Å; L824-F906 HydrophobicContact CD2-CE2 4.21Å; L824-F906 HydrophobicContact CD2-CZ 4.18Å; L824-F906 HydrophobicContact CG-CE2 3.87Å; L824-F906 HydrophobicContact CG-CZ 4.08Å; L824-A910 HydrophobicContact CD2-CB 4.18Å; L824-L913 HydrophobicContact CD1-CD2 3.92Å; L824-L913 HydrophobicContact CD2-CD2 4.03Å; L824-L1225 HydrophobicContact CB-CD2 4.12Å; L824-L1225 HydrophobicContact CD2-CD2 4.36Å
825Y90.4Very high85.8Confident3 Ų335.5 Ų35.51%0.01218%0.182CC..Hα-helixtrans-59.3-43.9177-177.3-89.4000111.2M803 I806 L821 E822 V827 V828 K829 Q864 Y865 F906M803-Y825 HydrophobicContact CB-CD1 4.19Å; M803-Y825 HydrophobicContact CB-CE1 3.85Å; M803-Y825 HydrophobicContact CG-CD1 3.56Å; M803-Y825 HydrophobicContact CG-CD2 4.4Å; M803-Y825 HydrophobicContact CG-CE1 3.76Å; M803-Y825 HydrophobicContact CG-CG 3.89Å; M803-Y825 HydrophobicContact SD-CD1 3.66Å; M803-Y825 HydrophobicContact SD-CE1 4.13Å; M803-Y825 HydrophobicContact SD-CG 4.33Å; I806-Y825 HydrophobicContact CD1-CE2 3.96Å; L821-Y825 VanDerWaalsContact O-CB 3.29Å; L821-Y825 WeakPolarHBondContact O-CB 3.35Å; L821-Y825 PolarHBondContact O-N 3.02Å; E822-Y825 PolarHBondContact O-N 3.13Å; Y825-V827 VanDerWaalsContact C-N 3.32Å; Y825-V827 PolarHBondContact O-N 3.27Å; Y825-V828 PolarHBondContact O-N 3.04Å; Y825-K829 HydrophobicContact CE1-CB 4.49Å; Y825-K829 HydrophobicContact CE1-CD 4.17Å; Y825-K829 VanDerWaalsContact O-CB 3.3Å; Y825-K829 WeakPolarHBondContact O-CB 3.38Å; Y825-K829 PolarHBondContact O-N 3.4Å; Y825-Q864 PolarHBondContact OH-OE1 3.2Å; Y825-Y865 HydrophobicContact CE1-CD2 4.28Å; Y825-Y865 HydrophobicContact CE1-CE2 4.13Å; Y825-Y865 HydrophobicContact CE2-CD2 4.29Å; Y825-Y865 AromaticContact CZ-CD2 3.72Å; Y825-Y865 AromaticContact CZ-CE2 3.83Å; Y825-Y865 WeakPolarHBondContact OH-CD2 3.16Å; Y825-Y865 WeakPolarHBondContact OH-CE2 3.49Å; Y825-F906 AromaticContact CD2-CD1 3.94Å; Y825-F906 HydrophobicContact CD2-CD1 3.94Å; Y825-F906 HydrophobicContact CD2-CD2 4.04Å; Y825-F906 HydrophobicContact CD2-CE1 4.05Å; Y825-F906 HydrophobicContact CD2-CE2 4.14Å; Y825-F906 AromaticContact CD2-CG 3.94Å; Y825-F906 HydrophobicContact CD2-CG 3.94Å; Y825-F906 HydrophobicContact CD2-CZ 4.16Å; Y825-F906 HydrophobicContact CG-CE2 4.46Å; Y825-F906 HydrophobicContact CG-CZ 4.42Å
826N87.9Confident84.3Confident59 Ų5934 Ų3432%0.31618%0.176SC..Hα-helixtrans-63.8-34.3177.6-74.4-46.2000112.9E822 A823 L824 E830E822-N826 PolarHBondContact O-N 3.44Å; E822-N826 PolarHBondContact O-ND2 3.13Å; A823-N826 PolarHBondContact O-N 3.07Å; L824-N826 VanDerWaalsContact C-N 3.3Å; L824-N826 PolarHBondContact O-N 3.29Å; N826-E830 WeakPolarHBondContact O-CB 3.38Å; N826-E830 PolarHBondContact O-N 3.49Å
827V88Confident82.3Confident0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-64-49.1173.1172.20000111.1A823 L824 Y825 E830 E831 V875 I1229 Y1232 Y1233A823-V827 WeakPolarHBondContact O-CG2 3.34Å; A823-V827 PolarHBondContact O-N 3.4Å; L824-V827 WeakPolarHBondContact O-CB 3.29Å; L824-V827 PolarHBondContact O-N 2.8Å; Y825-V827 VanDerWaalsContact C-N 3.32Å; Y825-V827 PolarHBondContact O-N 3.27Å; V827-E830 PolarHBondContact O-N 3.01Å; V827-E831 PolarHBondContact O-N 3.21Å; V827-V875 HydrophobicContact CG1-CG1 4.35Å; V827-I1229 HydrophobicContact CG2-CD1 4.41Å; V827-I1229 HydrophobicContact CG2-CG1 4.28Å; V827-I1229 HydrophobicContact CG2-CG2 3.83Å; V827-Y1232 HydrophobicContact CG1-CD1 4.03Å; V827-Y1232 HydrophobicContact CG1-CD2 4.47Å; V827-Y1232 HydrophobicContact CG1-CE1 3.84Å; V827-Y1232 HydrophobicContact CG1-CE2 4.29Å; V827-Y1232 HydrophobicContact CG1-CG 4.39Å; V827-Y1233 HydrophobicContact CG2-CE2 3.94Å
828V87.5Confident80.4Confident2 Ų238.7 Ų38.71%0.01219%0.19CC..Hα-helixtrans-61.8-47.9179.6174.70000110.7L824 Y825 E830 E831 H832 L867 V875 F906 L909L824-V828 PolarHBondContact O-N 3.17Å; L824-V828 VanDerWaalsContact O-N 3.13Å; Y825-V828 PolarHBondContact O-N 3.04Å; V828-E830 VanDerWaalsContact C-N 3.34Å; V828-E830 PolarHBondContact O-N 2.99Å; V828-E831 PolarHBondContact O-N 2.94Å; V828-H832 VanDerWaalsContact O-CB 3.23Å; V828-H832 WeakPolarHBondContact O-CB 3.34Å; V828-H832 PolarHBondContact O-N 3.4Å; V828-L867 HydrophobicContact CG1-CD1 3.98Å; V828-L867 HydrophobicContact CG1-CD2 4.12Å; V828-L867 HydrophobicContact CG1-CG 4.07Å; V828-V875 HydrophobicContact CG2-CG1 4.34Å; V828-F906 HydrophobicContact CB-CD2 4.46Å; V828-F906 HydrophobicContact CG2-CD2 4.14Å; V828-F906 HydrophobicContact CG2-CE2 4.18Å; V828-L909 HydrophobicContact CG2-CD2 3.47Å; V828-L909 VanDerWaalsContact CG2-CD2 3.47Å
829K85.1Confident78.5Confident16 Ų1635.9 Ų35.97%0.0717%0.172CC..Hα-helixtrans-56.7-47.2176.7171172.6176.7162.80111.7L254 E799 Y825 H832 L833 Y865L254-K829 VanDerWaalsContact CD2-CE 3.46Å; E799-K829 IonicContact OE2-NZ 3.86Å; E799-K829 PolarHBondContact OE2-NZ 3.49Å; Y825-K829 HydrophobicContact CE1-CB 4.49Å; Y825-K829 HydrophobicContact CE1-CD 4.17Å; Y825-K829 VanDerWaalsContact O-CB 3.3Å; Y825-K829 WeakPolarHBondContact O-CB 3.38Å; Y825-K829 PolarHBondContact O-N 3.4Å; K829-H832 PolarHBondContact O-N 2.98Å; K829-L833 HydrophobicContact CG-CD1 3.96Å; K829-L833 VanDerWaalsContact O-CG 3.26Å; K829-L833 WeakPolarHBondContact O-CG 3.46Å; K829-L833 PolarHBondContact O-N 3.38Å; K829-Y865 HydrophobicContact CB-CD2 4.11Å; K829-Y865 HydrophobicContact CB-CE2 4.08Å; K829-Y865 HydrophobicContact CB-CG 4.42Å; K829-Y865 HydrophobicContact CD-CE2 3.71Å; K829-Y865 VanDerWaalsContact CE-OH 3.25Å; K829-Y865 WeakPolarHBondContact CE-OH 3.37Å; K829-Y865 HydrophobicContact CG-CD2 4.3Å; K829-Y865 HydrophobicContact CG-CE1 4.01Å; K829-Y865 HydrophobicContact CG-CE2 3.8Å; K829-Y865 PolarHBondContact NZ-OH 3.01Å
830E79.9Confident76.4Confident15 Ų1533.3 Ų33.37%0.0716%0.163CC..Hα-helixtrans-60.3-51.4-179.9172.8170.5-16800112K199 N826 V827 V828 H832 L833 L834 Y1233K199-E830 WeakPolarHBondContact CE-OE1 3.24Å; K199-E830 IonicContact NZ-OE1 3.85Å; K199-E830 PolarHBondContact NZ-OE1 2.83Å; K199-E830 IonicContact NZ-OE2 3.81Å; K199-E830 PolarHBondContact NZ-OE2 2.87Å; N826-E830 WeakPolarHBondContact O-CB 3.38Å; N826-E830 PolarHBondContact O-N 3.49Å; V827-E830 PolarHBondContact O-N 3.01Å; V828-E830 VanDerWaalsContact C-N 3.34Å; V828-E830 PolarHBondContact O-N 2.99Å; E830-H832 VanDerWaalsContact C-N 3.31Å; E830-H832 PolarHBondContact O-N 3.02Å; E830-L833 PolarHBondContact O-N 2.85Å; E830-L834 HydrophobicContact CG-CD1 3.85Å; E830-L834 WeakPolarHBondContact O-CG 3.32Å; E830-L834 PolarHBondContact O-N 2.93Å; E830-Y1233 WeakPolarHBondContact OE2-CE1 3.41Å; E830-Y1233 PolarHBondContact OE2-OH 2.86Å
831E79.3Confident73.8Confident4 Ų435.4 Ų35.42%0.01919%0.186CC..Hα-helixtrans-64.8-39.1179-72.7-58.9134.900111.5V827 V828 L833 L834 S835 L871 V875 Y1232 R1236V827-E831 PolarHBondContact O-N 3.21Å; V828-E831 PolarHBondContact O-N 2.94Å; E831-L833 VanDerWaalsContact C-N 3.31Å; E831-L833 PolarHBondContact O-N 3.39Å; E831-L834 PolarHBondContact O-N 3.47Å; E831-S835 WeakPolarHBondContact O-CB 3.37Å; E831-S835 PolarHBondContact O-N 3.38Å; E831-S835 PolarHBondContact O-OG 2.87Å; E831-L871 HydrophobicContact CB-CD1 3.61Å; E831-V875 HydrophobicContact CB-CG2 3.89Å; E831-V875 HydrophobicContact CG-CG2 3.91Å; E831-Y1232 HydrophobicContact CG-CE1 4.37Å; E831-Y1232 WeakPolarHBondContact CG-OH 3.45Å; E831-Y1232 PolarHBondContact OE1-OH 3.41Å; E831-R1236 IonicContact OE1-NE 3.98Å; E831-R1236 PolarHBondContact OE1-NE 3.09Å; E831-R1236 IonicContact OE2-NE 2.59Å; E831-R1236 PolarHBondContact OE2-NE 3.43Å; E831-R1236 IonicContact OE2-NH2 3.6Å
832H79.1Confident71.1Confident22 Ų2240.6 Ų40.610%0.10222%0.218CC..Hα-helixtrans-56-47.1176.2-172.296.5000111.3V828 K829 E830 W836 R839 Y865 R866 L871V828-H832 VanDerWaalsContact O-CB 3.23Å; V828-H832 WeakPolarHBondContact O-CB 3.34Å; V828-H832 PolarHBondContact O-N 3.4Å; K829-H832 PolarHBondContact O-N 2.98Å; E830-H832 VanDerWaalsContact C-N 3.31Å; E830-H832 PolarHBondContact O-N 3.02Å; H832-W836 PolarHBondContact O-N 3.38Å; H832-R839 PolarHBondContact O-NH2 3Å; H832-Y865 HydrophobicContact CB-CD1 4.16Å; H832-Y865 AromaticContact CD2-CD1 3.68Å; H832-Y865 AromaticContact CG-CD1 3.88Å; H832-R866 PolarHBondContact ND1-O 3.23Å; H832-L871 HydrophobicContact CB-CD2 3.75Å; H832-L871 WeakPolarHBondContact ND1-CD2 3.38Å
833L74.7Confident68.3Low35 Ų3539.2 Ų39.218%0.18322%0.218CC..Hα-helixtrans-69.9-36.2-179.5-68172.2000113T201 L254 K829 E830 E831 Y865T201-L833 HydrophobicContact CG2-CD1 4.17Å; L254-L833 HydrophobicContact CD2-CD1 3.77Å; L254-L833 HydrophobicContact CD2-CD2 4.45Å; K829-L833 HydrophobicContact CG-CD1 3.96Å; K829-L833 VanDerWaalsContact O-CG 3.26Å; K829-L833 WeakPolarHBondContact O-CG 3.46Å; K829-L833 PolarHBondContact O-N 3.38Å; E830-L833 PolarHBondContact O-N 2.85Å; E831-L833 VanDerWaalsContact C-N 3.31Å; E831-L833 PolarHBondContact O-N 3.39Å; L833-Y865 HydrophobicContact CD2-CE1 4.31Å; L833-Y865 HydrophobicContact CG-CE1 4.44Å
834L71.1Confident65.5Low19 Ų1941.3 Ų41.310%0.09924%0.235CC..Hα-helixtrans-74.2-43.4179.4-70.6173.2000112.5F182 E830 E831 W836F182-L834 HydrophobicContact CZ-CD2 4.39Å; E830-L834 HydrophobicContact CG-CD1 3.85Å; E830-L834 WeakPolarHBondContact O-CG 3.32Å; E830-L834 PolarHBondContact O-N 2.93Å; E831-L834 PolarHBondContact O-N 3.47Å; L834-W836 VanDerWaalsContact C-N 3.34Å; L834-W836 PolarHBondContact O-N 2.87Å
835S65.5Low62.6Low28 Ų2853.2 Ų53.220%0.19628%0.28CS..Hα-helixtrans-81.5-8.6-174.655.60000114.4E831 R837 H838 R839E831-S835 WeakPolarHBondContact O-CB 3.37Å; E831-S835 PolarHBondContact O-N 3.38Å; E831-S835 PolarHBondContact O-OG 2.87Å; S835-R837 VanDerWaalsContact C-N 3.26Å; S835-R837 PolarHBondContact O-N 3.48Å; S835-R837 VanDerWaalsContact O-N 3.15Å; S835-H838 PolarHBondContact O-N 3.46Å; S835-R839 PolarHBondContact O-N 3.21Å; S835-R839 PolarHBondContact OG-NH1 2.93Å
836W57.4Low59.6Low46 Ų4655 Ų5517%0.17430%0.3CS..Hα-helixtrans-52.2-39-178.6-179.979.5000114E257 E258 G259 H832 L834 R839 L840E257-W836 PolarHBondContact O-NE1 3.49Å; E257-W836 VanDerWaalsContact O-NE1 3.09Å; E258-W836 VanDerWaalsContact CA-CZ2 3.47Å; E258-W836 HydrophobicContact CB-CH2 4.45Å; E258-W836 HydrophobicContact CB-CZ2 4.05Å; E258-W836 HydrophobicContact CG-CZ2 4.27Å; G259-W836 VanDerWaalsContact CA-CH2 3.45Å; G259-W836 WeakPolarHBondContact O-CH2 3.25Å; G259-W836 WeakPolarHBondContact O-CZ3 3.25Å; H832-W836 PolarHBondContact O-N 3.38Å; L834-W836 VanDerWaalsContact C-N 3.34Å; L834-W836 PolarHBondContact O-N 2.87Å; W836-R839 PolarHBondContact O-N 3.48Å; W836-L840 HydrophobicContact CD2-CD1 4.13Å; W836-L840 HydrophobicContact CE3-CD1 4.27Å; W836-L840 HydrophobicContact CH2-CD1 3.5Å; W836-L840 HydrophobicContact CZ2-CD1 3.36Å; W836-L840 HydrophobicContact CZ3-CD1 3.97Å; W836-L840 PolarHBondContact O-N 3.45Å
837R51.8Low56.9Low62 Ų6258.8 Ų58.823%0.23431%0.313CS..Hα-helixtrans-71.5-37.7-178.8-72.5-174.9173.5147.78.5114.3F260 S835 R839 G841F260-R837 VanDerWaalsContact CB-NH2 3.35Å; F260-R837 PolarHBondContact O-NE 2.75Å; F260-R837 PolarHBondContact O-NH2 2.9Å; F260-R837 VanDerWaalsContact O-NH2 3.1Å; S835-R837 VanDerWaalsContact C-N 3.26Å; S835-R837 PolarHBondContact O-N 3.48Å; S835-R837 VanDerWaalsContact O-N 3.15Å; R837-R839 VanDerWaalsContact C-N 3.28Å; R837-G841 PolarHBondContact O-N 3.43Å
838H50.7Low54Low115 Ų11567.6 Ų67.653%0.53236%0.356SS..Hα-helixtrans-66-36.2177.7-87.2-84.5000110.7S835 G841 V842S835-H838 PolarHBondContact O-N 3.46Å; H838-G841 PolarHBondContact O-N 2.91Å; H838-V842 WeakPolarHBondContact O-CG2 3.3Å; H838-V842 PolarHBondContact O-N 2.94Å; H838-V842 VanDerWaalsContact O-N 3.16Å
839R52.1Low51.2Low44 Ų4471.9 Ų71.917%0.16639%0.392CS..Hα-helixtrans-63.9-40.1177.7-68.4-165.7-70-93.5-5.1113.9H832 S835 W836 R837 G841 S843 D868H832-R839 PolarHBondContact O-NH2 3Å; S835-R839 PolarHBondContact O-N 3.21Å; S835-R839 PolarHBondContact OG-NH1 2.93Å; W836-R839 PolarHBondContact O-N 3.48Å; R837-R839 VanDerWaalsContact C-N 3.28Å; R839-G841 VanDerWaalsContact C-N 3.31Å; R839-G841 PolarHBondContact O-N 3.4Å; R839-S843 PolarHBondContact O-N 3.02Å; R839-D868 WeakPolarHBondContact CD-OD2 3.41Å; R839-D868 IonicContact NE-OD2 3.25Å
840L45Very low48.5Very low106 Ų10674.9 Ų74.956%0.55542%0.42SS*.Hα-helixtrans-67.3-29175.7-77.7168.1000113.3W836W836-L840 HydrophobicContact CD2-CD1 4.13Å; W836-L840 HydrophobicContact CE3-CD1 4.27Å; W836-L840 HydrophobicContact CH2-CD1 3.5Å; W836-L840 HydrophobicContact CZ2-CD1 3.36Å; W836-L840 HydrophobicContact CZ3-CD1 3.97Å; W836-L840 PolarHBondContact O-N 3.45Å
841G37.9Very low46.2Very low51 Ų5178.8 Ų78.853%0.52645%0.445SS..Hα-helixtrans-82.4-30.6-179.200000114.7R837 H838 R839R837-G841 PolarHBondContact O-N 3.43Å; H838-G841 PolarHBondContact O-N 2.91Å; R839-G841 VanDerWaalsContact C-N 3.31Å; R839-G841 PolarHBondContact O-N 3.4Å
842V35Very low43.7Very low109 Ų10984.3 Ų84.366%0.66148%0.479SS*.Hα-helixtrans-83-31.8-177.9177.60000111.8H838 A844H838-V842 WeakPolarHBondContact O-CG2 3.3Å; H838-V842 PolarHBondContact O-N 2.94Å; H838-V842 VanDerWaalsContact O-N 3.16Å; V842-A844 VanDerWaalsContact C-N 3.28Å; V842-A844 PolarHBondContact O-N 3.36Å
843S33.6Very low41.4Very low58 Ų5891.2 Ų91.241%0.40651%0.511SS..G310 helixtrans-73-18.8173.9-162.40000113.4R839 R845 G846R839-S843 PolarHBondContact O-N 3.02Å; S843-R845 PolarHBondContact O-N 2.86Å; S843-R845 VanDerWaalsContact O-N 3.13Å; S843-G846 PolarHBondContact O-N 3.15Å
844A31.7Very low39.5Very low73 Ų7395.8 Ų95.860%0.60353%0.526SS*.G310 helixtrans-69-9.2179.900000114.9V842V842-A844 VanDerWaalsContact C-N 3.28Å; V842-A844 PolarHBondContact O-N 3.36Å
845R30.3Very low37.6Very low251 Ų25199.3 Ų99.395%0.94755%0.55SS*.G310 helixtrans-102-3.9176.8-96.9-177.9-179.7175.30.9115S843S843-R845 PolarHBondContact O-N 2.86Å; S843-R845 VanDerWaalsContact O-N 3.13Å
846G27.8Very low36.3Very low41 Ų41108.4 Ų108.442%0.42358%0.58SS.*SBendtrans-129111.1178.800000112.6S843S843-G846 PolarHBondContact O-N 3.15Å
847K30.4Very low35.2Very low138 Ų138111.7 Ų111.760%0.661%0.607SS**  trans55.980.4165.9-63.4-175.7176.8-175.10116A849 D1031K847-A849 PolarHBondContact O-N 3.45Å; K847-D1031 IonicContact NZ-OD1 3.58Å
848M28.6Very low34.6Very low184 Ų184112.3 Ų112.391%0.90662%0.615SS**THydrogen-bonded Turntrans-6220.8170.1-104.5-168.872.400116.7
849A28.6Very low34Very low93 Ų93112 Ų11277%0.76962%0.623SS**THydrogen-bonded Turntrans-133.4-2.8-176.600000115.7K847K847-A849 PolarHBondContact O-N 3.45Å
850A28.3Very low33.6Very low78 Ų78112.4 Ų112.465%0.64563%0.632SS**THydrogen-bonded Turntrans-131.7-1.9-17800000115.2
851V30.6Very low33.3Very low98 Ų98110 Ų11059%0.59463%0.627SS**SBendtrans-111.77.2179.5-171.60000112.1E853V851-E853 VanDerWaalsContact C-N 3.27Å
852T28.2Very low33.7Very low120 Ų120110.9 Ų110.974%0.73662%0.618SS**  trans-82.2-6168.749.80000113R854T852-R854 VanDerWaalsContact C-N 3.31Å; T852-R854 PolarHBondContact O-N 3.22Å; T852-R854 VanDerWaalsContact O-N 3.08Å
853E29.5Very low34.6Very low166 Ų166107.1 Ų107.178%0.77660%0.597SS**SBendtrans-7891.3162.3-72.8-168172.400107.9V851V851-E853 VanDerWaalsContact C-N 3.27Å
854R34.6Very low36.1Very low131 Ų131104.7 Ų104.749%0.49458%0.579SS.*  trans-43.2133.1157.6-71176173.4170.9-8.5107.4E258 N570 T852 R856E258-R854 IonicContact OE1-CZ 3.81Å; E258-R854 IonicContact OE1-NH2 3.49Å; E258-R854 PolarHBondContact OE1-NH2 2.99Å; N570-R854 PolarHBondContact OD1-NH1 3.22Å; T852-R854 VanDerWaalsContact C-N 3.31Å; T852-R854 PolarHBondContact O-N 3.22Å; T852-R854 VanDerWaalsContact O-N 3.08Å; R854-R856 PolarHBondContact O-N 3.02Å; R854-R856 VanDerWaalsContact O-N 3.16Å
855P33Very low38.1Very low93 Ų93101.4 Ų101.460%0.60455%0.551SS**  trans-48.7129.6171.4-22.230.7000108L903P855-L903 HydrophobicContact CB-CD1 4.01Å; P855-L903 HydrophobicContact CG-CD1 3.81Å
856R36.4Very low40.3Very low220 Ų22091.4 Ų91.483%0.8351%0.513SS*.  trans-48.2135.2179-65.3-179.5-170.8174.73.1108.3R854 D858R854-R856 PolarHBondContact O-N 3.02Å; R854-R856 VanDerWaalsContact O-N 3.16Å; R856-D858 PolarHBondContact O-N 3.27Å
857P34.6Very low42.8Very low114 Ų11489.4 Ų89.474%0.7449%0.493SS*.  trans-53.5112.5175.2-21.530.3000108.8P859P857-P859 WeakPolarHBondContact O-CD 3.46Å
858D39.7Very low45.3Very low76 Ų7684.7 Ų84.741%0.40647%0.474SS..  trans-80.6118.3172.3-172.2-27.7000107.1R856 C860 R866R856-D858 PolarHBondContact O-N 3.27Å; D858-C860 PolarHBondContact O-N 2.99Å; D858-C860 WeakPolarHBondContact OD1-CB 3.45Å; D858-C860 PolarHBondContact OD1-N 3.21Å; D858-R866 IonicContact OD2-CZ 3.87Å; D858-R866 IonicContact OD2-NH2 3.71Å; D858-R866 PolarHBondContact OD2-NH2 3.15Å
859P38.2Very low47.8Very low108 Ų10879.2 Ų79.270%0.70144%0.444SS*.  trans-63.7-8.6-177.7-16.328.5000114.1V529 P857 A861V529-P859 HydrophobicContact CG2-CG 4.31Å; P857-P859 WeakPolarHBondContact O-CD 3.46Å; P859-A861 PolarHBondContact O-N 3.17Å
860C44.3Very low50.3Low52 Ų5279.1 Ų79.135%0.35143%0.43SS..  trans-74.9124.4-176.1-165.50000112.1D858 Q862 S863D858-C860 PolarHBondContact O-N 2.99Å; D858-C860 WeakPolarHBondContact OD1-CB 3.45Å; D858-C860 PolarHBondContact OD1-N 3.21Å; C860-Q862 PolarHBondContact O-N 3.46Å; C860-S863 VanDerWaalsContact O-CB 3.28Å; C860-S863 WeakPolarHBondContact O-CB 3.49Å; C860-S863 PolarHBondContact O-N 3.29Å; C860-S863 PolarHBondContact O-OG 2.63Å
861A38.4Very low52.8Low55 Ų5575.5 Ų75.546%0.45540%0.4SS..G310 helixtrans-54.4-12.9175.100000114.8P859 S863P859-A861 PolarHBondContact O-N 3.17Å; A861-S863 VanDerWaalsContact C-N 3.27Å; A861-S863 PolarHBondContact O-N 3.02Å
862Q45.2Very low55.5Low71 Ų7170.8 Ų70.833%0.33237%0.372SS..G310 helixtrans-79.9-0.2177.3-61.1174.1-10.300113.9C860C860-Q862 PolarHBondContact O-N 3.46Å
863S55.7Low58.2Low30 Ų3066.5 Ų66.521%0.2135%0.346CS..G310 helixtrans-91.8-1.7-171.564.70000115.7C860 A861 R866C860-S863 VanDerWaalsContact O-CB 3.28Å; C860-S863 WeakPolarHBondContact O-CB 3.49Å; C860-S863 PolarHBondContact O-N 3.29Å; C860-S863 PolarHBondContact O-OG 2.63Å; A861-S863 VanDerWaalsContact C-N 3.27Å; A861-S863 PolarHBondContact O-N 3.02Å; S863-R866 WeakPolarHBondContact O-CG 3.14Å
864Q64.7Low60.8Low6 Ų662.5 Ų62.53%0.02833%0.328CS..THydrogen-bonded Turntrans-73.5131.8-177.3-160.5-177.613.600112E799 Q802 I806 Y825E799-Q864 PolarHBondContact OE1-NE2 3.06Å; E799-Q864 PolarHBondContact OE2-NE2 3.04Å; Q802-Q864 VanDerWaalsContact CD-CD 3.43Å; Q802-Q864 VanDerWaalsContact OE1-CD 3.29Å; I806-Q864 HydrophobicContact CD1-CB 4.33Å; Y825-Q864 PolarHBondContact OH-OE1 3.2Å
865Y72.3Confident63.3Low5 Ų556.2 Ų56.22%0.0230%0.304CS..THydrogen-bonded Turntrans59.551.3-176-49.5-65.2000113.5L254 E799 Y825 K829 H832 L833L254-Y865 WeakPolarHBondContact CD2-OH 3.42Å; E799-Y865 PolarHBondContact OE2-OH 2.91Å; Y825-Y865 HydrophobicContact CE1-CD2 4.28Å; Y825-Y865 HydrophobicContact CE1-CE2 4.13Å; Y825-Y865 HydrophobicContact CE2-CD2 4.29Å; Y825-Y865 AromaticContact CZ-CD2 3.72Å; Y825-Y865 AromaticContact CZ-CE2 3.83Å; Y825-Y865 WeakPolarHBondContact OH-CD2 3.16Å; Y825-Y865 WeakPolarHBondContact OH-CE2 3.49Å; K829-Y865 HydrophobicContact CB-CD2 4.11Å; K829-Y865 HydrophobicContact CB-CE2 4.08Å; K829-Y865 HydrophobicContact CB-CG 4.42Å; K829-Y865 HydrophobicContact CD-CE2 3.71Å; K829-Y865 VanDerWaalsContact CE-OH 3.25Å; K829-Y865 WeakPolarHBondContact CE-OH 3.37Å; K829-Y865 HydrophobicContact CG-CD2 4.3Å; K829-Y865 HydrophobicContact CG-CE1 4.01Å; K829-Y865 HydrophobicContact CG-CE2 3.8Å; K829-Y865 PolarHBondContact NZ-OH 3.01Å; H832-Y865 HydrophobicContact CB-CD1 4.16Å; H832-Y865 AromaticContact CD2-CD1 3.68Å; H832-Y865 AromaticContact CG-CD1 3.88Å; L833-Y865 HydrophobicContact CD2-CE1 4.31Å; L833-Y865 HydrophobicContact CG-CE1 4.44Å
866R77.7Confident66.1Low40 Ų4051.9 Ų51.915%0.15128%0.275CS..  trans-55.4145.3173-61.8-158.5178-163.3-8.5111.3H832 D858 S863 N901 L903 L904H832-R866 PolarHBondContact ND1-O 3.23Å; D858-R866 IonicContact OD2-CZ 3.87Å; D858-R866 IonicContact OD2-NH2 3.71Å; D858-R866 PolarHBondContact OD2-NH2 3.15Å; S863-R866 WeakPolarHBondContact O-CG 3.14Å; R866-N901 PolarHBondContact NH1-ND2 3.48Å; R866-L903 HydrophobicContact CB-CB 4.21Å; R866-L903 HydrophobicContact CB-CD2 4.2Å; R866-L904 CarbonylContact C-O 3.54Å; R866-L904 WeakPolarHBondContact CA-O 3.2Å
867L80.8Confident68.7Low0 Ų043 Ų430%025%0.246CC..BIsolated β-bridgetrans-99.8111.4176.8-58.891000109.2V828 L871 F872 L904 L909V828-L867 HydrophobicContact CG1-CD1 3.98Å; V828-L867 HydrophobicContact CG1-CD2 4.12Å; V828-L867 HydrophobicContact CG1-CG 4.07Å; L867-L871 HydrophobicContact CB-CD2 4.44Å; L867-L871 HydrophobicContact CD2-CG 4.36Å; L867-L871 HydrophobicContact CG-CD2 4.11Å; L867-L871 HydrophobicContact CG-CG 4.36Å; L867-F872 HydrophobicContact CB-CB 4.34Å; L867-F872 HydrophobicContact CD2-CD2 4.42Å; L867-L904 HydrophobicContact CB-CB 4.33Å; L867-L904 PolarHBondContact N-O 3.45Å; L867-L904 PolarHBondContact O-N 3.21Å; L867-L909 HydrophobicContact CD2-CD2 3.92Å
868D81.8Confident71.3Confident39 Ų3941.4 Ų41.421%0.20923%0.225CC..  trans-72.2174159.260.110.4000110.2R839 D870 L871 F872 L903R839-D868 WeakPolarHBondContact CD-OD2 3.41Å; R839-D868 IonicContact NE-OD2 3.25Å; D868-D870 VanDerWaalsContact C-N 3.3Å; D868-D870 PolarHBondContact O-N 3.27Å; D868-L871 PolarHBondContact O-N 2.88Å; D868-L871 WeakPolarHBondContact OD1-CB 3.43Å; D868-L871 PolarHBondContact OD1-N 3.22Å; D868-F872 VanDerWaalsContact O-CB 3.26Å; D868-F872 WeakPolarHBondContact O-CB 3.33Å; D868-F872 PolarHBondContact O-N 3.32Å; D868-L903 HydrophobicContact CB-CD2 4.15Å
869Y81.7Confident73.9Confident69 Ų6937.8 Ų37.827%0.27121%0.206SC..Hα-helixtrans-59.5-41.7-179176.9-104.7000112.2F872 S873 I889 I890 F893Y869-F872 PolarHBondContact O-N 3.24Å; Y869-S873 VanDerWaalsContact O-CB 3.27Å; Y869-S873 WeakPolarHBondContact O-CB 3.48Å; Y869-S873 PolarHBondContact O-N 3.28Å; Y869-S873 PolarHBondContact O-OG 3.44Å; Y869-I889 HydrophobicContact CE2-CG2 4.26Å; Y869-I890 HydrophobicContact CD2-CG1 4.42Å; Y869-I890 HydrophobicContact CE2-CB 3.77Å; Y869-I890 HydrophobicContact CE2-CD1 4.43Å; Y869-I890 HydrophobicContact CE2-CG1 3.82Å; Y869-F893 VanDerWaalsContact CA-CE2 3.5Å; Y869-F893 HydrophobicContact CD2-CB 3.99Å; Y869-F893 HydrophobicContact CD2-CD1 4.15Å; Y869-F893 HydrophobicContact CD2-CD2 4.13Å; Y869-F893 AromaticContact CD2-CG 3.82Å; Y869-F893 HydrophobicContact CD2-CG 3.82Å; Y869-F893 HydrophobicContact CE2-CB 4.43Å
870D80.1Confident76.5Confident90 Ų9032.7 Ų32.748%0.48117%0.173SC..Hα-helixtrans-60.7-51.4-179.2-66.7-19.7000110.7D868 F872 S873 E874D868-D870 VanDerWaalsContact C-N 3.3Å; D868-D870 PolarHBondContact O-N 3.27Å; D870-F872 PolarHBondContact O-N 3.18Å; D870-S873 PolarHBondContact O-N 3.02Å; D870-S873 PolarHBondContact O-OG 3.08Å; D870-E874 WeakPolarHBondContact O-CG 3.49Å; D870-E874 PolarHBondContact O-N 3.16Å; D870-E874 VanDerWaalsContact O-N 3.14Å
871L81.6Confident78.6Confident2 Ų231.9 Ų31.91%0.0117%0.167CC..Hα-helixtrans-63.5-41.8177.4-178.259.8000111.9E831 H832 L867 D868 S873 E874 V875E831-L871 HydrophobicContact CB-CD1 3.61Å; H832-L871 HydrophobicContact CB-CD2 3.75Å; H832-L871 WeakPolarHBondContact ND1-CD2 3.38Å; L867-L871 HydrophobicContact CB-CD2 4.44Å; L867-L871 HydrophobicContact CD2-CG 4.36Å; L867-L871 HydrophobicContact CG-CD2 4.11Å; L867-L871 HydrophobicContact CG-CG 4.36Å; D868-L871 PolarHBondContact O-N 2.88Å; D868-L871 WeakPolarHBondContact OD1-CB 3.43Å; D868-L871 PolarHBondContact OD1-N 3.22Å; L871-S873 VanDerWaalsContact C-N 3.33Å; L871-S873 PolarHBondContact O-N 3.28Å; L871-E874 PolarHBondContact O-N 3.16Å; L871-V875 HydrophobicContact CD1-CG2 4.02Å; L871-V875 WeakPolarHBondContact O-CG2 3.47Å; L871-V875 PolarHBondContact O-N 2.97Å; L871-V875 VanDerWaalsContact O-N 3.09Å
872F86.1Confident81Confident0 Ų030.2 Ų30.20%015%0.149CC..Hα-helixtrans-60.5-44176.7-178.3-97.1000111.4L867 D868 Y869 D870 E874 V875 F876 I889 V892 F893 L896 L904 L909L867-F872 HydrophobicContact CB-CB 4.34Å; L867-F872 HydrophobicContact CD2-CD2 4.42Å; D868-F872 VanDerWaalsContact O-CB 3.26Å; D868-F872 WeakPolarHBondContact O-CB 3.33Å; D868-F872 PolarHBondContact O-N 3.32Å; Y869-F872 PolarHBondContact O-N 3.24Å; D870-F872 PolarHBondContact O-N 3.18Å; F872-E874 VanDerWaalsContact C-N 3.28Å; F872-E874 PolarHBondContact O-N 3.37Å; F872-V875 PolarHBondContact O-N 3.31Å; F872-F876 HydrophobicContact CD1-CB 4.21Å; F872-F876 HydrophobicContact CD2-CB 4.18Å; F872-F876 HydrophobicContact CE1-CB 3.92Å; F872-F876 AromaticContact CE1-CD1 3.86Å; F872-F876 HydrophobicContact CE1-CD1 3.86Å; F872-F876 HydrophobicContact CE1-CD2 4.46Å; F872-F876 HydrophobicContact CE1-CE1 4.48Å; F872-F876 AromaticContact CE1-CG 3.84Å; F872-F876 HydrophobicContact CE1-CG 3.84Å; F872-F876 HydrophobicContact CE2-CB 3.89Å; F872-F876 AromaticContact CE2-CD2 3.83Å; F872-F876 HydrophobicContact CE2-CD2 3.83Å; F872-F876 AromaticContact CE2-CG 3.89Å; F872-F876 HydrophobicContact CE2-CG 3.89Å; F872-F876 HydrophobicContact CG-CB 4.33Å; F872-F876 HydrophobicContact CZ-CB 3.74Å; F872-F876 AromaticContact CZ-CD1 3.75Å; F872-F876 HydrophobicContact CZ-CD1 3.75Å; F872-F876 AromaticContact CZ-CD2 3.6Å; F872-F876 HydrophobicContact CZ-CD2 3.6Å; F872-F876 HydrophobicContact CZ-CE1 4.21Å; F872-F876 HydrophobicContact CZ-CE2 4.08Å; F872-F876 AromaticContact CZ-CG 3.42Å; F872-F876 HydrophobicContact CZ-CG 3.42Å; F872-F876 VanDerWaalsContact CZ-CG 3.42Å; F872-F876 HydrophobicContact CZ-CZ 4.36Å; F872-F876 WeakPolarHBondContact O-CB 3.41Å; F872-F876 PolarHBondContact O-N 2.87Å; F872-I889 HydrophobicContact CD1-CG2 3.92Å; F872-I889 HydrophobicContact CE1-CG2 3.91Å; F872-V892 HydrophobicContact CE1-CB 4.44Å; F872-V892 HydrophobicContact CE1-CG1 4.3Å; F872-V892 HydrophobicContact CZ-CB 4.36Å; F872-V892 HydrophobicContact CZ-CG1 3.74Å; F872-F893 HydrophobicContact CB-CD2 3.8Å; F872-F893 HydrophobicContact CB-CE2 4.09Å; F872-F893 HydrophobicContact CD1-CB 4.05Å; F872-F893 AromaticContact CD1-CD2 3.8Å; F872-F893 HydrophobicContact CD1-CD2 3.8Å; F872-F893 HydrophobicContact CD1-CG 4.42Å; F872-F893 HydrophobicContact CD2-CD2 4.44Å; F872-F893 HydrophobicContact CE1-CB 4.12Å; F872-F893 AromaticContact CG-CD2 3.76Å; F872-F893 HydrophobicContact CG-CD2 3.76Å; F872-F893 HydrophobicContact CG-CE2 4.47Å; F872-L896 HydrophobicContact CE2-CD1 4.49Å; F872-L904 HydrophobicContact CD2-CD1 3.76Å; F872-L904 HydrophobicContact CE2-CD1 3.96Å; F872-L904 HydrophobicContact CG-CD1 4.26Å; F872-L909 HydrophobicContact CD2-CD1 4.23Å; F872-L909 HydrophobicContact CE2-CD1 3.82Å
873S85.6Confident83Confident29 Ų2929.9 Ų29.920%0.20315%0.153CC..Hα-helixtrans-66.7-26.5179.976.60000113.4Y869 D870 L871 P877Y869-S873 VanDerWaalsContact O-CB 3.27Å; Y869-S873 WeakPolarHBondContact O-CB 3.48Å; Y869-S873 PolarHBondContact O-N 3.28Å; Y869-S873 PolarHBondContact O-OG 3.44Å; D870-S873 PolarHBondContact O-N 3.02Å; D870-S873 PolarHBondContact O-OG 3.08Å; L871-S873 VanDerWaalsContact C-N 3.33Å; L871-S873 PolarHBondContact O-N 3.28Å; S873-P877 WeakPolarHBondContact O-CD 3.27Å; S873-P877 WeakPolarHBondContact O-CG 3.12Å
874E83.7Confident84.4Confident82 Ų8229.9 Ų29.938%0.38315%0.152SC..Hα-helixtrans-80.9-35.9175-74.1-66.9151.800112.8D870 L871 F872 R878D870-E874 WeakPolarHBondContact O-CG 3.49Å; D870-E874 PolarHBondContact O-N 3.16Å; D870-E874 VanDerWaalsContact O-N 3.14Å; L871-E874 PolarHBondContact O-N 3.16Å; F872-E874 VanDerWaalsContact C-N 3.28Å; F872-E874 PolarHBondContact O-N 3.37Å; E874-R878 PolarHBondContact O-NH1 3.43Å; E874-R878 IonicContact OE2-CZ 3.55Å; E874-R878 IonicContact OE2-NH1 3.21Å; E874-R878 PolarHBondContact OE2-NH1 3.45Å; E874-R878 IonicContact OE2-NH2 3.18Å; E874-R878 PolarHBondContact OE2-NH2 3.11Å
875V88.2Confident85.5Confident0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-89-53.1-174.3175.30000111.9V827 V828 E831 L871 F872 R878 L879V827-V875 HydrophobicContact CG1-CG1 4.35Å; V828-V875 HydrophobicContact CG2-CG1 4.34Å; E831-V875 HydrophobicContact CB-CG2 3.89Å; E831-V875 HydrophobicContact CG-CG2 3.91Å; L871-V875 HydrophobicContact CD1-CG2 4.02Å; L871-V875 WeakPolarHBondContact O-CG2 3.47Å; L871-V875 PolarHBondContact O-N 2.97Å; L871-V875 VanDerWaalsContact O-N 3.09Å; F872-V875 PolarHBondContact O-N 3.31Å; V875-R878 PolarHBondContact O-N 2.96Å; V875-L879 HydrophobicContact CG1-CD1 3.66Å; V875-L879 HydrophobicContact CG1-CG 4.44Å; V875-L879 PolarHBondContact O-N 2.95Å
876F91.8Very high86.1Confident1 Ų137.2 Ų37.20%0.00419%0.193CC..THydrogen-bonded Turntrans-56.7-54.2-169.5-179.1-106.1000114.3F872 R878 L879 L880 F888 V892 L909 L916F872-F876 HydrophobicContact CD1-CB 4.21Å; F872-F876 HydrophobicContact CD2-CB 4.18Å; F872-F876 HydrophobicContact CE1-CB 3.92Å; F872-F876 AromaticContact CE1-CD1 3.86Å; F872-F876 HydrophobicContact CE1-CD1 3.86Å; F872-F876 HydrophobicContact CE1-CD2 4.46Å; F872-F876 HydrophobicContact CE1-CE1 4.48Å; F872-F876 AromaticContact CE1-CG 3.84Å; F872-F876 HydrophobicContact CE1-CG 3.84Å; F872-F876 HydrophobicContact CE2-CB 3.89Å; F872-F876 AromaticContact CE2-CD2 3.83Å; F872-F876 HydrophobicContact CE2-CD2 3.83Å; F872-F876 AromaticContact CE2-CG 3.89Å; F872-F876 HydrophobicContact CE2-CG 3.89Å; F872-F876 HydrophobicContact CG-CB 4.33Å; F872-F876 HydrophobicContact CZ-CB 3.74Å; F872-F876 AromaticContact CZ-CD1 3.75Å; F872-F876 HydrophobicContact CZ-CD1 3.75Å; F872-F876 AromaticContact CZ-CD2 3.6Å; F872-F876 HydrophobicContact CZ-CD2 3.6Å; F872-F876 HydrophobicContact CZ-CE1 4.21Å; F872-F876 HydrophobicContact CZ-CE2 4.08Å; F872-F876 AromaticContact CZ-CG 3.42Å; F872-F876 HydrophobicContact CZ-CG 3.42Å; F872-F876 VanDerWaalsContact CZ-CG 3.42Å; F872-F876 HydrophobicContact CZ-CZ 4.36Å; F872-F876 WeakPolarHBondContact O-CB 3.41Å; F872-F876 PolarHBondContact O-N 2.87Å; F876-R878 VanDerWaalsContact C-N 3.28Å; F876-R878 PolarHBondContact O-N 2.91Å; F876-L879 PolarHBondContact O-N 3.49Å; F876-L879 VanDerWaalsContact O-N 3.11Å; F876-L880 HydrophobicContact CD1-CD1 4.24Å; F876-L880 HydrophobicContact CE1-CD1 3.76Å; F876-L880 HydrophobicContact CZ-CD1 4.08Å; F876-L880 HydrophobicContact CZ-CD2 4.43Å; F876-F888 HydrophobicContact CE1-CE1 4.14Å; F876-V892 HydrophobicContact CE1-CB 4.43Å; F876-V892 HydrophobicContact CE1-CG1 4.25Å; F876-V892 HydrophobicContact CE1-CG2 4.28Å; F876-V892 HydrophobicContact CE2-CG1 4.44Å; F876-V892 HydrophobicContact CZ-CG1 3.94Å; F876-V892 HydrophobicContact CZ-CG2 4.36Å; F876-L909 HydrophobicContact CD2-CD1 3.86Å; F876-L916 HydrophobicContact CE2-CD1 4.05Å; F876-L916 HydrophobicContact CZ-CD1 3.66Å
877P90.9Very high86.4Confident33 Ų3337.5 Ų37.521%0.21420%0.197CC..G310 helixtrans-65.8-29.4-17626.6-36000113.2S873 L879 L880 V884 I889S873-P877 WeakPolarHBondContact O-CD 3.27Å; S873-P877 WeakPolarHBondContact O-CG 3.12Å; P877-L879 PolarHBondContact O-N 3.26Å; P877-L880 PolarHBondContact O-N 3.44Å; P877-V884 HydrophobicContact CB-CG2 3.62Å; P877-I889 HydrophobicContact CB-CD1 3.86Å; P877-I889 HydrophobicContact CG-CD1 3.81Å
878R89.8Confident86.8Confident81 Ų8137.6 Ų37.631%0.30620%0.198SC..G310 helixtrans-73.8-18178.3-64.2-172.8-176.4117.9-0.6113E874 V875 F876 Y1232E874-R878 PolarHBondContact O-NH1 3.43Å; E874-R878 IonicContact OE2-CZ 3.55Å; E874-R878 IonicContact OE2-NH1 3.21Å; E874-R878 PolarHBondContact OE2-NH1 3.45Å; E874-R878 IonicContact OE2-NH2 3.18Å; E874-R878 PolarHBondContact OE2-NH2 3.11Å; V875-R878 PolarHBondContact O-N 2.96Å; F876-R878 VanDerWaalsContact C-N 3.28Å; F876-R878 PolarHBondContact O-N 2.91Å; R878-Y1232 HydrophobicContact CB-CD2 3.45Å; R878-Y1232 VanDerWaalsContact CB-CD2 3.45Å; R878-Y1232 HydrophobicContact CB-CE2 3.7Å; R878-Y1232 HydrophobicContact CG-CD2 4.41Å; R878-Y1232 HydrophobicContact CG-CE2 4.31Å
879L93Very high87.1Confident0 Ų036 Ų360%019%0.189CC..G310 helixtrans-93.85.4174-64176.5000112.9L824 V875 F876 P877 L913 L1228 I1229 Y1232L824-L879 HydrophobicContact CD1-CD1 3.44Å; L824-L879 VanDerWaalsContact CD1-CD1 3.44Å; V875-L879 HydrophobicContact CG1-CD1 3.66Å; V875-L879 HydrophobicContact CG1-CG 4.44Å; V875-L879 PolarHBondContact O-N 2.95Å; F876-L879 PolarHBondContact O-N 3.49Å; F876-L879 VanDerWaalsContact O-N 3.11Å; P877-L879 PolarHBondContact O-N 3.26Å; L879-L913 HydrophobicContact CB-CD1 4.28Å; L879-L913 HydrophobicContact CB-CD2 4.11Å; L879-L913 HydrophobicContact CD1-CD2 4Å; L879-L1228 WeakPolarHBondContact O-CD1 3.43Å; L879-I1229 HydrophobicContact CD2-CG1 3.98Å; L879-Y1232 HydrophobicContact CD2-CD2 4.12Å; L879-Y1232 HydrophobicContact CD2-CG 4.4Å; L879-Y1232 HydrophobicContact CG-CD2 4.36Å
880L92.3Very high87.3Confident2 Ų234.8 Ų34.81%0.0119%0.187CC..SBendtrans-96.5146.3171.1-63.7177.1000111.3F876 P877 W882 V884 L913 L916F876-L880 HydrophobicContact CD1-CD1 4.24Å; F876-L880 HydrophobicContact CE1-CD1 3.76Å; F876-L880 HydrophobicContact CZ-CD1 4.08Å; F876-L880 HydrophobicContact CZ-CD2 4.43Å; P877-L880 PolarHBondContact O-N 3.44Å; L880-W882 VanDerWaalsContact C-N 3.32Å; L880-W882 HydrophobicContact CD2-CZ2 4.39Å; L880-V884 HydrophobicContact CD1-CG1 3.62Å; L880-V884 HydrophobicContact CD1-CG2 4.07Å; L880-L913 HydrophobicContact CD2-CD1 3.99Å; L880-L916 HydrophobicContact CD2-CB 4.41Å; L880-L916 HydrophobicContact CD2-CD1 3.98Å
881P89.1Confident87.7Confident35 Ų3530.5 Ų30.523%0.22716%0.164CC..SBendtrans-78.7-17.9178.130.1-32.4000112.8L917 Y1223 L1228P881-L917 HydrophobicContact CG-CD2 4.21Å; P881-Y1223 HydrophobicContact CB-CD1 3.46Å; P881-Y1223 VanDerWaalsContact CB-CD1 3.46Å; P881-Y1223 HydrophobicContact CB-CE1 3.5Å; P881-Y1223 VanDerWaalsContact CB-CE1 3.5Å; P881-Y1223 HydrophobicContact CB-CG 4.04Å; P881-Y1223 HydrophobicContact CG-CD1 3.61Å; P881-Y1223 HydrophobicContact CG-CD2 3.85Å; P881-Y1223 HydrophobicContact CG-CE1 3.65Å; P881-Y1223 HydrophobicContact CG-CE2 3.91Å; P881-Y1223 HydrophobicContact CG-CG 3.7Å; P881-L1228 HydrophobicContact CB-CD2 4.15Å
882W88.8Confident88Confident20 Ų2030.4 Ų30.48%0.07616%0.163CC..SBendtrans-108.8153.3177.837.981.7000112L880 M1110 Y1223L880-W882 VanDerWaalsContact C-N 3.32Å; L880-W882 HydrophobicContact CD2-CZ2 4.39Å; W882-M1110 HydrophobicContact CB-CB 4.02Å; W882-M1110 HydrophobicContact CB-CG 4.41Å; W882-M1110 WeakPolarHBondContact CB-O 3.38Å; W882-M1110 HydrophobicContact CD2-CE 3.64Å; W882-M1110 HydrophobicContact CE3-CE 4Å; W882-M1110 HydrophobicContact CG-CB 4.14Å; W882-M1110 HydrophobicContact CG-CE 3.93Å; W882-M1110 HydrophobicContact CG-CG 4.06Å; W882-M1110 HydrophobicContact CZ2-CE 4.27Å; W882-M1110 HydrophobicContact CZ3-CE 4.48Å; W882-Y1223 HydrophobicContact CE3-CE2 4.37Å; W882-Y1223 HydrophobicContact CH2-CD2 4.26Å; W882-Y1223 AromaticContact CH2-CE2 3.86Å; W882-Y1223 HydrophobicContact CH2-CE2 3.86Å; W882-Y1223 HydrophobicContact CZ3-CD2 4.11Å; W882-Y1223 AromaticContact CZ3-CE2 3.34Å; W882-Y1223 HydrophobicContact CZ3-CE2 3.34Å; W882-Y1223 AromaticContact CZ3-CZ 3.6Å
883P87.1Confident88Confident64 Ų6431.1 Ų31.142%0.41617%0.166SC..  trans-60.8151.5164.525.3-30.7000111.2D1109 M1110P883-D1109 WeakPolarHBondContact CG-O 3.28Å; P883-M1110 WeakPolarHBondContact CD-O 3.45Å; P883-M1110 WeakPolarHBondContact O-CA 3.49Å
884V86Confident88Confident29 Ų2933.1 Ų33.118%0.17617%0.169CC..  trans-143.9150.8175.7-67.80000110P877 L880 F888 I889P877-V884 HydrophobicContact CB-CG2 3.62Å; L880-V884 HydrophobicContact CD1-CG1 3.62Å; L880-V884 HydrophobicContact CD1-CG2 4.07Å; V884-F888 HydrophobicContact CB-CD1 3.88Å; V884-F888 HydrophobicContact CG1-CD1 3.74Å; V884-F888 HydrophobicContact CG1-CE1 4.06Å; V884-I889 HydrophobicContact CG2-CD1 4.08Å; V884-I889 HydrophobicContact CG2-CG1 3.95Å
885T87.9Confident88Confident45 Ų4529.9 Ų29.928%0.27616%0.155SC..  trans-84.4157.1176.857.90000112I887 F888 I889 D1109T885-I887 PolarHBondContact O-N 3.32Å; T885-F888 PolarHBondContact O-N 3.06Å; T885-F888 VanDerWaalsContact O-N 3.08Å; T885-F888 PolarHBondContact OG1-N 2.95Å; T885-I889 WeakPolarHBondContact O-CG1 3.37Å; T885-I889 PolarHBondContact O-N 3.33Å; T885-I889 VanDerWaalsContact O-N 3.16Å; T885-D1109 HydrophobicContact CG2-CB 4.03Å; T885-D1109 WeakPolarHBondContact CG2-OD2 3.37Å
886N83.9Confident87.8Confident120 Ų12030 Ų3064%0.64216%0.156SC*.Hα-helixtrans-58.6-31.6174.6-70.9-18.6000112.5I889 I890N886-I889 PolarHBondContact O-N 3.35Å; N886-I890 PolarHBondContact O-N 3.09Å
887I84.7Confident87.2Confident47 Ų4730.5 Ų30.524%0.24116%0.158CC..Hα-helixtrans-64.7-41.5176.3-61.2173.9000110.9T885 I890 R891 D941T885-I887 PolarHBondContact O-N 3.32Å; I887-I890 VanDerWaalsContact O-CG2 3.25Å; I887-I890 WeakPolarHBondContact O-CG2 3.43Å; I887-R891 WeakPolarHBondContact O-CB 3.34Å; I887-R891 VanDerWaalsContact O-CG 3.26Å; I887-R891 WeakPolarHBondContact O-CG 3.3Å; I887-R891 PolarHBondContact O-N 3.13Å; I887-R891 VanDerWaalsContact O-N 3.16Å; I887-D941 HydrophobicContact CG2-CB 4.36Å
888F87.9Confident86.2Confident2 Ų231.5 Ų31.51%0.00916%0.161CC..Hα-helixtrans-65-43.5174.4178.1-108.5000111.3F876 V884 T885 I890 R891 V892 F928 C931 T1106F876-F888 HydrophobicContact CE1-CE1 4.14Å; V884-F888 HydrophobicContact CB-CD1 3.88Å; V884-F888 HydrophobicContact CG1-CD1 3.74Å; V884-F888 HydrophobicContact CG1-CE1 4.06Å; T885-F888 PolarHBondContact O-N 3.06Å; T885-F888 VanDerWaalsContact O-N 3.08Å; T885-F888 PolarHBondContact OG1-N 2.95Å; F888-I890 PolarHBondContact O-N 3.11Å; F888-R891 PolarHBondContact O-N 3.49Å; F888-V892 HydrophobicContact CD1-CG2 4.22Å; F888-V892 HydrophobicContact CD2-CG2 4.26Å; F888-V892 HydrophobicContact CE1-CG2 3.75Å; F888-V892 HydrophobicContact CE2-CG2 3.77Å; F888-V892 HydrophobicContact CG-CG2 4.47Å; F888-V892 HydrophobicContact CZ-CG2 3.5Å; F888-V892 WeakPolarHBondContact O-CG2 3.46Å; F888-V892 PolarHBondContact O-N 3.49Å; F888-F928 HydrophobicContact CD2-CD1 4.49Å; F888-F928 HydrophobicContact CE1-CE1 4.26Å; F888-F928 AromaticContact CE2-CD1 3.52Å; F888-F928 HydrophobicContact CE2-CD1 3.52Å; F888-F928 AromaticContact CE2-CE1 3.6Å; F888-F928 HydrophobicContact CE2-CE1 3.6Å; F888-F928 AromaticContact CZ-CD1 3.78Å; F888-F928 HydrophobicContact CZ-CD1 3.78Å; F888-F928 AromaticContact CZ-CE1 3.4Å; F888-F928 HydrophobicContact CZ-CE1 3.4Å; F888-F928 VanDerWaalsContact CZ-CE1 3.4Å; F888-F928 HydrophobicContact CZ-CZ 4.42Å; F888-C931 HydrophobicContact CE2-CB 4.36Å; F888-T1106 HydrophobicContact CB-CG2 4.4Å; F888-T1106 HydrophobicContact CD2-CG2 3.63Å; F888-T1106 HydrophobicContact CE2-CG2 4.14Å; F888-T1106 HydrophobicContact CG-CG2 4.07Å
889I88.4Confident85Confident4 Ų431.2 Ų31.22%0.02117%0.171CC..Hα-helixtrans-59.7-46.4-179.9-61168.6000111.2Y869 F872 P877 V884 T885 N886 R891 V892 F893Y869-I889 HydrophobicContact CE2-CG2 4.26Å; F872-I889 HydrophobicContact CD1-CG2 3.92Å; F872-I889 HydrophobicContact CE1-CG2 3.91Å; P877-I889 HydrophobicContact CB-CD1 3.86Å; P877-I889 HydrophobicContact CG-CD1 3.81Å; V884-I889 HydrophobicContact CG2-CD1 4.08Å; V884-I889 HydrophobicContact CG2-CG1 3.95Å; T885-I889 WeakPolarHBondContact O-CG1 3.37Å; T885-I889 PolarHBondContact O-N 3.33Å; T885-I889 VanDerWaalsContact O-N 3.16Å; N886-I889 PolarHBondContact O-N 3.35Å; I889-R891 PolarHBondContact O-N 2.54Å; I889-V892 PolarHBondContact O-N 3.42Å; I889-F893 PolarHBondContact O-N 3.34Å
890I85.8Confident83.7Confident44 Ų4437.6 Ų37.623%0.22621%0.206CC..Hα-helixtrans-66.6-36.2179.2-161.9168.1000112.4Y869 N886 I887 F888 F893 R894Y869-I890 HydrophobicContact CD2-CG1 4.42Å; Y869-I890 HydrophobicContact CE2-CB 3.77Å; Y869-I890 HydrophobicContact CE2-CD1 4.43Å; Y869-I890 HydrophobicContact CE2-CG1 3.82Å; N886-I890 PolarHBondContact O-N 3.09Å; I887-I890 VanDerWaalsContact O-CG2 3.25Å; I887-I890 WeakPolarHBondContact O-CG2 3.43Å; F888-I890 PolarHBondContact O-N 3.11Å; I890-F893 PolarHBondContact O-N 2.62Å; I890-R894 WeakPolarHBondContact O-CB 3.21Å; I890-R894 VanDerWaalsContact O-CG 3.3Å; I890-R894 WeakPolarHBondContact O-CG 3.38Å; I890-R894 PolarHBondContact O-N 3.06Å
891R88Confident82.5Confident1 Ų140.9 Ų40.90%0.00422%0.223CC..Hα-helixtrans-65.5-43.2175.2-74172.6179.9166.17.7111.7I887 F888 I889 R894 L895 C931 H932 A936 F937 D941I887-R891 WeakPolarHBondContact O-CB 3.34Å; I887-R891 VanDerWaalsContact O-CG 3.26Å; I887-R891 WeakPolarHBondContact O-CG 3.3Å; I887-R891 PolarHBondContact O-N 3.13Å; I887-R891 VanDerWaalsContact O-N 3.16Å; F888-R891 PolarHBondContact O-N 3.49Å; I889-R891 PolarHBondContact O-N 2.54Å; R891-R894 PolarHBondContact O-N 3.3Å; R891-L895 WeakPolarHBondContact O-CB 3.38Å; R891-L895 PolarHBondContact O-N 3.02Å; R891-C931 HydrophobicContact CB-CB 4.23Å; R891-C931 WeakPolarHBondContact CD-O 3.42Å; R891-H932 PolarHBondContact NH1-CD2 3.09Å; R891-H932 PolarHBondContact NH1-NE2 3.46Å; R891-H932 VanDerWaalsContact NH1-NE2 3.12Å; R891-A936 WeakPolarHBondContact O-CB 3.39Å; R891-F937 VanDerWaalsContact CZ-CD2 3.47Å; R891-F937 VanDerWaalsContact NH2-CE2 3.27Å; R891-D941 IonicContact CZ-OD2 2.72Å; R891-D941 IonicContact NE-OD2 3.5Å; R891-D941 PolarHBondContact NE-OD2 2.91Å; R891-D941 IonicContact NH2-OD2 3.73Å; R891-D941 PolarHBondContact NH2-OD2 2.78Å
892V89.1Confident81.8Confident0 Ų040.8 Ų40.80%023%0.228CC..Hα-helixtrans-60.8-47.2173.6177.20000109.9F872 F876 F888 I889 R894 L895 L896F872-V892 HydrophobicContact CE1-CB 4.44Å; F872-V892 HydrophobicContact CE1-CG1 4.3Å; F872-V892 HydrophobicContact CZ-CB 4.36Å; F872-V892 HydrophobicContact CZ-CG1 3.74Å; F876-V892 HydrophobicContact CE1-CB 4.43Å; F876-V892 HydrophobicContact CE1-CG1 4.25Å; F876-V892 HydrophobicContact CE1-CG2 4.28Å; F876-V892 HydrophobicContact CE2-CG1 4.44Å; F876-V892 HydrophobicContact CZ-CG1 3.94Å; F876-V892 HydrophobicContact CZ-CG2 4.36Å; F888-V892 HydrophobicContact CD1-CG2 4.22Å; F888-V892 HydrophobicContact CD2-CG2 4.26Å; F888-V892 HydrophobicContact CE1-CG2 3.75Å; F888-V892 HydrophobicContact CE2-CG2 3.77Å; F888-V892 HydrophobicContact CG-CG2 4.47Å; F888-V892 HydrophobicContact CZ-CG2 3.5Å; F888-V892 WeakPolarHBondContact O-CG2 3.46Å; F888-V892 PolarHBondContact O-N 3.49Å; I889-V892 PolarHBondContact O-N 3.42Å; V892-R894 PolarHBondContact O-N 2.89Å; V892-L895 WeakPolarHBondContact O-CB 3.1Å; V892-L895 PolarHBondContact O-N 3.37Å; V892-L895 VanDerWaalsContact O-N 3.12Å; V892-L896 HydrophobicContact CG1-CD1 4.07Å; V892-L896 HydrophobicContact CG1-CG 4.39Å; V892-L896 VanDerWaalsContact O-CG 3.31Å; V892-L896 WeakPolarHBondContact O-CG 3.48Å; V892-L896 PolarHBondContact O-N 2.86Å; V892-L896 VanDerWaalsContact O-N 3.09Å
893F86.9Confident81.3Confident14 Ų1441.4 Ų41.46%0.06123%0.233CC..Hα-helixtrans-57.2-50178.3-174-88.3000112.3Y869 F872 I889 I890 L895 L896 D897 G902 L904Y869-F893 VanDerWaalsContact CA-CE2 3.5Å; Y869-F893 HydrophobicContact CD2-CB 3.99Å; Y869-F893 HydrophobicContact CD2-CD1 4.15Å; Y869-F893 HydrophobicContact CD2-CD2 4.13Å; Y869-F893 AromaticContact CD2-CG 3.82Å; Y869-F893 HydrophobicContact CD2-CG 3.82Å; Y869-F893 HydrophobicContact CE2-CB 4.43Å; F872-F893 HydrophobicContact CB-CD2 3.8Å; F872-F893 HydrophobicContact CB-CE2 4.09Å; F872-F893 HydrophobicContact CD1-CB 4.05Å; F872-F893 AromaticContact CD1-CD2 3.8Å; F872-F893 HydrophobicContact CD1-CD2 3.8Å; F872-F893 HydrophobicContact CD1-CG 4.42Å; F872-F893 HydrophobicContact CD2-CD2 4.44Å; F872-F893 HydrophobicContact CE1-CB 4.12Å; F872-F893 AromaticContact CG-CD2 3.76Å; F872-F893 HydrophobicContact CG-CD2 3.76Å; F872-F893 HydrophobicContact CG-CE2 4.47Å; I889-F893 PolarHBondContact O-N 3.34Å; I890-F893 PolarHBondContact O-N 2.62Å; F893-L895 VanDerWaalsContact C-N 3.27Å; F893-L895 PolarHBondContact O-N 2.9Å; F893-L896 PolarHBondContact O-N 2.67Å; F893-L896 VanDerWaalsContact O-N 3.11Å; F893-D897 HydrophobicContact CE1-CB 4.48Å; F893-D897 PolarHBondContact O-N 3.04Å; F893-G902 WeakPolarHBondContact CZ-O 2.78Å; F893-L904 HydrophobicContact CD2-CD1 3.41Å; F893-L904 VanDerWaalsContact CD2-CD1 3.41Å; F893-L904 HydrophobicContact CD2-CG 3.89Å; F893-L904 HydrophobicContact CE2-CD1 3.64Å; F893-L904 HydrophobicContact CE2-CD2 4.47Å; F893-L904 HydrophobicContact CE2-CG 3.59Å; F893-L904 HydrophobicContact CG-CD1 4.2Å; F893-L904 HydrophobicContact CZ-CG 4.16Å
894R84.1Confident81Confident71 Ų7138.4 Ų38.427%0.26821%0.213SC..Hα-helixtrans-62-31.9176.3-71.4172.7-178.6160.62.2112.8I890 R891 V892 L896 A936 D941 R1073I890-R894 WeakPolarHBondContact O-CB 3.21Å; I890-R894 VanDerWaalsContact O-CG 3.3Å; I890-R894 WeakPolarHBondContact O-CG 3.38Å; I890-R894 PolarHBondContact O-N 3.06Å; R891-R894 PolarHBondContact O-N 3.3Å; V892-R894 PolarHBondContact O-N 2.89Å; R894-L896 VanDerWaalsContact C-N 3.32Å; R894-A936 WeakPolarHBondContact CD-O 3.41Å; R894-D941 IonicContact CZ-OD1 3.01Å; R894-D941 IonicContact NH1-OD1 2.6Å; R894-D941 PolarHBondContact NH1-OD1 3.41Å; R894-D941 IonicContact NH1-OD2 3.75Å; R894-D941 IonicContact NH2-OD1 2.74Å; R894-R1073 VanDerWaalsContact O-CZ 3.29Å; R894-R1073 PolarHBondContact O-NH2 3.21Å
895L84.7Confident80.9Confident14 Ų1438 Ų387%0.07321%0.211CC..Hα-helixtrans-66.7-38.4176.1-178.163.5000110.9R891 V892 F893 L927 K930 A936 R1073R891-L895 WeakPolarHBondContact O-CB 3.38Å; R891-L895 PolarHBondContact O-N 3.02Å; V892-L895 WeakPolarHBondContact O-CB 3.1Å; V892-L895 PolarHBondContact O-N 3.37Å; V892-L895 VanDerWaalsContact O-N 3.12Å; F893-L895 VanDerWaalsContact C-N 3.27Å; F893-L895 PolarHBondContact O-N 2.9Å; L895-L927 HydrophobicContact CD2-CD1 3.85Å; L895-K930 HydrophobicContact CD1-CB 4.14Å; L895-K930 HydrophobicContact CD2-CB 3.87Å; L895-A936 HydrophobicContact CB-CB 4.02Å; L895-A936 HydrophobicContact CD1-CB 4.45Å; L895-R1073 WeakPolarHBondContact O-CD 3.48Å
896L83.4Confident80.9Confident4 Ų436 Ų362%0.02120%0.199CC..Hα-helixtrans-84-27.1-176.2-59.6-174000113.9F872 V892 F893 R894 I898 L904 D908 N912 L1077F872-L896 HydrophobicContact CE2-CD1 4.49Å; V892-L896 HydrophobicContact CG1-CD1 4.07Å; V892-L896 HydrophobicContact CG1-CG 4.39Å; V892-L896 VanDerWaalsContact O-CG 3.31Å; V892-L896 WeakPolarHBondContact O-CG 3.48Å; V892-L896 PolarHBondContact O-N 2.86Å; V892-L896 VanDerWaalsContact O-N 3.09Å; F893-L896 PolarHBondContact O-N 2.67Å; F893-L896 VanDerWaalsContact O-N 3.11Å; R894-L896 VanDerWaalsContact C-N 3.32Å; L896-I898 VanDerWaalsContact C-N 3.26Å; L896-I898 PolarHBondContact O-N 3.37Å; L896-L904 VanDerWaalsContact C-CD2 3.42Å; L896-L904 HydrophobicContact CB-CD1 3.93Å; L896-L904 HydrophobicContact CB-CD2 3.56Å; L896-L904 HydrophobicContact CB-CG 4.39Å; L896-L904 HydrophobicContact CD1-CD1 4.15Å; L896-D908 HydrophobicContact CB-CB 4.47Å; L896-D908 HydrophobicContact CD1-CB 4.46Å; L896-N912 HydrophobicContact CD1-CB 4.21Å; L896-N912 HydrophobicContact CD2-CB 4.5Å; L896-N912 VanDerWaalsContact CD2-CG 3.42Å; L896-N912 WeakPolarHBondContact CD2-ND2 3.19Å; L896-L1077 HydrophobicContact CD2-CD2 4.21Å
897D79.1Confident81Confident10 Ų1033 Ų335%0.05318%0.179CC..  trans-77.377.4176.5-172.17.9000110.9F893 S899 D900 N901 G902 L904 R1073F893-D897 HydrophobicContact CE1-CB 4.48Å; F893-D897 PolarHBondContact O-N 3.04Å; D897-S899 VanDerWaalsContact C-N 3.29Å; D897-S899 PolarHBondContact OD1-N 2.8Å; D897-S899 PolarHBondContact OD1-OG 3.11Å; D897-S899 VanDerWaalsContact OD1-OG 3.11Å; D897-D900 WeakPolarHBondContact OD1-CA 3.48Å; D897-D900 PolarHBondContact OD1-N 3.33Å; D897-D900 WeakPolarHBondContact OD2-CA 3.09Å; D897-N901 PolarHBondContact OD1-N 2.91Å; D897-N901 PolarHBondContact OD1-OD1 3.39Å; D897-N901 PolarHBondContact OD2-N 3.46Å; D897-G902 VanDerWaalsContact OD2-CA 3.26Å; D897-G902 WeakPolarHBondContact OD2-CA 3.44Å; D897-G902 PolarHBondContact OD2-N 3.05Å; D897-L904 HydrophobicContact CB-CD2 3.89Å; D897-R1073 PolarHBondContact O-NH1 3.15Å
898I69.8Low81.1Confident54 Ų5431.9 Ų31.928%0.27717%0.173SC..SBendtrans-66.5-35.9178-46.5-174000110.8L896 D900 R1073 L1077L896-I898 VanDerWaalsContact C-N 3.26Å; L896-I898 PolarHBondContact O-N 3.37Å; I898-D900 VanDerWaalsContact C-N 3.32Å; I898-R1073 HydrophobicContact CD1-CG 4.43Å; I898-R1073 HydrophobicContact CG1-CG 3.96Å; I898-R1073 HydrophobicContact CG2-CB 4.5Å; I898-R1073 HydrophobicContact CG2-CG 4.4Å; I898-L1077 HydrophobicContact CD1-CD1 4.06Å; I898-L1077 HydrophobicContact CD1-CD2 4.47Å
899S64.3Low81.2Confident75 Ų7531.9 Ų31.952%0.52417%0.173SC..SBendtrans-75.6-15.9-177.538.50000114.6D897 N901D897-S899 VanDerWaalsContact C-N 3.29Å; D897-S899 PolarHBondContact OD1-N 2.8Å; D897-S899 PolarHBondContact OD1-OG 3.11Å; D897-S899 VanDerWaalsContact OD1-OG 3.11Å; S899-N901 PolarHBondContact O-N 3.31Å; S899-N901 PolarHBondContact OG-ND2 3.26Å; S899-N901 PolarHBondContact OG-OD1 3.16Å; S899-N901 VanDerWaalsContact OG-OD1 3.09Å
900D65.7Low81.3Confident134 Ų13431.7 Ų31.772%0.71717%0.172SC*.SBendtrans55.336.3-174.9-156.731.9000112.1D897 I898D897-D900 WeakPolarHBondContact OD1-CA 3.48Å; D897-D900 PolarHBondContact OD1-N 3.33Å; D897-D900 WeakPolarHBondContact OD2-CA 3.09Å; I898-D900 VanDerWaalsContact C-N 3.32Å
901N67.5Low81.4Confident72 Ų7230.5 Ų30.539%0.38517%0.166SC..SBendtrans-105.22.3-179.567.17.6000112.4R866 D897 S899 L903R866-N901 PolarHBondContact NH1-ND2 3.48Å; D897-N901 PolarHBondContact OD1-N 2.91Å; D897-N901 PolarHBondContact OD1-OD1 3.39Å; D897-N901 PolarHBondContact OD2-N 3.46Å; S899-N901 PolarHBondContact O-N 3.31Å; S899-N901 PolarHBondContact OG-ND2 3.26Å; S899-N901 PolarHBondContact OG-OD1 3.16Å; S899-N901 VanDerWaalsContact OG-OD1 3.09Å; N901-L903 VanDerWaalsContact C-N 3.3Å; N901-L903 PolarHBondContact O-N 3.47Å; N901-L903 PolarHBondContact OD1-N 2.87Å; N901-L903 PolarHBondContact OD1-O 3.26Å; N901-L903 VanDerWaalsContact OD1-O 3.13Å
902G73.9Confident81.4Confident32 Ų3230.8 Ų30.833%0.3317%0.168SC..SBendtrans72.617.2-179.200000114.3F893 D897F893-G902 WeakPolarHBondContact CZ-O 2.78Å; D897-G902 VanDerWaalsContact OD2-CA 3.26Å; D897-G902 WeakPolarHBondContact OD2-CA 3.44Å; D897-G902 PolarHBondContact OD2-N 3.05Å
903L78.4Confident81.6Confident34 Ų3430.8 Ų30.818%0.17817%0.168CC..  trans-137.2124.8-173.3-63.1170.7000112.3P855 R866 D868 N901P855-L903 HydrophobicContact CB-CD1 4.01Å; P855-L903 HydrophobicContact CG-CD1 3.81Å; R866-L903 HydrophobicContact CB-CB 4.21Å; R866-L903 HydrophobicContact CB-CD2 4.2Å; D868-L903 HydrophobicContact CB-CD2 4.15Å; N901-L903 VanDerWaalsContact C-N 3.3Å; N901-L903 PolarHBondContact O-N 3.47Å; N901-L903 PolarHBondContact OD1-N 2.87Å; N901-L903 PolarHBondContact OD1-O 3.26Å; N901-L903 VanDerWaalsContact OD1-O 3.13Å
904L81.6Confident81.9Confident0 Ų030.1 Ų30.10%017%0.165CC..BIsolated β-bridgetrans-99.1148.9175.2-55.4-177.2000111.9R866 L867 F872 F893 L896 D897R866-L904 CarbonylContact C-O 3.54Å; R866-L904 WeakPolarHBondContact CA-O 3.2Å; L867-L904 HydrophobicContact CB-CB 4.33Å; L867-L904 PolarHBondContact N-O 3.45Å; L867-L904 PolarHBondContact O-N 3.21Å; F872-L904 HydrophobicContact CD2-CD1 3.76Å; F872-L904 HydrophobicContact CE2-CD1 3.96Å; F872-L904 HydrophobicContact CG-CD1 4.26Å; F893-L904 HydrophobicContact CD2-CD1 3.41Å; F893-L904 VanDerWaalsContact CD2-CD1 3.41Å; F893-L904 HydrophobicContact CD2-CG 3.89Å; F893-L904 HydrophobicContact CE2-CD1 3.64Å; F893-L904 HydrophobicContact CE2-CD2 4.47Å; F893-L904 HydrophobicContact CE2-CG 3.59Å; F893-L904 HydrophobicContact CG-CD1 4.2Å; F893-L904 HydrophobicContact CZ-CG 4.16Å; L896-L904 VanDerWaalsContact C-CD2 3.42Å; L896-L904 HydrophobicContact CB-CD1 3.93Å; L896-L904 HydrophobicContact CB-CD2 3.56Å; L896-L904 HydrophobicContact CB-CG 4.39Å; L896-L904 HydrophobicContact CD1-CD1 4.15Å; D897-L904 HydrophobicContact CB-CD2 3.89Å
905T84.8Confident82.1Confident22 Ų2228.1 Ų28.114%0.13516%0.159CC..  trans-87.7162.3172.871.30000111.6R907 D908 L909T905-R907 PolarHBondContact O-N 3Å; T905-R907 PolarHBondContact OG1-N 3.39Å; T905-D908 WeakPolarHBondContact CB-OD2 3.4Å; T905-D908 PolarHBondContact N-OD2 3.41Å; T905-D908 PolarHBondContact O-N 2.63Å; T905-D908 VanDerWaalsContact O-N 3.16Å; T905-D908 PolarHBondContact OG1-N 3.36Å; T905-D908 PolarHBondContact OG1-OD2 2.93Å; T905-L909 PolarHBondContact O-N 3.41Å
906F87.4Confident82.5Confident2 Ų227.5 Ų27.51%0.00916%0.156CC..Hα-helixtrans-58.2-32.7171179.8-105.5000112.4I806 I810 L821 L824 Y825 V828 L909 A910I806-F906 HydrophobicContact CG2-CD1 3.78Å; I810-F906 HydrophobicContact CD1-CD1 3.5Å; I810-F906 VanDerWaalsContact CD1-CD1 3.5Å; I810-F906 HydrophobicContact CD1-CE1 3.83Å; L821-F906 HydrophobicContact CD2-CE1 4.44Å; L824-F906 HydrophobicContact CB-CE2 4.35Å; L824-F906 HydrophobicContact CB-CZ 4.22Å; L824-F906 HydrophobicContact CD2-CE2 4.21Å; L824-F906 HydrophobicContact CD2-CZ 4.18Å; L824-F906 HydrophobicContact CG-CE2 3.87Å; L824-F906 HydrophobicContact CG-CZ 4.08Å; Y825-F906 AromaticContact CD2-CD1 3.94Å; Y825-F906 HydrophobicContact CD2-CD1 3.94Å; Y825-F906 HydrophobicContact CD2-CD2 4.04Å; Y825-F906 HydrophobicContact CD2-CE1 4.05Å; Y825-F906 HydrophobicContact CD2-CE2 4.14Å; Y825-F906 AromaticContact CD2-CG 3.94Å; Y825-F906 HydrophobicContact CD2-CG 3.94Å; Y825-F906 HydrophobicContact CD2-CZ 4.16Å; Y825-F906 HydrophobicContact CG-CE2 4.46Å; Y825-F906 HydrophobicContact CG-CZ 4.42Å; V828-F906 HydrophobicContact CB-CD2 4.46Å; V828-F906 HydrophobicContact CG2-CD2 4.14Å; V828-F906 HydrophobicContact CG2-CE2 4.18Å; F906-L909 PolarHBondContact O-N 2.85Å; F906-A910 HydrophobicContact CE1-CB 4.2Å; F906-A910 HydrophobicContact CZ-CB 4.31Å; F906-A910 VanDerWaalsContact O-CB 3.27Å; F906-A910 WeakPolarHBondContact O-CB 3.37Å; F906-A910 PolarHBondContact O-N 2.94Å
907R86.1Confident82.9Confident58 Ų5827.3 Ų27.322%0.21916%0.155CC..Hα-helixtrans-61.5-45.1176.1177.4170.5-169.8-84.5-0.1111.4I810 D813 T905 L909 A910 I911I810-R907 HydrophobicContact CD1-CB 3.95Å; I810-R907 HydrophobicContact CD1-CG 4.49Å; I810-R907 HydrophobicContact CG1-CB 3.91Å; I810-R907 HydrophobicContact CG1-CG 3.96Å; D813-R907 IonicContact OD2-CZ 3.9Å; D813-R907 IonicContact OD2-NE 2.92Å; D813-R907 IonicContact OD2-NH2 3.69Å; D813-R907 PolarHBondContact OD2-NH2 2.93Å; T905-R907 PolarHBondContact O-N 3Å; T905-R907 PolarHBondContact OG1-N 3.39Å; R907-L909 PolarHBondContact O-N 2.89Å; R907-A910 PolarHBondContact O-N 3.44Å; R907-I911 HydrophobicContact CG-CD1 3.61Å; R907-I911 HydrophobicContact CG-CG1 4.31Å; R907-I911 WeakPolarHBondContact O-CB 3.23Å; R907-I911 WeakPolarHBondContact O-CG1 3.29Å; R907-I911 PolarHBondContact O-N 3.25Å
908D85.9Confident83.5Confident23 Ų2330 Ų3012%0.12316%0.164CC..Hα-helixtrans-62.4-44.5-179.1-55.2-44.5000110.8L896 T905 N912L896-D908 HydrophobicContact CB-CB 4.47Å; L896-D908 HydrophobicContact CD1-CB 4.46Å; T905-D908 WeakPolarHBondContact CB-OD2 3.4Å; T905-D908 PolarHBondContact N-OD2 3.41Å; T905-D908 PolarHBondContact O-N 2.63Å; T905-D908 VanDerWaalsContact O-N 3.16Å; T905-D908 PolarHBondContact OG1-N 3.36Å; T905-D908 PolarHBondContact OG1-OD2 2.93Å; D908-N912 WeakPolarHBondContact O-CB 3.4Å; D908-N912 PolarHBondContact O-N 2.91Å; D908-N912 PolarHBondContact O-ND2 3.04Å
909L90Very high84.3Confident1 Ų127.4 Ų27.41%0.00515%0.151CC..Hα-helixtrans-62.5-51.4174.4178.269000111.8V828 L867 F872 F876 T905 F906 R907 N912 L913V828-L909 HydrophobicContact CG2-CD2 3.47Å; V828-L909 VanDerWaalsContact CG2-CD2 3.47Å; L867-L909 HydrophobicContact CD2-CD2 3.92Å; F872-L909 HydrophobicContact CD2-CD1 4.23Å; F872-L909 HydrophobicContact CE2-CD1 3.82Å; F876-L909 HydrophobicContact CD2-CD1 3.86Å; T905-L909 PolarHBondContact O-N 3.41Å; F906-L909 PolarHBondContact O-N 2.85Å; R907-L909 PolarHBondContact O-N 2.89Å; L909-N912 PolarHBondContact O-N 3.15Å; L909-L913 VanDerWaalsContact O-CB 3.23Å; L909-L913 WeakPolarHBondContact O-CB 3.3Å; L909-L913 PolarHBondContact O-N 2.87Å
910A90.7Very high85.5Confident0 Ų029.2 Ų29.20%015%0.151CC..Hα-helixtrans-63.8-45.5-172.200000112.5I810 L821 L824 F906 R907 S914I810-A910 HydrophobicContact CG2-CB 4.45Å; L821-A910 HydrophobicContact CD2-CB 3.9Å; L824-A910 HydrophobicContact CD2-CB 4.18Å; F906-A910 HydrophobicContact CE1-CB 4.2Å; F906-A910 HydrophobicContact CZ-CB 4.31Å; F906-A910 VanDerWaalsContact O-CB 3.27Å; F906-A910 WeakPolarHBondContact O-CB 3.37Å; F906-A910 PolarHBondContact O-N 2.94Å; R907-A910 PolarHBondContact O-N 3.44Å; A910-S914 WeakPolarHBondContact O-CB 3.31Å; A910-S914 PolarHBondContact O-N 3.39Å
911I87.3Confident86.5Confident20 Ų2022.9 Ų22.910%0.10312%0.117CC..Hα-helixtrans-63.3-48.7179.6-68.2175.3000110.1I810 D813 R907 S914 I915I810-I911 HydrophobicContact CG2-CG1 4.4Å; D813-I911 HydrophobicContact CB-CD1 4.01Å; R907-I911 HydrophobicContact CG-CD1 3.61Å; R907-I911 HydrophobicContact CG-CG1 4.31Å; R907-I911 WeakPolarHBondContact O-CB 3.23Å; R907-I911 WeakPolarHBondContact O-CG1 3.29Å; R907-I911 PolarHBondContact O-N 3.25Å; I911-S914 WeakPolarHBondContact O-CB 3.32Å; I911-S914 PolarHBondContact O-N 3.42Å; I911-S914 VanDerWaalsContact O-N 3.14Å; I911-S914 PolarHBondContact O-OG 3.22Å; I911-I915 HydrophobicContact CG2-CD1 4.22Å; I911-I915 WeakPolarHBondContact O-CG1 3.11Å; I911-I915 PolarHBondContact O-N 3.35Å
912N89.2Confident87.4Confident7 Ų721.8 Ų21.84%0.03711%0.113CC..Hα-helixtrans-66.7-41.2-177.6-77.9-84.6000112.6L896 D908 L909 S914 I915 L916 L927L896-N912 HydrophobicContact CD1-CB 4.21Å; L896-N912 HydrophobicContact CD2-CB 4.5Å; L896-N912 VanDerWaalsContact CD2-CG 3.42Å; L896-N912 WeakPolarHBondContact CD2-ND2 3.19Å; D908-N912 WeakPolarHBondContact O-CB 3.4Å; D908-N912 PolarHBondContact O-N 2.91Å; D908-N912 PolarHBondContact O-ND2 3.04Å; L909-N912 PolarHBondContact O-N 3.15Å; N912-S914 VanDerWaalsContact C-N 3.27Å; N912-S914 PolarHBondContact O-N 2.91Å; N912-I915 PolarHBondContact O-N 3.18Å; N912-L916 PolarHBondContact O-N 2.95Å; N912-L927 WeakPolarHBondContact OD1-CD1 3.43Å
913L92.9Very high88Confident0 Ų022 Ų220%011%0.106CC..Hα-helixtrans-63.2-36.8173.9-169.564.7000111F816 L824 L879 L880 L909 I915 L916 L917 L1225F816-L913 HydrophobicContact CE2-CB 4.25Å; F816-L913 HydrophobicContact CE2-CD2 4.45Å; F816-L913 HydrophobicContact CE2-CG 4.32Å; F816-L913 HydrophobicContact CZ-CB 4.47Å; F816-L913 HydrophobicContact CZ-CG 4.21Å; L824-L913 HydrophobicContact CD1-CD2 3.92Å; L824-L913 HydrophobicContact CD2-CD2 4.03Å; L879-L913 HydrophobicContact CB-CD1 4.28Å; L879-L913 HydrophobicContact CB-CD2 4.11Å; L879-L913 HydrophobicContact CD1-CD2 4Å; L880-L913 HydrophobicContact CD2-CD1 3.99Å; L909-L913 VanDerWaalsContact O-CB 3.23Å; L909-L913 WeakPolarHBondContact O-CB 3.3Å; L909-L913 PolarHBondContact O-N 2.87Å; L913-I915 VanDerWaalsContact C-N 3.33Å; L913-I915 PolarHBondContact O-N 2.71Å; L913-L916 PolarHBondContact O-N 3.3Å; L913-L917 HydrophobicContact CD1-CD1 4.01Å; L913-L917 HydrophobicContact CD1-CG 4.06Å; L913-L917 HydrophobicContact CD2-CD1 4.41Å; L913-L917 HydrophobicContact CG-CD1 3.87Å; L913-L917 HydrophobicContact CG-CG 4.19Å; L913-L917 WeakPolarHBondContact O-CB 3.4Å; L913-L917 VanDerWaalsContact O-CG 3.3Å; L913-L917 WeakPolarHBondContact O-CG 3.45Å; L913-L917 PolarHBondContact O-N 2.98Å; L913-L1225 HydrophobicContact CD2-CD1 3.91Å
914S92.4Very high88.5Confident0 Ų020.5 Ų20.50%010%0.098CC..Hα-helixtrans-65.7-34.1176.886.70000113.4C814 A910 I911 N912 R918 G919C814-S914 VanDerWaalsContact SG-CB 3.52Å; A910-S914 WeakPolarHBondContact O-CB 3.31Å; A910-S914 PolarHBondContact O-N 3.39Å; I911-S914 WeakPolarHBondContact O-CB 3.32Å; I911-S914 PolarHBondContact O-N 3.42Å; I911-S914 VanDerWaalsContact O-N 3.14Å; I911-S914 PolarHBondContact O-OG 3.22Å; N912-S914 VanDerWaalsContact C-N 3.27Å; N912-S914 PolarHBondContact O-N 2.91Å; S914-R918 WeakPolarHBondContact O-CA 3.27Å; S914-R918 WeakPolarHBondContact O-CB 3.5Å; S914-R918 PolarHBondContact O-N 3.21Å; S914-G919 PolarHBondContact O-N 2.86Å
915I89.9Confident88.9Confident29 Ų2920.7 Ų20.715%0.14910%0.098CC..Hα-helixtrans-67.1-50.3173.4-66.3165.7000109.7I911 N912 L913 L917 G919 E923 K924 L927I911-I915 HydrophobicContact CG2-CD1 4.22Å; I911-I915 WeakPolarHBondContact O-CG1 3.11Å; I911-I915 PolarHBondContact O-N 3.35Å; N912-I915 PolarHBondContact O-N 3.18Å; L913-I915 VanDerWaalsContact C-N 3.33Å; L913-I915 PolarHBondContact O-N 2.71Å; I915-L917 VanDerWaalsContact C-N 3.33Å; I915-L917 PolarHBondContact O-N 3.31Å; I915-G919 VanDerWaalsContact O-CA 3.25Å; I915-G919 WeakPolarHBondContact O-CA 3.35Å; I915-G919 PolarHBondContact O-N 3.09Å; I915-E923 HydrophobicContact CG2-CB 3.93Å; I915-K924 WeakPolarHBondContact O-CE 3.49Å; I915-K924 WeakPolarHBondContact O-CG 3.36Å; I915-L927 HydrophobicContact CG2-CD2 4.46Å
916L91.4Very high89Confident1 Ų120.2 Ų20.21%0.00510%0.097CC..Hα-helixtrans-61.7-37.7-179.3-72.6172.8000113.1F876 L880 N912 L913 K924 L927 F928F876-L916 HydrophobicContact CE2-CD1 4.05Å; F876-L916 HydrophobicContact CZ-CD1 3.66Å; L880-L916 HydrophobicContact CD2-CB 4.41Å; L880-L916 HydrophobicContact CD2-CD1 3.98Å; N912-L916 PolarHBondContact O-N 2.95Å; L913-L916 PolarHBondContact O-N 3.3Å; L916-K924 WeakPolarHBondContact O-CE 3.39Å; L916-L927 HydrophobicContact CD1-CD2 4.13Å; L916-L927 HydrophobicContact CD2-CD2 3.75Å; L916-L927 HydrophobicContact CG-CD2 3.69Å; L916-F928 HydrophobicContact CD2-CE2 4.02Å; L916-F928 HydrophobicContact CD2-CZ 3.85Å
917L93.5Very high89Confident0 Ų020.6 Ų20.60%010%0.099CC..Hα-helixtrans-90.4-33.2-176.2-60.4-172.5000114.2F816 P881 L913 I915 K1222 Y1223 L1225 L1228F816-L917 HydrophobicContact CE1-CB 4.39Å; F816-L917 HydrophobicContact CE1-CD1 4.36Å; F816-L917 HydrophobicContact CZ-CB 4.37Å; F816-L917 HydrophobicContact CZ-CD1 3.99Å; P881-L917 HydrophobicContact CG-CD2 4.21Å; L913-L917 HydrophobicContact CD1-CD1 4.01Å; L913-L917 HydrophobicContact CD1-CG 4.06Å; L913-L917 HydrophobicContact CD2-CD1 4.41Å; L913-L917 HydrophobicContact CG-CD1 3.87Å; L913-L917 HydrophobicContact CG-CG 4.19Å; L913-L917 WeakPolarHBondContact O-CB 3.4Å; L913-L917 VanDerWaalsContact O-CG 3.3Å; L913-L917 WeakPolarHBondContact O-CG 3.45Å; L913-L917 PolarHBondContact O-N 2.98Å; I915-L917 VanDerWaalsContact C-N 3.33Å; I915-L917 PolarHBondContact O-N 3.31Å; L917-K1222 WeakPolarHBondContact O-CA 3.26Å; L917-Y1223 PolarHBondContact O-N 3.42Å; L917-L1225 HydrophobicContact CD1-CB 4.47Å; L917-L1225 HydrophobicContact CD1-CD1 3.85Å; L917-L1228 HydrophobicContact CD1-CD1 3.74Å; L917-L1228 HydrophobicContact CD2-CD1 3.77Å; L917-L1228 HydrophobicContact CG-CD1 4.43Å
918R91.1Very high89.3Confident66 Ų6618 Ų1825%0.2499%0.089CC..Hα-helixtrans-132.6-5.7-171-69.2-174.8170.9-174.5-4.3115.4R815 F816 E820 S914R815-R918 HydrophobicContact CB-CB 4.14Å; R815-R918 PolarHBondContact O-NH1 3.2Å; F816-R918 HydrophobicContact CE1-CG 4.34Å; E820-R918 IonicContact OE1-CZ 3.67Å; E820-R918 IonicContact OE1-NH1 3.25Å; E820-R918 IonicContact OE1-NH2 2.61Å; E820-R918 PolarHBondContact OE1-NH2 3.23Å; E820-R918 IonicContact OE2-CZ 3.72Å; E820-R918 IonicContact OE2-NH1 2.98Å; E820-R918 PolarHBondContact OE2-NH1 3.32Å; E820-R918 IonicContact OE2-NH2 3.28Å; E820-R918 PolarHBondContact OE2-NH2 3.41Å; S914-R918 WeakPolarHBondContact O-CA 3.27Å; S914-R918 WeakPolarHBondContact O-CB 3.5Å; S914-R918 PolarHBondContact O-N 3.21Å
919G86.9Confident89.4Confident0 Ų017 Ų170%08%0.084CC..SBendtrans-65.4165.9175.400000112.7S914 I915 E923 K924S914-G919 PolarHBondContact O-N 2.86Å; I915-G919 VanDerWaalsContact O-CA 3.25Å; I915-G919 WeakPolarHBondContact O-CA 3.35Å; I915-G919 PolarHBondContact O-N 3.09Å; G919-E923 VanDerWaalsContact CA-OE2 3.31Å; G919-E923 WeakPolarHBondContact CA-OE2 3.4Å; G919-K924 WeakPolarHBondContact O-CE 3.3Å; G919-K924 PolarHBondContact O-NZ 3.35Å
920E88.2Confident89.2Confident113 Ų11318.7 Ų18.753%0.5289%0.091SC..  trans-71.8158.4171-62.6-177176.800110.2T922 E923 K924E920-T922 PolarHBondContact O-N 3.5Å; E920-T922 VanDerWaalsContact O-N 3.15Å; E920-E923 HydrophobicContact CB-CG 4.42Å; E920-E923 PolarHBondContact N-OE2 3.03Å; E920-E923 PolarHBondContact O-N 3.36Å; E920-E923 VanDerWaalsContact O-N 3.09Å; E920-K924 PolarHBondContact O-N 3Å; E920-K924 VanDerWaalsContact O-N 3.15Å
921A87.4Confident89.1Confident1 Ų118.7 Ų18.71%0.0089%0.091CC..Hα-helixtrans-54.1-36.2178.700000112.6E923 K924 L925 M1210 F1219 E1220A921-E923 PolarHBondContact O-N 2.88Å; A921-K924 PolarHBondContact O-N 3.09Å; A921-L925 WeakPolarHBondContact O-CB 3.39Å; A921-L925 WeakPolarHBondContact O-CD1 3.43Å; A921-L925 VanDerWaalsContact O-CG 3.23Å; A921-L925 WeakPolarHBondContact O-CG 3.05Å; A921-L925 PolarHBondContact O-N 3.12Å; A921-M1210 HydrophobicContact CB-CE 4.16Å; A921-M1210 HydrophobicContact CB-SD 3.48Å; A921-M1210 WeakPolarHBondContact CB-SD 3.35Å; A921-F1219 HydrophobicContact CB-CB 3.71Å; A921-E1220 WeakPolarHBondContact CB-OE2 3.31Å; A921-E1220 PolarHBondContact N-OE2 2.91Å
922T86.8Confident89.2Confident48 Ų4817.7 Ų17.729%0.2949%0.086SC..Hα-helixtrans-60.9-43.6177.7530000112.8E920 A926 L1206E920-T922 PolarHBondContact O-N 3.5Å; E920-T922 VanDerWaalsContact O-N 3.15Å; T922-A926 VanDerWaalsContact O-CB 3.29Å; T922-A926 WeakPolarHBondContact O-CB 3.42Å; T922-A926 PolarHBondContact O-N 3.04Å; T922-L1206 HydrophobicContact CG2-CD2 4.33Å
923E85.7Confident88.9Confident37 Ų3717.8 Ų17.817%0.1739%0.086CC..Hα-helixtrans-71.7-40.6-178.9-57.2-179113.300111.6R815 I915 G919 E920 A921 A926 L927R815-E923 IonicContact CZ-OE1 2.63Å; R815-E923 IonicContact CZ-OE2 2.87Å; R815-E923 VanDerWaalsContact CZ-OE2 3.23Å; R815-E923 IonicContact NE-OE2 2.72Å; R815-E923 IonicContact NH1-OE1 3.23Å; R815-E923 IonicContact NH1-OE2 3.99Å; R815-E923 IonicContact NH2-OE1 3.74Å; R815-E923 PolarHBondContact NH2-OE1 3.28Å; R815-E923 IonicContact NH2-OE2 3.77Å; R815-E923 PolarHBondContact NH2-OE2 3.04Å; I915-E923 HydrophobicContact CG2-CB 3.93Å; G919-E923 VanDerWaalsContact CA-OE2 3.31Å; G919-E923 WeakPolarHBondContact CA-OE2 3.4Å; E920-E923 HydrophobicContact CB-CG 4.42Å; E920-E923 PolarHBondContact N-OE2 3.03Å; E920-E923 PolarHBondContact O-N 3.36Å; E920-E923 VanDerWaalsContact O-N 3.09Å; A921-E923 PolarHBondContact O-N 2.88Å; E923-A926 PolarHBondContact O-N 3.05Å; E923-L927 PolarHBondContact O-N 2.72Å
924K89.8Confident88.2Confident3 Ų321.1 Ų21.11%0.01311%0.108CC..Hα-helixtrans-62.6-50.2176.3-67179.7-167.2165.90110.9I915 L916 G919 E920 A921 A926 L927 F928 F1219 R1221I915-K924 WeakPolarHBondContact O-CE 3.49Å; I915-K924 WeakPolarHBondContact O-CG 3.36Å; L916-K924 WeakPolarHBondContact O-CE 3.39Å; G919-K924 WeakPolarHBondContact O-CE 3.3Å; G919-K924 PolarHBondContact O-NZ 3.35Å; E920-K924 PolarHBondContact O-N 3Å; E920-K924 VanDerWaalsContact O-N 3.15Å; A921-K924 PolarHBondContact O-N 3.09Å; K924-A926 VanDerWaalsContact C-N 3.3Å; K924-A926 PolarHBondContact O-N 3.48Å; K924-L927 WeakPolarHBondContact O-CB 3.4Å; K924-L927 PolarHBondContact O-N 3.33Å; K924-L927 VanDerWaalsContact O-N 3.11Å; K924-F928 HydrophobicContact CB-CE2 4.42Å; K924-F928 WeakPolarHBondContact O-CD2 3.49Å; K924-F928 PolarHBondContact O-N 3.18Å; K924-F1219 VanDerWaalsContact CD-O 3.28Å; K924-F1219 WeakPolarHBondContact CD-O 3.45Å; K924-F1219 WeakPolarHBondContact CE-O 3.31Å; K924-F1219 PolarHBondContact NZ-O 2.93Å; K924-R1221 PolarHBondContact NZ-O 3.31Å
925L89.6Confident87.1Confident3 Ų323.7 Ų23.72%0.01613%0.125CC..Hα-helixtrans-62.8-37.1179.1-71.1168.4000111.6A921 F928 Y929 F1107 L1206 V1209 F1219A921-L925 WeakPolarHBondContact O-CB 3.39Å; A921-L925 WeakPolarHBondContact O-CD1 3.43Å; A921-L925 VanDerWaalsContact O-CG 3.23Å; A921-L925 WeakPolarHBondContact O-CG 3.05Å; A921-L925 PolarHBondContact O-N 3.12Å; L925-F928 PolarHBondContact O-N 3.06Å; L925-Y929 VanDerWaalsContact O-CB 3.28Å; L925-Y929 WeakPolarHBondContact O-CB 3.48Å; L925-Y929 PolarHBondContact O-N 2.88Å; L925-F1107 HydrophobicContact CD2-CE1 4.23Å; L925-F1107 HydrophobicContact CD2-CE2 4.13Å; L925-F1107 HydrophobicContact CD2-CZ 3.53Å; L925-L1206 HydrophobicContact CB-CD2 3.58Å; L925-L1206 HydrophobicContact CD1-CD2 3.59Å; L925-L1206 HydrophobicContact CG-CD2 4.22Å; L925-V1209 HydrophobicContact CD1-CB 4.1Å; L925-V1209 HydrophobicContact CD1-CG1 3.68Å; L925-V1209 HydrophobicContact CD2-CG1 4.37Å; L925-F1219 HydrophobicContact CD1-CD2 4.45Å; L925-F1219 HydrophobicContact CD2-CD1 4.05Å; L925-F1219 HydrophobicContact CD2-CD2 4.04Å; L925-F1219 HydrophobicContact CD2-CE1 3.83Å; L925-F1219 HydrophobicContact CD2-CE2 3.84Å; L925-F1219 HydrophobicContact CD2-CG 4.16Å; L925-F1219 HydrophobicContact CD2-CZ 3.72Å; L925-F1219 HydrophobicContact CG-CD1 4.31Å; L925-F1219 HydrophobicContact CG-CD2 4.47Å; L925-F1219 HydrophobicContact CG-CG 4.28Å
926A87.1Confident86.6Confident13 Ų1322.3 Ų22.311%0.10712%0.118CC..Hα-helixtrans-63-39.7172.600000112.6T922 E923 K924 Y929 K930 L1202T922-A926 VanDerWaalsContact O-CB 3.29Å; T922-A926 WeakPolarHBondContact O-CB 3.42Å; T922-A926 PolarHBondContact O-N 3.04Å; E923-A926 PolarHBondContact O-N 3.05Å; K924-A926 VanDerWaalsContact C-N 3.3Å; K924-A926 PolarHBondContact O-N 3.48Å; A926-Y929 PolarHBondContact O-N 3.12Å; A926-K930 WeakPolarHBondContact O-CB 3.4Å; A926-K930 VanDerWaalsContact O-CG 3.26Å; A926-K930 WeakPolarHBondContact O-CG 3.5Å; A926-K930 PolarHBondContact O-N 3.49Å; A926-L1202 HydrophobicContact CB-CD2 3.84Å
927L87.8Confident86Confident10 Ų1022.8 Ų22.85%0.05212%0.12CC..Hα-helixtrans-66-45.3176-174.268.4000111.6L895 N912 I915 L916 E923 K924 Y929 K930 C931L895-L927 HydrophobicContact CD2-CD1 3.85Å; N912-L927 WeakPolarHBondContact OD1-CD1 3.43Å; I915-L927 HydrophobicContact CG2-CD2 4.46Å; L916-L927 HydrophobicContact CD1-CD2 4.13Å; L916-L927 HydrophobicContact CD2-CD2 3.75Å; L916-L927 HydrophobicContact CG-CD2 3.69Å; E923-L927 PolarHBondContact O-N 2.72Å; K924-L927 WeakPolarHBondContact O-CB 3.4Å; K924-L927 PolarHBondContact O-N 3.33Å; K924-L927 VanDerWaalsContact O-N 3.11Å; L927-Y929 VanDerWaalsContact C-N 3.32Å; L927-Y929 PolarHBondContact O-N 3.09Å; L927-K930 PolarHBondContact O-N 3.31Å; L927-C931 PolarHBondContact O-N 3.16Å; L927-C931 PolarHBondContact O-SG 3.26Å
928F91.2Very high85.2Confident2 Ų226.8 Ų26.81%0.00914%0.141CC..Hα-helixtrans-60.1-42.8174.7-73.8-68.3000111.6F888 L916 K924 L925 C931 H932 L1103 T1106 F1107 M1110 F1219F888-F928 HydrophobicContact CD2-CD1 4.49Å; F888-F928 HydrophobicContact CE1-CE1 4.26Å; F888-F928 AromaticContact CE2-CD1 3.52Å; F888-F928 HydrophobicContact CE2-CD1 3.52Å; F888-F928 AromaticContact CE2-CE1 3.6Å; F888-F928 HydrophobicContact CE2-CE1 3.6Å; F888-F928 AromaticContact CZ-CD1 3.78Å; F888-F928 HydrophobicContact CZ-CD1 3.78Å; F888-F928 AromaticContact CZ-CE1 3.4Å; F888-F928 HydrophobicContact CZ-CE1 3.4Å; F888-F928 VanDerWaalsContact CZ-CE1 3.4Å; F888-F928 HydrophobicContact CZ-CZ 4.42Å; L916-F928 HydrophobicContact CD2-CE2 4.02Å; L916-F928 HydrophobicContact CD2-CZ 3.85Å; K924-F928 HydrophobicContact CB-CE2 4.42Å; K924-F928 WeakPolarHBondContact O-CD2 3.49Å; K924-F928 PolarHBondContact O-N 3.18Å; L925-F928 PolarHBondContact O-N 3.06Å; F928-C931 PolarHBondContact O-N 3.36Å; F928-H932 PolarHBondContact O-N 3.19Å; F928-H932 PolarHBondContact O-ND1 2.9Å; F928-L1103 HydrophobicContact CB-CD1 3.74Å; F928-T1106 HydrophobicContact CD1-CG2 4.28Å; F928-T1106 HydrophobicContact CE1-CG2 4.36Å; F928-F1107 HydrophobicContact CB-CE1 3.83Å; F928-F1107 HydrophobicContact CB-CZ 4.23Å; F928-F1107 HydrophobicContact CD1-CE1 4.22Å; F928-F1107 AromaticContact CD2-CE1 3.86Å; F928-F1107 HydrophobicContact CD2-CE1 3.86Å; F928-F1107 AromaticContact CG-CE1 3.73Å; F928-F1107 HydrophobicContact CG-CE1 3.73Å; F928-M1110 HydrophobicContact CE1-CE 4.46Å; F928-M1110 HydrophobicContact CE1-SD 3.68Å; F928-M1110 HydrophobicContact CE2-CE 4.22Å; F928-M1110 HydrophobicContact CE2-SD 4.26Å; F928-M1110 HydrophobicContact CZ-CE 3.68Å; F928-M1110 HydrophobicContact CZ-SD 3.49Å; F928-M1110 WeakPolarHBondContact CZ-SD 3.35Å; F928-F1219 HydrophobicContact CD2-CE1 4.31Å; F928-F1219 HydrophobicContact CE2-CE1 4.06Å
929Y89.1Confident84.1Confident2 Ų229.1 Ų29.11%0.00816%0.156CC..Hα-helixtrans-59.2-47.6175.2-174.1-93.7000111.7L925 A926 L927 C931 H932 L933 L1092 P1093 V1094 M1095 L1103 V1200 L1202 I1205L925-Y929 VanDerWaalsContact O-CB 3.28Å; L925-Y929 WeakPolarHBondContact O-CB 3.48Å; L925-Y929 PolarHBondContact O-N 2.88Å; A926-Y929 PolarHBondContact O-N 3.12Å; L927-Y929 VanDerWaalsContact C-N 3.32Å; L927-Y929 PolarHBondContact O-N 3.09Å; Y929-C931 VanDerWaalsContact C-N 3.31Å; Y929-C931 PolarHBondContact O-N 3.02Å; Y929-H932 PolarHBondContact O-N 3.5Å; Y929-L933 HydrophobicContact CD1-CD1 3.79Å; Y929-L933 HydrophobicContact CD1-CG 4.32Å; Y929-L933 HydrophobicContact CE1-CD1 3.41Å; Y929-L933 VanDerWaalsContact CE1-CD1 3.41Å; Y929-L933 HydrophobicContact CE1-CD2 4.45Å; Y929-L933 HydrophobicContact CE1-CG 4.11Å; Y929-L933 PolarHBondContact O-N 2.88Å; Y929-L1092 HydrophobicContact CD1-CD1 4.36Å; Y929-L1092 HydrophobicContact CE1-CB 4.26Å; Y929-P1093 WeakPolarHBondContact CE1-O 3.5Å; Y929-P1093 PolarHBondContact OH-O 2.87Å; Y929-V1094 WeakPolarHBondContact OH-CA 3.23Å; Y929-M1095 HydrophobicContact CD2-CE 3.4Å; Y929-M1095 HydrophobicContact CD2-SD 4.21Å; Y929-M1095 HydrophobicContact CE2-CB 3.75Å; Y929-M1095 HydrophobicContact CE2-CE 3.54Å; Y929-M1095 HydrophobicContact CE2-CG 4.47Å; Y929-M1095 HydrophobicContact CE2-SD 4.06Å; Y929-M1095 HydrophobicContact CG-CE 3.94Å; Y929-M1095 PolarHBondContact OH-N 3.43Å; Y929-L1103 HydrophobicContact CD2-CD2 4.37Å; Y929-V1200 PolarHBondContact OH-O 3.18Å; Y929-L1202 HydrophobicContact CD1-CB 4.23Å; Y929-L1202 HydrophobicContact CD1-CD1 4.43Å; Y929-L1202 HydrophobicContact CD2-CB 4.37Å; Y929-L1202 HydrophobicContact CD2-CD1 4.14Å; Y929-L1202 HydrophobicContact CE1-CB 4.14Å; Y929-L1202 HydrophobicContact CE2-CB 4.3Å; Y929-L1202 HydrophobicContact CG-CB 4.34Å; Y929-L1202 HydrophobicContact CG-CD1 3.91Å; Y929-I1205 HydrophobicContact CD2-CD1 3.79Å; Y929-I1205 HydrophobicContact CE2-CD1 3.82Å
930K86.3Confident83Confident37 Ų3732 Ų3216%0.16118%0.176CC..Hα-helixtrans-59.3-36.7177-74170-179.5175.40112.8L895 A926 L927 H932 L933 A1076 L1092L895-K930 HydrophobicContact CD1-CB 4.14Å; L895-K930 HydrophobicContact CD2-CB 3.87Å; A926-K930 WeakPolarHBondContact O-CB 3.4Å; A926-K930 VanDerWaalsContact O-CG 3.26Å; A926-K930 WeakPolarHBondContact O-CG 3.5Å; A926-K930 PolarHBondContact O-N 3.49Å; L927-K930 PolarHBondContact O-N 3.31Å; K930-H932 PolarHBondContact O-N 3.21Å; K930-L933 PolarHBondContact O-N 2.99Å; K930-A1076 HydrophobicContact CD-CB 4.4Å; K930-A1076 PolarHBondContact NZ-O 2.87Å; K930-A1076 VanDerWaalsContact NZ-O 3.08Å; K930-L1092 HydrophobicContact CG-CD2 4.28Å
931C88.6Confident82Confident0 Ų027.3 Ų27.30%016%0.155CC..Hα-helixtrans-64.7-22.7176.8-65.10000113.1F888 R891 L927 F928 Y929F888-C931 HydrophobicContact CE2-CB 4.36Å; R891-C931 HydrophobicContact CB-CB 4.23Å; R891-C931 WeakPolarHBondContact CD-O 3.42Å; L927-C931 PolarHBondContact O-N 3.16Å; L927-C931 PolarHBondContact O-SG 3.26Å; F928-C931 PolarHBondContact O-N 3.36Å; Y929-C931 VanDerWaalsContact C-N 3.31Å; Y929-C931 PolarHBondContact O-N 3.02Å
932H88.6Confident81Confident0 Ų029.5 Ų29.50%017%0.166CC..THydrogen-bonded Turntrans-101.110.1-178.3-67.285.1000112.8R891 F928 Y929 K930 M1095 Q1099 Q1102 L1103 T1106R891-H932 PolarHBondContact NH1-CD2 3.09Å; R891-H932 PolarHBondContact NH1-NE2 3.46Å; R891-H932 VanDerWaalsContact NH1-NE2 3.12Å; F928-H932 PolarHBondContact O-N 3.19Å; F928-H932 PolarHBondContact O-ND1 2.9Å; Y929-H932 PolarHBondContact O-N 3.5Å; K930-H932 PolarHBondContact O-N 3.21Å; H932-M1095 HydrophobicContact CB-CE 3.59Å; H932-Q1099 WeakPolarHBondContact O-CG 3.41Å; H932-Q1102 PolarHBondContact NE2-O 3.28Å; H932-L1103 HydrophobicContact CB-CB 4.28Å; H932-L1103 PolarHBondContact CD2-N 3.12Å; H932-T1106 PolarHBondContact CE1-OG1 3.45Å; H932-T1106 VanDerWaalsContact CE1-OG1 3.26Å; H932-T1106 PolarHBondContact NE2-OG1 3.06Å
933L83.7Confident79.5Confident8 Ų833.4 Ų33.44%0.04219%0.185CC..SBendtrans-110.6153.2171.6-66.9-178.2000111.2Y929 K930 A936 F937 P1093 M1095Y929-L933 HydrophobicContact CD1-CD1 3.79Å; Y929-L933 HydrophobicContact CD1-CG 4.32Å; Y929-L933 HydrophobicContact CE1-CD1 3.41Å; Y929-L933 VanDerWaalsContact CE1-CD1 3.41Å; Y929-L933 HydrophobicContact CE1-CD2 4.45Å; Y929-L933 HydrophobicContact CE1-CG 4.11Å; Y929-L933 PolarHBondContact O-N 2.88Å; K930-L933 PolarHBondContact O-N 2.99Å; L933-A936 PolarHBondContact O-N 3.17Å; L933-F937 PolarHBondContact O-N 3.18Å; L933-P1093 HydrophobicContact CD1-CB 4.25Å; L933-P1093 HydrophobicContact CD1-CG 4.35Å; L933-M1095 HydrophobicContact CD2-CB 4.42Å; L933-M1095 HydrophobicContact CD2-CE 4.23Å; L933-M1095 HydrophobicContact CG-CE 4.43Å
934P77.2Confident77.8Confident71 Ų7134.1 Ų34.146%0.46120%0.202SC..THydrogen-bonded Turntrans-58.9140.8167.2-2334.5000111
935P69.3Low75.6Confident53 Ų5338.1 Ų38.134%0.34422%0.224SC..THydrogen-bonded Turncis-92.31.210.5415.8000114.7M1069P935-M1069 HydrophobicContact CG-CB 4.37Å; P935-M1069 HydrophobicContact CG-SD 4.15Å
936A79.1Confident72.9Confident0 Ų046 Ų460%027%0.266CS..THydrogen-bonded Turntrans-70.2-44.9-179.400000111.6R891 R894 L895 L933R891-A936 WeakPolarHBondContact O-CB 3.39Å; R894-A936 WeakPolarHBondContact CD-O 3.41Å; L895-A936 HydrophobicContact CB-CB 4.02Å; L895-A936 HydrophobicContact CD1-CB 4.45Å; L933-A936 PolarHBondContact O-N 3.17Å
937F79.5Confident70.3Confident12 Ų1250.6 Ų50.65%0.05330%0.297CS..  trans-81.9130.9174.7179.3-89.7000111.5R891 L933 M939 I1098 Q1099 Q1102R891-F937 VanDerWaalsContact CZ-CD2 3.47Å; R891-F937 VanDerWaalsContact NH2-CE2 3.27Å; L933-F937 PolarHBondContact O-N 3.18Å; F937-M939 HydrophobicContact CE1-SD 4.19Å; F937-I1098 HydrophobicContact CZ-CG2 4.4Å; F937-Q1099 HydrophobicContact CD1-CG 4.13Å; F937-Q1099 HydrophobicContact CE1-CG 4Å; F937-Q1099 HydrophobicContact CG-CG 4.5Å; F937-Q1099 HydrophobicContact CZ-CG 4.26Å; F937-Q1102 HydrophobicContact CE2-CB 4.32Å; F937-Q1102 HydrophobicContact CE2-CG 4.1Å
938N75.6Confident67.7Low84 Ų8455.1 Ų55.145%0.44933%0.33SS..  trans-125.7148.9171-1644.5000111S940 D941N938-S940 PolarHBondContact ND2-OG 3.05Å; N938-S940 PolarHBondContact O-N 3.21Å; N938-D941 PolarHBondContact N-OD2 3.44Å; N938-D941 VanDerWaalsContact O-CB 3.25Å; N938-D941 WeakPolarHBondContact O-CB 3.3Å; N938-D941 VanDerWaalsContact O-CG 3.26Å; N938-D941 PolarHBondContact O-N 3.25Å
939M68.2Low64.9Low115 Ų11564.2 Ų64.257%0.56737%0.372SS*.G310 helixtrans-62-30.5-179.9-71.7-66.9-73.500112.5F937 D941 L942F937-M939 HydrophobicContact CE1-SD 4.19Å; M939-D941 PolarHBondContact O-N 3.02Å; M939-L942 HydrophobicContact CE-CD1 4.21Å; M939-L942 WeakPolarHBondContact O-CB 3.41Å; M939-L942 WeakPolarHBondContact O-CG 3.17Å; M939-L942 PolarHBondContact O-N 3.27Å; M939-L942 VanDerWaalsContact O-N 3.15Å; M939-L942 HydrophobicContact SD-CD1 4.26Å
940S65.5Low62.1Low59 Ų5973.3 Ų73.341%0.41342%0.415SS..G310 helixtrans-64.5-16.8174.761.40000114.1N938 L942 D943N938-S940 PolarHBondContact ND2-OG 3.05Å; N938-S940 PolarHBondContact O-N 3.21Å; S940-L942 PolarHBondContact O-N 3.46Å; S940-D943 PolarHBondContact O-N 3.35Å
941D67Low59.3Low16 Ų1676.8 Ų76.89%0.08644%0.444CS..G310 helixtrans-65.4-14.4174.9-61-15.5000111.5I887 R891 R894 N938 M939I887-D941 HydrophobicContact CG2-CB 4.36Å; R891-D941 IonicContact CZ-OD2 2.72Å; R891-D941 IonicContact NE-OD2 3.5Å; R891-D941 PolarHBondContact NE-OD2 2.91Å; R891-D941 IonicContact NH2-OD2 3.73Å; R891-D941 PolarHBondContact NH2-OD2 2.78Å; R894-D941 IonicContact CZ-OD1 3.01Å; R894-D941 IonicContact NH1-OD1 2.6Å; R894-D941 PolarHBondContact NH1-OD1 3.41Å; R894-D941 IonicContact NH1-OD2 3.75Å; R894-D941 IonicContact NH2-OD1 2.74Å; N938-D941 PolarHBondContact N-OD2 3.44Å; N938-D941 VanDerWaalsContact O-CB 3.25Å; N938-D941 WeakPolarHBondContact O-CB 3.3Å; N938-D941 VanDerWaalsContact O-CG 3.26Å; N938-D941 PolarHBondContact O-N 3.25Å; M939-D941 PolarHBondContact O-N 3.02Å
942L65.4Low56.2Low46 Ų4682.6 Ų82.624%0.24148%0.484CS..G310 helixtrans-82.2-22.7177.9-58172.7000112.8M939 S940 I1098 Q1102M939-L942 HydrophobicContact CE-CD1 4.21Å; M939-L942 WeakPolarHBondContact O-CB 3.41Å; M939-L942 WeakPolarHBondContact O-CG 3.17Å; M939-L942 PolarHBondContact O-N 3.27Å; M939-L942 VanDerWaalsContact O-N 3.15Å; M939-L942 HydrophobicContact SD-CD1 4.26Å; S940-L942 PolarHBondContact O-N 3.46Å; L942-I1098 HydrophobicContact CD1-CG2 4.03Å; L942-I1098 HydrophobicContact CD2-CG2 4.33Å; L942-Q1102 HydrophobicContact CD2-CG 4.17Å
943D55.1Low53.5Low130 Ų13088 Ų8870%0.69552%0.519SS*.G310 helixtrans-81.9-15.9-174.6-62.4-34000113.4S940 L945S940-D943 PolarHBondContact O-N 3.35Å; D943-L945 PolarHBondContact O-N 2.73Å; D943-L945 VanDerWaalsContact O-N 3.12Å
944G49.4Very low51Low52 Ų5297.1 Ų97.154%0.53656%0.562SS.*G310 helixtrans-74.98.6-178.900000115.6
945L44.8Very low48.6Very low88 Ų88105.7 Ų105.746%0.46159%0.585SS.*G310 helixtrans-94.6-10.8-170.1-77.4162.1000115.1D943D943-L945 PolarHBondContact O-N 2.73Å; D943-L945 VanDerWaalsContact O-N 3.12Å
946D33.5Very low46.6Very low167 Ų167113 Ų11389%0.89361%0.611SS**SBendtrans-105.64.2-169.3-101.1-0.4000116.1
947S32.4Very low44.2Very low111 Ų111121.2 Ų121.278%0.77666%0.655SS**SBendtrans-122.48.6-168.461.30000118.1
948S33Very low41.8Very low104 Ų104124 Ų12473%0.72769%0.687SS**SBendtrans-129.113.6-172.763.30000118
949E32.3Very low39.7Very low194 Ų194128.2 Ų128.291%0.90770%0.704SS**SBendtrans-98.7-0.3177-74.7-162.1162.200116.2
950E29.1Very low37.8Very low193 Ų193128.7 Ų128.790%0.90272%0.716SS**SBendtrans-103.976.1172.6-74.9-169.3163.900112.2
951S27.5Very low36.5Very low109 Ų109133.7 Ų133.776%0.76273%0.733SS**  trans169.6102.1141.444.20000113.2
952S23.6Very low35.2Very low122 Ų122140.7 Ų140.785%0.85377%0.769SS**  trans174.4158.3138.1-83.90000112.6
953P32Very low33.5Very low114 Ų114143.1 Ų143.174%0.7480%0.795SS**  trans-98.7151.7-138.636.8-34.8000116.1
954E31.6Very low32.3Very low200 Ų200144.2 Ų144.294%0.93580%0.8SS**  trans10105.7159.9-65.4179.7168.200117.9
955R27.5Very low31.6Very low251 Ų251149.6 Ų149.695%0.94781%0.811SS**  trans-126.8136.8151.8-80.3-173.4179.4171.13.4110.5
956K27.3Very low30.9Very low205 Ų205149.5 Ų149.589%0.89182%0.823SS**  trans-56.4145.6-168.7-72.5174.3171.3177.60114.8
957D28.8Very low31Very low174 Ų174147.2 Ų147.293%0.9382%0.815SS**  trans-39.9130.3174.5-58.4-48.6000114.8
958G29.1Very low31.2Very low69 Ų69149.5 Ų149.571%0.71182%0.819SS**  trans176.272.6174.400000108.1
959E29.6Very low31.2Very low173 Ų173151.7 Ų151.781%0.80882%0.821SS**  trans-51.6140176-69.6171.5149.700112.1
960P28.6Very low31.5Very low125 Ų125148.6 Ų148.681%0.81281%0.81SS**  trans-111.396.2140.328.6-14000108.3L962P960-L962 PolarHBondContact O-N 3.14Å
961E38.8Very low31.5Very low165 Ų165142.9 Ų142.977%0.77180%0.803SS**  trans-54.7119.7152.8-75.7-177.714300107.6
962L38.8Very low31.6Very low163 Ų163143.9 Ų143.985%0.85381%0.805SS**  trans160.769.6151.8-86161000110P960P960-L962 PolarHBondContact O-N 3.14Å
963A31.1Very low31.9Very low96 Ų96144.1 Ų144.179%0.79380%0.804SS**SBendtrans-159.523.9163.700000114.2
964I29.7Very low31.6Very low153 Ų153148.6 Ų148.679%0.78581%0.812SS**SBendtrans-112-3.7177-61.7178.3000112.1
965E33.6Very low31.5Very low166 Ų166151 Ų15178%0.77681%0.812SS**THydrogen-bonded Turntrans-94.39.8-174.5-114.7-178.5179.300115.5
966A31.9Very low31.5Very low85 Ų85145.1 Ų145.170%0.70280%0.804SS**THydrogen-bonded Turntrans-100-10.9-178.500000114.7
967T35.5Very low31.4Very low120 Ų120145 Ų14574%0.73681%0.807SS**SBendtrans-99.1-16.2-178.930.40000114.7
968D35.3Very low31.4Very low159 Ų159140.7 Ų140.785%0.8580%0.796SS**SBendtrans-95.5-0.4-175.9-102.75000114.9
969L34Very low31.2Very low149 Ų149146 Ų14678%0.7880%0.802SS**SBendtrans-1025.8-176.4-117.7152.9000114.5
970L37.9Very low31Very low129 Ų129144.9 Ų144.968%0.67580%0.8SS**  trans-124.973.3179.8-65.1172.4000110.8
971G29.5Very low30.9Very low73 Ų73146.6 Ų146.675%0.75380%0.798SS**  trans-142.4124.517300000112.1
972T30.2Very low30.2Very low131 Ų131145.5 Ų145.580%0.80479%0.792SS**  trans-43155-169.653.90000119.5
973P28.6Very low29.5Very low127 Ų127147.1 Ų147.183%0.82579%0.787SS**  trans-84131.4179.533.8-31.2000112.5
974K27.1Very low29.2Very low208 Ų208152.9 Ų152.990%0.90479%0.788SS**  trans-113.7121.4158.9-82.2-174.1178.8176.50110.7
975R27.7Very low29Very low249 Ų249149.8 Ų149.894%0.9478%0.78SS**  trans-71.6146.1174.3-134.5174.4-176.4175.60.7110.4
976T27.5Very low28.6Very low128 Ų128149 Ų14979%0.78578%0.781SS**  trans-55.9142.1-174.1-15.10000115.6
977Q26.6Very low28.3Very low203 Ų203149.1 Ų149.195%0.94978%0.777SS**  trans-139.4144.2140.1-110.6-176.75.500110.1
978A27.5Very low27.9Very low84 Ų84149 Ų14969%0.69478%0.776SS**  trans-100.2166.8-158.100000113.8
979Q26.1Very low27.4Very low180 Ų180148.3 Ų148.384%0.84177%0.773SS**  trans77.6112.2154.8-65.7179.1-1900119
980L25.8Very low26.9Very low149 Ų149148.5 Ų148.578%0.7877%0.773SS**  169.2105.1109.7-85.1159.2000107.5
981Q25.8Very low27.1Very low161 Ų161147.1 Ų147.175%0.75277%0.771SS**  75.8111.8100-110.1179.7-6.500115.9
982E24.9Very low26.9Very low142 Ų142154.9 Ų154.966%0.66478%0.778SS**  trans75.9127.7134.5-93.6-167.4-156.200122.6
983R23.7Very low26.6Very low197 Ų197156.5 Ų156.574%0.74377%0.774SS**  trans103.3104.3136.4-79.4175.2-174-151.8-3.4120
984R24.3Very low26.4Very low217 Ų217157.6 Ų157.682%0.81977%0.768SS**  66.9106.8113-91.5-173.4-178.2-178.20.4119.1
985S25.8Very low26.3Very low88 Ų88153 Ų15362%0.61576%0.762SS**  70.2141.8114.163.60000121.3
986N24.9Very low26.3Very low149 Ų149147.4 Ų147.480%0.79775%0.751SS**  trans86.8149.6154-63.4-7.2000116.6
987S25.3Very low26.2Very low88 Ų88148.4 Ų148.462%0.61575%0.747SS**  cis171.1142-23.658.40000105.3
988V27.2Very low26.2Very low117 Ų117145.7 Ų145.771%0.70974%0.739SS**  trans68.7135.8153-127.50000121.9
989D24.3Very low26.1Very low146 Ų146149.3 Ų149.378%0.78175%0.746SS**  115.7128.7127.9-81.9-36.3000120.6
990I24.9Very low26.1Very low152 Ų152144.5 Ų144.578%0.77974%0.736SS**  trans-78.1-173.7177.8-34.6174.4000108.3
991P42.4Very low26.1Very low100 Ų100144.5 Ų144.565%0.64974%0.737SS**  cis-138.6174.1-19.913.214.7000118
992R24.3Very low26.1Very low237 Ų237141.8 Ų141.889%0.89474%0.736SS**  trans57.9132.1139.3-72.9176173.7172.9-1.7122.9
993K23.9Very low26.2Very low165 Ų165143.4 Ų143.472%0.71775%0.748SS**  151.4121.3118.8-97.7-171.4169.6-123.90111.8
994E24.1Very low26.3Very low149 Ų149144.8 Ų144.870%0.69675%0.753SS**  94.6140.489.4-96176.5-174.300115.5
995S26.1Very low26.4Very low112 Ų112140.5 Ų140.578%0.78375%0.752SS**  trans79.9144.5153.5790000117.7
996D26Very low26.3Very low132 Ų132147.6 Ų147.671%0.70677%0.765SS**  cis-175.4162.2-10.7-129.10.8000108.4
997Q26.7Very low26.2Very low149 Ų149146.3 Ų146.370%0.69677%0.766SS**  trans85.1108.5143.1-70.9163.127.300124.1
998N26.7Very low26.1Very low146 Ų146146.8 Ų146.878%0.78177%0.769SS**  62130.6116.4-64.7-21.4000123.3
999L24.9Very low25.9Very low160 Ų160147.6 Ų147.684%0.83878%0.775SS**  158.3108.2104.7-152.971.4000110.7
1000A27Very low25.8Very low78 Ų78146 Ų14665%0.64578%0.775SS**  53.5135103.800000115.7
1001D24.7Very low25.7Very low149 Ų149144.3 Ų144.380%0.79778%0.777SS**  cis-157.7137.641.7-79.7-47.3000110.2
1002S26.7Very low24.8Very low105 Ų105144 Ų14473%0.73478%0.783SS**  51.8117.383-85.50000118.4
1003L26.2Very low24.7Very low175 Ų175139.7 Ų139.792%0.91678%0.783SS**  178.8141.6105.4-90.6168.7000114.6
1004R25.1Very low24.6Very low226 Ų226139.9 Ų139.985%0.85379%0.788SS**  trans-84160.2175.8-66.1168169174-4112.2
1005T27Very low24.6Very low128 Ų128139.1 Ų139.179%0.78579%0.787SS**  158.9121.6120.631.80000112.6
1006R24.8Very low24.3Very low237 Ų237142.1 Ų142.189%0.89479%0.789SS**  75.1113.498.6-76.6-171.5-176.5-177.61.7118.4
1007C22.1Very low24.3Very low121 Ų121139.6 Ų139.682%0.81879%0.786SS**  47.5128.2128.5-133.20000123
1008S22.7Very low24.1Very low98 Ų98140.5 Ų140.569%0.68580%0.796SS**  132.5136121.3-67.20000118.5
1009T22.6Very low24.1Very low135 Ų135142.4 Ų142.483%0.82880%0.802SS**  trans80.2112.6143.7510000124.4
1010S23Very low24.2Very low112 Ų112143.9 Ų143.978%0.78381%0.805SS**  36.7120.2126.2-167.30000122.5
1011S22.8Very low24.1Very low116 Ų116148.9 Ų148.981%0.81182%0.815SS**  166.8153.5115.8-85.10000113.4
1012A23.9Very low24.1Very low94 Ų94152.7 Ų152.778%0.77782%0.818SS**  trans-68.1159.4-174.300000115.9
1013V22.1Very low24Very low147 Ų147153 Ų15389%0.89183%0.827SS**  trans173.4142.4130157.30000109.6
1014M22.1Very low24.2Very low169 Ų169148.5 Ų148.583%0.83381%0.81SS**  trans-85.5169.1-174.6-80.3-109.7-73.400114.9
1015I22.7Very low24.6Very low132 Ų132145.7 Ų145.768%0.67781%0.812SS**  trans89.2103.6153.6-23.8-179.3000118.2
1016H20.9Very low24.5Very low176 Ų176144.2 Ų144.282%0.81581%0.813SS**  174.7143.592-113-71.6000112
1017A25.2Very low25.1Very low79 Ų79142.7 Ų142.765%0.65382%0.816SS**  trans-12.3129.5164.200000118.6
1018N23.2Very low25.5Very low167 Ų167140.1 Ų140.189%0.89380%0.799SS**  -166.9131.3117.2-103.9-2.4000110.5
1019M26.3Very low25.9Very low186 Ų186141.9 Ų141.992%0.91680%0.8SS**  trans-106.699.8-177-176.7173.7161.500105.5
1020E26.5Very low26.4Very low192 Ų192140.8 Ų140.890%0.89779%0.788SS**  trans179.1144.7160.3-104163.8-171.300109.4
1021E25.8Very low26.9Very low183 Ų183140.5 Ų140.586%0.85578%0.778SS**  trans79.694.8-179.7-62.8-170154.400118.9
1022R24.5Very low27.3Very low228 Ų228141 Ų14186%0.8677%0.771SS**  16199.1119.8-88175.7-176.3179.30.5110.5
1023A24.4Very low27.8Very low113 Ų113142.1 Ų142.193%0.93476%0.763SS**  trans-10773.4155.300000107.6
1024S30Very low28.3Very low80 Ų80137.9 Ų137.956%0.55974%0.743SS**  trans-148.9126.6159.262.20000105.4
1025D33.7Very low28.7Very low167 Ų167133.9 Ų133.989%0.89373%0.731SS**  trans98.479.5177.7-45.9-24000115.1
1026A26.4Very low29.3Very low97 Ų97135 Ų13580%0.80273%0.731SS**  trans-149.497.4148.500000109.3S1028A1026-S1028 PolarHBondContact O-N 3.06Å
1027E35.9Very low29.6Very low204 Ų204131.5 Ų131.595%0.95373%0.727SS**  trans-67.9109160.7-75.5177.614400108.8
1028S31.4Very low29.7Very low67 Ų67134.9 Ų134.947%0.46973%0.732SS.*  trans156.2122.1145.2178.80000110.4A1026 I1030 D1031A1026-S1028 PolarHBondContact O-N 3.06Å; S1028-I1030 PolarHBondContact O-N 2.93Å; S1028-I1030 WeakPolarHBondContact OG-CB 3.32Å; S1028-I1030 WeakPolarHBondContact OG-CG1 3.36Å; S1028-I1030 PolarHBondContact OG-N 3Å; S1028-D1031 PolarHBondContact O-N 3.44Å
1029L31.2Very low29.8Very low135 Ų135130.9 Ų130.971%0.70773%0.731SS**THydrogen-bonded Turntrans-62.7-9.9177-141.2114.9000113.3I1033L1029-I1033 HydrophobicContact CD2-CD1 4.25Å
1030I33.3Very low29.8Very low112 Ų112127.3 Ų127.357%0.57472%0.724SS**Hα-helixtrans-73.2-32.3-177-62.3179.2000111.8S1028 A1034S1028-I1030 PolarHBondContact O-N 2.93Å; S1028-I1030 WeakPolarHBondContact OG-CB 3.32Å; S1028-I1030 WeakPolarHBondContact OG-CG1 3.36Å; S1028-I1030 PolarHBondContact OG-N 3Å; I1030-A1034 PolarHBondContact O-N 3.35Å
1031D32.5Very low29.8Very low106 Ų106124.3 Ų124.357%0.56772%0.723SS**Hα-helixtrans-79.3-21178.8-78.2-13.7000112.5K847 S1028 S1035K847-D1031 IonicContact NZ-OD1 3.58Å; S1028-D1031 PolarHBondContact O-N 3.44Å; D1031-S1035 PolarHBondContact O-N 2.95Å
1032L32Very low29.9Very low128 Ų128121.4 Ų121.467%0.6772%0.72SS**Hα-helixtrans-74.6-34.4174.2-155.177.1000111.8S1035L1032-S1035 PolarHBondContact O-OG 3.11Å
1033I33.9Very low30Very low117 Ų117116.1 Ų116.160%0.672%0.718SS**Hα-helixtrans-74.6-39178.2-64.1171.2000110.9L1029 S1035 K1036L1029-I1033 HydrophobicContact CD2-CD1 4.25Å; I1033-S1035 PolarHBondContact O-N 3.11Å; I1033-K1036 PolarHBondContact O-N 2.68Å
1034A31.9Very low30.3Very low58 Ų58119.6 Ų119.648%0.47972%0.715SS.*Hα-helixtrans-63.5-24.4176.700000113.4I1030 K1036I1030-A1034 PolarHBondContact O-N 3.35Å; A1034-K1036 VanDerWaalsContact C-N 3.34Å; A1034-K1036 PolarHBondContact O-N 3.08Å
1035S31.7Very low30.1Very low84 Ų84122.3 Ų122.359%0.58773%0.728SS**THydrogen-bonded Turntrans-78.8-10.4-179.973.60000114.8D1031 L1032 I1033D1031-S1035 PolarHBondContact O-N 2.95Å; L1032-S1035 PolarHBondContact O-OG 3.11Å; I1033-S1035 PolarHBondContact O-N 3.11Å
1036K34.8Very low29.8Very low155 Ų155121.6 Ų121.667%0.67473%0.725SS**THydrogen-bonded Turntrans-104.5-1.8-174.6-94.9-176.3175.2-177.80115.9I1033 A1034I1033-K1036 PolarHBondContact O-N 2.68Å; A1034-K1036 VanDerWaalsContact C-N 3.34Å; A1034-K1036 PolarHBondContact O-N 3.08Å
1037S27.6Very low29.9Very low104 Ų104122.4 Ų122.473%0.72772%0.719SS**SBendtrans-100.410.3-179.497.50000115.7
1038I26.9Very low29.5Very low149 Ų149120.2 Ų120.276%0.76471%0.714SS**  trans-11299.1174.9-58.3175.5000108.5S1040I1038-S1040 PolarHBondContact O-N 3.38Å
1039G25.8Very low29.7Very low84 Ų84128.6 Ų128.687%0.86674%0.736SS**  trans-72.2121174.600000111.5
1040S25.6Very low29.7Very low110 Ų110129.6 Ų129.677%0.76974%0.74SS**  trans-134.4120156.6-157.30000108.1I1038I1038-S1040 PolarHBondContact O-N 3.38Å
1041C26.9Very low29.7Very low129 Ų129132 Ų13287%0.87275%0.748SS**  trans-68.6138.4173.8-66.50000110.5
1042P27.7Very low29.5Very low123 Ų123132.5 Ų132.580%0.79976%0.755SS**  trans-106.6133.2157.314.55.2000111.5
1043S27.1Very low29.4Very low117 Ų117129.8 Ų129.882%0.81875%0.751SS**  trans-61.2146.5167.248.70000112.8
1044E30.1Very low29.1Very low186 Ų186129.6 Ų129.687%0.86975%0.751SS**  trans-57.4136.7176.3-66.4176.3145.200113.7
1045T26.8Very low29.1Very low136 Ų136130.7 Ų130.783%0.83475%0.752SS**  trans-172.9102.5132.1200000111
1046D27.1Very low28.9Very low153 Ų153129.4 Ų129.482%0.81875%0.747SS**  trans58116133-97.7-15.1000124.1
1047V27Very low28.6Very low114 Ų114129.1 Ų129.169%0.69175%0.745SS**  trans83.598.6143.9-147.50000120.1
1048D29.2Very low28.7Very low157 Ų157127.1 Ų127.184%0.8473%0.732SS**  -164.1137.695.2-114.7-29.3000113.5I1050D1048-I1050 PolarHBondContact O-N 2.95Å
1049R34.6Very low28.8Very low244 Ų244126 Ų12692%0.92172%0.719SS**  trans-83.4111.3-169.9-78.7175.2167.8171.5-3.4112
1050I31.6Very low29.1Very low156 Ų156125 Ų12580%0.870%0.698SS**  trans-125.3136.4154.5-59.9179.2000107.7D1048 V1052D1048-I1050 PolarHBondContact O-N 2.95Å; I1050-V1052 WeakPolarHBondContact O-CG2 3.49Å; I1050-V1052 PolarHBondContact O-N 2.74Å; I1050-V1052 VanDerWaalsContact O-N 3.16Å
1051Q32.7Very low29.5Very low161 Ų161123.6 Ų123.675%0.75269%0.685SS**  trans-39102.2-161.7-73.2163.8-38.100116.8
1052V29.1Very low29.9Very low117 Ų117121.4 Ų121.471%0.70967%0.667SS**  trans-84-3176178.80000113.1I1050 A1056I1050-V1052 WeakPolarHBondContact O-CG2 3.49Å; I1050-V1052 PolarHBondContact O-N 2.74Å; I1050-V1052 VanDerWaalsContact O-N 3.16Å; V1052-A1056 WeakPolarHBondContact O-CB 3.47Å
1053A28.9Very low30.3Very low71 Ų71120.4 Ų120.459%0.58766%0.655SS**Hα-helixtrans-80.7-32.6-174.800000114.6
1054D27.8Very low30.7Very low113 Ų113121 Ų12160%0.60465%0.645SS**Hα-helixtrans-86.6-26.9-176.3-70.5-33.2000112.9
1055V31.4Very low31Very low82 Ų82115 Ų11550%0.49762%0.623SS.*Hα-helixtrans-75.8-40174.5-178.40000110.6K1057 S1058 Y1059V1055-K1057 VanDerWaalsContact C-N 3.34Å; V1055-K1057 PolarHBondContact O-N 2.86Å; V1055-S1058 PolarHBondContact O-N 3.34Å; V1055-S1058 VanDerWaalsContact O-N 3.15Å; V1055-S1058 PolarHBondContact O-OG 3.01Å; V1055-Y1059 HydrophobicContact CG1-CD2 3.73Å; V1055-Y1059 HydrophobicContact CG1-CE2 3.51Å; V1055-Y1059 VanDerWaalsContact O-CD2 3.26Å; V1055-Y1059 WeakPolarHBondContact O-CD2 3.47Å; V1055-Y1059 PolarHBondContact O-N 2.98Å
1056A29.1Very low31.7Very low57 Ų57111.6 Ų111.647%0.47160%0.6SS.*Hα-helixtrans-65-31178.500000114V1052 S1060V1052-A1056 WeakPolarHBondContact O-CB 3.47Å; A1056-S1060 PolarHBondContact O-N 3.02Å; A1056-S1060 VanDerWaalsContact O-N 3.15Å
1057K28.1Very low32.6Very low148 Ų148109 Ų10964%0.64358%0.582SS**Hα-helixtrans-69.3-34.2172.6-90.3-179.1173.9-179.10113V1055 S1060 V1061V1055-K1057 VanDerWaalsContact C-N 3.34Å; V1055-K1057 PolarHBondContact O-N 2.86Å; K1057-S1060 PolarHBondContact O-OG 3.36Å; K1057-V1061 VanDerWaalsContact O-CG2 3.26Å; K1057-V1061 WeakPolarHBondContact O-CG2 3.17Å; K1057-V1061 PolarHBondContact O-N 3.36Å
1058S29.3Very low33.4Very low63 Ų63110 Ų11044%0.44158%0.577SS.*Hα-helixtrans-72.3-32.4177.368.50000112.7V1055 V1062V1055-S1058 PolarHBondContact O-N 3.34Å; V1055-S1058 VanDerWaalsContact O-N 3.15Å; V1055-S1058 PolarHBondContact O-OG 3.01Å; S1058-V1062 VanDerWaalsContact O-CG2 3.29Å; S1058-V1062 WeakPolarHBondContact O-CG2 2.86Å; S1058-V1062 PolarHBondContact O-N 2.6Å
1059Y29.9Very low34.2Very low125 Ų125105.8 Ų105.849%0.4955%0.554SS.*Hα-helixtrans-75.5-36175.2-79.7-76.8000112.8V1055 D1063V1055-Y1059 HydrophobicContact CG1-CD2 3.73Å; V1055-Y1059 HydrophobicContact CG1-CE2 3.51Å; V1055-Y1059 VanDerWaalsContact O-CD2 3.26Å; V1055-Y1059 WeakPolarHBondContact O-CD2 3.47Å; V1055-Y1059 PolarHBondContact O-N 2.98Å; Y1059-D1063 PolarHBondContact O-N 3.48Å; Y1059-D1063 VanDerWaalsContact O-N 3.16Å
1060S32.2Very low34.8Very low62 Ų6298.3 Ų98.343%0.43453%0.528SS..Hα-helixtrans-69.7-33.917877.10000113.3A1056 K1057 E1064A1056-S1060 PolarHBondContact O-N 3.02Å; A1056-S1060 VanDerWaalsContact O-N 3.15Å; K1057-S1060 PolarHBondContact O-OG 3.36Å; S1060-E1064 WeakPolarHBondContact O-CB 2.95Å; S1060-E1064 PolarHBondContact O-N 2.66Å
1061V33.4Very low35.6Very low82 Ų8296 Ų9650%0.49751%0.514SS..Hα-helixtrans-73.8-32.7180174.10000112K1057 S1065K1057-V1061 VanDerWaalsContact O-CG2 3.26Å; K1057-V1061 WeakPolarHBondContact O-CG2 3.17Å; K1057-V1061 PolarHBondContact O-N 3.36Å; V1061-S1065 WeakPolarHBondContact O-CB 3.35Å; V1061-S1065 PolarHBondContact O-N 2.71Å; V1061-S1065 PolarHBondContact O-OG 2.68Å
1062V35.6Very low36.3Very low82 Ų8291.5 Ų91.550%0.49749%0.494SS..Hα-helixtrans-74.3-43.3176.8176.50000110.7S1058 S1065 I1066S1058-V1062 VanDerWaalsContact O-CG2 3.29Å; S1058-V1062 WeakPolarHBondContact O-CG2 2.86Å; S1058-V1062 PolarHBondContact O-N 2.6Å; V1062-S1065 PolarHBondContact O-N 2.6Å; V1062-I1066 HydrophobicContact CG1-CD1 3.78Å; V1062-I1066 HydrophobicContact CG1-CG1 4.48Å; V1062-I1066 WeakPolarHBondContact O-CB 2.93Å; V1062-I1066 WeakPolarHBondContact O-CD1 3.44Å; V1062-I1066 WeakPolarHBondContact O-CG1 3.41Å; V1062-I1066 PolarHBondContact O-N 2.85Å
1063D35.3Very low37.3Very low103 Ų10387.2 Ų87.255%0.55147%0.465SS*.Hα-helixtrans-68-37.7175.4-75.7-24.3000112.1Y1059 I1066 E1067Y1059-D1063 PolarHBondContact O-N 3.48Å; Y1059-D1063 VanDerWaalsContact O-N 3.16Å; D1063-I1066 PolarHBondContact O-N 3.05Å; D1063-E1067 WeakPolarHBondContact O-CB 3.29Å; D1063-E1067 PolarHBondContact O-N 3.45Å
1064E34.7Very low38.3Very low130 Ų13086.3 Ų86.361%0.60746%0.458SS*.Hα-helixtrans-67.7-35174.4-167.9175-166.100111.7S1060 K1068S1060-E1064 WeakPolarHBondContact O-CB 2.95Å; S1060-E1064 PolarHBondContact O-N 2.66Å; E1064-K1068 WeakPolarHBondContact O-CB 3.43Å; E1064-K1068 PolarHBondContact O-N 3.06Å
1065S36.6Very low39.3Very low58 Ų5887.1 Ų87.141%0.40646%0.456SS..Hα-helixtrans-71.6-38.9174.3-62.70000112.6V1061 V1062 M1069V1061-S1065 WeakPolarHBondContact O-CB 3.35Å; V1061-S1065 PolarHBondContact O-N 2.71Å; V1061-S1065 PolarHBondContact O-OG 2.68Å; V1062-S1065 PolarHBondContact O-N 2.6Å; S1065-M1069 VanDerWaalsContact O-CB 3.32Å; S1065-M1069 WeakPolarHBondContact O-CB 3.47Å; S1065-M1069 VanDerWaalsContact O-CG 3.29Å; S1065-M1069 WeakPolarHBondContact O-CG 3.26Å; S1065-M1069 PolarHBondContact O-N 3.46Å
1066I42.7Very low39.7Very low66 Ų6684.5 Ų84.534%0.33844%0.443SS..Hα-helixtrans-66.3-43.2174.2-71.3166.7000110.3V1062 D1063 M1069 K1070V1062-I1066 HydrophobicContact CG1-CD1 3.78Å; V1062-I1066 HydrophobicContact CG1-CG1 4.48Å; V1062-I1066 WeakPolarHBondContact O-CB 2.93Å; V1062-I1066 WeakPolarHBondContact O-CD1 3.44Å; V1062-I1066 WeakPolarHBondContact O-CG1 3.41Å; V1062-I1066 PolarHBondContact O-N 2.85Å; D1063-I1066 PolarHBondContact O-N 3.05Å; I1066-M1069 HydrophobicContact CG1-CE 4.45Å; I1066-M1069 PolarHBondContact O-N 3Å; I1066-K1070 HydrophobicContact CG2-CD 4.07Å; I1066-K1070 HydrophobicContact CG2-CG 4.49Å; I1066-K1070 WeakPolarHBondContact O-CB 3.24Å; I1066-K1070 VanDerWaalsContact O-CG 3.28Å; I1066-K1070 WeakPolarHBondContact O-CG 3.25Å; I1066-K1070 PolarHBondContact O-N 2.88Å
1067E45.7Very low40.6Very low97 Ų9783.8 Ų83.845%0.45343%0.431SS..Hα-helixtrans-68-38.3178.3-165.560.1-155.200111.5D1063 K1070 Q1071D1063-E1067 WeakPolarHBondContact O-CB 3.29Å; D1063-E1067 PolarHBondContact O-N 3.45Å; E1067-K1070 PolarHBondContact O-N 2.89Å; E1067-Q1071 WeakPolarHBondContact O-CB 3.29Å; E1067-Q1071 VanDerWaalsContact O-CG 3.24Å; E1067-Q1071 WeakPolarHBondContact O-CG 3.2Å; E1067-Q1071 PolarHBondContact O-N 3.16Å
1068K44.3Very low41.3Very low135 Ų13579.9 Ų79.959%0.58742%0.422SS*.Hα-helixtrans-68.4-36.3173.7-158.4171.8-169.7176.70111.8E1064 L1072E1064-K1068 WeakPolarHBondContact O-CB 3.43Å; E1064-K1068 PolarHBondContact O-N 3.06Å; K1068-L1072 WeakPolarHBondContact O-CB 3.4Å; K1068-L1072 WeakPolarHBondContact O-CG 3.26Å; K1068-L1072 PolarHBondContact O-N 2.71Å
1069M44.8Very low41.9Very low69 Ų6979.8 Ų79.834%0.3442%0.421SS..Hα-helixtrans-68.2-39.4171.2-79.5-167.6-74.800112.6P935 S1065 I1066 L1072 R1073P935-M1069 HydrophobicContact CG-CB 4.37Å; P935-M1069 HydrophobicContact CG-SD 4.15Å; S1065-M1069 VanDerWaalsContact O-CB 3.32Å; S1065-M1069 WeakPolarHBondContact O-CB 3.47Å; S1065-M1069 VanDerWaalsContact O-CG 3.29Å; S1065-M1069 WeakPolarHBondContact O-CG 3.26Å; S1065-M1069 PolarHBondContact O-N 3.46Å; I1066-M1069 HydrophobicContact CG1-CE 4.45Å; I1066-M1069 PolarHBondContact O-N 3Å; M1069-L1072 PolarHBondContact O-N 3.37Å; M1069-R1073 WeakPolarHBondContact O-CB 3.42Å; M1069-R1073 PolarHBondContact O-N 3.12Å
1070K47.8Very low42.6Very low88 Ų8877 Ų7738%0.38342%0.419SS..Hα-helixtrans-65.1-41.3173.1-75.6174.2178.4178.70111.7I1066 E1067 R1073 A1074I1066-K1070 HydrophobicContact CG2-CD 4.07Å; I1066-K1070 HydrophobicContact CG2-CG 4.49Å; I1066-K1070 WeakPolarHBondContact O-CB 3.24Å; I1066-K1070 VanDerWaalsContact O-CG 3.28Å; I1066-K1070 WeakPolarHBondContact O-CG 3.25Å; I1066-K1070 PolarHBondContact O-N 2.88Å; E1067-K1070 PolarHBondContact O-N 2.89Å; K1070-R1073 PolarHBondContact O-N 3.36Å; K1070-A1074 WeakPolarHBondContact O-CB 3.43Å; K1070-A1074 PolarHBondContact O-N 3.16Å
1071Q48.8Very low43Very low107 Ų10778.8 Ų78.850%0.542%0.423SS..Hα-helixtrans-66.3-36.4174.5-75.9176.911.100112.7E1067 K1075E1067-Q1071 WeakPolarHBondContact O-CB 3.29Å; E1067-Q1071 VanDerWaalsContact O-CG 3.24Å; E1067-Q1071 WeakPolarHBondContact O-CG 3.2Å; E1067-Q1071 PolarHBondContact O-N 3.16Å; Q1071-K1075 WeakPolarHBondContact O-CB 3.29Å; Q1071-K1075 PolarHBondContact O-N 3.49Å
1072L47.4Very low43.3Very low66 Ų6680.1 Ų80.135%0.34644%0.437SS..Hα-helixtrans-66.9-41.2172.2-75.6167.3000111.6K1068 M1069 A1076K1068-L1072 WeakPolarHBondContact O-CB 3.4Å; K1068-L1072 WeakPolarHBondContact O-CG 3.26Å; K1068-L1072 PolarHBondContact O-N 2.71Å; M1069-L1072 PolarHBondContact O-N 3.37Å; L1072-A1076 WeakPolarHBondContact O-CB 3.32Å; L1072-A1076 PolarHBondContact O-N 3.33Å
1073R50.5Low43.5Very low27 Ų2781 Ų8110%0.10245%0.446CS..Hα-helixtrans-64.9-40.6175.3-159.3-172.4-95.3164.6-16.6111.7R894 L895 D897 I898 M1069 K1070 L1077R894-R1073 VanDerWaalsContact O-CZ 3.29Å; R894-R1073 PolarHBondContact O-NH2 3.21Å; L895-R1073 WeakPolarHBondContact O-CD 3.48Å; D897-R1073 PolarHBondContact O-NH1 3.15Å; I898-R1073 HydrophobicContact CD1-CG 4.43Å; I898-R1073 HydrophobicContact CG1-CG 3.96Å; I898-R1073 HydrophobicContact CG2-CB 4.5Å; I898-R1073 HydrophobicContact CG2-CG 4.4Å; M1069-R1073 WeakPolarHBondContact O-CB 3.42Å; M1069-R1073 PolarHBondContact O-N 3.12Å; K1070-R1073 PolarHBondContact O-N 3.36Å; R1073-L1077 WeakPolarHBondContact O-CD1 3.26Å
1074A48.5Very low44.1Very low52 Ų5277.7 Ų77.743%0.4343%0.431SS..Hα-helixtrans-71.5-40.2178.900000113.8K1070K1070-A1074 WeakPolarHBondContact O-CB 3.43Å; K1070-A1074 PolarHBondContact O-N 3.16Å
1075K48.5Very low44.8Very low131 Ų13173.8 Ų73.857%0.5742%0.416SS*.Hα-helixtrans-69.5-32.2174-85.3179.4173.8175.20112.7Q1071 L1077 S1078Q1071-K1075 WeakPolarHBondContact O-CB 3.29Å; Q1071-K1075 PolarHBondContact O-N 3.49Å; K1075-L1077 PolarHBondContact O-N 3.07Å; K1075-S1078 PolarHBondContact O-N 3.34Å; K1075-S1078 PolarHBondContact O-OG 3.15Å; K1075-S1078 VanDerWaalsContact O-OG 3.06Å
1076A41.6Very low45.4Very low26 Ų2678.8 Ų78.822%0.21543%0.431CS..THydrogen-bonded Turntrans-71.6-10.2-178.200000115.5K930 L1072K930-A1076 HydrophobicContact CD-CB 4.4Å; K930-A1076 PolarHBondContact NZ-O 2.87Å; K930-A1076 VanDerWaalsContact NZ-O 3.08Å; L1072-A1076 WeakPolarHBondContact O-CB 3.32Å; L1072-A1076 PolarHBondContact O-N 3.33Å
1077L47Very low45.6Very low43 Ų4381.5 Ų81.523%0.22545%0.445CS..THydrogen-bonded Turntrans-112.82.5179.8-87.2100000113.7L896 I898 R1073 K1075L896-L1077 HydrophobicContact CD2-CD2 4.21Å; I898-L1077 HydrophobicContact CD1-CD1 4.06Å; I898-L1077 HydrophobicContact CD1-CD2 4.47Å; R1073-L1077 WeakPolarHBondContact O-CD1 3.26Å; K1075-L1077 PolarHBondContact O-N 3.07Å
1078S43.3Very low46.1Very low66 Ų6679.3 Ų79.346%0.46244%0.435SS..SBendtrans-97.5126.2-178.559.40000113.3K1075K1075-S1078 PolarHBondContact O-N 3.34Å; K1075-S1078 PolarHBondContact O-OG 3.15Å; K1075-S1078 VanDerWaalsContact O-OG 3.06Å
1079S41.9Very low46.8Very low60 Ų6074.6 Ų74.642%0.4242%0.416SS..  trans41.5123.8167.9-167.20000119.4D1081S1079-D1081 VanDerWaalsContact C-N 3.29Å; S1079-D1081 PolarHBondContact O-N 3.45Å
1080P44.9Very low47.3Very low68 Ų6878.7 Ų78.744%0.44243%0.431SS..  trans-80.968.4173.835.8-33.1000111.6
1081D39.9Very low47.8Very low98 Ų9880 Ų8052%0.52444%0.44SS..  trans-90.7122.5164.8-80.9-37.5000109.6S1079 S1083 S1084 T1085S1079-D1081 VanDerWaalsContact C-N 3.29Å; S1079-D1081 PolarHBondContact O-N 3.45Å; D1081-S1083 PolarHBondContact O-N 3.33Å; D1081-S1084 PolarHBondContact O-N 2.93Å; D1081-S1084 PolarHBondContact O-OG 3.32Å; D1081-T1085 PolarHBondContact O-OG1 2.81Å
1082S40.4Very low48.8Very low111 Ų11176.6 Ų76.678%0.77643%0.425SS*.Hα-helixtrans-60.8-13.2-174.560.90000115.1
1083S39.8Very low50.2Low99 Ų9976.5 Ų76.569%0.69243%0.429SS*.Hα-helixtrans-87.4-24.7174.860.90000113.6D1081D1081-S1083 PolarHBondContact O-N 3.33Å
1084S46.5Very low51.7Low35 Ų3578.1 Ų78.125%0.24544%0.441CS..Hα-helixtrans-81.4-31.217766.60000112.3D1081 K1086 L1087 E1088D1081-S1084 PolarHBondContact O-N 2.93Å; D1081-S1084 PolarHBondContact O-OG 3.32Å; S1084-K1086 PolarHBondContact O-N 3.49Å; S1084-L1087 WeakPolarHBondContact O-CB 3.28Å; S1084-L1087 PolarHBondContact O-N 3.22Å; S1084-E1088 PolarHBondContact O-N 3.32Å
1085T50.5Low53.4Low47 Ų4775.6 Ų75.629%0.28842%0.421SS..Hα-helixtrans-60.5-42.9-174.4-18.70000112.5D1081 L1087 E1088 M1089D1081-T1085 PolarHBondContact O-OG1 2.81Å; T1085-L1087 VanDerWaalsContact C-N 3.29Å; T1085-L1087 PolarHBondContact O-N 2.84Å; T1085-E1088 PolarHBondContact O-N 3.42Å; T1085-M1089 HydrophobicContact CG2-SD 4.33Å; T1085-M1089 WeakPolarHBondContact O-CB 3.21Å; T1085-M1089 WeakPolarHBondContact O-CG 3.44Å; T1085-M1089 PolarHBondContact O-N 2.9Å
1086K48.9Very low55.2Low163 Ų16370.6 Ų70.671%0.70940%0.402SS*.Hα-helixtrans-65.5-29.6176.4-84.1-177.2177.7176.60113.6S1084S1084-K1086 PolarHBondContact O-N 3.49Å
1087L46.8Very low57.3Low123 Ų12372.8 Ų72.864%0.64441%0.408SS*.Hα-helixtrans-78.1-40.8177.1-138.295.1000110.2S1084 T1085 K1090 M1091S1084-L1087 WeakPolarHBondContact O-CB 3.28Å; S1084-L1087 PolarHBondContact O-N 3.22Å; T1085-L1087 VanDerWaalsContact C-N 3.29Å; T1085-L1087 PolarHBondContact O-N 2.84Å; L1087-K1090 PolarHBondContact O-N 3.35Å; L1087-M1091 WeakPolarHBondContact O-CG 3.41Å; L1087-M1091 PolarHBondContact O-N 3.31Å
1088E55.2Low59.1Low51 Ų5174.4 Ų74.424%0.23842%0.416CS..Hα-helixtrans-63.9-41.4176.7-76.6179.5-171.100113.1S1084 T1085 K1090 M1091 L1092S1084-E1088 PolarHBondContact O-N 3.32Å; T1085-E1088 PolarHBondContact O-N 3.42Å; E1088-K1090 PolarHBondContact O-N 3.21Å; E1088-M1091 PolarHBondContact O-N 3.32Å; E1088-L1092 PolarHBondContact O-N 2.84Å
1089M58.8Low61.2Low37 Ų3772.3 Ų72.318%0.18240%0.399CS..Hα-helixtrans-61.7-30.4179.2-67.9159.686.800112.7T1085 L1202 L1206T1085-M1089 HydrophobicContact CG2-SD 4.33Å; T1085-M1089 WeakPolarHBondContact O-CB 3.21Å; T1085-M1089 WeakPolarHBondContact O-CG 3.44Å; T1085-M1089 PolarHBondContact O-N 2.9Å; M1089-L1202 HydrophobicContact CB-CD2 4.38Å; M1089-L1202 HydrophobicContact CE-CD2 4.47Å; M1089-L1202 HydrophobicContact CG-CD2 4.05Å; M1089-L1206 HydrophobicContact CE-CD1 2.97Å; M1089-L1206 HydrophobicContact CE-CG 4.47Å
1090K56.3Low63.5Low154 Ų15469.6 Ų69.667%0.6738%0.38SS*.Hα-helixtrans-79.6-17.5176.1-70.3-176.3178-169.40113.9L1087 E1088 E1203L1087-K1090 PolarHBondContact O-N 3.35Å; E1088-K1090 PolarHBondContact O-N 3.21Å; K1090-E1203 VanDerWaalsContact CE-OE1 3.25Å; K1090-E1203 WeakPolarHBondContact CE-OE1 3.27Å; K1090-E1203 VanDerWaalsContact CG-OE1 3.3Å; K1090-E1203 WeakPolarHBondContact CG-OE1 3.44Å
1091M59Low65.6Low115 Ų11570.4 Ų70.457%0.56738%0.379SS*.Hα-helixtrans-95.2-7.5-179.3-67.8-170.272.600113.2L1087 E1088L1087-M1091 WeakPolarHBondContact O-CG 3.41Å; L1087-M1091 PolarHBondContact O-N 3.31Å; E1088-M1091 PolarHBondContact O-N 3.32Å
1092L69.8Low68Low36 Ų3666.8 Ų66.819%0.18836%0.359CS..SBendtrans-73.3139.7178.3-73.8170.6000111.5Y929 K930 E1088 L1202Y929-L1092 HydrophobicContact CD1-CD1 4.36Å; Y929-L1092 HydrophobicContact CE1-CB 4.26Å; K930-L1092 HydrophobicContact CG-CD2 4.28Å; E1088-L1092 PolarHBondContact O-N 2.84Å; L1092-L1202 HydrophobicContact CD1-CD2 3.6Å
1093P76.1Confident70.4Confident65 Ų6561.6 Ų61.642%0.42232%0.323SS..PPolyproline II helixtrans-56.5146173.6-23.632.7000112.2Y929 L933Y929-P1093 WeakPolarHBondContact CE1-O 3.5Å; Y929-P1093 PolarHBondContact OH-O 2.87Å; L933-P1093 HydrophobicContact CD1-CB 4.25Å; L933-P1093 HydrophobicContact CD1-CG 4.35Å
1094V81.8Confident73Confident60 Ų6057.6 Ų57.636%0.36429%0.293SS..PPolyproline II helixtrans-72.9146.4171.1-620000110.8Y929 R1199 N1201Y929-V1094 WeakPolarHBondContact OH-CA 3.23Å; V1094-R1199 HydrophobicContact CB-CB 4.37Å; V1094-R1199 HydrophobicContact CG2-CB 4.18Å; V1094-R1199 HydrophobicContact CG2-CG 3.93Å; V1094-R1199 VanDerWaalsContact CG2-NH1 3.32Å; V1094-N1201 HydrophobicContact CG1-CB 3.94Å
1095M83.7Confident75Confident0 Ų059.7 Ų59.70%030%0.297CS..EExtended strand (participates in β ladder)trans-92.1136.2-174.2-172.3172.2-8000111.1Y929 H932 L933 Q1099 F1100 L1103 R1199 V1200Y929-M1095 HydrophobicContact CD2-CE 3.4Å; Y929-M1095 HydrophobicContact CD2-SD 4.21Å; Y929-M1095 HydrophobicContact CE2-CB 3.75Å; Y929-M1095 HydrophobicContact CE2-CE 3.54Å; Y929-M1095 HydrophobicContact CE2-CG 4.47Å; Y929-M1095 HydrophobicContact CE2-SD 4.06Å; Y929-M1095 HydrophobicContact CG-CE 3.94Å; Y929-M1095 PolarHBondContact OH-N 3.43Å; H932-M1095 HydrophobicContact CB-CE 3.59Å; L933-M1095 HydrophobicContact CD2-CB 4.42Å; L933-M1095 HydrophobicContact CD2-CE 4.23Å; L933-M1095 HydrophobicContact CG-CE 4.43Å; M1095-Q1099 HydrophobicContact CE-CB 4.48Å; M1095-Q1099 HydrophobicContact CG-CB 3.27Å; M1095-Q1099 HydrophobicContact CG-CG 4.43Å; M1095-Q1099 VanDerWaalsContact SD-C 3.55Å; M1095-Q1099 HydrophobicContact SD-CB 4.02Å; M1095-F1100 HydrophobicContact CG-CB 4.28Å; M1095-F1100 WeakPolarHBondContact SD-CA 3.49Å; M1095-F1100 HydrophobicContact SD-CB 4.02Å; M1095-F1100 PolarHBondContact SD-N 3.09Å; M1095-F1100 VanDerWaalsContact SD-N 3.43Å; M1095-L1103 HydrophobicContact CE-CD2 4.11Å; M1095-L1103 HydrophobicContact SD-CB 4.18Å; M1095-L1103 HydrophobicContact SD-CD2 3.93Å; M1095-R1199 WeakPolarHBondContact O-CA 3.46Å; M1095-V1200 HydrophobicContact CB-CG1 4.09Å; M1095-V1200 PolarHBondContact N-O 3.24Å; M1095-V1200 PolarHBondContact O-N 3.46Å; M1095-V1200 VanDerWaalsContact O-N 3.09Å
1096S86.9Confident76.9Confident25 Ų2557.7 Ų57.718%0.17529%0.285CS..EExtended strand (participates in β ladder)trans-75.9167.1172.7760000111.8I1098 Q1099 F1100S1096-I1098 VanDerWaalsContact C-N 3.29Å; S1096-I1098 PolarHBondContact O-N 3.39Å; S1096-Q1099 PolarHBondContact O-N 3.45Å; S1096-Q1099 WeakPolarHBondContact OG-CG 3.24Å; S1096-Q1099 PolarHBondContact OG-N 3.19Å; S1096-F1100 PolarHBondContact O-N 3.25Å
1097Q85.9Confident79.1Confident73 Ų7350 Ų5034%0.34125%0.252SS..Hα-helixtrans-59.9-40.6-179.1-166.7176.511.100112.3F1100 I1101 L1132 W1198Q1097-F1100 PolarHBondContact O-N 3.03Å; Q1097-I1101 HydrophobicContact CG-CD1 4.12Å; Q1097-I1101 VanDerWaalsContact O-CG1 3.26Å; Q1097-I1101 WeakPolarHBondContact O-CG1 3.42Å; Q1097-I1101 PolarHBondContact O-N 3.48Å; Q1097-L1132 HydrophobicContact CG-CD2 4.4Å; Q1097-W1198 HydrophobicContact CB-CB 4.1Å; Q1097-W1198 HydrophobicContact CB-CD2 3.87Å; Q1097-W1198 HydrophobicContact CB-CE3 3.62Å; Q1097-W1198 HydrophobicContact CB-CG 4.1Å; Q1097-W1198 HydrophobicContact CB-CZ3 4.33Å; Q1097-W1198 HydrophobicContact CG-CD2 4.05Å; Q1097-W1198 HydrophobicContact CG-CE3 4.15Å; Q1097-W1198 HydrophobicContact CG-CG 4.28Å; Q1097-W1198 VanDerWaalsContact N-CE3 3.28Å
1098I85.2Confident81.1Confident76 Ų7647.8 Ų47.839%0.3924%0.235SC..Hα-helixtrans-63-46.7178.2-64.4170.2000110.4F937 L942 S1096 F1100 I1101 Q1102F937-I1098 HydrophobicContact CZ-CG2 4.4Å; L942-I1098 HydrophobicContact CD1-CG2 4.03Å; L942-I1098 HydrophobicContact CD2-CG2 4.33Å; S1096-I1098 VanDerWaalsContact C-N 3.29Å; S1096-I1098 PolarHBondContact O-N 3.39Å; I1098-F1100 VanDerWaalsContact C-N 3.31Å; I1098-F1100 PolarHBondContact O-N 2.92Å; I1098-I1101 PolarHBondContact O-N 3.36Å; I1098-Q1102 VanDerWaalsContact O-CG 3.26Å; I1098-Q1102 WeakPolarHBondContact O-CG 3.42Å; I1098-Q1102 PolarHBondContact O-N 3.36Å
1099Q86.8Confident82.7Confident23 Ų2347.8 Ų47.811%0.10724%0.237CC..Hα-helixtrans-63.8-38.8178.5-69.1168.1-17.400111.5H932 F937 M1095 S1096 Q1102 L1103H932-Q1099 WeakPolarHBondContact O-CG 3.41Å; F937-Q1099 HydrophobicContact CD1-CG 4.13Å; F937-Q1099 HydrophobicContact CE1-CG 4Å; F937-Q1099 HydrophobicContact CG-CG 4.5Å; F937-Q1099 HydrophobicContact CZ-CG 4.26Å; M1095-Q1099 HydrophobicContact CE-CB 4.48Å; M1095-Q1099 HydrophobicContact CG-CB 3.27Å; M1095-Q1099 HydrophobicContact CG-CG 4.43Å; M1095-Q1099 VanDerWaalsContact SD-C 3.55Å; M1095-Q1099 HydrophobicContact SD-CB 4.02Å; S1096-Q1099 PolarHBondContact O-N 3.45Å; S1096-Q1099 WeakPolarHBondContact OG-CG 3.24Å; S1096-Q1099 PolarHBondContact OG-N 3.19Å; Q1099-Q1102 PolarHBondContact O-N 3.44Å; Q1099-L1103 PolarHBondContact O-N 2.95Å
1100F91.1Very high84.1Confident3 Ų346.2 Ų46.21%0.01323%0.229CC..Hα-helixtrans-64-45175.8173.3-97.4000112.2M1095 S1096 Q1097 I1098 Q1102 L1103 W1104 L1131 L1132 W1198 V1200 I1205M1095-F1100 HydrophobicContact CG-CB 4.28Å; M1095-F1100 WeakPolarHBondContact SD-CA 3.49Å; M1095-F1100 HydrophobicContact SD-CB 4.02Å; M1095-F1100 PolarHBondContact SD-N 3.09Å; M1095-F1100 VanDerWaalsContact SD-N 3.43Å; S1096-F1100 PolarHBondContact O-N 3.25Å; Q1097-F1100 PolarHBondContact O-N 3.03Å; I1098-F1100 VanDerWaalsContact C-N 3.31Å; I1098-F1100 PolarHBondContact O-N 2.92Å; F1100-Q1102 VanDerWaalsContact C-N 3.26Å; F1100-Q1102 PolarHBondContact O-N 3.45Å; F1100-L1103 WeakPolarHBondContact O-CB 3.19Å; F1100-L1103 PolarHBondContact O-N 2.86Å; F1100-W1104 HydrophobicContact CD2-CE3 4.42Å; F1100-W1104 HydrophobicContact CE2-CD2 4.3Å; F1100-W1104 AromaticContact CE2-CE3 3.55Å; F1100-W1104 HydrophobicContact CE2-CE3 3.55Å; F1100-W1104 AromaticContact CE2-CZ3 3.8Å; F1100-W1104 HydrophobicContact CE2-CZ3 3.8Å; F1100-W1104 AromaticContact CZ-CD2 3.93Å; F1100-W1104 HydrophobicContact CZ-CD2 3.93Å; F1100-W1104 AromaticContact CZ-CE3 3.64Å; F1100-W1104 HydrophobicContact CZ-CE3 3.64Å; F1100-W1104 HydrophobicContact CZ-CG 4.42Å; F1100-W1104 HydrophobicContact CZ-CZ3 4.06Å; F1100-W1104 WeakPolarHBondContact O-CB 3.34Å; F1100-W1104 PolarHBondContact O-N 2.87Å; F1100-L1131 HydrophobicContact CE2-CB 4.12Å; F1100-L1131 HydrophobicContact CE2-CD1 4.02Å; F1100-L1131 HydrophobicContact CZ-CB 3.78Å; F1100-L1131 HydrophobicContact CZ-CD1 4.2Å; F1100-L1132 HydrophobicContact CD1-CD2 3.77Å; F1100-L1132 HydrophobicContact CD1-CG 4.33Å; F1100-L1132 HydrophobicContact CE1-CD1 4.46Å; F1100-L1132 HydrophobicContact CE1-CD2 3.7Å; F1100-L1132 HydrophobicContact CE1-CG 3.74Å; F1100-W1198 HydrophobicContact CB-CH2 3.59Å; F1100-W1198 HydrophobicContact CB-CZ3 3.56Å; F1100-W1198 AromaticContact CD1-CH2 3.68Å; F1100-W1198 HydrophobicContact CD1-CH2 3.68Å; F1100-W1198 HydrophobicContact CD1-CZ2 4.25Å; F1100-W1198 HydrophobicContact CD1-CZ3 4.41Å; F1100-W1198 AromaticContact CD2-CH2 3.95Å; F1100-W1198 HydrophobicContact CD2-CH2 3.95Å; F1100-W1198 HydrophobicContact CE1-CH2 4.38Å; F1100-W1198 AromaticContact CG-CH2 3.43Å; F1100-W1198 HydrophobicContact CG-CH2 3.43Å; F1100-W1198 VanDerWaalsContact CG-CH2 3.43Å; F1100-W1198 HydrophobicContact CG-CZ2 4.4Å; F1100-W1198 AromaticContact CG-CZ3 3.97Å; F1100-W1198 HydrophobicContact CG-CZ3 3.97Å; F1100-V1200 HydrophobicContact CB-CG1 4.33Å; F1100-V1200 HydrophobicContact CD2-CG1 3.85Å; F1100-V1200 HydrophobicContact CG-CG1 4.33Å; F1100-I1205 HydrophobicContact CD2-CD1 4.25Å; F1100-I1205 HydrophobicContact CE2-CD1 4.48Å
1101I89.2Confident85.7Confident84 Ų8439.6 Ų39.643%0.43120%0.201SC..Hα-helixtrans-59.2-41.3175.8-69.5164.3000110.3Q1097 I1098 W1104 K1105Q1097-I1101 HydrophobicContact CG-CD1 4.12Å; Q1097-I1101 VanDerWaalsContact O-CG1 3.26Å; Q1097-I1101 WeakPolarHBondContact O-CG1 3.42Å; Q1097-I1101 PolarHBondContact O-N 3.48Å; I1098-I1101 PolarHBondContact O-N 3.36Å; I1101-W1104 PolarHBondContact O-N 2.78Å; I1101-K1105 WeakPolarHBondContact O-CB 3.05Å; I1101-K1105 PolarHBondContact O-N 2.88Å
1102Q88.9Confident86.3Confident22 Ų2236.7 Ų36.710%0.10319%0.192CC..Hα-helixtrans-68.2-38.2178.2-67.7-67.6-36.600112.7H932 F937 L942 I1098 Q1099 F1100 K1105 T1106H932-Q1102 PolarHBondContact NE2-O 3.28Å; F937-Q1102 HydrophobicContact CE2-CB 4.32Å; F937-Q1102 HydrophobicContact CE2-CG 4.1Å; L942-Q1102 HydrophobicContact CD2-CG 4.17Å; I1098-Q1102 VanDerWaalsContact O-CG 3.26Å; I1098-Q1102 WeakPolarHBondContact O-CG 3.42Å; I1098-Q1102 PolarHBondContact O-N 3.36Å; Q1099-Q1102 PolarHBondContact O-N 3.44Å; F1100-Q1102 VanDerWaalsContact C-N 3.26Å; F1100-Q1102 PolarHBondContact O-N 3.45Å; Q1102-K1105 PolarHBondContact O-N 3.34Å; Q1102-T1106 PolarHBondContact O-N 3.06Å; Q1102-T1106 PolarHBondContact O-OG1 3.27Å
1103L91.6Very high86.2Confident2 Ų237.9 Ų37.91%0.0121%0.213CC..Hα-helixtrans-60.5-46.8171174.366000110.8F928 Y929 H932 M1095 Q1099 F1100 K1105 T1106 F1107 I1205F928-L1103 HydrophobicContact CB-CD1 3.74Å; Y929-L1103 HydrophobicContact CD2-CD2 4.37Å; H932-L1103 HydrophobicContact CB-CB 4.28Å; H932-L1103 PolarHBondContact CD2-N 3.12Å; M1095-L1103 HydrophobicContact CE-CD2 4.11Å; M1095-L1103 HydrophobicContact SD-CB 4.18Å; M1095-L1103 HydrophobicContact SD-CD2 3.93Å; Q1099-L1103 PolarHBondContact O-N 2.95Å; F1100-L1103 WeakPolarHBondContact O-CB 3.19Å; F1100-L1103 PolarHBondContact O-N 2.86Å; L1103-K1105 PolarHBondContact O-N 3.43Å; L1103-T1106 WeakPolarHBondContact O-CB 3.46Å; L1103-T1106 PolarHBondContact O-N 3.47Å; L1103-F1107 HydrophobicContact CD1-CE1 3.95Å; L1103-F1107 HydrophobicContact CD1-CE2 4.29Å; L1103-F1107 HydrophobicContact CD1-CZ 3.7Å; L1103-F1107 HydrophobicContact CD2-CZ 4.47Å; L1103-F1107 HydrophobicContact CG-CE2 4.1Å; L1103-F1107 HydrophobicContact CG-CZ 4.01Å; L1103-F1107 PolarHBondContact O-N 3.07Å; L1103-F1107 VanDerWaalsContact O-N 3.16Å; L1103-I1205 HydrophobicContact CD2-CD1 3.95Å
1104W93.3Very high86Confident16 Ų1641 Ų416%0.06122%0.22CC..Hα-helixtrans-67.2-37-179.3-135.7-107.8000112.3F1100 I1101 T1106 F1107 Y1108 L1124 T1127 G1128 L1131 V1209F1100-W1104 HydrophobicContact CD2-CE3 4.42Å; F1100-W1104 HydrophobicContact CE2-CD2 4.3Å; F1100-W1104 AromaticContact CE2-CE3 3.55Å; F1100-W1104 HydrophobicContact CE2-CE3 3.55Å; F1100-W1104 AromaticContact CE2-CZ3 3.8Å; F1100-W1104 HydrophobicContact CE2-CZ3 3.8Å; F1100-W1104 AromaticContact CZ-CD2 3.93Å; F1100-W1104 HydrophobicContact CZ-CD2 3.93Å; F1100-W1104 AromaticContact CZ-CE3 3.64Å; F1100-W1104 HydrophobicContact CZ-CE3 3.64Å; F1100-W1104 HydrophobicContact CZ-CG 4.42Å; F1100-W1104 HydrophobicContact CZ-CZ3 4.06Å; F1100-W1104 WeakPolarHBondContact O-CB 3.34Å; F1100-W1104 PolarHBondContact O-N 2.87Å; I1101-W1104 PolarHBondContact O-N 2.78Å; W1104-T1106 VanDerWaalsContact C-N 3.34Å; W1104-T1106 PolarHBondContact O-N 3.32Å; W1104-F1107 HydrophobicContact CD2-CD2 4.2Å; W1104-F1107 AromaticContact CE3-CD2 3.82Å; W1104-F1107 HydrophobicContact CE3-CD2 3.82Å; W1104-F1107 AromaticContact CE3-CE2 3.92Å; W1104-F1107 HydrophobicContact CE3-CE2 3.92Å; W1104-F1107 AromaticContact CZ3-CD2 4Å; W1104-F1107 HydrophobicContact CZ3-CD2 4Å; W1104-F1107 AromaticContact CZ3-CE2 3.81Å; W1104-F1107 HydrophobicContact CZ3-CE2 3.81Å; W1104-F1107 PolarHBondContact O-N 3.41Å; W1104-Y1108 AromaticContact CD1-CE2 3.67Å; W1104-Y1108 VanDerWaalsContact O-CD2 3.27Å; W1104-Y1108 WeakPolarHBondContact O-CD2 3.43Å; W1104-Y1108 PolarHBondContact O-N 3.41Å; W1104-Y1108 VanDerWaalsContact O-N 3.12Å; W1104-L1124 HydrophobicContact CZ2-CD2 4.01Å; W1104-L1124 WeakPolarHBondContact CZ2-O 3.33Å; W1104-L1124 PolarHBondContact NE1-O 2.89Å; W1104-T1127 HydrophobicContact CH2-CG2 4.1Å; W1104-T1127 HydrophobicContact CZ2-CG2 4.24Å; W1104-G1128 VanDerWaalsContact CZ2-CA 3.4Å; W1104-G1128 VanDerWaalsContact CZ2-N 3.31Å; W1104-L1131 HydrophobicContact CH2-CD1 3.61Å; W1104-L1131 HydrophobicContact CZ2-CD1 4.47Å; W1104-L1131 HydrophobicContact CZ3-CD1 3.8Å; W1104-V1209 HydrophobicContact CH2-CG2 3.91Å; W1104-V1209 HydrophobicContact CZ3-CG2 4.43Å
1105K89.8Confident85.3Confident78 Ų7846.1 Ų46.134%0.33924%0.24SC..Hα-helixtrans-58.6-44.9170.5-175.7176.2179.5176.50111.3I1101 Q1102 L1103 F1107 Y1108 D1109I1101-K1105 WeakPolarHBondContact O-CB 3.05Å; I1101-K1105 PolarHBondContact O-N 2.88Å; Q1102-K1105 PolarHBondContact O-N 3.34Å; L1103-K1105 PolarHBondContact O-N 3.43Å; K1105-F1107 VanDerWaalsContact C-N 3.26Å; K1105-F1107 PolarHBondContact O-N 3.43Å; K1105-Y1108 PolarHBondContact O-N 3.41Å; K1105-Y1108 VanDerWaalsContact O-N 3.09Å; K1105-D1109 VanDerWaalsContact O-CG 3.27Å; K1105-D1109 PolarHBondContact O-N 3.11Å
1106T91Very high84.6Confident6 Ų651.7 Ų51.74%0.03727%0.274CS..Hα-helixtrans-58.1-39.1175.6-59.50000111.8F888 F928 H932 Q1102 L1103 W1104 D1109 M1110F888-T1106 HydrophobicContact CB-CG2 4.4Å; F888-T1106 HydrophobicContact CD2-CG2 3.63Å; F888-T1106 HydrophobicContact CE2-CG2 4.14Å; F888-T1106 HydrophobicContact CG-CG2 4.07Å; F928-T1106 HydrophobicContact CD1-CG2 4.28Å; F928-T1106 HydrophobicContact CE1-CG2 4.36Å; H932-T1106 PolarHBondContact CE1-OG1 3.45Å; H932-T1106 VanDerWaalsContact CE1-OG1 3.26Å; H932-T1106 PolarHBondContact NE2-OG1 3.06Å; Q1102-T1106 PolarHBondContact O-N 3.06Å; Q1102-T1106 PolarHBondContact O-OG1 3.27Å; L1103-T1106 WeakPolarHBondContact O-CB 3.46Å; L1103-T1106 PolarHBondContact O-N 3.47Å; W1104-T1106 VanDerWaalsContact C-N 3.34Å; W1104-T1106 PolarHBondContact O-N 3.32Å; T1106-D1109 PolarHBondContact O-N 3.43Å; T1106-M1110 VanDerWaalsContact O-CG 3.3Å; T1106-M1110 WeakPolarHBondContact O-CG 3.11Å; T1106-M1110 PolarHBondContact O-N 3.49Å
1107F93.1Very high84.4Confident2 Ų252.4 Ų52.41%0.00928%0.275CS..Hα-helixtrans-66.6-36.1176-64.4-21.7000113.2L925 F928 L1103 W1104 K1105 M1110 L1124 F1219L925-F1107 HydrophobicContact CD2-CE1 4.23Å; L925-F1107 HydrophobicContact CD2-CE2 4.13Å; L925-F1107 HydrophobicContact CD2-CZ 3.53Å; F928-F1107 HydrophobicContact CB-CE1 3.83Å; F928-F1107 HydrophobicContact CB-CZ 4.23Å; F928-F1107 HydrophobicContact CD1-CE1 4.22Å; F928-F1107 AromaticContact CD2-CE1 3.86Å; F928-F1107 HydrophobicContact CD2-CE1 3.86Å; F928-F1107 AromaticContact CG-CE1 3.73Å; F928-F1107 HydrophobicContact CG-CE1 3.73Å; L1103-F1107 HydrophobicContact CD1-CE1 3.95Å; L1103-F1107 HydrophobicContact CD1-CE2 4.29Å; L1103-F1107 HydrophobicContact CD1-CZ 3.7Å; L1103-F1107 HydrophobicContact CD2-CZ 4.47Å; L1103-F1107 HydrophobicContact CG-CE2 4.1Å; L1103-F1107 HydrophobicContact CG-CZ 4.01Å; L1103-F1107 PolarHBondContact O-N 3.07Å; L1103-F1107 VanDerWaalsContact O-N 3.16Å; W1104-F1107 HydrophobicContact CD2-CD2 4.2Å; W1104-F1107 AromaticContact CE3-CD2 3.82Å; W1104-F1107 HydrophobicContact CE3-CD2 3.82Å; W1104-F1107 AromaticContact CE3-CE2 3.92Å; W1104-F1107 HydrophobicContact CE3-CE2 3.92Å; W1104-F1107 AromaticContact CZ3-CD2 4Å; W1104-F1107 HydrophobicContact CZ3-CD2 4Å; W1104-F1107 AromaticContact CZ3-CE2 3.81Å; W1104-F1107 HydrophobicContact CZ3-CE2 3.81Å; W1104-F1107 PolarHBondContact O-N 3.41Å; K1105-F1107 VanDerWaalsContact C-N 3.26Å; K1105-F1107 PolarHBondContact O-N 3.43Å; F1107-M1110 HydrophobicContact CD1-SD 4.15Å; F1107-L1124 HydrophobicContact CB-CD1 4.4Å; F1107-L1124 HydrophobicContact CB-CD2 3.7Å; F1107-L1124 HydrophobicContact CD2-CD2 3.96Å; F1107-L1124 HydrophobicContact CG-CD2 4.25Å; F1107-F1219 HydrophobicContact CD1-CE1 4.31Å; F1107-F1219 AromaticContact CD1-CZ 3.83Å; F1107-F1219 HydrophobicContact CD1-CZ 3.83Å; F1107-F1219 HydrophobicContact CD2-CZ 4.35Å; F1107-F1219 HydrophobicContact CE1-CE1 4.06Å; F1107-F1219 AromaticContact CE1-CZ 3.78Å; F1107-F1219 HydrophobicContact CE1-CZ 3.78Å; F1107-F1219 HydrophobicContact CE2-CZ 4.31Å; F1107-F1219 HydrophobicContact CG-CZ 4.13Å; F1107-F1219 HydrophobicContact CZ-CZ 4.03Å
1108Y90.2Very high84.3Confident76 Ų7655.2 Ų55.230%0.29829%0.288SS..Hα-helixtrans-67.5-42.7172-76.9-64000112.2W1104 K1105 M1110 L1111 F1121 L1124 A1125W1104-Y1108 AromaticContact CD1-CE2 3.67Å; W1104-Y1108 VanDerWaalsContact O-CD2 3.27Å; W1104-Y1108 WeakPolarHBondContact O-CD2 3.43Å; W1104-Y1108 PolarHBondContact O-N 3.41Å; W1104-Y1108 VanDerWaalsContact O-N 3.12Å; K1105-Y1108 PolarHBondContact O-N 3.41Å; K1105-Y1108 VanDerWaalsContact O-N 3.09Å; Y1108-M1110 PolarHBondContact O-N 2.97Å; Y1108-L1111 WeakPolarHBondContact O-CB 3.34Å; Y1108-L1111 PolarHBondContact O-N 3.3Å; Y1108-F1121 AromaticContact CD1-CD1 3.69Å; Y1108-F1121 HydrophobicContact CD1-CD1 3.69Å; Y1108-F1121 AromaticContact CD1-CE1 3.85Å; Y1108-F1121 HydrophobicContact CD1-CE1 3.85Å; Y1108-F1121 AromaticContact CE1-CD1 3.9Å; Y1108-F1121 HydrophobicContact CE1-CD1 3.9Å; Y1108-F1121 HydrophobicContact CE1-CE1 4.49Å; Y1108-L1124 HydrophobicContact CE1-CB 4.06Å; Y1108-A1125 VanDerWaalsContact OH-CA 3.24Å; Y1108-A1125 WeakPolarHBondContact OH-CA 3.1Å; Y1108-A1125 WeakPolarHBondContact OH-CB 3.48Å; Y1108-A1125 PolarHBondContact OH-N 3.09Å
1109D88.4Confident84.3Confident50 Ų5054.8 Ų54.827%0.26729%0.292SS..Hα-helixtrans-62.6-22.6179.4-67.4-21.9000112.7P883 T885 K1105 T1106 L1111P883-D1109 WeakPolarHBondContact CG-O 3.28Å; T885-D1109 HydrophobicContact CG2-CB 4.03Å; T885-D1109 WeakPolarHBondContact CG2-OD2 3.37Å; K1105-D1109 VanDerWaalsContact O-CG 3.27Å; K1105-D1109 PolarHBondContact O-N 3.11Å; T1106-D1109 PolarHBondContact O-N 3.43Å; D1109-L1111 PolarHBondContact O-N 3Å
1110M89.1Confident84.4Confident5 Ų554.3 Ų54.33%0.02529%0.29CS..THydrogen-bonded Turntrans-72.2-13.7174.5-72.4169.760.400113.7W882 P883 F928 T1106 F1107 Y1108 F1218 F1219W882-M1110 HydrophobicContact CB-CB 4.02Å; W882-M1110 HydrophobicContact CB-CG 4.41Å; W882-M1110 WeakPolarHBondContact CB-O 3.38Å; W882-M1110 HydrophobicContact CD2-CE 3.64Å; W882-M1110 HydrophobicContact CE3-CE 4Å; W882-M1110 HydrophobicContact CG-CB 4.14Å; W882-M1110 HydrophobicContact CG-CE 3.93Å; W882-M1110 HydrophobicContact CG-CG 4.06Å; W882-M1110 HydrophobicContact CZ2-CE 4.27Å; W882-M1110 HydrophobicContact CZ3-CE 4.48Å; P883-M1110 WeakPolarHBondContact CD-O 3.45Å; P883-M1110 WeakPolarHBondContact O-CA 3.49Å; F928-M1110 HydrophobicContact CE1-CE 4.46Å; F928-M1110 HydrophobicContact CE1-SD 3.68Å; F928-M1110 HydrophobicContact CE2-CE 4.22Å; F928-M1110 HydrophobicContact CE2-SD 4.26Å; F928-M1110 HydrophobicContact CZ-CE 3.68Å; F928-M1110 HydrophobicContact CZ-SD 3.49Å; F928-M1110 WeakPolarHBondContact CZ-SD 3.35Å; T1106-M1110 VanDerWaalsContact O-CG 3.3Å; T1106-M1110 WeakPolarHBondContact O-CG 3.11Å; T1106-M1110 PolarHBondContact O-N 3.49Å; F1107-M1110 HydrophobicContact CD1-SD 4.15Å; Y1108-M1110 PolarHBondContact O-N 2.97Å; M1110-F1218 HydrophobicContact CE-CE1 4.03Å; M1110-F1218 HydrophobicContact CE-CZ 4.23Å; M1110-F1219 HydrophobicContact CE-CE1 4.41Å
1111L88.6Confident84.3Confident14 Ų1457.3 Ų57.37%0.07330%0.303CS..  trans-93.1137.1-177.5-58.4179.1000110.5Y1108 D1109 G1113 V1120 F1121 L1124 F1218Y1108-L1111 WeakPolarHBondContact O-CB 3.34Å; Y1108-L1111 PolarHBondContact O-N 3.3Å; D1109-L1111 PolarHBondContact O-N 3Å; L1111-G1113 VanDerWaalsContact C-N 3.35Å; L1111-G1113 PolarHBondContact O-N 3.37Å; L1111-V1120 HydrophobicContact CD1-CG1 4.31Å; L1111-V1120 HydrophobicContact CD2-CG1 4.04Å; L1111-F1121 HydrophobicContact CB-CD2 4.38Å; L1111-F1121 HydrophobicContact CB-CE1 3.92Å; L1111-F1121 HydrophobicContact CB-CE2 3.53Å; L1111-F1121 HydrophobicContact CB-CZ 3.25Å; L1111-F1121 HydrophobicContact CD1-CB 4.47Å; L1111-F1121 HydrophobicContact CD1-CD1 3.55Å; L1111-F1121 HydrophobicContact CD1-CD2 3.66Å; L1111-F1121 HydrophobicContact CD1-CE1 3.54Å; L1111-F1121 HydrophobicContact CD1-CE2 3.65Å; L1111-F1121 HydrophobicContact CD1-CG 3.61Å; L1111-F1121 HydrophobicContact CD1-CZ 3.6Å; L1111-F1121 HydrophobicContact CG-CE1 4.34Å; L1111-F1121 HydrophobicContact CG-CE2 4.21Å; L1111-F1121 HydrophobicContact CG-CZ 4.06Å; L1111-L1124 HydrophobicContact CD1-CD1 3.69Å; L1111-F1218 HydrophobicContact CD2-CE2 3.84Å; L1111-F1218 HydrophobicContact CD2-CZ 3.9Å
1112S73Confident84.3Confident54 Ų5459.4 Ų59.438%0.37831%0.311SS..  trans-914.8-171.564.40000114.2K1114 E1117S1112-K1114 VanDerWaalsContact C-N 3.26Å; S1112-K1114 PolarHBondContact O-N 3.35Å; S1112-K1114 WeakPolarHBondContact OG-CD 3.31Å; S1112-K1114 WeakPolarHBondContact OG-CG 3.25Å; S1112-E1117 PolarHBondContact N-OE2 2.73Å; S1112-E1117 PolarHBondContact OG-OE1 2.97Å; S1112-E1117 PolarHBondContact OG-OE2 3.42Å
1113G65.7Low84.4Confident62 Ų6258.6 Ų58.664%0.63931%0.308SS*.  trans72.113.3-179.800000114.6L1111L1111-G1113 VanDerWaalsContact C-N 3.35Å; L1111-G1113 PolarHBondContact O-N 3.37Å
1114K73.8Confident84.4Confident131 Ų13158.6 Ų58.657%0.5731%0.308SS*.  trans-75.4146.7178.4-68.6174.1-172.7162.20110.9S1112 T1116 E1117S1112-K1114 VanDerWaalsContact C-N 3.26Å; S1112-K1114 PolarHBondContact O-N 3.35Å; S1112-K1114 WeakPolarHBondContact OG-CD 3.31Å; S1112-K1114 WeakPolarHBondContact OG-CG 3.25Å; K1114-T1116 PolarHBondContact O-N 2.72Å; K1114-E1117 PolarHBondContact O-N 3.46Å
1115E65.9Low84.3Confident167 Ų16759.6 Ų59.678%0.7832%0.319SS*.G310 helixtrans-53.2-30.5178-68.9-178.5168.200113.2E1117 Q1118E1115-E1117 PolarHBondContact O-N 3.23Å; E1115-Q1118 PolarHBondContact O-N 2.92Å
1116T69.6Low84.3Confident116 Ų11658.6 Ų58.671%0.71232%0.32SS*.G310 helixtrans-68.2-11.8177.6550000114.6K1114K1114-T1116 PolarHBondContact O-N 2.72Å
1117E81.9Confident84.3Confident40 Ų4058.5 Ų58.519%0.18732%0.319CS..G310 helixtrans-106.8-0.4-176.1-65.2173169.600112.6S1112 K1114 E1115 S1119 V1120 F1121S1112-E1117 PolarHBondContact N-OE2 2.73Å; S1112-E1117 PolarHBondContact OG-OE1 2.97Å; S1112-E1117 PolarHBondContact OG-OE2 3.42Å; K1114-E1117 PolarHBondContact O-N 3.46Å; E1115-E1117 PolarHBondContact O-N 3.23Å; E1117-S1119 VanDerWaalsContact C-N 3.29Å; E1117-S1119 PolarHBondContact O-N 3.47Å; E1117-V1120 WeakPolarHBondContact O-CB 3.44Å; E1117-V1120 PolarHBondContact O-N 2.82Å; E1117-F1121 HydrophobicContact CB-CD2 4.41Å; E1117-F1121 HydrophobicContact CB-CE2 4.38Å; E1117-F1121 WeakPolarHBondContact O-CD2 3.01Å; E1117-F1121 PolarHBondContact O-N 3.26Å
1118Q83.2Confident84.2Confident132 Ų13258.6 Ų58.662%0.61732%0.32SS*.Hα-helixtrans-58.4-36.6-178.1-75-176.6-10.100113.7E1115 V1120 F1121 H1122E1115-Q1118 PolarHBondContact O-N 2.92Å; Q1118-V1120 VanDerWaalsContact C-N 3.32Å; Q1118-V1120 PolarHBondContact O-N 2.87Å; Q1118-F1121 PolarHBondContact O-N 2.87Å; Q1118-H1122 PolarHBondContact O-N 2.9Å
1119S86.1Confident84.2Confident67 Ų6758.6 Ų58.647%0.46933%0.328SS..Hα-helixtrans-65.1-36.7175.755.50000112.2E1117 H1122 S1123E1117-S1119 VanDerWaalsContact C-N 3.29Å; E1117-S1119 PolarHBondContact O-N 3.47Å; S1119-H1122 PolarHBondContact O-N 2.85Å; S1119-S1123 WeakPolarHBondContact O-CB 3.26Å; S1119-S1123 PolarHBondContact O-N 3.33Å; S1119-S1123 PolarHBondContact O-OG 3.25Å
1120V88.7Confident84.2Confident13 Ų1360.8 Ų60.88%0.07934%0.34CS..Hα-helixtrans-69.4-42.2177.8-174.30000110.3L1111 E1117 Q1118 H1122 S1123 L1124 T1214 L1215 F1218L1111-V1120 HydrophobicContact CD1-CG1 4.31Å; L1111-V1120 HydrophobicContact CD2-CG1 4.04Å; E1117-V1120 WeakPolarHBondContact O-CB 3.44Å; E1117-V1120 PolarHBondContact O-N 2.82Å; Q1118-V1120 VanDerWaalsContact C-N 3.32Å; Q1118-V1120 PolarHBondContact O-N 2.87Å; V1120-H1122 VanDerWaalsContact C-N 3.35Å; V1120-H1122 PolarHBondContact O-N 3.35Å; V1120-S1123 PolarHBondContact O-N 2.91Å; V1120-L1124 HydrophobicContact CG1-CD1 4.13Å; V1120-L1124 WeakPolarHBondContact O-CB 3.46Å; V1120-L1124 PolarHBondContact O-N 2.69Å; V1120-T1214 HydrophobicContact CB-CG2 4.46Å; V1120-T1214 HydrophobicContact CG2-CG2 3.91Å; V1120-L1215 HydrophobicContact CG1-CD2 3.97Å; V1120-F1218 HydrophobicContact CG1-CB 4.33Å; V1120-F1218 HydrophobicContact CG1-CD2 4.03Å; V1120-F1218 HydrophobicContact CG1-CE2 4.5Å; V1120-F1218 HydrophobicContact CG1-CG 4.05Å; V1120-F1218 HydrophobicContact CG2-CD2 4.32Å
1121F88.6Confident84.2Confident66 Ų6660.6 Ų60.629%0.28934%0.339SS..Hα-helixtrans-56.5-47.5172.9-85.7-75.9000112Y1108 L1111 E1117 Q1118 L1124 A1125Y1108-F1121 AromaticContact CD1-CD1 3.69Å; Y1108-F1121 HydrophobicContact CD1-CD1 3.69Å; Y1108-F1121 AromaticContact CD1-CE1 3.85Å; Y1108-F1121 HydrophobicContact CD1-CE1 3.85Å; Y1108-F1121 AromaticContact CE1-CD1 3.9Å; Y1108-F1121 HydrophobicContact CE1-CD1 3.9Å; Y1108-F1121 HydrophobicContact CE1-CE1 4.49Å; L1111-F1121 HydrophobicContact CB-CD2 4.38Å; L1111-F1121 HydrophobicContact CB-CE1 3.92Å; L1111-F1121 HydrophobicContact CB-CE2 3.53Å; L1111-F1121 HydrophobicContact CB-CZ 3.25Å; L1111-F1121 HydrophobicContact CD1-CB 4.47Å; L1111-F1121 HydrophobicContact CD1-CD1 3.55Å; L1111-F1121 HydrophobicContact CD1-CD2 3.66Å; L1111-F1121 HydrophobicContact CD1-CE1 3.54Å; L1111-F1121 HydrophobicContact CD1-CE2 3.65Å; L1111-F1121 HydrophobicContact CD1-CG 3.61Å; L1111-F1121 HydrophobicContact CD1-CZ 3.6Å; L1111-F1121 HydrophobicContact CG-CE1 4.34Å; L1111-F1121 HydrophobicContact CG-CE2 4.21Å; L1111-F1121 HydrophobicContact CG-CZ 4.06Å; E1117-F1121 HydrophobicContact CB-CD2 4.41Å; E1117-F1121 HydrophobicContact CB-CE2 4.38Å; E1117-F1121 WeakPolarHBondContact O-CD2 3.01Å; E1117-F1121 PolarHBondContact O-N 3.26Å; Q1118-F1121 PolarHBondContact O-N 2.87Å; F1121-L1124 PolarHBondContact O-N 2.97Å; F1121-A1125 PolarHBondContact O-N 2.87Å; F1121-A1125 VanDerWaalsContact O-N 3.09Å
1122H89.9Confident84.1Confident129 Ų12961.9 Ų61.960%0.59735%0.345SS*.Hα-helixtrans-63.4-48179.4-176.270.4000111.8Q1118 S1119 V1120 L1124 A1125 V1126Q1118-H1122 PolarHBondContact O-N 2.9Å; S1119-H1122 PolarHBondContact O-N 2.85Å; V1120-H1122 VanDerWaalsContact C-N 3.35Å; V1120-H1122 PolarHBondContact O-N 3.35Å; H1122-L1124 VanDerWaalsContact C-N 3.34Å; H1122-L1124 PolarHBondContact O-N 2.93Å; H1122-A1125 PolarHBondContact O-N 2.91Å; H1122-V1126 WeakPolarHBondContact O-CG2 3.42Å; H1122-V1126 PolarHBondContact O-N 3.28Å
1123S91Very high84.6Confident4 Ų464.1 Ų64.13%0.02835%0.35CS..Hα-helixtrans-61.5-39.6177.3-70.80000112.2S1119 V1120 A1125 V1126 T1127 E1212 T1214S1119-S1123 WeakPolarHBondContact O-CB 3.26Å; S1119-S1123 PolarHBondContact O-N 3.33Å; S1119-S1123 PolarHBondContact O-OG 3.25Å; V1120-S1123 PolarHBondContact O-N 2.91Å; S1123-A1125 PolarHBondContact O-N 2.79Å; S1123-V1126 PolarHBondContact O-N 3.07Å; S1123-T1127 WeakPolarHBondContact O-CB 3.09Å; S1123-T1127 PolarHBondContact O-N 3.32Å; S1123-T1127 PolarHBondContact O-OG1 3.31Å; S1123-E1212 WeakPolarHBondContact CB-OE1 3.21Å; S1123-E1212 PolarHBondContact OG-OE1 3.29Å; S1123-T1214 WeakPolarHBondContact OG-CB 3.44Å; S1123-T1214 PolarHBondContact OG-OG1 2.97Å
1124L92.1Very high85.5Confident3 Ų364.5 Ų64.52%0.01634%0.337CS..Hα-helixtrans-59.9-42.4173.8-89.5159.8000112.2W1104 F1107 Y1108 L1111 V1120 F1121 H1122 G1128 L1215W1104-L1124 HydrophobicContact CZ2-CD2 4.01Å; W1104-L1124 WeakPolarHBondContact CZ2-O 3.33Å; W1104-L1124 PolarHBondContact NE1-O 2.89Å; F1107-L1124 HydrophobicContact CB-CD1 4.4Å; F1107-L1124 HydrophobicContact CB-CD2 3.7Å; F1107-L1124 HydrophobicContact CD2-CD2 3.96Å; F1107-L1124 HydrophobicContact CG-CD2 4.25Å; Y1108-L1124 HydrophobicContact CE1-CB 4.06Å; L1111-L1124 HydrophobicContact CD1-CD1 3.69Å; V1120-L1124 HydrophobicContact CG1-CD1 4.13Å; V1120-L1124 WeakPolarHBondContact O-CB 3.46Å; V1120-L1124 PolarHBondContact O-N 2.69Å; F1121-L1124 PolarHBondContact O-N 2.97Å; H1122-L1124 VanDerWaalsContact C-N 3.34Å; H1122-L1124 PolarHBondContact O-N 2.93Å; L1124-G1128 PolarHBondContact O-N 2.92Å; L1124-L1215 HydrophobicContact CB-CD2 4.48Å; L1124-L1215 HydrophobicContact CD2-CD2 4.37Å; L1124-L1215 HydrophobicContact CG-CD2 3.73Å
1125A89.8Confident85.8Confident36 Ų3658.3 Ų58.330%0.29831%0.31SS..Hα-helixtrans-65.4-45.1178.700000112Y1108 F1121 H1122 S1123 T1129Y1108-A1125 VanDerWaalsContact OH-CA 3.24Å; Y1108-A1125 WeakPolarHBondContact OH-CA 3.1Å; Y1108-A1125 WeakPolarHBondContact OH-CB 3.48Å; Y1108-A1125 PolarHBondContact OH-N 3.09Å; F1121-A1125 PolarHBondContact O-N 2.87Å; F1121-A1125 VanDerWaalsContact O-N 3.09Å; H1122-A1125 PolarHBondContact O-N 2.91Å; S1123-A1125 PolarHBondContact O-N 2.79Å; A1125-T1129 WeakPolarHBondContact O-CB 3.22Å; A1125-T1129 PolarHBondContact O-N 2.61Å; A1125-T1129 PolarHBondContact O-OG1 3.4Å
1126V90.6Very high86.6Confident58 Ų5853 Ų5335%0.35229%0.286SS..Hα-helixtrans-64.6-52.3179174.50000110.7H1122 S1123 G1128 T1129 L1130H1122-V1126 WeakPolarHBondContact O-CG2 3.42Å; H1122-V1126 PolarHBondContact O-N 3.28Å; S1123-V1126 PolarHBondContact O-N 3.07Å; V1126-G1128 VanDerWaalsContact C-N 3.33Å; V1126-G1128 PolarHBondContact O-N 2.98Å; V1126-T1129 PolarHBondContact O-N 3.45Å; V1126-L1130 HydrophobicContact CG1-CD1 4.16Å; V1126-L1130 WeakPolarHBondContact O-CG 3.43Å; V1126-L1130 PolarHBondContact O-N 3.4Å
1127T92.1Very high87Confident4 Ų450.6 Ų50.63%0.02527%0.271CS..Hα-helixtrans-63.2-38.5-179.8-56.50000111.9W1104 S1123 L1130 L1131 V1209 L1215W1104-T1127 HydrophobicContact CH2-CG2 4.1Å; W1104-T1127 HydrophobicContact CZ2-CG2 4.24Å; S1123-T1127 WeakPolarHBondContact O-CB 3.09Å; S1123-T1127 PolarHBondContact O-N 3.32Å; S1123-T1127 PolarHBondContact O-OG1 3.31Å; T1127-L1130 PolarHBondContact O-N 3.04Å; T1127-L1131 HydrophobicContact CG2-CD1 4.14Å; T1127-L1131 WeakPolarHBondContact O-CG 3.42Å; T1127-L1131 PolarHBondContact O-N 2.94Å; T1127-V1209 HydrophobicContact CG2-CG2 4.21Å; T1127-L1215 HydrophobicContact CG2-CD1 4.18Å; T1127-L1215 WeakPolarHBondContact OG1-CD1 3.44Å
1128G90.7Very high86.6Confident3 Ų352.6 Ų52.63%0.03128%0.28CS..Hα-helixtrans-63.7-42.317700000112.8W1104 L1124 V1126 L1131 L1132W1104-G1128 VanDerWaalsContact CZ2-CA 3.4Å; W1104-G1128 VanDerWaalsContact CZ2-N 3.31Å; L1124-G1128 PolarHBondContact O-N 2.92Å; V1126-G1128 VanDerWaalsContact C-N 3.33Å; V1126-G1128 PolarHBondContact O-N 2.98Å; G1128-L1131 PolarHBondContact O-N 2.86Å; G1128-L1132 WeakPolarHBondContact O-CG 3.24Å; G1128-L1132 PolarHBondContact O-N 3.19Å
1129T89.7Confident86.3Confident76 Ų7650.1 Ų50.147%0.46627%0.265SS..Hα-helixtrans-63.7-43.5176.6-550000111.3A1125 V1126 L1131 L1132 Q1133A1125-T1129 WeakPolarHBondContact O-CB 3.22Å; A1125-T1129 PolarHBondContact O-N 2.61Å; A1125-T1129 PolarHBondContact O-OG1 3.4Å; V1126-T1129 PolarHBondContact O-N 3.45Å; T1129-L1131 VanDerWaalsContact C-N 3.33Å; T1129-L1131 PolarHBondContact O-N 2.94Å; T1129-L1132 PolarHBondContact O-N 2.82Å; T1129-Q1133 WeakPolarHBondContact O-CG 3.34Å; T1129-Q1133 PolarHBondContact O-N 2.92Å
1130L87.4Confident85.7Confident97 Ų9751.7 Ų51.751%0.50827%0.265SS..Hα-helixtrans-62.5-39.9176.5-70.7172.1000112.1V1126 T1127 Q1133 L1134V1126-L1130 HydrophobicContact CG1-CD1 4.16Å; V1126-L1130 WeakPolarHBondContact O-CG 3.43Å; V1126-L1130 PolarHBondContact O-N 3.4Å; T1127-L1130 PolarHBondContact O-N 3.04Å; L1130-Q1133 PolarHBondContact O-N 2.99Å; L1130-L1134 VanDerWaalsContact O-CB 3.27Å; L1130-L1134 WeakPolarHBondContact O-CB 3.42Å; L1130-L1134 PolarHBondContact O-N 3.04Å
1131L88.9Confident84.8Confident0 Ų056.4 Ų56.40%029%0.289CS..Hα-helixtrans-68.1-37.7176.7-79.2168.9000112.6F1100 W1104 T1127 G1128 T1129 L1134 G1135 V1200 I1205 S1208F1100-L1131 HydrophobicContact CE2-CB 4.12Å; F1100-L1131 HydrophobicContact CE2-CD1 4.02Å; F1100-L1131 HydrophobicContact CZ-CB 3.78Å; F1100-L1131 HydrophobicContact CZ-CD1 4.2Å; W1104-L1131 HydrophobicContact CH2-CD1 3.61Å; W1104-L1131 HydrophobicContact CZ2-CD1 4.47Å; W1104-L1131 HydrophobicContact CZ3-CD1 3.8Å; T1127-L1131 HydrophobicContact CG2-CD1 4.14Å; T1127-L1131 WeakPolarHBondContact O-CG 3.42Å; T1127-L1131 PolarHBondContact O-N 2.94Å; G1128-L1131 PolarHBondContact O-N 2.86Å; T1129-L1131 VanDerWaalsContact C-N 3.33Å; T1129-L1131 PolarHBondContact O-N 2.94Å; L1131-L1134 HydrophobicContact CD2-CD2 4.4Å; L1131-L1134 PolarHBondContact O-N 3.01Å; L1131-G1135 PolarHBondContact O-N 2.99Å; L1131-V1200 HydrophobicContact CD2-CG2 4.29Å; L1131-I1205 HydrophobicContact CD1-CG1 4.36Å; L1131-S1208 VanDerWaalsContact CD2-OG 3.26Å; L1131-S1208 WeakPolarHBondContact CD2-OG 3.31Å
1132L87.4Confident83.8Confident41 Ų4156.8 Ų56.822%0.21529%0.292CS..Hα-helixtrans-61.4-48.7172.9-74.8169.6000111.5Q1097 F1100 G1128 T1129 L1134 G1135 E1136 W1198Q1097-L1132 HydrophobicContact CG-CD2 4.4Å; F1100-L1132 HydrophobicContact CD1-CD2 3.77Å; F1100-L1132 HydrophobicContact CD1-CG 4.33Å; F1100-L1132 HydrophobicContact CE1-CD1 4.46Å; F1100-L1132 HydrophobicContact CE1-CD2 3.7Å; F1100-L1132 HydrophobicContact CE1-CG 3.74Å; G1128-L1132 WeakPolarHBondContact O-CG 3.24Å; G1128-L1132 PolarHBondContact O-N 3.19Å; T1129-L1132 PolarHBondContact O-N 2.82Å; L1132-L1134 VanDerWaalsContact C-N 3.33Å; L1132-L1134 PolarHBondContact O-N 3.07Å; L1132-G1135 PolarHBondContact O-N 3.42Å; L1132-E1136 WeakPolarHBondContact O-CG 3.42Å; L1132-E1136 PolarHBondContact O-N 3.46Å; L1132-W1198 HydrophobicContact CD2-CZ2 3.89Å; L1132-W1198 PolarHBondContact O-NE1 3.45Å
1133Q83.8Confident82.8Confident101 Ų10152.6 Ų52.647%0.47228%0.279SS..Hα-helixtrans-61.4-41.1175.4-70.7175.8-10.700111.7T1129 L1130 G1135 E1136 T1137T1129-Q1133 WeakPolarHBondContact O-CG 3.34Å; T1129-Q1133 PolarHBondContact O-N 2.92Å; L1130-Q1133 PolarHBondContact O-N 2.99Å; Q1133-G1135 PolarHBondContact O-N 2.99Å; Q1133-E1136 PolarHBondContact O-N 3.27Å; Q1133-T1137 WeakPolarHBondContact O-CG2 3.1Å; Q1133-T1137 PolarHBondContact O-N 2.69Å; Q1133-T1137 PolarHBondContact O-OG1 3.47Å
1134L83.6Confident81.8Confident70 Ų7058.1 Ų58.137%0.36630%0.303SS..Hα-helixtrans-61.5-44.6176.7-173.867.1000111.3L1130 L1131 L1132 E1136 T1137 H1138 Q1204L1130-L1134 VanDerWaalsContact O-CB 3.27Å; L1130-L1134 WeakPolarHBondContact O-CB 3.42Å; L1130-L1134 PolarHBondContact O-N 3.04Å; L1131-L1134 HydrophobicContact CD2-CD2 4.4Å; L1131-L1134 PolarHBondContact O-N 3.01Å; L1132-L1134 VanDerWaalsContact C-N 3.33Å; L1132-L1134 PolarHBondContact O-N 3.07Å; L1134-E1136 PolarHBondContact O-N 3.06Å; L1134-T1137 PolarHBondContact O-N 2.94Å; L1134-T1137 PolarHBondContact O-OG1 3.23Å; L1134-H1138 WeakPolarHBondContact O-CB 3.41Å; L1134-H1138 PolarHBondContact O-N 3.49Å; L1134-Q1204 HydrophobicContact CD2-CB 4.37Å; L1134-Q1204 HydrophobicContact CD2-CG 4.32Å
1135G81.3Confident80.7Confident1 Ų162.7 Ų62.71%0.0133%0.327CS..Hα-helixtrans-65.8-34.7175.600000113.3L1131 L1132 Q1133 H1138 R1139 W1198L1131-G1135 PolarHBondContact O-N 2.99Å; L1132-G1135 PolarHBondContact O-N 3.42Å; Q1133-G1135 PolarHBondContact O-N 2.99Å; G1135-H1138 PolarHBondContact O-N 3.08Å; G1135-R1139 PolarHBondContact O-N 3.15Å; G1135-W1198 VanDerWaalsContact C-CD1 3.45Å
1136E81.4Confident79.5Confident56 Ų5664.3 Ų64.326%0.26233%0.328SS..Hα-helixtrans-66.1-45.7173.7-73.7178.6169.100112L1132 Q1133 L1134 H1138 R1139 E1140L1132-E1136 WeakPolarHBondContact O-CG 3.42Å; L1132-E1136 PolarHBondContact O-N 3.46Å; Q1133-E1136 PolarHBondContact O-N 3.27Å; L1134-E1136 PolarHBondContact O-N 3.06Å; E1136-H1138 VanDerWaalsContact C-N 3.29Å; E1136-H1138 PolarHBondContact O-N 3.47Å; E1136-R1139 WeakPolarHBondContact O-CB 3.41Å; E1136-R1139 PolarHBondContact O-N 3.17Å; E1136-E1140 WeakPolarHBondContact O-CG 3.44Å; E1136-E1140 PolarHBondContact O-N 2.9Å
1137T77.8Confident78.5Confident66 Ų6663.9 Ų63.941%0.40533%0.331SS..Hα-helixtrans-64.5-35.3176.658.80000112.1Q1133 L1134 E1140 L1141Q1133-T1137 WeakPolarHBondContact O-CG2 3.1Å; Q1133-T1137 PolarHBondContact O-N 2.69Å; Q1133-T1137 PolarHBondContact O-OG1 3.47Å; L1134-T1137 PolarHBondContact O-N 2.94Å; L1134-T1137 PolarHBondContact O-OG1 3.23Å; T1137-E1140 PolarHBondContact O-N 3.15Å; T1137-L1141 WeakPolarHBondContact O-CB 3.45Å; T1137-L1141 WeakPolarHBondContact O-CD1 3.26Å; T1137-L1141 WeakPolarHBondContact O-CG 3.28Å; T1137-L1141 PolarHBondContact O-N 2.63Å
1138H74.4Confident77.4Confident82 Ų8269.7 Ų69.738%0.3836%0.357SS..Hα-helixtrans-65.1-46.2174.5-170.163.1000111.5L1134 G1135 E1136 E1140 L1141 Q1142L1134-H1138 WeakPolarHBondContact O-CB 3.41Å; L1134-H1138 PolarHBondContact O-N 3.49Å; G1135-H1138 PolarHBondContact O-N 3.08Å; E1136-H1138 VanDerWaalsContact C-N 3.29Å; E1136-H1138 PolarHBondContact O-N 3.47Å; H1138-E1140 PolarHBondContact O-N 3.09Å; H1138-L1141 PolarHBondContact O-N 3.05Å; H1138-Q1142 WeakPolarHBondContact O-CB 3.43Å; H1138-Q1142 PolarHBondContact O-N 3.47Å
1139R77.3Confident76.3Confident80 Ų8073.6 Ų73.630%0.30238%0.377SS..Hα-helixtrans-56.5-47.8173.1-176.9-172.962.5-161.4-4.9111.4G1135 E1136 L1141 Q1142 A1143G1135-R1139 PolarHBondContact O-N 3.15Å; E1136-R1139 WeakPolarHBondContact O-CB 3.41Å; E1136-R1139 PolarHBondContact O-N 3.17Å; R1139-L1141 PolarHBondContact O-N 3.15Å; R1139-Q1142 PolarHBondContact O-N 3.47Å; R1139-A1143 WeakPolarHBondContact O-CB 3.5Å; R1139-A1143 PolarHBondContact O-N 3.49Å
1140E74.1Confident75.2Confident99 Ų9972.5 Ų72.546%0.46338%0.375SS..Hα-helixtrans-64.4-38.4178.9-73.9-177.3-171.400113.6E1136 T1137 H1138 K1144E1136-E1140 WeakPolarHBondContact O-CG 3.44Å; E1136-E1140 PolarHBondContact O-N 2.9Å; T1137-E1140 PolarHBondContact O-N 3.15Å; H1138-E1140 PolarHBondContact O-N 3.09Å; E1140-K1144 WeakPolarHBondContact O-CB 3.43Å; E1140-K1144 VanDerWaalsContact O-CG 3.25Å; E1140-K1144 WeakPolarHBondContact O-CG 3.26Å; E1140-K1144 PolarHBondContact O-N 2.97Å; E1140-K1144 VanDerWaalsContact O-N 3.08Å
1141L69.3Low74.3Confident113 Ų11372.6 Ų72.659%0.59238%0.377SS*.Hα-helixtrans-68.9-39.3176.6-81.4162.6000111.5T1137 H1138 R1139 K1144 L1145T1137-L1141 WeakPolarHBondContact O-CB 3.45Å; T1137-L1141 WeakPolarHBondContact O-CD1 3.26Å; T1137-L1141 WeakPolarHBondContact O-CG 3.28Å; T1137-L1141 PolarHBondContact O-N 2.63Å; H1138-L1141 PolarHBondContact O-N 3.05Å; R1139-L1141 PolarHBondContact O-N 3.15Å; L1141-K1144 PolarHBondContact O-N 3.36Å; L1141-L1145 WeakPolarHBondContact O-CB 3.39Å; L1141-L1145 PolarHBondContact O-N 2.85Å
1142Q67.7Low73.1Confident74 Ų7475.4 Ų75.435%0.34640%0.4SS..Hα-helixtrans-68.6-45.1177.6-173.8164.2-16.500111.3H1138 R1139 K1144 L1145 E1146H1138-Q1142 WeakPolarHBondContact O-CB 3.43Å; H1138-Q1142 PolarHBondContact O-N 3.47Å; R1139-Q1142 PolarHBondContact O-N 3.47Å; Q1142-K1144 VanDerWaalsContact C-N 3.27Å; Q1142-K1144 PolarHBondContact O-N 2.92Å; Q1142-L1145 PolarHBondContact O-N 3.35Å; Q1142-L1145 VanDerWaalsContact O-N 3.08Å; Q1142-E1146 WeakPolarHBondContact CG-OE1 3.23Å; Q1142-E1146 PolarHBondContact NE2-OE1 3.44Å; Q1142-E1146 VanDerWaalsContact NE2-OE1 3.08Å; Q1142-E1146 WeakPolarHBondContact O-CB 3.36Å; Q1142-E1146 WeakPolarHBondContact O-CG 3.45Å; Q1142-E1146 PolarHBondContact O-N 3Å
1143A68.7Low72Confident40 Ų4079.4 Ų79.433%0.33142%0.419SS..Hα-helixtrans-58.5-37.4172.900000112.4R1139 A1147R1139-A1143 WeakPolarHBondContact O-CB 3.5Å; R1139-A1143 PolarHBondContact O-N 3.49Å; A1143-A1147 VanDerWaalsContact O-CB 3.31Å; A1143-A1147 WeakPolarHBondContact O-CB 3.33Å; A1143-A1147 PolarHBondContact O-N 3.42Å
1144K69.9Low70.9Confident121 Ų12180 Ų8053%0.52642%0.422SS..Hα-helixtrans-68.9-39174-77.2170.4-174.5163.90112.9E1140 L1141 Q1142 Q1148E1140-K1144 WeakPolarHBondContact O-CB 3.43Å; E1140-K1144 VanDerWaalsContact O-CG 3.25Å; E1140-K1144 WeakPolarHBondContact O-CG 3.26Å; E1140-K1144 PolarHBondContact O-N 2.97Å; E1140-K1144 VanDerWaalsContact O-N 3.08Å; L1141-K1144 PolarHBondContact O-N 3.36Å; Q1142-K1144 VanDerWaalsContact C-N 3.27Å; Q1142-K1144 PolarHBondContact O-N 2.92Å; K1144-Q1148 WeakPolarHBondContact O-CB 3.29Å; K1144-Q1148 VanDerWaalsContact O-CG 3.27Å; K1144-Q1148 WeakPolarHBondContact O-CG 3.32Å; K1144-Q1148 PolarHBondContact O-N 3.5Å
1145L69.8Low69.9Low98 Ų9881.6 Ų81.651%0.51343%0.431SS..Hα-helixtrans-68.3-41.8177.7-177.865.5000111L1141 Q1142 Q1148 I1149L1141-L1145 WeakPolarHBondContact O-CB 3.39Å; L1141-L1145 PolarHBondContact O-N 2.85Å; Q1142-L1145 PolarHBondContact O-N 3.35Å; Q1142-L1145 VanDerWaalsContact O-N 3.08Å; L1145-Q1148 WeakPolarHBondContact O-CB 3.4Å; L1145-Q1148 PolarHBondContact O-N 3.26Å; L1145-I1149 HydrophobicContact CD1-CD1 4.43Å; L1145-I1149 HydrophobicContact CG-CD1 4.01Å; L1145-I1149 VanDerWaalsContact O-CG1 3.27Å; L1145-I1149 WeakPolarHBondContact O-CG1 3.39Å; L1145-I1149 PolarHBondContact O-N 3.27Å
1146E63.9Low68.7Low70 Ų7086.7 Ų86.733%0.32746%0.457SS..Hα-helixtrans-67-40.2176.6-73.3171.9-168.100111.7Q1142 Q1148 I1149 A1150Q1142-E1146 WeakPolarHBondContact CG-OE1 3.23Å; Q1142-E1146 PolarHBondContact NE2-OE1 3.44Å; Q1142-E1146 VanDerWaalsContact NE2-OE1 3.08Å; Q1142-E1146 WeakPolarHBondContact O-CB 3.36Å; Q1142-E1146 WeakPolarHBondContact O-CG 3.45Å; Q1142-E1146 PolarHBondContact O-N 3Å; E1146-Q1148 VanDerWaalsContact C-N 3.32Å; E1146-Q1148 PolarHBondContact O-N 2.87Å; E1146-I1149 PolarHBondContact O-N 3.34Å; E1146-A1150 VanDerWaalsContact O-CB 3.31Å; E1146-A1150 WeakPolarHBondContact O-CB 3.15Å; E1146-A1150 PolarHBondContact O-N 3.46Å
1147A68.4Low67.4Low49 Ų4987.5 Ų87.541%0.40546%0.463SS..Hα-helixtrans-60.2-41.6170.500000111.9A1143 A1150 D1151A1143-A1147 VanDerWaalsContact O-CB 3.31Å; A1143-A1147 WeakPolarHBondContact O-CB 3.33Å; A1143-A1147 PolarHBondContact O-N 3.42Å; A1147-A1150 PolarHBondContact O-N 3Å; A1147-D1151 WeakPolarHBondContact O-CB 3.45Å; A1147-D1151 VanDerWaalsContact O-CG 3.32Å; A1147-D1151 PolarHBondContact O-N 2.98Å
1148Q70.8Confident66.4Low126 Ų12689.6 Ų89.659%0.58947%0.468SS*.Hα-helixtrans-67.5-35175.8-75.6174.715.800113.2K1144 L1145 E1146 A1152K1144-Q1148 WeakPolarHBondContact O-CB 3.29Å; K1144-Q1148 VanDerWaalsContact O-CG 3.27Å; K1144-Q1148 WeakPolarHBondContact O-CG 3.32Å; K1144-Q1148 PolarHBondContact O-N 3.5Å; L1145-Q1148 WeakPolarHBondContact O-CB 3.4Å; L1145-Q1148 PolarHBondContact O-N 3.26Å; E1146-Q1148 VanDerWaalsContact C-N 3.32Å; E1146-Q1148 PolarHBondContact O-N 2.87Å; Q1148-A1152 VanDerWaalsContact O-CB 3.26Å; Q1148-A1152 WeakPolarHBondContact O-CB 3.43Å; Q1148-A1152 PolarHBondContact O-N 3.06Å
1149I67.4Low65.6Low85 Ų8590 Ų9044%0.43648%0.476SS..Hα-helixtrans-70.6-41.8174.7-70165.8000110.1L1145 E1146 A1152 M1153L1145-I1149 HydrophobicContact CD1-CD1 4.43Å; L1145-I1149 HydrophobicContact CG-CD1 4.01Å; L1145-I1149 VanDerWaalsContact O-CG1 3.27Å; L1145-I1149 WeakPolarHBondContact O-CG1 3.39Å; L1145-I1149 PolarHBondContact O-N 3.27Å; E1146-I1149 PolarHBondContact O-N 3.34Å; I1149-A1152 PolarHBondContact O-N 3.49Å; I1149-M1153 HydrophobicContact CG2-CG 4.32Å; I1149-M1153 HydrophobicContact CG2-SD 3.9Å; I1149-M1153 WeakPolarHBondContact O-CB 3.32Å; I1149-M1153 VanDerWaalsContact O-CG 3.23Å; I1149-M1153 WeakPolarHBondContact O-CG 3.48Å; I1149-M1153 PolarHBondContact O-N 2.94Å
1150A64.9Low64.4Low53 Ų5390.2 Ų90.244%0.43848%0.483SS..Hα-helixtrans-62.1-45175.600000111.4E1146 A1147 M1153 Q1154E1146-A1150 VanDerWaalsContact O-CB 3.31Å; E1146-A1150 WeakPolarHBondContact O-CB 3.15Å; E1146-A1150 PolarHBondContact O-N 3.46Å; A1147-A1150 PolarHBondContact O-N 3Å; A1150-M1153 PolarHBondContact O-N 3.46Å; A1150-Q1154 WeakPolarHBondContact O-CB 3.38Å; A1150-Q1154 PolarHBondContact O-N 3.02Å
1151D68.5Low63.2Low100 Ų10092.3 Ų92.354%0.53549%0.491SS..Hα-helixtrans-61.7-44.4174-75.6-10.6000111.1A1147 M1153 Q1154 D1155A1147-D1151 WeakPolarHBondContact O-CB 3.45Å; A1147-D1151 VanDerWaalsContact O-CG 3.32Å; A1147-D1151 PolarHBondContact O-N 2.98Å; D1151-M1153 VanDerWaalsContact C-N 3.34Å; D1151-M1153 PolarHBondContact O-N 3.39Å; D1151-Q1154 PolarHBondContact O-N 3.32Å; D1151-D1155 PolarHBondContact O-N 3.48Å
1152A65.1Low62.2Low58 Ų5895.1 Ų95.148%0.47950%0.5SS..Hα-helixtrans-66.9-32.5177.300000113.3Q1148 I1149 L1156Q1148-A1152 VanDerWaalsContact O-CB 3.26Å; Q1148-A1152 WeakPolarHBondContact O-CB 3.43Å; Q1148-A1152 PolarHBondContact O-N 3.06Å; I1149-A1152 PolarHBondContact O-N 3.49Å; A1152-L1156 WeakPolarHBondContact O-CB 3.27Å; A1152-L1156 PolarHBondContact O-N 2.99Å; A1152-L1156 VanDerWaalsContact O-N 3.09Å
1153M64.4Low61.4Low126 Ų12697.2 Ų97.262%0.62152%0.518SS*.Hα-helixtrans-72.8-34.6173.5-75.2178.765.300111.6I1149 A1150 D1151 L1156 D1157I1149-M1153 HydrophobicContact CG2-CG 4.32Å; I1149-M1153 HydrophobicContact CG2-SD 3.9Å; I1149-M1153 WeakPolarHBondContact O-CB 3.32Å; I1149-M1153 VanDerWaalsContact O-CG 3.23Å; I1149-M1153 WeakPolarHBondContact O-CG 3.48Å; I1149-M1153 PolarHBondContact O-N 2.94Å; A1150-M1153 PolarHBondContact O-N 3.46Å; D1151-M1153 VanDerWaalsContact C-N 3.34Å; D1151-M1153 PolarHBondContact O-N 3.39Å; M1153-L1156 PolarHBondContact O-N 3.34Å; M1153-D1157 WeakPolarHBondContact O-CB 3.35Å; M1153-D1157 PolarHBondContact O-N 2.79Å
1154Q60.7Low60.3Low113 Ų113103.4 Ų103.453%0.52854%0.54SS..Hα-helixtrans-70.1-41.1175-169.8170-1100111.4A1150 D1151 L1156 D1157 E1158A1150-Q1154 WeakPolarHBondContact O-CB 3.38Å; A1150-Q1154 PolarHBondContact O-N 3.02Å; D1151-Q1154 PolarHBondContact O-N 3.32Å; Q1154-L1156 VanDerWaalsContact C-N 3.31Å; Q1154-L1156 PolarHBondContact O-N 3.46Å; Q1154-D1157 PolarHBondContact O-N 3.37Å; Q1154-E1158 PolarHBondContact O-N 2.84Å
1155D61Low59Low104 Ų104105.9 Ų105.956%0.55656%0.559SS**Hα-helixtrans-62-37.9171.8-81.5-7.9000111.7D1151 T1159D1151-D1155 PolarHBondContact O-N 3.48Å; D1155-T1159 WeakPolarHBondContact O-CB 3.47Å; D1155-T1159 PolarHBondContact O-N 3.22Å; D1155-T1159 PolarHBondContact O-OG1 3.45Å
1156L57.5Low57.5Low107 Ų107104.9 Ų104.956%0.5657%0.572SS**Hα-helixtrans-68.4-37.4175.6-165.870.6000111.9A1152 M1153 Q1154 T1159 L1160A1152-L1156 WeakPolarHBondContact O-CB 3.27Å; A1152-L1156 PolarHBondContact O-N 2.99Å; A1152-L1156 VanDerWaalsContact O-N 3.09Å; M1153-L1156 PolarHBondContact O-N 3.34Å; Q1154-L1156 VanDerWaalsContact C-N 3.31Å; Q1154-L1156 PolarHBondContact O-N 3.46Å; L1156-T1159 PolarHBondContact O-N 3.03Å; L1156-L1160 HydrophobicContact CG-CD1 4.38Å; L1156-L1160 WeakPolarHBondContact O-CB 3.26Å; L1156-L1160 WeakPolarHBondContact O-CD1 3.2Å; L1156-L1160 PolarHBondContact O-N 3.3Å
1157D54.1Low56.3Low74 Ų74109.3 Ų109.340%0.39660%0.599SS.*Hα-helixtrans-70.6-35.2176.2-16159.2000112.1M1153 Q1154 K1161M1153-D1157 WeakPolarHBondContact O-CB 3.35Å; M1153-D1157 PolarHBondContact O-N 2.79Å; Q1154-D1157 PolarHBondContact O-N 3.37Å; D1157-K1161 WeakPolarHBondContact O-CG 3.33Å; D1157-K1161 PolarHBondContact O-N 3.37Å; D1157-K1161 IonicContact OD2-NZ 2.66Å; D1157-K1161 PolarHBondContact OD2-NZ 3.13Å
1158E56.6Low54.9Low109 Ų109116.1 Ų116.151%0.50962%0.622SS.*Hα-helixtrans-70.6-35.2171-76.2-170.9176.100112.5Q1154 K1161 H1162Q1154-E1158 PolarHBondContact O-N 2.84Å; E1158-K1161 PolarHBondContact O-N 3.36Å; E1158-H1162 PolarHBondContact O-N 2.88Å
1159T56.6Low53.4Low90 Ų90118.5 Ų118.555%0.55263%0.633SS**Hα-helixtrans-69.2-35.7175.1-50.10000111.5D1155 L1156 H1162D1155-T1159 WeakPolarHBondContact O-CB 3.47Å; D1155-T1159 PolarHBondContact O-N 3.22Å; D1155-T1159 PolarHBondContact O-OG1 3.45Å; L1156-T1159 PolarHBondContact O-N 3.03Å; T1159-H1162 PolarHBondContact O-N 3.02Å
1160L52.3Low51.9Low85 Ų85124.4 Ų124.445%0.44566%0.656SS.*Hα-helixtrans-70.5-35.5174.5-85.1156000112.5L1156 H1162 V1163L1156-L1160 HydrophobicContact CG-CD1 4.38Å; L1156-L1160 WeakPolarHBondContact O-CB 3.26Å; L1156-L1160 WeakPolarHBondContact O-CD1 3.2Å; L1156-L1160 PolarHBondContact O-N 3.3Å; L1160-H1162 PolarHBondContact O-N 3.45Å; L1160-V1163 PolarHBondContact O-N 2.83Å
1161K49.4Very low50.9Low144 Ų144130.7 Ų130.763%0.62668%0.676SS**Hα-helixtrans-67.6-15.4174.4-80.2167.4177.2148.30114.3D1157 E1158D1157-K1161 WeakPolarHBondContact O-CG 3.33Å; D1157-K1161 PolarHBondContact O-N 3.37Å; D1157-K1161 IonicContact OD2-NZ 2.66Å; D1157-K1161 PolarHBondContact OD2-NZ 3.13Å; E1158-K1161 PolarHBondContact O-N 3.36Å
1162H48.4Very low49.4Very low171 Ų171134.9 Ų134.979%0.79269%0.693SS**THydrogen-bonded Turntrans-94.43.6176.8-88.3-53.9000114.7E1158 T1159 L1160E1158-H1162 PolarHBondContact O-N 2.88Å; T1159-H1162 PolarHBondContact O-N 3.02Å; L1160-H1162 PolarHBondContact O-N 3.45Å
1163V51.1Low48Very low119 Ų119138.6 Ų138.672%0.72170%0.704SS**SBendtrans-110.2-9-179.9-178.90000113.4L1160L1160-V1163 PolarHBondContact O-N 2.83Å
1164E45.3Very low46.8Very low169 Ų169145 Ų14579%0.7972%0.722SS**  trans-111.160.2-178-67.7-170.9167.100113.7
1165D42.1Very low45.9Very low174 Ų174148.1 Ų148.193%0.9373%0.733SS**  trans-140.293.4159.7-111.2-14.5000109.1
1166G38.1Very low45Very low76 Ų76149.9 Ų149.978%0.78474%0.741SS**  trans16690.6177.600000112.8
1167D39.9Very low44.3Very low164 Ų164148.6 Ų148.688%0.87774%0.735SS**  trans-52.7141.6-178.7-57.8-59.7000115.6
1168E38.6Very low43.7Very low192 Ų192149.7 Ų149.790%0.89775%0.746SS**  -178146.2115.7-96.8178.8-167.200112.9
1169E40.3Very low43.1Very low175 Ų175149.2 Ų149.282%0.81875%0.746SS**  trans-28.1141.1-177.7-63.3171.7149.600119.7
1170F35.7Very low42.4Very low210 Ų210151.7 Ų151.792%0.92175%0.752SS**  -176.1126.8125.5-102-75.3000111.1
1171E42.3Very low42.1Very low185 Ų185150.6 Ų150.686%0.86475%0.748SS**  trans-77.6128.1162.1-80.5-162.7148.900110.2
1172E38.6Very low41.6Very low188 Ų188149.4 Ų149.488%0.87975%0.745SS**  173.3149126.8-98.8-179.4163.700111.6
1173D34Very low41.3Very low136 Ų136148.4 Ų148.473%0.72773%0.734SS**  trans71.287.9172.5-79.7-7.5000119.6K1175D1173-K1175 VanDerWaalsContact C-N 3.26Å; D1173-K1175 PolarHBondContact O-N 2.96Å
1174R41Very low40.6Very low261 Ų261149.6 Ų149.699%0.98573%0.729SS**  trans-71.181156.9-70.3-172.4-169.8-171.92.5110.7
1175K40.3Very low40.3Very low178 Ų178150.1 Ų150.177%0.77472%0.724SS**PPolyproline II helixtrans-76.2132.7150.7-83.9174.1-179.5163.90108.2D1173 D1177D1173-K1175 VanDerWaalsContact C-N 3.26Å; D1173-K1175 PolarHBondContact O-N 2.96Å; K1175-D1177 PolarHBondContact O-N 3.25Å
1176I43.3Very low40.1Very low140 Ų140146.6 Ų146.672%0.71870%0.704SS**PPolyproline II helixtrans-53.6119.1173.4-63.3166.6000108.6P1178 V1181I1176-P1178 WeakPolarHBondContact O-CD 3.14Å; I1176-V1181 HydrophobicContact CG2-CG2 3.24Å
1177D41.7Very low39.9Very low80 Ų80144.5 Ų144.543%0.42868%0.683SS.*PPolyproline II helixtrans-66.3121177.4-168.1-18.8000109.5K1175 I1179 E1180 V1181K1175-D1177 PolarHBondContact O-N 3.25Å; D1177-I1179 PolarHBondContact O-N 2.85Å; D1177-I1179 VanDerWaalsContact O-N 3.09Å; D1177-I1179 WeakPolarHBondContact OD1-CB 3.06Å; D1177-I1179 PolarHBondContact OD1-N 3.46Å; D1177-E1180 HydrophobicContact CB-CB 4.3Å; D1177-E1180 PolarHBondContact O-N 3.34Å; D1177-E1180 VanDerWaalsContact O-N 3.12Å; D1177-V1181 PolarHBondContact O-N 3.31Å
1178P41.8Very low39.5Very low98 Ų98142 Ų14264%0.63667%0.67SS**Hα-helixtrans-55.7-25.7177-23.833.3000113I1176 Q1182I1176-P1178 WeakPolarHBondContact O-CD 3.14Å; P1178-Q1182 WeakPolarHBondContact O-CB 3.16Å; P1178-Q1182 PolarHBondContact O-N 3.34Å
1179I44.3Very low39.2Very low99 Ų99141 Ų14151%0.50867%0.667SS.*Hα-helixtrans-75.4-33.8-178.8-62173.9000111.2D1177 Q1182 R1183D1177-I1179 PolarHBondContact O-N 2.85Å; D1177-I1179 VanDerWaalsContact O-N 3.09Å; D1177-I1179 WeakPolarHBondContact OD1-CB 3.06Å; D1177-I1179 PolarHBondContact OD1-N 3.46Å; I1179-Q1182 PolarHBondContact O-N 2.87Å; I1179-R1183 WeakPolarHBondContact O-CB 3.34Å; I1179-R1183 WeakPolarHBondContact O-CG 3.45Å; I1179-R1183 PolarHBondContact O-N 3.37Å
1180E41.8Very low39.1Very low142 Ų142138.8 Ų138.866%0.66466%0.656SS**Hα-helixtrans-76.8-31.9177.7-161.5162.2-17100111.8D1177 K1184D1177-E1180 HydrophobicContact CB-CB 4.3Å; D1177-E1180 PolarHBondContact O-N 3.34Å; D1177-E1180 VanDerWaalsContact O-N 3.12Å; E1180-K1184 VanDerWaalsContact O-CB 3.29Å; E1180-K1184 WeakPolarHBondContact O-CB 3.44Å; E1180-K1184 PolarHBondContact O-N 3.35Å
1181V46.1Very low39Very low62 Ų62133.9 Ų133.938%0.37664%0.644SS.*Hα-helixtrans-70.6-33.7169.9177.40000111.8I1176 D1177 R1185I1176-V1181 HydrophobicContact CG2-CG2 3.24Å; D1177-V1181 PolarHBondContact O-N 3.31Å; V1181-R1185 WeakPolarHBondContact O-CB 3.49Å; V1181-R1185 PolarHBondContact O-N 3.21Å
1182Q39.5Very low38.5Very low118 Ų118131 Ų13155%0.55164%0.643SS**Hα-helixtrans-73-41.7174.3-149.3105.2-28.800111.5P1178 I1179 K1184 R1185 I1186P1178-Q1182 WeakPolarHBondContact O-CB 3.16Å; P1178-Q1182 PolarHBondContact O-N 3.34Å; I1179-Q1182 PolarHBondContact O-N 2.87Å; Q1182-K1184 VanDerWaalsContact C-N 3.34Å; Q1182-K1184 PolarHBondContact O-N 3.42Å; Q1182-R1185 PolarHBondContact O-N 2.95Å; Q1182-I1186 HydrophobicContact CG-CD1 4.16Å; Q1182-I1186 WeakPolarHBondContact O-CB 3.49Å; Q1182-I1186 WeakPolarHBondContact O-CD1 3.37Å; Q1182-I1186 WeakPolarHBondContact O-CG1 3.14Å; Q1182-I1186 PolarHBondContact O-N 2.94Å
1183R41.6Very low38.3Very low150 Ų150128.5 Ų128.557%0.56663%0.633SS**Hα-helixtrans-62.5-39.1174-80.1179.4-173.51781.1112I1179 I1186 G1187I1179-R1183 WeakPolarHBondContact O-CB 3.34Å; I1179-R1183 WeakPolarHBondContact O-CG 3.45Å; I1179-R1183 PolarHBondContact O-N 3.37Å; R1183-I1186 PolarHBondContact O-N 3.04Å; R1183-G1187 PolarHBondContact O-N 2.96Å
1184K36.9Very low38.6Very low144 Ų144125.6 Ų125.663%0.62663%0.628SS**Hα-helixtrans-72.9-35.1175-151.4173.2-172.5174.90112.5E1180 Q1182 D1188E1180-K1184 VanDerWaalsContact O-CB 3.29Å; E1180-K1184 WeakPolarHBondContact O-CB 3.44Å; E1180-K1184 PolarHBondContact O-N 3.35Å; Q1182-K1184 VanDerWaalsContact C-N 3.34Å; Q1182-K1184 PolarHBondContact O-N 3.42Å; K1184-D1188 WeakPolarHBondContact O-CB 3.49Å; K1184-D1188 PolarHBondContact O-N 3.45Å
1185R38.7Very low39Very low180 Ų180117.4 Ų117.468%0.67960%0.603SS**Hα-helixtrans-67.2-34.1170.9-91.9-176.8-176.3172.62.4113.7V1181 Q1182 M1189V1181-R1185 WeakPolarHBondContact O-CB 3.49Å; V1181-R1185 PolarHBondContact O-N 3.21Å; Q1182-R1185 PolarHBondContact O-N 2.95Å; R1185-M1189 WeakPolarHBondContact O-CB 3.33Å; R1185-M1189 PolarHBondContact O-N 2.83Å
1186I38.7Very low39.7Very low100 Ų100114.6 Ų114.651%0.51360%0.597SS.*Hα-helixtrans-76.7-41.9177.6-67.4164.8000109.8Q1182 R1183 M1189 Q1190Q1182-I1186 HydrophobicContact CG-CD1 4.16Å; Q1182-I1186 WeakPolarHBondContact O-CB 3.49Å; Q1182-I1186 WeakPolarHBondContact O-CD1 3.37Å; Q1182-I1186 WeakPolarHBondContact O-CG1 3.14Å; Q1182-I1186 PolarHBondContact O-N 2.94Å; R1183-I1186 PolarHBondContact O-N 3.04Å; I1186-M1189 PolarHBondContact O-N 3.08Å; I1186-Q1190 PolarHBondContact O-N 3.44Å
1187G32.3Very low40.8Very low32 Ų32113 Ų11333%0.3359%0.586SS.*Hα-helixtrans-67-37.2174.100000114.4R1183 M1189 Q1190R1183-G1187 PolarHBondContact O-N 2.96Å; G1187-M1189 VanDerWaalsContact C-N 3.29Å; G1187-M1189 PolarHBondContact O-N 2.87Å; G1187-Q1190 PolarHBondContact O-N 3.29Å
1188D32.6Very low42.8Very low113 Ų113109.3 Ų109.360%0.60457%0.566SS**THydrogen-bonded Turntrans-76.9-13.9176.7-68.9-14.5000112.4K1184K1184-D1188 WeakPolarHBondContact O-CB 3.49Å; K1184-D1188 PolarHBondContact O-N 3.45Å
1189M32.8Very low44.7Very low170 Ų170107.9 Ų107.984%0.83755%0.548SS*.THydrogen-bonded Turntrans-86-13.2171-134.4176.476.900112.9R1185 I1186 G1187R1185-M1189 WeakPolarHBondContact O-CB 3.33Å; R1185-M1189 PolarHBondContact O-N 2.83Å; I1186-M1189 PolarHBondContact O-N 3.08Å; G1187-M1189 VanDerWaalsContact C-N 3.29Å; G1187-M1189 PolarHBondContact O-N 2.87Å
1190Q37.3Very low46.7Very low128 Ų128103.2 Ų103.260%0.59853%0.525SS*.SBendtrans-106.412-174.4-98179.8-33.700114.4I1186 G1187I1186-Q1190 PolarHBondContact O-N 3.44Å; G1187-Q1190 PolarHBondContact O-N 3.29Å
1191T34Very low48.8Very low108 Ų10898.9 Ų98.966%0.66351%0.506SS*.SBendtrans-116.862.4178.342.70000111.8
1192C32.1Very low50.6Low123 Ų12396.1 Ų96.183%0.83149%0.489SS*.SBendtrans-171.236.1150.5-130.80000116.3
1193M34Very low52.8Low137 Ų13794.6 Ų94.668%0.67548%0.482SS*.SBendtrans-150.1141.8164.9-66.1-154.897.900110.2D1195M1193-D1195 PolarHBondContact O-N 3.3Å
1194A40.3Very low55Low75 Ų7589.4 Ų89.462%0.6246%0.464SS*.  trans-73.5120.2173.400000109.6D1196A1194-D1196 PolarHBondContact O-N 3.33Å
1195D49.6Very low57.4Low89 Ų8982.7 Ų82.748%0.47644%0.435SS..THydrogen-bonded Turntrans-85.714.1-167.2-77.5-29.1000115.2M1193M1193-D1195 PolarHBondContact O-N 3.3Å
1196D54.8Low59.8Low118 Ų11874.7 Ų74.763%0.63141%0.405SS*.THydrogen-bonded Turntrans-124.225.9-176-157.912.3000114.4A1194A1194-D1196 PolarHBondContact O-N 3.33Å
1197E65.4Low62Low106 Ų10673 Ų7350%0.49541%0.406SS..  trans-99.9135.4-170.6-147.2175.8-173.700112.9R1199E1197-R1199 WeakPolarHBondContact O-CG 3.35Å; E1197-R1199 PolarHBondContact O-N 2.92Å
1198W84.9Confident64.8Low4 Ų472.9 Ų72.92%0.01540%0.401CS..  trans-57132.6175.4179.5108.4000110.3Q1097 F1100 L1132 G1135 V1200Q1097-W1198 HydrophobicContact CB-CB 4.1Å; Q1097-W1198 HydrophobicContact CB-CD2 3.87Å; Q1097-W1198 HydrophobicContact CB-CE3 3.62Å; Q1097-W1198 HydrophobicContact CB-CG 4.1Å; Q1097-W1198 HydrophobicContact CB-CZ3 4.33Å; Q1097-W1198 HydrophobicContact CG-CD2 4.05Å; Q1097-W1198 HydrophobicContact CG-CE3 4.15Å; Q1097-W1198 HydrophobicContact CG-CG 4.28Å; Q1097-W1198 VanDerWaalsContact N-CE3 3.28Å; F1100-W1198 HydrophobicContact CB-CH2 3.59Å; F1100-W1198 HydrophobicContact CB-CZ3 3.56Å; F1100-W1198 AromaticContact CD1-CH2 3.68Å; F1100-W1198 HydrophobicContact CD1-CH2 3.68Å; F1100-W1198 HydrophobicContact CD1-CZ2 4.25Å; F1100-W1198 HydrophobicContact CD1-CZ3 4.41Å; F1100-W1198 AromaticContact CD2-CH2 3.95Å; F1100-W1198 HydrophobicContact CD2-CH2 3.95Å; F1100-W1198 HydrophobicContact CE1-CH2 4.38Å; F1100-W1198 AromaticContact CG-CH2 3.43Å; F1100-W1198 HydrophobicContact CG-CH2 3.43Å; F1100-W1198 VanDerWaalsContact CG-CH2 3.43Å; F1100-W1198 HydrophobicContact CG-CZ2 4.4Å; F1100-W1198 AromaticContact CG-CZ3 3.97Å; F1100-W1198 HydrophobicContact CG-CZ3 3.97Å; L1132-W1198 HydrophobicContact CD2-CZ2 3.89Å; L1132-W1198 PolarHBondContact O-NE1 3.45Å; G1135-W1198 VanDerWaalsContact C-CD1 3.45Å; W1198-V1200 HydrophobicContact CH2-CB 3.58Å; W1198-V1200 HydrophobicContact CH2-CG1 3.42Å; W1198-V1200 VanDerWaalsContact CH2-CG1 3.42Å; W1198-V1200 HydrophobicContact CZ2-CB 4.26Å; W1198-V1200 HydrophobicContact CZ2-CG1 4.5Å; W1198-V1200 HydrophobicContact CZ3-CB 3.9Å; W1198-V1200 HydrophobicContact CZ3-CG1 3.59Å
1199R81.1Confident67.6Low67 Ų6767.6 Ų67.625%0.25337%0.372SS..EExtended strand (participates in β ladder)trans-141.3144.4-176-72.5164.5-174-108.15.1111.6V1094 M1095 E1197V1094-R1199 HydrophobicContact CB-CB 4.37Å; V1094-R1199 HydrophobicContact CG2-CB 4.18Å; V1094-R1199 HydrophobicContact CG2-CG 3.93Å; V1094-R1199 VanDerWaalsContact CG2-NH1 3.32Å; M1095-R1199 WeakPolarHBondContact O-CA 3.46Å; E1197-R1199 WeakPolarHBondContact O-CG 3.35Å; E1197-R1199 PolarHBondContact O-N 2.92Å
1200V86.4Confident70.2Confident2 Ų262.9 Ų62.91%0.01235%0.349CS..EExtended strand (participates in β ladder)trans-135.9142.7169.4720000109.8Y929 M1095 F1100 L1131 W1198 Q1204 I1205Y929-V1200 PolarHBondContact OH-O 3.18Å; M1095-V1200 HydrophobicContact CB-CG1 4.09Å; M1095-V1200 PolarHBondContact N-O 3.24Å; M1095-V1200 PolarHBondContact O-N 3.46Å; M1095-V1200 VanDerWaalsContact O-N 3.09Å; F1100-V1200 HydrophobicContact CB-CG1 4.33Å; F1100-V1200 HydrophobicContact CD2-CG1 3.85Å; F1100-V1200 HydrophobicContact CG-CG1 4.33Å; L1131-V1200 HydrophobicContact CD2-CG2 4.29Å; W1198-V1200 HydrophobicContact CH2-CB 3.58Å; W1198-V1200 HydrophobicContact CH2-CG1 3.42Å; W1198-V1200 VanDerWaalsContact CH2-CG1 3.42Å; W1198-V1200 HydrophobicContact CZ2-CB 4.26Å; W1198-V1200 HydrophobicContact CZ2-CG1 4.5Å; W1198-V1200 HydrophobicContact CZ3-CB 3.9Å; W1198-V1200 HydrophobicContact CZ3-CG1 3.59Å; V1200-Q1204 HydrophobicContact CG2-CB 3.9Å; V1200-I1205 HydrophobicContact CG1-CD1 3.9Å; V1200-I1205 HydrophobicContact CG1-CG1 4.25Å; V1200-I1205 HydrophobicContact CG2-CD1 4.44Å; V1200-I1205 HydrophobicContact CG2-CG1 3.9Å
1201N85.9Confident72.7Confident51 Ų5160.5 Ų60.527%0.27335%0.352SS..  trans-103.1165.1176.572.831.3000112V1094 E1203 Q1204 I1205V1094-N1201 HydrophobicContact CG1-CB 3.94Å; N1201-E1203 VanDerWaalsContact C-N 3.3Å; N1201-E1203 PolarHBondContact O-N 3.42Å; N1201-E1203 PolarHBondContact OD1-N 3.28Å; N1201-E1203 VanDerWaalsContact OD1-N 3.13Å; N1201-Q1204 PolarHBondContact O-N 3.47Å; N1201-Q1204 WeakPolarHBondContact OD1-CB 3.26Å; N1201-Q1204 VanDerWaalsContact OD1-CG 3.27Å; N1201-Q1204 WeakPolarHBondContact OD1-CG 3.3Å; N1201-Q1204 PolarHBondContact OD1-N 2.99Å; N1201-Q1204 PolarHBondContact OD1-OE1 2.96Å; N1201-I1205 PolarHBondContact O-N 2.81Å
1202L84.8Confident75.5Confident3 Ų358.3 Ų58.32%0.01633%0.334CS..Hα-helixtrans-60.9-36.5-179.9178.262.2000112.5A926 Y929 M1089 L1092 Q1204 I1205 L1206A926-L1202 HydrophobicContact CB-CD2 3.84Å; Y929-L1202 HydrophobicContact CD1-CB 4.23Å; Y929-L1202 HydrophobicContact CD1-CD1 4.43Å; Y929-L1202 HydrophobicContact CD2-CB 4.37Å; Y929-L1202 HydrophobicContact CD2-CD1 4.14Å; Y929-L1202 HydrophobicContact CE1-CB 4.14Å; Y929-L1202 HydrophobicContact CE2-CB 4.3Å; Y929-L1202 HydrophobicContact CG-CB 4.34Å; Y929-L1202 HydrophobicContact CG-CD1 3.91Å; M1089-L1202 HydrophobicContact CB-CD2 4.38Å; M1089-L1202 HydrophobicContact CE-CD2 4.47Å; M1089-L1202 HydrophobicContact CG-CD2 4.05Å; L1092-L1202 HydrophobicContact CD1-CD2 3.6Å; L1202-Q1204 VanDerWaalsContact C-N 3.34Å; L1202-Q1204 PolarHBondContact O-N 2.89Å; L1202-I1205 PolarHBondContact O-N 3.26Å; L1202-L1206 HydrophobicContact CD1-CD1 3.93Å; L1202-L1206 HydrophobicContact CD1-CD2 4.5Å; L1202-L1206 HydrophobicContact CD1-CG 3.9Å; L1202-L1206 HydrophobicContact CD2-CD1 4.28Å; L1202-L1206 HydrophobicContact CG-CD1 3.69Å; L1202-L1206 HydrophobicContact CG-CG 4.14Å; L1202-L1206 WeakPolarHBondContact O-CB 3.45Å; L1202-L1206 WeakPolarHBondContact O-CG 3.33Å; L1202-L1206 PolarHBondContact O-N 3.46Å
1203E84.7Confident78.2Confident86 Ų8657.2 Ų57.240%0.40232%0.323SS..Hα-helixtrans-62.5-40.4179.5-65.6-172.9162.600111.9K1090 N1201 L1206 A1207K1090-E1203 VanDerWaalsContact CE-OE1 3.25Å; K1090-E1203 WeakPolarHBondContact CE-OE1 3.27Å; K1090-E1203 VanDerWaalsContact CG-OE1 3.3Å; K1090-E1203 WeakPolarHBondContact CG-OE1 3.44Å; N1201-E1203 VanDerWaalsContact C-N 3.3Å; N1201-E1203 PolarHBondContact O-N 3.42Å; N1201-E1203 PolarHBondContact OD1-N 3.28Å; N1201-E1203 VanDerWaalsContact OD1-N 3.13Å; E1203-L1206 PolarHBondContact O-N 2.89Å; E1203-A1207 VanDerWaalsContact O-CB 3.26Å; E1203-A1207 WeakPolarHBondContact O-CB 3.34Å; E1203-A1207 PolarHBondContact O-N 3.34Å
1204Q87.2Confident81Confident42 Ų4252.5 Ų52.520%0.19630%0.302CS..Hα-helixtrans-66.7-44.4177.2-72.8166.5-35.200111.8L1134 V1200 N1201 L1202 S1208L1134-Q1204 HydrophobicContact CD2-CB 4.37Å; L1134-Q1204 HydrophobicContact CD2-CG 4.32Å; V1200-Q1204 HydrophobicContact CG2-CB 3.9Å; N1201-Q1204 PolarHBondContact O-N 3.47Å; N1201-Q1204 WeakPolarHBondContact OD1-CB 3.26Å; N1201-Q1204 VanDerWaalsContact OD1-CG 3.27Å; N1201-Q1204 WeakPolarHBondContact OD1-CG 3.3Å; N1201-Q1204 PolarHBondContact OD1-N 2.99Å; N1201-Q1204 PolarHBondContact OD1-OE1 2.96Å; L1202-Q1204 VanDerWaalsContact C-N 3.34Å; L1202-Q1204 PolarHBondContact O-N 2.89Å; Q1204-S1208 WeakPolarHBondContact O-CB 3.2Å; Q1204-S1208 PolarHBondContact O-N 3.29Å; Q1204-S1208 PolarHBondContact O-OG 2.86Å
1205I88.6Confident83.3Confident2 Ų248.9 Ų48.91%0.0127%0.273CS..Hα-helixtrans-61.3-48.6175.7-67.1173.2000109.6Y929 F1100 L1103 L1131 V1200 N1201 L1202 S1208 V1209Y929-I1205 HydrophobicContact CD2-CD1 3.79Å; Y929-I1205 HydrophobicContact CE2-CD1 3.82Å; F1100-I1205 HydrophobicContact CD2-CD1 4.25Å; F1100-I1205 HydrophobicContact CE2-CD1 4.48Å; L1103-I1205 HydrophobicContact CD2-CD1 3.95Å; L1131-I1205 HydrophobicContact CD1-CG1 4.36Å; V1200-I1205 HydrophobicContact CG1-CD1 3.9Å; V1200-I1205 HydrophobicContact CG1-CG1 4.25Å; V1200-I1205 HydrophobicContact CG2-CD1 4.44Å; V1200-I1205 HydrophobicContact CG2-CG1 3.9Å; N1201-I1205 PolarHBondContact O-N 2.81Å; L1202-I1205 PolarHBondContact O-N 3.26Å; I1205-S1208 PolarHBondContact O-N 2.9Å; I1205-V1209 HydrophobicContact CG2-CG2 4.12Å; I1205-V1209 WeakPolarHBondContact O-CB 3.29Å; I1205-V1209 VanDerWaalsContact O-CG2 3.26Å; I1205-V1209 WeakPolarHBondContact O-CG2 3.25Å; I1205-V1209 PolarHBondContact O-N 3.49Å
1206L87.4Confident85.3Confident12 Ų1245.2 Ų45.26%0.06325%0.254CS..Hα-helixtrans-61.3-48179.2-74.3171.7000112.1T922 L925 M1089 L1202 E1203 S1208 V1209 M1210T922-L1206 HydrophobicContact CG2-CD2 4.33Å; L925-L1206 HydrophobicContact CB-CD2 3.58Å; L925-L1206 HydrophobicContact CD1-CD2 3.59Å; L925-L1206 HydrophobicContact CG-CD2 4.22Å; M1089-L1206 HydrophobicContact CE-CD1 2.97Å; M1089-L1206 HydrophobicContact CE-CG 4.47Å; L1202-L1206 HydrophobicContact CD1-CD1 3.93Å; L1202-L1206 HydrophobicContact CD1-CD2 4.5Å; L1202-L1206 HydrophobicContact CD1-CG 3.9Å; L1202-L1206 HydrophobicContact CD2-CD1 4.28Å; L1202-L1206 HydrophobicContact CG-CD1 3.69Å; L1202-L1206 HydrophobicContact CG-CG 4.14Å; L1202-L1206 WeakPolarHBondContact O-CB 3.45Å; L1202-L1206 WeakPolarHBondContact O-CG 3.33Å; L1202-L1206 PolarHBondContact O-N 3.46Å; E1203-L1206 PolarHBondContact O-N 2.89Å; L1206-S1208 VanDerWaalsContact C-N 3.27Å; L1206-S1208 PolarHBondContact O-N 3.48Å; L1206-V1209 PolarHBondContact O-N 3.38Å; L1206-M1210 WeakPolarHBondContact O-CB 3.25Å; L1206-M1210 WeakPolarHBondContact O-CG 3.41Å; L1206-M1210 PolarHBondContact O-N 3.06Å
1207A86.6Confident86.9Confident64 Ų6445.3 Ų45.353%0.52926%0.255SS..Hα-helixtrans-59.1-41.1178.900000111.6E1203 A1211E1203-A1207 VanDerWaalsContact O-CB 3.26Å; E1203-A1207 WeakPolarHBondContact O-CB 3.34Å; E1203-A1207 PolarHBondContact O-N 3.34Å; A1207-A1211 WeakPolarHBondContact O-CB 3.45Å; A1207-A1211 PolarHBondContact O-N 3.41Å
1208S90.9Very high88.2Confident31 Ų3141.5 Ų41.522%0.21724%0.237CC..Hα-helixtrans-74.8-41.5-177.7-53.90000112.6L1131 Q1204 I1205 L1206L1131-S1208 VanDerWaalsContact CD2-OG 3.26Å; L1131-S1208 WeakPolarHBondContact CD2-OG 3.31Å; Q1204-S1208 WeakPolarHBondContact O-CB 3.2Å; Q1204-S1208 PolarHBondContact O-N 3.29Å; Q1204-S1208 PolarHBondContact O-OG 2.86Å; I1205-S1208 PolarHBondContact O-N 2.9Å; L1206-S1208 VanDerWaalsContact C-N 3.27Å; L1206-S1208 PolarHBondContact O-N 3.48Å
1209V90.1Very high88.4Confident1 Ų141.6 Ų41.61%0.00624%0.238CC..Hα-helixtrans-70.4-39.1177.4174.30000111.1L925 W1104 T1127 I1205 L1206 E1212 L1215 F1219L925-V1209 HydrophobicContact CD1-CB 4.1Å; L925-V1209 HydrophobicContact CD1-CG1 3.68Å; L925-V1209 HydrophobicContact CD2-CG1 4.37Å; W1104-V1209 HydrophobicContact CH2-CG2 3.91Å; W1104-V1209 HydrophobicContact CZ3-CG2 4.43Å; T1127-V1209 HydrophobicContact CG2-CG2 4.21Å; I1205-V1209 HydrophobicContact CG2-CG2 4.12Å; I1205-V1209 WeakPolarHBondContact O-CB 3.29Å; I1205-V1209 VanDerWaalsContact O-CG2 3.26Å; I1205-V1209 WeakPolarHBondContact O-CG2 3.25Å; I1205-V1209 PolarHBondContact O-N 3.49Å; L1206-V1209 PolarHBondContact O-N 3.38Å; V1209-E1212 PolarHBondContact O-N 2.89Å; V1209-L1215 HydrophobicContact CG1-CB 3.89Å; V1209-L1215 HydrophobicContact CG1-CD1 4.43Å; V1209-F1219 HydrophobicContact CG1-CD2 3.87Å; V1209-F1219 HydrophobicContact CG1-CE2 4.05Å
1210M88.6Confident88.9Confident71 Ų7142 Ų4235%0.3524%0.242SC..Hα-helixtrans-77-21.3179.4-66.3-52.2-48.400113.7A921 L1206 E1212 A1216A921-M1210 HydrophobicContact CB-CE 4.16Å; A921-M1210 HydrophobicContact CB-SD 3.48Å; A921-M1210 WeakPolarHBondContact CB-SD 3.35Å; L1206-M1210 WeakPolarHBondContact O-CB 3.25Å; L1206-M1210 WeakPolarHBondContact O-CG 3.41Å; L1206-M1210 PolarHBondContact O-N 3.06Å; M1210-E1212 VanDerWaalsContact C-N 3.3Å; M1210-A1216 HydrophobicContact CE-CB 3.54Å; M1210-A1216 HydrophobicContact SD-CB 4.31Å
1211A89.7Confident89.2Confident79 Ų7949.1 Ų49.165%0.65327%0.269SS*.Hα-helixtrans-71.7-27.6172.800000112.3A1207A1207-A1211 WeakPolarHBondContact O-CB 3.45Å; A1207-A1211 PolarHBondContact O-N 3.41Å
1212E92.1Very high89.5Confident61 Ų6153.1 Ų53.129%0.28528%0.284SS..SBendtrans-88.8107.7178.9-175.663.3-167.500110.2S1123 V1209 M1210 T1214 L1215 A1216S1123-E1212 WeakPolarHBondContact CB-OE1 3.21Å; S1123-E1212 PolarHBondContact OG-OE1 3.29Å; V1209-E1212 PolarHBondContact O-N 2.89Å; M1210-E1212 VanDerWaalsContact C-N 3.3Å; E1212-T1214 VanDerWaalsContact C-N 3.27Å; E1212-T1214 PolarHBondContact O-N 2.94Å; E1212-T1214 VanDerWaalsContact O-N 3.17Å; E1212-L1215 HydrophobicContact CB-CB 4.4Å; E1212-L1215 HydrophobicContact CB-CD1 4.25Å; E1212-L1215 HydrophobicContact CB-CG 4.27Å; E1212-L1215 HydrophobicContact CG-CB 4.43Å; E1212-L1215 HydrophobicContact CG-CD1 4.11Å; E1212-L1215 HydrophobicContact CG-CG 3.89Å; E1212-L1215 PolarHBondContact O-N 3.49Å; E1212-A1216 PolarHBondContact O-N 3.08Å
1213T89.9Confident89.9Confident100 Ų10054.7 Ų54.761%0.61329%0.29SS*.Hα-helixtrans-57-38.6-169.954.10000113.4L1215 A1216 D1217T1213-L1215 VanDerWaalsContact C-N 3.35Å; T1213-L1215 PolarHBondContact O-N 2.99Å; T1213-A1216 PolarHBondContact O-N 3.26Å; T1213-D1217 WeakPolarHBondContact O-CB 3.33Å; T1213-D1217 VanDerWaalsContact O-CG 3.28Å; T1213-D1217 PolarHBondContact O-N 3.46Å
1214T91Very high90.3Very high38 Ų3853.4 Ų53.423%0.23329%0.29CS..Hα-helixtrans-64.8-38.7-179.8-51.10000112.1V1120 S1123 E1212 F1218V1120-T1214 HydrophobicContact CB-CG2 4.46Å; V1120-T1214 HydrophobicContact CG2-CG2 3.91Å; S1123-T1214 WeakPolarHBondContact OG-CB 3.44Å; S1123-T1214 PolarHBondContact OG-OG1 2.97Å; E1212-T1214 VanDerWaalsContact C-N 3.27Å; E1212-T1214 PolarHBondContact O-N 2.94Å; E1212-T1214 VanDerWaalsContact O-N 3.17Å; T1214-F1218 WeakPolarHBondContact O-CB 3.41Å; T1214-F1218 PolarHBondContact O-N 3.49Å; T1214-F1218 VanDerWaalsContact O-N 3.15Å
1215L90.4Very high90.6Very high0 Ų051.4 Ų51.40%028%0.281CS..Hα-helixtrans-78.6-39.2178.9-58.5-176.1000111.4V1120 L1124 T1127 V1209 E1212 T1213 D1217 F1218 F1219V1120-L1215 HydrophobicContact CG1-CD2 3.97Å; L1124-L1215 HydrophobicContact CB-CD2 4.48Å; L1124-L1215 HydrophobicContact CD2-CD2 4.37Å; L1124-L1215 HydrophobicContact CG-CD2 3.73Å; T1127-L1215 HydrophobicContact CG2-CD1 4.18Å; T1127-L1215 WeakPolarHBondContact OG1-CD1 3.44Å; V1209-L1215 HydrophobicContact CG1-CB 3.89Å; V1209-L1215 HydrophobicContact CG1-CD1 4.43Å; E1212-L1215 HydrophobicContact CB-CB 4.4Å; E1212-L1215 HydrophobicContact CB-CD1 4.25Å; E1212-L1215 HydrophobicContact CB-CG 4.27Å; E1212-L1215 HydrophobicContact CG-CB 4.43Å; E1212-L1215 HydrophobicContact CG-CD1 4.11Å; E1212-L1215 HydrophobicContact CG-CG 3.89Å; E1212-L1215 PolarHBondContact O-N 3.49Å; T1213-L1215 VanDerWaalsContact C-N 3.35Å; T1213-L1215 PolarHBondContact O-N 2.99Å; L1215-D1217 PolarHBondContact O-N 3.29Å; L1215-F1218 PolarHBondContact O-N 3.39Å; L1215-F1219 VanDerWaalsContact O-CD2 3.32Å; L1215-F1219 WeakPolarHBondContact O-CD2 3.48Å; L1215-F1219 PolarHBondContact O-N 3.08Å
1216A89.7Confident90.7Very high11 Ų1154.5 Ų54.59%0.09130%0.297CS..Hα-helixtrans-54.6-51.5171.400000110.8M1210 E1212 T1213 F1218 F1219 E1220M1210-A1216 HydrophobicContact CE-CB 3.54Å; M1210-A1216 HydrophobicContact SD-CB 4.31Å; E1212-A1216 PolarHBondContact O-N 3.08Å; T1213-A1216 PolarHBondContact O-N 3.26Å; A1216-F1218 VanDerWaalsContact C-N 3.31Å; A1216-F1218 PolarHBondContact O-N 2.85Å; A1216-F1219 PolarHBondContact O-N 2.93Å; A1216-E1220 WeakPolarHBondContact O-CB 3.23Å; A1216-E1220 PolarHBondContact O-N 2.88Å
1217D90Very high90.9Very high120 Ų12056.7 Ų56.764%0.64232%0.317SS*.Hα-helixtrans-62.1-37.3178.4-74.4-15.8000112.4T1213 L1215 R1221T1213-D1217 WeakPolarHBondContact O-CB 3.33Å; T1213-D1217 VanDerWaalsContact O-CG 3.28Å; T1213-D1217 PolarHBondContact O-N 3.46Å; L1215-D1217 PolarHBondContact O-N 3.29Å; D1217-R1221 PolarHBondContact O-N 3.3Å
1218F91.1Very high91.1Very high27 Ų2754.2 Ų54.212%0.11830%0.295CS..Hα-helixtrans-63.5-51.1177.2177.4-97.2000112M1110 L1111 V1120 T1214 L1215 A1216 R1221M1110-F1218 HydrophobicContact CE-CE1 4.03Å; M1110-F1218 HydrophobicContact CE-CZ 4.23Å; L1111-F1218 HydrophobicContact CD2-CE2 3.84Å; L1111-F1218 HydrophobicContact CD2-CZ 3.9Å; V1120-F1218 HydrophobicContact CG1-CB 4.33Å; V1120-F1218 HydrophobicContact CG1-CD2 4.03Å; V1120-F1218 HydrophobicContact CG1-CE2 4.5Å; V1120-F1218 HydrophobicContact CG1-CG 4.05Å; V1120-F1218 HydrophobicContact CG2-CD2 4.32Å; T1214-F1218 WeakPolarHBondContact O-CB 3.41Å; T1214-F1218 PolarHBondContact O-N 3.49Å; T1214-F1218 VanDerWaalsContact O-N 3.15Å; L1215-F1218 PolarHBondContact O-N 3.39Å; A1216-F1218 VanDerWaalsContact C-N 3.31Å; A1216-F1218 PolarHBondContact O-N 2.85Å; F1218-R1221 WeakPolarHBondContact O-CB 3.35Å; F1218-R1221 PolarHBondContact O-N 2.8Å
1219F90.8Very high91.1Very high6 Ų653.4 Ų53.43%0.02629%0.288CS..Hα-helixtrans-75.4-25.2-179.8-74.5-72.4000112.8A921 K924 L925 F928 F1107 M1110 V1209 L1215 A1216 R1221A921-F1219 HydrophobicContact CB-CB 3.71Å; K924-F1219 VanDerWaalsContact CD-O 3.28Å; K924-F1219 WeakPolarHBondContact CD-O 3.45Å; K924-F1219 WeakPolarHBondContact CE-O 3.31Å; K924-F1219 PolarHBondContact NZ-O 2.93Å; L925-F1219 HydrophobicContact CD1-CD2 4.45Å; L925-F1219 HydrophobicContact CD2-CD1 4.05Å; L925-F1219 HydrophobicContact CD2-CD2 4.04Å; L925-F1219 HydrophobicContact CD2-CE1 3.83Å; L925-F1219 HydrophobicContact CD2-CE2 3.84Å; L925-F1219 HydrophobicContact CD2-CG 4.16Å; L925-F1219 HydrophobicContact CD2-CZ 3.72Å; L925-F1219 HydrophobicContact CG-CD1 4.31Å; L925-F1219 HydrophobicContact CG-CD2 4.47Å; L925-F1219 HydrophobicContact CG-CG 4.28Å; F928-F1219 HydrophobicContact CD2-CE1 4.31Å; F928-F1219 HydrophobicContact CE2-CE1 4.06Å; F1107-F1219 HydrophobicContact CD1-CE1 4.31Å; F1107-F1219 AromaticContact CD1-CZ 3.83Å; F1107-F1219 HydrophobicContact CD1-CZ 3.83Å; F1107-F1219 HydrophobicContact CD2-CZ 4.35Å; F1107-F1219 HydrophobicContact CE1-CE1 4.06Å; F1107-F1219 AromaticContact CE1-CZ 3.78Å; F1107-F1219 HydrophobicContact CE1-CZ 3.78Å; F1107-F1219 HydrophobicContact CE2-CZ 4.31Å; F1107-F1219 HydrophobicContact CG-CZ 4.13Å; F1107-F1219 HydrophobicContact CZ-CZ 4.03Å; M1110-F1219 HydrophobicContact CE-CE1 4.41Å; V1209-F1219 HydrophobicContact CG1-CD2 3.87Å; V1209-F1219 HydrophobicContact CG1-CE2 4.05Å; L1215-F1219 VanDerWaalsContact O-CD2 3.32Å; L1215-F1219 WeakPolarHBondContact O-CD2 3.48Å; L1215-F1219 PolarHBondContact O-N 3.08Å; A1216-F1219 PolarHBondContact O-N 2.93Å; F1219-R1221 VanDerWaalsContact C-N 3.28Å; F1219-R1221 PolarHBondContact O-N 2.82Å
1220E91.8Very high90.9Very high75 Ų7560.6 Ų60.635%0.3532%0.319SS..Hα-helixtrans-77.7-15.7176.8-16257.6-148.700112.6A921 A1216 K1222A921-E1220 WeakPolarHBondContact CB-OE2 3.31Å; A921-E1220 PolarHBondContact N-OE2 2.91Å; A1216-E1220 WeakPolarHBondContact O-CB 3.23Å; A1216-E1220 PolarHBondContact O-N 2.88Å; E1220-K1222 PolarHBondContact O-N 3.39Å
1221R91.8Very high90.8Very high152 Ų15262.3 Ų62.357%0.57433%0.325SS*.  trans-58.4130.6-179.6-171168178.9-176.54.9112.3K924 D1217 F1218 F1219 Y1223K924-R1221 PolarHBondContact NZ-O 3.31Å; D1217-R1221 PolarHBondContact O-N 3.3Å; F1218-R1221 WeakPolarHBondContact O-CB 3.35Å; F1218-R1221 PolarHBondContact O-N 2.8Å; F1219-R1221 VanDerWaalsContact C-N 3.28Å; F1219-R1221 PolarHBondContact O-N 2.82Å; R1221-Y1223 HydrophobicContact CB-CE2 4.1Å; R1221-Y1223 WeakPolarHBondContact CD-OH 3.4Å; R1221-Y1223 HydrophobicContact CG-CE1 4.35Å; R1221-Y1223 HydrophobicContact CG-CE2 3.96Å; R1221-Y1223 WeakPolarHBondContact O-CE2 3.37Å
1222K92.9Very high90.6Very high134 Ų13458.6 Ų58.658%0.58329%0.294SS*.  trans-101.6142.2177.5-60-177.8-179177.20111.1L917 E1220L917-K1222 WeakPolarHBondContact O-CA 3.26Å; E1220-K1222 PolarHBondContact O-N 3.39Å
1223Y93Very high90Very high37 Ų3759.3 Ų59.315%0.14529%0.294CS..  trans-119.2145.4-176.9-61.3-92.2000111.3P881 W882 L917 R1221P881-Y1223 HydrophobicContact CB-CD1 3.46Å; P881-Y1223 VanDerWaalsContact CB-CD1 3.46Å; P881-Y1223 HydrophobicContact CB-CE1 3.5Å; P881-Y1223 VanDerWaalsContact CB-CE1 3.5Å; P881-Y1223 HydrophobicContact CB-CG 4.04Å; P881-Y1223 HydrophobicContact CG-CD1 3.61Å; P881-Y1223 HydrophobicContact CG-CD2 3.85Å; P881-Y1223 HydrophobicContact CG-CE1 3.65Å; P881-Y1223 HydrophobicContact CG-CE2 3.91Å; P881-Y1223 HydrophobicContact CG-CG 3.7Å; W882-Y1223 HydrophobicContact CE3-CE2 4.37Å; W882-Y1223 HydrophobicContact CH2-CD2 4.26Å; W882-Y1223 AromaticContact CH2-CE2 3.86Å; W882-Y1223 HydrophobicContact CH2-CE2 3.86Å; W882-Y1223 HydrophobicContact CZ3-CD2 4.11Å; W882-Y1223 AromaticContact CZ3-CE2 3.34Å; W882-Y1223 HydrophobicContact CZ3-CE2 3.34Å; W882-Y1223 AromaticContact CZ3-CZ 3.6Å; L917-Y1223 PolarHBondContact O-N 3.42Å; R1221-Y1223 HydrophobicContact CB-CE2 4.1Å; R1221-Y1223 WeakPolarHBondContact CD-OH 3.4Å; R1221-Y1223 HydrophobicContact CG-CE1 4.35Å; R1221-Y1223 HydrophobicContact CG-CE2 3.96Å; R1221-Y1223 WeakPolarHBondContact O-CE2 3.37Å
1224S92.7Very high89.3Confident58 Ų5862.5 Ų62.541%0.40630%0.3SS..  trans-83.5121.7175.5169.30000109.9A1227 L1228S1224-A1227 PolarHBondContact O-N 2.85Å; S1224-A1227 PolarHBondContact OG-N 3.41Å; S1224-L1228 PolarHBondContact O-N 3.01Å
1225L93.4Very high88.4Confident0 Ų063.6 Ų63.60%031%0.307CS..Hα-helixtrans-64-41.9176.6-177.560.9000111.1F816 E820 L824 L913 L917 A1227 L1228 I1229F816-L1225 HydrophobicContact CD1-CB 4.46Å; F816-L1225 HydrophobicContact CD1-CD2 4.11Å; F816-L1225 HydrophobicContact CD2-CD2 3.95Å; F816-L1225 HydrophobicContact CE1-CB 4.12Å; F816-L1225 HydrophobicContact CE1-CD2 4.07Å; F816-L1225 HydrophobicContact CE2-CD2 3.89Å; F816-L1225 HydrophobicContact CG-CD2 4.07Å; F816-L1225 HydrophobicContact CZ-CD1 4.49Å; F816-L1225 HydrophobicContact CZ-CD2 3.96Å; E820-L1225 HydrophobicContact CB-CD2 4.13Å; L824-L1225 HydrophobicContact CB-CD2 4.12Å; L824-L1225 HydrophobicContact CD2-CD2 4.36Å; L913-L1225 HydrophobicContact CD2-CD1 3.91Å; L917-L1225 HydrophobicContact CD1-CB 4.47Å; L917-L1225 HydrophobicContact CD1-CD1 3.85Å; L1225-A1227 VanDerWaalsContact C-N 3.27Å; L1225-A1227 PolarHBondContact O-N 2.88Å; L1225-L1228 CarbonylContact O-C 3.57Å; L1225-L1228 WeakPolarHBondContact O-CA 3.46Å; L1225-L1228 WeakPolarHBondContact O-CB 3.21Å; L1225-L1228 PolarHBondContact O-N 3.29Å; L1225-I1229 HydrophobicContact CD1-CD1 4.24Å; L1225-I1229 HydrophobicContact CD1-CG1 4.22Å; L1225-I1229 HydrophobicContact CD2-CD1 4.31Å; L1225-I1229 HydrophobicContact CG-CD1 3.83Å; L1225-I1229 HydrophobicContact CG-CG1 4.22Å; L1225-I1229 WeakPolarHBondContact O-CG1 3.35Å; L1225-I1229 PolarHBondContact O-N 3.12Å
1226D90.5Very high87.2Confident68 Ų6866.4 Ų66.436%0.36432%0.317SS..Hα-helixtrans-56.5-39.3177.4-67.3-21.4000113.3L1228 K1230D1226-L1228 VanDerWaalsContact C-N 3.33Å; D1226-K1230 WeakPolarHBondContact O-CB 3.27Å; D1226-K1230 VanDerWaalsContact O-CG 3.27Å; D1226-K1230 WeakPolarHBondContact O-CG 3.49Å; D1226-K1230 PolarHBondContact O-N 3.03Å
1227A91.1Very high85.8Confident57 Ų5767.7 Ų67.747%0.47132%0.321SS..Hα-helixtrans-66.5-38.4176.900000111.6S1224 L1225 K1230 K1231S1224-A1227 PolarHBondContact O-N 2.85Å; S1224-A1227 PolarHBondContact OG-N 3.41Å; L1225-A1227 VanDerWaalsContact C-N 3.27Å; L1225-A1227 PolarHBondContact O-N 2.88Å; A1227-K1230 PolarHBondContact O-N 3.24Å; A1227-K1231 PolarHBondContact O-N 2.72Å
1228L91.8Very high83.8Confident13 Ų1364 Ų647%0.06831%0.305CS..Hα-helixtrans-71.7-39.9178-68.7164000111.7L879 P881 L917 S1224 L1225 D1226 K1230 K1231 Y1232L879-L1228 WeakPolarHBondContact O-CD1 3.43Å; P881-L1228 HydrophobicContact CB-CD2 4.15Å; L917-L1228 HydrophobicContact CD1-CD1 3.74Å; L917-L1228 HydrophobicContact CD2-CD1 3.77Å; L917-L1228 HydrophobicContact CG-CD1 4.43Å; S1224-L1228 PolarHBondContact O-N 3.01Å; L1225-L1228 CarbonylContact O-C 3.57Å; L1225-L1228 WeakPolarHBondContact O-CA 3.46Å; L1225-L1228 WeakPolarHBondContact O-CB 3.21Å; L1225-L1228 PolarHBondContact O-N 3.29Å; D1226-L1228 VanDerWaalsContact C-N 3.33Å; L1228-K1230 PolarHBondContact O-N 2.86Å; L1228-K1231 CarbonylContact O-C 3.58Å; L1228-K1231 WeakPolarHBondContact O-CB 3.5Å; L1228-K1231 PolarHBondContact O-N 3.07Å; L1228-K1231 VanDerWaalsContact O-N 3.17Å; L1228-Y1232 WeakPolarHBondContact O-CB 3.27Å; L1228-Y1232 PolarHBondContact O-N 2.88Å
1229I89.8Confident81.2Confident13 Ų1368.6 Ų68.67%0.06734%0.335CS..Hα-helixtrans-63.3-41.2172.8-68.4176.1000110.8A823 V827 L879 L1225 K1231 Y1232 Y1233A823-I1229 HydrophobicContact CB-CD1 3.76Å; V827-I1229 HydrophobicContact CG2-CD1 4.41Å; V827-I1229 HydrophobicContact CG2-CG1 4.28Å; V827-I1229 HydrophobicContact CG2-CG2 3.83Å; L879-I1229 HydrophobicContact CD2-CG1 3.98Å; L1225-I1229 HydrophobicContact CD1-CD1 4.24Å; L1225-I1229 HydrophobicContact CD1-CG1 4.22Å; L1225-I1229 HydrophobicContact CD2-CD1 4.31Å; L1225-I1229 HydrophobicContact CG-CD1 3.83Å; L1225-I1229 HydrophobicContact CG-CG1 4.22Å; L1225-I1229 WeakPolarHBondContact O-CG1 3.35Å; L1225-I1229 PolarHBondContact O-N 3.12Å; I1229-K1231 VanDerWaalsContact C-N 3.31Å; I1229-K1231 PolarHBondContact O-N 2.86Å; I1229-Y1232 VanDerWaalsContact O-CB 3.25Å; I1229-Y1232 WeakPolarHBondContact O-CB 3.37Å; I1229-Y1232 PolarHBondContact O-N 3.23Å; I1229-Y1233 HydrophobicContact CG2-CD2 3.76Å; I1229-Y1233 HydrophobicContact CG2-CE2 3.59Å; I1229-Y1233 VanDerWaalsContact O-CD2 3.25Å; I1229-Y1233 WeakPolarHBondContact O-CD2 3.26Å; I1229-Y1233 PolarHBondContact O-N 3.22Å
1230K86.8Confident78.4Confident153 Ų15374.2 Ų74.267%0.66537%0.365SS*.Hα-helixtrans-61.5-39.5173.3-74.7169.3-175.7169.50112.1D1226 A1227 L1228 K1234D1226-K1230 WeakPolarHBondContact O-CB 3.27Å; D1226-K1230 VanDerWaalsContact O-CG 3.27Å; D1226-K1230 WeakPolarHBondContact O-CG 3.49Å; D1226-K1230 PolarHBondContact O-N 3.03Å; A1227-K1230 PolarHBondContact O-N 3.24Å; L1228-K1230 PolarHBondContact O-N 2.86Å; K1230-K1234 WeakPolarHBondContact O-CB 3.5Å; K1230-K1234 PolarHBondContact O-N 2.99Å; K1230-K1234 VanDerWaalsContact O-N 3.14Å
1231K87Confident75.4Confident106 Ų10674.4 Ų74.446%0.46137%0.374SS..Hα-helixtrans-65.7-40.3174-176.9-171.1173.5-164.90111.4A1227 L1228 I1229 K1234 T1235A1227-K1231 PolarHBondContact O-N 2.72Å; L1228-K1231 CarbonylContact O-C 3.58Å; L1228-K1231 WeakPolarHBondContact O-CB 3.5Å; L1228-K1231 PolarHBondContact O-N 3.07Å; L1228-K1231 VanDerWaalsContact O-N 3.17Å; I1229-K1231 VanDerWaalsContact C-N 3.31Å; I1229-K1231 PolarHBondContact O-N 2.86Å; K1231-K1234 PolarHBondContact O-N 3.43Å; K1231-T1235 HydrophobicContact CG-CG2 4.36Å; K1231-T1235 WeakPolarHBondContact O-CG2 3.42Å; K1231-T1235 PolarHBondContact O-N 3.09Å; K1231-T1235 PolarHBondContact O-OG1 3.43Å
1232Y85.1Confident72.3Confident1 Ų173.5 Ų73.50%0.00438%0.38CS..Hα-helixtrans-54.4-56.6175.6-178.8-82.7000110.6V827 E831 R878 L879 L1228 I1229 K1234 T1235 R1236V827-Y1232 HydrophobicContact CG1-CD1 4.03Å; V827-Y1232 HydrophobicContact CG1-CD2 4.47Å; V827-Y1232 HydrophobicContact CG1-CE1 3.84Å; V827-Y1232 HydrophobicContact CG1-CE2 4.29Å; V827-Y1232 HydrophobicContact CG1-CG 4.39Å; E831-Y1232 HydrophobicContact CG-CE1 4.37Å; E831-Y1232 WeakPolarHBondContact CG-OH 3.45Å; E831-Y1232 PolarHBondContact OE1-OH 3.41Å; R878-Y1232 HydrophobicContact CB-CD2 3.45Å; R878-Y1232 VanDerWaalsContact CB-CD2 3.45Å; R878-Y1232 HydrophobicContact CB-CE2 3.7Å; R878-Y1232 HydrophobicContact CG-CD2 4.41Å; R878-Y1232 HydrophobicContact CG-CE2 4.31Å; L879-Y1232 HydrophobicContact CD2-CD2 4.12Å; L879-Y1232 HydrophobicContact CD2-CG 4.4Å; L879-Y1232 HydrophobicContact CG-CD2 4.36Å; L1228-Y1232 WeakPolarHBondContact O-CB 3.27Å; L1228-Y1232 PolarHBondContact O-N 2.88Å; I1229-Y1232 VanDerWaalsContact O-CB 3.25Å; I1229-Y1232 WeakPolarHBondContact O-CB 3.37Å; I1229-Y1232 PolarHBondContact O-N 3.23Å; Y1232-K1234 VanDerWaalsContact C-N 3.29Å; Y1232-K1234 PolarHBondContact O-N 3.44Å; Y1232-T1235 PolarHBondContact O-OG1 2.96Å; Y1232-T1235 VanDerWaalsContact O-OG1 3.04Å; Y1232-T1235 PolarHBondContact O-N 3.2Å; Y1232-R1236 HydrophobicContact CE1-CB 4.3Å; Y1232-R1236 HydrophobicContact CE1-CG 4.39Å; Y1232-R1236 VanDerWaalsContact O-CB 3.3Å; Y1232-R1236 WeakPolarHBondContact O-CB 3.35Å; Y1232-R1236 PolarHBondContact O-N 3.06Å
1233Y78.9Confident69Low77 Ų7777.7 Ų77.730%0.30241%0.409SS..Hα-helixtrans-60.7-35.9178.2-78.9-65.8000113.3V827 E830 I1229 F1237V827-Y1233 HydrophobicContact CG2-CE2 3.94Å; E830-Y1233 WeakPolarHBondContact OE2-CE1 3.41Å; E830-Y1233 PolarHBondContact OE2-OH 2.86Å; I1229-Y1233 HydrophobicContact CG2-CD2 3.76Å; I1229-Y1233 HydrophobicContact CG2-CE2 3.59Å; I1229-Y1233 VanDerWaalsContact O-CD2 3.25Å; I1229-Y1233 WeakPolarHBondContact O-CD2 3.26Å; I1229-Y1233 PolarHBondContact O-N 3.22Å; Y1233-F1237 HydrophobicContact CD1-CD2 4.24Å; Y1233-F1237 AromaticContact CD1-CE2 3.78Å; Y1233-F1237 HydrophobicContact CD1-CE2 3.78Å; Y1233-F1237 HydrophobicContact CE1-CE2 4.24Å; Y1233-F1237 WeakPolarHBondContact O-CD2 3.47Å
1234K76.4Confident67.8Low166 Ų16679.8 Ų79.872%0.72242%0.422SS*.Hα-helixtrans-68.4-41.1177.9-170.3178.1179.1-1760112.4K1230 K1231 Y1232 S1238K1230-K1234 WeakPolarHBondContact O-CB 3.5Å; K1230-K1234 PolarHBondContact O-N 2.99Å; K1230-K1234 VanDerWaalsContact O-N 3.14Å; K1231-K1234 PolarHBondContact O-N 3.43Å; Y1232-K1234 VanDerWaalsContact C-N 3.29Å; Y1232-K1234 PolarHBondContact O-N 3.44Å; K1234-S1238 VanDerWaalsContact O-CB 3.31Å; K1234-S1238 PolarHBondContact O-N 3.43Å; K1234-S1238 WeakPolarHBondContact O-CB 3.46Å
1235T71.2Confident66.4Low62 Ų6280.9 Ų80.938%0.3842%0.423SS..Hα-helixtrans-78.7-41.1-176.449.20000112.2K1231 Y1232 F1237 S1238K1231-T1235 HydrophobicContact CG-CG2 4.36Å; K1231-T1235 WeakPolarHBondContact O-CG2 3.42Å; K1231-T1235 PolarHBondContact O-N 3.09Å; K1231-T1235 PolarHBondContact O-OG1 3.43Å; Y1232-T1235 PolarHBondContact O-OG1 2.96Å; Y1232-T1235 VanDerWaalsContact O-OG1 3.04Å; Y1232-T1235 PolarHBondContact O-N 3.2Å; T1235-F1237 VanDerWaalsContact C-N 3.28Å; T1235-F1237 PolarHBondContact O-N 3.39Å; T1235-S1238 PolarHBondContact O-N 3.3Å
1236R65.8Low64.9Low58 Ų5885.4 Ų85.422%0.21945%0.446CS..Hα-helixtrans-61.8-32.3-179.5-178.462.6-176.993.8-6.4114.2E831 Y1232E831-R1236 IonicContact OE1-NE 3.98Å; E831-R1236 PolarHBondContact OE1-NE 3.09Å; E831-R1236 IonicContact OE2-NE 2.59Å; E831-R1236 PolarHBondContact OE2-NE 3.43Å; E831-R1236 IonicContact OE2-NH2 3.6Å; Y1232-R1236 HydrophobicContact CE1-CB 4.3Å; Y1232-R1236 HydrophobicContact CE1-CG 4.39Å; Y1232-R1236 VanDerWaalsContact O-CB 3.3Å; Y1232-R1236 WeakPolarHBondContact O-CB 3.35Å; Y1232-R1236 PolarHBondContact O-N 3.06Å
1237F58.9Low63.4Low39 Ų3986.4 Ų86.417%0.17145%0.451CS..THydrogen-bonded Turntrans-111.610.2-176.8-60.1-70.9000113.4S150 P152 Y1233 T1235S150-F1237 WeakPolarHBondContact CB-O 3.38Å; S150-F1237 PolarHBondContact OG-O 3.27Å; P152-F1237 HydrophobicContact CG-CE1 4.15Å; Y1233-F1237 HydrophobicContact CD1-CD2 4.24Å; Y1233-F1237 AromaticContact CD1-CE2 3.78Å; Y1233-F1237 HydrophobicContact CD1-CE2 3.78Å; Y1233-F1237 HydrophobicContact CE1-CE2 4.24Å; Y1233-F1237 WeakPolarHBondContact O-CD2 3.47Å; T1235-F1237 VanDerWaalsContact C-N 3.28Å; T1235-F1237 PolarHBondContact O-N 3.39Å
1238S48.3Very low61.7Low43 Ų4388.3 Ų88.330%0.30145%0.45SS..SBendtrans-85138171.5-1650000110.6K1234 T1235 D1240 S1241K1234-S1238 VanDerWaalsContact O-CB 3.31Å; K1234-S1238 PolarHBondContact O-N 3.43Å; K1234-S1238 WeakPolarHBondContact O-CB 3.46Å; T1235-S1238 PolarHBondContact O-N 3.3Å; S1238-D1240 PolarHBondContact O-N 2.9Å; S1238-D1240 VanDerWaalsContact O-N 3.08Å; S1238-S1241 PolarHBondContact O-N 2.99Å; S1238-S1241 PolarHBondContact O-OG 3.43Å
1239T37.1Very low59.7Low122 Ų12293.3 Ų93.375%0.74848%0.475SS*.G310 helixtrans-62-11.1176.733.40000114.1S1241T1239-S1241 VanDerWaalsContact C-N 3.3Å; T1239-S1241 PolarHBondContact O-N 2.64Å
1240D32.3Very low57.6Low125 Ų12599 Ų9967%0.66850%0.504SS*.G310 helixtrans-80.8-3178.4-60.2-37.9000114.2S1238 I1242S1238-D1240 PolarHBondContact O-N 2.9Å; S1238-D1240 VanDerWaalsContact O-N 3.08Å; D1240-I1242 PolarHBondContact O-N 2.91Å
1241S27.7Very low55.3Low78 Ų7894.8 Ų94.855%0.54549%0.492SS..G310 helixtrans-82.79.118055.30000114.7S1238 T1239S1238-S1241 PolarHBondContact O-N 2.99Å; S1238-S1241 PolarHBondContact O-OG 3.43Å; T1239-S1241 VanDerWaalsContact C-N 3.3Å; T1239-S1241 PolarHBondContact O-N 2.64Å
1242I27.9Very low52.7Low134 Ų13493.9 Ų93.969%0.68750%0.495SS*.G310 helixtrans-109.227.9177.6-52.2172.8000111.2D1240D1240-I1242 PolarHBondContact O-N 2.91Å
1243N22.7Very low49.7Very low222 Ų222102.4 Ų102.4100%1.18754%0.539SS*.  trans-125.80170.4-77.8-33.2000111.5

Retrieved 1,243 of 1,243 residues in 953.5 ms (Link to these results)

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