A0A087XJY4_POEFO Loading...

Transmembrane protein 87A

AlphaFold DB , UniProt , Accession A0A087XJY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 516 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
1F86.1Confident89.1Confident118 Ų11842.1 Ų42.152%0.51820%0.199SC..  0128.70-56.8-89.9000109.4F138 V140 M165 V167 M169F1-F138 HydrophobicContact CB-CB 4.31Å; F1-F138 AromaticContact CD2-CD1 3.95Å; F1-F138 HydrophobicContact CD2-CD1 3.95Å; F1-F138 PolarHBondContact N-O 3.27Å; F1-F138 PolarHBondContact O-N 3.16Å; F1-V140 HydrophobicContact CE2-CG2 4.4Å; F1-M165 HydrophobicContact CE2-CE 3.57Å; F1-M165 HydrophobicContact CZ-CE 3.67Å; F1-V167 HydrophobicContact CD1-CB 4.43Å; F1-V167 HydrophobicContact CD2-CG2 4.17Å; F1-V167 HydrophobicContact CE1-CB 4.32Å; F1-V167 HydrophobicContact CE1-CG2 4.15Å; F1-V167 HydrophobicContact CE2-CG2 3.76Å; F1-V167 HydrophobicContact CZ-CB 4.41Å; F1-V167 HydrophobicContact CZ-CG2 3.75Å; F1-M169 HydrophobicContact CB-CE 4.04Å
2R87.6Confident89.1Confident114 Ų11440.3 Ų40.343%0.4319%0.19SC..EExtended strand (participates in β ladder)trans-122.6131.5-178.661.6-173.8-179.5-172.24.5109.7V43 F44 Y136 L137R2-V43 HydrophobicContact CB-CG1 3.93Å; R2-F44 HydrophobicContact CG-CD1 4.27Å; R2-F44 HydrophobicContact CG-CE1 4.19Å; R2-F44 PolarHBondContact NH1-O 3.16Å; R2-Y136 WeakPolarHBondContact CA-O 3.48Å; R2-L137 HydrophobicContact CB-CD1 4.35Å
3K89.6Confident89Confident51 Ų5137.2 Ų37.222%0.22218%0.176CC..EExtended strand (participates in β ladder)trans-161.4147.3178.7-160.2175.5176.8178.40109.7L5 Y136 M169 Y175K3-L5 HydrophobicContact CB-CD2 4.12Å; K3-L5 HydrophobicContact CD-CD2 3.92Å; K3-L5 HydrophobicContact CG-CD2 4.1Å; K3-Y136 PolarHBondContact N-O 2.97Å; K3-Y136 VanDerWaalsContact N-O 3.09Å; K3-Y136 PolarHBondContact O-N 3.07Å; K3-M169 HydrophobicContact CB-SD 3.88Å; K3-M169 HydrophobicContact CD-CB 4.4Å; K3-M169 HydrophobicContact CD-SD 3.9Å; K3-Y175 PolarHBondContact NZ-O 3.44Å
4T90.8Very high88.8Confident5 Ų541.6 Ų41.63%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-80.5132.2163.932.40000108.8Y40 F44 G134 P135 S177 P178 W394T4-Y40 HydrophobicContact CG2-CD2 4.29Å; T4-Y40 HydrophobicContact CG2-CE2 4.18Å; T4-F44 HydrophobicContact CG2-CE2 4.19Å; T4-F44 HydrophobicContact CG2-CZ 4.39Å; T4-G134 CarbonylContact C-O 3.54Å; T4-G134 VanDerWaalsContact CA-O 3.28Å; T4-G134 WeakPolarHBondContact CA-O 3.45Å; T4-P135 HydrophobicContact CG2-CB 3.92Å; T4-S177 PolarHBondContact O-OG 3.42Å; T4-S177 PolarHBondContact OG1-OG 3.23Å; T4-P178 WeakPolarHBondContact O-CD 3.37Å; T4-W394 HydrophobicContact CG2-CD2 4.47Å; T4-W394 HydrophobicContact CG2-CE3 4.09Å; T4-W394 HydrophobicContact CG2-CZ3 4.4Å
5L90.9Very high88.5Confident4 Ų439.7 Ų39.72%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-124.1147.5-174.5-57.8178.8000110.3K3 T9 I11 A130 D133 G134 Y136 M169 P178K3-L5 HydrophobicContact CB-CD2 4.12Å; K3-L5 HydrophobicContact CD-CD2 3.92Å; K3-L5 HydrophobicContact CG-CD2 4.1Å; L5-T9 HydrophobicContact CB-CG2 4.34Å; L5-T9 HydrophobicContact CD1-CG2 4.33Å; L5-T9 HydrophobicContact CD2-CG2 3.84Å; L5-T9 HydrophobicContact CG-CG2 4.4Å; L5-I11 HydrophobicContact CD1-CD1 4.23Å; L5-A130 HydrophobicContact CB-CB 4.13Å; L5-A130 HydrophobicContact CD1-CB 4.21Å; L5-D133 WeakPolarHBondContact O-CA 3.49Å; L5-G134 PolarHBondContact N-O 3.36Å; L5-G134 PolarHBondContact O-N 3.24Å; L5-G134 VanDerWaalsContact O-N 3.1Å; L5-Y136 HydrophobicContact CB-CD2 3.65Å; L5-Y136 HydrophobicContact CB-CE2 3.92Å; L5-Y136 HydrophobicContact CB-CG 4.45Å; L5-Y136 HydrophobicContact CD1-CD1 4.4Å; L5-Y136 HydrophobicContact CD1-CD2 3.83Å; L5-Y136 HydrophobicContact CD1-CG 3.77Å; L5-Y136 HydrophobicContact CG-CD2 3.84Å; L5-Y136 HydrophobicContact CG-CG 4.22Å; L5-M169 HydrophobicContact CD1-SD 4.33Å; L5-M169 HydrophobicContact CD2-CB 3.99Å; L5-M169 HydrophobicContact CD2-CG 4.44Å; L5-M169 HydrophobicContact CD2-SD 3.87Å; L5-P178 VanDerWaalsContact C-CG 3.47Å
6Y90.4Very high87.8Confident33 Ų3343.1 Ų43.113%0.12920%0.2CC..  trans-75.2154.7166.9-69.7-76.8000110T9 A130 D133 H173 P178 W181Y6-T9 PolarHBondContact N-OG1 3.47Å; Y6-T9 VanDerWaalsContact O-CB 3.3Å; Y6-T9 WeakPolarHBondContact O-CB 3.31Å; Y6-T9 PolarHBondContact O-N 3.38Å; Y6-T9 PolarHBondContact O-OG1 3.5Å; Y6-A130 WeakPolarHBondContact O-CB 3.25Å; Y6-D133 WeakPolarHBondContact CA-OD1 3.28Å; Y6-H173 HydrophobicContact CE2-CB 4.24Å; Y6-H173 AromaticContact CE2-CD2 3.72Å; Y6-H173 AromaticContact CZ-CD2 3.65Å; Y6-P178 HydrophobicContact CD1-CB 4.17Å; Y6-P178 HydrophobicContact CD1-CG 3.7Å; Y6-P178 HydrophobicContact CD2-CG 3.7Å; Y6-P178 HydrophobicContact CE1-CB 3.75Å; Y6-P178 HydrophobicContact CE1-CG 3.74Å; Y6-P178 HydrophobicContact CE2-CB 4.21Å; Y6-P178 HydrophobicContact CE2-CG 3.74Å; Y6-P178 HydrophobicContact CG-CG 3.69Å; Y6-P178 VanDerWaalsContact CZ-CA 3.47Å; Y6-P178 WeakPolarHBondContact OH-CA 3.31Å; Y6-W181 WeakPolarHBondContact OH-CB 3.29Å
7A88.3Confident86.7Confident30 Ų3043.6 Ų43.625%0.24821%0.205CC..THydrogen-bonded Turntrans-52.8143.2164.400000109.9T9 D133A7-T9 VanDerWaalsContact C-N 3.25Å; A7-T9 PolarHBondContact O-N 2.87Å; A7-D133 PolarHBondContact N-OD1 2.92Å
8N87.4Confident85.3Confident88 Ų8848.9 Ų48.947%0.47124%0.235SC..THydrogen-bonded Turntrans65.815.6-175.4-60.2-36.8000116.2T10 K129 A130N8-T10 PolarHBondContact O-N 3.11Å; N8-K129 VanDerWaalsContact OD1-CE 3.25Å; N8-K129 WeakPolarHBondContact OD1-CE 3.41Å; N8-A130 WeakPolarHBondContact CA-O 3.38Å; N8-A130 PolarHBondContact N-O 3.29Å
9T88.8Confident83.8Confident4 Ų453.3 Ų53.33%0.02526%0.256CS..  trans-69.7125.8170.1-58.70000110.8L5 Y6 A7 K129 A130 M169 K170 G171L5-T9 HydrophobicContact CB-CG2 4.34Å; L5-T9 HydrophobicContact CD1-CG2 4.33Å; L5-T9 HydrophobicContact CD2-CG2 3.84Å; L5-T9 HydrophobicContact CG-CG2 4.4Å; Y6-T9 PolarHBondContact N-OG1 3.47Å; Y6-T9 VanDerWaalsContact O-CB 3.3Å; Y6-T9 WeakPolarHBondContact O-CB 3.31Å; Y6-T9 PolarHBondContact O-N 3.38Å; Y6-T9 PolarHBondContact O-OG1 3.5Å; A7-T9 VanDerWaalsContact C-N 3.25Å; A7-T9 PolarHBondContact O-N 2.87Å; T9-K129 CarbonylContact O-C 3.54Å; T9-K129 WeakPolarHBondContact O-CA 3.24Å; T9-A130 PolarHBondContact O-N 3.21Å; T9-M169 HydrophobicContact CG2-CB 4.36Å; T9-K170 WeakPolarHBondContact CA-O 3.18Å; T9-K170 WeakPolarHBondContact CG2-O 3.3Å; T9-G171 WeakPolarHBondContact OG1-CA 3.47Å
10T89.9Confident82.4Confident16 Ų1654.8 Ų54.810%0.09829%0.286CS..EExtended strand (participates in β ladder)trans-92.1137.5175.751.60000111N8 F12 E123 K129 K170N8-T10 PolarHBondContact O-N 3.11Å; T10-F12 WeakPolarHBondContact OG1-CE2 3.32Å; T10-F12 VanDerWaalsContact OG1-CZ 3.31Å; T10-F12 WeakPolarHBondContact OG1-CZ 3.49Å; T10-E123 PolarHBondContact OG1-OE2 3.32Å; T10-K129 HydrophobicContact CG2-CD 4.33Å; T10-K129 HydrophobicContact CG2-CG 4.11Å; T10-K170 PolarHBondContact N-O 3.49Å; T10-K170 PolarHBondContact O-N 3.47Å; T10-K170 PolarHBondContact OG1-O 3.18Å
11I90.5Very high81.2Confident0 Ų055 Ų550%029%0.293CS..EExtended strand (participates in β ladder)trans-105.9117.3178.5-53.1-178.3000107.7L5 L34 V127 A128 F138 V167 M169L5-I11 HydrophobicContact CD1-CD1 4.23Å; I11-L34 HydrophobicContact CD1-CD1 3.61Å; I11-L34 HydrophobicContact CD1-CD2 3.76Å; I11-L34 HydrophobicContact CD1-CG 4.32Å; I11-V127 PolarHBondContact O-N 3.3Å; I11-A128 HydrophobicContact CD1-CB 4.47Å; I11-A128 PolarHBondContact N-O 2.97Å; I11-F138 HydrophobicContact CD1-CD2 4.4Å; I11-F138 HydrophobicContact CG2-CD1 4.38Å; I11-F138 HydrophobicContact CG2-CE1 4.18Å; I11-F138 HydrophobicContact CG2-CE2 4.5Å; I11-F138 HydrophobicContact CG2-CZ 4.24Å; I11-V167 HydrophobicContact CG2-CG1 3.98Å; I11-M169 HydrophobicContact CD1-CE 4.42Å; I11-M169 HydrophobicContact CG1-CG 4.22Å; I11-M169 HydrophobicContact CG2-CE 4.49Å; I11-M169 HydrophobicContact CG2-CG 4.25Å
12F88.6Confident80.1Confident21 Ų2150.4 Ų50.49%0.09228%0.275CS..EExtended strand (participates in β ladder)trans-102.8140.6175.9-55.3-90.8000110.4T10 E123 I124 S125 A126 V167 E168 K170T10-F12 WeakPolarHBondContact OG1-CE2 3.32Å; T10-F12 VanDerWaalsContact OG1-CZ 3.31Å; T10-F12 WeakPolarHBondContact OG1-CZ 3.49Å; F12-E123 HydrophobicContact CE1-CB 4.12Å; F12-E123 WeakPolarHBondContact CZ-OE2 3.39Å; F12-I124 WeakPolarHBondContact CD1-O 3.45Å; F12-S125 CarbonylContact C-O 3.54Å; F12-S125 VanDerWaalsContact CA-O 3.24Å; F12-S125 WeakPolarHBondContact CA-O 3.43Å; F12-A126 HydrophobicContact CD1-CB 4.06Å; F12-A126 HydrophobicContact CE1-CB 3.99Å; F12-V167 WeakPolarHBondContact O-CA 3.43Å; F12-E168 HydrophobicContact CB-CB 4.18Å; F12-E168 HydrophobicContact CD2-CB 4.45Å; F12-E168 PolarHBondContact N-O 3.35Å; F12-E168 PolarHBondContact O-N 3.06Å; F12-K170 HydrophobicContact CE2-CB 4Å
13M88.5Confident79.1Confident0 Ų050 Ų500%028%0.278CS..EExtended strand (participates in β ladder)trans-121.1121.5174.2-171.9-177.4-61.900108.6F15 I30 W32 Y90 S125 V127 F138 V140 M165M13-F15 HydrophobicContact CG-CE1 4.39Å; M13-F15 HydrophobicContact CG-CE2 3.98Å; M13-F15 HydrophobicContact CG-CZ 3.72Å; M13-F15 HydrophobicContact SD-CE1 4.21Å; M13-F15 HydrophobicContact SD-CE2 3.94Å; M13-F15 HydrophobicContact SD-CZ 3.34Å; M13-F15 WeakPolarHBondContact SD-CZ 3.4Å; M13-I30 HydrophobicContact SD-CG2 4.09Å; M13-W32 HydrophobicContact CE-CB 4.28Å; M13-Y90 WeakPolarHBondContact O-CE2 3.41Å; M13-S125 PolarHBondContact N-O 3.16Å; M13-S125 WeakPolarHBondContact O-CB 3.44Å; M13-V127 HydrophobicContact CB-CG2 3.56Å; M13-V127 HydrophobicContact CE-CG2 4.36Å; M13-F138 HydrophobicContact CE-CE1 3.78Å; M13-F138 HydrophobicContact CE-CZ 3.46Å; M13-F138 VanDerWaalsContact CE-CZ 3.46Å; M13-V140 HydrophobicContact CE-CB 4.39Å; M13-V140 HydrophobicContact CE-CG1 3.91Å; M13-V140 HydrophobicContact CE-CG2 3.52Å; M13-V140 HydrophobicContact SD-CG1 4.3Å; M13-M165 HydrophobicContact CE-SD 4.44Å; M13-M165 HydrophobicContact CG-CG 4.05Å; M13-M165 HydrophobicContact CG-SD 3.92Å; M13-M165 HydrophobicContact SD-SD 3.9Å
14R85.8Confident77.8Confident99 Ų9955.4 Ų55.437%0.37430%0.302SS..EExtended strand (participates in β ladder)trans-126.6137.8179.7-64.5-178.8179.2168.11.8109.9M165 K166 E168R14-M165 CarbonylContact O-C 3.59Å; R14-M165 WeakPolarHBondContact O-CA 3.48Å; R14-K166 PolarHBondContact N-O 3.49Å; R14-K166 PolarHBondContact O-N 3.47Å; R14-E168 IonicContact CZ-OE2 2.71Å; R14-E168 IonicContact NE-OE2 2.89Å; R14-E168 IonicContact NH1-OE1 3.28Å; R14-E168 IonicContact NH1-OE2 3.86Å; R14-E168 PolarHBondContact NH1-OE2 3.31Å; R14-E168 IonicContact NH2-OE2 2.7Å
15F84.1Confident76.6Confident13 Ų1361.6 Ų61.66%0.05733%0.328CS..EExtended strand (participates in β ladder)trans-106.4124.7176.9-57.1-81.9000109M13 I30 L83 F84 F163 M165M13-F15 HydrophobicContact CG-CE1 4.39Å; M13-F15 HydrophobicContact CG-CE2 3.98Å; M13-F15 HydrophobicContact CG-CZ 3.72Å; M13-F15 HydrophobicContact SD-CE1 4.21Å; M13-F15 HydrophobicContact SD-CE2 3.94Å; M13-F15 HydrophobicContact SD-CZ 3.34Å; M13-F15 WeakPolarHBondContact SD-CZ 3.4Å; F15-I30 HydrophobicContact CD1-CD1 4.47Å; F15-I30 HydrophobicContact CE1-CD1 3.54Å; F15-I30 HydrophobicContact CE2-CD1 3.99Å; F15-I30 HydrophobicContact CZ-CD1 3.24Å; F15-I30 HydrophobicContact CZ-CG2 4.29Å; F15-L83 HydrophobicContact CB-CD1 4.39Å; F15-L83 HydrophobicContact CB-CG 4.01Å; F15-L83 HydrophobicContact CD1-CD1 4.03Å; F15-L83 HydrophobicContact CD1-CD2 4.44Å; F15-L83 HydrophobicContact CD1-CG 4.28Å; F15-L83 HydrophobicContact CD2-CD1 3.58Å; F15-L83 HydrophobicContact CD2-CG 4.13Å; F15-L83 HydrophobicContact CE1-CD1 4.19Å; F15-L83 HydrophobicContact CE2-CD1 3.77Å; F15-L83 HydrophobicContact CG-CD1 3.72Å; F15-L83 HydrophobicContact CG-CD2 4.46Å; F15-L83 HydrophobicContact CG-CG 3.87Å; F15-L83 HydrophobicContact CZ-CD1 4.06Å; F15-F84 HydrophobicContact CB-CD1 3.94Å; F15-F84 HydrophobicContact CB-CE1 4.05Å; F15-F163 AromaticContact CD1-CD2 3.97Å; F15-F163 HydrophobicContact CD1-CD2 3.97Å; F15-F163 AromaticContact CD1-CE2 3.78Å; F15-F163 HydrophobicContact CD1-CE2 3.78Å; F15-F163 HydrophobicContact CE1-CE2 4.01Å; F15-M165 HydrophobicContact CD1-CB 4.11Å; F15-M165 HydrophobicContact CD1-CG 4Å; F15-M165 HydrophobicContact CE1-CB 4.15Å; F15-M165 HydrophobicContact CE1-CG 3.7Å; F15-M165 HydrophobicContact CE1-SD 3.83Å; F15-M165 HydrophobicContact CZ-CG 4.43Å; F15-M165 HydrophobicContact CZ-SD 4.34Å
16L77.8Confident75.8Confident93 Ų9361.9 Ų61.949%0.48733%0.33SS..EExtended strand (participates in β ladder)trans-115.6118.8-178.4-61.3170.6000108T164 K166L16-T164 PolarHBondContact N-O 3.27Å; L16-T164 WeakPolarHBondContact O-CB 3.46Å; L16-T164 PolarHBondContact O-N 3.25Å; L16-K166 HydrophobicContact CD1-CB 4.12Å; L16-K166 HydrophobicContact CD1-CD 4.41Å
17N69.1Low75.3Confident53 Ų5360.3 Ų60.328%0.28332%0.324SS..  trans-156.9160.6167-154.5-1.3000110.8M19 S21 F84 A162 F163N17-M19 PolarHBondContact O-N 3.11Å; N17-S21 PolarHBondContact ND2-OG 2.92Å; N17-F84 HydrophobicContact CB-CD1 3.66Å; N17-F84 HydrophobicContact CB-CD2 4.23Å; N17-F84 HydrophobicContact CB-CE1 3.23Å; N17-F84 HydrophobicContact CB-CE2 3.82Å; N17-F84 HydrophobicContact CB-CG 4.16Å; N17-F84 HydrophobicContact CB-CZ 3.32Å; N17-A162 PolarHBondContact ND2-O 3.25Å; N17-A162 VanDerWaalsContact ND2-O 3.08Å; N17-F163 HydrophobicContact CB-CB 4.44Å
18N61Low75Confident138 Ų13859.1 Ų59.174%0.73831%0.313SS*.  trans-71.6122.1169.2-119.5-11.8000108.2G20 S21N18-G20 PolarHBondContact O-N 3.48Å; N18-S21 PolarHBondContact O-N 3.35Å; N18-S21 PolarHBondContact O-OG 3.15Å
19M57.3Low75Confident132 Ų13257 Ų5765%0.6530%0.302SS*.G310 helixtrans-57.1-11.9-177.3-69.6-176.9-175.200114.4N17N17-M19 PolarHBondContact O-N 3.11Å
20G55.9Low75Confident83 Ų8356.8 Ų56.886%0.85630%0.3SS*.G310 helixtrans-80-11.9-177.300000116.8N18N18-G20 PolarHBondContact O-N 3.48Å
21S57.5Low75Confident60 Ų6056.8 Ų56.842%0.4230%0.301SS..G310 helixtrans-99.216.9-178.255.40000114N17 N18N17-S21 PolarHBondContact ND2-OG 2.92Å; N18-S21 PolarHBondContact O-N 3.35Å; N18-S21 PolarHBondContact O-OG 3.15Å
22C63.3Low75Confident22 Ų2256.8 Ų56.815%0.14930%0.301CS..  trans-104.1104.2-162.1-170.40000111.2C80 S81C22-C80 WeakPolarHBondContact CA-SG 3.38Å; C22-C80 HydrophobicContact CB-CB 4.29Å; C22-C80 WeakPolarHBondContact CB-SG 3.43Å; C22-C80 WeakPolarHBondContact SG-CA 3.42Å; C22-C80 WeakPolarHBondContact SG-CB 3.5Å; C22-C80 CovalentContact SG-SG 2.02Å; C22-C80 PolarHBondContact SG-SG 3.04Å; C22-S81 PolarHBondContact SG-N 3.39Å
23E65.1Low75.1Confident106 Ų10655.8 Ų55.850%0.49530%0.297SS..  trans-71.4131.7175.3-61.2-178.3173.800110.5F25 L26E23-F25 PolarHBondContact O-N 3.48Å; E23-F25 VanDerWaalsContact O-N 3.1Å; E23-L26 HydrophobicContact CB-CD1 3.93Å; E23-L26 HydrophobicContact CB-CG 4.47Å; E23-L26 HydrophobicContact CG-CD1 4.48Å; E23-L26 PolarHBondContact O-N 2.71Å
24K63.3Low75.2Confident164 Ų16455.8 Ų55.871%0.71330%0.297SS*.THydrogen-bonded Turntrans-66.6-13.6-173-67.3-179.2179.8177.30114.3
25F65.5Low75.5Confident134 Ų13451.1 Ų51.159%0.58828%0.279SS*.THydrogen-bonded Turntrans-98.6-3.7-173.7-55.4-73.8000114.1E23 R147E23-F25 PolarHBondContact O-N 3.48Å; E23-F25 VanDerWaalsContact O-N 3.1Å; F25-R147 PolarHBondContact O-N 3.15Å
26L74.7Confident75.8Confident10 Ų1050.9 Ų50.95%0.05228%0.279CS..EExtended strand (participates in β ladder)trans-89.9118.1178.6-74.3161.5000110.9E23 F28 C80 L159E23-L26 HydrophobicContact CB-CD1 3.93Å; E23-L26 HydrophobicContact CB-CG 4.47Å; E23-L26 HydrophobicContact CG-CD1 4.48Å; E23-L26 PolarHBondContact O-N 2.71Å; L26-F28 HydrophobicContact CB-CE2 4.41Å; L26-F28 HydrophobicContact CB-CZ 4.42Å; L26-C80 PolarHBondContact O-N 3.36Å; L26-C80 VanDerWaalsContact O-N 3.1Å; L26-L159 HydrophobicContact CD1-CD2 4.35Å
27A79.8Confident76.2Confident0 Ų046.6 Ų46.60%026%0.256CS..EExtended strand (participates in β ladder)trans-99.5154.5164.300000109.9Y76 F77 V145A27-Y76 HydrophobicContact CB-CE2 4.2Å; A27-F77 CarbonylContact C-O 3.5Å; A27-F77 VanDerWaalsContact CA-O 3.25Å; A27-F77 WeakPolarHBondContact CA-O 3.45Å; A27-F77 WeakPolarHBondContact CB-O 3.39Å; A27-V145 HydrophobicContact CB-CB 4.26Å; A27-V145 WeakPolarHBondContact CB-O 3.4Å; A27-V145 PolarHBondContact N-O 2.94Å; A27-V145 PolarHBondContact O-N 3.42Å
28F82.1Confident77Confident5 Ų547 Ų472%0.02226%0.261CS..EExtended strand (participates in β ladder)trans-125.3127.8178.3-65.2-80.7000110.7L26 I30 F77 C80 L83 V142 P144 F161L26-F28 HydrophobicContact CB-CE2 4.41Å; L26-F28 HydrophobicContact CB-CZ 4.42Å; F28-I30 HydrophobicContact CB-CG1 4.27Å; F28-F77 HydrophobicContact CB-CB 4.36Å; F28-F77 HydrophobicContact CB-CD2 4.49Å; F28-F77 PolarHBondContact N-O 3.46Å; F28-F77 PolarHBondContact O-N 2.92Å; F28-C80 HydrophobicContact CE2-CB 3.78Å; F28-L83 HydrophobicContact CD2-CD2 3.83Å; F28-L83 HydrophobicContact CE2-CD2 3.99Å; F28-L83 HydrophobicContact CG-CD2 4.29Å; F28-V142 HydrophobicContact CD1-CG1 4.1Å; F28-P144 HydrophobicContact CD1-CB 4.36Å; F28-P144 HydrophobicContact CE1-CB 4.23Å; F28-F161 HydrophobicContact CE1-CD1 4.02Å; F28-F161 HydrophobicContact CE1-CE1 4.24Å; F28-F161 HydrophobicContact CE2-CE1 4.15Å; F28-F161 AromaticContact CZ-CD1 3.57Å; F28-F161 HydrophobicContact CZ-CD1 3.57Å; F28-F161 AromaticContact CZ-CE1 3.48Å; F28-F161 HydrophobicContact CZ-CE1 3.48Å; F28-F161 VanDerWaalsContact CZ-CE1 3.48Å; F28-F161 HydrophobicContact CZ-CG 4.36Å; F28-F161 HydrophobicContact CZ-CZ 4.21Å
29N87.3Confident78.3Confident44 Ų4440.4 Ų40.424%0.23523%0.226CC..EExtended strand (participates in β ladder)trans-99.6110.8165-173.90.2000108.6Y76 Q143 V145N29-Y76 HydrophobicContact CB-CD2 4.35Å; N29-Q143 HydrophobicContact CB-CB 4.42Å; N29-Q143 PolarHBondContact N-O 3.08Å; N29-Q143 PolarHBondContact O-N 3.02Å; N29-V145 HydrophobicContact CB-CG2 4.33Å
30I87.9Confident79.6Confident0 Ų036.4 Ų36.40%020%0.204CC..EExtended strand (participates in β ladder)trans-108.1112.2-179.9-56.5-170000107.9M13 F15 F28 Y74 M75 F77 L83 V140 V142M13-I30 HydrophobicContact SD-CG2 4.09Å; F15-I30 HydrophobicContact CD1-CD1 4.47Å; F15-I30 HydrophobicContact CE1-CD1 3.54Å; F15-I30 HydrophobicContact CE2-CD1 3.99Å; F15-I30 HydrophobicContact CZ-CD1 3.24Å; F15-I30 HydrophobicContact CZ-CG2 4.29Å; F28-I30 HydrophobicContact CB-CG1 4.27Å; I30-Y74 CarbonylContact O-C 3.59Å; I30-Y74 WeakPolarHBondContact O-CA 3.47Å; I30-M75 PolarHBondContact N-O 2.9Å; I30-M75 PolarHBondContact O-N 3.18Å; I30-F77 HydrophobicContact CB-CE2 4.27Å; I30-F77 HydrophobicContact CD1-CD2 4Å; I30-F77 HydrophobicContact CD1-CE2 3.78Å; I30-F77 HydrophobicContact CG1-CD2 4.12Å; I30-F77 HydrophobicContact CG1-CE2 4.07Å; I30-L83 HydrophobicContact CD1-CD1 3.49Å; I30-L83 VanDerWaalsContact CD1-CD1 3.49Å; I30-V140 HydrophobicContact CG2-CG1 3.82Å; I30-V142 HydrophobicContact CD1-CG2 4.41Å; I30-V142 HydrophobicContact CG1-CG1 4.26Å; I30-V142 HydrophobicContact CG1-CG2 4.28Å; I30-V142 HydrophobicContact CG2-CG2 4.34Å
31S90.4Very high80.9Confident15 Ų1533.8 Ų33.811%0.10517%0.17CC..EExtended strand (participates in β ladder)trans-109.6141.3176.660.10000109.7F56 G73 K141S31-F56 VanDerWaalsContact OG-CZ 3.31Å; S31-F56 WeakPolarHBondContact OG-CZ 3.48Å; S31-G73 WeakPolarHBondContact CA-O 3.37Å; S31-K141 PolarHBondContact N-O 3.5Å; S31-K141 PolarHBondContact O-N 3Å; S31-K141 WeakPolarHBondContact OG-CB 3.42Å; S31-K141 PolarHBondContact OG-O 3.01Å
32W91.1Very high82.1Confident1 Ų131.4 Ų31.40%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-132.8147.6-176.862.5-97.4000110M13 L34 T71 Q72 G73 F91 N95 V127 A128 F138 I139M13-W32 HydrophobicContact CE-CB 4.28Å; W32-L34 HydrophobicContact CZ3-CB 4.24Å; W32-T71 HydrophobicContact CH2-CG2 4.09Å; W32-T71 HydrophobicContact CZ3-CG2 3.86Å; W32-T71 WeakPolarHBondContact CZ3-O 3.21Å; W32-Q72 VanDerWaalsContact O-CA 3.31Å; W32-Q72 WeakPolarHBondContact O-CA 3.33Å; W32-G73 VanDerWaalsContact CE2-CA 3.43Å; W32-G73 PolarHBondContact N-O 3.38Å; W32-G73 PolarHBondContact O-N 2.89Å; W32-F91 HydrophobicContact CZ2-CE2 4.33Å; W32-F91 AromaticContact NE1-CE2 3.56Å; W32-F91 AromaticContact NE1-CZ 3.65Å; W32-N95 HydrophobicContact CH2-CB 4.32Å; W32-V127 HydrophobicContact CB-CG1 4.45Å; W32-V127 VanDerWaalsContact CD1-CG1 3.42Å; W32-V127 HydrophobicContact CD2-CG1 3.44Å; W32-V127 VanDerWaalsContact CD2-CG1 3.44Å; W32-V127 HydrophobicContact CE3-CG1 4.18Å; W32-V127 HydrophobicContact CG-CG1 3.54Å; W32-V127 HydrophobicContact CZ2-CG1 3.92Å; W32-V127 WeakPolarHBondContact CZ2-O 3.3Å; W32-V127 VanDerWaalsContact NE1-CG1 3.25Å; W32-A128 HydrophobicContact CH2-CB 4.06Å; W32-A128 HydrophobicContact CZ3-CB 3.94Å; W32-F138 HydrophobicContact CB-CE2 3.92Å; W32-F138 HydrophobicContact CB-CZ 4Å; W32-F138 HydrophobicContact CD2-CE2 4.44Å; W32-F138 HydrophobicContact CE3-CE2 4.06Å; W32-F138 HydrophobicContact CG-CE2 4.42Å; W32-I139 CarbonylContact C-O 3.51Å; W32-I139 WeakPolarHBondContact CA-O 3.31Å
33Y90.5Very high83.1Confident0 Ų030.4 Ų30.40%015%0.146CC..EExtended strand (participates in β ladder)trans-140121-178.6178.3-94000108.7R35 F56 M58 Y70 Q72 I139Y33-R35 HydrophobicContact CD1-CB 4.27Å; Y33-R35 HydrophobicContact CE1-CB 3.55Å; Y33-R35 HydrophobicContact CE1-CG 4.24Å; Y33-R35 PolarHBondContact OH-NH1 3.46Å; Y33-F56 VanDerWaalsContact CB-CE2 3.49Å; Y33-F56 HydrophobicContact CG-CD2 4.44Å; Y33-M58 PolarHBondContact OH-O 3.11Å; Y33-Y70 HydrophobicContact CD2-CD2 4.42Å; Y33-Y70 AromaticContact CE2-CD2 3.59Å; Y33-Y70 HydrophobicContact CE2-CD2 3.59Å; Y33-Y70 HydrophobicContact CE2-CE2 4.47Å; Y33-Y70 AromaticContact CE2-CG 3.89Å; Y33-Y70 HydrophobicContact CE2-CG 3.89Å; Y33-Y70 WeakPolarHBondContact OH-CB 3.4Å; Y33-Q72 HydrophobicContact CD2-CB 3.94Å; Y33-I139 HydrophobicContact CD1-CD1 4.12Å; Y33-I139 PolarHBondContact N-O 3.4Å; Y33-I139 PolarHBondContact O-N 3.21Å
34L90.9Very high83.8Confident0 Ų027.2 Ų27.20%013%0.13CC..EExtended strand (participates in β ladder)trans-111.8119.4178.1-179.765.8000108.8I11 W32 Y70 T71 A128 W131 Y136 F138I11-L34 HydrophobicContact CD1-CD1 3.61Å; I11-L34 HydrophobicContact CD1-CD2 3.76Å; I11-L34 HydrophobicContact CD1-CG 4.32Å; W32-L34 HydrophobicContact CZ3-CB 4.24Å; L34-Y70 CarbonylContact O-C 3.58Å; L34-Y70 WeakPolarHBondContact O-CA 3.44Å; L34-T71 HydrophobicContact CB-CG2 4.06Å; L34-T71 HydrophobicContact CD2-CG2 4.26Å; L34-T71 PolarHBondContact N-O 3.49Å; L34-T71 PolarHBondContact O-N 3.39Å; L34-A128 HydrophobicContact CD2-CB 3.72Å; L34-W131 HydrophobicContact CD2-CH2 3.99Å; L34-W131 HydrophobicContact CD2-CZ3 3.7Å; L34-W131 HydrophobicContact CG-CH2 4.02Å; L34-W131 HydrophobicContact CG-CZ3 4.24Å; L34-Y136 HydrophobicContact CD1-CD1 3.79Å; L34-Y136 HydrophobicContact CD1-CG 4.41Å; L34-Y136 HydrophobicContact CD2-CD1 4.25Å; L34-Y136 HydrophobicContact CD2-CE1 4.47Å; L34-Y136 HydrophobicContact CG-CD1 3.99Å; L34-F138 HydrophobicContact CB-CD2 4.11Å; L34-F138 HydrophobicContact CD1-CB 3.97Å; L34-F138 HydrophobicContact CD1-CD2 3.99Å; L34-F138 HydrophobicContact CD1-CG 4.45Å
35R90.1Very high84.5Confident1 Ų124.6 Ų24.60%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-119.8130.1179.3-176.4176.8178.1120.6-1.5110.4Y33 E42 M58 H60 L100 Y136 L137Y33-R35 HydrophobicContact CD1-CB 4.27Å; Y33-R35 HydrophobicContact CE1-CB 3.55Å; Y33-R35 HydrophobicContact CE1-CG 4.24Å; Y33-R35 PolarHBondContact OH-NH1 3.46Å; R35-E42 IonicContact CZ-OE1 2.82Å; R35-E42 VanDerWaalsContact CZ-OE1 3.28Å; R35-E42 IonicContact NE-OE1 3.51Å; R35-E42 PolarHBondContact NE-OE1 3.27Å; R35-E42 IonicContact NH2-OE1 3.59Å; R35-E42 PolarHBondContact NH2-OE1 3.28Å; R35-M58 PolarHBondContact NH1-O 3.4Å; R35-H60 PolarHBondContact NH1-O 3.39Å; R35-H60 PolarHBondContact NH2-O 3.45Å; R35-H60 VanDerWaalsContact NH2-O 3.11Å; R35-L100 HydrophobicContact CG-CD1 4.41Å; R35-Y136 CarbonylContact O-C 3.58Å; R35-Y136 WeakPolarHBondContact O-CA 3.36Å; R35-L137 PolarHBondContact N-O 3.17Å; R35-L137 PolarHBondContact O-N 3.13Å
36S90.4Very high84.6Confident8 Ų818.7 Ų18.76%0.05610%0.099CC..EExtended strand (participates in β ladder)trans-106139168.2-174.90000108.8G68 F69 W131S36-G68 CarbonylContact O-C 3.52Å; S36-G68 WeakPolarHBondContact O-CA 3.4Å; S36-F69 PolarHBondContact N-O 2.99Å; S36-F69 PolarHBondContact O-N 3.41Å; S36-W131 VanDerWaalsContact CB-CZ2 3.41Å
37S86.9Confident83.9Confident2 Ų221.9 Ų21.91%0.01412%0.12CC..EExtended strand (participates in β ladder)trans-128.7146172178.40000109.7C39 E42 P135S37-C39 PolarHBondContact O-N 3.45Å; S37-C39 VanDerWaalsContact OG-CB 3.29Å; S37-C39 WeakPolarHBondContact OG-CB 3.48Å; S37-C39 PolarHBondContact OG-N 3.05Å; S37-E42 WeakPolarHBondContact CB-OE2 3.11Å; S37-E42 PolarHBondContact OG-OE2 3.48Å; S37-P135 PolarHBondContact N-O 3.08Å; S37-P135 WeakPolarHBondContact O-CD 3.29Å; S37-P135 WeakPolarHBondContact O-CG 3.33Å
38V86.7Confident82.9Confident62 Ų6230 Ų3038%0.37616%0.155SC..SBendtrans-66.3-19.2167.6177.60000110.8S67 R392V38-S67 WeakPolarHBondContact CG2-O 3.31Å; V38-S67 PolarHBondContact N-O 3.27Å; V38-R392 HydrophobicContact CG1-CG 4.03Å
39C86.8Confident81.7Confident0 Ų035.6 Ų35.60%019%0.186CC..  trans-94.7110.9-174.9-147.60000112.5S37 N41 E42 W66 C390S37-C39 PolarHBondContact O-N 3.45Å; S37-C39 VanDerWaalsContact OG-CB 3.29Å; S37-C39 WeakPolarHBondContact OG-CB 3.48Å; S37-C39 PolarHBondContact OG-N 3.05Å; C39-N41 VanDerWaalsContact C-N 3.34Å; C39-N41 PolarHBondContact O-N 2.96Å; C39-E42 HydrophobicContact CB-CB 4Å; C39-E42 WeakPolarHBondContact O-CB 3.28Å; C39-E42 PolarHBondContact O-N 3.12Å; C39-W66 HydrophobicContact CB-CB 4.48Å; C39-W66 HydrophobicContact CB-CD2 4.07Å; C39-W66 HydrophobicContact CB-CE3 4.38Å; C39-W66 HydrophobicContact CB-CG 4.13Å; C39-W66 VanDerWaalsContact SG-CE2 3.52Å; C39-C390 WeakPolarHBondContact CA-SG 3.28Å; C39-C390 HydrophobicContact CB-CB 4.4Å; C39-C390 WeakPolarHBondContact CB-SG 3.31Å; C39-C390 WeakPolarHBondContact SG-CA 3.09Å; C39-C390 WeakPolarHBondContact SG-CB 3.21Å; C39-C390 CovalentContact SG-SG 2.04Å; C39-C390 PolarHBondContact SG-SG 2.86Å
40Y85.4Confident80.6Confident48 Ų4840 Ų4019%0.18821%0.209CC..Hα-helixtrans-63.1-39.7178.7-179.7-88000113T4 E42 V43 F44 P135 Q391 W394 L397T4-Y40 HydrophobicContact CG2-CD2 4.29Å; T4-Y40 HydrophobicContact CG2-CE2 4.18Å; Y40-E42 PolarHBondContact O-N 3.19Å; Y40-V43 PolarHBondContact O-N 3.46Å; Y40-F44 HydrophobicContact CD1-CB 4.26Å; Y40-F44 HydrophobicContact CD1-CD2 4.03Å; Y40-F44 HydrophobicContact CD1-CG 4.35Å; Y40-F44 AromaticContact CD2-CD2 3.59Å; Y40-F44 HydrophobicContact CD2-CD2 3.59Å; Y40-F44 AromaticContact CD2-CE2 3.63Å; Y40-F44 HydrophobicContact CD2-CE2 3.63Å; Y40-F44 HydrophobicContact CE1-CB 3.81Å; Y40-F44 HydrophobicContact CE1-CD1 4.46Å; Y40-F44 AromaticContact CE1-CD2 3.78Å; Y40-F44 HydrophobicContact CE1-CD2 3.78Å; Y40-F44 HydrophobicContact CE1-CE2 4.48Å; Y40-F44 AromaticContact CE1-CG 3.76Å; Y40-F44 HydrophobicContact CE1-CG 3.76Å; Y40-F44 HydrophobicContact CE2-CD1 4.42Å; Y40-F44 AromaticContact CE2-CD2 3.31Å; Y40-F44 HydrophobicContact CE2-CD2 3.31Å; Y40-F44 HydrophobicContact CE2-CE1 4.33Å; Y40-F44 AromaticContact CE2-CE2 3.19Å; Y40-F44 HydrophobicContact CE2-CE2 3.19Å; Y40-F44 AromaticContact CE2-CG 3.96Å; Y40-F44 HydrophobicContact CE2-CG 3.96Å; Y40-F44 AromaticContact CE2-CZ 3.74Å; Y40-F44 HydrophobicContact CE2-CZ 3.74Å; Y40-F44 AromaticContact CG-CD2 3.93Å; Y40-F44 HydrophobicContact CG-CD2 3.93Å; Y40-F44 HydrophobicContact CG-CE2 4.42Å; Y40-F44 AromaticContact CZ-CD1 3.92Å; Y40-F44 AromaticContact CZ-CD2 3.4Å; Y40-F44 VanDerWaalsContact CZ-CD2 3.4Å; Y40-F44 AromaticContact CZ-CE2 3.68Å; Y40-F44 AromaticContact CZ-CG 3.53Å; Y40-F44 WeakPolarHBondContact O-CD2 3.45Å; Y40-F44 PolarHBondContact O-N 3.06Å; Y40-P135 HydrophobicContact CD2-CB 4.31Å; Y40-Q391 WeakPolarHBondContact CB-O 3.21Å; Y40-Q391 PolarHBondContact N-O 3.44Å; Y40-Q391 VanDerWaalsContact N-O 3.15Å; Y40-W394 HydrophobicContact CD2-CB 3.59Å; Y40-W394 HydrophobicContact CD2-CG 4.37Å; Y40-W394 HydrophobicContact CE2-CB 4.43Å; Y40-W394 HydrophobicContact CG-CB 3.92Å; Y40-L397 HydrophobicContact CD1-CD1 3.91Å; Y40-L397 HydrophobicContact CD2-CD1 3.86Å; Y40-L397 HydrophobicContact CE1-CD1 3.68Å; Y40-L397 HydrophobicContact CE2-CD1 3.61Å; Y40-L397 HydrophobicContact CG-CD1 4Å
41N83.2Confident79.8Confident28 Ų2844.8 Ų44.815%0.1523%0.23CC..Hα-helixtrans-62.2-30.5179.5-67.7-14.8000112.6C39 V43 N45 V388 D389C39-N41 VanDerWaalsContact C-N 3.34Å; C39-N41 PolarHBondContact O-N 2.96Å; N41-V43 VanDerWaalsContact C-N 3.34Å; N41-V43 PolarHBondContact O-N 3.28Å; N41-N45 WeakPolarHBondContact O-CA 3.41Å; N41-N45 WeakPolarHBondContact O-CB 3.32Å; N41-N45 PolarHBondContact O-N 3.25Å; N41-V388 PolarHBondContact ND2-O 3.42Å; N41-D389 PolarHBondContact ND2-O 2.9Å
42E83.1Confident79Confident9 Ų944.7 Ų44.74%0.04223%0.23CC..Hα-helixtrans-60.9-45177.5-174.8-179.3161.600111.3R35 S37 C39 Y40 T46 L62 W66R35-E42 IonicContact CZ-OE1 2.82Å; R35-E42 VanDerWaalsContact CZ-OE1 3.28Å; R35-E42 IonicContact NE-OE1 3.51Å; R35-E42 PolarHBondContact NE-OE1 3.27Å; R35-E42 IonicContact NH2-OE1 3.59Å; R35-E42 PolarHBondContact NH2-OE1 3.28Å; S37-E42 WeakPolarHBondContact CB-OE2 3.11Å; S37-E42 PolarHBondContact OG-OE2 3.48Å; C39-E42 HydrophobicContact CB-CB 4Å; C39-E42 WeakPolarHBondContact O-CB 3.28Å; C39-E42 PolarHBondContact O-N 3.12Å; Y40-E42 PolarHBondContact O-N 3.19Å; E42-T46 WeakPolarHBondContact O-CG2 3.43Å; E42-L62 HydrophobicContact CG-CD1 3.83Å; E42-L62 VanDerWaalsContact OE1-CD1 3.22Å; E42-L62 WeakPolarHBondContact OE1-CD1 3.33Å; E42-W66 HydrophobicContact CB-CE3 3.68Å; E42-W66 HydrophobicContact CB-CZ3 3.59Å; E42-W66 HydrophobicContact CG-CE3 3.76Å; E42-W66 HydrophobicContact CG-CZ3 3.81Å
43V83.2Confident78.2Confident2 Ų249.4 Ų49.41%0.01225%0.253CS..Hα-helixtrans-82-35.2-175173.40000112.1R2 Y40 N41 T46 P135 Y136 L137R2-V43 HydrophobicContact CB-CG1 3.93Å; Y40-V43 PolarHBondContact O-N 3.46Å; N41-V43 VanDerWaalsContact C-N 3.34Å; N41-V43 PolarHBondContact O-N 3.28Å; V43-T46 PolarHBondContact O-OG1 3.28Å; V43-P135 HydrophobicContact CB-CB 4.09Å; V43-P135 HydrophobicContact CG1-CB 4.3Å; V43-P135 HydrophobicContact CG2-CB 4.05Å; V43-P135 HydrophobicContact CG2-CG 4.41Å; V43-Y136 WeakPolarHBondContact CG1-O 3.47Å; V43-L137 HydrophobicContact CG1-CB 4.11Å; V43-L137 HydrophobicContact CG2-CB 4.34Å
44F80.7Confident77.7Confident38 Ų3855.2 Ų55.217%0.16728%0.284CS..Hα-helixtrans-96-21.1-173.6-73.4-93.3000114.1R2 T4 Y40 P135R2-F44 HydrophobicContact CG-CD1 4.27Å; R2-F44 HydrophobicContact CG-CE1 4.19Å; R2-F44 PolarHBondContact NH1-O 3.16Å; T4-F44 HydrophobicContact CG2-CE2 4.19Å; T4-F44 HydrophobicContact CG2-CZ 4.39Å; Y40-F44 HydrophobicContact CD1-CB 4.26Å; Y40-F44 HydrophobicContact CD1-CD2 4.03Å; Y40-F44 HydrophobicContact CD1-CG 4.35Å; Y40-F44 AromaticContact CD2-CD2 3.59Å; Y40-F44 HydrophobicContact CD2-CD2 3.59Å; Y40-F44 AromaticContact CD2-CE2 3.63Å; Y40-F44 HydrophobicContact CD2-CE2 3.63Å; Y40-F44 HydrophobicContact CE1-CB 3.81Å; Y40-F44 HydrophobicContact CE1-CD1 4.46Å; Y40-F44 AromaticContact CE1-CD2 3.78Å; Y40-F44 HydrophobicContact CE1-CD2 3.78Å; Y40-F44 HydrophobicContact CE1-CE2 4.48Å; Y40-F44 AromaticContact CE1-CG 3.76Å; Y40-F44 HydrophobicContact CE1-CG 3.76Å; Y40-F44 HydrophobicContact CE2-CD1 4.42Å; Y40-F44 AromaticContact CE2-CD2 3.31Å; Y40-F44 HydrophobicContact CE2-CD2 3.31Å; Y40-F44 HydrophobicContact CE2-CE1 4.33Å; Y40-F44 AromaticContact CE2-CE2 3.19Å; Y40-F44 HydrophobicContact CE2-CE2 3.19Å; Y40-F44 AromaticContact CE2-CG 3.96Å; Y40-F44 HydrophobicContact CE2-CG 3.96Å; Y40-F44 AromaticContact CE2-CZ 3.74Å; Y40-F44 HydrophobicContact CE2-CZ 3.74Å; Y40-F44 AromaticContact CG-CD2 3.93Å; Y40-F44 HydrophobicContact CG-CD2 3.93Å; Y40-F44 HydrophobicContact CG-CE2 4.42Å; Y40-F44 AromaticContact CZ-CD1 3.92Å; Y40-F44 AromaticContact CZ-CD2 3.4Å; Y40-F44 VanDerWaalsContact CZ-CD2 3.4Å; Y40-F44 AromaticContact CZ-CE2 3.68Å; Y40-F44 AromaticContact CZ-CG 3.53Å; Y40-F44 WeakPolarHBondContact O-CD2 3.45Å; Y40-F44 PolarHBondContact O-N 3.06Å; F44-P135 HydrophobicContact CD2-CB 4.42Å; F44-P135 HydrophobicContact CE2-CB 3.91Å
45N77.1Confident77.2Confident110 Ų11055.4 Ų55.459%0.58829%0.285SS*.SBendtrans-93.7-0.9174.2-63.9-14.3000113.7N41 P47N41-N45 WeakPolarHBondContact O-CA 3.41Å; N41-N45 WeakPolarHBondContact O-CB 3.32Å; N41-N45 PolarHBondContact O-N 3.25Å; N45-P47 VanDerWaalsContact O-CD 3.23Å; N45-P47 WeakPolarHBondContact O-CD 3.18Å
46T67.6Low76.8Confident9 Ų957.7 Ų57.76%0.05530%0.295CS..SBendtrans-67.2118.2170.242.90000110.3E42 V43 K51 M55E42-T46 WeakPolarHBondContact O-CG2 3.43Å; V43-T46 PolarHBondContact O-OG1 3.28Å; T46-K51 HydrophobicContact CG2-CD 4.35Å; T46-M55 HydrophobicContact CG2-CE 3.27Å; T46-M55 HydrophobicContact CG2-SD 3.49Å; T46-M55 WeakPolarHBondContact CG2-SD 3.26Å
47P61.7Low76.4Confident78 Ų7859.1 Ų59.151%0.50631%0.311SS..  trans-56.7144.8172.4-20.631.6000110.6N45 D49 K51N45-P47 VanDerWaalsContact O-CD 3.23Å; N45-P47 WeakPolarHBondContact O-CD 3.18Å; P47-D49 VanDerWaalsContact C-N 3.26Å; P47-D49 PolarHBondContact O-N 2.96Å; P47-D49 VanDerWaalsContact O-N 3.1Å; P47-K51 HydrophobicContact CG-CB 4.38Å; P47-K51 HydrophobicContact CG-CD 4.47Å
48K58.1Low76.2Confident170 Ų17060.8 Ų60.874%0.73932%0.319SS*.THydrogen-bonded Turntrans-54.4-33.4-166.7-90-178.9173.6177.30114.8
49D57.4Low75.9Confident123 Ų12361.1 Ų61.166%0.65832%0.319SS*.THydrogen-bonded Turntrans-119.7-66.7-164.1-54.4-43.5000114.2P47 K51 M53P47-D49 VanDerWaalsContact C-N 3.26Å; P47-D49 PolarHBondContact O-N 2.96Å; P47-D49 VanDerWaalsContact O-N 3.1Å; D49-K51 PolarHBondContact O-N 3Å; D49-M53 PolarHBondContact O-N 3.22Å
50N63.8Low75.5Confident137 Ų13764 Ų6473%0.73333%0.332SS*.Hα-helixtrans-71.7-36.7-170.8-69.1-0.3000114.4N54N50-N54 PolarHBondContact O-N 3.31Å
51K70.3Confident75.2Confident99 Ų9962.8 Ų62.843%0.4333%0.329SS..Hα-helixtrans-78.5-32-176.9-155.8178.4-176.5178.20112T46 P47 D49 N54 M55T46-K51 HydrophobicContact CG2-CD 4.35Å; P47-K51 HydrophobicContact CG-CB 4.38Å; P47-K51 HydrophobicContact CG-CD 4.47Å; D49-K51 PolarHBondContact O-N 3Å; K51-N54 PolarHBondContact O-N 3.05Å; K51-M55 HydrophobicContact CG-CE 4.43Å; K51-M55 WeakPolarHBondContact O-CG 3.1Å; K51-M55 PolarHBondContact O-N 2.88Å
52A73.3Confident74.9Confident13 Ų1364.4 Ų64.411%0.10734%0.337CS..Hα-helixtrans-66-40.9176.800000111N54 M55 F56 I139A52-N54 VanDerWaalsContact C-N 3.32Å; A52-N54 PolarHBondContact O-N 3.36Å; A52-M55 WeakPolarHBondContact O-CB 3.33Å; A52-M55 PolarHBondContact O-N 3.3Å; A52-F56 PolarHBondContact O-N 3.47Å; A52-I139 WeakPolarHBondContact O-CD1 3.42Å
53M75.6Confident74.6Confident101 Ų10168.5 Ų68.550%0.49836%0.355SS..Hα-helixtrans-61.6-40.5176.7-148.172.3175.500112.1D49 M55 F56 K141D49-M53 PolarHBondContact O-N 3.22Å; M53-M55 PolarHBondContact O-N 3.1Å; M53-F56 WeakPolarHBondContact O-CB 3.2Å; M53-F56 PolarHBondContact O-N 3.45Å; M53-K141 HydrophobicContact CE-CB 4.46Å; M53-K141 HydrophobicContact CE-CD 4.01Å; M53-K141 HydrophobicContact CE-CG 3.88Å
54N79.6Confident74Confident121 Ų12172.4 Ų72.465%0.64738%0.375SS*.Hα-helixtrans-66.3-21.9175.1-68-5.2000113.2N50 K51 A52 M58N50-N54 PolarHBondContact O-N 3.31Å; K51-N54 PolarHBondContact O-N 3.05Å; A52-N54 VanDerWaalsContact C-N 3.32Å; A52-N54 PolarHBondContact O-N 3.36Å; N54-M58 WeakPolarHBondContact O-CE 3.41Å; N54-M58 WeakPolarHBondContact O-CG 3.32Å
55M79.7Confident73.7Confident4 Ų472.5 Ų72.52%0.0239%0.387CS..Hα-helixtrans-83.2-13.9176.3-71-176.6174.300114.2T46 K51 A52 M53 G57 M58 L62 L137 I139T46-M55 HydrophobicContact CG2-CE 3.27Å; T46-M55 HydrophobicContact CG2-SD 3.49Å; T46-M55 WeakPolarHBondContact CG2-SD 3.26Å; K51-M55 HydrophobicContact CG-CE 4.43Å; K51-M55 WeakPolarHBondContact O-CG 3.1Å; K51-M55 PolarHBondContact O-N 2.88Å; A52-M55 WeakPolarHBondContact O-CB 3.33Å; A52-M55 PolarHBondContact O-N 3.3Å; M53-M55 PolarHBondContact O-N 3.1Å; M55-G57 PolarHBondContact O-N 2.96Å; M55-M58 VanDerWaalsContact CA-CE 3.45Å; M55-M58 HydrophobicContact CB-CE 3.93Å; M55-M58 HydrophobicContact CG-CE 3.46Å; M55-M58 VanDerWaalsContact CG-CE 3.46Å; M55-M58 PolarHBondContact O-N 3.42Å; M55-L62 HydrophobicContact CE-CD1 3.32Å; M55-L62 HydrophobicContact CE-CD2 3.64Å; M55-L62 HydrophobicContact CE-CG 4.11Å; M55-L62 HydrophobicContact SD-CD1 4.25Å; M55-L137 HydrophobicContact SD-CD2 3.98Å; M55-I139 HydrophobicContact CB-CD1 4.12Å
56F83.4Confident73.8Confident50 Ų5068.7 Ų68.722%0.21936%0.364CS..THydrogen-bonded Turntrans-66119.8-178.8-171.2-89.6000110.7S31 Y33 A52 M53 M58 I139 K141S31-F56 VanDerWaalsContact OG-CZ 3.31Å; S31-F56 WeakPolarHBondContact OG-CZ 3.48Å; Y33-F56 VanDerWaalsContact CB-CE2 3.49Å; Y33-F56 HydrophobicContact CG-CD2 4.44Å; A52-F56 PolarHBondContact O-N 3.47Å; M53-F56 WeakPolarHBondContact O-CB 3.2Å; M53-F56 PolarHBondContact O-N 3.45Å; F56-M58 VanDerWaalsContact C-N 3.29Å; F56-M58 PolarHBondContact O-N 2.87Å; F56-I139 HydrophobicContact CB-CG2 4.49Å; F56-I139 HydrophobicContact CD2-CB 4.04Å; F56-I139 HydrophobicContact CD2-CG2 3.65Å; F56-I139 HydrophobicContact CE2-CG2 4.44Å; F56-K141 HydrophobicContact CD1-CD 4.35Å; F56-K141 HydrophobicContact CD2-CB 4.41Å; F56-K141 HydrophobicContact CE1-CD 4.23Å; F56-K141 HydrophobicContact CE2-CB 4.06Å; F56-K141 HydrophobicContact CZ-CB 4.18Å
57G80.4Confident74.6Confident37 Ų3771.1 Ų71.138%0.38138%0.381SS..THydrogen-bonded Turntrans77.96.5179.600000115.1M55 D59M55-G57 PolarHBondContact O-N 2.96Å; G57-D59 PolarHBondContact O-N 2.95Å
58M82.9Confident75.7Confident37 Ų3767.7 Ų67.718%0.18236%0.36CS..  trans-70.7124.9172.4-72.6-153.4-73.400110.8Y33 R35 N54 M55 F56 L62Y33-M58 PolarHBondContact OH-O 3.11Å; R35-M58 PolarHBondContact NH1-O 3.4Å; N54-M58 WeakPolarHBondContact O-CE 3.41Å; N54-M58 WeakPolarHBondContact O-CG 3.32Å; M55-M58 VanDerWaalsContact CA-CE 3.45Å; M55-M58 HydrophobicContact CB-CE 3.93Å; M55-M58 HydrophobicContact CG-CE 3.46Å; M55-M58 VanDerWaalsContact CG-CE 3.46Å; M55-M58 PolarHBondContact O-N 3.42Å; F56-M58 VanDerWaalsContact C-N 3.29Å; F56-M58 PolarHBondContact O-N 2.87Å; M58-L62 HydrophobicContact CE-CD2 4.38Å; M58-L62 HydrophobicContact CE-CG 4.47Å
59D81Confident77.1Confident69 Ų6963 Ų6337%0.36934%0.34SS..  trans-94.7-5.9-179.361.7-15.8000113.6G57 Y70 L100 S101G57-D59 PolarHBondContact O-N 2.95Å; D59-Y70 HydrophobicContact CB-CE1 4.18Å; D59-L100 CarbonylContact O-C 3.58Å; D59-L100 WeakPolarHBondContact O-CA 3.3Å; D59-S101 PolarHBondContact O-N 3.01Å
60H77.3Confident78.7Confident62 Ų6258.2 Ų58.229%0.28731%0.313SS..BIsolated β-bridgetrans-111.5157.9-177.158.5-81.5000113.6R35 S101R35-H60 PolarHBondContact NH1-O 3.39Å; R35-H60 PolarHBondContact NH2-O 3.45Å; R35-H60 VanDerWaalsContact NH2-O 3.11Å; H60-S101 CarbonylContact C-O 3.57Å; H60-S101 VanDerWaalsContact CA-O 3.28Å; H60-S101 WeakPolarHBondContact CA-O 3.49Å
61M79.8Confident79.9Confident22 Ų2252 Ų5211%0.10828%0.28CS..  trans-68.2144.3172.8-60.8-175.6-85.100110.7W66 S67 L100 S101 P103M61-W66 VanDerWaalsContact CG-O 3.29Å; M61-W66 WeakPolarHBondContact CG-O 3.45Å; M61-W66 VanDerWaalsContact SD-C 3.52Å; M61-W66 VanDerWaalsContact SD-O 3.36Å; M61-S67 VanDerWaalsContact SD-CA 3.53Å; M61-L100 HydrophobicContact CG-CB 3.76Å; M61-S101 PolarHBondContact N-O 3.01Å; M61-P103 WeakPolarHBondContact O-CG 3.3Å
62L77Confident80.8Confident61 Ų6151.6 Ų51.632%0.31928%0.28SS..SBendtrans-74.3-29.9176.7-82.7124000113.5E42 M55 M58 W66E42-L62 HydrophobicContact CG-CD1 3.83Å; E42-L62 VanDerWaalsContact OE1-CD1 3.22Å; E42-L62 WeakPolarHBondContact OE1-CD1 3.33Å; M55-L62 HydrophobicContact CE-CD1 3.32Å; M55-L62 HydrophobicContact CE-CD2 3.64Å; M55-L62 HydrophobicContact CE-CG 4.11Å; M55-L62 HydrophobicContact SD-CD1 4.25Å; M58-L62 HydrophobicContact CE-CD2 4.38Å; M58-L62 HydrophobicContact CE-CG 4.47Å; L62-W66 HydrophobicContact CB-CE3 4.19Å; L62-W66 HydrophobicContact CB-CZ3 4.45Å
63K77.1Confident81.4Confident96 Ų9651.4 Ų51.442%0.41728%0.279SS..SBendtrans-142.1152.4175.9-65.2-168.1-175.6179.90109.1G65 W66 D389K63-G65 PolarHBondContact O-N 3.1Å; K63-W66 HydrophobicContact CB-CD2 3.85Å; K63-W66 HydrophobicContact CB-CE3 4.37Å; K63-W66 HydrophobicContact CB-CG 3.97Å; K63-W66 HydrophobicContact CD-CD2 4.44Å; K63-W66 HydrophobicContact CD-CH2 4.04Å; K63-W66 HydrophobicContact CD-CZ2 3.61Å; K63-W66 HydrophobicContact CG-CD2 4.29Å; K63-W66 HydrophobicContact CG-CE3 4.45Å; K63-W66 HydrophobicContact CG-CH2 4.46Å; K63-W66 HydrophobicContact CG-CZ2 4.27Å; K63-W66 WeakPolarHBondContact O-CB 3.43Å; K63-W66 PolarHBondContact O-N 3Å; K63-D389 IonicContact NZ-OD1 3.41Å
64D70.3Confident81.9Confident83 Ų8354.7 Ų54.744%0.44429%0.287SS..THydrogen-bonded Turntrans-56.8129.8172.6-71.8-17.3000110.3K104D64-K104 WeakPolarHBondContact OD2-CE 3.32Å; D64-K104 IonicContact OD2-NZ 3.84Å; D64-K104 PolarHBondContact OD2-NZ 3.47Å
65G73.6Confident82.2Confident40 Ų4049.5 Ų49.541%0.41226%0.259SS..THydrogen-bonded Turntrans871.8179.700000115.9K63 S67 R392K63-G65 PolarHBondContact O-N 3.1Å; G65-S67 VanDerWaalsContact C-N 3.32Å; G65-S67 PolarHBondContact O-N 3.07Å; G65-R392 PolarHBondContact O-NH2 2.96Å
66W80.4Confident82.3Confident31 Ų3154.7 Ų54.712%0.11728%0.279CS..  trans-94.661.9172.7-66.221000109.9C39 E42 M61 L62 K63C39-W66 HydrophobicContact CB-CB 4.48Å; C39-W66 HydrophobicContact CB-CD2 4.07Å; C39-W66 HydrophobicContact CB-CE3 4.38Å; C39-W66 HydrophobicContact CB-CG 4.13Å; C39-W66 VanDerWaalsContact SG-CE2 3.52Å; E42-W66 HydrophobicContact CB-CE3 3.68Å; E42-W66 HydrophobicContact CB-CZ3 3.59Å; E42-W66 HydrophobicContact CG-CE3 3.76Å; E42-W66 HydrophobicContact CG-CZ3 3.81Å; M61-W66 VanDerWaalsContact CG-O 3.29Å; M61-W66 WeakPolarHBondContact CG-O 3.45Å; M61-W66 VanDerWaalsContact SD-C 3.52Å; M61-W66 VanDerWaalsContact SD-O 3.36Å; L62-W66 HydrophobicContact CB-CE3 4.19Å; L62-W66 HydrophobicContact CB-CZ3 4.45Å; K63-W66 HydrophobicContact CB-CD2 3.85Å; K63-W66 HydrophobicContact CB-CE3 4.37Å; K63-W66 HydrophobicContact CB-CG 3.97Å; K63-W66 HydrophobicContact CD-CD2 4.44Å; K63-W66 HydrophobicContact CD-CH2 4.04Å; K63-W66 HydrophobicContact CD-CZ2 3.61Å; K63-W66 HydrophobicContact CG-CD2 4.29Å; K63-W66 HydrophobicContact CG-CE3 4.45Å; K63-W66 HydrophobicContact CG-CH2 4.46Å; K63-W66 HydrophobicContact CG-CZ2 4.27Å; K63-W66 WeakPolarHBondContact O-CB 3.43Å; K63-W66 PolarHBondContact O-N 3Å
67S83.2Confident82.3Confident59 Ų5952.9 Ų52.941%0.41327%0.271SS..  trans-65.9154.2179.957.60000111.6V38 M61 G65V38-S67 WeakPolarHBondContact CG2-O 3.31Å; V38-S67 PolarHBondContact N-O 3.27Å; M61-S67 VanDerWaalsContact SD-CA 3.53Å; G65-S67 VanDerWaalsContact C-N 3.32Å; G65-S67 PolarHBondContact O-N 3.07Å
68G85.3Confident82.1Confident6 Ų656 Ų566%0.06228%0.276CS..EExtended strand (participates in β ladder)trans-179.5-174.1-177.300000111.3S36 L100S36-G68 CarbonylContact O-C 3.52Å; S36-G68 WeakPolarHBondContact O-CA 3.4Å; G68-L100 PolarHBondContact O-N 3.19Å
69F88.4Confident81.7Confident73 Ų7356.1 Ų56.132%0.3228%0.277SS..EExtended strand (participates in β ladder)trans-136.3155.8-178.6-59.5-89.8000109.1S36 Y97 Q98 P99 W131S36-F69 PolarHBondContact N-O 2.99Å; S36-F69 PolarHBondContact O-N 3.41Å; F69-Y97 HydrophobicContact CB-CD2 4.02Å; F69-Y97 AromaticContact CD1-CD2 3.58Å; F69-Y97 HydrophobicContact CD1-CD2 3.58Å; F69-Y97 AromaticContact CD1-CE2 3.82Å; F69-Y97 HydrophobicContact CD1-CE2 3.82Å; F69-Y97 HydrophobicContact CE1-CD2 4.27Å; F69-Y97 HydrophobicContact CE1-CE2 4.04Å; F69-Y97 AromaticContact CG-CD2 3.93Å; F69-Y97 HydrophobicContact CG-CD2 3.93Å; F69-Y97 HydrophobicContact CG-CE2 4.31Å; F69-Q98 CarbonylContact C-O 3.58Å; F69-Q98 WeakPolarHBondContact CA-O 3.43Å; F69-P99 HydrophobicContact CD1-CB 4.05Å; F69-P99 HydrophobicContact CE1-CB 3.99Å; F69-W131 HydrophobicContact CB-CZ2 3.59Å; F69-W131 AromaticContact CD2-NE1 3.6Å; F69-W131 AromaticContact CG-NE1 3.82Å; F69-W131 WeakPolarHBondContact O-CZ2 3.31Å
70Y89.8Confident81.4Confident21 Ų2152.9 Ų52.98%0.08226%0.26CS..EExtended strand (participates in β ladder)trans-136.9156.1172.571.2-84.2000111.4Y33 L34 D59 Y97 Q98 L100Y33-Y70 HydrophobicContact CD2-CD2 4.42Å; Y33-Y70 AromaticContact CE2-CD2 3.59Å; Y33-Y70 HydrophobicContact CE2-CD2 3.59Å; Y33-Y70 HydrophobicContact CE2-CE2 4.47Å; Y33-Y70 AromaticContact CE2-CG 3.89Å; Y33-Y70 HydrophobicContact CE2-CG 3.89Å; Y33-Y70 WeakPolarHBondContact OH-CB 3.4Å; L34-Y70 CarbonylContact O-C 3.58Å; L34-Y70 WeakPolarHBondContact O-CA 3.44Å; D59-Y70 HydrophobicContact CB-CE1 4.18Å; Y70-Y97 CarbonylContact O-C 3.58Å; Y70-Y97 VanDerWaalsContact O-CA 3.32Å; Y70-Y97 WeakPolarHBondContact O-CA 3.33Å; Y70-Q98 HydrophobicContact CD1-CB 4.49Å; Y70-Q98 HydrophobicContact CE1-CB 3.97Å; Y70-Q98 HydrophobicContact CE2-CB 4.42Å; Y70-Q98 PolarHBondContact N-O 3.13Å; Y70-Q98 PolarHBondContact O-N 3.37Å; Y70-Q98 PolarHBondContact OH-OE1 3.43Å; Y70-L100 HydrophobicContact CD1-CD2 3.55Å; Y70-L100 HydrophobicContact CD1-CG 4.1Å; Y70-L100 HydrophobicContact CE1-CD2 4.17Å; Y70-L100 HydrophobicContact CG-CD2 4.38Å
71T89.3Confident81.2Confident7 Ų752.7 Ų52.74%0.04327%0.266CS..EExtended strand (participates in β ladder)trans-141.3150.9164.6-175.40000108.5W32 L34 N95 P96 W131W32-T71 HydrophobicContact CH2-CG2 4.09Å; W32-T71 HydrophobicContact CZ3-CG2 3.86Å; W32-T71 WeakPolarHBondContact CZ3-O 3.21Å; L34-T71 HydrophobicContact CB-CG2 4.06Å; L34-T71 HydrophobicContact CD2-CG2 4.26Å; L34-T71 PolarHBondContact N-O 3.49Å; L34-T71 PolarHBondContact O-N 3.39Å; T71-N95 WeakPolarHBondContact OG1-CB 3.34Å; T71-N95 PolarHBondContact OG1-O 2.97Å; T71-P96 PolarHBondContact OG1-O 2.95Å; T71-P96 VanDerWaalsContact OG1-O 3.13Å; T71-W131 HydrophobicContact CG2-CH2 4.04Å; T71-W131 HydrophobicContact CG2-CZ3 3.61Å
72Q89.1Confident81Confident91 Ų9158.3 Ų58.343%0.42529%0.287SS..EExtended strand (participates in β ladder)trans-144.3153.2-17567.8-176.71.200109.9W32 Y33 N95W32-Q72 VanDerWaalsContact O-CA 3.31Å; W32-Q72 WeakPolarHBondContact O-CA 3.33Å; Y33-Q72 HydrophobicContact CD2-CB 3.94Å; Q72-N95 PolarHBondContact O-ND2 3.18Å
73G86.3Confident80.9Confident9 Ų955.5 Ų55.59%0.09327%0.272CS..EExtended strand (participates in β ladder)trans-157.4168.8175.900000111S31 W32S31-G73 WeakPolarHBondContact CA-O 3.37Å; W32-G73 VanDerWaalsContact CE2-CA 3.43Å; W32-G73 PolarHBondContact N-O 3.38Å; W32-G73 PolarHBondContact O-N 2.89Å
74Y86.4Confident80.8Confident170 Ų17051.6 Ų51.667%0.66726%0.255SS*.EExtended strand (participates in β ladder)trans-139.1153.1177.369.8-85.5000109.9I30I30-Y74 CarbonylContact O-C 3.59Å; I30-Y74 WeakPolarHBondContact O-CA 3.47Å
75M85.1Confident80.9Confident12 Ų1250.4 Ų50.46%0.05925%0.251CS..EExtended strand (participates in β ladder)trans-138.2126.4-175.6-54147.889.200106.6I30 F77 Y90 F91 V127I30-M75 PolarHBondContact N-O 2.9Å; I30-M75 PolarHBondContact O-N 3.18Å; M75-F77 HydrophobicContact CB-CE2 3.79Å; M75-F77 HydrophobicContact CB-CZ 4.13Å; M75-F77 HydrophobicContact CE-CZ 4.07Å; M75-Y90 VanDerWaalsContact CE-CB 3.45Å; M75-Y90 HydrophobicContact CE-CD1 3.09Å; M75-Y90 HydrophobicContact CE-CD2 3.25Å; M75-Y90 HydrophobicContact CE-CE1 3.46Å; M75-Y90 VanDerWaalsContact CE-CE1 3.46Å; M75-Y90 HydrophobicContact CE-CE2 3.57Å; M75-Y90 HydrophobicContact CE-CG 2.98Å; M75-F91 HydrophobicContact CE-CE2 4.5Å; M75-F91 HydrophobicContact CG-CE2 3.91Å; M75-F91 HydrophobicContact CG-CZ 3.7Å; M75-F91 HydrophobicContact SD-CE2 4.25Å; M75-V127 HydrophobicContact CE-CG2 4.46Å
76Y82.8Confident80.3Confident112 Ų11253.1 Ų53.144%0.43926%0.261SS..EExtended strand (participates in β ladder)trans-108.2123178.8-175.9-106.7000109.7A27 N29 E78A27-Y76 HydrophobicContact CB-CE2 4.2Å; N29-Y76 HydrophobicContact CB-CD2 4.35Å; Y76-E78 HydrophobicContact CD1-CG 4.12Å; Y76-E78 HydrophobicContact CE1-CG 3.79Å
77F82.4Confident79.3Confident12 Ų1259.2 Ų59.25%0.05329%0.288CS..EExtended strand (participates in β ladder)trans-108.9112.1177.4-62.1-81.2000109.1A27 F28 I30 M75 N79 L83 Y90A27-F77 CarbonylContact C-O 3.5Å; A27-F77 VanDerWaalsContact CA-O 3.25Å; A27-F77 WeakPolarHBondContact CA-O 3.45Å; A27-F77 WeakPolarHBondContact CB-O 3.39Å; F28-F77 HydrophobicContact CB-CB 4.36Å; F28-F77 HydrophobicContact CB-CD2 4.49Å; F28-F77 PolarHBondContact N-O 3.46Å; F28-F77 PolarHBondContact O-N 2.92Å; I30-F77 HydrophobicContact CB-CE2 4.27Å; I30-F77 HydrophobicContact CD1-CD2 4Å; I30-F77 HydrophobicContact CD1-CE2 3.78Å; I30-F77 HydrophobicContact CG1-CD2 4.12Å; I30-F77 HydrophobicContact CG1-CE2 4.07Å; M75-F77 HydrophobicContact CB-CE2 3.79Å; M75-F77 HydrophobicContact CB-CZ 4.13Å; M75-F77 HydrophobicContact CE-CZ 4.07Å; F77-N79 VanDerWaalsContact C-N 3.29Å; F77-N79 PolarHBondContact O-N 3.18Å; F77-L83 HydrophobicContact CD1-CD1 4.33Å; F77-L83 HydrophobicContact CD2-CD1 3.66Å; F77-L83 HydrophobicContact CE1-CD1 4.41Å; F77-L83 HydrophobicContact CE2-CD1 3.76Å; F77-L83 HydrophobicContact CG-CD1 3.96Å; F77-L83 HydrophobicContact CZ-CD1 4.13Å; F77-Y90 AromaticContact CE1-CE1 3.98Å; F77-Y90 HydrophobicContact CE1-CE1 3.98Å; F77-Y90 HydrophobicContact CZ-CD1 4.28Å; F77-Y90 AromaticContact CZ-CE1 3.71Å; F77-Y90 HydrophobicContact CZ-CE1 3.71Å
78E77.6Confident78.5Confident104 Ų10458.4 Ų58.449%0.48628%0.278SS..SBendtrans-65.8-28.1-176.3-76.6-158.4-15800114.7Y76 R147Y76-E78 HydrophobicContact CD1-CG 4.12Å; Y76-E78 HydrophobicContact CE1-CG 3.79Å; E78-R147 PolarHBondContact O-NH1 3.02Å; E78-R147 IonicContact OE2-CZ 3.38Å; E78-R147 IonicContact OE2-NH1 2.71Å; E78-R147 PolarHBondContact OE2-NH1 3.46Å; E78-R147 IonicContact OE2-NH2 2.88Å; E78-R147 PolarHBondContact OE2-NH2 3.46Å
79N74.4Confident77.7Confident39 Ų3961 Ų6121%0.20929%0.293CS..SBendtrans-145139.7178.5-178.8-16.2000108.5F77 S81 Y82F77-N79 VanDerWaalsContact C-N 3.29Å; F77-N79 PolarHBondContact O-N 3.18Å; N79-S81 PolarHBondContact O-N 3.25Å; N79-S81 PolarHBondContact OD1-N 2.86Å; N79-S81 VanDerWaalsContact OD1-N 3.13Å; N79-Y82 HydrophobicContact CB-CD2 3.91Å; N79-Y82 HydrophobicContact CB-CE2 4.42Å; N79-Y82 WeakPolarHBondContact O-CB 3.39Å; N79-Y82 PolarHBondContact O-N 3.35Å
80C73.3Confident76.9Confident0 Ų059.2 Ų59.20%028%0.284CS..Hα-helixtrans-46.2-32.7173.11640000113.6C22 L26 F28 Y82 L83 F84C22-C80 WeakPolarHBondContact CA-SG 3.38Å; C22-C80 HydrophobicContact CB-CB 4.29Å; C22-C80 WeakPolarHBondContact CB-SG 3.43Å; C22-C80 WeakPolarHBondContact SG-CA 3.42Å; C22-C80 WeakPolarHBondContact SG-CB 3.5Å; C22-C80 CovalentContact SG-SG 2.02Å; C22-C80 PolarHBondContact SG-SG 3.04Å; L26-C80 PolarHBondContact O-N 3.36Å; L26-C80 VanDerWaalsContact O-N 3.1Å; F28-C80 HydrophobicContact CE2-CB 3.78Å; C80-Y82 VanDerWaalsContact C-N 3.33Å; C80-Y82 PolarHBondContact O-N 2.87Å; C80-L83 VanDerWaalsContact O-CB 3.31Å; C80-L83 WeakPolarHBondContact O-CB 3.45Å; C80-L83 PolarHBondContact O-N 3.37Å; C80-F84 VanDerWaalsContact O-CD2 3.28Å; C80-F84 WeakPolarHBondContact O-CD2 3.42Å
81S74.4Confident75.9Confident59 Ų5960 Ų6041%0.41329%0.288SS..Hα-helixtrans-67-32.7177.2-62.10000113.1C22 N79 L83 F84 T85C22-S81 PolarHBondContact SG-N 3.39Å; N79-S81 PolarHBondContact O-N 3.25Å; N79-S81 PolarHBondContact OD1-N 2.86Å; N79-S81 VanDerWaalsContact OD1-N 3.13Å; S81-L83 VanDerWaalsContact C-N 3.3Å; S81-F84 PolarHBondContact O-N 2.71Å; S81-T85 PolarHBondContact O-OG1 3.25Å
82Y75.9Confident74.4Confident140 Ų14064.7 Ų64.755%0.54932%0.318SS..Hα-helixtrans-70.2-28.9175.2-74.7-72.9000111.9N79 C80 F84 T85 Q88N79-Y82 HydrophobicContact CB-CD2 3.91Å; N79-Y82 HydrophobicContact CB-CE2 4.42Å; N79-Y82 WeakPolarHBondContact O-CB 3.39Å; N79-Y82 PolarHBondContact O-N 3.35Å; C80-Y82 VanDerWaalsContact C-N 3.33Å; C80-Y82 PolarHBondContact O-N 2.87Å; Y82-F84 VanDerWaalsContact C-N 3.28Å; Y82-F84 PolarHBondContact O-N 3.46Å; Y82-T85 PolarHBondContact O-N 3.01Å; Y82-T85 PolarHBondContact O-OG1 2.85Å; Y82-Q88 PolarHBondContact O-NE2 3.45Å; Y82-Q88 PolarHBondContact O-OE1 3.39Å
83L74.8Confident73.5Confident2 Ų265 Ų651%0.0132%0.323CS..Hα-helixtrans-61.3-37.8177.7-175.268.2000112F15 F28 I30 F77 C80 S81F15-L83 HydrophobicContact CB-CD1 4.39Å; F15-L83 HydrophobicContact CB-CG 4.01Å; F15-L83 HydrophobicContact CD1-CD1 4.03Å; F15-L83 HydrophobicContact CD1-CD2 4.44Å; F15-L83 HydrophobicContact CD1-CG 4.28Å; F15-L83 HydrophobicContact CD2-CD1 3.58Å; F15-L83 HydrophobicContact CD2-CG 4.13Å; F15-L83 HydrophobicContact CE1-CD1 4.19Å; F15-L83 HydrophobicContact CE2-CD1 3.77Å; F15-L83 HydrophobicContact CG-CD1 3.72Å; F15-L83 HydrophobicContact CG-CD2 4.46Å; F15-L83 HydrophobicContact CG-CG 3.87Å; F15-L83 HydrophobicContact CZ-CD1 4.06Å; F28-L83 HydrophobicContact CD2-CD2 3.83Å; F28-L83 HydrophobicContact CE2-CD2 3.99Å; F28-L83 HydrophobicContact CG-CD2 4.29Å; I30-L83 HydrophobicContact CD1-CD1 3.49Å; I30-L83 VanDerWaalsContact CD1-CD1 3.49Å; F77-L83 HydrophobicContact CD1-CD1 4.33Å; F77-L83 HydrophobicContact CD2-CD1 3.66Å; F77-L83 HydrophobicContact CE1-CD1 4.41Å; F77-L83 HydrophobicContact CE2-CD1 3.76Å; F77-L83 HydrophobicContact CG-CD1 3.96Å; F77-L83 HydrophobicContact CZ-CD1 4.13Å; C80-L83 VanDerWaalsContact O-CB 3.31Å; C80-L83 WeakPolarHBondContact O-CB 3.45Å; C80-L83 PolarHBondContact O-N 3.37Å; S81-L83 VanDerWaalsContact C-N 3.3Å
84F74.5Confident73.1Confident13 Ų1366.4 Ų66.46%0.05733%0.327CS..THydrogen-bonded Turntrans-93.74.6-176.4-56.7-56.9000114.4F15 N17 C80 S81 Y82 P86 F161 F163F15-F84 HydrophobicContact CB-CD1 3.94Å; F15-F84 HydrophobicContact CB-CE1 4.05Å; N17-F84 HydrophobicContact CB-CD1 3.66Å; N17-F84 HydrophobicContact CB-CD2 4.23Å; N17-F84 HydrophobicContact CB-CE1 3.23Å; N17-F84 HydrophobicContact CB-CE2 3.82Å; N17-F84 HydrophobicContact CB-CG 4.16Å; N17-F84 HydrophobicContact CB-CZ 3.32Å; C80-F84 VanDerWaalsContact O-CD2 3.28Å; C80-F84 WeakPolarHBondContact O-CD2 3.42Å; S81-F84 PolarHBondContact O-N 2.71Å; Y82-F84 VanDerWaalsContact C-N 3.28Å; Y82-F84 PolarHBondContact O-N 3.46Å; F84-P86 VanDerWaalsContact O-CD 3.23Å; F84-P86 WeakPolarHBondContact O-CD 3.33Å; F84-P86 VanDerWaalsContact O-N 3.16Å; F84-F161 AromaticContact CE2-CZ 3.93Å; F84-F161 HydrophobicContact CE2-CZ 3.93Å; F84-F161 HydrophobicContact CZ-CE1 4.1Å; F84-F161 AromaticContact CZ-CZ 3.75Å; F84-F161 HydrophobicContact CZ-CZ 3.75Å; F84-F163 HydrophobicContact CE1-CB 4.03Å; F84-F163 HydrophobicContact CZ-CB 3.94Å
85T71.5Confident72.7Confident59 Ų5960.9 Ų60.936%0.36231%0.309SS..  trans-68.1116.4179.4-57.40000109S81 Y82 K87S81-T85 PolarHBondContact O-OG1 3.25Å; Y82-T85 PolarHBondContact O-N 3.01Å; Y82-T85 PolarHBondContact O-OG1 2.85Å; T85-K87 PolarHBondContact O-N 3.3Å
86P60.9Low72.4Confident97 Ų9762.5 Ų62.563%0.6332%0.32SS*.THydrogen-bonded Turntrans-66134.417728-32.2000108.1F84F84-P86 VanDerWaalsContact O-CD 3.23Å; F84-P86 WeakPolarHBondContact O-CD 3.33Å; F84-P86 VanDerWaalsContact O-N 3.16Å
87K60.2Low72.3Confident158 Ų15859.3 Ų59.369%0.68731%0.308SS*.THydrogen-bonded Turntrans86.137.8171-48.1176.8178.8176.60119.1T85 I124T85-K87 PolarHBondContact O-N 3.3Å; K87-I124 HydrophobicContact CB-CD1 4.01Å; K87-I124 HydrophobicContact CB-CG1 4.34Å; K87-I124 HydrophobicContact CB-CG2 3.73Å; K87-I124 HydrophobicContact CD-CD1 4.23Å; K87-I124 HydrophobicContact CG-CD1 4.16Å; K87-I124 HydrophobicContact CG-CG2 4.08Å
88Q67.2Low72.4Confident42 Ų4262 Ų6220%0.19632%0.32CS..  trans-81137.3170.2-72.6175.5-1.100112.4Y82 Y90 S125Y82-Q88 PolarHBondContact O-NE2 3.45Å; Y82-Q88 PolarHBondContact O-OE1 3.39Å; Q88-Y90 HydrophobicContact CB-CD1 4.13Å; Q88-Y90 HydrophobicContact CB-CE1 3.82Å; Q88-S125 WeakPolarHBondContact O-CA 3.46Å; Q88-S125 PolarHBondContact O-N 3.41Å
89V67.6Low72.8Confident61 Ų6159.9 Ų59.937%0.3732%0.316SS..  trans-88116.4164.3178.70000106.4F91 Q122V89-F91 WeakPolarHBondContact CG1-O 3.03Å; V89-Q122 HydrophobicContact CG1-CG 4.37Å; V89-Q122 HydrophobicContact CG2-CG 3.86Å
90Y72.1Confident73.1Confident36 Ų3658.6 Ų58.614%0.14131%0.309CS..  trans-85.1-35.8-174.5-62.5-52.6000113.1M13 M75 F77 Q88 S125 V127M13-Y90 WeakPolarHBondContact O-CE2 3.41Å; M75-Y90 VanDerWaalsContact CE-CB 3.45Å; M75-Y90 HydrophobicContact CE-CD1 3.09Å; M75-Y90 HydrophobicContact CE-CD2 3.25Å; M75-Y90 HydrophobicContact CE-CE1 3.46Å; M75-Y90 VanDerWaalsContact CE-CE1 3.46Å; M75-Y90 HydrophobicContact CE-CE2 3.57Å; M75-Y90 HydrophobicContact CE-CG 2.98Å; F77-Y90 AromaticContact CE1-CE1 3.98Å; F77-Y90 HydrophobicContact CE1-CE1 3.98Å; F77-Y90 HydrophobicContact CZ-CD1 4.28Å; F77-Y90 AromaticContact CZ-CE1 3.71Å; F77-Y90 HydrophobicContact CZ-CE1 3.71Å; Q88-Y90 HydrophobicContact CB-CD1 4.13Å; Q88-Y90 HydrophobicContact CB-CE1 3.82Å; Y90-S125 VanDerWaalsContact CE2-CA 3.49Å; Y90-V127 HydrophobicContact CD2-CG2 3.99Å; Y90-V127 HydrophobicContact CE2-CG2 4.39Å
91F67.6Low73.3Confident38 Ų3860.8 Ų60.817%0.16732%0.324CS..  trans-137.2135.1179.1-59.8-81.4000109.1W32 M75 V89 D93 V127W32-F91 HydrophobicContact CZ2-CE2 4.33Å; W32-F91 AromaticContact NE1-CE2 3.56Å; W32-F91 AromaticContact NE1-CZ 3.65Å; M75-F91 HydrophobicContact CE-CE2 4.5Å; M75-F91 HydrophobicContact CG-CE2 3.91Å; M75-F91 HydrophobicContact CG-CZ 3.7Å; M75-F91 HydrophobicContact SD-CE2 4.25Å; V89-F91 WeakPolarHBondContact CG1-O 3.03Å; F91-D93 VanDerWaalsContact C-N 3.35Å; F91-D93 WeakPolarHBondContact CB-O 3.38Å; F91-V127 HydrophobicContact CE2-CG1 4.48Å
92P59.3Low73.1Confident104 Ų10459.2 Ų59.268%0.67531%0.313SS*.SBendtrans-71.2-32.917427.9-32.5000112
93D70.1Confident72.3Confident97 Ų9755.1 Ų55.152%0.51930%0.304SS..SBendtrans-132.9149.2174.4-68.9-44.4000109.5F91F91-D93 VanDerWaalsContact C-N 3.35Å; F91-D93 WeakPolarHBondContact CB-O 3.38Å
94F77.3Confident71.5Confident39 Ų3962.6 Ų62.617%0.17134%0.336CS..PPolyproline II helixtrans-71141.3176.5-68.9-65.8000112.2F121 A126 K129F94-F121 HydrophobicContact CE2-CB 4.28Å; F94-A126 HydrophobicContact CE1-CB 4.06Å; F94-A126 HydrophobicContact CZ-CB 4.02Å; F94-K129 HydrophobicContact CD2-CB 4.1Å; F94-K129 HydrophobicContact CD2-CD 4.44Å; F94-K129 HydrophobicContact CE2-CB 4.05Å; F94-K129 HydrophobicContact CE2-CD 4.17Å; F94-K129 HydrophobicContact CG-CB 4.39Å; F94-K129 HydrophobicContact CZ-CB 4.29Å
95N77.3Confident70.6Confident54 Ų5466.9 Ų66.929%0.28936%0.36SS..PPolyproline II helixtrans-61133.2174.8-71.79.1000110.5W32 T71 Q72W32-N95 HydrophobicContact CH2-CB 4.32Å; T71-N95 WeakPolarHBondContact OG1-CB 3.34Å; T71-N95 PolarHBondContact OG1-O 2.97Å; Q72-N95 PolarHBondContact O-ND2 3.18Å
96P78.7Confident69.5Low47 Ų4768.7 Ų68.731%0.30537%0.374SS..PPolyproline II helixtrans-61.5147.3178.727.6-35.2000110.4T71 L114T71-P96 PolarHBondContact OG1-O 2.95Å; T71-P96 VanDerWaalsContact OG1-O 3.13Å; P96-L114 HydrophobicContact CB-CD1 4.06Å; P96-L114 HydrophobicContact CB-CD2 3.77Å; P96-L114 HydrophobicContact CB-CG 3.72Å; P96-L114 HydrophobicContact CG-CD1 3.83Å; P96-L114 HydrophobicContact CG-CD2 3.92Å; P96-L114 HydrophobicContact CG-CG 4Å
97Y82.1Confident68.9Low45 Ų4567.8 Ų67.818%0.17638%0.382CS..PPolyproline II helixtrans-90.8148.1174.464.1-87.2000110.6F69 Y70 L117 W131F69-Y97 HydrophobicContact CB-CD2 4.02Å; F69-Y97 AromaticContact CD1-CD2 3.58Å; F69-Y97 HydrophobicContact CD1-CD2 3.58Å; F69-Y97 AromaticContact CD1-CE2 3.82Å; F69-Y97 HydrophobicContact CD1-CE2 3.82Å; F69-Y97 HydrophobicContact CE1-CD2 4.27Å; F69-Y97 HydrophobicContact CE1-CE2 4.04Å; F69-Y97 AromaticContact CG-CD2 3.93Å; F69-Y97 HydrophobicContact CG-CD2 3.93Å; F69-Y97 HydrophobicContact CG-CE2 4.31Å; Y70-Y97 CarbonylContact O-C 3.58Å; Y70-Y97 VanDerWaalsContact O-CA 3.32Å; Y70-Y97 WeakPolarHBondContact O-CA 3.33Å; Y97-L117 HydrophobicContact CE1-CD1 4.2Å; Y97-W131 HydrophobicContact CD1-CB 4.19Å; Y97-W131 HydrophobicContact CD1-CD2 4.35Å; Y97-W131 HydrophobicContact CD1-CE3 4.28Å; Y97-W131 HydrophobicContact CD1-CG 4.33Å; Y97-W131 HydrophobicContact CD2-CD2 4.43Å; Y97-W131 HydrophobicContact CD2-CG 4.37Å; Y97-W131 HydrophobicContact CE1-CB 4.01Å; Y97-W131 HydrophobicContact CE1-CG 4.47Å; Y97-W131 HydrophobicContact CE2-CG 4.5Å; Y97-W131 HydrophobicContact CG-CD2 4.08Å; Y97-W131 HydrophobicContact CG-CE3 4.15Å; Y97-W131 HydrophobicContact CG-CG 4.28Å
98Q83.4Confident68Low67 Ų6769 Ų6931%0.31339%0.387SS..EExtended strand (participates in β ladder)trans-121143.9-177.9-65.5176.83.400109.7F69 Y70F69-Q98 CarbonylContact C-O 3.58Å; F69-Q98 WeakPolarHBondContact CA-O 3.43Å; Y70-Q98 HydrophobicContact CD1-CB 4.49Å; Y70-Q98 HydrophobicContact CE1-CB 3.97Å; Y70-Q98 HydrophobicContact CE2-CB 4.42Å; Y70-Q98 PolarHBondContact N-O 3.13Å; Y70-Q98 PolarHBondContact O-N 3.37Å; Y70-Q98 PolarHBondContact OH-OE1 3.43Å
99P85.5Confident66.9Low60 Ų6076.7 Ų76.739%0.3942%0.423SS..EExtended strand (participates in β ladder)trans-68.7146.117429.6-33.4000110.7F69 V112F69-P99 HydrophobicContact CD1-CB 4.05Å; F69-P99 HydrophobicContact CE1-CB 3.99Å; P99-V112 HydrophobicContact CG-CG1 4.42Å
100L80.9Confident65.5Low13 Ų1378.8 Ų78.87%0.06844%0.439CS..PPolyproline II helixtrans-71.7130.2171.9-71.6166000110.4R35 D59 M61 G68 Y70R35-L100 HydrophobicContact CG-CD1 4.41Å; D59-L100 CarbonylContact O-C 3.58Å; D59-L100 WeakPolarHBondContact O-CA 3.3Å; M61-L100 HydrophobicContact CG-CB 3.76Å; G68-L100 PolarHBondContact O-N 3.19Å; Y70-L100 HydrophobicContact CD1-CD2 3.55Å; Y70-L100 HydrophobicContact CD1-CG 4.1Å; Y70-L100 HydrophobicContact CE1-CD2 4.17Å; Y70-L100 HydrophobicContact CG-CD2 4.38Å
101S77.8Confident64.2Low46 Ų4681 Ų8132%0.32247%0.473SS..BIsolated β-bridgetrans-70.4147.8178.3-63.60000111.9D59 H60 M61D59-S101 PolarHBondContact O-N 3.01Å; H60-S101 CarbonylContact C-O 3.57Å; H60-S101 VanDerWaalsContact CA-O 3.28Å; H60-S101 WeakPolarHBondContact CA-O 3.49Å; M61-S101 PolarHBondContact N-O 3.01Å
102S70.1Confident63.1Low26 Ų2682.1 Ų82.118%0.18248%0.483CS..PPolyproline II helixtrans-69138.4170.6-176.30000110.6K104 D105S102-K104 PolarHBondContact O-N 3.44Å; S102-D105 WeakPolarHBondContact CB-OD2 3.32Å; S102-D105 PolarHBondContact O-N 3.39Å
103P59.8Low62.2Low53 Ų5382.1 Ų82.134%0.34449%0.486SS..G310 helixtrans-55.1-25.8175.1-23.532.7000113M61M61-P103 WeakPolarHBondContact O-CG 3.3Å
104K56.8Low60.9Low160 Ų16081.7 Ų81.770%0.69648%0.483SS*.G310 helixtrans-83.7-14.7-178.7-64.1178.6-174.7162.10114.4D64 S102D64-K104 WeakPolarHBondContact OD2-CE 3.32Å; D64-K104 IonicContact OD2-NZ 3.84Å; D64-K104 PolarHBondContact OD2-NZ 3.47Å; S102-K104 PolarHBondContact O-N 3.44Å
105D56.7Low59.4Low103 Ų10383.5 Ų83.555%0.55150%0.497SS*.G310 helixtrans-102.98.2-176.3-69.8-42000113.4S102 G107 K108S102-D105 WeakPolarHBondContact CB-OD2 3.32Å; S102-D105 PolarHBondContact O-N 3.39Å; D105-G107 PolarHBondContact O-N 3.1Å; D105-K108 PolarHBondContact O-N 3.02Å
106C47Very low57.8Low97 Ų9790.4 Ų90.466%0.65552%0.519SS*.THydrogen-bonded Turntrans-62.780175.5-96.20000111.6
107G48.8Very low56.3Low78 Ų7891.5 Ų91.580%0.80452%0.522SS*.THydrogen-bonded Turntrans168-14.6179.700000114.8D105D105-G107 PolarHBondContact O-N 3.1Å
108K42.9Very low54.2Low183 Ų18393.9 Ų93.980%0.79655%0.545SS*.SBendtrans-115.9116.1174.1-68.5178-177.9174.40109.1D105 C110D105-K108 PolarHBondContact O-N 3.02Å; K108-C110 PolarHBondContact O-N 3.34Å
109Q42.3Very low52.2Low203 Ų20394.2 Ų94.295%0.94955%0.549SS*.  trans-53.5106.8167.8-79.4176.8-6.800108.2G111Q109-G111 PolarHBondContact O-N 3.24Å
110C40Very low50.1Low105 Ų10597.5 Ų97.571%0.70957%0.568SS**  trans-76.8115.1172.5-118.80000107.1K108 V112K108-C110 PolarHBondContact O-N 3.34Å; C110-V112 WeakPolarHBondContact O-CG2 3.34Å; C110-V112 PolarHBondContact O-N 3.36Å
111G43.9Very low48.7Very low83 Ų83100.8 Ų100.886%0.85658%0.582SS**  trans-61102.816800000108.7Q109 S113Q109-G111 PolarHBondContact O-N 3.24Å; G111-S113 PolarHBondContact O-N 3.49Å
112V45.4Very low47.6Very low62 Ų62106 Ų10638%0.37660%0.601SS.*  trans-80.4120.3-176-176.20000109.1P99 C110 L114P99-V112 HydrophobicContact CG-CG1 4.42Å; C110-V112 WeakPolarHBondContact O-CG2 3.34Å; C110-V112 PolarHBondContact O-N 3.36Å; V112-L114 PolarHBondContact O-N 2.87Å
113S39.2Very low47.2Very low104 Ų104108 Ų10873%0.72761%0.608SS**  trans-63.5100.9161.154.60000108.2G111 T115G111-S113 PolarHBondContact O-N 3.49Å; S113-T115 PolarHBondContact O-N 3.34Å; S113-T115 VanDerWaalsContact O-N 3.11Å
114L43.3Very low47.8Very low88 Ų88108.9 Ų108.946%0.46161%0.608SS.*  trans-73.499.3-177.2-159.6118.5000109.2P96 V112 R116P96-L114 HydrophobicContact CB-CD1 4.06Å; P96-L114 HydrophobicContact CB-CD2 3.77Å; P96-L114 HydrophobicContact CB-CG 3.72Å; P96-L114 HydrophobicContact CG-CD1 3.83Å; P96-L114 HydrophobicContact CG-CD2 3.92Å; P96-L114 HydrophobicContact CG-CG 4Å; V112-L114 PolarHBondContact O-N 2.87Å; L114-R116 PolarHBondContact O-N 2.86Å
115T45.9Very low48.7Very low76 Ų76101.6 Ų101.647%0.46658%0.578SS.*  trans-73.696.9175.5-30.40000108.4S113 L117S113-T115 PolarHBondContact O-N 3.34Å; S113-T115 VanDerWaalsContact O-N 3.11Å; T115-L117 PolarHBondContact O-N 3.34Å
116R42.7Very low50Low200 Ų20096.9 Ų96.976%0.75555%0.553SS**  trans-77.2111.5178.2-159.7-174.7-78.9-178.1-5.1108.1L114 S118L114-R116 PolarHBondContact O-N 2.86Å; R116-S118 VanDerWaalsContact C-N 3.29Å; R116-S118 PolarHBondContact O-N 2.94Å
117L47Very low51.8Low69 Ų6992.3 Ų92.336%0.36152%0.522SS..  trans-7687.4166.3-116.2148.6000106.7Y97 T115 D119Y97-L117 HydrophobicContact CE1-CD1 4.2Å; T115-L117 PolarHBondContact O-N 3.34Å; L117-D119 VanDerWaalsContact C-N 3.3Å; L117-D119 PolarHBondContact O-N 3.25Å; L117-D119 VanDerWaalsContact O-N 3.09Å
118S37.8Very low53.6Low96 Ų9688.7 Ų88.767%0.67149%0.485SS*.  trans-81.578177.9590000110R116R116-S118 VanDerWaalsContact C-N 3.29Å; R116-S118 PolarHBondContact O-N 2.94Å
119D43.3Very low55.7Low74 Ų7481 Ų8140%0.39645%0.451SS..  trans-122.8115.6159.6-73.1-36.3000107.8L117 F121 K129L117-D119 VanDerWaalsContact C-N 3.3Å; L117-D119 PolarHBondContact O-N 3.25Å; L117-D119 VanDerWaalsContact O-N 3.09Å; D119-F121 HydrophobicContact CB-CD2 3.3Å; D119-F121 HydrophobicContact CB-CE2 3.21Å; D119-F121 HydrophobicContact CB-CZ 4.35Å; D119-F121 PolarHBondContact O-N 2.88Å; D119-F121 WeakPolarHBondContact OD2-CE2 3.48Å; D119-K129 IonicContact OD2-NZ 3.66Å; D119-K129 PolarHBondContact OD2-NZ 3.42Å
120V40.5Very low57.9Low129 Ų12971.3 Ų71.378%0.78241%0.406SS*.  trans-67.498172.81790000107.5
121F52.3Low60.1Low81 Ų8167.5 Ų67.536%0.35538%0.377SS..  trans-116.4103.1176.7-83.2-70.8000110.1F94 D119 E123F94-F121 HydrophobicContact CE2-CB 4.28Å; D119-F121 HydrophobicContact CB-CD2 3.3Å; D119-F121 HydrophobicContact CB-CE2 3.21Å; D119-F121 HydrophobicContact CB-CZ 4.35Å; D119-F121 PolarHBondContact O-N 2.88Å; D119-F121 WeakPolarHBondContact OD2-CE2 3.48Å; F121-E123 HydrophobicContact CD1-CG 4.43Å; F121-E123 PolarHBondContact O-N 2.95Å
122Q53Low62.2Low157 Ų15767.1 Ų67.173%0.73436%0.358SS*.  trans-83.658.1170.7-158.91595.100110V89V89-Q122 HydrophobicContact CG1-CG 4.37Å; V89-Q122 HydrophobicContact CG2-CG 3.86Å
123E62.3Low64.3Low68 Ų6866.7 Ų66.732%0.31835%0.353SS..  trans-85.6119.2175.5-76.7-163.4161.500110.3T10 F12 F121 S125 A126T10-E123 PolarHBondContact OG1-OE2 3.32Å; F12-E123 HydrophobicContact CE1-CB 4.12Å; F12-E123 WeakPolarHBondContact CZ-OE2 3.39Å; F121-E123 HydrophobicContact CD1-CG 4.43Å; F121-E123 PolarHBondContact O-N 2.95Å; E123-S125 PolarHBondContact O-N 3.46Å; E123-A126 HydrophobicContact CB-CB 3.81Å; E123-A126 WeakPolarHBondContact O-CB 3.47Å; E123-A126 PolarHBondContact O-N 3.47Å
124I71.9Confident66.7Low70 Ų7061.9 Ų61.936%0.35932%0.32SS..THydrogen-bonded Turntrans-56.5130.8177.9-71.1165.2000110.4F12 K87 A126F12-I124 WeakPolarHBondContact CD1-O 3.45Å; K87-I124 HydrophobicContact CB-CD1 4.01Å; K87-I124 HydrophobicContact CB-CG1 4.34Å; K87-I124 HydrophobicContact CB-CG2 3.73Å; K87-I124 HydrophobicContact CD-CD1 4.23Å; K87-I124 HydrophobicContact CG-CD1 4.16Å; K87-I124 HydrophobicContact CG-CG2 4.08Å; I124-A126 PolarHBondContact O-N 3.01Å
125S77.5Confident69Low7 Ų757.7 Ų57.75%0.04930%0.298CS..THydrogen-bonded Turntrans62.913.2178.1-57.50000115.6F12 M13 Q88 Y90 E123F12-S125 CarbonylContact C-O 3.54Å; F12-S125 VanDerWaalsContact CA-O 3.24Å; F12-S125 WeakPolarHBondContact CA-O 3.43Å; M13-S125 PolarHBondContact N-O 3.16Å; M13-S125 WeakPolarHBondContact O-CB 3.44Å; Q88-S125 WeakPolarHBondContact O-CA 3.46Å; Q88-S125 PolarHBondContact O-N 3.41Å; Y90-S125 VanDerWaalsContact CE2-CA 3.49Å; E123-S125 PolarHBondContact O-N 3.46Å
126A82.7Confident71.1Confident5 Ų554.2 Ų54.24%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-76.8139.517500000111.1F12 F94 E123 I124F12-A126 HydrophobicContact CD1-CB 4.06Å; F12-A126 HydrophobicContact CE1-CB 3.99Å; F94-A126 HydrophobicContact CE1-CB 4.06Å; F94-A126 HydrophobicContact CZ-CB 4.02Å; E123-A126 HydrophobicContact CB-CB 3.81Å; E123-A126 WeakPolarHBondContact O-CB 3.47Å; E123-A126 PolarHBondContact O-N 3.47Å; I124-A126 PolarHBondContact O-N 3.01Å
127V85.3Confident73.4Confident1 Ų145.1 Ų45.11%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-120.4-42.3-175.1-179.70000111.9I11 M13 W32 M75 Y90 F91 F138I11-V127 PolarHBondContact O-N 3.3Å; M13-V127 HydrophobicContact CB-CG2 3.56Å; M13-V127 HydrophobicContact CE-CG2 4.36Å; W32-V127 HydrophobicContact CB-CG1 4.45Å; W32-V127 VanDerWaalsContact CD1-CG1 3.42Å; W32-V127 HydrophobicContact CD2-CG1 3.44Å; W32-V127 VanDerWaalsContact CD2-CG1 3.44Å; W32-V127 HydrophobicContact CE3-CG1 4.18Å; W32-V127 HydrophobicContact CG-CG1 3.54Å; W32-V127 HydrophobicContact CZ2-CG1 3.92Å; W32-V127 WeakPolarHBondContact CZ2-O 3.3Å; W32-V127 VanDerWaalsContact NE1-CG1 3.25Å; M75-V127 HydrophobicContact CE-CG2 4.46Å; Y90-V127 HydrophobicContact CD2-CG2 3.99Å; Y90-V127 HydrophobicContact CE2-CG2 4.39Å; F91-V127 HydrophobicContact CE2-CG1 4.48Å; V127-F138 HydrophobicContact CG1-CZ 4.48Å
128A86.1Confident75.5Confident2 Ų241.9 Ų41.92%0.01723%0.226CC..EExtended strand (participates in β ladder)trans-151.2159.6-179.300000111.4I11 W32 L34I11-A128 HydrophobicContact CD1-CB 4.47Å; I11-A128 PolarHBondContact N-O 2.97Å; W32-A128 HydrophobicContact CH2-CB 4.06Å; W32-A128 HydrophobicContact CZ3-CB 3.94Å; L34-A128 HydrophobicContact CD2-CB 3.72Å
129K87.6Confident78Confident21 Ų2138 Ų389%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-124.1137.1176.1-168.6174.6179.7-1780109.8N8 T9 T10 F94 D119N8-K129 VanDerWaalsContact OD1-CE 3.25Å; N8-K129 WeakPolarHBondContact OD1-CE 3.41Å; T9-K129 CarbonylContact O-C 3.54Å; T9-K129 WeakPolarHBondContact O-CA 3.24Å; T10-K129 HydrophobicContact CG2-CD 4.33Å; T10-K129 HydrophobicContact CG2-CG 4.11Å; F94-K129 HydrophobicContact CD2-CB 4.1Å; F94-K129 HydrophobicContact CD2-CD 4.44Å; F94-K129 HydrophobicContact CE2-CB 4.05Å; F94-K129 HydrophobicContact CE2-CD 4.17Å; F94-K129 HydrophobicContact CG-CB 4.39Å; F94-K129 HydrophobicContact CZ-CB 4.29Å; D119-K129 IonicContact OD2-NZ 3.66Å; D119-K129 PolarHBondContact OD2-NZ 3.42Å
130A88.2Confident80.2Confident0 Ų035.8 Ų35.80%019%0.186CC..  trans-73.3134.8175.500000110.5L5 Y6 N8 T9 Y136L5-A130 HydrophobicContact CB-CB 4.13Å; L5-A130 HydrophobicContact CD1-CB 4.21Å; Y6-A130 WeakPolarHBondContact O-CB 3.25Å; N8-A130 WeakPolarHBondContact CA-O 3.38Å; N8-A130 PolarHBondContact N-O 3.29Å; T9-A130 PolarHBondContact O-N 3.21Å; A130-Y136 HydrophobicContact CB-CE1 4.11Å; A130-Y136 HydrophobicContact CB-CE2 4.08Å
131W85.9Confident82.4Confident25 Ų2532.4 Ų32.410%0.09516%0.161CC..  trans-96.3-31.7-175.34589.4000113.5L34 S36 F69 T71 Y97 Y136L34-W131 HydrophobicContact CD2-CH2 3.99Å; L34-W131 HydrophobicContact CD2-CZ3 3.7Å; L34-W131 HydrophobicContact CG-CH2 4.02Å; L34-W131 HydrophobicContact CG-CZ3 4.24Å; S36-W131 VanDerWaalsContact CB-CZ2 3.41Å; F69-W131 HydrophobicContact CB-CZ2 3.59Å; F69-W131 AromaticContact CD2-NE1 3.6Å; F69-W131 AromaticContact CG-NE1 3.82Å; F69-W131 WeakPolarHBondContact O-CZ2 3.31Å; T71-W131 HydrophobicContact CG2-CH2 4.04Å; T71-W131 HydrophobicContact CG2-CZ3 3.61Å; Y97-W131 HydrophobicContact CD1-CB 4.19Å; Y97-W131 HydrophobicContact CD1-CD2 4.35Å; Y97-W131 HydrophobicContact CD1-CE3 4.28Å; Y97-W131 HydrophobicContact CD1-CG 4.33Å; Y97-W131 HydrophobicContact CD2-CD2 4.43Å; Y97-W131 HydrophobicContact CD2-CG 4.37Å; Y97-W131 HydrophobicContact CE1-CB 4.01Å; Y97-W131 HydrophobicContact CE1-CG 4.47Å; Y97-W131 HydrophobicContact CE2-CG 4.5Å; Y97-W131 HydrophobicContact CG-CD2 4.08Å; Y97-W131 HydrophobicContact CG-CE3 4.15Å; Y97-W131 HydrophobicContact CG-CG 4.28Å; W131-Y136 HydrophobicContact CD2-CE1 4.14Å; W131-Y136 AromaticContact CE2-CE1 3.79Å; W131-Y136 HydrophobicContact CE3-CE1 4.32Å; W131-Y136 HydrophobicContact CH2-CD1 4.47Å; W131-Y136 AromaticContact CH2-CE1 3.92Å; W131-Y136 HydrophobicContact CH2-CE1 3.92Å; W131-Y136 HydrophobicContact CZ2-CD1 4.43Å; W131-Y136 AromaticContact CZ2-CE1 3.69Å; W131-Y136 HydrophobicContact CZ2-CE1 3.69Å; W131-Y136 HydrophobicContact CZ3-CE1 4.21Å; W131-Y136 PolarHBondContact N-OH 2.9Å
132V87.8Confident84Confident75 Ų7530.9 Ų30.946%0.45516%0.159SC..SBendtrans-138.9149.7-176.6171.80000110.4G134 Y136V132-G134 PolarHBondContact O-N 3.34Å; V132-Y136 PolarHBondContact N-OH 3.31Å; V132-Y136 WeakPolarHBondContact O-CE2 3.46Å; V132-Y136 VanDerWaalsContact O-CZ 3.32Å; V132-Y136 PolarHBondContact O-OH 3.34Å
133D89.7Confident85.6Confident53 Ų5327.2 Ų27.228%0.28314%0.141SC..SBendtrans-60.9118.5170.1-70.4-2.9000111.1L5 Y6 A7 W394 R395L5-D133 WeakPolarHBondContact O-CA 3.49Å; Y6-D133 WeakPolarHBondContact CA-OD1 3.28Å; A7-D133 PolarHBondContact N-OD1 2.92Å; D133-W394 HydrophobicContact CB-CH2 4.48Å; D133-W394 HydrophobicContact CB-CZ2 4.43Å; D133-R395 IonicContact OD2-NH2 3.49Å; D133-R395 PolarHBondContact OD2-NH2 3.17Å
134G89.7Confident86.5Confident3 Ų327.7 Ų27.73%0.03115%0.15CC..EExtended strand (participates in β ladder)trans175.7-178.6-179.400000114.6T4 L5 V132 Y136T4-G134 CarbonylContact C-O 3.54Å; T4-G134 VanDerWaalsContact CA-O 3.28Å; T4-G134 WeakPolarHBondContact CA-O 3.45Å; L5-G134 PolarHBondContact N-O 3.36Å; L5-G134 PolarHBondContact O-N 3.24Å; L5-G134 VanDerWaalsContact O-N 3.1Å; V132-G134 PolarHBondContact O-N 3.34Å; G134-Y136 WeakPolarHBondContact O-CD2 3.48Å
135P91.1Very high86.8Confident0 Ų027 Ų270%015%0.15CC..EExtended strand (participates in β ladder)trans-77.1131.1172.432.8-33.4000110.5T4 S37 Y40 V43 F44T4-P135 HydrophobicContact CG2-CB 3.92Å; S37-P135 PolarHBondContact N-O 3.08Å; S37-P135 WeakPolarHBondContact O-CD 3.29Å; S37-P135 WeakPolarHBondContact O-CG 3.33Å; Y40-P135 HydrophobicContact CD2-CB 4.31Å; V43-P135 HydrophobicContact CB-CB 4.09Å; V43-P135 HydrophobicContact CG1-CB 4.3Å; V43-P135 HydrophobicContact CG2-CB 4.05Å; V43-P135 HydrophobicContact CG2-CG 4.41Å; F44-P135 HydrophobicContact CD2-CB 4.42Å; F44-P135 HydrophobicContact CE2-CB 3.91Å
136Y90.9Very high86.5Confident2 Ų228.4 Ų28.41%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-120.8140.3177.8-73.1-101.3000111.3R2 K3 L5 L34 R35 V43 A130 W131 V132 G134R2-Y136 WeakPolarHBondContact CA-O 3.48Å; K3-Y136 PolarHBondContact N-O 2.97Å; K3-Y136 VanDerWaalsContact N-O 3.09Å; K3-Y136 PolarHBondContact O-N 3.07Å; L5-Y136 HydrophobicContact CB-CD2 3.65Å; L5-Y136 HydrophobicContact CB-CE2 3.92Å; L5-Y136 HydrophobicContact CB-CG 4.45Å; L5-Y136 HydrophobicContact CD1-CD1 4.4Å; L5-Y136 HydrophobicContact CD1-CD2 3.83Å; L5-Y136 HydrophobicContact CD1-CG 3.77Å; L5-Y136 HydrophobicContact CG-CD2 3.84Å; L5-Y136 HydrophobicContact CG-CG 4.22Å; L34-Y136 HydrophobicContact CD1-CD1 3.79Å; L34-Y136 HydrophobicContact CD1-CG 4.41Å; L34-Y136 HydrophobicContact CD2-CD1 4.25Å; L34-Y136 HydrophobicContact CD2-CE1 4.47Å; L34-Y136 HydrophobicContact CG-CD1 3.99Å; R35-Y136 CarbonylContact O-C 3.58Å; R35-Y136 WeakPolarHBondContact O-CA 3.36Å; V43-Y136 WeakPolarHBondContact CG1-O 3.47Å; A130-Y136 HydrophobicContact CB-CE1 4.11Å; A130-Y136 HydrophobicContact CB-CE2 4.08Å; W131-Y136 HydrophobicContact CD2-CE1 4.14Å; W131-Y136 AromaticContact CE2-CE1 3.79Å; W131-Y136 HydrophobicContact CE3-CE1 4.32Å; W131-Y136 HydrophobicContact CH2-CD1 4.47Å; W131-Y136 AromaticContact CH2-CE1 3.92Å; W131-Y136 HydrophobicContact CH2-CE1 3.92Å; W131-Y136 HydrophobicContact CZ2-CD1 4.43Å; W131-Y136 AromaticContact CZ2-CE1 3.69Å; W131-Y136 HydrophobicContact CZ2-CE1 3.69Å; W131-Y136 HydrophobicContact CZ3-CE1 4.21Å; W131-Y136 PolarHBondContact N-OH 2.9Å; V132-Y136 PolarHBondContact N-OH 3.31Å; V132-Y136 WeakPolarHBondContact O-CE2 3.46Å; V132-Y136 VanDerWaalsContact O-CZ 3.32Å; V132-Y136 PolarHBondContact O-OH 3.34Å; G134-Y136 WeakPolarHBondContact O-CD2 3.48Å
137L90.6Very high85.6Confident10 Ų1034.6 Ų34.65%0.05218%0.184CC..EExtended strand (participates in β ladder)trans-112.9115.7169.8-176.364000108.5R2 R35 V43 M55 I139R2-L137 HydrophobicContact CB-CD1 4.35Å; R35-L137 PolarHBondContact N-O 3.17Å; R35-L137 PolarHBondContact O-N 3.13Å; V43-L137 HydrophobicContact CG1-CB 4.11Å; V43-L137 HydrophobicContact CG2-CB 4.34Å; M55-L137 HydrophobicContact SD-CD2 3.98Å; L137-I139 HydrophobicContact CD2-CD1 3.94Å; L137-I139 HydrophobicContact CD2-CG1 4.28Å; L137-I139 HydrophobicContact CG-CD1 4.2Å; L137-I139 HydrophobicContact CG-CG1 4Å
138F90.8Very high84.2Confident1 Ų136.4 Ų36.40%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-107.6118.4175.1-176.9-116.1000109.9F1 I11 M13 W32 L34 V127 V140 V167 M169F1-F138 HydrophobicContact CB-CB 4.31Å; F1-F138 AromaticContact CD2-CD1 3.95Å; F1-F138 HydrophobicContact CD2-CD1 3.95Å; F1-F138 PolarHBondContact N-O 3.27Å; F1-F138 PolarHBondContact O-N 3.16Å; I11-F138 HydrophobicContact CD1-CD2 4.4Å; I11-F138 HydrophobicContact CG2-CD1 4.38Å; I11-F138 HydrophobicContact CG2-CE1 4.18Å; I11-F138 HydrophobicContact CG2-CE2 4.5Å; I11-F138 HydrophobicContact CG2-CZ 4.24Å; M13-F138 HydrophobicContact CE-CE1 3.78Å; M13-F138 HydrophobicContact CE-CZ 3.46Å; M13-F138 VanDerWaalsContact CE-CZ 3.46Å; W32-F138 HydrophobicContact CB-CE2 3.92Å; W32-F138 HydrophobicContact CB-CZ 4Å; W32-F138 HydrophobicContact CD2-CE2 4.44Å; W32-F138 HydrophobicContact CE3-CE2 4.06Å; W32-F138 HydrophobicContact CG-CE2 4.42Å; L34-F138 HydrophobicContact CB-CD2 4.11Å; L34-F138 HydrophobicContact CD1-CB 3.97Å; L34-F138 HydrophobicContact CD1-CD2 3.99Å; L34-F138 HydrophobicContact CD1-CG 4.45Å; V127-F138 HydrophobicContact CG1-CZ 4.48Å; F138-V140 HydrophobicContact CD1-CG2 3.88Å; F138-V140 HydrophobicContact CE1-CG2 3.26Å; F138-V140 HydrophobicContact CZ-CG2 3.68Å; F138-V167 HydrophobicContact CD1-CG1 4.02Å; F138-V167 HydrophobicContact CE1-CG1 4.03Å; F138-V167 HydrophobicContact CE1-CG2 4.25Å; F138-M169 HydrophobicContact CB-CE 3.85Å; F138-M169 HydrophobicContact CD1-CE 4.36Å; F138-M169 HydrophobicContact CG-CE 4.38Å
139I90.1Very high82.7Confident13 Ų1343.7 Ų43.77%0.06723%0.234CC..EExtended strand (participates in β ladder)trans-114.6133.1-178.5-54.7166.6000107.8W32 Y33 A52 M55 F56 L137W32-I139 CarbonylContact C-O 3.51Å; W32-I139 WeakPolarHBondContact CA-O 3.31Å; Y33-I139 HydrophobicContact CD1-CD1 4.12Å; Y33-I139 PolarHBondContact N-O 3.4Å; Y33-I139 PolarHBondContact O-N 3.21Å; A52-I139 WeakPolarHBondContact O-CD1 3.42Å; M55-I139 HydrophobicContact CB-CD1 4.12Å; F56-I139 HydrophobicContact CB-CG2 4.49Å; F56-I139 HydrophobicContact CD2-CB 4.04Å; F56-I139 HydrophobicContact CD2-CG2 3.65Å; F56-I139 HydrophobicContact CE2-CG2 4.44Å; L137-I139 HydrophobicContact CD2-CD1 3.94Å; L137-I139 HydrophobicContact CD2-CG1 4.28Å; L137-I139 HydrophobicContact CG-CD1 4.2Å; L137-I139 HydrophobicContact CG-CG1 4Å
140V89.4Confident81Confident28 Ų2851.5 Ų51.517%0.1727%0.271CS..EExtended strand (participates in β ladder)trans-122.1128.7175.5-173.30000107.6F1 M13 I30 F138 V142 M165F1-V140 HydrophobicContact CE2-CG2 4.4Å; M13-V140 HydrophobicContact CE-CB 4.39Å; M13-V140 HydrophobicContact CE-CG1 3.91Å; M13-V140 HydrophobicContact CE-CG2 3.52Å; M13-V140 HydrophobicContact SD-CG1 4.3Å; I30-V140 HydrophobicContact CG2-CG1 3.82Å; F138-V140 HydrophobicContact CD1-CG2 3.88Å; F138-V140 HydrophobicContact CE1-CG2 3.26Å; F138-V140 HydrophobicContact CZ-CG2 3.68Å; V140-V142 HydrophobicContact CG1-CG2 4.14Å; V140-M165 HydrophobicContact CB-CE 4.05Å; V140-M165 HydrophobicContact CB-SD 4.32Å; V140-M165 HydrophobicContact CG1-CE 4.25Å; V140-M165 HydrophobicContact CG1-SD 3.89Å; V140-M165 HydrophobicContact CG2-CE 4.03Å; V140-M165 HydrophobicContact CG2-SD 4.31Å
141K88.1Confident79.3Confident59 Ų5954.3 Ų54.326%0.25729%0.285SS..EExtended strand (participates in β ladder)trans-117115.6176.3174.5-176.6-175.5-166.90107.9S31 M53 F56 Q143S31-K141 PolarHBondContact N-O 3.5Å; S31-K141 PolarHBondContact O-N 3Å; S31-K141 WeakPolarHBondContact OG-CB 3.42Å; S31-K141 PolarHBondContact OG-O 3.01Å; M53-K141 HydrophobicContact CE-CB 4.46Å; M53-K141 HydrophobicContact CE-CD 4.01Å; M53-K141 HydrophobicContact CE-CG 3.88Å; F56-K141 HydrophobicContact CD1-CD 4.35Å; F56-K141 HydrophobicContact CD2-CB 4.41Å; F56-K141 HydrophobicContact CE1-CD 4.23Å; F56-K141 HydrophobicContact CE2-CB 4.06Å; F56-K141 HydrophobicContact CZ-CB 4.18Å; K141-Q143 VanDerWaalsContact CE-CD 3.48Å; K141-Q143 HydrophobicContact CG-CG 4.24Å
142V86.2Confident77.7Confident49 Ų4959.8 Ų59.830%0.29731%0.312SS..EExtended strand (participates in β ladder)trans-103.7123.6178.1-178.80000108.2F28 I30 V140 F163F28-V142 HydrophobicContact CD1-CG1 4.1Å; I30-V142 HydrophobicContact CD1-CG2 4.41Å; I30-V142 HydrophobicContact CG1-CG1 4.26Å; I30-V142 HydrophobicContact CG1-CG2 4.28Å; I30-V142 HydrophobicContact CG2-CG2 4.34Å; V140-V142 HydrophobicContact CG1-CG2 4.14Å; V142-F163 HydrophobicContact CB-CZ 4.41Å; V142-F163 HydrophobicContact CG1-CE1 4.35Å; V142-F163 HydrophobicContact CG1-CZ 3.93Å; V142-F163 HydrophobicContact CG2-CZ 4.14Å
143Q85.1Confident75.8Confident79 Ų7963.5 Ų63.537%0.36933%0.329SS..EExtended strand (participates in β ladder)trans-120.6115.6176.2-66.8-176.2-56.600109N29 K141N29-Q143 HydrophobicContact CB-CB 4.42Å; N29-Q143 PolarHBondContact N-O 3.08Å; N29-Q143 PolarHBondContact O-N 3.02Å; K141-Q143 VanDerWaalsContact CE-CD 3.48Å; K141-Q143 HydrophobicContact CG-CG 4.24Å
144P81.6Confident74Confident78 Ų7865.7 Ų65.751%0.50634%0.34SS..EExtended strand (participates in β ladder)trans-70.5143.617030.4-32.6000109.8F28F28-P144 HydrophobicContact CD1-CB 4.36Å; F28-P144 HydrophobicContact CE1-CB 4.23Å
145V79.2Confident72.1Confident57 Ų5769.4 Ų69.435%0.34536%0.358SS..EExtended strand (participates in β ladder)trans-129.4118.4177.8-177.50000107.5A27 N29A27-V145 HydrophobicContact CB-CB 4.26Å; A27-V145 WeakPolarHBondContact CB-O 3.4Å; A27-V145 PolarHBondContact N-O 2.94Å; A27-V145 PolarHBondContact O-N 3.42Å; N29-V145 HydrophobicContact CB-CG2 4.33Å
146A70.2Confident70Confident35 Ų3574.4 Ų74.429%0.28939%0.393SS..EExtended strand (participates in β ladder)trans-83141.1174.400000110.7L155A146-L155 HydrophobicContact CB-CD1 3.48Å; A146-L155 VanDerWaalsContact CB-CD1 3.48Å
147R63.7Low67.8Low136 Ų13681.9 Ų81.951%0.51343%0.428SS..  trans-96.13.4-172.5-134.2172.8-175.3165-5.2114.5F25 E78F25-R147 PolarHBondContact O-N 3.15Å; E78-R147 PolarHBondContact O-NH1 3.02Å; E78-R147 IonicContact OE2-CZ 3.38Å; E78-R147 IonicContact OE2-NH1 2.71Å; E78-R147 PolarHBondContact OE2-NH1 3.46Å; E78-R147 IonicContact OE2-NH2 2.88Å; E78-R147 PolarHBondContact OE2-NH2 3.46Å
148S56.6Low66Low39 Ų3989 Ų8927%0.27346%0.461SS..  trans-130.8126.8-176.152.90000113.1E150 I151S148-E150 PolarHBondContact O-N 3.42Å; S148-E150 VanDerWaalsContact O-N 3.17Å; S148-I151 PolarHBondContact O-N 3.22Å; S148-I151 VanDerWaalsContact O-N 3.09Å; S148-I151 WeakPolarHBondContact OG-CD1 3.32Å; S148-I151 WeakPolarHBondContact OG-CG1 3.21Å
149L54.1Low64.3Low155 Ų15592.8 Ų92.881%0.81248%0.481SS*.G310 helixtrans-60.9-18.3-179.1-72157.8000114.4I151L149-I151 VanDerWaalsContact C-N 3.31Å
150E52.3Low62.7Low184 Ų18498.7 Ų98.786%0.8651%0.513SS*.G310 helixtrans-83.2-5.6176.9-64.9-178.3173.800113.4S148S148-E150 PolarHBondContact O-N 3.42Å; S148-E150 VanDerWaalsContact O-N 3.17Å
151I53.4Low61.7Low60 Ų6099.3 Ų99.331%0.30851%0.514SS..G310 helixtrans-121.626-176.6-43.5-178.8000109.9S148 L149 I154S148-I151 PolarHBondContact O-N 3.22Å; S148-I151 VanDerWaalsContact O-N 3.09Å; S148-I151 WeakPolarHBondContact OG-CD1 3.32Å; S148-I151 WeakPolarHBondContact OG-CG1 3.21Å; L149-I151 VanDerWaalsContact C-N 3.31Å; I151-I154 HydrophobicContact CG2-CB 3.85Å; I151-I154 HydrophobicContact CG2-CD1 4.29Å; I151-I154 HydrophobicContact CG2-CG1 4.44Å; I151-I154 HydrophobicContact CG2-CG2 4.47Å
152E51Low61Low140 Ų140100.4 Ų100.465%0.65453%0.533SS*.SBendtrans-75.4-33.8165.9-86.8-176.715600110.9L155E152-L155 PolarHBondContact O-N 3.21Å
153D48.4Very low60.6Low152 Ų152100.8 Ų100.881%0.81353%0.531SS*.SBendtrans-78.7-16.5-179.2-73.5-24.6000114.3S156D153-S156 PolarHBondContact O-OG 3.21Å
154I50.7Low60.5Low100 Ų100101.3 Ų101.351%0.51354%0.54SS..SBendtrans-92.9-16.1176.2-53.6174.7000111I151 S156 E157I151-I154 HydrophobicContact CG2-CB 3.85Å; I151-I154 HydrophobicContact CG2-CD1 4.29Å; I151-I154 HydrophobicContact CG2-CG1 4.44Å; I151-I154 HydrophobicContact CG2-CG2 4.47Å; I154-S156 VanDerWaalsContact C-N 3.27Å; I154-S156 PolarHBondContact O-N 3.45Å; I154-E157 PolarHBondContact O-N 3.18Å; I154-E157 VanDerWaalsContact O-N 3.13Å
155L49.9Very low60.7Low80 Ų8099.8 Ų99.842%0.41953%0.527SS..THydrogen-bonded Turntrans-75.3-14.1-173.9-165.2130.6000113.8A146 E152 E157A146-L155 HydrophobicContact CB-CD1 3.48Å; A146-L155 VanDerWaalsContact CB-CD1 3.48Å; E152-L155 PolarHBondContact O-N 3.21Å; L155-E157 VanDerWaalsContact C-N 3.32Å
156S47Very low61.2Low105 Ų105100.5 Ų100.573%0.73453%0.525SS*.THydrogen-bonded Turntrans-77-16.3170.941.10000112.8D153 I154 Q158D153-S156 PolarHBondContact O-OG 3.21Å; I154-S156 VanDerWaalsContact C-N 3.27Å; I154-S156 PolarHBondContact O-N 3.45Å; S156-Q158 VanDerWaalsContact C-N 3.34Å; S156-Q158 PolarHBondContact O-N 2.91Å
157E46.2Very low62.1Low159 Ų159100.2 Ų100.274%0.74352%0.52SS*.SBendtrans-87.376.6163.8-77.7-168.215600109.9I154 L155 L159I154-E157 PolarHBondContact O-N 3.18Å; I154-E157 VanDerWaalsContact O-N 3.13Å; L155-E157 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 3.24Å
158Q51.8Low63.3Low159 Ų15994.6 Ų94.674%0.74350%0.499SS*.  trans15.573151.5-152.9166-0.800115.7S156 N160S156-Q158 VanDerWaalsContact C-N 3.34Å; S156-Q158 PolarHBondContact O-N 2.91Å; Q158-N160 VanDerWaalsContact C-N 3.34Å; Q158-N160 PolarHBondContact O-N 3.26Å
159L54.8Low64.9Low81 Ų8193.5 Ų93.542%0.42449%0.49SS..  trans-59.1100168.4-105138.5000107.8L26 E157 F161L26-L159 HydrophobicContact CD1-CD2 4.35Å; E157-L159 PolarHBondContact O-N 3.24Å; L159-F161 PolarHBondContact O-N 2.99Å
160N57.6Low66.6Low137 Ų13790.2 Ų90.273%0.73347%0.469SS*.  trans-75.264.6177.1-72.6-33.1000109.5Q158 A162Q158-N160 VanDerWaalsContact C-N 3.34Å; Q158-N160 PolarHBondContact O-N 3.26Å; N160-A162 PolarHBondContact O-N 3.46Å
161F67.1Low68.2Low42 Ų4282 Ų8218%0.18444%0.435CS..  trans-79.7102.3173.3-176.4-104.2000109.5F28 F84 L159 F163F28-F161 HydrophobicContact CE1-CD1 4.02Å; F28-F161 HydrophobicContact CE1-CE1 4.24Å; F28-F161 HydrophobicContact CE2-CE1 4.15Å; F28-F161 AromaticContact CZ-CD1 3.57Å; F28-F161 HydrophobicContact CZ-CD1 3.57Å; F28-F161 AromaticContact CZ-CE1 3.48Å; F28-F161 HydrophobicContact CZ-CE1 3.48Å; F28-F161 VanDerWaalsContact CZ-CE1 3.48Å; F28-F161 HydrophobicContact CZ-CG 4.36Å; F28-F161 HydrophobicContact CZ-CZ 4.21Å; F84-F161 AromaticContact CE2-CZ 3.93Å; F84-F161 HydrophobicContact CE2-CZ 3.93Å; F84-F161 HydrophobicContact CZ-CE1 4.1Å; F84-F161 AromaticContact CZ-CZ 3.75Å; F84-F161 HydrophobicContact CZ-CZ 3.75Å; L159-F161 PolarHBondContact O-N 2.99Å; F161-F163 HydrophobicContact CD1-CB 4.43Å; F161-F163 AromaticContact CD1-CD1 3.53Å; F161-F163 HydrophobicContact CD1-CD1 3.53Å; F161-F163 HydrophobicContact CD1-CE1 4.26Å; F161-F163 HydrophobicContact CD1-CG 4.38Å; F161-F163 HydrophobicContact CE1-CB 3.8Å; F161-F163 AromaticContact CE1-CD1 3.55Å; F161-F163 HydrophobicContact CE1-CD1 3.55Å; F161-F163 HydrophobicContact CE1-CE1 4.47Å; F161-F163 AromaticContact CE1-CG 3.97Å; F161-F163 HydrophobicContact CE1-CG 3.97Å; F161-F163 HydrophobicContact CZ-CB 4.4Å
162A73.3Confident69.7Low81 Ų8183.3 Ų83.367%0.66945%0.447SS*.  trans-87.1121.8175.100000110.5N17 N160N17-A162 PolarHBondContact ND2-O 3.25Å; N17-A162 VanDerWaalsContact ND2-O 3.08Å; N160-A162 PolarHBondContact O-N 3.46Å
163F78.1Confident71.2Confident57 Ų5779.9 Ų79.925%0.2543%0.431CS..  trans-136.1154.3168.367-82.3000109.4F15 N17 F84 V142 F161 M165F15-F163 AromaticContact CD1-CD2 3.97Å; F15-F163 HydrophobicContact CD1-CD2 3.97Å; F15-F163 AromaticContact CD1-CE2 3.78Å; F15-F163 HydrophobicContact CD1-CE2 3.78Å; F15-F163 HydrophobicContact CE1-CE2 4.01Å; N17-F163 HydrophobicContact CB-CB 4.44Å; F84-F163 HydrophobicContact CE1-CB 4.03Å; F84-F163 HydrophobicContact CZ-CB 3.94Å; V142-F163 HydrophobicContact CB-CZ 4.41Å; V142-F163 HydrophobicContact CG1-CE1 4.35Å; V142-F163 HydrophobicContact CG1-CZ 3.93Å; V142-F163 HydrophobicContact CG2-CZ 4.14Å; F161-F163 HydrophobicContact CD1-CB 4.43Å; F161-F163 AromaticContact CD1-CD1 3.53Å; F161-F163 HydrophobicContact CD1-CD1 3.53Å; F161-F163 HydrophobicContact CD1-CE1 4.26Å; F161-F163 HydrophobicContact CD1-CG 4.38Å; F161-F163 HydrophobicContact CE1-CB 3.8Å; F161-F163 AromaticContact CE1-CD1 3.55Å; F161-F163 HydrophobicContact CE1-CD1 3.55Å; F161-F163 HydrophobicContact CE1-CE1 4.47Å; F161-F163 AromaticContact CE1-CG 3.97Å; F161-F163 HydrophobicContact CE1-CG 3.97Å; F161-F163 HydrophobicContact CZ-CB 4.4Å; F163-M165 HydrophobicContact CE2-CB 4.15Å
164T84.2Confident73.1Confident90 Ų9075 Ų7555%0.55241%0.405SS*.EExtended strand (participates in β ladder)trans-100.6118.7178.4-59.90000109.4L16L16-T164 PolarHBondContact N-O 3.27Å; L16-T164 WeakPolarHBondContact O-CB 3.46Å; L16-T164 PolarHBondContact O-N 3.25Å
165M86.1Confident74.8Confident47 Ų4772.4 Ų72.423%0.23239%0.389CS..EExtended strand (participates in β ladder)trans-98.6119.9170.6-177.1-175.367.800109.6F1 M13 R14 F15 V140 F163 V167F1-M165 HydrophobicContact CE2-CE 3.57Å; F1-M165 HydrophobicContact CZ-CE 3.67Å; M13-M165 HydrophobicContact CE-SD 4.44Å; M13-M165 HydrophobicContact CG-CG 4.05Å; M13-M165 HydrophobicContact CG-SD 3.92Å; M13-M165 HydrophobicContact SD-SD 3.9Å; R14-M165 CarbonylContact O-C 3.59Å; R14-M165 WeakPolarHBondContact O-CA 3.48Å; F15-M165 HydrophobicContact CD1-CB 4.11Å; F15-M165 HydrophobicContact CD1-CG 4Å; F15-M165 HydrophobicContact CE1-CB 4.15Å; F15-M165 HydrophobicContact CE1-CG 3.7Å; F15-M165 HydrophobicContact CE1-SD 3.83Å; F15-M165 HydrophobicContact CZ-CG 4.43Å; F15-M165 HydrophobicContact CZ-SD 4.34Å; V140-M165 HydrophobicContact CB-CE 4.05Å; V140-M165 HydrophobicContact CB-SD 4.32Å; V140-M165 HydrophobicContact CG1-CE 4.25Å; V140-M165 HydrophobicContact CG1-SD 3.89Å; V140-M165 HydrophobicContact CG2-CE 4.03Å; V140-M165 HydrophobicContact CG2-SD 4.31Å; F163-M165 HydrophobicContact CE2-CB 4.15Å; M165-V167 HydrophobicContact CE-CG2 3.85Å; M165-V167 HydrophobicContact CG-CG2 4.38Å; M165-V167 HydrophobicContact SD-CG2 4.38Å
166K87.9Confident76.5Confident71 Ų7169.1 Ų69.131%0.30937%0.373SS..EExtended strand (participates in β ladder)trans-99.3121.7173.4-165.3-178.5-175.6-1620109.6R14 L16 E168R14-K166 PolarHBondContact N-O 3.49Å; R14-K166 PolarHBondContact O-N 3.47Å; L16-K166 HydrophobicContact CD1-CB 4.12Å; L16-K166 HydrophobicContact CD1-CD 4.41Å; K166-E168 HydrophobicContact CD-CG 4.18Å; K166-E168 WeakPolarHBondContact CD-OE1 3.44Å; K166-E168 WeakPolarHBondContact CE-OE1 3.32Å; K166-E168 HydrophobicContact CG-CG 4.18Å; K166-E168 IonicContact NZ-OE1 2.87Å; K166-E168 PolarHBondContact NZ-OE1 2.97Å
167V89.1Confident78.4Confident30 Ų3064.2 Ų64.218%0.18234%0.338CS..EExtended strand (participates in β ladder)trans-105.7117.9173.9-179.70000108.4F1 I11 F12 F138 M165 M169F1-V167 HydrophobicContact CD1-CB 4.43Å; F1-V167 HydrophobicContact CD2-CG2 4.17Å; F1-V167 HydrophobicContact CE1-CB 4.32Å; F1-V167 HydrophobicContact CE1-CG2 4.15Å; F1-V167 HydrophobicContact CE2-CG2 3.76Å; F1-V167 HydrophobicContact CZ-CB 4.41Å; F1-V167 HydrophobicContact CZ-CG2 3.75Å; I11-V167 HydrophobicContact CG2-CG1 3.98Å; F12-V167 WeakPolarHBondContact O-CA 3.43Å; F138-V167 HydrophobicContact CD1-CG1 4.02Å; F138-V167 HydrophobicContact CE1-CG1 4.03Å; F138-V167 HydrophobicContact CE1-CG2 4.25Å; M165-V167 HydrophobicContact CE-CG2 3.85Å; M165-V167 HydrophobicContact CG-CG2 4.38Å; M165-V167 HydrophobicContact SD-CG2 4.38Å; V167-M169 HydrophobicContact CG1-CE 4.11Å; V167-M169 HydrophobicContact CG1-CG 4.44Å
168E89.3Confident80.3Confident18 Ų1857.2 Ų57.28%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-110.9123.3179.4-64.3178.1176.100108.6F12 R14 K166 Y175F12-E168 HydrophobicContact CB-CB 4.18Å; F12-E168 HydrophobicContact CD2-CB 4.45Å; F12-E168 PolarHBondContact N-O 3.35Å; F12-E168 PolarHBondContact O-N 3.06Å; R14-E168 IonicContact CZ-OE2 2.71Å; R14-E168 IonicContact NE-OE2 2.89Å; R14-E168 IonicContact NH1-OE1 3.28Å; R14-E168 IonicContact NH1-OE2 3.86Å; R14-E168 PolarHBondContact NH1-OE2 3.31Å; R14-E168 IonicContact NH2-OE2 2.7Å; K166-E168 HydrophobicContact CD-CG 4.18Å; K166-E168 WeakPolarHBondContact CD-OE1 3.44Å; K166-E168 WeakPolarHBondContact CE-OE1 3.32Å; K166-E168 HydrophobicContact CG-CG 4.18Å; K166-E168 IonicContact NZ-OE1 2.87Å; K166-E168 PolarHBondContact NZ-OE1 2.97Å; E168-Y175 HydrophobicContact CB-CE1 4.17Å
169M90.2Very high81.9Confident16 Ų1650.3 Ų50.38%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-111.6103.2177-62.6175.8176.200108.2F1 K3 L5 T9 I11 F138 V167F1-M169 HydrophobicContact CB-CE 4.04Å; K3-M169 HydrophobicContact CB-SD 3.88Å; K3-M169 HydrophobicContact CD-CB 4.4Å; K3-M169 HydrophobicContact CD-SD 3.9Å; L5-M169 HydrophobicContact CD1-SD 4.33Å; L5-M169 HydrophobicContact CD2-CB 3.99Å; L5-M169 HydrophobicContact CD2-CG 4.44Å; L5-M169 HydrophobicContact CD2-SD 3.87Å; T9-M169 HydrophobicContact CG2-CB 4.36Å; I11-M169 HydrophobicContact CD1-CE 4.42Å; I11-M169 HydrophobicContact CG1-CG 4.22Å; I11-M169 HydrophobicContact CG2-CE 4.49Å; I11-M169 HydrophobicContact CG2-CG 4.25Å; F138-M169 HydrophobicContact CB-CE 3.85Å; F138-M169 HydrophobicContact CD1-CE 4.36Å; F138-M169 HydrophobicContact CG-CE 4.38Å; V167-M169 HydrophobicContact CG1-CE 4.11Å; V167-M169 HydrophobicContact CG1-CG 4.44Å
170K89.4Confident83.4Confident85 Ų8549.1 Ų49.137%0.3727%0.271SS..EExtended strand (participates in β ladder)trans-111.7115.4-174.9-167-1801791790110.7T9 T10 F12 D174 Y175T9-K170 WeakPolarHBondContact CA-O 3.18Å; T9-K170 WeakPolarHBondContact CG2-O 3.3Å; T10-K170 PolarHBondContact N-O 3.49Å; T10-K170 PolarHBondContact O-N 3.47Å; T10-K170 PolarHBondContact OG1-O 3.18Å; F12-K170 HydrophobicContact CE2-CB 4Å; K170-D174 CarbonylContact C-O 3.57Å; K170-D174 WeakPolarHBondContact CA-O 3.31Å; K170-D174 WeakPolarHBondContact CE-OD1 3.39Å; K170-D174 IonicContact NZ-OD1 3.47Å; K170-Y175 HydrophobicContact CB-CE1 4.24Å
171G86.8Confident84.8Confident13 Ų1345.1 Ų45.113%0.13425%0.245CC..BIsolated β-bridgetrans-100.1-171.5176.300000113.3T9 H173 D174T9-G171 WeakPolarHBondContact OG1-CA 3.47Å; G171-H173 PolarHBondContact O-N 2.97Å; G171-D174 PolarHBondContact N-O 2.99Å; G171-D174 PolarHBondContact O-N 3.37Å
172P84.4Confident85.9Confident87 Ų8744.8 Ų44.857%0.56525%0.248SC*.THydrogen-bonded Turntrans-58.4-27.1173.4-2333.6000113.3
173H83.8Confident86.6Confident67 Ų6741.4 Ų41.431%0.3122%0.218SC..THydrogen-bonded Turntrans-105.641.9178.2-65.1-55000112Y6 G171 Y175 S176 W181Y6-H173 HydrophobicContact CE2-CB 4.24Å; Y6-H173 AromaticContact CE2-CD2 3.72Å; Y6-H173 AromaticContact CZ-CD2 3.65Å; G171-H173 PolarHBondContact O-N 2.97Å; H173-Y175 PolarHBondContact O-N 3.26Å; H173-S176 WeakPolarHBondContact O-CB 3.47Å; H173-S176 PolarHBondContact O-N 3.22Å; H173-S176 VanDerWaalsContact O-N 3.17Å; H173-W181 HydrophobicContact CB-CE3 4.05Å; H173-W181 HydrophobicContact CB-CH2 4.06Å; H173-W181 HydrophobicContact CB-CZ3 3.6Å; H173-W181 AromaticContact CG-CH2 3.8Å; H173-W181 AromaticContact CG-CZ3 3.82Å; H173-W181 AromaticContact ND1-CH2 3.51Å; H173-W181 AromaticContact ND1-CZ2 3.9Å; H173-W181 AromaticContact ND1-CZ3 4Å
174D87.7Confident87.1Confident50 Ų5039.5 Ų39.527%0.26721%0.21SC..BIsolated β-bridgetrans55.3-123.6-175.7-61.8-57.5000111.8K170 G171 S176 R241K170-D174 CarbonylContact C-O 3.57Å; K170-D174 WeakPolarHBondContact CA-O 3.31Å; K170-D174 WeakPolarHBondContact CE-OD1 3.39Å; K170-D174 IonicContact NZ-OD1 3.47Å; G171-D174 PolarHBondContact N-O 2.99Å; G171-D174 PolarHBondContact O-N 3.37Å; D174-S176 VanDerWaalsContact C-N 3.34Å; D174-R241 WeakPolarHBondContact CB-O 3.37Å
175Y86.5Confident87.5Confident45 Ų4539.2 Ų39.218%0.17620%0.204CC..THydrogen-bonded Turntrans-91.86-177.7-60.8-75.7000113.3K3 E168 K170 H173 I240 R241K3-Y175 PolarHBondContact NZ-O 3.44Å; E168-Y175 HydrophobicContact CB-CE1 4.17Å; K170-Y175 HydrophobicContact CB-CE1 4.24Å; H173-Y175 PolarHBondContact O-N 3.26Å; Y175-I240 VanDerWaalsContact CB-O 3.32Å; Y175-I240 WeakPolarHBondContact CB-O 3.36Å; Y175-R241 PolarHBondContact N-O 3Å
176S86.3Confident87.8Confident12 Ų1238.2 Ų38.28%0.08420%0.199CC..  trans-76.2145.1-177.1-164.50000112.9H173 D174H173-S176 WeakPolarHBondContact O-CB 3.47Å; H173-S176 PolarHBondContact O-N 3.22Å; H173-S176 VanDerWaalsContact O-N 3.17Å; D174-S176 VanDerWaalsContact C-N 3.34Å
177S86.8Confident87.9Confident2 Ų234.8 Ų34.81%0.01418%0.184CC..  trans-92.3146.1176.9163.40000111.1T4 A179 D180 W181T4-S177 PolarHBondContact O-OG 3.42Å; T4-S177 PolarHBondContact OG1-OG 3.23Å; S177-A179 PolarHBondContact O-N 2.9Å; S177-A179 PolarHBondContact OG-N 2.85Å; S177-D180 VanDerWaalsContact CB-OD2 3.29Å; S177-D180 WeakPolarHBondContact CB-OD2 3.49Å; S177-D180 PolarHBondContact O-N 3.32Å; S177-D180 VanDerWaalsContact O-N 3.13Å; S177-W181 PolarHBondContact O-N 3.29Å
178P85.9Confident88.1Confident12 Ų1238 Ų388%0.07820%0.198CC..THydrogen-bonded Turntrans-57.1-28.3172.6-19.829.3000114.8T4 L5 Y6 P182 W394T4-P178 WeakPolarHBondContact O-CD 3.37Å; L5-P178 VanDerWaalsContact C-CG 3.47Å; Y6-P178 HydrophobicContact CD1-CB 4.17Å; Y6-P178 HydrophobicContact CD1-CG 3.7Å; Y6-P178 HydrophobicContact CD2-CG 3.7Å; Y6-P178 HydrophobicContact CE1-CB 3.75Å; Y6-P178 HydrophobicContact CE1-CG 3.74Å; Y6-P178 HydrophobicContact CE2-CB 4.21Å; Y6-P178 HydrophobicContact CE2-CG 3.74Å; Y6-P178 HydrophobicContact CG-CG 3.69Å; Y6-P178 VanDerWaalsContact CZ-CA 3.47Å; Y6-P178 WeakPolarHBondContact OH-CA 3.31Å; P178-P182 WeakPolarHBondContact O-CD 3.24Å; P178-W394 HydrophobicContact CB-CH2 3.86Å; P178-W394 HydrophobicContact CB-CZ3 3.74Å; P178-W394 HydrophobicContact CG-CH2 4.49Å
179A84.3Confident88.3Confident14 Ų1440.7 Ų40.712%0.11622%0.216CC..THydrogen-bonded Turntrans-78.6-30.8178.300000112.5S177S177-A179 PolarHBondContact O-N 2.9Å; S177-A179 PolarHBondContact OG-N 2.85Å
180D85.9Confident88.4Confident56 Ų5640.9 Ų40.930%0.29922%0.217SC..THydrogen-bonded Turntrans-90.5-20.3-175.5-60.3-35.3000112.5S177 L183 M184 Y237S177-D180 VanDerWaalsContact CB-OD2 3.29Å; S177-D180 WeakPolarHBondContact CB-OD2 3.49Å; S177-D180 PolarHBondContact O-N 3.32Å; S177-D180 VanDerWaalsContact O-N 3.13Å; D180-L183 WeakPolarHBondContact O-CB 3.4Å; D180-L183 PolarHBondContact O-N 3.47Å; D180-M184 PolarHBondContact O-N 3.34Å; D180-M184 VanDerWaalsContact O-N 3.1Å; D180-Y237 HydrophobicContact CB-CD1 4.41Å; D180-Y237 HydrophobicContact CB-CE1 4.1Å
181W87.7Confident88.6Confident52 Ų5238.3 Ų38.320%0.19721%0.209CC..Hα-helixtrans-61.3-48.4-175.6-177-92.4000114.5Y6 H173 S177 L183 M184 I185Y6-W181 WeakPolarHBondContact OH-CB 3.29Å; H173-W181 HydrophobicContact CB-CE3 4.05Å; H173-W181 HydrophobicContact CB-CH2 4.06Å; H173-W181 HydrophobicContact CB-CZ3 3.6Å; H173-W181 AromaticContact CG-CH2 3.8Å; H173-W181 AromaticContact CG-CZ3 3.82Å; H173-W181 AromaticContact ND1-CH2 3.51Å; H173-W181 AromaticContact ND1-CZ2 3.9Å; H173-W181 AromaticContact ND1-CZ3 4Å; S177-W181 PolarHBondContact O-N 3.29Å; W181-L183 PolarHBondContact O-N 2.95Å; W181-M184 HydrophobicContact CD2-CE 4.12Å; W181-M184 HydrophobicContact CE3-CE 3.82Å; W181-M184 HydrophobicContact CH2-CE 4.16Å; W181-M184 HydrophobicContact CZ2-CE 4.39Å; W181-M184 HydrophobicContact CZ3-CE 3.84Å; W181-M184 PolarHBondContact O-N 2.97Å; W181-I185 PolarHBondContact O-N 2.93Å
182P90.9Very high89Confident36 Ų3641.9 Ų41.923%0.23422%0.224CC..Hα-helixtrans-62.2-33.3176.4-21.134000112.3P178 I185 F186 W398P178-P182 WeakPolarHBondContact O-CD 3.24Å; P182-I185 PolarHBondContact O-N 3.35Å; P182-F186 WeakPolarHBondContact O-CB 3.34Å; P182-F186 PolarHBondContact O-N 3.27Å; P182-W398 HydrophobicContact CB-CD2 3.8Å; P182-W398 HydrophobicContact CB-CE3 4.39Å; P182-W398 HydrophobicContact CB-CG 4.03Å; P182-W398 HydrophobicContact CB-CZ2 4.06Å; P182-W398 HydrophobicContact CG-CG 4.46Å
183L87.1Confident89.4Confident9 Ų939.8 Ų39.85%0.04721%0.21CC..Hα-helixtrans-68.3-39-178.2-171.760.4000111.6D180 W181 I185 F186 F187 Y237 W398D180-L183 WeakPolarHBondContact O-CB 3.4Å; D180-L183 PolarHBondContact O-N 3.47Å; W181-L183 PolarHBondContact O-N 2.95Å; L183-I185 VanDerWaalsContact C-N 3.35Å; L183-I185 PolarHBondContact O-N 3.42Å; L183-F186 HydrophobicContact CD1-CD1 4.2Å; L183-F186 WeakPolarHBondContact O-CB 3.26Å; L183-F186 PolarHBondContact O-N 3.37Å; L183-F187 HydrophobicContact CD1-CD2 4.21Å; L183-F187 HydrophobicContact CD1-CE2 3.59Å; L183-F187 HydrophobicContact CD1-CZ 4.15Å; L183-F187 HydrophobicContact CD2-CE2 4.1Å; L183-F187 HydrophobicContact CG-CD2 3.97Å; L183-F187 HydrophobicContact CG-CE2 3.49Å; L183-F187 VanDerWaalsContact CG-CE2 3.49Å; L183-F187 HydrophobicContact CG-CZ 4.45Å; L183-F187 WeakPolarHBondContact O-CD2 3.38Å; L183-F187 PolarHBondContact O-N 3.15Å; L183-Y237 HydrophobicContact CD2-CE1 4.26Å; L183-Y237 HydrophobicContact CD2-CE2 4.36Å; L183-Y237 WeakPolarHBondContact CD2-OH 3.27Å; L183-Y237 HydrophobicContact CG-CE2 4.41Å; L183-W398 HydrophobicContact CB-CB 4.2Å
184M89.1Confident89.9Confident17 Ų1736.7 Ų36.78%0.08420%0.195CC..Hα-helixtrans-57.9-45.6171.4-179-173.767.700111.9D180 W181 F187 M188 Y237D180-M184 PolarHBondContact O-N 3.34Å; D180-M184 VanDerWaalsContact O-N 3.1Å; W181-M184 HydrophobicContact CD2-CE 4.12Å; W181-M184 HydrophobicContact CE3-CE 3.82Å; W181-M184 HydrophobicContact CH2-CE 4.16Å; W181-M184 HydrophobicContact CZ2-CE 4.39Å; W181-M184 HydrophobicContact CZ3-CE 3.84Å; W181-M184 PolarHBondContact O-N 2.97Å; M184-F187 PolarHBondContact O-N 3.47Å; M184-M188 PolarHBondContact O-N 2.91Å; M184-M188 VanDerWaalsContact O-N 3.13Å; M184-Y237 HydrophobicContact CB-CG 4.27Å
185I91.6Very high90.2Very high84 Ų8438 Ų3843%0.43121%0.205SC..Hα-helixtrans-64.3-43.2177.9-62.6168.2000110.3W181 P182 L183 F187 M188 V189W181-I185 PolarHBondContact O-N 2.93Å; P182-I185 PolarHBondContact O-N 3.35Å; L183-I185 VanDerWaalsContact C-N 3.35Å; L183-I185 PolarHBondContact O-N 3.42Å; I185-F187 VanDerWaalsContact C-N 3.35Å; I185-F187 PolarHBondContact O-N 2.98Å; I185-M188 WeakPolarHBondContact O-CB 3.42Å; I185-M188 PolarHBondContact O-N 3.23Å; I185-V189 HydrophobicContact CG2-CG2 4.42Å; I185-V189 WeakPolarHBondContact O-CG2 3.49Å; I185-V189 PolarHBondContact O-N 3.03Å
186F92.8Very high90.6Very high26 Ų2640.6 Ų40.611%0.11422%0.221CC..Hα-helixtrans-57.4-45.3176172.2-96.6000112.2P182 L183 M188 V189 M190 A402 R405 L406P182-F186 WeakPolarHBondContact O-CB 3.34Å; P182-F186 PolarHBondContact O-N 3.27Å; L183-F186 HydrophobicContact CD1-CD1 4.2Å; L183-F186 WeakPolarHBondContact O-CB 3.26Å; L183-F186 PolarHBondContact O-N 3.37Å; F186-M188 VanDerWaalsContact C-N 3.34Å; F186-M188 PolarHBondContact O-N 3.1Å; F186-V189 PolarHBondContact O-N 3.44Å; F186-M190 HydrophobicContact CD1-CG 4.33Å; F186-M190 HydrophobicContact CD2-CE 4.21Å; F186-M190 HydrophobicContact CD2-CG 4.19Å; F186-M190 HydrophobicContact CE1-CG 3.95Å; F186-M190 HydrophobicContact CE2-CE 3.31Å; F186-M190 HydrophobicContact CE2-CG 3.81Å; F186-M190 HydrophobicContact CE2-SD 4.4Å; F186-M190 HydrophobicContact CG-CG 4.44Å; F186-M190 HydrophobicContact CZ-CE 3.67Å; F186-M190 HydrophobicContact CZ-CG 3.68Å; F186-M190 HydrophobicContact CZ-SD 4.38Å; F186-M190 WeakPolarHBondContact O-CB 3.3Å; F186-M190 VanDerWaalsContact O-CG 3.29Å; F186-M190 WeakPolarHBondContact O-CG 3.33Å; F186-M190 PolarHBondContact O-N 2.95Å; F186-A402 HydrophobicContact CD1-CB 4.11Å; F186-A402 HydrophobicContact CD2-CB 3.94Å; F186-A402 HydrophobicContact CE1-CB 3.92Å; F186-A402 HydrophobicContact CE2-CB 3.72Å; F186-A402 HydrophobicContact CG-CB 4.11Å; F186-A402 HydrophobicContact CZ-CB 3.72Å; F186-A402 VanDerWaalsContact CZ-O 3.3Å; F186-A402 WeakPolarHBondContact CZ-O 2.97Å; F186-R405 HydrophobicContact CE1-CB 4.13Å; F186-R405 HydrophobicContact CZ-CB 4.14Å; F186-L406 HydrophobicContact CE2-CB 4.47Å; F186-L406 HydrophobicContact CZ-CB 4.44Å
187F91.4Very high90.9Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-63.4-38.9176.9-78.6-62.6000113.1L183 M184 I185 C191 K230 F233 Y237L183-F187 HydrophobicContact CD1-CD2 4.21Å; L183-F187 HydrophobicContact CD1-CE2 3.59Å; L183-F187 HydrophobicContact CD1-CZ 4.15Å; L183-F187 HydrophobicContact CD2-CE2 4.1Å; L183-F187 HydrophobicContact CG-CD2 3.97Å; L183-F187 HydrophobicContact CG-CE2 3.49Å; L183-F187 VanDerWaalsContact CG-CE2 3.49Å; L183-F187 HydrophobicContact CG-CZ 4.45Å; L183-F187 WeakPolarHBondContact O-CD2 3.38Å; L183-F187 PolarHBondContact O-N 3.15Å; M184-F187 PolarHBondContact O-N 3.47Å; I185-F187 VanDerWaalsContact C-N 3.35Å; I185-F187 PolarHBondContact O-N 2.98Å; F187-C191 VanDerWaalsContact O-CB 3.3Å; F187-C191 WeakPolarHBondContact O-CB 3.38Å; F187-C191 PolarHBondContact O-N 3.19Å; F187-K230 HydrophobicContact CD1-CD 3.78Å; F187-K230 HydrophobicContact CE1-CD 4.08Å; F187-F233 HydrophobicContact CD1-CB 3.85Å; F187-F233 HydrophobicContact CD1-CG 4.47Å; F187-F233 HydrophobicContact CD2-CB 4.33Å; F187-F233 HydrophobicContact CE1-CB 3.89Å; F187-F233 HydrophobicContact CE1-CD2 4.02Å; F187-F233 HydrophobicContact CE1-CG 4.02Å; F187-F233 HydrophobicContact CE2-CB 4.34Å; F187-F233 HydrophobicContact CG-CB 4.12Å; F187-F233 HydrophobicContact CZ-CB 4.16Å; F187-F233 HydrophobicContact CZ-CD2 4.42Å; F187-F233 HydrophobicContact CZ-CG 4.14Å; F187-Y237 AromaticContact CD2-CD2 3.72Å; F187-Y237 HydrophobicContact CD2-CD2 3.72Å; F187-Y237 AromaticContact CD2-CE2 3.54Å; F187-Y237 HydrophobicContact CD2-CE2 3.54Å; F187-Y237 HydrophobicContact CE2-CD2 4.04Å; F187-Y237 AromaticContact CE2-CE2 3.36Å; F187-Y237 HydrophobicContact CE2-CE2 3.36Å; F187-Y237 HydrophobicContact CZ-CE2 4.43Å
188M92Very high91.2Very high96 Ų9641.2 Ų41.247%0.47322%0.224SC..Hα-helixtrans-61.8-51.7175.1-176.4-159.9167.600111.3M184 I185 F186 M190 C191 I192 Y234M184-M188 PolarHBondContact O-N 2.91Å; M184-M188 VanDerWaalsContact O-N 3.13Å; I185-M188 WeakPolarHBondContact O-CB 3.42Å; I185-M188 PolarHBondContact O-N 3.23Å; F186-M188 VanDerWaalsContact C-N 3.34Å; F186-M188 PolarHBondContact O-N 3.1Å; M188-M190 VanDerWaalsContact C-N 3.35Å; M188-M190 PolarHBondContact O-N 3.5Å; M188-C191 WeakPolarHBondContact O-CB 3.31Å; M188-C191 PolarHBondContact O-N 3.3Å; M188-I192 HydrophobicContact CE-CD1 4.19Å; M188-I192 PolarHBondContact O-N 3.02Å; M188-Y234 HydrophobicContact CB-CD2 4.02Å; M188-Y234 HydrophobicContact CB-CE2 3.95Å; M188-Y234 HydrophobicContact CG-CE2 4.24Å
189V94.3Very high91.6Very high76 Ų7643.3 Ų43.346%0.46124%0.242SC..Hα-helixtrans-61.1-45.4-180173.90000110.6I185 F186 C191 I192 V193I185-V189 HydrophobicContact CG2-CG2 4.42Å; I185-V189 WeakPolarHBondContact O-CG2 3.49Å; I185-V189 PolarHBondContact O-N 3.03Å; F186-V189 PolarHBondContact O-N 3.44Å; V189-C191 VanDerWaalsContact C-N 3.32Å; V189-C191 PolarHBondContact O-N 3.22Å; V189-I192 PolarHBondContact O-N 3.06Å; V189-V193 WeakPolarHBondContact O-CG2 3.31Å; V189-V193 PolarHBondContact O-N 3.04Å
190M91.5Very high91.9Very high20 Ų2046.8 Ų46.810%0.09926%0.258CS..Hα-helixtrans-63-38.1177.3-73.8-65.1174.600112.2F186 M188 I192 V193 Y194 K230 L406F186-M190 HydrophobicContact CD1-CG 4.33Å; F186-M190 HydrophobicContact CD2-CE 4.21Å; F186-M190 HydrophobicContact CD2-CG 4.19Å; F186-M190 HydrophobicContact CE1-CG 3.95Å; F186-M190 HydrophobicContact CE2-CE 3.31Å; F186-M190 HydrophobicContact CE2-CG 3.81Å; F186-M190 HydrophobicContact CE2-SD 4.4Å; F186-M190 HydrophobicContact CG-CG 4.44Å; F186-M190 HydrophobicContact CZ-CE 3.67Å; F186-M190 HydrophobicContact CZ-CG 3.68Å; F186-M190 HydrophobicContact CZ-SD 4.38Å; F186-M190 WeakPolarHBondContact O-CB 3.3Å; F186-M190 VanDerWaalsContact O-CG 3.29Å; F186-M190 WeakPolarHBondContact O-CG 3.33Å; F186-M190 PolarHBondContact O-N 2.95Å; M188-M190 VanDerWaalsContact C-N 3.35Å; M188-M190 PolarHBondContact O-N 3.5Å; M190-I192 VanDerWaalsContact C-N 3.32Å; M190-I192 PolarHBondContact O-N 3.33Å; M190-V193 PolarHBondContact O-N 3.32Å; M190-Y194 VanDerWaalsContact O-CD2 3.3Å; M190-Y194 WeakPolarHBondContact O-CD2 3.49Å; M190-Y194 PolarHBondContact O-N 3.33Å; M190-K230 HydrophobicContact CB-CD 4.3Å; M190-K230 HydrophobicContact CB-CG 4.5Å; M190-L406 HydrophobicContact CE-CB 3.91Å; M190-L406 HydrophobicContact CE-CD1 3.73Å; M190-L406 HydrophobicContact CE-CG 3.83Å
191C93.8Very high92.2Very high30 Ų3044.4 Ų44.420%0.20325%0.245CC..Hα-helixtrans-57.4-46.4174.7-169.80000111.3F187 M188 V189 V193 Y194 V195 K230F187-C191 VanDerWaalsContact O-CB 3.3Å; F187-C191 WeakPolarHBondContact O-CB 3.38Å; F187-C191 PolarHBondContact O-N 3.19Å; M188-C191 WeakPolarHBondContact O-CB 3.31Å; M188-C191 PolarHBondContact O-N 3.3Å; V189-C191 VanDerWaalsContact C-N 3.32Å; V189-C191 PolarHBondContact O-N 3.22Å; C191-V193 PolarHBondContact O-N 3.35Å; C191-Y194 PolarHBondContact O-N 3.41Å; C191-V195 WeakPolarHBondContact O-CG2 3.34Å; C191-V195 PolarHBondContact O-N 2.7Å; C191-K230 HydrophobicContact CB-CB 4.03Å
192I94.3Very high92.3Very high89 Ų8947 Ų4746%0.45626%0.262SS..Hα-helixtrans-60.9-45.5176.4-62.7167.1000110.9M188 V189 M190 Y194 V195 L196M188-I192 HydrophobicContact CE-CD1 4.19Å; M188-I192 PolarHBondContact O-N 3.02Å; V189-I192 PolarHBondContact O-N 3.06Å; M190-I192 VanDerWaalsContact C-N 3.32Å; M190-I192 PolarHBondContact O-N 3.33Å; I192-Y194 VanDerWaalsContact C-N 3.31Å; I192-Y194 PolarHBondContact O-N 3.45Å; I192-V195 WeakPolarHBondContact O-CB 3.26Å; I192-V195 PolarHBondContact O-N 2.96Å; I192-L196 HydrophobicContact CG2-CD1 4.49Å; I192-L196 WeakPolarHBondContact O-CG 3.42Å; I192-L196 PolarHBondContact O-N 3.46Å
193V94.4Very high92.3Very high43 Ų4351.4 Ų51.426%0.26128%0.278SS..Hα-helixtrans-58.8-42.7177172.50000111.3V189 M190 C191 L196 F197V189-V193 WeakPolarHBondContact O-CG2 3.31Å; V189-V193 PolarHBondContact O-N 3.04Å; M190-V193 PolarHBondContact O-N 3.32Å; C191-V193 PolarHBondContact O-N 3.35Å; V193-L196 WeakPolarHBondContact O-CB 3.46Å; V193-L196 PolarHBondContact O-N 3.11Å; V193-F197 HydrophobicContact CG1-CD1 4.29Å; V193-F197 HydrophobicContact CG1-CD2 4.41Å; V193-F197 HydrophobicContact CG1-CE1 3.71Å; V193-F197 HydrophobicContact CG1-CE2 3.88Å; V193-F197 HydrophobicContact CG1-CZ 3.48Å; V193-F197 VanDerWaalsContact CG1-CZ 3.48Å; V193-F197 WeakPolarHBondContact O-CD1 3.27Å; V193-F197 WeakPolarHBondContact O-CG 3.41Å; V193-F197 PolarHBondContact O-N 3.47Å
194Y93.3Very high92.3Very high1 Ų152.6 Ų52.60%0.00428%0.282CS..Hα-helixtrans-68.3-34.3177.3-91-93.3000112.9M190 C191 I192 L196 F197 G198 K230 F408 L412M190-Y194 VanDerWaalsContact O-CD2 3.3Å; M190-Y194 WeakPolarHBondContact O-CD2 3.49Å; M190-Y194 PolarHBondContact O-N 3.33Å; C191-Y194 PolarHBondContact O-N 3.41Å; I192-Y194 VanDerWaalsContact C-N 3.31Å; I192-Y194 PolarHBondContact O-N 3.45Å; Y194-L196 VanDerWaalsContact C-N 3.33Å; Y194-F197 PolarHBondContact O-N 3.34Å; Y194-G198 PolarHBondContact O-N 3.28Å; Y194-K230 HydrophobicContact CD2-CG 4.28Å; Y194-F408 WeakPolarHBondContact OH-CD1 3.17Å; Y194-L412 HydrophobicContact CE1-CD1 4.45Å
195V94.5Very high92.1Very high79 Ų7952.6 Ų52.648%0.47928%0.284SS..Hα-helixtrans-62.7-42.2171.2170.10000110.6C191 I192 G198 A199 M227C191-V195 WeakPolarHBondContact O-CG2 3.34Å; C191-V195 PolarHBondContact O-N 2.7Å; I192-V195 WeakPolarHBondContact O-CB 3.26Å; I192-V195 PolarHBondContact O-N 2.96Å; V195-G198 PolarHBondContact O-N 3.03Å; V195-A199 WeakPolarHBondContact O-CB 3.32Å; V195-A199 PolarHBondContact O-N 3.38Å; V195-M227 HydrophobicContact CG2-SD 4.34Å
196L94.3Very high92Very high99 Ų9954 Ų5452%0.51830%0.295SS..Hα-helixtrans-63.6-42.7174.6-66.5174.5000111.8I192 V193 Y194 G198 A199 L200I192-L196 HydrophobicContact CG2-CD1 4.49Å; I192-L196 WeakPolarHBondContact O-CG 3.42Å; I192-L196 PolarHBondContact O-N 3.46Å; V193-L196 WeakPolarHBondContact O-CB 3.46Å; V193-L196 PolarHBondContact O-N 3.11Å; Y194-L196 VanDerWaalsContact C-N 3.33Å; L196-G198 VanDerWaalsContact C-N 3.35Å; L196-G198 PolarHBondContact O-N 3.02Å; L196-A199 PolarHBondContact O-N 3.41Å; L196-L200 WeakPolarHBondContact O-CB 3.48Å; L196-L200 VanDerWaalsContact O-CG 3.26Å; L196-L200 WeakPolarHBondContact O-CG 3.33Å; L196-L200 PolarHBondContact O-N 3.46Å
197F93.2Very high91.7Very high21 Ų2156.2 Ų56.29%0.09231%0.313CS..Hα-helixtrans-60.9-44.4174.7-68.7-4000111.6V193 Y194 W201 I223 L412 L413V193-F197 HydrophobicContact CG1-CD1 4.29Å; V193-F197 HydrophobicContact CG1-CD2 4.41Å; V193-F197 HydrophobicContact CG1-CE1 3.71Å; V193-F197 HydrophobicContact CG1-CE2 3.88Å; V193-F197 HydrophobicContact CG1-CZ 3.48Å; V193-F197 VanDerWaalsContact CG1-CZ 3.48Å; V193-F197 WeakPolarHBondContact O-CD1 3.27Å; V193-F197 WeakPolarHBondContact O-CG 3.41Å; V193-F197 PolarHBondContact O-N 3.47Å; Y194-F197 PolarHBondContact O-N 3.34Å; F197-W201 WeakPolarHBondContact O-CB 3.33Å; F197-W201 PolarHBondContact O-N 2.99Å; F197-I223 HydrophobicContact CB-CG2 4.49Å; F197-L412 HydrophobicContact CD2-CD2 4.1Å; F197-L413 HydrophobicContact CD1-CD1 4.21Å; F197-L413 HydrophobicContact CE1-CB 4.5Å; F197-L413 HydrophobicContact CE1-CD1 3.64Å; F197-L413 HydrophobicContact CE1-CD2 4.33Å; F197-L413 HydrophobicContact CE1-CG 4.37Å; F197-L413 HydrophobicContact CE2-CB 4.07Å; F197-L413 HydrophobicContact CZ-CB 3.82Å; F197-L413 HydrophobicContact CZ-CD1 3.84Å; F197-L413 HydrophobicContact CZ-CD2 4.04Å; F197-L413 HydrophobicContact CZ-CG 4.11Å
198G92.8Very high91.1Very high6 Ų659.2 Ų59.26%0.06233%0.325CS..Hα-helixtrans-59.7-48.4175.100000112.2Y194 V195 L196 W201 L202Y194-G198 PolarHBondContact O-N 3.28Å; V195-G198 PolarHBondContact O-N 3.03Å; L196-G198 VanDerWaalsContact C-N 3.35Å; L196-G198 PolarHBondContact O-N 3.02Å; G198-W201 PolarHBondContact O-N 2.91Å; G198-L202 VanDerWaalsContact O-CB 3.32Å; G198-L202 WeakPolarHBondContact O-CB 3.44Å; G198-L202 WeakPolarHBondContact O-CG 3.43Å; G198-L202 PolarHBondContact O-N 3.32Å
199A93.8Very high90.6Very high56 Ų5663.5 Ų63.546%0.46334%0.336SS..Hα-helixtrans-62.8-46.617900000112.4V195 L196 W201 L202 F203V195-A199 WeakPolarHBondContact O-CB 3.32Å; V195-A199 PolarHBondContact O-N 3.38Å; L196-A199 PolarHBondContact O-N 3.41Å; A199-W201 PolarHBondContact O-N 3.4Å; A199-L202 PolarHBondContact O-N 3.22Å; A199-F203 WeakPolarHBondContact O-CB 3.48Å; A199-F203 PolarHBondContact O-N 3.13Å
200L91.6Very high89.8Confident86 Ų8671.3 Ų71.345%0.4536%0.357SS..Hα-helixtrans-62.9-40.9177.1-73.4171.8000111.9L196 W204 M416L196-L200 WeakPolarHBondContact O-CB 3.48Å; L196-L200 VanDerWaalsContact O-CG 3.26Å; L196-L200 WeakPolarHBondContact O-CG 3.33Å; L196-L200 PolarHBondContact O-N 3.46Å; L200-W204 PolarHBondContact O-N 3.42Å; L200-M416 HydrophobicContact CB-CE 3.6Å
201W91.6Very high88.8Confident6 Ų673.2 Ų73.22%0.02337%0.368CS..Hα-helixtrans-67.3-46.9177.3-173.2-107.4000111.9F197 G198 A199 F203 W204 C205 Q216 I219 I223 M416F197-W201 WeakPolarHBondContact O-CB 3.33Å; F197-W201 PolarHBondContact O-N 2.99Å; G198-W201 PolarHBondContact O-N 2.91Å; A199-W201 PolarHBondContact O-N 3.4Å; W201-F203 VanDerWaalsContact C-N 3.29Å; W201-F203 PolarHBondContact O-N 3.18Å; W201-W204 HydrophobicContact CE3-CE3 4.01Å; W201-W204 HydrophobicContact CE3-CZ3 4.48Å; W201-W204 HydrophobicContact CZ3-CE3 4.36Å; W201-W204 PolarHBondContact O-N 3.45Å; W201-C205 PolarHBondContact NE1-SG 3.48Å; W201-C205 PolarHBondContact O-N 2.82Å; W201-C205 PolarHBondContact O-SG 2.85Å; W201-C205 VanDerWaalsContact O-SG 3.35Å; W201-Q216 HydrophobicContact CH2-CG 4.29Å; W201-Q216 HydrophobicContact CZ2-CB 3.91Å; W201-Q216 HydrophobicContact CZ2-CG 4.17Å; W201-I219 HydrophobicContact CD2-CG2 4.38Å; W201-I219 HydrophobicContact CH2-CB 4.27Å; W201-I219 HydrophobicContact CH2-CD1 3.86Å; W201-I219 HydrophobicContact CH2-CG2 3.96Å; W201-I219 HydrophobicContact CZ2-CB 3.73Å; W201-I219 HydrophobicContact CZ2-CD1 4.05Å; W201-I219 HydrophobicContact CZ2-CG1 4.49Å; W201-I219 HydrophobicContact CZ2-CG2 3.69Å; W201-I219 HydrophobicContact CZ3-CG2 4.42Å; W201-I223 HydrophobicContact CB-CD1 3.88Å; W201-I223 HydrophobicContact CD2-CD1 4.23Å; W201-I223 HydrophobicContact CG-CD1 3.75Å; W201-M416 HydrophobicContact CB-CE 4.24Å; W201-M416 HydrophobicContact CD2-CG 4.49Å; W201-M416 HydrophobicContact CE3-CE 4.31Å; W201-M416 HydrophobicContact CE3-CG 3.49Å; W201-M416 VanDerWaalsContact CE3-CG 3.49Å; W201-M416 HydrophobicContact CE3-SD 4.46Å; W201-M416 HydrophobicContact CZ3-CG 3.81Å
202L90.4Very high87.9Confident106 Ų10672.9 Ų72.956%0.55536%0.364SS*.Hα-helixtrans-59.6-41.3176.2-73.3174.8000111.4G198 A199 W204 C205 V206G198-L202 VanDerWaalsContact O-CB 3.32Å; G198-L202 WeakPolarHBondContact O-CB 3.44Å; G198-L202 WeakPolarHBondContact O-CG 3.43Å; G198-L202 PolarHBondContact O-N 3.32Å; A199-L202 PolarHBondContact O-N 3.22Å; L202-W204 PolarHBondContact O-N 2.88Å; L202-C205 PolarHBondContact O-N 3.48Å; L202-V206 WeakPolarHBondContact O-CG2 3.3Å; L202-V206 PolarHBondContact O-N 3.29Å
203F90.4Very high87.1Confident129 Ų12970.9 Ų70.957%0.56635%0.354SS*.Hα-helixtrans-56.5-48.9174.7176.1-102.6000111.6A199 W201 V206 C207A199-F203 WeakPolarHBondContact O-CB 3.48Å; A199-F203 PolarHBondContact O-N 3.13Å; W201-F203 VanDerWaalsContact C-N 3.29Å; W201-F203 PolarHBondContact O-N 3.18Å; F203-V206 PolarHBondContact O-N 3.03Å; F203-C207 PolarHBondContact O-N 3.47Å; F203-C207 PolarHBondContact O-SG 2.87Å
204W87.6Confident86.4Confident35 Ų3578.2 Ų78.213%0.13338%0.377CS..Hα-helixtrans-65.1-39.3175.6-67.3-26.1000113.1L200 W201 L202 V206 C207 Y208 M416 R420 P421L200-W204 PolarHBondContact O-N 3.42Å; W201-W204 HydrophobicContact CE3-CE3 4.01Å; W201-W204 HydrophobicContact CE3-CZ3 4.48Å; W201-W204 HydrophobicContact CZ3-CE3 4.36Å; W201-W204 PolarHBondContact O-N 3.45Å; L202-W204 PolarHBondContact O-N 2.88Å; W204-V206 VanDerWaalsContact C-N 3.32Å; W204-V206 PolarHBondContact O-N 3.47Å; W204-C207 PolarHBondContact O-N 2.91Å; W204-Y208 VanDerWaalsContact O-CD2 3.31Å; W204-Y208 WeakPolarHBondContact O-CD2 3.34Å; W204-Y208 PolarHBondContact O-N 2.94Å; W204-Y208 VanDerWaalsContact O-N 3.1Å; W204-M416 HydrophobicContact CE3-CE 3.78Å; W204-M416 HydrophobicContact CH2-CE 3.79Å; W204-M416 HydrophobicContact CZ3-CE 3.24Å; W204-M416 HydrophobicContact CZ3-CG 3.96Å; W204-M416 HydrophobicContact CZ3-SD 4.4Å; W204-R420 HydrophobicContact CD2-CG 3.87Å; W204-R420 HydrophobicContact CE3-CB 4.42Å; W204-R420 HydrophobicContact CE3-CG 3.75Å; W204-R420 HydrophobicContact CG-CG 4.38Å; W204-R420 HydrophobicContact CH2-CG 4.44Å; W204-R420 HydrophobicContact CZ3-CB 4.36Å; W204-R420 HydrophobicContact CZ3-CG 4.01Å; W204-P421 HydrophobicContact CB-CG 4.33Å
205C85.4Confident85.8Confident17 Ų1779 Ų7912%0.11538%0.381CS..Hα-helixtrans-61.9-39.1176.2-71.60000112.3W201 L202 Y208 W209 L212W201-C205 PolarHBondContact NE1-SG 3.48Å; W201-C205 PolarHBondContact O-N 2.82Å; W201-C205 PolarHBondContact O-SG 2.85Å; W201-C205 VanDerWaalsContact O-SG 3.35Å; L202-C205 PolarHBondContact O-N 3.48Å; C205-Y208 CarbonylContact O-C 3.47Å; C205-W209 WeakPolarHBondContact O-CA 3.06Å; C205-W209 WeakPolarHBondContact O-CB 3.43Å; C205-W209 PolarHBondContact O-N 3.34Å; C205-L212 HydrophobicContact CB-CD1 4.24Å; C205-L212 HydrophobicContact CB-CD2 4.4Å
206V87.8Confident85.4Confident112 Ų11275.5 Ų75.568%0.67936%0.36SS*.Hα-helixtrans-70.1-43.9178171.60000111L202 F203 W204 Y208 W209L202-V206 WeakPolarHBondContact O-CG2 3.3Å; L202-V206 PolarHBondContact O-N 3.29Å; F203-V206 PolarHBondContact O-N 3.03Å; W204-V206 VanDerWaalsContact C-N 3.32Å; W204-V206 PolarHBondContact O-N 3.47Å; V206-Y208 PolarHBondContact O-N 3.37Å; V206-W209 PolarHBondContact O-N 3.19Å
207C86.5Confident85Confident73 Ų7376.9 Ų76.949%0.49336%0.359SS..Hα-helixtrans-60.8-33.6177.6-69.50000113F203 W204F203-C207 PolarHBondContact O-N 3.47Å; F203-C207 PolarHBondContact O-SG 2.87Å; W204-C207 PolarHBondContact O-N 2.91Å
208Y80.8Confident84.7Confident64 Ų6482.8 Ų82.825%0.25138%0.381SS..THydrogen-bonded Turntrans-116.629.5-176.6-59.1-68.3000112.8W204 C205 V206 R210 D211 P421 V423W204-Y208 VanDerWaalsContact O-CD2 3.31Å; W204-Y208 WeakPolarHBondContact O-CD2 3.34Å; W204-Y208 PolarHBondContact O-N 2.94Å; W204-Y208 VanDerWaalsContact O-N 3.1Å; C205-Y208 CarbonylContact O-C 3.47Å; V206-Y208 PolarHBondContact O-N 3.37Å; Y208-R210 PolarHBondContact O-N 2.95Å; Y208-R210 VanDerWaalsContact O-N 3.1Å; Y208-D211 PolarHBondContact O-N 2.79Å; Y208-P421 HydrophobicContact CD2-CB 3.79Å; Y208-P421 WeakPolarHBondContact CE2-O 3.38Å; Y208-P421 HydrophobicContact CG-CB 4.03Å; Y208-V423 HydrophobicContact CD1-CG2 4.08Å; Y208-V423 HydrophobicContact CE1-CG2 3.39Å
209W81.4Confident84.6Confident185 Ų18582.7 Ų82.770%0.70138%0.379SS*.G310 helixtrans-61.3-27.3-170-169.439.5000113.9C205 V206 D211C205-W209 WeakPolarHBondContact O-CA 3.06Å; C205-W209 WeakPolarHBondContact O-CB 3.43Å; C205-W209 PolarHBondContact O-N 3.34Å; V206-W209 PolarHBondContact O-N 3.19Å; W209-D211 VanDerWaalsContact C-N 3.3Å; W209-D211 PolarHBondContact O-N 2.97Å
210R75.8Confident84.4Confident240 Ų24080.6 Ų80.691%0.90636%0.363SS*.G310 helixtrans-70.3-24.5177.8-68.6-168.2171.7105.2-0.4113.8Y208Y208-R210 PolarHBondContact O-N 2.95Å; Y208-R210 VanDerWaalsContact O-N 3.1Å
211D71.6Confident84.4Confident61 Ų6178.2 Ų78.233%0.32636%0.355SS..G310 helixtrans-115.217.9-169.7-57.2-39.2000113Y208 W209 L213 Q426Y208-D211 PolarHBondContact O-N 2.79Å; W209-D211 VanDerWaalsContact C-N 3.3Å; W209-D211 PolarHBondContact O-N 2.97Å; D211-L213 PolarHBondContact O-N 2.9Å; D211-Q426 HydrophobicContact CB-CG 4.35Å; D211-Q426 PolarHBondContact O-NE2 2.87Å
212L73.8Confident84.5Confident23 Ų2378.1 Ų78.112%0.1236%0.355CS..  trans-73.1120.1-171.2-139.378.1000112.8C205 Q216 Y217 P421C205-L212 HydrophobicContact CB-CD1 4.24Å; C205-L212 HydrophobicContact CB-CD2 4.4Å; L212-Q216 HydrophobicContact CD1-CB 4.44Å; L212-Q216 HydrophobicContact CD2-CB 4.34Å; L212-Q216 HydrophobicContact CG-CB 3.99Å; L212-Y217 HydrophobicContact CB-CE2 4.1Å; L212-Y217 HydrophobicContact CD2-CD1 4.07Å; L212-Y217 HydrophobicContact CD2-CD2 4.12Å; L212-Y217 HydrophobicContact CD2-CE1 3.65Å; L212-Y217 HydrophobicContact CD2-CE2 3.72Å; L212-Y217 HydrophobicContact CD2-CG 4.3Å; L212-Y217 VanDerWaalsContact CD2-CZ 3.46Å; L212-Y217 HydrophobicContact CG-CE2 4.31Å; L212-P421 HydrophobicContact CD1-CG 4.16Å
213L77.2Confident84.6Confident47 Ų4773.2 Ų73.225%0.24633%0.329CS..  trans-74.1148.9175.7-76.5148.8000111D211 I215 Q216D211-L213 PolarHBondContact O-N 2.9Å; L213-I215 HydrophobicContact CB-CG2 4.08Å; L213-I215 PolarHBondContact O-N 2.94Å; L213-Q216 HydrophobicContact CB-CG 4.45Å; L213-Q216 VanDerWaalsContact N-OE1 3.13Å; L213-Q216 WeakPolarHBondContact O-CB 3.26Å; L213-Q216 PolarHBondContact O-N 2.97Å
214R80.8Confident84.8Confident196 Ų19671.8 Ų71.874%0.7433%0.327SS*.Hα-helixtrans-51.6-37177.3-67.7-174-175.1-149.81.1112.6Q216 Y217R214-Q216 VanDerWaalsContact C-N 3.28Å; R214-Q216 PolarHBondContact O-N 3.49Å; R214-Y217 PolarHBondContact O-N 2.76Å
215I80.4Confident85Confident17 Ų1771.6 Ų71.69%0.08733%0.328CS..Hα-helixtrans-63.6-29.9179.3-158.4166.6000113.3L213 W218 I219 I271 V272 L419L213-I215 HydrophobicContact CB-CG2 4.08Å; L213-I215 PolarHBondContact O-N 2.94Å; I215-W218 WeakPolarHBondContact O-CB 3.46Å; I215-W218 PolarHBondContact O-N 2.99Å; I215-I219 WeakPolarHBondContact O-CG1 3.17Å; I215-I219 PolarHBondContact O-N 2.69Å; I215-I219 VanDerWaalsContact O-N 3.08Å; I215-I271 HydrophobicContact CD1-CB 4.48Å; I215-I271 HydrophobicContact CD1-CG2 3.55Å; I215-I271 HydrophobicContact CG1-CG2 4.39Å; I215-V272 HydrophobicContact CD1-CG2 3.88Å; I215-L419 HydrophobicContact CD1-CD2 4.38Å
216Q86.6Confident85.4Confident6 Ų670.8 Ų70.83%0.02832%0.323CS..Hα-helixtrans-71.2-33-179.9-70169.4-15.500111.8W201 L212 L213 R214 W218 I219 G220W201-Q216 HydrophobicContact CH2-CG 4.29Å; W201-Q216 HydrophobicContact CZ2-CB 3.91Å; W201-Q216 HydrophobicContact CZ2-CG 4.17Å; L212-Q216 HydrophobicContact CD1-CB 4.44Å; L212-Q216 HydrophobicContact CD2-CB 4.34Å; L212-Q216 HydrophobicContact CG-CB 3.99Å; L213-Q216 HydrophobicContact CB-CG 4.45Å; L213-Q216 VanDerWaalsContact N-OE1 3.13Å; L213-Q216 WeakPolarHBondContact O-CB 3.26Å; L213-Q216 PolarHBondContact O-N 2.97Å; R214-Q216 VanDerWaalsContact C-N 3.28Å; R214-Q216 PolarHBondContact O-N 3.49Å; Q216-W218 VanDerWaalsContact C-N 3.32Å; Q216-I219 PolarHBondContact O-N 3.11Å; Q216-G220 PolarHBondContact O-N 2.68Å
217Y86Confident85.6Confident129 Ų12967.8 Ų67.851%0.50630%0.302SS..Hα-helixtrans-63.5-38.7170.7-69.8-74.1000111.8L212 R214 G220 A221L212-Y217 HydrophobicContact CB-CE2 4.1Å; L212-Y217 HydrophobicContact CD2-CD1 4.07Å; L212-Y217 HydrophobicContact CD2-CD2 4.12Å; L212-Y217 HydrophobicContact CD2-CE1 3.65Å; L212-Y217 HydrophobicContact CD2-CE2 3.72Å; L212-Y217 HydrophobicContact CD2-CG 4.3Å; L212-Y217 VanDerWaalsContact CD2-CZ 3.46Å; L212-Y217 HydrophobicContact CG-CE2 4.31Å; R214-Y217 PolarHBondContact O-N 2.76Å; Y217-G220 PolarHBondContact O-N 2.98Å; Y217-A221 WeakPolarHBondContact O-CB 3.43Å; Y217-A221 PolarHBondContact O-N 3.43Å
218W87.3Confident86Confident145 Ų14568 Ų6855%0.54930%0.298SS..Hα-helixtrans-65.2-40.1175.1-72100.1000112.4I215 Q216 A221 V222 L264 L268I215-W218 WeakPolarHBondContact O-CB 3.46Å; I215-W218 PolarHBondContact O-N 2.99Å; Q216-W218 VanDerWaalsContact C-N 3.32Å; W218-A221 PolarHBondContact O-N 3.42Å; W218-V222 WeakPolarHBondContact O-CG2 3.44Å; W218-V222 PolarHBondContact O-N 3.15Å; W218-L264 HydrophobicContact CE3-CD2 4.25Å; W218-L264 HydrophobicContact CZ3-CD2 3.78Å; W218-L268 HydrophobicContact CB-CD1 4.45Å
219I89.1Confident86.6Confident4 Ų465 Ų652%0.02129%0.286CS..Hα-helixtrans-60-47.7173.3-62.9166.6000110.1W201 I215 Q216 A221 V222 I223 L268 I415 L419W201-I219 HydrophobicContact CD2-CG2 4.38Å; W201-I219 HydrophobicContact CH2-CB 4.27Å; W201-I219 HydrophobicContact CH2-CD1 3.86Å; W201-I219 HydrophobicContact CH2-CG2 3.96Å; W201-I219 HydrophobicContact CZ2-CB 3.73Å; W201-I219 HydrophobicContact CZ2-CD1 4.05Å; W201-I219 HydrophobicContact CZ2-CG1 4.49Å; W201-I219 HydrophobicContact CZ2-CG2 3.69Å; W201-I219 HydrophobicContact CZ3-CG2 4.42Å; I215-I219 WeakPolarHBondContact O-CG1 3.17Å; I215-I219 PolarHBondContact O-N 2.69Å; I215-I219 VanDerWaalsContact O-N 3.08Å; Q216-I219 PolarHBondContact O-N 3.11Å; I219-A221 VanDerWaalsContact C-N 3.33Å; I219-A221 PolarHBondContact O-N 3.33Å; I219-V222 PolarHBondContact O-N 3.07Å; I219-I223 HydrophobicContact CG2-CD1 4.1Å; I219-I223 WeakPolarHBondContact O-CG1 2.97Å; I219-I223 PolarHBondContact O-N 3.45Å; I219-L268 HydrophobicContact CB-CD1 4.36Å; I219-L268 HydrophobicContact CG1-CD1 3.68Å; I219-L268 HydrophobicContact CG1-CD2 4.38Å; I219-L268 HydrophobicContact CG1-CG 4.47Å; I219-I415 HydrophobicContact CD1-CG2 4.45Å; I219-L419 HydrophobicContact CD1-CB 3.86Å; I219-L419 HydrophobicContact CD1-CD2 3.74Å; I219-L419 HydrophobicContact CD1-CG 4.46Å
220G91Very high87.1Confident12 Ų1256.4 Ų56.412%0.12425%0.254CS..Hα-helixtrans-58.5-42.7176.700000112.8Q216 Y217 V222 I223 I224Q216-G220 PolarHBondContact O-N 2.68Å; Y217-G220 PolarHBondContact O-N 2.98Å; G220-V222 PolarHBondContact O-N 3.33Å; G220-I223 PolarHBondContact O-N 3.32Å; G220-I224 WeakPolarHBondContact O-CG1 3.4Å; G220-I224 PolarHBondContact O-N 3.46Å
221A91.2Very high88Confident35 Ų3547 Ų4729%0.28923%0.228SC..Hα-helixtrans-60.9-42.5175.900000112.2Y217 W218 I219 I223 I224 L225Y217-A221 WeakPolarHBondContact O-CB 3.43Å; Y217-A221 PolarHBondContact O-N 3.43Å; W218-A221 PolarHBondContact O-N 3.42Å; I219-A221 VanDerWaalsContact C-N 3.33Å; I219-A221 PolarHBondContact O-N 3.33Å; A221-I223 VanDerWaalsContact C-N 3.32Å; A221-I223 PolarHBondContact O-N 3.44Å; A221-I224 PolarHBondContact O-N 2.91Å; A221-L225 WeakPolarHBondContact O-CD1 3.36Å; A221-L225 PolarHBondContact O-N 3.39Å
222V93.1Very high89Confident5 Ų545 Ų453%0.0322%0.217CC..Hα-helixtrans-64.3-36.4176.6175.30000111.7W218 I219 G220 G226 K261 L264 A265 L268 F408 L412W218-V222 WeakPolarHBondContact O-CG2 3.44Å; W218-V222 PolarHBondContact O-N 3.15Å; I219-V222 PolarHBondContact O-N 3.07Å; G220-V222 PolarHBondContact O-N 3.33Å; V222-G226 PolarHBondContact O-N 3Å; V222-K261 HydrophobicContact CG1-CG 4.35Å; V222-L264 HydrophobicContact CG2-CB 3.89Å; V222-A265 HydrophobicContact CG1-CB 4.29Å; V222-L268 HydrophobicContact CG2-CD1 4.2Å; V222-F408 HydrophobicContact CG1-CZ 4.38Å; V222-L412 HydrophobicContact CG1-CD1 3.82Å
223I93.4Very high89.8Confident2 Ų244.7 Ų44.71%0.0122%0.215CC..Hα-helixtrans-64.9-45.6175.3-66.2166.7000110.8F197 W201 I219 G220 A221 L225 G226 M227 L412F197-I223 HydrophobicContact CB-CG2 4.49Å; W201-I223 HydrophobicContact CB-CD1 3.88Å; W201-I223 HydrophobicContact CD2-CD1 4.23Å; W201-I223 HydrophobicContact CG-CD1 3.75Å; I219-I223 HydrophobicContact CG2-CD1 4.1Å; I219-I223 WeakPolarHBondContact O-CG1 2.97Å; I219-I223 PolarHBondContact O-N 3.45Å; G220-I223 PolarHBondContact O-N 3.32Å; A221-I223 VanDerWaalsContact C-N 3.32Å; A221-I223 PolarHBondContact O-N 3.44Å; I223-L225 PolarHBondContact O-N 3.14Å; I223-G226 WeakPolarHBondContact O-CA 3.41Å; I223-G226 PolarHBondContact O-N 3.03Å; I223-G226 VanDerWaalsContact O-N 3.1Å; I223-M227 HydrophobicContact CG2-CE 4.43Å; I223-M227 PolarHBondContact O-N 3.33Å; I223-L412 HydrophobicContact CD1-CD2 4.27Å; I223-L412 HydrophobicContact CG1-CD1 4.19Å; I223-L412 HydrophobicContact CG1-CD2 3.79Å
224I93.8Very high90.5Very high100 Ų10046.2 Ų46.251%0.51322%0.218SC..Hα-helixtrans-61.9-44.6178.1-66.9167.3000111.2G220 A221 G226 M227 L228G220-I224 WeakPolarHBondContact O-CG1 3.4Å; G220-I224 PolarHBondContact O-N 3.46Å; A221-I224 PolarHBondContact O-N 2.91Å; I224-G226 VanDerWaalsContact C-N 3.27Å; I224-G226 PolarHBondContact O-N 2.96Å; I224-M227 HydrophobicContact CB-CE 4.17Å; I224-M227 HydrophobicContact CG1-CE 3.74Å; I224-M227 PolarHBondContact O-N 3.47Å; I224-L228 PolarHBondContact O-N 3.4Å
225L93.1Very high91Very high31 Ų3139.4 Ų39.416%0.16220%0.2CC..Hα-helixtrans-60.8-37.8173.5-97.667.4000112A221 I223 L228 E229 L260 K261 L264A221-L225 WeakPolarHBondContact O-CD1 3.36Å; A221-L225 PolarHBondContact O-N 3.39Å; I223-L225 PolarHBondContact O-N 3.14Å; L225-L228 PolarHBondContact O-N 3.3Å; L225-E229 WeakPolarHBondContact O-CB 3.34Å; L225-E229 PolarHBondContact O-N 2.68Å; L225-L260 HydrophobicContact CD2-CB 4.28Å; L225-L260 HydrophobicContact CD2-CD2 3.71Å; L225-L260 HydrophobicContact CD2-CG 3.65Å; L225-K261 HydrophobicContact CB-CB 4.31Å; L225-K261 HydrophobicContact CB-CG 4.38Å; L225-K261 HydrophobicContact CD2-CB 4.45Å; L225-L264 HydrophobicContact CD2-CD1 3.72Å
226G92.6Very high91.5Very high0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-61.9-44.8173.800000113V222 I223 I224 E229 K230V222-G226 PolarHBondContact O-N 3Å; I223-G226 WeakPolarHBondContact O-CA 3.41Å; I223-G226 PolarHBondContact O-N 3.03Å; I223-G226 VanDerWaalsContact O-N 3.1Å; I224-G226 VanDerWaalsContact C-N 3.27Å; I224-G226 PolarHBondContact O-N 2.96Å; G226-E229 PolarHBondContact O-N 3.21Å; G226-K230 WeakPolarHBondContact O-CG 3.34Å; G226-K230 PolarHBondContact O-N 3.22Å; G226-K230 VanDerWaalsContact O-N 3.14Å
227M93.1Very high91.5Very high48 Ų4840.9 Ų40.924%0.23621%0.206CC..Hα-helixtrans-59.7-47.6174.6-71-173.8-66.300111.3V195 I223 I224 K230 A231V195-M227 HydrophobicContact CG2-SD 4.34Å; I223-M227 HydrophobicContact CG2-CE 4.43Å; I223-M227 PolarHBondContact O-N 3.33Å; I224-M227 HydrophobicContact CB-CE 4.17Å; I224-M227 HydrophobicContact CG1-CE 3.74Å; I224-M227 PolarHBondContact O-N 3.47Å; M227-K230 PolarHBondContact O-N 3.24Å; M227-A231 WeakPolarHBondContact O-CB 3.47Å; M227-A231 PolarHBondContact O-N 2.97Å
228L93.9Very high91.7Very high77 Ų7738.2 Ų38.240%0.40320%0.198SC..Hα-helixtrans-62.9-44.6-179.7-172.965.6000111.5I224 L225 K230 A231 V232 L257I224-L228 PolarHBondContact O-N 3.4Å; L225-L228 PolarHBondContact O-N 3.3Å; L228-K230 PolarHBondContact O-N 3.32Å; L228-A231 PolarHBondContact O-N 3.47Å; L228-V232 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 3.32Å; L228-L257 HydrophobicContact CD2-CD1 3.65Å; L228-L257 HydrophobicContact CD2-CD2 3.78Å; L228-L257 HydrophobicContact CD2-CG 4.39Å; L228-L257 HydrophobicContact CG-CD1 3.68Å
229E93.6Very high91.8Very high3 Ų332.3 Ų32.31%0.01418%0.178CC..Hα-helixtrans-55.4-50.9176.1-175.8-158.4126.800111.6L225 G226 A231 V232 F233 S258 K261 R405L225-E229 WeakPolarHBondContact O-CB 3.34Å; L225-E229 PolarHBondContact O-N 2.68Å; G226-E229 PolarHBondContact O-N 3.21Å; E229-A231 VanDerWaalsContact C-N 3.34Å; E229-A231 PolarHBondContact O-N 3.33Å; E229-V232 PolarHBondContact O-N 2.99Å; E229-F233 HydrophobicContact CG-CD2 3.73Å; E229-F233 HydrophobicContact CG-CE2 3.54Å; E229-F233 VanDerWaalsContact O-CD2 3.29Å; E229-F233 WeakPolarHBondContact O-CD2 3.34Å; E229-F233 PolarHBondContact O-N 2.91Å; E229-S258 VanDerWaalsContact CD-OG 3.26Å; E229-S258 VanDerWaalsContact CG-OG 3.3Å; E229-S258 WeakPolarHBondContact CG-OG 3.37Å; E229-K261 VanDerWaalsContact OE2-CD 3.26Å; E229-K261 WeakPolarHBondContact OE2-CD 3.45Å; E229-K261 WeakPolarHBondContact OE2-CE 3.3Å; E229-K261 IonicContact OE2-NZ 3.27Å; E229-R405 IonicContact OE1-NH1 4Å
230K92.6Very high91.8Very high4 Ų434.3 Ų34.32%0.01719%0.189CC..Hα-helixtrans-65.9-36.6-178.1-61.3-55.7171.1-148.30112.3F187 M190 C191 Y194 G226 M227 L228 Y234F187-K230 HydrophobicContact CD1-CD 3.78Å; F187-K230 HydrophobicContact CE1-CD 4.08Å; M190-K230 HydrophobicContact CB-CD 4.3Å; M190-K230 HydrophobicContact CB-CG 4.5Å; C191-K230 HydrophobicContact CB-CB 4.03Å; Y194-K230 HydrophobicContact CD2-CG 4.28Å; G226-K230 WeakPolarHBondContact O-CG 3.34Å; G226-K230 PolarHBondContact O-N 3.22Å; G226-K230 VanDerWaalsContact O-N 3.14Å; M227-K230 PolarHBondContact O-N 3.24Å; L228-K230 PolarHBondContact O-N 3.32Å; K230-Y234 VanDerWaalsContact O-CB 3.31Å; K230-Y234 WeakPolarHBondContact O-CB 2.67Å; K230-Y234 PolarHBondContact O-N 3.42Å
231A93.3Very high91.6Very high43 Ų4336.6 Ų36.636%0.35519%0.193SC..Hα-helixtrans-63.7-44.6175.400000112M227 L228 E229 Y234 S235M227-A231 WeakPolarHBondContact O-CB 3.47Å; M227-A231 PolarHBondContact O-N 2.97Å; L228-A231 PolarHBondContact O-N 3.47Å; E229-A231 VanDerWaalsContact C-N 3.34Å; E229-A231 PolarHBondContact O-N 3.33Å; A231-Y234 PolarHBondContact O-N 2.95Å; A231-S235 PolarHBondContact O-N 2.81Å
232V93.1Very high91.5Very high18 Ų1841.1 Ų41.111%0.10920%0.204CC..Hα-helixtrans-66.1-47.2178.8-177.80000110.7L228 E229 Y234 S235 E236 F253 A254 L257L228-V232 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 3.32Å; E229-V232 PolarHBondContact O-N 2.99Å; V232-Y234 VanDerWaalsContact C-N 3.33Å; V232-Y234 PolarHBondContact O-N 3.18Å; V232-S235 PolarHBondContact O-N 3.07Å; V232-S235 VanDerWaalsContact O-N 3.15Å; V232-S235 PolarHBondContact O-OG 3.42Å; V232-E236 PolarHBondContact O-N 2.87Å; V232-F253 HydrophobicContact CG1-CD1 4.35Å; V232-F253 HydrophobicContact CG2-CD1 4.22Å; V232-F253 HydrophobicContact CG2-CE1 4.11Å; V232-A254 HydrophobicContact CB-CB 4.19Å; V232-A254 HydrophobicContact CG1-CB 3.59Å; V232-L257 HydrophobicContact CG2-CD1 4.18Å
233F91.1Very high91.1Very high16 Ų1648 Ų487%0.0723%0.234CC..Hα-helixtrans-59.2-43.1175.9-80.8-62.8000112.5F187 E229 S235 E236 Y237 A254 S258F187-F233 HydrophobicContact CD1-CB 3.85Å; F187-F233 HydrophobicContact CD1-CG 4.47Å; F187-F233 HydrophobicContact CD2-CB 4.33Å; F187-F233 HydrophobicContact CE1-CB 3.89Å; F187-F233 HydrophobicContact CE1-CD2 4.02Å; F187-F233 HydrophobicContact CE1-CG 4.02Å; F187-F233 HydrophobicContact CE2-CB 4.34Å; F187-F233 HydrophobicContact CG-CB 4.12Å; F187-F233 HydrophobicContact CZ-CB 4.16Å; F187-F233 HydrophobicContact CZ-CD2 4.42Å; F187-F233 HydrophobicContact CZ-CG 4.14Å; E229-F233 HydrophobicContact CG-CD2 3.73Å; E229-F233 HydrophobicContact CG-CE2 3.54Å; E229-F233 VanDerWaalsContact O-CD2 3.29Å; E229-F233 WeakPolarHBondContact O-CD2 3.34Å; E229-F233 PolarHBondContact O-N 2.91Å; F233-S235 VanDerWaalsContact C-N 3.32Å; F233-S235 PolarHBondContact O-N 3.37Å; F233-E236 PolarHBondContact O-N 2.88Å; F233-Y237 WeakPolarHBondContact O-CD2 3.26Å; F233-Y237 PolarHBondContact O-N 3.37Å; F233-Y237 VanDerWaalsContact O-N 3.11Å; F233-A254 HydrophobicContact CD1-CB 4.26Å; F233-A254 HydrophobicContact CE1-CB 3.99Å; F233-A254 HydrophobicContact CE2-CB 4.29Å; F233-A254 HydrophobicContact CZ-CB 4Å; F233-S258 WeakPolarHBondContact CE2-OG 3.47Å
234Y91.4Very high90.5Very high79 Ų7949.5 Ų49.531%0.3125%0.249SC..Hα-helixtrans-59.8-43.1176.4174.7-101.6000111.8M188 K230 A231 V232 E236 Y237 Q238M188-Y234 HydrophobicContact CB-CD2 4.02Å; M188-Y234 HydrophobicContact CB-CE2 3.95Å; M188-Y234 HydrophobicContact CG-CE2 4.24Å; K230-Y234 VanDerWaalsContact O-CB 3.31Å; K230-Y234 WeakPolarHBondContact O-CB 2.67Å; K230-Y234 PolarHBondContact O-N 3.42Å; A231-Y234 PolarHBondContact O-N 2.95Å; V232-Y234 VanDerWaalsContact C-N 3.33Å; V232-Y234 PolarHBondContact O-N 3.18Å; Y234-E236 VanDerWaalsContact C-N 3.31Å; Y234-E236 PolarHBondContact O-N 3.44Å; Y234-Y237 PolarHBondContact O-N 3.39Å; Y234-Q238 WeakPolarHBondContact O-CB 3.45Å; Y234-Q238 PolarHBondContact O-N 2.9Å
235S90.9Very high89.9Confident53 Ų5349 Ų4937%0.37125%0.247SC..Hα-helixtrans-62.4-36.3177.574.10000113.1A231 V232 F233 Q238 S239A231-S235 PolarHBondContact O-N 2.81Å; V232-S235 PolarHBondContact O-N 3.07Å; V232-S235 VanDerWaalsContact O-N 3.15Å; V232-S235 PolarHBondContact O-OG 3.42Å; F233-S235 VanDerWaalsContact C-N 3.32Å; F233-S235 PolarHBondContact O-N 3.37Å; S235-Q238 PolarHBondContact O-N 2.96Å; S235-S239 PolarHBondContact O-N 2.99Å
236E90.6Very high89.3Confident14 Ų1455.9 Ų55.97%0.06527%0.273CS..Hα-helixtrans-65.5-49.4175.3-73.7-59.2107.500111.8V232 F233 Y234 Q238 S239 I240 A250 V251V232-E236 PolarHBondContact O-N 2.87Å; F233-E236 PolarHBondContact O-N 2.88Å; Y234-E236 VanDerWaalsContact C-N 3.31Å; Y234-E236 PolarHBondContact O-N 3.44Å; E236-Q238 PolarHBondContact O-N 3.48Å; E236-S239 WeakPolarHBondContact O-CB 3.49Å; E236-S239 PolarHBondContact O-N 3.2Å; E236-S239 VanDerWaalsContact O-N 3.09Å; E236-I240 WeakPolarHBondContact O-CG1 3.21Å; E236-I240 PolarHBondContact O-N 3.23Å; E236-A250 HydrophobicContact CG-CB 4.39Å; E236-A250 WeakPolarHBondContact OE1-CB 3.37Å; E236-V251 HydrophobicContact CG-CG2 4.21Å; E236-V251 WeakPolarHBondContact OE2-CG2 3.3Å
237Y88.4Confident89Confident41 Ų4159.7 Ų59.716%0.16130%0.295CS..Hα-helixtrans-62.3-33.4176.6-76.5-71.9000112.2D180 L183 M184 F187 F233 Y234 R241D180-Y237 HydrophobicContact CB-CD1 4.41Å; D180-Y237 HydrophobicContact CB-CE1 4.1Å; L183-Y237 HydrophobicContact CD2-CE1 4.26Å; L183-Y237 HydrophobicContact CD2-CE2 4.36Å; L183-Y237 WeakPolarHBondContact CD2-OH 3.27Å; L183-Y237 HydrophobicContact CG-CE2 4.41Å; M184-Y237 HydrophobicContact CB-CG 4.27Å; F187-Y237 AromaticContact CD2-CD2 3.72Å; F187-Y237 HydrophobicContact CD2-CD2 3.72Å; F187-Y237 AromaticContact CD2-CE2 3.54Å; F187-Y237 HydrophobicContact CD2-CE2 3.54Å; F187-Y237 HydrophobicContact CE2-CD2 4.04Å; F187-Y237 AromaticContact CE2-CE2 3.36Å; F187-Y237 HydrophobicContact CE2-CE2 3.36Å; F187-Y237 HydrophobicContact CZ-CE2 4.43Å; F233-Y237 WeakPolarHBondContact O-CD2 3.26Å; F233-Y237 PolarHBondContact O-N 3.37Å; F233-Y237 VanDerWaalsContact O-N 3.11Å; Y234-Y237 PolarHBondContact O-N 3.39Å; Y237-R241 WeakPolarHBondContact O-CB 3.2Å; Y237-R241 PolarHBondContact O-N 3.25Å
238Q89Confident88.6Confident73 Ų7361.2 Ų61.234%0.34130%0.304SS..Hα-helixtrans-67.6-41.5173.7-170.4171.7-1000111.8Y234 S235 E236 R241 Y242Y234-Q238 WeakPolarHBondContact O-CB 3.45Å; Y234-Q238 PolarHBondContact O-N 2.9Å; S235-Q238 PolarHBondContact O-N 2.96Å; E236-Q238 PolarHBondContact O-N 3.48Å; Q238-R241 PolarHBondContact O-N 3.44Å; Q238-Y242 HydrophobicContact CG-CD2 3.62Å; Q238-Y242 HydrophobicContact CG-CE2 3.59Å; Q238-Y242 VanDerWaalsContact O-CD2 3.3Å; Q238-Y242 WeakPolarHBondContact O-CD2 3.32Å; Q238-Y242 PolarHBondContact O-N 3.43Å; Q238-Y242 VanDerWaalsContact O-N 3.09Å
239S90.1Very high88.3Confident20 Ų2060 Ų6014%0.1431%0.31CS..Hα-helixtrans-62.1-45.1174.1-173.10000111.3S235 E236 R241 Y242 K243 G244 D245S235-S239 PolarHBondContact O-N 2.99Å; E236-S239 WeakPolarHBondContact O-CB 3.49Å; E236-S239 PolarHBondContact O-N 3.2Å; E236-S239 VanDerWaalsContact O-N 3.09Å; S239-R241 VanDerWaalsContact C-N 3.3Å; S239-R241 PolarHBondContact O-N 3.29Å; S239-Y242 PolarHBondContact O-N 2.95Å; S239-K243 WeakPolarHBondContact O-CA 3.19Å; S239-K243 WeakPolarHBondContact O-CB 2.98Å; S239-K243 PolarHBondContact O-N 3.27Å; S239-G244 PolarHBondContact O-N 2.91Å; S239-D245 PolarHBondContact OG-O 3.27Å
240I87.8Confident88Confident47 Ų4761 Ų6124%0.24132%0.319CS..Hα-helixtrans-59.7-42.5176.9-67.7165.5000110.6Y175 E236 G244Y175-I240 VanDerWaalsContact CB-O 3.32Å; Y175-I240 WeakPolarHBondContact CB-O 3.36Å; E236-I240 WeakPolarHBondContact O-CG1 3.21Å; E236-I240 PolarHBondContact O-N 3.23Å; I240-G244 VanDerWaalsContact O-CA 3.25Å; I240-G244 WeakPolarHBondContact O-CA 3.3Å; I240-G244 PolarHBondContact O-N 3.02Å; I240-G244 VanDerWaalsContact O-N 3.16Å
241R88.3Confident87.8Confident59 Ų5962.5 Ų62.522%0.22333%0.328CS..Hα-helixtrans-65-50.1180179.4176.8172.5176.9-2.9112.7D174 Y175 Y237 Q238 S239D174-R241 WeakPolarHBondContact CB-O 3.37Å; Y175-R241 PolarHBondContact N-O 3Å; Y237-R241 WeakPolarHBondContact O-CB 3.2Å; Y237-R241 PolarHBondContact O-N 3.25Å; Q238-R241 PolarHBondContact O-N 3.44Å; S239-R241 VanDerWaalsContact C-N 3.3Å; S239-R241 PolarHBondContact O-N 3.29Å
242Y87.5Confident87.7Confident131 Ų13163 Ų6351%0.51432%0.324SS..Hα-helixtrans-88.9-39.1-171-68.7-62.3000114.2Q238 S239Q238-Y242 HydrophobicContact CG-CD2 3.62Å; Q238-Y242 HydrophobicContact CG-CE2 3.59Å; Q238-Y242 VanDerWaalsContact O-CD2 3.3Å; Q238-Y242 WeakPolarHBondContact O-CD2 3.32Å; Q238-Y242 PolarHBondContact O-N 3.43Å; Q238-Y242 VanDerWaalsContact O-N 3.09Å; S239-Y242 PolarHBondContact O-N 2.95Å
243K84.9Confident87.6Confident150 Ų15066.8 Ų66.865%0.65234%0.34SS*.Hα-helixtrans-97.8-24.8-177.5-65.6-179.9179.7177.50112.7S239 D245S239-K243 WeakPolarHBondContact O-CA 3.19Å; S239-K243 WeakPolarHBondContact O-CB 2.98Å; S239-K243 PolarHBondContact O-N 3.27Å; K243-D245 PolarHBondContact O-N 3.41Å
244G82.2Confident87.6Confident32 Ų3266 Ų6633%0.3334%0.336SS..  trans76.33.5-176.100000114.4S239 I240S239-G244 PolarHBondContact O-N 2.91Å; I240-G244 VanDerWaalsContact O-CA 3.25Å; I240-G244 WeakPolarHBondContact O-CA 3.3Å; I240-G244 PolarHBondContact O-N 3.02Å; I240-G244 VanDerWaalsContact O-N 3.16Å
245D80.6Confident87.6Confident89 Ų8962.9 Ų62.948%0.47632%0.324SS..  trans-116.4139.6-176.6-67-33000111.2S239 K243S239-D245 PolarHBondContact OG-O 3.27Å; K243-D245 PolarHBondContact O-N 3.41Å
246Y79.7Confident87.7Confident177 Ų17764 Ų6469%0.69433%0.326SS*.  trans-90.4130.3174.159.6-87.7000110.1L248Y246-L248 HydrophobicContact CD2-CB 4.38Å; Y246-L248 HydrophobicContact CE2-CB 4.45Å; Y246-L248 PolarHBondContact O-N 3.23Å
247V86.1Confident87.8Confident79 Ų7964.2 Ų64.248%0.47933%0.327SS..  trans-91.293.9174.5-177.90000107.4G249 A250 V251V247-G249 PolarHBondContact O-N 3.46Å; V247-A250 HydrophobicContact CB-CB 4.09Å; V247-A250 HydrophobicContact CG1-CB 4.01Å; V247-A250 PolarHBondContact O-N 3.28Å; V247-V251 PolarHBondContact O-N 3.34Å
248L85.6Confident88Confident81 Ų8162.2 Ų62.242%0.42432%0.319SS..Hα-helixtrans-49.5-41.3-173.8-178.664.2000113.1Y246 A250 V251 I252 V309Y246-L248 HydrophobicContact CD2-CB 4.38Å; Y246-L248 HydrophobicContact CE2-CB 4.45Å; Y246-L248 PolarHBondContact O-N 3.23Å; L248-A250 VanDerWaalsContact C-N 3.34Å; L248-A250 PolarHBondContact O-N 3.46Å; L248-V251 PolarHBondContact O-N 3.1Å; L248-I252 HydrophobicContact CD1-CD1 4.14Å; L248-I252 HydrophobicContact CD1-CG1 4.39Å; L248-I252 HydrophobicContact CD2-CD1 4.5Å; L248-I252 HydrophobicContact CG-CD1 3.89Å; L248-I252 WeakPolarHBondContact O-CG1 3.4Å; L248-I252 PolarHBondContact O-N 3.01Å; L248-V309 HydrophobicContact CD1-CG1 3.95Å
249G86.9Confident88.1Confident50 Ų5058.8 Ų58.852%0.51530%0.303SS..Hα-helixtrans-63-36.9178.800000113.8V247 F253V247-G249 PolarHBondContact O-N 3.46Å; G249-F253 WeakPolarHBondContact O-CB 3.29Å; G249-F253 PolarHBondContact O-N 3.21Å
250A88.1Confident88.3Confident26 Ų2660.6 Ų60.622%0.21531%0.311CS..Hα-helixtrans-74.3-36.3178.800000111.8E236 V247 L248 F253 A254E236-A250 HydrophobicContact CG-CB 4.39Å; E236-A250 WeakPolarHBondContact OE1-CB 3.37Å; V247-A250 HydrophobicContact CB-CB 4.09Å; V247-A250 HydrophobicContact CG1-CB 4.01Å; V247-A250 PolarHBondContact O-N 3.28Å; L248-A250 VanDerWaalsContact C-N 3.34Å; L248-A250 PolarHBondContact O-N 3.46Å; A250-F253 PolarHBondContact O-N 3.41Å; A250-A254 WeakPolarHBondContact O-CB 3.42Å; A250-A254 PolarHBondContact O-N 3.37Å
251V88Confident88.5Confident34 Ų3458.7 Ų58.721%0.20630%0.301CS..Hα-helixtrans-62.5-46171.5-173.10000111.4E236 V247 L248 F253 A254 E255 V309E236-V251 HydrophobicContact CG-CG2 4.21Å; E236-V251 WeakPolarHBondContact OE2-CG2 3.3Å; V247-V251 PolarHBondContact O-N 3.34Å; L248-V251 PolarHBondContact O-N 3.1Å; V251-F253 VanDerWaalsContact C-N 3.32Å; V251-F253 PolarHBondContact O-N 2.96Å; V251-A254 PolarHBondContact O-N 3.12Å; V251-E255 PolarHBondContact O-N 3.33Å; V251-V309 HydrophobicContact CB-CG1 4.09Å; V251-V309 HydrophobicContact CG1-CB 4.31Å; V251-V309 HydrophobicContact CG1-CG1 3.55Å; V251-V309 HydrophobicContact CG1-CG2 3.72Å
252I90.6Very high88.6Confident53 Ų5358.6 Ų58.627%0.27230%0.301SS..Hα-helixtrans-61.4-43.4177.3-69.4169.8000110.6L248 E255 L256 V306 V309L248-I252 HydrophobicContact CD1-CD1 4.14Å; L248-I252 HydrophobicContact CD1-CG1 4.39Å; L248-I252 HydrophobicContact CD2-CD1 4.5Å; L248-I252 HydrophobicContact CG-CD1 3.89Å; L248-I252 WeakPolarHBondContact O-CG1 3.4Å; L248-I252 PolarHBondContact O-N 3.01Å; I252-E255 PolarHBondContact O-N 3.1Å; I252-L256 WeakPolarHBondContact O-CB 3.49Å; I252-L256 PolarHBondContact O-N 3.31Å; I252-V306 HydrophobicContact CG2-CG2 4.37Å; I252-V309 HydrophobicContact CG1-CG1 4.14Å
253F91.5Very high88.8Confident99 Ų9952.5 Ų52.543%0.43428%0.277SS..Hα-helixtrans-63-43.1176.8179.7-109.3000112.4V232 G249 A250 V251 E255 L256 L257V232-F253 HydrophobicContact CG1-CD1 4.35Å; V232-F253 HydrophobicContact CG2-CD1 4.22Å; V232-F253 HydrophobicContact CG2-CE1 4.11Å; G249-F253 WeakPolarHBondContact O-CB 3.29Å; G249-F253 PolarHBondContact O-N 3.21Å; A250-F253 PolarHBondContact O-N 3.41Å; V251-F253 VanDerWaalsContact C-N 3.32Å; V251-F253 PolarHBondContact O-N 2.96Å; F253-E255 VanDerWaalsContact C-N 3.31Å; F253-E255 PolarHBondContact O-N 3.48Å; F253-L256 PolarHBondContact O-N 2.87Å; F253-L257 HydrophobicContact CD1-CD1 3.88Å; F253-L257 HydrophobicContact CD1-CG 4.49Å; F253-L257 HydrophobicContact CE1-CD1 3.37Å; F253-L257 HydrophobicContact CE1-CG 4.12Å; F253-L257 HydrophobicContact CE2-CD1 4.39Å; F253-L257 HydrophobicContact CE2-CG 4.28Å; F253-L257 HydrophobicContact CZ-CD1 3.66Å; F253-L257 HydrophobicContact CZ-CD2 4.24Å; F253-L257 HydrophobicContact CZ-CG 4Å; F253-L257 WeakPolarHBondContact O-CG 3.33Å; F253-L257 PolarHBondContact O-N 3.28Å
254A91.3Very high89.1Confident0 Ų047 Ų470%026%0.255CS..Hα-helixtrans-59.7-41.7175.700000112V232 F233 A250 V251 L257 S258V232-A254 HydrophobicContact CB-CB 4.19Å; V232-A254 HydrophobicContact CG1-CB 3.59Å; F233-A254 HydrophobicContact CD1-CB 4.26Å; F233-A254 HydrophobicContact CE1-CB 3.99Å; F233-A254 HydrophobicContact CE2-CB 4.29Å; F233-A254 HydrophobicContact CZ-CB 4Å; A250-A254 WeakPolarHBondContact O-CB 3.42Å; A250-A254 PolarHBondContact O-N 3.37Å; V251-A254 PolarHBondContact O-N 3.12Å; A254-L257 PolarHBondContact O-N 2.82Å; A254-S258 WeakPolarHBondContact O-CB 3.37Å; A254-S258 PolarHBondContact O-N 3.18Å; A254-S258 PolarHBondContact O-OG 3.38Å
255E91.3Very high89.4Confident12 Ų1245.9 Ų45.96%0.05624%0.243CC..Hα-helixtrans-72-36.8179.9-164.861.9-153.600111.6V251 I252 F253 S258 A259 R262 V309V251-E255 PolarHBondContact O-N 3.33Å; I252-E255 PolarHBondContact O-N 3.1Å; F253-E255 VanDerWaalsContact C-N 3.31Å; F253-E255 PolarHBondContact O-N 3.48Å; E255-S258 WeakPolarHBondContact O-CB 3.4Å; E255-S258 PolarHBondContact O-N 2.95Å; E255-A259 PolarHBondContact O-N 2.99Å; E255-R262 IonicContact OE1-NH1 2.77Å; E255-V309 HydrophobicContact CB-CG2 4.25Å; E255-V309 HydrophobicContact CG-CG2 4.36Å
256L92.7Very high89.7Confident78 Ų7845.2 Ų45.241%0.40823%0.234SC..Hα-helixtrans-64.3-42.7173.4-175.463.9000111.8I252 F253 S258 A259 L260 S302I252-L256 WeakPolarHBondContact O-CB 3.49Å; I252-L256 PolarHBondContact O-N 3.31Å; F253-L256 PolarHBondContact O-N 2.87Å; L256-S258 VanDerWaalsContact C-N 3.28Å; L256-S258 PolarHBondContact O-N 3.3Å; L256-A259 PolarHBondContact O-N 3.35Å; L256-L260 PolarHBondContact O-N 3.09Å; L256-S302 VanDerWaalsContact CD1-OG 3.26Å; L256-S302 WeakPolarHBondContact CD1-OG 3.46Å
257L93.4Very high90Very high17 Ų1738.4 Ų38.49%0.08921%0.209CC..Hα-helixtrans-59.9-40.6172.1-76.5175.8000111.6L228 V232 F253 A254 L260 K261L228-L257 HydrophobicContact CD2-CD1 3.65Å; L228-L257 HydrophobicContact CD2-CD2 3.78Å; L228-L257 HydrophobicContact CD2-CG 4.39Å; L228-L257 HydrophobicContact CG-CD1 3.68Å; V232-L257 HydrophobicContact CG2-CD1 4.18Å; F253-L257 HydrophobicContact CD1-CD1 3.88Å; F253-L257 HydrophobicContact CD1-CG 4.49Å; F253-L257 HydrophobicContact CE1-CD1 3.37Å; F253-L257 HydrophobicContact CE1-CG 4.12Å; F253-L257 HydrophobicContact CE2-CD1 4.39Å; F253-L257 HydrophobicContact CE2-CG 4.28Å; F253-L257 HydrophobicContact CZ-CD1 3.66Å; F253-L257 HydrophobicContact CZ-CD2 4.24Å; F253-L257 HydrophobicContact CZ-CG 4Å; F253-L257 WeakPolarHBondContact O-CG 3.33Å; F253-L257 PolarHBondContact O-N 3.28Å; A254-L257 PolarHBondContact O-N 2.82Å; L257-L260 PolarHBondContact O-N 3.44Å; L257-K261 WeakPolarHBondContact O-CB 3.34Å; L257-K261 PolarHBondContact O-N 3.34Å
258S91.8Very high90Very high0 Ų035.2 Ų35.20%019%0.189CC..Hα-helixtrans-62.9-43.7175.8-60.30000111.6E229 F233 A254 E255 L256 K261 R262E229-S258 VanDerWaalsContact CD-OG 3.26Å; E229-S258 VanDerWaalsContact CG-OG 3.3Å; E229-S258 WeakPolarHBondContact CG-OG 3.37Å; F233-S258 WeakPolarHBondContact CE2-OG 3.47Å; A254-S258 WeakPolarHBondContact O-CB 3.37Å; A254-S258 PolarHBondContact O-N 3.18Å; A254-S258 PolarHBondContact O-OG 3.38Å; E255-S258 WeakPolarHBondContact O-CB 3.4Å; E255-S258 PolarHBondContact O-N 2.95Å; L256-S258 VanDerWaalsContact C-N 3.28Å; L256-S258 PolarHBondContact O-N 3.3Å; S258-K261 PolarHBondContact O-N 2.84Å; S258-R262 WeakPolarHBondContact O-CB 3.44Å; S258-R262 WeakPolarHBondContact O-CG 3.18Å; S258-R262 PolarHBondContact O-N 3.33Å
259A92.6Very high89.8Confident0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-61.8-45.117600000111.6E255 L256 R262 S263 L298 S301E255-A259 PolarHBondContact O-N 2.99Å; L256-A259 PolarHBondContact O-N 3.35Å; A259-R262 PolarHBondContact O-N 3.09Å; A259-S263 WeakPolarHBondContact O-CB 3.37Å; A259-S263 PolarHBondContact O-N 3.11Å; A259-S263 PolarHBondContact O-OG 3.4Å; A259-L298 HydrophobicContact CB-CD1 4.38Å; A259-S301 WeakPolarHBondContact CB-OG 3.17Å
260L93.4Very high89.6Confident59 Ų5930.4 Ų30.431%0.30915%0.152SC..Hα-helixtrans-63.6-43.9176.3-177.362000112.5L225 L256 L257 S263 L264 L298L225-L260 HydrophobicContact CD2-CB 4.28Å; L225-L260 HydrophobicContact CD2-CD2 3.71Å; L225-L260 HydrophobicContact CD2-CG 3.65Å; L256-L260 PolarHBondContact O-N 3.09Å; L257-L260 PolarHBondContact O-N 3.44Å; L260-S263 PolarHBondContact O-N 3.37Å; L260-S263 PolarHBondContact O-OG 3.42Å; L260-L264 HydrophobicContact CD1-CD1 4.14Å; L260-L264 HydrophobicContact CD1-CG 4.22Å; L260-L264 HydrophobicContact CG-CD1 4.12Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 WeakPolarHBondContact O-CG 3.39Å; L260-L264 PolarHBondContact O-N 3.03Å; L260-L298 HydrophobicContact CB-CD1 4.18Å; L260-L298 HydrophobicContact CD1-CD1 4.15Å; L260-L298 HydrophobicContact CD1-CD2 4.02Å
261K92.9Very high89.2Confident7 Ų730.4 Ų30.43%0.0315%0.148CC..Hα-helixtrans-62.1-45.7175.6-174.5-162.964.7620111.1V222 L225 E229 L257 S258 S263 A265 F408V222-K261 HydrophobicContact CG1-CG 4.35Å; L225-K261 HydrophobicContact CB-CB 4.31Å; L225-K261 HydrophobicContact CB-CG 4.38Å; L225-K261 HydrophobicContact CD2-CB 4.45Å; E229-K261 VanDerWaalsContact OE2-CD 3.26Å; E229-K261 WeakPolarHBondContact OE2-CD 3.45Å; E229-K261 WeakPolarHBondContact OE2-CE 3.3Å; E229-K261 IonicContact OE2-NZ 3.27Å; L257-K261 WeakPolarHBondContact O-CB 3.34Å; L257-K261 PolarHBondContact O-N 3.34Å; S258-K261 PolarHBondContact O-N 2.84Å; K261-S263 VanDerWaalsContact C-N 3.35Å; K261-A265 VanDerWaalsContact O-CB 3.27Å; K261-A265 WeakPolarHBondContact O-CB 3.45Å; K261-A265 PolarHBondContact O-N 3.28Å; K261-F408 HydrophobicContact CD-CE1 3.96Å; K261-F408 HydrophobicContact CD-CZ 4.28Å; K261-F408 HydrophobicContact CG-CE1 4.44Å; K261-F408 HydrophobicContact CG-CZ 4.29Å; K261-F408 VanDerWaalsContact NZ-CD1 3.31Å
262R89.8Confident88.7Confident57 Ų5729.2 Ų29.222%0.21514%0.141CC..Hα-helixtrans-60.7-43.8178.7-74.2172.7-169.91579.4110.8E255 S258 A259 R266 Y297E255-R262 IonicContact OE1-NH1 2.77Å; S258-R262 WeakPolarHBondContact O-CB 3.44Å; S258-R262 WeakPolarHBondContact O-CG 3.18Å; S258-R262 PolarHBondContact O-N 3.33Å; A259-R262 PolarHBondContact O-N 3.09Å; R262-R266 VanDerWaalsContact O-CD 3.26Å; R262-R266 WeakPolarHBondContact O-CD 3.34Å; R262-R266 VanDerWaalsContact O-CG 3.3Å; R262-R266 WeakPolarHBondContact O-CG 3.22Å; R262-R266 PolarHBondContact O-N 3.36Å; R262-R266 VanDerWaalsContact O-N 3.13Å; R262-Y297 HydrophobicContact CB-CE1 4.21Å
263S91.4Very high87.9Confident3 Ų326.7 Ų26.72%0.02113%0.128CC..Hα-helixtrans-64.4-50.2179.569.50000112A259 L260 K261 A265 R266 I267 Y297A259-S263 WeakPolarHBondContact O-CB 3.37Å; A259-S263 PolarHBondContact O-N 3.11Å; A259-S263 PolarHBondContact O-OG 3.4Å; L260-S263 PolarHBondContact O-N 3.37Å; L260-S263 PolarHBondContact O-OG 3.42Å; K261-S263 VanDerWaalsContact C-N 3.35Å; S263-A265 VanDerWaalsContact C-N 3.32Å; S263-A265 PolarHBondContact O-N 3.05Å; S263-R266 PolarHBondContact O-N 2.9Å; S263-I267 VanDerWaalsContact O-CG1 3.29Å; S263-I267 WeakPolarHBondContact O-CG1 3.21Å; S263-I267 PolarHBondContact O-N 2.88Å; S263-Y297 VanDerWaalsContact CA-CD1 3.48Å; S263-Y297 VanDerWaalsContact CB-CD1 3.48Å
264L90.5Very high87.1Confident33 Ų3324.8 Ų24.817%0.17312%0.122CC..Hα-helixtrans-61.2-40.8179.2-71.3176.3000112.2W218 V222 L225 L260 R266 I267 L268W218-L264 HydrophobicContact CE3-CD2 4.25Å; W218-L264 HydrophobicContact CZ3-CD2 3.78Å; V222-L264 HydrophobicContact CG2-CB 3.89Å; L225-L264 HydrophobicContact CD2-CD1 3.72Å; L260-L264 HydrophobicContact CD1-CD1 4.14Å; L260-L264 HydrophobicContact CD1-CG 4.22Å; L260-L264 HydrophobicContact CG-CD1 4.12Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 WeakPolarHBondContact O-CG 3.39Å; L260-L264 PolarHBondContact O-N 3.03Å; L264-R266 PolarHBondContact O-N 3.01Å; L264-I267 PolarHBondContact O-N 2.88Å; L264-L268 VanDerWaalsContact O-CB 3.31Å; L264-L268 WeakPolarHBondContact O-CB 3.31Å; L264-L268 PolarHBondContact O-N 3.24Å
265A88.9Confident86.1Confident10 Ų1024.8 Ų24.88%0.08312%0.122CC..Hα-helixtrans-65.4-37.817800000112.9V222 K261 S263 L268 V269 F408V222-A265 HydrophobicContact CG1-CB 4.29Å; K261-A265 VanDerWaalsContact O-CB 3.27Å; K261-A265 WeakPolarHBondContact O-CB 3.45Å; K261-A265 PolarHBondContact O-N 3.28Å; S263-A265 VanDerWaalsContact C-N 3.32Å; S263-A265 PolarHBondContact O-N 3.05Å; A265-L268 WeakPolarHBondContact O-CB 3.07Å; A265-L268 PolarHBondContact O-N 2.81Å; A265-V269 WeakPolarHBondContact O-CG2 3.39Å; A265-V269 PolarHBondContact O-N 2.94Å; A265-F408 HydrophobicContact CB-CE2 3.35Å; A265-F408 HydrophobicContact CB-CZ 3.45Å; A265-F408 VanDerWaalsContact CB-CZ 3.45Å
266R86.8Confident85Confident75 Ų7527.1 Ų27.128%0.28313%0.131SC..Hα-helixtrans-68.5-42176.5-73.1158.8174.1-115.910.3112.1R262 S263 L264 L268 V269 L270 Y297 D329R262-R266 VanDerWaalsContact O-CD 3.26Å; R262-R266 WeakPolarHBondContact O-CD 3.34Å; R262-R266 VanDerWaalsContact O-CG 3.3Å; R262-R266 WeakPolarHBondContact O-CG 3.22Å; R262-R266 PolarHBondContact O-N 3.36Å; R262-R266 VanDerWaalsContact O-N 3.13Å; S263-R266 PolarHBondContact O-N 2.9Å; L264-R266 PolarHBondContact O-N 3.01Å; R266-L268 VanDerWaalsContact C-N 3.27Å; R266-L268 PolarHBondContact O-N 3.13Å; R266-V269 PolarHBondContact O-N 3.49Å; R266-L270 WeakPolarHBondContact O-CG 3.46Å; R266-L270 PolarHBondContact O-N 3.42Å; R266-Y297 VanDerWaalsContact CD-CE1 3.45Å; R266-Y297 PolarHBondContact NE-OH 3.18Å; R266-Y297 PolarHBondContact NH2-OH 3.17Å; R266-D329 IonicContact CZ-OD1 3.36Å; R266-D329 IonicContact CZ-OD2 3.42Å; R266-D329 IonicContact NH1-OD1 3.38Å; R266-D329 PolarHBondContact NH1-OD1 3.2Å; R266-D329 IonicContact NH1-OD2 3.61Å; R266-D329 PolarHBondContact NH1-OD2 3.47Å; R266-D329 IonicContact NH2-OD1 2.81Å; R266-D329 IonicContact NH2-OD2 3.38Å; R266-D329 PolarHBondContact NH2-OD2 3.45Å
267I86.6Confident83.5Confident34 Ų3424.6 Ų24.617%0.17412%0.123CC..Hα-helixtrans-58.9-43.7171.8-64.4163.4000109.6S263 L264 V269 L270 I271 L290 G294S263-I267 VanDerWaalsContact O-CG1 3.29Å; S263-I267 WeakPolarHBondContact O-CG1 3.21Å; S263-I267 PolarHBondContact O-N 2.88Å; L264-I267 PolarHBondContact O-N 2.88Å; I267-V269 PolarHBondContact O-N 3.3Å; I267-L270 WeakPolarHBondContact O-CB 3.39Å; I267-L270 PolarHBondContact O-N 3.31Å; I267-I271 HydrophobicContact CG2-CD1 3.86Å; I267-I271 HydrophobicContact CG2-CG1 4.3Å; I267-I271 VanDerWaalsContact O-CG1 3.27Å; I267-I271 WeakPolarHBondContact O-CG1 3.41Å; I267-I271 PolarHBondContact O-N 3.03Å; I267-L290 HydrophobicContact CG2-CD1 4.36Å; I267-L290 HydrophobicContact CG2-CD2 3.98Å; I267-L290 HydrophobicContact CG2-CG 4.02Å; I267-G294 VanDerWaalsContact CD1-CA 3.44Å
268L85.8Confident81.6Confident12 Ų1226.5 Ų26.56%0.06313%0.133CC..Hα-helixtrans-60.4-46.9178.3-167.4152.2000111.8W218 I219 V222 L264 A265 R266 L270 I271 V272 I415W218-L268 HydrophobicContact CB-CD1 4.45Å; I219-L268 HydrophobicContact CB-CD1 4.36Å; I219-L268 HydrophobicContact CG1-CD1 3.68Å; I219-L268 HydrophobicContact CG1-CD2 4.38Å; I219-L268 HydrophobicContact CG1-CG 4.47Å; V222-L268 HydrophobicContact CG2-CD1 4.2Å; L264-L268 VanDerWaalsContact O-CB 3.31Å; L264-L268 WeakPolarHBondContact O-CB 3.31Å; L264-L268 PolarHBondContact O-N 3.24Å; A265-L268 WeakPolarHBondContact O-CB 3.07Å; A265-L268 PolarHBondContact O-N 2.81Å; R266-L268 VanDerWaalsContact C-N 3.27Å; R266-L268 PolarHBondContact O-N 3.13Å; L268-L270 VanDerWaalsContact C-N 3.3Å; L268-L270 PolarHBondContact O-N 3.09Å; L268-I271 PolarHBondContact O-N 3.37Å; L268-V272 HydrophobicContact CD2-CG2 4.06Å; L268-V272 VanDerWaalsContact O-CG2 3.3Å; L268-V272 WeakPolarHBondContact O-CG2 3.22Å; L268-V272 PolarHBondContact O-N 2.87Å; L268-I415 HydrophobicContact CD2-CD1 4.42Å; L268-I415 HydrophobicContact CD2-CG2 3.99Å
269V82.1Confident79.8Confident14 Ų1427.4 Ų27.49%0.08514%0.139CC..Hα-helixtrans-61.4-39.3175.9173.90000111.4A265 R266 I267 V272 S273 L367 M411 I415A265-V269 WeakPolarHBondContact O-CG2 3.39Å; A265-V269 PolarHBondContact O-N 2.94Å; R266-V269 PolarHBondContact O-N 3.49Å; I267-V269 PolarHBondContact O-N 3.3Å; V269-V272 PolarHBondContact O-N 3.44Å; V269-S273 VanDerWaalsContact O-CB 3.31Å; V269-S273 WeakPolarHBondContact O-CB 3.25Å; V269-S273 PolarHBondContact O-N 2.93Å; V269-S273 PolarHBondContact O-OG 2.85Å; V269-L367 HydrophobicContact CG1-CD1 4.12Å; V269-M411 HydrophobicContact CB-CE 4.45Å; V269-M411 HydrophobicContact CG1-CE 4.13Å; V269-M411 HydrophobicContact CG2-CE 3.44Å; V269-M411 VanDerWaalsContact CG2-CE 3.44Å; V269-I415 HydrophobicContact CG2-CD1 4.06Å
270L81.8Confident78Confident16 Ų1633.8 Ų33.88%0.08416%0.163CC..Hα-helixtrans-60.5-49173.7-81.2161.9000111.9R266 I267 L268 V272 S273 L274 L290 V332 I336R266-L270 WeakPolarHBondContact O-CG 3.46Å; R266-L270 PolarHBondContact O-N 3.42Å; I267-L270 WeakPolarHBondContact O-CB 3.39Å; I267-L270 PolarHBondContact O-N 3.31Å; L268-L270 VanDerWaalsContact C-N 3.3Å; L268-L270 PolarHBondContact O-N 3.09Å; L270-V272 VanDerWaalsContact C-N 3.32Å; L270-V272 PolarHBondContact O-N 3.2Å; L270-S273 PolarHBondContact O-N 3.43Å; L270-L274 WeakPolarHBondContact O-CB 3.43Å; L270-L274 WeakPolarHBondContact O-CD1 3.25Å; L270-L274 VanDerWaalsContact O-CG 3.3Å; L270-L274 WeakPolarHBondContact O-CG 3.32Å; L270-L274 PolarHBondContact O-N 2.94Å; L270-L290 HydrophobicContact CB-CD1 3.87Å; L270-L290 HydrophobicContact CD1-CD1 3.75Å; L270-L290 HydrophobicContact CG-CD1 4.37Å; L270-V332 HydrophobicContact CD1-CG1 4.17Å; L270-V332 HydrophobicContact CD2-CG1 4.18Å; L270-V332 HydrophobicContact CG-CG1 4.35Å; L270-I336 HydrophobicContact CD2-CD1 3.62Å; L270-I336 HydrophobicContact CD2-CG1 3.35Å; L270-I336 HydrophobicContact CG-CD1 3.9Å; L270-I336 HydrophobicContact CG-CG1 4.15Å
271I80.2Confident76.1Confident25 Ų2535.9 Ų35.913%0.12818%0.18CC..Hα-helixtrans-58.1-46.2178.6-68.8174.5000110.9I215 I267 L268 L274 Y276 L290I215-I271 HydrophobicContact CD1-CB 4.48Å; I215-I271 HydrophobicContact CD1-CG2 3.55Å; I215-I271 HydrophobicContact CG1-CG2 4.39Å; I267-I271 HydrophobicContact CG2-CD1 3.86Å; I267-I271 HydrophobicContact CG2-CG1 4.3Å; I267-I271 VanDerWaalsContact O-CG1 3.27Å; I267-I271 WeakPolarHBondContact O-CG1 3.41Å; I267-I271 PolarHBondContact O-N 3.03Å; L268-I271 PolarHBondContact O-N 3.37Å; I271-L274 PolarHBondContact O-N 3.26Å; I271-Y276 HydrophobicContact CG2-CD1 3.41Å; I271-Y276 VanDerWaalsContact CG2-CD1 3.41Å; I271-Y276 HydrophobicContact CG2-CE1 4.47Å; I271-Y276 HydrophobicContact CG2-CG 3.92Å; I271-Y276 PolarHBondContact O-N 2.86Å; I271-L290 HydrophobicContact CD1-CD2 3.9Å; I271-L290 HydrophobicContact CG1-CD2 3.32Å
272V77Confident74.5Confident9 Ų945.4 Ų45.46%0.05522%0.216CC..Hα-helixtrans-64.9-41.7178.8175.90000110.8I215 L268 V269 L270 L274 G275 Y360 F363 L419I215-V272 HydrophobicContact CD1-CG2 3.88Å; L268-V272 HydrophobicContact CD2-CG2 4.06Å; L268-V272 VanDerWaalsContact O-CG2 3.3Å; L268-V272 WeakPolarHBondContact O-CG2 3.22Å; L268-V272 PolarHBondContact O-N 2.87Å; V269-V272 PolarHBondContact O-N 3.44Å; L270-V272 VanDerWaalsContact C-N 3.32Å; L270-V272 PolarHBondContact O-N 3.2Å; V272-L274 PolarHBondContact O-N 2.85Å; V272-G275 PolarHBondContact O-N 3.38Å; V272-Y360 PolarHBondContact O-OH 3.26Å; V272-F363 HydrophobicContact CB-CZ 4.15Å; V272-F363 HydrophobicContact CG1-CD1 4.38Å; V272-F363 HydrophobicContact CG1-CD2 4.15Å; V272-F363 HydrophobicContact CG1-CE1 3.91Å; V272-F363 HydrophobicContact CG1-CE2 3.66Å; V272-F363 HydrophobicContact CG1-CG 4.49Å; V272-F363 HydrophobicContact CG1-CZ 3.52Å; V272-L419 HydrophobicContact CG1-CD1 4.42Å; V272-L419 HydrophobicContact CG2-CD2 3.74Å
273S75.3Confident73Confident0 Ų044.2 Ų44.20%021%0.214CC..Hα-helixtrans-68.4-22.7179-550000113.5V269 L270 S340V269-S273 VanDerWaalsContact O-CB 3.31Å; V269-S273 WeakPolarHBondContact O-CB 3.25Å; V269-S273 PolarHBondContact O-N 2.93Å; V269-S273 PolarHBondContact O-OG 2.85Å; L270-S273 PolarHBondContact O-N 3.43Å; S273-S340 VanDerWaalsContact C-OG 3.23Å; S273-S340 PolarHBondContact O-OG 3.01Å
274L73.1Confident72Confident60 Ų6046.7 Ų46.731%0.31424%0.239SC..THydrogen-bonded Turntrans-82.8-8.8176.8-75.7163.6000113.5L270 I271 V272 S340L270-L274 WeakPolarHBondContact O-CB 3.43Å; L270-L274 WeakPolarHBondContact O-CD1 3.25Å; L270-L274 VanDerWaalsContact O-CG 3.3Å; L270-L274 WeakPolarHBondContact O-CG 3.32Å; L270-L274 PolarHBondContact O-N 2.94Å; I271-L274 PolarHBondContact O-N 3.26Å; V272-L274 PolarHBondContact O-N 2.85Å; L274-S340 WeakPolarHBondContact CA-OG 3.31Å; L274-S340 VanDerWaalsContact CD2-OG 3.3Å; L274-S340 WeakPolarHBondContact CD2-OG 3.41Å; L274-S340 PolarHBondContact N-OG 3.4Å
275G70.3Confident71.2Confident0 Ų050.1 Ų50.10%026%0.261CS..THydrogen-bonded Turntrans90.16.7-178.500000115.4V272 G277 I278 V279 Y360V272-G275 PolarHBondContact O-N 3.38Å; G275-G277 PolarHBondContact O-N 3.43Å; G275-I278 PolarHBondContact O-N 2.92Å; G275-I278 VanDerWaalsContact O-N 3.16Å; G275-V279 PolarHBondContact O-N 3.01Å; G275-Y360 VanDerWaalsContact CA-OH 3.24Å; G275-Y360 WeakPolarHBondContact CA-OH 3.44Å
276Y68.3Low70.8Confident61 Ų6152.5 Ų52.524%0.23928%0.275CS..BIsolated β-bridgetrans-65.2134.4-173.7-176.4-126.7000112.1I271 I278 L283I271-Y276 HydrophobicContact CG2-CD1 3.41Å; I271-Y276 VanDerWaalsContact CG2-CD1 3.41Å; I271-Y276 HydrophobicContact CG2-CE1 4.47Å; I271-Y276 HydrophobicContact CG2-CG 3.92Å; I271-Y276 PolarHBondContact O-N 2.86Å; Y276-I278 VanDerWaalsContact C-N 3.32Å; Y276-L283 HydrophobicContact CD1-CD1 4.22Å; Y276-L283 HydrophobicContact CD2-CD1 2.96Å; Y276-L283 HydrophobicContact CD2-CG 4.28Å; Y276-L283 HydrophobicContact CE2-CB 4.37Å; Y276-L283 HydrophobicContact CE2-CD1 3.53Å; Y276-L283 HydrophobicContact CG-CD1 3.32Å
277G61.7Low70.5Confident24 Ų2452.2 Ų52.225%0.24728%0.282CS..THydrogen-bonded Turntrans87.5-10.6-175.800000114.5G275G275-G277 PolarHBondContact O-N 3.43Å
278I53.2Low70.5Confident57 Ų5757.7 Ų57.729%0.29231%0.306SS..THydrogen-bonded Turntrans-123.7-37.4-179.2-60.3175000113.1G275 Y276 K356 Y360G275-I278 PolarHBondContact O-N 2.92Å; G275-I278 VanDerWaalsContact O-N 3.16Å; Y276-I278 VanDerWaalsContact C-N 3.32Å; I278-K356 HydrophobicContact CG2-CB 4.44Å; I278-K356 HydrophobicContact CG2-CD 3.56Å; I278-K356 HydrophobicContact CG2-CG 4.05Å; I278-K356 PolarHBondContact O-NZ 3.49Å; I278-Y360 HydrophobicContact CB-CE2 4.41Å; I278-Y360 HydrophobicContact CD1-CE2 3.8Å; I278-Y360 HydrophobicContact CG2-CE2 4.22Å
279V53.4Low70.4Confident20 Ų2065.6 Ų65.612%0.12134%0.335CS..THydrogen-bonded Turntrans-113.4-37.2-172.5-175.20000113G275 L347 L348G275-V279 PolarHBondContact O-N 3.01Å; V279-L347 HydrophobicContact CG1-CD2 3.59Å; V279-L348 HydrophobicContact CG2-CD1 4.33Å; V279-L348 HydrophobicContact CG2-CD2 3.94Å; V279-L348 HydrophobicContact CG2-CG 4.29Å
280R55.7Low70.5Confident134 Ų13465.8 Ų65.851%0.50634%0.336SS..BIsolated β-bridgetrans-127.6117.3175.4-67.7-88-173.7173.4-3108.1R282R280-R282 PolarHBondContact O-N 2.84Å
281P54.4Low70.8Confident102 Ų10267.8 Ų67.866%0.66236%0.355SS*.SBendtrans-70.5-19.1-176.626.1-32.3000113
282R57.5Low71.2Confident207 Ų20769.4 Ų69.478%0.78137%0.371SS*.  trans-132.1123.9179.2-60.6-179.8-178.7153.71109.6R280 G284R280-R282 PolarHBondContact O-N 2.84Å; R282-G284 PolarHBondContact O-N 3.39Å
283L58.3Low71.7Confident33 Ų3372 Ų7217%0.17339%0.388CS..  trans-77.9112.1156.9-98.169.6000104.5Y276 V287 L290Y276-L283 HydrophobicContact CD1-CD1 4.22Å; Y276-L283 HydrophobicContact CD2-CD1 2.96Å; Y276-L283 HydrophobicContact CD2-CG 4.28Å; Y276-L283 HydrophobicContact CE2-CB 4.37Å; Y276-L283 HydrophobicContact CE2-CD1 3.53Å; Y276-L283 HydrophobicContact CG-CD1 3.32Å; L283-V287 HydrophobicContact CB-CG2 3.29Å; L283-V287 HydrophobicContact CD2-CG2 4.03Å; L283-V287 HydrophobicContact CG-CG2 4.29Å; L283-V287 VanDerWaalsContact O-CG2 3.31Å; L283-V287 WeakPolarHBondContact O-CG2 3.38Å; L283-L290 HydrophobicContact CD2-CD2 4.5Å
284G71Confident72.3Confident54 Ų5472.3 Ų72.356%0.55739%0.39SS*.  trans-72.2-121.2171.700000110.9R282 T286 V287R282-G284 PolarHBondContact O-N 3.39Å; G284-T286 PolarHBondContact O-N 3.3Å; G284-V287 PolarHBondContact O-N 3.4Å
285T75.1Confident73.1Confident105 Ų10574.5 Ų74.564%0.64440%0.402SS*.THydrogen-bonded Turntrans-60.2-14.8179.958.10000114.5V287 H288T285-V287 VanDerWaalsContact C-N 3.32Å; T285-V287 PolarHBondContact O-N 3.47Å; T285-H288 PolarHBondContact O-N 3Å
286T78.5Confident74Confident60 Ų6078.5 Ų78.537%0.36842%0.423SS..Hα-helixtrans-65.8-26.8177.6-37.40000113.6G284 H288 R289 L290G284-T286 PolarHBondContact O-N 3.3Å; T286-H288 VanDerWaalsContact C-N 3.33Å; T286-H288 PolarHBondContact O-N 2.89Å; T286-R289 PolarHBondContact O-N 3.47Å; T286-L290 PolarHBondContact O-N 3.33Å
287V82.1Confident75.1Confident69 Ų6976.1 Ų76.142%0.41841%0.413SS..Hα-helixtrans-60.4-44.4178.6-176.80000111L283 G284 T285 R289 L290 A291L283-V287 HydrophobicContact CB-CG2 3.29Å; L283-V287 HydrophobicContact CD2-CG2 4.03Å; L283-V287 HydrophobicContact CG-CG2 4.29Å; L283-V287 VanDerWaalsContact O-CG2 3.31Å; L283-V287 WeakPolarHBondContact O-CG2 3.38Å; G284-V287 PolarHBondContact O-N 3.4Å; T285-V287 VanDerWaalsContact C-N 3.32Å; T285-V287 PolarHBondContact O-N 3.47Å; V287-R289 VanDerWaalsContact C-N 3.32Å; V287-R289 PolarHBondContact O-N 2.82Å; V287-L290 PolarHBondContact O-N 3.27Å; V287-A291 VanDerWaalsContact O-CB 3.32Å; V287-A291 WeakPolarHBondContact O-CB 3.15Å; V287-A291 PolarHBondContact O-N 2.92Å
288H85.4Confident76.6Confident150 Ų15077 Ų7769%0.69441%0.412SS*.Hα-helixtrans-64.7-38-179.6-67.7-71.2000111.9T285 T286 A291 A292T285-H288 PolarHBondContact O-N 3Å; T286-H288 VanDerWaalsContact C-N 3.33Å; T286-H288 PolarHBondContact O-N 2.89Å; H288-A291 PolarHBondContact O-N 3.2Å; H288-A292 WeakPolarHBondContact O-CB 3.08Å; H288-A292 PolarHBondContact O-N 3Å
289R84.9Confident78.4Confident177 Ų17779.3 Ų79.367%0.66842%0.424SS*.Hα-helixtrans-63.1-45.6174.7-62.7-176.7-177.4174.43.2111.1T286 V287 A292 V293T286-R289 PolarHBondContact O-N 3.47Å; V287-R289 VanDerWaalsContact C-N 3.32Å; V287-R289 PolarHBondContact O-N 2.82Å; R289-A292 PolarHBondContact O-N 3.25Å; R289-V293 WeakPolarHBondContact O-CG2 3.29Å; R289-V293 PolarHBondContact O-N 3.05Å
290L84.4Confident80.1Confident19 Ų1981.8 Ų81.810%0.09943%0.434CS..Hα-helixtrans-67.4-39.4179-176.462.5000112.5I267 L270 I271 L283 T286 V287 A292 V293 G294I267-L290 HydrophobicContact CG2-CD1 4.36Å; I267-L290 HydrophobicContact CG2-CD2 3.98Å; I267-L290 HydrophobicContact CG2-CG 4.02Å; L270-L290 HydrophobicContact CB-CD1 3.87Å; L270-L290 HydrophobicContact CD1-CD1 3.75Å; L270-L290 HydrophobicContact CG-CD1 4.37Å; I271-L290 HydrophobicContact CD1-CD2 3.9Å; I271-L290 HydrophobicContact CG1-CD2 3.32Å; L283-L290 HydrophobicContact CD2-CD2 4.5Å; T286-L290 PolarHBondContact O-N 3.33Å; V287-L290 PolarHBondContact O-N 3.27Å; L290-A292 VanDerWaalsContact C-N 3.34Å; L290-V293 PolarHBondContact O-N 3.42Å; L290-G294 PolarHBondContact O-N 3.29Å
291A86.9Confident81.7Confident58 Ų5875.4 Ų75.448%0.47941%0.41SS..Hα-helixtrans-62.8-40.8174.200000111.4V287 H288 G294 L295V287-A291 VanDerWaalsContact O-CB 3.32Å; V287-A291 WeakPolarHBondContact O-CB 3.15Å; V287-A291 PolarHBondContact O-N 2.92Å; H288-A291 PolarHBondContact O-N 3.2Å; A291-G294 PolarHBondContact O-N 3.02Å; A291-L295 WeakPolarHBondContact O-CB 3.39Å; A291-L295 PolarHBondContact O-N 3.47Å
292A88.4Confident83.4Confident58 Ų5872 Ų7248%0.47939%0.388SS..Hα-helixtrans-62.9-45.1175.700000112H288 R289 L290 G294 L295 L296H288-A292 WeakPolarHBondContact O-CB 3.08Å; H288-A292 PolarHBondContact O-N 3Å; R289-A292 PolarHBondContact O-N 3.25Å; L290-A292 VanDerWaalsContact C-N 3.34Å; A292-G294 VanDerWaalsContact C-N 3.32Å; A292-G294 PolarHBondContact O-N 2.87Å; A292-L295 PolarHBondContact O-N 2.98Å; A292-L296 WeakPolarHBondContact O-CB 3.32Å; A292-L296 PolarHBondContact O-N 3.35Å
293V86.9Confident84.9Confident65 Ų6565.5 Ų65.539%0.39437%0.371SS..Hα-helixtrans-61.5-43.1174.5173.60000110.9R289 L290 L296 Y297R289-V293 WeakPolarHBondContact O-CG2 3.29Å; R289-V293 PolarHBondContact O-N 3.05Å; L290-V293 PolarHBondContact O-N 3.42Å; V293-L296 PolarHBondContact O-N 3.24Å; V293-Y297 WeakPolarHBondContact O-CB 3.48Å; V293-Y297 PolarHBondContact O-N 3.08Å
294G88.5Confident86.2Confident6 Ų664.1 Ų64.16%0.06236%0.364CS..Hα-helixtrans-61.6-44.4177.200000113.7I267 L290 A291 A292 Y297 L298I267-G294 VanDerWaalsContact CD1-CA 3.44Å; L290-G294 PolarHBondContact O-N 3.29Å; A291-G294 PolarHBondContact O-N 3.02Å; A292-G294 VanDerWaalsContact C-N 3.32Å; A292-G294 PolarHBondContact O-N 2.87Å; G294-Y297 PolarHBondContact O-N 3.02Å; G294-L298 WeakPolarHBondContact O-CB 3.45Å; G294-L298 PolarHBondContact O-N 3.36Å
295L90.8Very high86.9Confident105 Ų10561.6 Ų61.655%0.5534%0.338SS..Hα-helixtrans-65-45.7177.1-179.464.3000111.2A291 A292 Y297 L298 L299A291-L295 WeakPolarHBondContact O-CB 3.39Å; A291-L295 PolarHBondContact O-N 3.47Å; A292-L295 PolarHBondContact O-N 2.98Å; L295-Y297 VanDerWaalsContact C-N 3.33Å; L295-Y297 PolarHBondContact O-N 3.2Å; L295-L298 WeakPolarHBondContact O-CB 3.18Å; L295-L298 PolarHBondContact O-N 3.25Å; L295-L299 HydrophobicContact CG-CD1 4.43Å; L295-L299 WeakPolarHBondContact O-CG 3.4Å; L295-L299 PolarHBondContact O-N 3.13Å
296L89.6Confident87.5Confident84 Ų8458.9 Ų58.944%0.4432%0.321SS..Hα-helixtrans-60.7-44.1177.8-173.2139.9000110.9A292 V293 L298 L299 F300 I328A292-L296 WeakPolarHBondContact O-CB 3.32Å; A292-L296 PolarHBondContact O-N 3.35Å; V293-L296 PolarHBondContact O-N 3.24Å; L296-L298 PolarHBondContact O-N 3.04Å; L296-L299 PolarHBondContact O-N 3.24Å; L296-F300 HydrophobicContact CD1-CE2 4.32Å; L296-F300 HydrophobicContact CD2-CD2 3.66Å; L296-F300 HydrophobicContact CD2-CE2 3.64Å; L296-F300 HydrophobicContact CG-CD2 3.93Å; L296-F300 HydrophobicContact CG-CE2 3.73Å; L296-F300 VanDerWaalsContact O-CD2 3.23Å; L296-F300 WeakPolarHBondContact O-CD2 3.42Å; L296-F300 PolarHBondContact O-N 2.93Å; L296-F300 VanDerWaalsContact O-N 3.11Å; L296-I328 HydrophobicContact CD2-CD1 3.56Å; L296-I328 HydrophobicContact CD2-CG1 4.36Å
297Y90.4Very high87.8Confident12 Ų1256.8 Ų56.85%0.04731%0.308CS..Hα-helixtrans-62.6-41.5175-178.5-89.7000112.5R262 S263 R266 V293 G294 L295 L299 S301 L325 I328 D329R262-Y297 HydrophobicContact CB-CE1 4.21Å; S263-Y297 VanDerWaalsContact CA-CD1 3.48Å; S263-Y297 VanDerWaalsContact CB-CD1 3.48Å; R266-Y297 VanDerWaalsContact CD-CE1 3.45Å; R266-Y297 PolarHBondContact NE-OH 3.18Å; R266-Y297 PolarHBondContact NH2-OH 3.17Å; V293-Y297 WeakPolarHBondContact O-CB 3.48Å; V293-Y297 PolarHBondContact O-N 3.08Å; G294-Y297 PolarHBondContact O-N 3.02Å; L295-Y297 VanDerWaalsContact C-N 3.33Å; L295-Y297 PolarHBondContact O-N 3.2Å; Y297-L299 VanDerWaalsContact C-N 3.34Å; Y297-L299 PolarHBondContact O-N 3.02Å; Y297-S301 WeakPolarHBondContact O-CB 3.26Å; Y297-S301 PolarHBondContact O-N 2.77Å; Y297-L325 HydrophobicContact CD2-CD1 4.25Å; Y297-L325 HydrophobicContact CE2-CD1 3.74Å; Y297-L325 HydrophobicContact CE2-CG 4.09Å; Y297-I328 HydrophobicContact CD2-CG2 4.27Å; Y297-D329 WeakPolarHBondContact CE2-OD1 3.41Å
298L92.4Very high87.7Confident42 Ų4260.1 Ų60.122%0.2231%0.313CS..Hα-helixtrans-61-42.5176.6178.859.7000111.8A259 L260 G294 L295 L296 S302A259-L298 HydrophobicContact CB-CD1 4.38Å; L260-L298 HydrophobicContact CB-CD1 4.18Å; L260-L298 HydrophobicContact CD1-CD1 4.15Å; L260-L298 HydrophobicContact CD1-CD2 4.02Å; G294-L298 WeakPolarHBondContact O-CB 3.45Å; G294-L298 PolarHBondContact O-N 3.36Å; L295-L298 WeakPolarHBondContact O-CB 3.18Å; L295-L298 PolarHBondContact O-N 3.25Å; L296-L298 PolarHBondContact O-N 3.04Å; L298-S302 WeakPolarHBondContact O-CB 3.48Å; L298-S302 PolarHBondContact O-N 3.38Å
299L91.3Very high87.4Confident105 Ų10555 Ų5555%0.5529%0.292SS..Hα-helixtrans-62.3-53.3178.3-69.8172.2000111.3L295 L296 Y297 S301 S302 V303L295-L299 HydrophobicContact CG-CD1 4.43Å; L295-L299 WeakPolarHBondContact O-CG 3.4Å; L295-L299 PolarHBondContact O-N 3.13Å; L296-L299 PolarHBondContact O-N 3.24Å; Y297-L299 VanDerWaalsContact C-N 3.34Å; Y297-L299 PolarHBondContact O-N 3.02Å; L299-S301 PolarHBondContact O-N 2.74Å; L299-S302 PolarHBondContact O-N 3.16Å; L299-V303 WeakPolarHBondContact O-CG2 3.5Å; L299-V303 PolarHBondContact O-N 2.77Å
300F89.8Confident87Confident72 Ų7249.3 Ų49.332%0.31628%0.277SS..Hα-helixtrans-63.4-40.8179.2-77-69.8000112.3L296 S302 V303 D304 L325 I328L296-F300 HydrophobicContact CD1-CE2 4.32Å; L296-F300 HydrophobicContact CD2-CD2 3.66Å; L296-F300 HydrophobicContact CD2-CE2 3.64Å; L296-F300 HydrophobicContact CG-CD2 3.93Å; L296-F300 HydrophobicContact CG-CE2 3.73Å; L296-F300 VanDerWaalsContact O-CD2 3.23Å; L296-F300 WeakPolarHBondContact O-CD2 3.42Å; L296-F300 PolarHBondContact O-N 2.93Å; L296-F300 VanDerWaalsContact O-N 3.11Å; F300-S302 PolarHBondContact O-N 2.72Å; F300-V303 PolarHBondContact O-N 3.35Å; F300-D304 WeakPolarHBondContact O-CB 3.25Å; F300-D304 PolarHBondContact O-N 3.1Å; F300-L325 HydrophobicContact CB-CD1 3.99Å; F300-I328 HydrophobicContact CD2-CD1 3.82Å; F300-I328 HydrophobicContact CE2-CD1 4.27Å; F300-I328 HydrophobicContact CG-CD1 4.39Å
301S89Confident86.1Confident1 Ų151.6 Ų51.61%0.00731%0.306CS..Hα-helixtrans-67.6-34.2177.6-175.80000112.8A259 Y297 L299 G305A259-S301 WeakPolarHBondContact CB-OG 3.17Å; Y297-S301 WeakPolarHBondContact O-CB 3.26Å; Y297-S301 PolarHBondContact O-N 2.77Å; L299-S301 PolarHBondContact O-N 2.74Å; S301-G305 PolarHBondContact O-N 3.29Å; S301-G305 VanDerWaalsContact O-N 3.07Å
302S90.6Very high84.3Confident30 Ų3051.5 Ų51.521%0.2131%0.31CS..Hα-helixtrans-69.6-45.7176.7179.10000110.9L256 L298 L299 F300 D304 G305 V306L256-S302 VanDerWaalsContact CD1-OG 3.26Å; L256-S302 WeakPolarHBondContact CD1-OG 3.46Å; L298-S302 WeakPolarHBondContact O-CB 3.48Å; L298-S302 PolarHBondContact O-N 3.38Å; L299-S302 PolarHBondContact O-N 3.16Å; F300-S302 PolarHBondContact O-N 2.72Å; S302-D304 PolarHBondContact O-N 3.36Å; S302-G305 PolarHBondContact O-N 2.98Å; S302-V306 WeakPolarHBondContact O-CG2 3.46Å; S302-V306 PolarHBondContact O-N 2.87Å
303V88.9Confident82.5Confident70 Ų7055.1 Ų55.142%0.42432%0.315SS..Hα-helixtrans-59.9-48.5176.51720000110.6L299 F300 G305 V306 L307 A321L299-V303 WeakPolarHBondContact O-CG2 3.5Å; L299-V303 PolarHBondContact O-N 2.77Å; F300-V303 PolarHBondContact O-N 3.35Å; V303-G305 VanDerWaalsContact C-N 3.31Å; V303-G305 PolarHBondContact O-N 3.44Å; V303-V306 PolarHBondContact O-N 3.38Å; V303-L307 HydrophobicContact CG1-CD1 3.64Å; V303-L307 HydrophobicContact CG1-CG 4.16Å; V303-L307 VanDerWaalsContact O-CB 3.3Å; V303-L307 WeakPolarHBondContact O-CB 3.36Å; V303-L307 WeakPolarHBondContact O-CG 3.35Å; V303-L307 PolarHBondContact O-N 3.18Å; V303-A321 HydrophobicContact CG1-CB 4.38Å
304D85.8Confident81Confident4 Ų462 Ų622%0.02134%0.335CS..Hα-helixtrans-58-44176.3-179.864000112.3F300 S302 L307 R308 A321 N322F300-D304 WeakPolarHBondContact O-CB 3.25Å; F300-D304 PolarHBondContact O-N 3.1Å; S302-D304 PolarHBondContact O-N 3.36Å; D304-L307 PolarHBondContact O-N 2.6Å; D304-R308 WeakPolarHBondContact O-CB 3.45Å; D304-R308 PolarHBondContact O-N 2.81Å; D304-R308 IonicContact OD2-CZ 3.56Å; D304-R308 IonicContact OD2-NE 2.6Å; D304-R308 IonicContact OD2-NH2 3.18Å; D304-R308 PolarHBondContact OD2-NH2 3.47Å; D304-A321 HydrophobicContact CB-CB 4.46Å; D304-N322 PolarHBondContact OD1-ND2 3.29Å; D304-N322 PolarHBondContact OD1-OD1 3.47Å; D304-N322 VanDerWaalsContact OD1-OD1 3.09Å
305G85.4Confident79.9Confident1 Ų164.3 Ų64.31%0.0136%0.359CS..Hα-helixtrans-59.5-51177.200000113.3S301 S302 V303 L307 R308 V309S301-G305 PolarHBondContact O-N 3.29Å; S301-G305 VanDerWaalsContact O-N 3.07Å; S302-G305 PolarHBondContact O-N 2.98Å; V303-G305 VanDerWaalsContact C-N 3.31Å; V303-G305 PolarHBondContact O-N 3.44Å; G305-L307 VanDerWaalsContact C-N 3.35Å; G305-L307 PolarHBondContact O-N 3.48Å; G305-R308 WeakPolarHBondContact O-CB 3.3Å; G305-R308 PolarHBondContact O-N 2.92Å; G305-V309 WeakPolarHBondContact O-CG2 3.5Å; G305-V309 PolarHBondContact O-N 2.94Å
306V86.8Confident79.1Confident48 Ų4864.2 Ų64.229%0.29136%0.364SS..Hα-helixtrans-65-39.7179.7175.20000111.5I252 S302 V303 R308 V309 T310I252-V306 HydrophobicContact CG2-CG2 4.37Å; S302-V306 WeakPolarHBondContact O-CG2 3.46Å; S302-V306 PolarHBondContact O-N 2.87Å; V303-V306 PolarHBondContact O-N 3.38Å; V306-R308 VanDerWaalsContact C-N 3.31Å; V306-R308 PolarHBondContact O-N 2.98Å; V306-V309 PolarHBondContact O-N 2.84Å; V306-T310 HydrophobicContact CG1-CG2 4.26Å; V306-T310 WeakPolarHBondContact O-CB 3.38Å; V306-T310 PolarHBondContact O-N 2.98Å; V306-T310 PolarHBondContact O-OG1 2.7Å
307L84.7Confident78.5Confident17 Ų1764 Ų649%0.08937%0.366CS..Hα-helixtrans-62.8-39.2176.8-73177.1000111.8V303 D304 G305 V309 G311 F313 V317 A318 A321V303-L307 HydrophobicContact CG1-CD1 3.64Å; V303-L307 HydrophobicContact CG1-CG 4.16Å; V303-L307 VanDerWaalsContact O-CB 3.3Å; V303-L307 WeakPolarHBondContact O-CB 3.36Å; V303-L307 WeakPolarHBondContact O-CG 3.35Å; V303-L307 PolarHBondContact O-N 3.18Å; D304-L307 PolarHBondContact O-N 2.6Å; G305-L307 VanDerWaalsContact C-N 3.35Å; G305-L307 PolarHBondContact O-N 3.48Å; L307-V309 VanDerWaalsContact C-N 3.35Å; L307-V309 PolarHBondContact O-N 3.34Å; L307-G311 PolarHBondContact O-N 3.06Å; L307-F313 HydrophobicContact CD2-CB 3.69Å; L307-F313 HydrophobicContact CD2-CD2 3.44Å; L307-F313 VanDerWaalsContact CD2-CD2 3.44Å; L307-F313 HydrophobicContact CD2-CE2 4.38Å; L307-F313 HydrophobicContact CD2-CG 3.85Å; L307-V317 HydrophobicContact CD1-CG1 3.95Å; L307-A318 HydrophobicContact CD1-CB 4.39Å; L307-A321 HydrophobicContact CD1-CB 4.23Å
308R79.8Confident77.8Confident138 Ų13864.7 Ų64.752%0.52137%0.374SS..Hα-helixtrans-63-39.9176.9-169.8-175-55.6-163.20112.4D304 G305 V306D304-R308 WeakPolarHBondContact O-CB 3.45Å; D304-R308 PolarHBondContact O-N 2.81Å; D304-R308 IonicContact OD2-CZ 3.56Å; D304-R308 IonicContact OD2-NE 2.6Å; D304-R308 IonicContact OD2-NH2 3.18Å; D304-R308 PolarHBondContact OD2-NH2 3.47Å; G305-R308 WeakPolarHBondContact O-CB 3.3Å; G305-R308 PolarHBondContact O-N 2.92Å; V306-R308 VanDerWaalsContact C-N 3.31Å; V306-R308 PolarHBondContact O-N 2.98Å
309V80.4Confident77.1Confident43 Ų4368 Ų6826%0.26139%0.391SS..Hα-helixtrans-75.8-44.9-179.4174.50000111.9L248 V251 I252 E255 G305 V306 L307L248-V309 HydrophobicContact CD1-CG1 3.95Å; V251-V309 HydrophobicContact CB-CG1 4.09Å; V251-V309 HydrophobicContact CG1-CB 4.31Å; V251-V309 HydrophobicContact CG1-CG1 3.55Å; V251-V309 HydrophobicContact CG1-CG2 3.72Å; I252-V309 HydrophobicContact CG1-CG1 4.14Å; E255-V309 HydrophobicContact CB-CG2 4.25Å; E255-V309 HydrophobicContact CG-CG2 4.36Å; G305-V309 WeakPolarHBondContact O-CG2 3.5Å; G305-V309 PolarHBondContact O-N 2.94Å; V306-V309 PolarHBondContact O-N 2.84Å; L307-V309 VanDerWaalsContact C-N 3.35Å; L307-V309 PolarHBondContact O-N 3.34Å
310T76.1Confident76.7Confident57 Ų5766.7 Ų66.735%0.3539%0.387SS..Hα-helixtrans-78.7-27.6-174.551.60000113V306 G312V306-T310 HydrophobicContact CG1-CG2 4.26Å; V306-T310 WeakPolarHBondContact O-CB 3.38Å; V306-T310 PolarHBondContact O-N 2.98Å; V306-T310 PolarHBondContact O-OG1 2.7Å; T310-G312 PolarHBondContact O-N 2.84Å
311G64.6Low76.4Confident68 Ų6863.5 Ų63.570%0.70137%0.374SS*.  trans56.712.4178.600000114.7L307L307-G311 PolarHBondContact O-N 3.06Å
312G51.1Low76.1Confident55 Ų5567 Ų6757%0.56739%0.393SS*.  trans-103.4-10.3-162.100000115.6T310T310-G312 PolarHBondContact O-N 2.84Å
313F49.9Very low75.9Confident135 Ų13570.2 Ų70.259%0.59241%0.407SS*.SBendtrans-105122.9177.1-63.8-85000109.7L307 G315L307-F313 HydrophobicContact CD2-CB 3.69Å; L307-F313 HydrophobicContact CD2-CD2 3.44Å; L307-F313 VanDerWaalsContact CD2-CD2 3.44Å; L307-F313 HydrophobicContact CD2-CE2 4.38Å; L307-F313 HydrophobicContact CD2-CG 3.85Å; F313-G315 PolarHBondContact O-N 2.85Å
314Y54.7Low75.7Confident208 Ų20868.3 Ų68.382%0.81640%0.397SS*.  trans-34.4134.6176.8-69.4-94.3000112.5T316 V317Y314-T316 PolarHBondContact O-N 3.31Å; Y314-V317 PolarHBondContact O-N 3.38Å
315G66Low75.7Confident55 Ų5569.2 Ų69.257%0.56740%0.401SS*.Hα-helixtrans-49.6-21.2-165.200000116.2F313 L319F313-G315 PolarHBondContact O-N 2.85Å; G315-L319 WeakPolarHBondContact O-CB 3.35Å; G315-L319 PolarHBondContact O-N 3.17Å
316T73.1Confident75.8Confident104 Ų10472.7 Ų72.764%0.63843%0.426SS*.Hα-helixtrans-59-45.5174.5-43.20000113.1Y314 L319 V320Y314-T316 PolarHBondContact O-N 3.31Å; T316-L319 PolarHBondContact O-N 3.44Å; T316-V320 HydrophobicContact CG2-CG2 4.46Å; T316-V320 WeakPolarHBondContact O-CB 3.43Å; T316-V320 WeakPolarHBondContact O-CG2 3.15Å; T316-V320 PolarHBondContact O-N 3.01Å
317V77.5Confident75.8Confident79 Ų7975.7 Ų75.748%0.47944%0.44SS..Hα-helixtrans-69.8-42.8-177.3-176.80000110.6L307 Y314 L319 V320 A321L307-V317 HydrophobicContact CD1-CG1 3.95Å; Y314-V317 PolarHBondContact O-N 3.38Å; V317-L319 VanDerWaalsContact C-N 3.34Å; V317-L319 PolarHBondContact O-N 2.91Å; V317-V320 PolarHBondContact O-N 3.06Å; V317-A321 WeakPolarHBondContact O-CB 3.49Å; V317-A321 PolarHBondContact O-N 3.34Å
318A75.1Confident75.9Confident26 Ų2676.5 Ų76.522%0.21544%0.444CS..Hα-helixtrans-63.5-39.6174.800000111.9L307 A321 N322L307-A318 HydrophobicContact CD1-CB 4.39Å; A318-A321 PolarHBondContact O-N 3Å; A318-N322 WeakPolarHBondContact O-CB 3.45Å; A318-N322 PolarHBondContact O-N 2.94Å; A318-N322 PolarHBondContact O-ND2 2.88Å
319L79Confident76.1Confident113 Ų11371.8 Ų71.859%0.59243%0.429SS*.Hα-helixtrans-67.7-43177.6-166.2156000111G315 T316 V317 N322 L323G315-L319 WeakPolarHBondContact O-CB 3.35Å; G315-L319 PolarHBondContact O-N 3.17Å; T316-L319 PolarHBondContact O-N 3.44Å; V317-L319 VanDerWaalsContact C-N 3.34Å; V317-L319 PolarHBondContact O-N 2.91Å; L319-N322 PolarHBondContact O-N 3.46Å; L319-L323 WeakPolarHBondContact O-CB 3.39Å; L319-L323 PolarHBondContact O-N 2.87Å
320V83Confident76.4Confident76 Ų7673.8 Ų73.846%0.46145%0.445SS..Hα-helixtrans-62.4-44.5175169.80000111.1T316 V317 L323 S324T316-V320 HydrophobicContact CG2-CG2 4.46Å; T316-V320 WeakPolarHBondContact O-CB 3.43Å; T316-V320 WeakPolarHBondContact O-CG2 3.15Å; T316-V320 PolarHBondContact O-N 3.01Å; V317-V320 PolarHBondContact O-N 3.06Å; V320-L323 PolarHBondContact O-N 2.97Å; V320-S324 VanDerWaalsContact O-CB 3.26Å; V320-S324 WeakPolarHBondContact O-CB 3.28Å; V320-S324 PolarHBondContact O-N 3.2Å; V320-S324 PolarHBondContact O-OG 3.48Å
321A82.5Confident76.8Confident6 Ų676.7 Ų76.75%0.0545%0.453CS..Hα-helixtrans-60.9-46.6176.500000111.5V303 D304 L307 V317 A318 S324 L325V303-A321 HydrophobicContact CG1-CB 4.38Å; D304-A321 HydrophobicContact CB-CB 4.46Å; L307-A321 HydrophobicContact CD1-CB 4.23Å; V317-A321 WeakPolarHBondContact O-CB 3.49Å; V317-A321 PolarHBondContact O-N 3.34Å; A318-A321 PolarHBondContact O-N 3Å; A321-S324 PolarHBondContact O-N 2.95Å; A321-L325 WeakPolarHBondContact O-CB 3.18Å; A321-L325 PolarHBondContact O-N 3.44Å
322N83.6Confident77.6Confident73 Ų7374.5 Ų74.539%0.3943%0.426SS..Hα-helixtrans-63.6-45.3177.3-85.1-72.3000112.8D304 A318 L319 L325 S326D304-N322 PolarHBondContact OD1-ND2 3.29Å; D304-N322 PolarHBondContact OD1-OD1 3.47Å; D304-N322 VanDerWaalsContact OD1-OD1 3.09Å; A318-N322 WeakPolarHBondContact O-CB 3.45Å; A318-N322 PolarHBondContact O-N 2.94Å; A318-N322 PolarHBondContact O-ND2 2.88Å; L319-N322 PolarHBondContact O-N 3.46Å; N322-L325 PolarHBondContact O-N 3.5Å; N322-S326 WeakPolarHBondContact O-CB 3.31Å; N322-S326 PolarHBondContact O-N 3.45Å
323L86.3Confident79Confident99 Ų9976 Ų7652%0.51842%0.419SS..Hα-helixtrans-62.1-46.3178.2-174.371000110.4L319 V320 L325 S326 L327L319-L323 WeakPolarHBondContact O-CB 3.39Å; L319-L323 PolarHBondContact O-N 2.87Å; V320-L323 PolarHBondContact O-N 2.97Å; L323-L325 VanDerWaalsContact C-N 3.35Å; L323-L325 PolarHBondContact O-N 2.97Å; L323-S326 PolarHBondContact O-N 2.96Å; L323-L327 HydrophobicContact CG-CD1 4.33Å; L323-L327 VanDerWaalsContact O-CG 3.3Å; L323-L327 WeakPolarHBondContact O-CG 3.34Å; L323-L327 PolarHBondContact O-N 3.32Å
324S85.4Confident80.6Confident30 Ų3076.1 Ų76.121%0.2142%0.416CS..Hα-helixtrans-61.5-44.3179.1-55.70000111.2V320 A321 L327 I328V320-S324 VanDerWaalsContact O-CB 3.26Å; V320-S324 WeakPolarHBondContact O-CB 3.28Å; V320-S324 PolarHBondContact O-N 3.2Å; V320-S324 PolarHBondContact O-OG 3.48Å; A321-S324 PolarHBondContact O-N 2.95Å; S324-L327 PolarHBondContact O-N 3.41Å; S324-I328 WeakPolarHBondContact O-CD1 3.18Å; S324-I328 VanDerWaalsContact O-CG1 3.28Å; S324-I328 WeakPolarHBondContact O-CG1 3.33Å; S324-I328 PolarHBondContact O-N 3.34Å
325L85.1Confident81.9Confident22 Ų2271.5 Ų71.512%0.11540%0.397CS..Hα-helixtrans-60.8-46.5176-159.995000111.2Y297 F300 A321 N322 L323 L327 I328 D329Y297-L325 HydrophobicContact CD2-CD1 4.25Å; Y297-L325 HydrophobicContact CE2-CD1 3.74Å; Y297-L325 HydrophobicContact CE2-CG 4.09Å; F300-L325 HydrophobicContact CB-CD1 3.99Å; A321-L325 WeakPolarHBondContact O-CB 3.18Å; A321-L325 PolarHBondContact O-N 3.44Å; N322-L325 PolarHBondContact O-N 3.5Å; L323-L325 VanDerWaalsContact C-N 3.35Å; L323-L325 PolarHBondContact O-N 2.97Å; L325-L327 VanDerWaalsContact C-N 3.31Å; L325-L327 PolarHBondContact O-N 3.46Å; L325-I328 PolarHBondContact O-N 2.95Å; L325-D329 WeakPolarHBondContact O-CB 3.34Å; L325-D329 PolarHBondContact O-N 2.88Å
326S86.9Confident82.4Confident75 Ų7569.1 Ų69.152%0.52437%0.371SS..Hα-helixtrans-62.8-36.2179.4-172.30000112.9N322 L323 D329 S330N322-S326 WeakPolarHBondContact O-CB 3.31Å; N322-S326 PolarHBondContact O-N 3.45Å; L323-S326 PolarHBondContact O-N 2.96Å; S326-D329 PolarHBondContact O-N 3.03Å; S326-S330 WeakPolarHBondContact O-CB 3.12Å; S326-S330 PolarHBondContact O-N 3.36Å
327L87.5Confident82.2Confident111 Ų11167.6 Ų67.658%0.58136%0.358SS*.Hα-helixtrans-67.2-44.5176.1-71.1173000111.3L323 S324 L325 D329 S330 F331L323-L327 HydrophobicContact CG-CD1 4.33Å; L323-L327 VanDerWaalsContact O-CG 3.3Å; L323-L327 WeakPolarHBondContact O-CG 3.34Å; L323-L327 PolarHBondContact O-N 3.32Å; S324-L327 PolarHBondContact O-N 3.41Å; L325-L327 VanDerWaalsContact C-N 3.31Å; L325-L327 PolarHBondContact O-N 3.46Å; L327-D329 VanDerWaalsContact C-N 3.31Å; L327-D329 PolarHBondContact O-N 3.19Å; L327-S330 PolarHBondContact O-N 2.69Å; L327-F331 WeakPolarHBondContact O-CB 3.45Å; L327-F331 PolarHBondContact O-N 2.84Å
328I86.2Confident81.9Confident33 Ų3370.3 Ų70.317%0.16936%0.364CS..Hα-helixtrans-59.6-45.4175.4-66.6160.9000109.8L296 Y297 F300 S324 L325 S330 F331 V332L296-I328 HydrophobicContact CD2-CD1 3.56Å; L296-I328 HydrophobicContact CD2-CG1 4.36Å; Y297-I328 HydrophobicContact CD2-CG2 4.27Å; F300-I328 HydrophobicContact CD2-CD1 3.82Å; F300-I328 HydrophobicContact CE2-CD1 4.27Å; F300-I328 HydrophobicContact CG-CD1 4.39Å; S324-I328 WeakPolarHBondContact O-CD1 3.18Å; S324-I328 VanDerWaalsContact O-CG1 3.28Å; S324-I328 WeakPolarHBondContact O-CG1 3.33Å; S324-I328 PolarHBondContact O-N 3.34Å; L325-I328 PolarHBondContact O-N 2.95Å; I328-S330 PolarHBondContact O-N 3.29Å; I328-F331 PolarHBondContact O-N 2.74Å; I328-V332 HydrophobicContact CG2-CG2 4.09Å; I328-V332 VanDerWaalsContact O-CB 3.29Å; I328-V332 WeakPolarHBondContact O-CB 3.45Å; I328-V332 WeakPolarHBondContact O-CG2 3.29Å; I328-V332 PolarHBondContact O-N 3.18Å
329D83.6Confident81.7Confident40 Ų4070.8 Ų70.821%0.21436%0.362CS..Hα-helixtrans-60.6-46.2180-69.910.9000111.7R266 Y297 L325 S326 L327 M333R266-D329 IonicContact CZ-OD1 3.36Å; R266-D329 IonicContact CZ-OD2 3.42Å; R266-D329 IonicContact NH1-OD1 3.38Å; R266-D329 PolarHBondContact NH1-OD1 3.2Å; R266-D329 IonicContact NH1-OD2 3.61Å; R266-D329 PolarHBondContact NH1-OD2 3.47Å; R266-D329 IonicContact NH2-OD1 2.81Å; R266-D329 IonicContact NH2-OD2 3.38Å; R266-D329 PolarHBondContact NH2-OD2 3.45Å; Y297-D329 WeakPolarHBondContact CE2-OD1 3.41Å; L325-D329 WeakPolarHBondContact O-CB 3.34Å; L325-D329 PolarHBondContact O-N 2.88Å; S326-D329 PolarHBondContact O-N 3.03Å; L327-D329 VanDerWaalsContact C-N 3.31Å; L327-D329 PolarHBondContact O-N 3.19Å; D329-M333 WeakPolarHBondContact O-CB 3.49Å; D329-M333 VanDerWaalsContact O-CG 3.22Å; D329-M333 WeakPolarHBondContact O-CG 3.41Å; D329-M333 PolarHBondContact O-N 3.22Å
330S87.1Confident81.2Confident85 Ų8565.6 Ų65.659%0.59434%0.336SS*.Hα-helixtrans-63.8-44.4177.7-171.30000111.8S326 L327 I328 M333 W334S326-S330 WeakPolarHBondContact O-CB 3.12Å; S326-S330 PolarHBondContact O-N 3.36Å; L327-S330 PolarHBondContact O-N 2.69Å; I328-S330 PolarHBondContact O-N 3.29Å; S330-M333 PolarHBondContact O-N 3.2Å; S330-W334 WeakPolarHBondContact O-CB 3.34Å; S330-W334 PolarHBondContact O-N 3.42Å
331F85.9Confident80.7Confident117 Ų11762.5 Ų62.551%0.51332%0.316SS..Hα-helixtrans-65.2-45.3179.1179.3-99.5000111.7L327 I328 M333 W334 W335L327-F331 WeakPolarHBondContact O-CB 3.45Å; L327-F331 PolarHBondContact O-N 2.84Å; I328-F331 PolarHBondContact O-N 2.74Å; F331-M333 PolarHBondContact O-N 3.34Å; F331-W334 HydrophobicContact CD2-CE3 4.37Å; F331-W334 HydrophobicContact CE2-CE3 4.23Å; F331-W334 HydrophobicContact CE2-CZ3 4.24Å; F331-W334 PolarHBondContact O-N 3.42Å; F331-W335 HydrophobicContact CE1-CE3 4.41Å; F331-W335 AromaticContact CZ-CE3 3.99Å; F331-W335 HydrophobicContact CZ-CE3 3.99Å; F331-W335 WeakPolarHBondContact O-CB 3.47Å; F331-W335 PolarHBondContact O-N 3.17Å
332V80.6Confident80Confident22 Ų2264.7 Ų64.713%0.13333%0.331CS..Hα-helixtrans-62.2-43.2177.7167.30000110.7L270 I328 W335 I336L270-V332 HydrophobicContact CD1-CG1 4.17Å; L270-V332 HydrophobicContact CD2-CG1 4.18Å; L270-V332 HydrophobicContact CG-CG1 4.35Å; I328-V332 HydrophobicContact CG2-CG2 4.09Å; I328-V332 VanDerWaalsContact O-CB 3.29Å; I328-V332 WeakPolarHBondContact O-CB 3.45Å; I328-V332 WeakPolarHBondContact O-CG2 3.29Å; I328-V332 PolarHBondContact O-N 3.18Å; V332-W335 PolarHBondContact O-N 3.44Å; V332-I336 HydrophobicContact CG1-CD1 3.53Å; V332-I336 HydrophobicContact CG1-CG1 4.25Å; V332-I336 WeakPolarHBondContact O-CB 3.47Å; V332-I336 WeakPolarHBondContact O-CD1 3.13Å; V332-I336 WeakPolarHBondContact O-CG1 3.5Å; V332-I336 PolarHBondContact O-N 3.1Å
333M79.4Confident79.2Confident86 Ų8667.3 Ų67.342%0.42434%0.341SS..Hα-helixtrans-63.5-42.9176.3-73.8-64175.400112D329 S330 F331 I336 I337D329-M333 WeakPolarHBondContact O-CB 3.49Å; D329-M333 VanDerWaalsContact O-CG 3.22Å; D329-M333 WeakPolarHBondContact O-CG 3.41Å; D329-M333 PolarHBondContact O-N 3.22Å; S330-M333 PolarHBondContact O-N 3.2Å; F331-M333 PolarHBondContact O-N 3.34Å; M333-I336 PolarHBondContact O-N 3.3Å; M333-I337 VanDerWaalsContact O-CB 3.31Å; M333-I337 WeakPolarHBondContact O-CB 3.21Å; M333-I337 VanDerWaalsContact O-CG1 3.25Å; M333-I337 WeakPolarHBondContact O-CG1 3.3Å; M333-I337 PolarHBondContact O-N 3.23Å
334W83.7Confident78.3Confident139 Ų13963.3 Ų63.353%0.52732%0.321SS..Hα-helixtrans-61.3-45.8174.7-179.870.3000111.8S330 F331 F338 I339S330-W334 WeakPolarHBondContact O-CB 3.34Å; S330-W334 PolarHBondContact O-N 3.42Å; F331-W334 HydrophobicContact CD2-CE3 4.37Å; F331-W334 HydrophobicContact CE2-CE3 4.23Å; F331-W334 HydrophobicContact CE2-CZ3 4.24Å; F331-W334 PolarHBondContact O-N 3.42Å; W334-F338 WeakPolarHBondContact O-CB 3.48Å; W334-F338 PolarHBondContact O-N 2.83Å; W334-I339 HydrophobicContact CH2-CD1 4.3Å; W334-I339 HydrophobicContact CZ3-CD1 4.14Å
335W82.2Confident77.4Confident111 Ų11163.8 Ų63.842%0.4232%0.323SS..Iπ-helixtrans-60.8-46.9176.8-173.6-82000112.3F331 V332 I339 S340F331-W335 HydrophobicContact CE1-CE3 4.41Å; F331-W335 AromaticContact CZ-CE3 3.99Å; F331-W335 HydrophobicContact CZ-CE3 3.99Å; F331-W335 WeakPolarHBondContact O-CB 3.47Å; F331-W335 PolarHBondContact O-N 3.17Å; V332-W335 PolarHBondContact O-N 3.44Å; W335-I339 HydrophobicContact CD2-CB 4.45Å; W335-I339 HydrophobicContact CD2-CD1 3.85Å; W335-I339 HydrophobicContact CE3-CD1 3.39Å; W335-I339 HydrophobicContact CH2-CD1 4.15Å; W335-I339 HydrophobicContact CZ2-CG2 4.19Å; W335-I339 HydrophobicContact CZ3-CD1 3.56Å; W335-I339 WeakPolarHBondContact O-CB 3.46Å; W335-I339 PolarHBondContact O-N 3.15Å; W335-S340 PolarHBondContact O-N 3.37Å
336I76.3Confident76.5Confident4 Ų471.4 Ų71.42%0.02135%0.35CS..Iπ-helixtrans-59.4-56.7178-73.5166000110.2L270 V332 M333 L341L270-I336 HydrophobicContact CD2-CD1 3.62Å; L270-I336 HydrophobicContact CD2-CG1 3.35Å; L270-I336 HydrophobicContact CG-CD1 3.9Å; L270-I336 HydrophobicContact CG-CG1 4.15Å; V332-I336 HydrophobicContact CG1-CD1 3.53Å; V332-I336 HydrophobicContact CG1-CG1 4.25Å; V332-I336 WeakPolarHBondContact O-CB 3.47Å; V332-I336 WeakPolarHBondContact O-CD1 3.13Å; V332-I336 WeakPolarHBondContact O-CG1 3.5Å; V332-I336 PolarHBondContact O-N 3.1Å; M333-I336 PolarHBondContact O-N 3.3Å; I336-L341 WeakPolarHBondContact O-CB 3.44Å; I336-L341 PolarHBondContact O-N 2.99Å
337I69.9Low75.4Confident72 Ų7270.6 Ų70.637%0.36934%0.339SS..Iπ-helixtrans-70.2-44.2-170.4-66.6167.5000110.7M333 L367M333-I337 VanDerWaalsContact O-CB 3.31Å; M333-I337 WeakPolarHBondContact O-CB 3.21Å; M333-I337 VanDerWaalsContact O-CG1 3.25Å; M333-I337 WeakPolarHBondContact O-CG1 3.3Å; M333-I337 PolarHBondContact O-N 3.23Å; I337-L367 HydrophobicContact CG1-CD2 4.3Å
338F69.9Low74Confident137 Ų13765.7 Ų65.760%0.60131%0.314SS*.Iπ-helixtrans-92.8-39.7-168.3-153.7-91.3000113.4W334 S342W334-F338 WeakPolarHBondContact O-CB 3.48Å; W334-F338 PolarHBondContact O-N 2.83Å; F338-S342 WeakPolarHBondContact O-CB 3.28Å
339I72.1Confident72.8Confident36 Ų3670.8 Ų70.819%0.18533%0.334CS..Iπ-helixtrans-95.5-61.1-173.9-62.6171.2000109.6W334 W335 Q343W334-I339 HydrophobicContact CH2-CD1 4.3Å; W334-I339 HydrophobicContact CZ3-CD1 4.14Å; W335-I339 HydrophobicContact CD2-CB 4.45Å; W335-I339 HydrophobicContact CD2-CD1 3.85Å; W335-I339 HydrophobicContact CE3-CD1 3.39Å; W335-I339 HydrophobicContact CH2-CD1 4.15Å; W335-I339 HydrophobicContact CZ2-CG2 4.19Å; W335-I339 HydrophobicContact CZ3-CD1 3.56Å; W335-I339 WeakPolarHBondContact O-CB 3.46Å; W335-I339 PolarHBondContact O-N 3.15Å; I339-Q343 VanDerWaalsContact O-CB 3.32Å; I339-Q343 WeakPolarHBondContact O-CB 3.35Å; I339-Q343 WeakPolarHBondContact O-CG 3.23Å; I339-Q343 PolarHBondContact O-N 3.26Å; I339-Q343 VanDerWaalsContact O-N 3.09Å
340S69.1Low71.5Confident4 Ų476 Ų763%0.02836%0.362CS..Iπ-helixtrans-65.4-48.3-172.4-1700000112.5S273 L274 W335 T344S273-S340 VanDerWaalsContact C-OG 3.23Å; S273-S340 PolarHBondContact O-OG 3.01Å; L274-S340 WeakPolarHBondContact CA-OG 3.31Å; L274-S340 VanDerWaalsContact CD2-OG 3.3Å; L274-S340 WeakPolarHBondContact CD2-OG 3.41Å; L274-S340 PolarHBondContact N-OG 3.4Å; W335-S340 PolarHBondContact O-N 3.37Å; S340-T344 WeakPolarHBondContact O-CB 3.46Å; S340-T344 VanDerWaalsContact O-CG2 3.26Å; S340-T344 WeakPolarHBondContact O-CG2 3.4Å; S340-T344 PolarHBondContact O-N 2.93Å; S340-T344 VanDerWaalsContact O-N 3.07Å; S340-T344 PolarHBondContact O-OG1 3.35Å
341L70.6Confident70.3Confident10 Ų1077.5 Ų77.55%0.05235%0.354CS..Hα-helixtrans-74.2-35.6-175.2-149.467.4000112.5I336 T344 T345 T364I336-L341 WeakPolarHBondContact O-CB 3.44Å; I336-L341 PolarHBondContact O-N 2.99Å; L341-T344 WeakPolarHBondContact CA-OG1 3.18Å; L341-T344 PolarHBondContact O-OG1 3.45Å; L341-T344 VanDerWaalsContact O-OG1 3.11Å; L341-T345 VanDerWaalsContact O-CB 3.24Å; L341-T345 WeakPolarHBondContact O-CB 3.39Å; L341-T345 PolarHBondContact O-N 3.44Å; L341-T345 PolarHBondContact O-OG1 2.92Å; L341-T364 HydrophobicContact CD2-CG2 3.31Å; L341-T364 WeakPolarHBondContact CD2-OG1 3.43Å; L341-T364 HydrophobicContact CG-CG2 4.24Å
342S68.9Low68.9Low53 Ų5382.4 Ų82.437%0.37137%0.369SS..Hα-helixtrans-66.5-44.7176.9-174.70000111.8F338 R346F338-S342 WeakPolarHBondContact O-CB 3.28Å; S342-R346 WeakPolarHBondContact O-CB 3.4Å; S342-R346 WeakPolarHBondContact O-CG 3.39Å; S342-R346 PolarHBondContact O-N 2.67Å
343Q66.7Low68.1Low127 Ų12783.7 Ų83.759%0.59338%0.376SS*.Hα-helixtrans-65.9-46.9177.8-72.4175.5-2100111.7I339 T345 R346 L347I339-Q343 VanDerWaalsContact O-CB 3.32Å; I339-Q343 WeakPolarHBondContact O-CB 3.35Å; I339-Q343 WeakPolarHBondContact O-CG 3.23Å; I339-Q343 PolarHBondContact O-N 3.26Å; I339-Q343 VanDerWaalsContact O-N 3.09Å; Q343-T345 PolarHBondContact O-N 2.91Å; Q343-R346 PolarHBondContact O-N 3.39Å; Q343-L347 WeakPolarHBondContact O-CB 3.47Å; Q343-L347 PolarHBondContact O-N 3.21Å
344T67.3Low67.1Low15 Ų1585.7 Ų85.79%0.09239%0.387CS..Hα-helixtrans-65.1-39.617950.50000112.3S340 L341 L347 L348S340-T344 WeakPolarHBondContact O-CB 3.46Å; S340-T344 VanDerWaalsContact O-CG2 3.26Å; S340-T344 WeakPolarHBondContact O-CG2 3.4Å; S340-T344 PolarHBondContact O-N 2.93Å; S340-T344 VanDerWaalsContact O-N 3.07Å; S340-T344 PolarHBondContact O-OG1 3.35Å; L341-T344 WeakPolarHBondContact CA-OG1 3.18Å; L341-T344 PolarHBondContact O-OG1 3.45Å; L341-T344 VanDerWaalsContact O-OG1 3.11Å; T344-L347 PolarHBondContact O-N 3.39Å; T344-L348 WeakPolarHBondContact O-CB 3.35Å; T344-L348 WeakPolarHBondContact O-CG 3.22Å; T344-L348 PolarHBondContact O-N 3.27Å
345T66.9Low66.1Low40 Ų4084.1 Ų84.125%0.24539%0.393CS..Hα-helixtrans-65.2-41176-570000111.9L341 Q343 K349L341-T345 VanDerWaalsContact O-CB 3.24Å; L341-T345 WeakPolarHBondContact O-CB 3.39Å; L341-T345 PolarHBondContact O-N 3.44Å; L341-T345 PolarHBondContact O-OG1 2.92Å; Q343-T345 PolarHBondContact O-N 2.91Å; T345-K349 HydrophobicContact CG2-CD 4.4Å; T345-K349 WeakPolarHBondContact O-CB 3.22Å; T345-K349 WeakPolarHBondContact O-CG 3.28Å; T345-K349 PolarHBondContact O-N 2.71Å
346R65.1Low65.3Low183 Ų18380.7 Ų80.769%0.69138%0.381SS*.Hα-helixtrans-63-46.9175.6-80.3179.6167.9-167.7-3.2111.5S342 Q343 L348 K349 L350S342-R346 WeakPolarHBondContact O-CB 3.4Å; S342-R346 WeakPolarHBondContact O-CG 3.39Å; S342-R346 PolarHBondContact O-N 2.67Å; Q343-R346 PolarHBondContact O-N 3.39Å; R346-L348 PolarHBondContact O-N 2.77Å; R346-K349 PolarHBondContact O-N 3.46Å; R346-L350 WeakPolarHBondContact O-CG 3.3Å; R346-L350 PolarHBondContact O-N 3.37Å; R346-L350 VanDerWaalsContact O-N 3.15Å
347L63.5Low64.7Low57 Ų5782 Ų8230%0.29839%0.388SS..Hα-helixtrans-65.3-38-179.7-168.3146000112.1V279 Q343 T344 L350 R351V279-L347 HydrophobicContact CG1-CD2 3.59Å; Q343-L347 WeakPolarHBondContact O-CB 3.47Å; Q343-L347 PolarHBondContact O-N 3.21Å; T344-L347 PolarHBondContact O-N 3.39Å; L347-L350 PolarHBondContact O-N 3.03Å; L347-R351 WeakPolarHBondContact O-CG 3.25Å; L347-R351 PolarHBondContact O-N 3.46Å
348L58.3Low64.7Low9 Ų981 Ų815%0.04739%0.387CS..Hα-helixtrans-73.3-33.4176.3-74.6167.3000113.4V279 T344 R346 L350 R351 R352 L357 Y360V279-L348 HydrophobicContact CG2-CD1 4.33Å; V279-L348 HydrophobicContact CG2-CD2 3.94Å; V279-L348 HydrophobicContact CG2-CG 4.29Å; T344-L348 WeakPolarHBondContact O-CB 3.35Å; T344-L348 WeakPolarHBondContact O-CG 3.22Å; T344-L348 PolarHBondContact O-N 3.27Å; R346-L348 PolarHBondContact O-N 2.77Å; L348-L350 VanDerWaalsContact C-N 3.3Å; L348-R351 PolarHBondContact O-N 3.5Å; L348-R352 PolarHBondContact O-N 2.92Å; L348-L357 HydrophobicContact CB-CD1 4.06Å; L348-Y360 HydrophobicContact CD1-CD1 4.43Å; L348-Y360 HydrophobicContact CD1-CD2 3.75Å; L348-Y360 HydrophobicContact CD1-CE2 4.19Å; L348-Y360 HydrophobicContact CD1-CG 3.91Å
349K61.3Low64.8Low139 Ų13977.6 Ų77.660%0.60438%0.375SS*.Hα-helixtrans-63.2-37.7172.1-80.8-178.8178.7-1770111.8T345 R346 L357T345-K349 HydrophobicContact CG2-CD 4.4Å; T345-K349 WeakPolarHBondContact O-CB 3.22Å; T345-K349 WeakPolarHBondContact O-CG 3.28Å; T345-K349 PolarHBondContact O-N 2.71Å; R346-K349 PolarHBondContact O-N 3.46Å; K349-L357 HydrophobicContact CG-CD1 4.16Å
350L56.9Low64.7Low150 Ų15076.3 Ų76.379%0.78537%0.368SS*.Hα-helixtrans-69.1-32.8177.3-70.7168.9000112.7R346 L347 L348R346-L350 WeakPolarHBondContact O-CG 3.3Å; R346-L350 PolarHBondContact O-N 3.37Å; R346-L350 VanDerWaalsContact O-N 3.15Å; L347-L350 PolarHBondContact O-N 3.03Å; L348-L350 VanDerWaalsContact C-N 3.3Å
351R61.5Low64.9Low117 Ų11781 Ų8144%0.44239%0.389SS..THydrogen-bonded Turntrans-88.93.6-176.9-67-172.3-177.1-154.9-0.1115.5L347 L348 N353L347-R351 WeakPolarHBondContact O-CG 3.25Å; L347-R351 PolarHBondContact O-N 3.46Å; L348-R351 PolarHBondContact O-N 3.5Å; R351-N353 PolarHBondContact O-N 3.31Å
352R57.1Low65.4Low220 Ų22085.6 Ų85.683%0.8341%0.41SS*.THydrogen-bonded Turntrans51.822.8169.8-125.7175.8-176.9162.2-1.4117.2L348 L354L348-R352 PolarHBondContact O-N 2.92Å; R352-L354 PolarHBondContact O-N 3.37Å
353N62.9Low65.9Low49 Ų4983.6 Ų83.626%0.26240%0.395SS..  trans-86.892.1176.3-167.2-43.8000110.8R351 V355 K356 L357R351-N353 PolarHBondContact O-N 3.31Å; N353-V355 VanDerWaalsContact C-N 3.34Å; N353-V355 PolarHBondContact O-N 3.25Å; N353-K356 HydrophobicContact CB-CB 4.46Å; N353-K356 PolarHBondContact O-N 3.31Å; N353-K356 PolarHBondContact OD1-N 2.94Å; N353-L357 WeakPolarHBondContact O-CB 3.25Å; N353-L357 PolarHBondContact O-N 3.19Å
354L58.4Low66.4Low127 Ų12778.5 Ų78.567%0.66537%0.372SS*.Hα-helixtrans-63-34.1-169.9-60178.2000113.9R352 S358R352-L354 PolarHBondContact O-N 3.37Å; L354-S358 PolarHBondContact O-N 2.75Å; L354-S358 VanDerWaalsContact O-N 3.1Å
355V62.8Low67.2Low107 Ų10782.3 Ų82.365%0.64839%0.392SS*.Hα-helixtrans-71.4-45.2-179.1-179.90000111.2N353 L359N353-V355 VanDerWaalsContact C-N 3.34Å; N353-V355 PolarHBondContact O-N 3.25Å; V355-L359 PolarHBondContact O-N 3.46Å
356K64.9Low68.1Low38 Ų3882.2 Ų82.217%0.16539%0.392CS..Hα-helixtrans-68.4-35.6176.3-70.2179.2173.3-174.80111.9I278 N353 L359 Y360 F428I278-K356 HydrophobicContact CG2-CB 4.44Å; I278-K356 HydrophobicContact CG2-CD 3.56Å; I278-K356 HydrophobicContact CG2-CG 4.05Å; I278-K356 PolarHBondContact O-NZ 3.49Å; N353-K356 HydrophobicContact CB-CB 4.46Å; N353-K356 PolarHBondContact O-N 3.31Å; N353-K356 PolarHBondContact OD1-N 2.94Å; K356-L359 PolarHBondContact O-N 3.45Å; K356-Y360 WeakPolarHBondContact O-CD2 3.43Å; K356-Y360 PolarHBondContact O-N 2.94Å; K356-F428 VanDerWaalsContact CE-CB 3.4Å; K356-F428 PolarHBondContact NZ-O 2.84Å
357L64.6Low69Low33 Ų3374.1 Ų74.117%0.17336%0.362CS..Hα-helixtrans-63.8-43.7177.7-174.174.2000112.1L348 K349 N353 L359 Y360 Q361L348-L357 HydrophobicContact CB-CD1 4.06Å; K349-L357 HydrophobicContact CG-CD1 4.16Å; N353-L357 WeakPolarHBondContact O-CB 3.25Å; N353-L357 PolarHBondContact O-N 3.19Å; L357-L359 PolarHBondContact O-N 3.44Å; L357-Y360 PolarHBondContact O-N 3.37Å; L357-Q361 PolarHBondContact O-N 3.38Å
358S69.8Low70Confident51 Ų5175.6 Ų75.636%0.35737%0.369SS..Hα-helixtrans-61-42.7177.4170.80000111.7L354 Y360 Q361 H362L354-S358 PolarHBondContact O-N 2.75Å; L354-S358 VanDerWaalsContact O-N 3.1Å; S358-Y360 PolarHBondContact O-N 2.92Å; S358-Q361 PolarHBondContact O-N 3.23Å; S358-H362 PolarHBondContact O-CD2 2.98Å; S358-H362 PolarHBondContact O-N 3.07Å; S358-H362 PolarHBondContact OG-CD2 2.95Å; S358-H362 PolarHBondContact OG-NE2 3.49Å
359L71.5Confident71.5Confident64 Ų6481.5 Ų81.534%0.33540%0.395SS..Hα-helixtrans-60.4-44.2176.8-171.3152000112.2V355 K356 L357 H362 F363V355-L359 PolarHBondContact O-N 3.46Å; K356-L359 PolarHBondContact O-N 3.45Å; L357-L359 PolarHBondContact O-N 3.44Å; L359-H362 PolarHBondContact O-N 2.96Å; L359-F363 PolarHBondContact O-N 3.45Å
360Y69.9Low72.8Confident9 Ų975.9 Ų75.94%0.03537%0.37CS..Hα-helixtrans-67.7-34.9177.2-92.2-87.7000113.3V272 G275 I278 L348 K356 L357 S358 F363 T364V272-Y360 PolarHBondContact O-OH 3.26Å; G275-Y360 VanDerWaalsContact CA-OH 3.24Å; G275-Y360 WeakPolarHBondContact CA-OH 3.44Å; I278-Y360 HydrophobicContact CB-CE2 4.41Å; I278-Y360 HydrophobicContact CD1-CE2 3.8Å; I278-Y360 HydrophobicContact CG2-CE2 4.22Å; L348-Y360 HydrophobicContact CD1-CD1 4.43Å; L348-Y360 HydrophobicContact CD1-CD2 3.75Å; L348-Y360 HydrophobicContact CD1-CE2 4.19Å; L348-Y360 HydrophobicContact CD1-CG 3.91Å; K356-Y360 WeakPolarHBondContact O-CD2 3.43Å; K356-Y360 PolarHBondContact O-N 2.94Å; L357-Y360 PolarHBondContact O-N 3.37Å; S358-Y360 PolarHBondContact O-N 2.92Å; Y360-F363 PolarHBondContact O-N 3.48Å; Y360-T364 VanDerWaalsContact O-CB 3.32Å; Y360-T364 WeakPolarHBondContact O-CB 3.5Å; Y360-T364 PolarHBondContact O-N 3.01Å; Y360-T364 PolarHBondContact O-OG1 2.97Å
361Q74Confident74.2Confident102 Ų10271 Ų7148%0.47735%0.347SS..Hα-helixtrans-64.1-45.9172.7-87.1-178.8-34.900111.5L357 S358 F363 T364 N365L357-Q361 PolarHBondContact O-N 3.38Å; S358-Q361 PolarHBondContact O-N 3.23Å; Q361-F363 VanDerWaalsContact C-N 3.35Å; Q361-F363 PolarHBondContact O-N 3.06Å; Q361-T364 PolarHBondContact O-N 3.11Å; Q361-N365 VanDerWaalsContact O-CB 3.28Å; Q361-N365 WeakPolarHBondContact O-CB 3.38Å; Q361-N365 PolarHBondContact O-N 3.09Å; Q361-N365 PolarHBondContact O-ND2 2.61Å; Q361-N365 PolarHBondContact O-OD1 3.25Å
362H79.9Confident75.6Confident108 Ų10869 Ų6950%0.535%0.347SS..Hα-helixtrans-63.8-40177.2-69.8-57.4000112.2S358 L359 T366 L418S358-H362 PolarHBondContact O-CD2 2.98Å; S358-H362 PolarHBondContact O-N 3.07Å; S358-H362 PolarHBondContact OG-CD2 2.95Å; S358-H362 PolarHBondContact OG-NE2 3.49Å; L359-H362 PolarHBondContact O-N 2.96Å; H362-T366 WeakPolarHBondContact O-CB 3.38Å; H362-T366 PolarHBondContact O-N 2.99Å; H362-T366 PolarHBondContact O-OG1 3.2Å; H362-L418 HydrophobicContact CB-CD2 4.4Å
363F79.8Confident77.3Confident10 Ų1060.5 Ų60.54%0.04432%0.32CS..Hα-helixtrans-60.1-50.6174.4178.6-104.4000111.8V272 L359 Y360 Q361 T366 L367 I415 L418V272-F363 HydrophobicContact CB-CZ 4.15Å; V272-F363 HydrophobicContact CG1-CD1 4.38Å; V272-F363 HydrophobicContact CG1-CD2 4.15Å; V272-F363 HydrophobicContact CG1-CE1 3.91Å; V272-F363 HydrophobicContact CG1-CE2 3.66Å; V272-F363 HydrophobicContact CG1-CG 4.49Å; V272-F363 HydrophobicContact CG1-CZ 3.52Å; L359-F363 PolarHBondContact O-N 3.45Å; Y360-F363 PolarHBondContact O-N 3.48Å; Q361-F363 VanDerWaalsContact C-N 3.35Å; Q361-F363 PolarHBondContact O-N 3.06Å; F363-T366 PolarHBondContact O-N 2.99Å; F363-L367 HydrophobicContact CE1-CD1 4.17Å; F363-L367 HydrophobicContact CZ-CD1 4.16Å; F363-L367 PolarHBondContact O-N 2.93Å; F363-I415 HydrophobicContact CE2-CG1 4.49Å; F363-L418 HydrophobicContact CB-CD2 3.65Å; F363-L418 HydrophobicContact CD2-CD2 4.3Å; F363-L418 HydrophobicContact CG-CD2 4.5Å
364T78.8Confident78.7Confident20 Ų2059.2 Ų59.212%0.12332%0.315CS..Hα-helixtrans-62.1-47.5-179.6-59.80000111.9L341 Y360 Q361 T366 L367 I368L341-T364 HydrophobicContact CD2-CG2 3.31Å; L341-T364 WeakPolarHBondContact CD2-OG1 3.43Å; L341-T364 HydrophobicContact CG-CG2 4.24Å; Y360-T364 VanDerWaalsContact O-CB 3.32Å; Y360-T364 WeakPolarHBondContact O-CB 3.5Å; Y360-T364 PolarHBondContact O-N 3.01Å; Y360-T364 PolarHBondContact O-OG1 2.97Å; Q361-T364 PolarHBondContact O-N 3.11Å; T364-T366 PolarHBondContact O-N 3.05Å; T364-L367 PolarHBondContact O-N 3.19Å; T364-I368 HydrophobicContact CG2-CD1 3.84Å; T364-I368 WeakPolarHBondContact O-CG1 3.24Å; T364-I368 PolarHBondContact O-N 3.06Å
365N83.3Confident80.2Confident96 Ų9657.5 Ų57.551%0.51331%0.305SS..Hα-helixtrans-60.4-39178.6-69.8-7.8000111.1Q361 F369Q361-N365 VanDerWaalsContact O-CB 3.28Å; Q361-N365 WeakPolarHBondContact O-CB 3.38Å; Q361-N365 PolarHBondContact O-N 3.09Å; Q361-N365 PolarHBondContact O-ND2 2.61Å; Q361-N365 PolarHBondContact O-OD1 3.25Å; N365-F369 WeakPolarHBondContact O-CB 3.49Å; N365-F369 PolarHBondContact O-N 3.18Å
366T85.4Confident81.6Confident38 Ų3857.6 Ų57.623%0.23330%0.301CS..Hα-helixtrans-70.3-40.6177.3-50.80000111.8H362 F363 T364 I368 F369 F370 V414H362-T366 WeakPolarHBondContact O-CB 3.38Å; H362-T366 PolarHBondContact O-N 2.99Å; H362-T366 PolarHBondContact O-OG1 3.2Å; F363-T366 PolarHBondContact O-N 2.99Å; T364-T366 PolarHBondContact O-N 3.05Å; T366-I368 VanDerWaalsContact C-N 3.34Å; T366-I368 PolarHBondContact O-N 3.17Å; T366-F369 WeakPolarHBondContact O-CB 3.3Å; T366-F369 PolarHBondContact O-N 3.46Å; T366-F370 HydrophobicContact CG2-CD2 3.78Å; T366-F370 HydrophobicContact CG2-CE2 3.46Å; T366-F370 VanDerWaalsContact CG2-CE2 3.46Å; T366-F370 HydrophobicContact CG2-CZ 4.49Å; T366-F370 WeakPolarHBondContact O-CD2 3.23Å; T366-F370 PolarHBondContact O-N 2.79Å; T366-V414 HydrophobicContact CG2-CB 4.3Å; T366-V414 HydrophobicContact CG2-CG1 3.57Å; T366-V414 HydrophobicContact CG2-CG2 4.18Å
367L83.3Confident83Confident13 Ų1357 Ų577%0.06830%0.298CS..Hα-helixtrans-61.3-44176.2-167.8152000111V269 I337 F363 T364 F369 F370 V371V269-L367 HydrophobicContact CG1-CD1 4.12Å; I337-L367 HydrophobicContact CG1-CD2 4.3Å; F363-L367 HydrophobicContact CE1-CD1 4.17Å; F363-L367 HydrophobicContact CZ-CD1 4.16Å; F363-L367 PolarHBondContact O-N 2.93Å; T364-L367 PolarHBondContact O-N 3.19Å; L367-F369 VanDerWaalsContact C-N 3.34Å; L367-F369 PolarHBondContact O-N 3Å; L367-F370 PolarHBondContact O-N 2.9Å; L367-V371 HydrophobicContact CD2-CG2 4.19Å; L367-V371 WeakPolarHBondContact O-CG2 3.38Å; L367-V371 PolarHBondContact O-N 3.25Å; L367-V371 VanDerWaalsContact O-N 3.1Å
368I85.7Confident84.1Confident87 Ų8759 Ų5945%0.44631%0.309SS..Hα-helixtrans-59.9-44.6174.9-67.1165.9000110.7T364 T366 F370 V371 V372T364-I368 HydrophobicContact CG2-CD1 3.84Å; T364-I368 WeakPolarHBondContact O-CG1 3.24Å; T364-I368 PolarHBondContact O-N 3.06Å; T366-I368 VanDerWaalsContact C-N 3.34Å; T366-I368 PolarHBondContact O-N 3.17Å; I368-F370 PolarHBondContact O-N 2.73Å; I368-V371 PolarHBondContact O-N 3.4Å; I368-V372 HydrophobicContact CG2-CG2 4.49Å; I368-V372 WeakPolarHBondContact O-CG2 3.47Å; I368-V372 PolarHBondContact O-N 3.02Å
369F89Confident85.1Confident133 Ų13361.2 Ų61.258%0.58332%0.315SS*.Hα-helixtrans-57.3-46.5176.7175.1-98.8000112.2N365 T366 L367 V371 V372 V373N365-F369 WeakPolarHBondContact O-CB 3.49Å; N365-F369 PolarHBondContact O-N 3.18Å; T366-F369 WeakPolarHBondContact O-CB 3.3Å; T366-F369 PolarHBondContact O-N 3.46Å; L367-F369 VanDerWaalsContact C-N 3.34Å; L367-F369 PolarHBondContact O-N 3Å; F369-V371 VanDerWaalsContact C-N 3.33Å; F369-V371 PolarHBondContact O-N 2.81Å; F369-V372 PolarHBondContact O-N 2.88Å; F369-V373 HydrophobicContact CD1-CG2 4.25Å; F369-V373 HydrophobicContact CD2-CG2 4.39Å; F369-V373 HydrophobicContact CE1-CG2 3.84Å; F369-V373 HydrophobicContact CE2-CG2 3.99Å; F369-V373 HydrophobicContact CZ-CG2 3.7Å; F369-V373 WeakPolarHBondContact O-CG2 3.49Å; F369-V373 PolarHBondContact O-N 3.07Å
370F88.8Confident86Confident21 Ų2166.2 Ų66.29%0.09233%0.33CS..Hα-helixtrans-62.7-37.1177.1-79.5-64.4000113.3T366 L367 I368 S374 L407 T410 M411 V414T366-F370 HydrophobicContact CG2-CD2 3.78Å; T366-F370 HydrophobicContact CG2-CE2 3.46Å; T366-F370 VanDerWaalsContact CG2-CE2 3.46Å; T366-F370 HydrophobicContact CG2-CZ 4.49Å; T366-F370 WeakPolarHBondContact O-CD2 3.23Å; T366-F370 PolarHBondContact O-N 2.79Å; L367-F370 PolarHBondContact O-N 2.9Å; I368-F370 PolarHBondContact O-N 2.73Å; F370-S374 WeakPolarHBondContact O-CB 3.38Å; F370-S374 PolarHBondContact O-N 2.83Å; F370-S374 PolarHBondContact O-OG 2.78Å; F370-L407 HydrophobicContact CD1-CD2 3.98Å; F370-L407 HydrophobicContact CD1-CG 3.99Å; F370-L407 HydrophobicContact CE1-CG 4.49Å; F370-T410 HydrophobicContact CE1-CG2 4Å; F370-T410 HydrophobicContact CZ-CG2 3.88Å; F370-M411 HydrophobicContact CD2-CB 4.43Å; F370-M411 HydrophobicContact CD2-CG 4.34Å; F370-M411 HydrophobicContact CE1-CB 4.41Å; F370-M411 HydrophobicContact CE2-CB 4.09Å; F370-M411 HydrophobicContact CE2-CG 4.27Å; F370-M411 HydrophobicContact CZ-CB 4.09Å; F370-V414 HydrophobicContact CE2-CB 4.38Å; F370-V414 HydrophobicContact CE2-CG2 4.09Å; F370-V414 HydrophobicContact CZ-CG2 4.09Å
371V87.6Confident86.8Confident48 Ų4866.4 Ų66.429%0.29133%0.332SS..Hα-helixtrans-64.7-45.3175.6172.80000110.7L367 I368 F369 S374 I375L367-V371 HydrophobicContact CD2-CG2 4.19Å; L367-V371 WeakPolarHBondContact O-CG2 3.38Å; L367-V371 PolarHBondContact O-N 3.25Å; L367-V371 VanDerWaalsContact O-N 3.1Å; I368-V371 PolarHBondContact O-N 3.4Å; F369-V371 VanDerWaalsContact C-N 3.33Å; F369-V371 PolarHBondContact O-N 2.81Å; V371-S374 WeakPolarHBondContact O-CB 3.41Å; V371-S374 PolarHBondContact O-N 2.95Å; V371-I375 HydrophobicContact CG1-CD1 3.98Å; V371-I375 WeakPolarHBondContact O-CG1 3.26Å; V371-I375 PolarHBondContact O-N 3.37Å
372V90Very high87.3Confident74 Ų7464.2 Ų64.245%0.44833%0.326SS..Hα-helixtrans-61.5-47.1177.5172.30000111.1I368 F369 S374 I375 I376I368-V372 HydrophobicContact CG2-CG2 4.49Å; I368-V372 WeakPolarHBondContact O-CG2 3.47Å; I368-V372 PolarHBondContact O-N 3.02Å; F369-V372 PolarHBondContact O-N 2.88Å; V372-S374 VanDerWaalsContact C-N 3.27Å; V372-S374 PolarHBondContact O-N 2.92Å; V372-I375 PolarHBondContact O-N 2.82Å; V372-I376 HydrophobicContact CG1-CD1 3.84Å; V372-I376 HydrophobicContact CG1-CG1 4.48Å; V372-I376 WeakPolarHBondContact O-CG1 3.39Å; V372-I376 PolarHBondContact O-N 2.86Å
373V93Very high87.6Confident43 Ų4365.7 Ų65.726%0.26133%0.331SS..Hα-helixtrans-58.6-40.4176.8169.20000111.4F369 F377 F403 L407F369-V373 HydrophobicContact CD1-CG2 4.25Å; F369-V373 HydrophobicContact CD2-CG2 4.39Å; F369-V373 HydrophobicContact CE1-CG2 3.84Å; F369-V373 HydrophobicContact CE2-CG2 3.99Å; F369-V373 HydrophobicContact CZ-CG2 3.7Å; F369-V373 WeakPolarHBondContact O-CG2 3.49Å; F369-V373 PolarHBondContact O-N 3.07Å; V373-F377 WeakPolarHBondContact O-CB 3.46Å; V373-F377 PolarHBondContact O-N 3.09Å; V373-F377 VanDerWaalsContact O-N 3.08Å; V373-F403 HydrophobicContact CG1-CE2 4.38Å; V373-F403 HydrophobicContact CG1-CZ 3.96Å; V373-L407 HydrophobicContact CG1-CD1 4.32Å
374S91.5Very high87.7Confident22 Ų2267.8 Ų67.815%0.15434%0.344CS..Hα-helixtrans-64-43.6176.7-56.80000112.2F370 V371 V372 F377 I378 L407F370-S374 WeakPolarHBondContact O-CB 3.38Å; F370-S374 PolarHBondContact O-N 2.83Å; F370-S374 PolarHBondContact O-OG 2.78Å; V371-S374 WeakPolarHBondContact O-CB 3.41Å; V371-S374 PolarHBondContact O-N 2.95Å; V372-S374 VanDerWaalsContact C-N 3.27Å; V372-S374 PolarHBondContact O-N 2.92Å; S374-F377 PolarHBondContact O-N 2.86Å; S374-I378 VanDerWaalsContact O-CG1 3.28Å; S374-I378 WeakPolarHBondContact O-CG1 3.39Å; S374-I378 PolarHBondContact O-N 2.77Å; S374-L407 VanDerWaalsContact OG-CD1 3.26Å; S374-L407 WeakPolarHBondContact OG-CD1 3.19Å
375I90.6Very high87.6Confident91 Ų9168.3 Ų68.347%0.46735%0.345SS..Hα-helixtrans-64.4-45.3179.2-68166.8000110.9V371 V372 F377 I378 I379V371-I375 HydrophobicContact CG1-CD1 3.98Å; V371-I375 WeakPolarHBondContact O-CG1 3.26Å; V371-I375 PolarHBondContact O-N 3.37Å; V372-I375 PolarHBondContact O-N 2.82Å; I375-F377 VanDerWaalsContact C-N 3.28Å; I375-F377 PolarHBondContact O-N 2.77Å; I375-I378 PolarHBondContact O-N 2.83Å; I375-I379 HydrophobicContact CG2-CD1 3.88Å; I375-I379 WeakPolarHBondContact O-CG1 3.24Å; I375-I379 PolarHBondContact O-N 3.26Å
376I93.3Very high87.3Confident108 Ų10873.9 Ų73.955%0.55436%0.359SS*.Hα-helixtrans-58-44.9177.2-67.5167.6000110.1V372 I379 W380V372-I376 HydrophobicContact CG1-CD1 3.84Å; V372-I376 HydrophobicContact CG1-CG1 4.48Å; V372-I376 WeakPolarHBondContact O-CG1 3.39Å; V372-I376 PolarHBondContact O-N 2.86Å; I376-I379 PolarHBondContact O-N 3.36Å; I376-W380 PolarHBondContact O-N 2.97Å
377F92.4Very high86.9Confident25 Ų2577.5 Ų77.511%0.1138%0.376CS..Hα-helixtrans-64.8-43.8178.3-170.6-99.8000112.4V373 S374 I375 I379 W380 T381 V399 F403 W404V373-F377 WeakPolarHBondContact O-CB 3.46Å; V373-F377 PolarHBondContact O-N 3.09Å; V373-F377 VanDerWaalsContact O-N 3.08Å; S374-F377 PolarHBondContact O-N 2.86Å; I375-F377 VanDerWaalsContact C-N 3.28Å; I375-F377 PolarHBondContact O-N 2.77Å; F377-I379 VanDerWaalsContact C-N 3.3Å; F377-I379 PolarHBondContact O-N 3.09Å; F377-W380 WeakPolarHBondContact O-CB 3.36Å; F377-W380 PolarHBondContact O-N 3.45Å; F377-T381 HydrophobicContact CD1-CG2 3.72Å; F377-T381 HydrophobicContact CD2-CG2 4.43Å; F377-T381 HydrophobicContact CE1-CG2 3.32Å; F377-T381 HydrophobicContact CE2-CG2 4.09Å; F377-T381 HydrophobicContact CG-CG2 4.27Å; F377-T381 HydrophobicContact CZ-CG2 3.52Å; F377-T381 WeakPolarHBondContact O-CG2 3.09Å; F377-T381 PolarHBondContact O-N 3.35Å; F377-T381 PolarHBondContact O-OG1 2.78Å; F377-V399 HydrophobicContact CE2-CG1 4.5Å; F377-V399 HydrophobicContact CZ-CG1 4.49Å; F377-F403 HydrophobicContact CB-CD1 4.17Å; F377-F403 HydrophobicContact CB-CE1 3.44Å; F377-F403 VanDerWaalsContact CB-CE1 3.44Å; F377-F403 HydrophobicContact CB-CE2 4.07Å; F377-F403 HydrophobicContact CB-CZ 3.37Å; F377-F403 HydrophobicContact CD1-CB 4.37Å; F377-F403 AromaticContact CD1-CD1 3.12Å; F377-F403 HydrophobicContact CD1-CD1 3.12Å; F377-F403 HydrophobicContact CD1-CD2 4.36Å; F377-F403 AromaticContact CD1-CE1 3.29Å; F377-F403 HydrophobicContact CD1-CE1 3.29Å; F377-F403 HydrophobicContact CD1-CE2 4.48Å; F377-F403 AromaticContact CD1-CG 3.71Å; F377-F403 HydrophobicContact CD1-CG 3.71Å; F377-F403 AromaticContact CD1-CZ 3.99Å; F377-F403 HydrophobicContact CD1-CZ 3.99Å; F377-F403 HydrophobicContact CD2-CB 4.45Å; F377-F403 AromaticContact CD2-CD1 3.87Å; F377-F403 HydrophobicContact CD2-CD1 3.87Å; F377-F403 AromaticContact CD2-CD2 3.56Å; F377-F403 HydrophobicContact CD2-CD2 3.56Å; F377-F403 AromaticContact CD2-CE1 3.9Å; F377-F403 HydrophobicContact CD2-CE1 3.9Å; F377-F403 AromaticContact CD2-CE2 3.59Å; F377-F403 HydrophobicContact CD2-CE2 3.59Å; F377-F403 AromaticContact CD2-CG 3.68Å; F377-F403 HydrophobicContact CD2-CG 3.68Å; F377-F403 AromaticContact CD2-CZ 3.75Å; F377-F403 HydrophobicContact CD2-CZ 3.75Å; F377-F403 HydrophobicContact CE1-CB 3.65Å; F377-F403 AromaticContact CE1-CD1 3.25Å; F377-F403 HydrophobicContact CE1-CD1 3.25Å; F377-F403 HydrophobicContact CE1-CD2 4.36Å; F377-F403 AromaticContact CE1-CE1 3.95Å; F377-F403 HydrophobicContact CE1-CE1 3.95Å; F377-F403 AromaticContact CE1-CG 3.49Å; F377-F403 HydrophobicContact CE1-CG 3.49Å; F377-F403 VanDerWaalsContact CE1-CG 3.49Å; F377-F403 HydrophobicContact CE2-CB 3.77Å; F377-F403 AromaticContact CE2-CD1 3.99Å; F377-F403 HydrophobicContact CE2-CD1 3.99Å; F377-F403 AromaticContact CE2-CD2 3.57Å; F377-F403 HydrophobicContact CE2-CD2 3.57Å; F377-F403 HydrophobicContact CE2-CE1 4.48Å; F377-F403 HydrophobicContact CE2-CE2 4.11Å; F377-F403 AromaticContact CE2-CG 3.49Å; F377-F403 HydrophobicContact CE2-CG 3.49Å; F377-F403 VanDerWaalsContact CE2-CG 3.49Å; F377-F403 AromaticContact CG-CD1 3.44Å; F377-F403 HydrophobicContact CG-CD1 3.44Å; F377-F403 VanDerWaalsContact CG-CD1 3.44Å; F377-F403 AromaticContact CG-CD2 3.97Å; F377-F403 HydrophobicContact CG-CD2 3.97Å; F377-F403 AromaticContact CG-CE1 3.25Å; F377-F403 HydrophobicContact CG-CE1 3.25Å; F377-F403 AromaticContact CG-CE2 3.8Å; F377-F403 HydrophobicContact CG-CE2 3.8Å; F377-F403 AromaticContact CG-CG 3.79Å; F377-F403 HydrophobicContact CG-CG 3.79Å; F377-F403 AromaticContact CG-CZ 3.43Å; F377-F403 HydrophobicContact CG-CZ 3.43Å; F377-F403 VanDerWaalsContact CG-CZ 3.43Å; F377-F403 HydrophobicContact CZ-CB 3.3Å; F377-F403 AromaticContact CZ-CD1 3.7Å; F377-F403 HydrophobicContact CZ-CD1 3.7Å; F377-F403 AromaticContact CZ-CD2 3.99Å; F377-F403 HydrophobicContact CZ-CD2 3.99Å; F377-F403 AromaticContact CZ-CG 3.38Å; F377-F403 HydrophobicContact CZ-CG 3.38Å; F377-W404 HydrophobicContact CD1-CZ2 4.31Å
378I89.3Confident86.8Confident76 Ų7680 Ų8039%0.3939%0.391SS..Hα-helixtrans-58.3-42.4175.8-69.9163.6000111.5S374 I375 T381 T382 W404S374-I378 VanDerWaalsContact O-CG1 3.28Å; S374-I378 WeakPolarHBondContact O-CG1 3.39Å; S374-I378 PolarHBondContact O-N 2.77Å; I375-I378 PolarHBondContact O-N 2.83Å; I378-T381 PolarHBondContact O-OG1 2.9Å; I378-T382 VanDerWaalsContact O-CB 3.25Å; I378-T382 WeakPolarHBondContact O-CB 3.45Å; I378-T382 PolarHBondContact O-N 3Å; I378-T382 PolarHBondContact O-OG1 2.96Å; I378-W404 HydrophobicContact CD1-CH2 3.85Å; I378-W404 HydrophobicContact CD1-CZ2 4.35Å; I378-W404 HydrophobicContact CG1-CH2 3.72Å; I378-W404 HydrophobicContact CG1-CZ2 3.8Å
379I90.4Very high86.2Confident97 Ų9781.3 Ų81.350%0.49740%0.399SS..Hα-helixtrans-63.1-46.5178-68.2165.6000109.9I375 I376 F377 T382 K383I375-I379 HydrophobicContact CG2-CD1 3.88Å; I375-I379 WeakPolarHBondContact O-CG1 3.24Å; I375-I379 PolarHBondContact O-N 3.26Å; I376-I379 PolarHBondContact O-N 3.36Å; F377-I379 VanDerWaalsContact C-N 3.3Å; F377-I379 PolarHBondContact O-N 3.09Å; I379-T382 PolarHBondContact O-N 2.94Å; I379-K383 WeakPolarHBondContact O-CB 3.39Å; I379-K383 VanDerWaalsContact O-CG 3.25Å; I379-K383 WeakPolarHBondContact O-CG 3.42Å; I379-K383 PolarHBondContact O-N 3.46Å
380W90Very high85.8Confident169 Ų16975.8 Ų75.864%0.6438%0.377SS*.Hα-helixtrans-59.4-51.6177.2179-91000111.9I376 F377 T382 K383 V384I376-W380 PolarHBondContact O-N 2.97Å; F377-W380 WeakPolarHBondContact O-CB 3.36Å; F377-W380 PolarHBondContact O-N 3.45Å; W380-T382 VanDerWaalsContact C-N 3.33Å; W380-T382 PolarHBondContact O-N 2.81Å; W380-K383 PolarHBondContact O-N 3.4Å; W380-V384 HydrophobicContact CD2-CG2 4.27Å; W380-V384 HydrophobicContact CZ2-CG2 4.19Å; W380-V384 WeakPolarHBondContact O-CG2 3.48Å; W380-V384 PolarHBondContact O-N 3.38Å
381T86.9Confident85.5Confident13 Ų1375.3 Ų75.38%0.0838%0.375CS..Hα-helixtrans-65.8-35.3-178.858.50000112.3F377 I378 F385F377-T381 HydrophobicContact CD1-CG2 3.72Å; F377-T381 HydrophobicContact CD2-CG2 4.43Å; F377-T381 HydrophobicContact CE1-CG2 3.32Å; F377-T381 HydrophobicContact CE2-CG2 4.09Å; F377-T381 HydrophobicContact CG-CG2 4.27Å; F377-T381 HydrophobicContact CZ-CG2 3.52Å; F377-T381 WeakPolarHBondContact O-CG2 3.09Å; F377-T381 PolarHBondContact O-N 3.35Å; F377-T381 PolarHBondContact O-OG1 2.78Å; I378-T381 PolarHBondContact O-OG1 2.9Å; T381-F385 HydrophobicContact CG2-CD2 4.08Å; T381-F385 HydrophobicContact CG2-CE2 4.15Å; T381-F385 WeakPolarHBondContact O-CA 3.45Å; T381-F385 VanDerWaalsContact O-CB 3.3Å; T381-F385 WeakPolarHBondContact O-CB 3.44Å; T381-F385 PolarHBondContact O-N 2.9Å
382T85.1Confident85.2Confident56 Ų5680.6 Ų80.634%0.34439%0.39SS..Iπ-helixtrans-64-43.5174.1-59.30000111.1I378 I379 W380 R386 L387I378-T382 VanDerWaalsContact O-CB 3.25Å; I378-T382 WeakPolarHBondContact O-CB 3.45Å; I378-T382 PolarHBondContact O-N 3Å; I378-T382 PolarHBondContact O-OG1 2.96Å; I379-T382 PolarHBondContact O-N 2.94Å; W380-T382 VanDerWaalsContact C-N 3.33Å; W380-T382 PolarHBondContact O-N 2.81Å; T382-R386 HydrophobicContact CG2-CB 4.25Å; T382-R386 WeakPolarHBondContact O-CB 3.34Å; T382-R386 PolarHBondContact O-N 2.96Å; T382-L387 HydrophobicContact CG2-CD1 4.44Å; T382-L387 HydrophobicContact CG2-CG 4.43Å; T382-L387 PolarHBondContact O-N 2.68Å
383K85.2Confident84.8Confident139 Ų13978.6 Ų78.660%0.60438%0.384SS*.Iπ-helixtrans-65.5-43.2178.1-72-78.5174.9-177.20112.6I379 W380 L387I379-K383 WeakPolarHBondContact O-CB 3.39Å; I379-K383 VanDerWaalsContact O-CG 3.25Å; I379-K383 WeakPolarHBondContact O-CG 3.42Å; I379-K383 PolarHBondContact O-N 3.46Å; W380-K383 PolarHBondContact O-N 3.4Å; K383-L387 HydrophobicContact CD-CD1 3.92Å
384V81.6Confident84.4Confident54 Ų5477.5 Ų77.533%0.32738%0.375SS..Iπ-helixtrans-84.2-45.1-173.9175.80000112.1W380 V388 Q391W380-V384 HydrophobicContact CD2-CG2 4.27Å; W380-V384 HydrophobicContact CZ2-CG2 4.19Å; W380-V384 WeakPolarHBondContact O-CG2 3.48Å; W380-V384 PolarHBondContact O-N 3.38Å; V384-V388 WeakPolarHBondContact O-CG2 3.36Å; V384-Q391 PolarHBondContact O-OE1 3.48Å
385F78.3Confident84.1Confident31 Ų3182.9 Ų82.914%0.13639%0.392CS..Iπ-helixtrans-100.3-29.8-170.6-61.2-70.8000114.9T381 Q391 D396 L397T381-F385 HydrophobicContact CG2-CD2 4.08Å; T381-F385 HydrophobicContact CG2-CE2 4.15Å; T381-F385 WeakPolarHBondContact O-CA 3.45Å; T381-F385 VanDerWaalsContact O-CB 3.3Å; T381-F385 WeakPolarHBondContact O-CB 3.44Å; T381-F385 PolarHBondContact O-N 2.9Å; F385-Q391 PolarHBondContact O-NE2 3.03Å; F385-D396 HydrophobicContact CZ-CB 4.25Å; F385-L397 HydrophobicContact CD1-CD2 4.05Å; F385-L397 HydrophobicContact CE1-CD2 4.2Å; F385-L397 HydrophobicContact CE1-CG 4.4Å
386R76.4Confident83.8Confident214 Ų21482.8 Ų82.881%0.80839%0.393SS*.Iπ-helixtrans-98.9-36.6-172.7-64.8-69.6-170.7166.10.8114.1T382T382-R386 HydrophobicContact CG2-CB 4.25Å; T382-R386 WeakPolarHBondContact O-CB 3.34Å; T382-R386 PolarHBondContact O-N 2.96Å
387L77.4Confident83.4Confident113 Ų11379.9 Ų79.959%0.59238%0.378SS*.SBendtrans-86.3-10.9-174.6-72.2173.6000114.2T382 K383T382-L387 HydrophobicContact CG2-CD1 4.44Å; T382-L387 HydrophobicContact CG2-CG 4.43Å; T382-L387 PolarHBondContact O-N 2.68Å; K383-L387 HydrophobicContact CD-CD1 3.92Å
388V79.3Confident83.2Confident65 Ų6582.2 Ų82.239%0.39439%0.386SS..  trans-93.7121.2-177.8-171.10000110.2N41 V384 C390N41-V388 PolarHBondContact ND2-O 3.42Å; V384-V388 WeakPolarHBondContact O-CG2 3.36Å; V388-C390 VanDerWaalsContact CG1-O 3.24Å; V388-C390 WeakPolarHBondContact CG1-O 3.43Å; V388-C390 PolarHBondContact O-N 3.44Å
389D74.4Confident83.2Confident115 Ų11581 Ų8162%0.61538%0.383SS*.SBendtrans-55.7-38.7174.7-84.9-62.3000112.2N41 K63N41-D389 PolarHBondContact ND2-O 2.9Å; K63-D389 IonicContact NZ-OD1 3.41Å
390C80.9Confident83Confident18 Ų1879.4 Ų79.412%0.12238%0.375CS..SBendtrans-119.6101.9-179.6-164.50000114.6C39 V388 R392C39-C390 WeakPolarHBondContact CA-SG 3.28Å; C39-C390 HydrophobicContact CB-CB 4.4Å; C39-C390 WeakPolarHBondContact CB-SG 3.31Å; C39-C390 WeakPolarHBondContact SG-CA 3.09Å; C39-C390 WeakPolarHBondContact SG-CB 3.21Å; C39-C390 CovalentContact SG-SG 2.04Å; C39-C390 PolarHBondContact SG-SG 2.86Å; V388-C390 VanDerWaalsContact CG1-O 3.24Å; V388-C390 WeakPolarHBondContact CG1-O 3.43Å; V388-C390 PolarHBondContact O-N 3.44Å; C390-R392 PolarHBondContact O-N 3.34Å; C390-R392 VanDerWaalsContact O-N 3.09Å
391Q82.4Confident82.8Confident11 Ų1173.5 Ų73.55%0.05136%0.356CS..  trans-74.593.8177.2-169.892.8-88.900111.4Y40 V384 F385Y40-Q391 WeakPolarHBondContact CB-O 3.21Å; Y40-Q391 PolarHBondContact N-O 3.44Å; Y40-Q391 VanDerWaalsContact N-O 3.15Å; V384-Q391 PolarHBondContact O-OE1 3.48Å; F385-Q391 PolarHBondContact O-NE2 3.03Å
392R81.3Confident83Confident159 Ų15973.1 Ų73.160%0.635%0.354SS*.  trans-82.2-30.3174.2-62.7-169.7177.2161.1-1.3113V38 G65 C390 W394V38-R392 HydrophobicContact CG1-CG 4.03Å; G65-R392 PolarHBondContact O-NH2 2.96Å; C390-R392 PolarHBondContact O-N 3.34Å; C390-R392 VanDerWaalsContact O-N 3.09Å; R392-W394 VanDerWaalsContact O-CD1 3.23Å; R392-W394 PolarHBondContact O-N 2.98Å
393G81.9Confident83.3Confident32 Ų3272.4 Ų72.433%0.3335%0.346SS..  trans-78.541179.300000114R395 D396G393-R395 PolarHBondContact O-N 2.96Å; G393-D396 PolarHBondContact O-N 3.29Å
394W84.6Confident83.5Confident19 Ų1970.6 Ų70.67%0.07234%0.336CS..G310 helixtrans-63.6-22.3-176.460-98.8000113.2T4 Y40 D133 P178 R392 D396 L397T4-W394 HydrophobicContact CG2-CD2 4.47Å; T4-W394 HydrophobicContact CG2-CE3 4.09Å; T4-W394 HydrophobicContact CG2-CZ3 4.4Å; Y40-W394 HydrophobicContact CD2-CB 3.59Å; Y40-W394 HydrophobicContact CD2-CG 4.37Å; Y40-W394 HydrophobicContact CE2-CB 4.43Å; Y40-W394 HydrophobicContact CG-CB 3.92Å; D133-W394 HydrophobicContact CB-CH2 4.48Å; D133-W394 HydrophobicContact CB-CZ2 4.43Å; P178-W394 HydrophobicContact CB-CH2 3.86Å; P178-W394 HydrophobicContact CB-CZ3 3.74Å; P178-W394 HydrophobicContact CG-CH2 4.49Å; R392-W394 VanDerWaalsContact O-CD1 3.23Å; R392-W394 PolarHBondContact O-N 2.98Å; W394-D396 PolarHBondContact O-N 3.09Å; W394-L397 HydrophobicContact CB-CD1 3.88Å; W394-L397 WeakPolarHBondContact O-CB 3.4Å; W394-L397 WeakPolarHBondContact O-CD1 3.32Å; W394-L397 WeakPolarHBondContact O-CG 3.19Å; W394-L397 PolarHBondContact O-N 3.15Å
395R84.6Confident84Confident135 Ų13569.2 Ų69.251%0.50933%0.325SS..G310 helixtrans-64.8-21.1174.4-72.8-177.7173.1159.8-5.6113.2D133 G393 W398D133-R395 IonicContact OD2-NH2 3.49Å; D133-R395 PolarHBondContact OD2-NH2 3.17Å; G393-R395 PolarHBondContact O-N 2.96Å; R395-W398 PolarHBondContact O-NE1 3.36Å
396D84.8Confident84.6Confident89 Ų8971.3 Ų71.348%0.47634%0.337SS..G310 helixtrans-993-178-57.7-36.1000112.8F385 G393 W394 W398 V399F385-D396 HydrophobicContact CZ-CB 4.25Å; G393-D396 PolarHBondContact O-N 3.29Å; W394-D396 PolarHBondContact O-N 3.09Å; D396-W398 PolarHBondContact O-N 2.82Å; D396-V399 HydrophobicContact CB-CG2 4.26Å; D396-V399 WeakPolarHBondContact O-CB 3.29Å; D396-V399 WeakPolarHBondContact O-CG2 3.38Å; D396-V399 PolarHBondContact O-N 3.4Å
397L84.2Confident85.3Confident47 Ų4762.2 Ų62.225%0.24630%0.304CS..Hα-helixtrans-59.3-33.5-179.4-80.1161.3000112.9Y40 F385 W394 V399 D400Y40-L397 HydrophobicContact CD1-CD1 3.91Å; Y40-L397 HydrophobicContact CD2-CD1 3.86Å; Y40-L397 HydrophobicContact CE1-CD1 3.68Å; Y40-L397 HydrophobicContact CE2-CD1 3.61Å; Y40-L397 HydrophobicContact CG-CD1 4Å; F385-L397 HydrophobicContact CD1-CD2 4.05Å; F385-L397 HydrophobicContact CE1-CD2 4.2Å; F385-L397 HydrophobicContact CE1-CG 4.4Å; W394-L397 HydrophobicContact CB-CD1 3.88Å; W394-L397 WeakPolarHBondContact O-CB 3.4Å; W394-L397 WeakPolarHBondContact O-CD1 3.32Å; W394-L397 WeakPolarHBondContact O-CG 3.19Å; W394-L397 PolarHBondContact O-N 3.15Å; L397-V399 PolarHBondContact O-N 3.26Å; L397-D400 PolarHBondContact O-N 3.18Å
398W88.3Confident85.9Confident74 Ų7458.7 Ų58.728%0.2828%0.284SS..Hα-helixtrans-66.8-21.3177.869.6-88.3000112.7P182 L183 R395 D396 D400 D401 A402P182-W398 HydrophobicContact CB-CD2 3.8Å; P182-W398 HydrophobicContact CB-CE3 4.39Å; P182-W398 HydrophobicContact CB-CG 4.03Å; P182-W398 HydrophobicContact CB-CZ2 4.06Å; P182-W398 HydrophobicContact CG-CG 4.46Å; L183-W398 HydrophobicContact CB-CB 4.2Å; R395-W398 PolarHBondContact O-NE1 3.36Å; D396-W398 PolarHBondContact O-N 2.82Å; W398-D400 VanDerWaalsContact C-N 3.28Å; W398-D400 PolarHBondContact O-N 3.06Å; W398-D401 PolarHBondContact O-N 2.82Å; W398-A402 HydrophobicContact CE3-CB 3.7Å; W398-A402 HydrophobicContact CZ3-CB 3.78Å; W398-A402 VanDerWaalsContact O-CB 3.31Å; W398-A402 WeakPolarHBondContact O-CB 3.15Å; W398-A402 PolarHBondContact O-N 2.85Å
399V89Confident86.5Confident52 Ų5255.8 Ų55.832%0.31527%0.267SS..Hα-helixtrans-64.5-35.4-179.4179.70000110.8F377 D396 L397 A402 F403F377-V399 HydrophobicContact CE2-CG1 4.5Å; F377-V399 HydrophobicContact CZ-CG1 4.49Å; D396-V399 HydrophobicContact CB-CG2 4.26Å; D396-V399 WeakPolarHBondContact O-CB 3.29Å; D396-V399 WeakPolarHBondContact O-CG2 3.38Å; D396-V399 PolarHBondContact O-N 3.4Å; L397-V399 PolarHBondContact O-N 3.26Å; V399-A402 PolarHBondContact O-N 3.04Å; V399-F403 WeakPolarHBondContact O-CB 2.9Å; V399-F403 PolarHBondContact O-N 3.46Å
400D86.3Confident87.3Confident62 Ų6252.9 Ų52.933%0.33225%0.253SS..Hα-helixtrans-60.4-50.5176.7-173.467.2000110.8L397 W398L397-D400 PolarHBondContact O-N 3.18Å; W398-D400 VanDerWaalsContact C-N 3.28Å; W398-D400 PolarHBondContact O-N 3.06Å
401D85.4Confident87.7Confident46 Ų4653.9 Ų53.925%0.24626%0.256CS..Hα-helixtrans-67.6-41178.4-172.128.2000112.4W398 R405W398-D401 PolarHBondContact O-N 2.82Å; D401-R405 WeakPolarHBondContact O-CG 3.45Å; D401-R405 IonicContact OD1-CZ 2.77Å; D401-R405 IonicContact OD1-NE 3.1Å; D401-R405 PolarHBondContact OD1-NE 2.74Å; D401-R405 IonicContact OD1-NH2 3.99Å; D401-R405 PolarHBondContact OD1-NH2 2.79Å; D401-R405 VanDerWaalsContact OD1-NH2 3.1Å; D401-R405 IonicContact OD2-CZ 3.98Å; D401-R405 IonicContact OD2-NE 3.57Å; D401-R405 PolarHBondContact OD2-NE 2.82Å; D401-R405 IonicContact OD2-NH2 3.61Å; D401-R405 PolarHBondContact OD2-NH2 3.48Å
402A91Very high88Confident5 Ų553.9 Ų53.94%0.04126%0.257CS..Hα-helixtrans-65.3-40.5179.600000112.6F186 W398 V399 W404 R405 L406F186-A402 HydrophobicContact CD1-CB 4.11Å; F186-A402 HydrophobicContact CD2-CB 3.94Å; F186-A402 HydrophobicContact CE1-CB 3.92Å; F186-A402 HydrophobicContact CE2-CB 3.72Å; F186-A402 HydrophobicContact CG-CB 4.11Å; F186-A402 HydrophobicContact CZ-CB 3.72Å; F186-A402 VanDerWaalsContact CZ-O 3.3Å; F186-A402 WeakPolarHBondContact CZ-O 2.97Å; W398-A402 HydrophobicContact CE3-CB 3.7Å; W398-A402 HydrophobicContact CZ3-CB 3.78Å; W398-A402 VanDerWaalsContact O-CB 3.31Å; W398-A402 WeakPolarHBondContact O-CB 3.15Å; W398-A402 PolarHBondContact O-N 2.85Å; V399-A402 PolarHBondContact O-N 3.04Å; A402-W404 PolarHBondContact O-N 2.92Å; A402-R405 PolarHBondContact O-N 3.07Å; A402-L406 WeakPolarHBondContact O-CB 3.19Å; A402-L406 PolarHBondContact O-N 3Å
403F91.4Very high88.4Confident40 Ų4049.3 Ų49.318%0.17524%0.244CC..Hα-helixtrans-59.5-49.3-177.6174.6-93.4000112.1V373 F377 V399 R405 L406 L407V373-F403 HydrophobicContact CG1-CE2 4.38Å; V373-F403 HydrophobicContact CG1-CZ 3.96Å; F377-F403 HydrophobicContact CB-CD1 4.17Å; F377-F403 HydrophobicContact CB-CE1 3.44Å; F377-F403 VanDerWaalsContact CB-CE1 3.44Å; F377-F403 HydrophobicContact CB-CE2 4.07Å; F377-F403 HydrophobicContact CB-CZ 3.37Å; F377-F403 HydrophobicContact CD1-CB 4.37Å; F377-F403 AromaticContact CD1-CD1 3.12Å; F377-F403 HydrophobicContact CD1-CD1 3.12Å; F377-F403 HydrophobicContact CD1-CD2 4.36Å; F377-F403 AromaticContact CD1-CE1 3.29Å; F377-F403 HydrophobicContact CD1-CE1 3.29Å; F377-F403 HydrophobicContact CD1-CE2 4.48Å; F377-F403 AromaticContact CD1-CG 3.71Å; F377-F403 HydrophobicContact CD1-CG 3.71Å; F377-F403 AromaticContact CD1-CZ 3.99Å; F377-F403 HydrophobicContact CD1-CZ 3.99Å; F377-F403 HydrophobicContact CD2-CB 4.45Å; F377-F403 AromaticContact CD2-CD1 3.87Å; F377-F403 HydrophobicContact CD2-CD1 3.87Å; F377-F403 AromaticContact CD2-CD2 3.56Å; F377-F403 HydrophobicContact CD2-CD2 3.56Å; F377-F403 AromaticContact CD2-CE1 3.9Å; F377-F403 HydrophobicContact CD2-CE1 3.9Å; F377-F403 AromaticContact CD2-CE2 3.59Å; F377-F403 HydrophobicContact CD2-CE2 3.59Å; F377-F403 AromaticContact CD2-CG 3.68Å; F377-F403 HydrophobicContact CD2-CG 3.68Å; F377-F403 AromaticContact CD2-CZ 3.75Å; F377-F403 HydrophobicContact CD2-CZ 3.75Å; F377-F403 HydrophobicContact CE1-CB 3.65Å; F377-F403 AromaticContact CE1-CD1 3.25Å; F377-F403 HydrophobicContact CE1-CD1 3.25Å; F377-F403 HydrophobicContact CE1-CD2 4.36Å; F377-F403 AromaticContact CE1-CE1 3.95Å; F377-F403 HydrophobicContact CE1-CE1 3.95Å; F377-F403 AromaticContact CE1-CG 3.49Å; F377-F403 HydrophobicContact CE1-CG 3.49Å; F377-F403 VanDerWaalsContact CE1-CG 3.49Å; F377-F403 HydrophobicContact CE2-CB 3.77Å; F377-F403 AromaticContact CE2-CD1 3.99Å; F377-F403 HydrophobicContact CE2-CD1 3.99Å; F377-F403 AromaticContact CE2-CD2 3.57Å; F377-F403 HydrophobicContact CE2-CD2 3.57Å; F377-F403 HydrophobicContact CE2-CE1 4.48Å; F377-F403 HydrophobicContact CE2-CE2 4.11Å; F377-F403 AromaticContact CE2-CG 3.49Å; F377-F403 HydrophobicContact CE2-CG 3.49Å; F377-F403 VanDerWaalsContact CE2-CG 3.49Å; F377-F403 AromaticContact CG-CD1 3.44Å; F377-F403 HydrophobicContact CG-CD1 3.44Å; F377-F403 VanDerWaalsContact CG-CD1 3.44Å; F377-F403 AromaticContact CG-CD2 3.97Å; F377-F403 HydrophobicContact CG-CD2 3.97Å; F377-F403 AromaticContact CG-CE1 3.25Å; F377-F403 HydrophobicContact CG-CE1 3.25Å; F377-F403 AromaticContact CG-CE2 3.8Å; F377-F403 HydrophobicContact CG-CE2 3.8Å; F377-F403 AromaticContact CG-CG 3.79Å; F377-F403 HydrophobicContact CG-CG 3.79Å; F377-F403 AromaticContact CG-CZ 3.43Å; F377-F403 HydrophobicContact CG-CZ 3.43Å; F377-F403 VanDerWaalsContact CG-CZ 3.43Å; F377-F403 HydrophobicContact CZ-CB 3.3Å; F377-F403 AromaticContact CZ-CD1 3.7Å; F377-F403 HydrophobicContact CZ-CD1 3.7Å; F377-F403 AromaticContact CZ-CD2 3.99Å; F377-F403 HydrophobicContact CZ-CD2 3.99Å; F377-F403 AromaticContact CZ-CG 3.38Å; F377-F403 HydrophobicContact CZ-CG 3.38Å; V399-F403 WeakPolarHBondContact O-CB 2.9Å; V399-F403 PolarHBondContact O-N 3.46Å; F403-R405 VanDerWaalsContact C-N 3.28Å; F403-R405 PolarHBondContact O-N 3.22Å; F403-L406 PolarHBondContact O-N 2.77Å; F403-L407 HydrophobicContact CE1-CD1 3.73Å; F403-L407 HydrophobicContact CZ-CD1 3.76Å; F403-L407 WeakPolarHBondContact O-CB 3.42Å; F403-L407 PolarHBondContact O-N 3.36Å
404W90.1Very high88.7Confident101 Ų10149.5 Ų49.538%0.38324%0.239SC..Hα-helixtrans-61.1-38.6180-67112.9000112.3F377 I378 A402 F408F377-W404 HydrophobicContact CD1-CZ2 4.31Å; I378-W404 HydrophobicContact CD1-CH2 3.85Å; I378-W404 HydrophobicContact CD1-CZ2 4.35Å; I378-W404 HydrophobicContact CG1-CH2 3.72Å; I378-W404 HydrophobicContact CG1-CZ2 3.8Å; A402-W404 PolarHBondContact O-N 2.92Å; W404-F408 WeakPolarHBondContact O-CB 3.46Å; W404-F408 PolarHBondContact O-N 3.35Å; W404-F408 VanDerWaalsContact O-N 3.12Å
405R91.1Very high88.6Confident26 Ų2649.3 Ų49.310%0.09824%0.239CC..Hα-helixtrans-70.1-38.5177.7-64.3172.8-169.7-130.226.9111.6F186 E229 D401 A402 F403 S409F186-R405 HydrophobicContact CE1-CB 4.13Å; F186-R405 HydrophobicContact CZ-CB 4.14Å; E229-R405 IonicContact OE1-NH1 4Å; D401-R405 WeakPolarHBondContact O-CG 3.45Å; D401-R405 IonicContact OD1-CZ 2.77Å; D401-R405 IonicContact OD1-NE 3.1Å; D401-R405 PolarHBondContact OD1-NE 2.74Å; D401-R405 IonicContact OD1-NH2 3.99Å; D401-R405 PolarHBondContact OD1-NH2 2.79Å; D401-R405 VanDerWaalsContact OD1-NH2 3.1Å; D401-R405 IonicContact OD2-CZ 3.98Å; D401-R405 IonicContact OD2-NE 3.57Å; D401-R405 PolarHBondContact OD2-NE 2.82Å; D401-R405 IonicContact OD2-NH2 3.61Å; D401-R405 PolarHBondContact OD2-NH2 3.48Å; A402-R405 PolarHBondContact O-N 3.07Å; F403-R405 VanDerWaalsContact C-N 3.28Å; F403-R405 PolarHBondContact O-N 3.22Å; R405-S409 WeakPolarHBondContact O-CB 3.22Å; R405-S409 PolarHBondContact O-N 3.18Å
406L92.5Very high88.7Confident75 Ų7543 Ų4339%0.39322%0.215SC..Hα-helixtrans-68.7-43.3176.3-175.9151.7000111.7F186 M190 A402 F403 F408 S409 T410F186-L406 HydrophobicContact CE2-CB 4.47Å; F186-L406 HydrophobicContact CZ-CB 4.44Å; M190-L406 HydrophobicContact CE-CB 3.91Å; M190-L406 HydrophobicContact CE-CD1 3.73Å; M190-L406 HydrophobicContact CE-CG 3.83Å; A402-L406 WeakPolarHBondContact O-CB 3.19Å; A402-L406 PolarHBondContact O-N 3Å; F403-L406 PolarHBondContact O-N 2.77Å; L406-F408 VanDerWaalsContact C-N 3.32Å; L406-F408 PolarHBondContact O-N 3.48Å; L406-S409 WeakPolarHBondContact O-CB 3.29Å; L406-S409 PolarHBondContact O-N 3.48Å; L406-T410 WeakPolarHBondContact O-CB 3.5Å; L406-T410 PolarHBondContact O-N 2.91Å; L406-T410 PolarHBondContact O-OG1 3.4Å
407L91.2Very high88.7Confident22 Ų2243 Ų4312%0.11522%0.218CC..Hα-helixtrans-59.4-46.3176.7-169.7154.5000110.3F370 V373 S374 F403 S409 T410 M411F370-L407 HydrophobicContact CD1-CD2 3.98Å; F370-L407 HydrophobicContact CD1-CG 3.99Å; F370-L407 HydrophobicContact CE1-CG 4.49Å; V373-L407 HydrophobicContact CG1-CD1 4.32Å; S374-L407 VanDerWaalsContact OG-CD1 3.26Å; S374-L407 WeakPolarHBondContact OG-CD1 3.19Å; F403-L407 HydrophobicContact CE1-CD1 3.73Å; F403-L407 HydrophobicContact CZ-CD1 3.76Å; F403-L407 WeakPolarHBondContact O-CB 3.42Å; F403-L407 PolarHBondContact O-N 3.36Å; L407-S409 PolarHBondContact O-N 3.2Å; L407-T410 PolarHBondContact O-N 2.78Å; L407-M411 WeakPolarHBondContact O-CB 3.46Å; L407-M411 PolarHBondContact O-N 2.85Å
408F90.1Very high88.5Confident39 Ų3942.5 Ų42.517%0.17122%0.216CC..Hα-helixtrans-58.9-45.8174.1-179.9-87000112.6Y194 V222 K261 A265 W404 L406 T410 M411 L412Y194-F408 WeakPolarHBondContact OH-CD1 3.17Å; V222-F408 HydrophobicContact CG1-CZ 4.38Å; K261-F408 HydrophobicContact CD-CE1 3.96Å; K261-F408 HydrophobicContact CD-CZ 4.28Å; K261-F408 HydrophobicContact CG-CE1 4.44Å; K261-F408 HydrophobicContact CG-CZ 4.29Å; K261-F408 VanDerWaalsContact NZ-CD1 3.31Å; A265-F408 HydrophobicContact CB-CE2 3.35Å; A265-F408 HydrophobicContact CB-CZ 3.45Å; A265-F408 VanDerWaalsContact CB-CZ 3.45Å; W404-F408 WeakPolarHBondContact O-CB 3.46Å; W404-F408 PolarHBondContact O-N 3.35Å; W404-F408 VanDerWaalsContact O-N 3.12Å; L406-F408 VanDerWaalsContact C-N 3.32Å; L406-F408 PolarHBondContact O-N 3.48Å; F408-T410 VanDerWaalsContact C-N 3.33Å; F408-T410 PolarHBondContact O-N 3.04Å; F408-M411 PolarHBondContact O-N 3.49Å; F408-L412 HydrophobicContact CE1-CD1 4.15Å; F408-L412 PolarHBondContact O-N 3.36Å
409S90.9Very high87.9Confident5 Ų540.4 Ų40.44%0.03521%0.21CC..Hα-helixtrans-61.4-43178.4-177.60000111.7R405 L406 L407 L412 L413R405-S409 WeakPolarHBondContact O-CB 3.22Å; R405-S409 PolarHBondContact O-N 3.18Å; L406-S409 WeakPolarHBondContact O-CB 3.29Å; L406-S409 PolarHBondContact O-N 3.48Å; L407-S409 PolarHBondContact O-N 3.2Å; S409-L412 PolarHBondContact O-N 3.42Å; S409-L413 PolarHBondContact O-N 3.08Å
410T91.1Very high87.5Confident53 Ų5343.4 Ų43.433%0.32522%0.215SC..Hα-helixtrans-66.2-41177.7-49.50000111.1F370 L406 L407 F408 L412 L413 V414F370-T410 HydrophobicContact CE1-CG2 4Å; F370-T410 HydrophobicContact CZ-CG2 3.88Å; L406-T410 WeakPolarHBondContact O-CB 3.5Å; L406-T410 PolarHBondContact O-N 2.91Å; L406-T410 PolarHBondContact O-OG1 3.4Å; L407-T410 PolarHBondContact O-N 2.78Å; F408-T410 VanDerWaalsContact C-N 3.33Å; F408-T410 PolarHBondContact O-N 3.04Å; T410-L412 VanDerWaalsContact C-N 3.34Å; T410-L412 PolarHBondContact O-N 3.49Å; T410-L413 WeakPolarHBondContact O-CB 3.31Å; T410-L413 PolarHBondContact O-N 3.43Å; T410-V414 WeakPolarHBondContact O-CG2 3.49Å; T410-V414 PolarHBondContact O-N 3.37Å
411M88.6Confident86.5Confident39 Ų3940.7 Ų40.719%0.19220%0.201CC..Hα-helixtrans-61.4-43.2174.4-174.7-173.2-173.300111.6V269 F370 L407 F408 L413 V414 I415V269-M411 HydrophobicContact CB-CE 4.45Å; V269-M411 HydrophobicContact CG1-CE 4.13Å; V269-M411 HydrophobicContact CG2-CE 3.44Å; V269-M411 VanDerWaalsContact CG2-CE 3.44Å; F370-M411 HydrophobicContact CD2-CB 4.43Å; F370-M411 HydrophobicContact CD2-CG 4.34Å; F370-M411 HydrophobicContact CE1-CB 4.41Å; F370-M411 HydrophobicContact CE2-CB 4.09Å; F370-M411 HydrophobicContact CE2-CG 4.27Å; F370-M411 HydrophobicContact CZ-CB 4.09Å; L407-M411 WeakPolarHBondContact O-CB 3.46Å; L407-M411 PolarHBondContact O-N 2.85Å; F408-M411 PolarHBondContact O-N 3.49Å; M411-L413 VanDerWaalsContact C-N 3.34Å; M411-L413 PolarHBondContact O-N 2.86Å; M411-V414 PolarHBondContact O-N 3.11Å; M411-I415 HydrophobicContact CE-CD1 4.32Å; M411-I415 HydrophobicContact CG-CD1 4.14Å; M411-I415 WeakPolarHBondContact O-CG1 3.49Å; M411-I415 PolarHBondContact O-N 3.13Å
412L88.8Confident85.5Confident11 Ų1141.3 Ų41.36%0.05821%0.209CC..Hα-helixtrans-61.4-43.1175.8-174.1151.8000111.4Y194 F197 V222 I223 F408 S409 T410 V414 I415 M416Y194-L412 HydrophobicContact CE1-CD1 4.45Å; F197-L412 HydrophobicContact CD2-CD2 4.1Å; V222-L412 HydrophobicContact CG1-CD1 3.82Å; I223-L412 HydrophobicContact CD1-CD2 4.27Å; I223-L412 HydrophobicContact CG1-CD1 4.19Å; I223-L412 HydrophobicContact CG1-CD2 3.79Å; F408-L412 HydrophobicContact CE1-CD1 4.15Å; F408-L412 PolarHBondContact O-N 3.36Å; S409-L412 PolarHBondContact O-N 3.42Å; T410-L412 VanDerWaalsContact C-N 3.34Å; T410-L412 PolarHBondContact O-N 3.49Å; L412-V414 VanDerWaalsContact C-N 3.33Å; L412-V414 PolarHBondContact O-N 3.5Å; L412-I415 PolarHBondContact O-N 2.84Å; L412-M416 WeakPolarHBondContact O-CB 3.14Å; L412-M416 PolarHBondContact O-N 2.86Å
413L89.6Confident83.6Confident64 Ų6446 Ų4634%0.33524%0.237SC..Hα-helixtrans-59.8-43.5175.7177.264.5000111.6F197 S409 T410 M411 M416 V417F197-L413 HydrophobicContact CD1-CD1 4.21Å; F197-L413 HydrophobicContact CE1-CB 4.5Å; F197-L413 HydrophobicContact CE1-CD1 3.64Å; F197-L413 HydrophobicContact CE1-CD2 4.33Å; F197-L413 HydrophobicContact CE1-CG 4.37Å; F197-L413 HydrophobicContact CE2-CB 4.07Å; F197-L413 HydrophobicContact CZ-CB 3.82Å; F197-L413 HydrophobicContact CZ-CD1 3.84Å; F197-L413 HydrophobicContact CZ-CD2 4.04Å; F197-L413 HydrophobicContact CZ-CG 4.11Å; S409-L413 PolarHBondContact O-N 3.08Å; T410-L413 WeakPolarHBondContact O-CB 3.31Å; T410-L413 PolarHBondContact O-N 3.43Å; M411-L413 VanDerWaalsContact C-N 3.34Å; M411-L413 PolarHBondContact O-N 2.86Å; L413-M416 HydrophobicContact CD1-SD 4.42Å; L413-M416 WeakPolarHBondContact O-CB 3.08Å; L413-M416 PolarHBondContact O-N 3.22Å; L413-V417 WeakPolarHBondContact O-CG2 3.34Å; L413-V417 PolarHBondContact O-N 2.81Å
414V88.2Confident81.7Confident36 Ų3648.1 Ų48.122%0.21825%0.25CS..Hα-helixtrans-63.1-46.8177174.10000110.7T366 F370 T410 M411 L412 M416 V417 L418T366-V414 HydrophobicContact CG2-CB 4.3Å; T366-V414 HydrophobicContact CG2-CG1 3.57Å; T366-V414 HydrophobicContact CG2-CG2 4.18Å; F370-V414 HydrophobicContact CE2-CB 4.38Å; F370-V414 HydrophobicContact CE2-CG2 4.09Å; F370-V414 HydrophobicContact CZ-CG2 4.09Å; T410-V414 WeakPolarHBondContact O-CG2 3.49Å; T410-V414 PolarHBondContact O-N 3.37Å; M411-V414 PolarHBondContact O-N 3.11Å; L412-V414 VanDerWaalsContact C-N 3.33Å; L412-V414 PolarHBondContact O-N 3.5Å; V414-M416 PolarHBondContact O-N 3.37Å; V414-V417 PolarHBondContact O-N 3.05Å; V414-V417 VanDerWaalsContact O-N 3.13Å; V414-L418 HydrophobicContact CB-CD1 4.49Å; V414-L418 HydrophobicContact CG1-CD1 3.27Å; V414-L418 WeakPolarHBondContact O-CD1 3.35Å; V414-L418 PolarHBondContact O-N 2.04Å
415I84.1Confident80Confident14 Ų1445.1 Ų45.17%0.07225%0.245CC..Hα-helixtrans-57.2-41.7175.4-68.2167.6000110.7I219 L268 V269 F363 M411 L412 V417 L418 L419I219-I415 HydrophobicContact CD1-CG2 4.45Å; L268-I415 HydrophobicContact CD2-CD1 4.42Å; L268-I415 HydrophobicContact CD2-CG2 3.99Å; V269-I415 HydrophobicContact CG2-CD1 4.06Å; F363-I415 HydrophobicContact CE2-CG1 4.49Å; M411-I415 HydrophobicContact CE-CD1 4.32Å; M411-I415 HydrophobicContact CG-CD1 4.14Å; M411-I415 WeakPolarHBondContact O-CG1 3.49Å; M411-I415 PolarHBondContact O-N 3.13Å; L412-I415 PolarHBondContact O-N 2.84Å; I415-V417 VanDerWaalsContact C-N 3.34Å; I415-V417 PolarHBondContact O-N 2.94Å; I415-L418 PolarHBondContact O-N 3.2Å; I415-L419 HydrophobicContact CG2-CD1 4.24Å; I415-L419 HydrophobicContact CG2-CD2 4.48Å; I415-L419 WeakPolarHBondContact O-CB 3.36Å; I415-L419 PolarHBondContact O-N 3.27Å
416M85.8Confident77.9Confident2 Ų246.6 Ų46.61%0.0125%0.253CS..Hα-helixtrans-60.5-40.8177.8-176.7-170.1157.700112.3L200 W201 W204 L412 L413 V414 R420L200-M416 HydrophobicContact CB-CE 3.6Å; W201-M416 HydrophobicContact CB-CE 4.24Å; W201-M416 HydrophobicContact CD2-CG 4.49Å; W201-M416 HydrophobicContact CE3-CE 4.31Å; W201-M416 HydrophobicContact CE3-CG 3.49Å; W201-M416 VanDerWaalsContact CE3-CG 3.49Å; W201-M416 HydrophobicContact CE3-SD 4.46Å; W201-M416 HydrophobicContact CZ3-CG 3.81Å; W204-M416 HydrophobicContact CE3-CE 3.78Å; W204-M416 HydrophobicContact CH2-CE 3.79Å; W204-M416 HydrophobicContact CZ3-CE 3.24Å; W204-M416 HydrophobicContact CZ3-CG 3.96Å; W204-M416 HydrophobicContact CZ3-SD 4.4Å; L412-M416 WeakPolarHBondContact O-CB 3.14Å; L412-M416 PolarHBondContact O-N 2.86Å; L413-M416 HydrophobicContact CD1-SD 4.42Å; L413-M416 WeakPolarHBondContact O-CB 3.08Å; L413-M416 PolarHBondContact O-N 3.22Å; V414-M416 PolarHBondContact O-N 3.37Å; M416-R420 PolarHBondContact O-N 2.77Å
417V84.4Confident75.9Confident90 Ų9053 Ų5355%0.54527%0.272SS..Hα-helixtrans-71-44.5177.31730000111.3L413 V414 I415L413-V417 WeakPolarHBondContact O-CG2 3.34Å; L413-V417 PolarHBondContact O-N 2.81Å; V414-V417 PolarHBondContact O-N 3.05Å; V414-V417 VanDerWaalsContact O-N 3.13Å; I415-V417 VanDerWaalsContact C-N 3.34Å; I415-V417 PolarHBondContact O-N 2.94Å
418L79.9Confident73.8Confident36 Ų3655.5 Ų55.519%0.18828%0.282CS..Hα-helixtrans-69.6-36.2-178.9-83.693.4000113H362 F363 V414 I415H362-L418 HydrophobicContact CB-CD2 4.4Å; F363-L418 HydrophobicContact CB-CD2 3.65Å; F363-L418 HydrophobicContact CD2-CD2 4.3Å; F363-L418 HydrophobicContact CG-CD2 4.5Å; V414-L418 HydrophobicContact CB-CD1 4.49Å; V414-L418 HydrophobicContact CG1-CD1 3.27Å; V414-L418 WeakPolarHBondContact O-CD1 3.35Å; V414-L418 PolarHBondContact O-N 2.04Å; I415-L418 PolarHBondContact O-N 3.2Å
419L76.6Confident71.7Confident30 Ų3056.1 Ų56.116%0.15729%0.291CS..THydrogen-bonded Turntrans-98.817.8-177.5-78.873000112.8I215 I219 V272 I415I215-L419 HydrophobicContact CD1-CD2 4.38Å; I219-L419 HydrophobicContact CD1-CB 3.86Å; I219-L419 HydrophobicContact CD1-CD2 3.74Å; I219-L419 HydrophobicContact CD1-CG 4.46Å; V272-L419 HydrophobicContact CG1-CD1 4.42Å; V272-L419 HydrophobicContact CG2-CD2 3.74Å; I415-L419 HydrophobicContact CG2-CD1 4.24Å; I415-L419 HydrophobicContact CG2-CD2 4.48Å; I415-L419 WeakPolarHBondContact O-CB 3.36Å; I415-L419 PolarHBondContact O-N 3.27Å
420R79.6Confident69.2Low115 Ų11562.9 Ų62.943%0.43432%0.322SS..  trans-53.3133177-178.7178.4174.9-169.4-1.9110.2W204 M416 S422W204-R420 HydrophobicContact CD2-CG 3.87Å; W204-R420 HydrophobicContact CE3-CB 4.42Å; W204-R420 HydrophobicContact CE3-CG 3.75Å; W204-R420 HydrophobicContact CG-CG 4.38Å; W204-R420 HydrophobicContact CH2-CG 4.44Å; W204-R420 HydrophobicContact CZ3-CB 4.36Å; W204-R420 HydrophobicContact CZ3-CG 4.01Å; M416-R420 PolarHBondContact O-N 2.77Å; R420-S422 PolarHBondContact O-N 2.84Å
421P66.9Low66.8Low5 Ų563.9 Ų63.93%0.03233%0.331CS..  trans-56.3127.2173.1-16.325.8000110W204 Y208 L212W204-P421 HydrophobicContact CB-CG 4.33Å; Y208-P421 HydrophobicContact CD2-CB 3.79Å; Y208-P421 WeakPolarHBondContact CE2-O 3.38Å; Y208-P421 HydrophobicContact CG-CB 4.03Å; L212-P421 HydrophobicContact CD1-CG 4.16Å
422S64.5Low64.4Low60 Ų6067.7 Ų67.742%0.4236%0.358SS..  trans-132.9142.7176.867.40000110.2R420 N424 S425R420-S422 PolarHBondContact O-N 2.84Å; S422-N424 PolarHBondContact O-N 2.88Å; S422-S425 WeakPolarHBondContact O-CB 3.23Å; S422-S425 PolarHBondContact O-N 2.53Å; S422-S425 PolarHBondContact O-OG 2.9Å
423V51.3Low62.4Low103 Ų10371.7 Ų71.762%0.62438%0.38SS*.THydrogen-bonded Turntrans-54.5-28.1-175.3-177.70000112.6Y208Y208-V423 HydrophobicContact CD1-CG2 4.08Å; Y208-V423 HydrophobicContact CE1-CG2 3.39Å
424N49.8Very low60Low84 Ų8476 Ų7645%0.44940%0.401SS..THydrogen-bonded Turntrans-88.5-5-177.6-139.319.5000113.7S422 Q426 F428S422-N424 PolarHBondContact O-N 2.88Å; N424-Q426 PolarHBondContact O-N 2.89Å; N424-F428 HydrophobicContact CB-CE2 4.2Å; N424-F428 VanDerWaalsContact ND2-CE2 3.28Å; N424-F428 WeakPolarHBondContact ND2-CE2 2.8Å; N424-F428 WeakPolarHBondContact O-CD2 3.48Å
425S54.4Low57.5Low38 Ų3881.4 Ų81.427%0.26643%0.429SS..THydrogen-bonded Turntrans-70.2-27.7-171.861.70000114.2S422S422-S425 WeakPolarHBondContact O-CB 3.23Å; S422-S425 PolarHBondContact O-N 2.53Å; S422-S425 PolarHBondContact O-OG 2.9Å
426Q48.2Very low55.5Low58 Ų5887.4 Ų87.427%0.27146%0.456SS..THydrogen-bonded Turntrans-87.8-27.7177.5-68.9-147.92.100114.4D211 N424 F428 S429 H430D211-Q426 HydrophobicContact CB-CG 4.35Å; D211-Q426 PolarHBondContact O-NE2 2.87Å; N424-Q426 PolarHBondContact O-N 2.89Å; Q426-F428 PolarHBondContact O-N 3.06Å; Q426-F428 VanDerWaalsContact O-N 3.11Å; Q426-S429 PolarHBondContact O-N 2.86Å; Q426-S429 PolarHBondContact O-OG 2.87Å; Q426-H430 PolarHBondContact O-N 3.26Å
427R49.3Very low53.2Low208 Ų20893.5 Ų93.579%0.78549%0.489SS*.THydrogen-bonded Turntrans-61.7-20.9174.8-89.5-175.3174.4-163.8-3.1113
428F48.5Very low50.8Low76 Ų7697.1 Ų97.133%0.33351%0.506SS..THydrogen-bonded Turntrans-99.3-1.2174.2-58.4-69.8000115.2K356 N424 Q426K356-F428 VanDerWaalsContact CE-CB 3.4Å; K356-F428 PolarHBondContact NZ-O 2.84Å; N424-F428 HydrophobicContact CB-CE2 4.2Å; N424-F428 VanDerWaalsContact ND2-CE2 3.28Å; N424-F428 WeakPolarHBondContact ND2-CE2 2.8Å; N424-F428 WeakPolarHBondContact O-CD2 3.48Å; Q426-F428 PolarHBondContact O-N 3.06Å; Q426-F428 VanDerWaalsContact O-N 3.11Å
429S44.6Very low48.9Very low51 Ų51104.7 Ų104.736%0.35754%0.54SS..THydrogen-bonded Turntrans-97.9-17.8169.363.50000112.3Q426Q426-S429 PolarHBondContact O-N 2.86Å; Q426-S429 PolarHBondContact O-OG 2.87Å
430H40Very low47Very low147 Ų147111.9 Ų111.968%0.68157%0.573SS**SBendtrans-102.321.3174.3-79.9-95.4000113.5Q426Q426-H430 PolarHBondContact O-N 3.26Å
431S38.9Very low44.7Very low74 Ų74114.3 Ų114.352%0.51759%0.594SS.*SBendtrans-73.6127.2160.5-158.40000105.9L433S431-L433 PolarHBondContact O-N 2.86Å
432P39.7Very low43.3Very low119 Ų119123.9 Ų123.977%0.77364%0.639SS**  trans-65.791.4179.627.7-30.9000107.2I434P432-I434 PolarHBondContact O-N 3.47Å
433L46.3Very low42.1Very low96 Ų96124.9 Ų124.950%0.50365%0.65SS.*  trans-76.7103.3164.6-72.3168.3000103.3S431 D435S431-L433 PolarHBondContact O-N 2.86Å; L433-D435 PolarHBondContact O-N 2.79Å
434I39.6Very low41.1Very low155 Ų155129.6 Ų129.680%0.79566%0.663SS**  trans-34.2125.1172.6-64.7162.2000109.2P432 E436P432-I434 PolarHBondContact O-N 3.47Å; I434-E436 PolarHBondContact O-N 2.79Å; I434-E436 VanDerWaalsContact O-N 3.16Å
435D36.1Very low40.4Very low148 Ų148133.9 Ų133.979%0.79168%0.68SS**  trans-51.8114.8176.1-75.4-47.2000109.8L433L433-D435 PolarHBondContact O-N 2.79Å
436E41.4Very low39.6Very low140 Ų140138.2 Ų138.265%0.65471%0.707SS**  trans-103.759.7157.5-74.8-179.3168.400107I434I434-E436 PolarHBondContact O-N 2.79Å; I434-E436 VanDerWaalsContact O-N 3.16Å
437D37.8Very low38.7Very low131 Ų131142.4 Ų142.470%0.70173%0.729SS**  trans-120.478.5162.5-85.9-21.6000106.8
438D34.1Very low37.8Very low166 Ų166141.3 Ų141.389%0.88873%0.734SS**  trans-147.468.3148.8-90.2-26.4000106.4E440D438-E440 VanDerWaalsContact C-N 3.35Å; D438-E440 PolarHBondContact O-N 3.1Å
439E39.6Very low37Very low194 Ų194144 Ų14491%0.90775%0.753SS**  trans-83.482.2161.4-86.7-173.5176.100108.7
440E37Very low36.8Very low181 Ų181151 Ų15185%0.84678%0.78SS**  trans-148.577.5149.5-115.7-178.6-163.400107.7D438D438-E440 VanDerWaalsContact C-N 3.35Å; D438-E440 PolarHBondContact O-N 3.1Å
441D31.7Very low36.6Very low166 Ų166148.2 Ų148.289%0.88878%0.782SS**  trans173.484.2146.2-88.9-22.2000110.9A443D441-A443 PolarHBondContact O-N 2.83Å
442E37.2Very low36.3Very low206 Ų206154 Ų15496%0.96380%0.798SS**  trans-81.485.7166.3-163.8179.8-146.800109.3
443A38.6Very low36.1Very low81 Ų81158 Ų15867%0.66981%0.806SS**  trans177.195.5149.500000111.2D441D441-A443 PolarHBondContact O-N 2.83Å
444K30.9Very low35.8Very low203 Ų203156 Ų15688%0.88381%0.809SS**  trans-176.8112.1139.5-96.5147.8-166.6177.50109.2
445E34Very low35.5Very low174 Ų174157.4 Ų157.481%0.81381%0.814SS**  trans-48.3134.6157-60.3179.6155.100108.9M447E445-M447 VanDerWaalsContact C-N 3.25Å; E445-M447 PolarHBondContact O-N 3.06Å
446P37.7Very low35.2Very low128 Ų128159.2 Ų159.283%0.83182%0.815SS**  trans-73.591.1165.528.4-29.1000107.9M448P446-M448 PolarHBondContact O-N 3.1Å
447M29.7Very low35Very low147 Ų147161.4 Ų161.472%0.72483%0.828SS**  trans-51.2120.7155.8-89.3178.240.800108.2E445 N449E445-M447 VanDerWaalsContact C-N 3.25Å; E445-M447 PolarHBondContact O-N 3.06Å; M447-N449 PolarHBondContact O-N 3.21Å
448M31Very low34.7Very low184 Ų184166.4 Ų166.491%0.90684%0.837SS**  trans-61.699.2168.1-67.2-91.5-71.200108.1P446 E450P446-M448 PolarHBondContact O-N 3.1Å; M448-E450 PolarHBondContact O-N 3.13Å
449N31Very low34.4Very low134 Ų134161.7 Ų161.772%0.71783%0.827SS**  trans-73.6121.4173.2-89.4-8.8000110.3M447 A451M447-N449 PolarHBondContact O-N 3.21Å; N449-A451 PolarHBondContact O-N 3.4Å; N449-A451 VanDerWaalsContact O-N 3.11Å
450E39.7Very low33.9Very low198 Ų198159 Ų15993%0.92582%0.824SS**  trans-41.1101.5154.7-62.6171.2136.100111.2M448M448-E450 PolarHBondContact O-N 3.13Å
451A36.6Very low33.5Very low87 Ų87159.8 Ų159.872%0.71983%0.825SS**  trans-16462.3164.700000111.7N449N449-A451 PolarHBondContact O-N 3.4Å; N449-A451 VanDerWaalsContact O-N 3.11Å
452F33Very low33.9Very low197 Ų197156.9 Ų156.986%0.86482%0.815SS**  trans-149.466.1144.8-139.2-91.4000109.6
453E34.9Very low33.5Very low202 Ų202155.4 Ų155.494%0.94481%0.814SS**  trans-74.6113162.8-166.2179.1-162.100107.7
454G40.2Very low33Very low54 Ų54155.6 Ų155.656%0.55782%0.815SS**  trans13468.7164.700000116.9
455M32.7Very low32.8Very low184 Ų184154.1 Ų154.191%0.90682%0.817SS**  trans-14796.4145.2-147.173.8148.300110.3M457M455-M457 PolarHBondContact O-N 3.1Å
456K31.3Very low32.6Very low187 Ų187149.5 Ų149.581%0.81382%0.816SS**  trans-71.2115.5171.8175.2-174.9-177.1179.60109
457M37Very low32.1Very low186 Ų186148.7 Ų148.792%0.91681%0.813SS**  trans-138.1142.7148-83.4-56.2-149.400111.1M455M455-M457 PolarHBondContact O-N 3.1Å
458R30.3Very low32.5Very low236 Ų236151.5 Ų151.589%0.89183%0.825SS**  trans-94.1148.3-155.3-158.3175.1-175.4-178.6-0.5109.1
459G28.1Very low32.8Very low67 Ų67152.1 Ų152.169%0.69182%0.822SS**  trans-75.8-178.7-161.400000116.5
460T29.2Very low33.2Very low138 Ų138151.9 Ų151.985%0.84782%0.82SS**  -169.6122124.4-60.40000111.2
461K28.9Very low33.3Very low197 Ų197148.6 Ų148.686%0.85781%0.809SS**  trans40.3151153.9-89.3-177.7170.1176.90125.1
462P40.3Very low33.6Very low104 Ų104150.5 Ų150.568%0.67581%0.807SS**  trans-97.2159.5-172.239.9-31.7000112.9
463D28.2Very low34.2Very low175 Ų175148.4 Ų148.494%0.93680%0.797SS**  trans-158.3159.5146.9-92.7-36.2000111.9
464A28.1Very low34.9Very low86 Ų86144.7 Ų144.771%0.71178%0.78SS**  trans-89.5164.8-152.500000117.5
465N27.6Very low35.5Very low171 Ų171147.5 Ų147.591%0.91478%0.778SS**  trans55.9117.8151-77.5-10000121
466G28.3Very low36.5Very low77 Ų77143.8 Ų143.879%0.79476%0.763SS**  trans153.2112.2147.400000117
467S28.9Very low37.8Very low111 Ų111141 Ų14178%0.77675%0.752SS**  trans76.276149.2-135.30000120.5K469S467-K469 PolarHBondContact O-N 2.02Å
468Q36.8Very low38.8Very low207 Ų207137.4 Ų137.497%0.96774%0.737SS**THydrogen-bonded Turntrans-82.582.7156.7-77.6-175.2-5300110.7
469K38.6Very low40.2Very low196 Ų196131.5 Ų131.585%0.85272%0.723SS**THydrogen-bonded Turntrans-152.37.6160.9-139.5-179.9179.9-179.30116S467S467-K469 PolarHBondContact O-N 2.02Å
470L39.3Very low41.8Very low129 Ų129135.1 Ų135.168%0.67572%0.719SS**SBendtrans-115.2-11.8-178.3-110.8127.8000115.2
471L40.6Very low43.8Very low130 Ų130136.5 Ų136.568%0.68171%0.709SS**Hα-helixtrans-77.9-21.5-174.8-13990.4000115
472N43.1Very low45.3Very low126 Ų126130.3 Ų130.367%0.67469%0.687SS**Hα-helixtrans-83-15-177-78.83.2000113.8
473K46.9Very low46.4Very low153 Ų153133 Ų13367%0.66569%0.691SS**Hα-helixtrans-88.4-31.5-176.7-156.8179.4178.6-169.90112.3E477K473-E477 PolarHBondContact O-N 3.25Å
474E49Very low48Very low124 Ų124132.7 Ų132.758%0.57968%0.684SS**Hα-helixtrans-74.9-37176.8-67.5-176.3162.400111.7D476 E477 D478E474-D476 VanDerWaalsContact C-N 3.33Å; E474-D476 PolarHBondContact O-N 3.46Å; E474-E477 PolarHBondContact O-N 3Å; E474-D478 PolarHBondContact O-N 2.97Å
475Q53.4Low49.1Very low113 Ų113132.9 Ų132.953%0.52867%0.673SS.*Hα-helixtrans-63-36.4174.9-80.5-176.8-29.300113.2L479Q475-L479 WeakPolarHBondContact O-CB 3.08Å; Q475-L479 WeakPolarHBondContact O-CD1 3.38Å; Q475-L479 WeakPolarHBondContact O-CG 3.45Å; Q475-L479 PolarHBondContact O-N 2.84Å
476D52.7Low50.3Low107 Ų107130 Ų13057%0.57266%0.656SS**Hα-helixtrans-73.8-28178.3-81.2-12.1000112.6E474 K480E474-D476 VanDerWaalsContact C-N 3.33Å; E474-D476 PolarHBondContact O-N 3.46Å; D476-K480 PolarHBondContact O-N 2.81Å
477E57.7Low50.9Low127 Ų127131.1 Ų131.159%0.59365%0.65SS**Hα-helixtrans-78.6-37.6174.6-73.7-169.8-179.600111.9K473 E474 K480 W481K473-E477 PolarHBondContact O-N 3.25Å; E474-E477 PolarHBondContact O-N 3Å; E477-K480 PolarHBondContact O-N 2.91Å; E477-W481 PolarHBondContact O-N 3.11Å
478D58.2Low51.9Low112 Ų112132.2 Ų132.260%0.59965%0.652SS**Hα-helixtrans-64.1-39.8172.7-78.9-13.9000111.7E474 K480 W481 V482E474-D478 PolarHBondContact O-N 2.97Å; D478-K480 VanDerWaalsContact C-N 3.34Å; D478-K480 PolarHBondContact O-N 3.45Å; D478-W481 PolarHBondContact O-N 3.23Å; D478-V482 VanDerWaalsContact O-CG2 3.31Å; D478-V482 WeakPolarHBondContact O-CG2 3.44Å; D478-V482 PolarHBondContact O-N 3.35Å; D478-V482 VanDerWaalsContact O-N 3.16Å
479L60.9Low52.6Low112 Ų112126.8 Ų126.859%0.58664%0.637SS**Hα-helixtrans-64.5-37.6175-74.1167.4000112.2Q475 V482 E483Q475-L479 WeakPolarHBondContact O-CB 3.08Å; Q475-L479 WeakPolarHBondContact O-CD1 3.38Å; Q475-L479 WeakPolarHBondContact O-CG 3.45Å; Q475-L479 PolarHBondContact O-N 2.84Å; L479-V482 PolarHBondContact O-N 3.25Å; L479-E483 PolarHBondContact O-N 3.25Å; L479-E483 VanDerWaalsContact O-N 3.12Å
480K60.8Low52.9Low142 Ų142123 Ų12362%0.61763%0.63SS**Hα-helixtrans-68.3-39.5175.5-92.2-178.1173.2-179.10113.1D476 E477 D478 V482 E483 E484D476-K480 PolarHBondContact O-N 2.81Å; E477-K480 PolarHBondContact O-N 2.91Å; D478-K480 VanDerWaalsContact C-N 3.34Å; D478-K480 PolarHBondContact O-N 3.45Å; K480-V482 VanDerWaalsContact C-N 3.28Å; K480-V482 PolarHBondContact O-N 2.65Å; K480-E483 PolarHBondContact O-N 3.4Å; K480-E484 PolarHBondContact O-N 3.32Å
481W71.9Confident53.2Low168 Ų168120 Ų12064%0.63662%0.624SS**Hα-helixtrans-62.2-39.6176.5-178.587.7000111.5E477 D478 E484 N485E477-W481 PolarHBondContact O-N 3.11Å; D478-W481 PolarHBondContact O-N 3.23Å; W481-E484 PolarHBondContact O-N 3.2Å; W481-N485 HydrophobicContact CZ2-CB 4.43Å; W481-N485 PolarHBondContact NE1-ND2 3.04Å; W481-N485 WeakPolarHBondContact O-CB 3.39Å; W481-N485 PolarHBondContact O-N 3.34Å; W481-N485 VanDerWaalsContact O-N 3.13Å; W481-N485 PolarHBondContact O-ND2 3.3Å
482V59.9Low53.5Low66 Ų66120.5 Ų120.540%0.463%0.627SS.*Hα-helixtrans-65-40.5176172.40000111.5D478 L479 K480 I486D478-V482 VanDerWaalsContact O-CG2 3.31Å; D478-V482 WeakPolarHBondContact O-CG2 3.44Å; D478-V482 PolarHBondContact O-N 3.35Å; D478-V482 VanDerWaalsContact O-N 3.16Å; L479-V482 PolarHBondContact O-N 3.25Å; K480-V482 VanDerWaalsContact C-N 3.28Å; K480-V482 PolarHBondContact O-N 2.65Å; V482-I486 HydrophobicContact CG1-CD1 3.57Å; V482-I486 WeakPolarHBondContact O-CG1 3.45Å; V482-I486 PolarHBondContact O-N 3.23Å
483E62.7Low53.7Low160 Ų160120.4 Ų120.475%0.74863%0.631SS**Hα-helixtrans-68.7-32.6178.6-123172.3-175.800113.1L479 K480L479-E483 PolarHBondContact O-N 3.25Å; L479-E483 VanDerWaalsContact O-N 3.12Å; K480-E483 PolarHBondContact O-N 3.4Å
484E62.5Low53.6Low169 Ų169115.6 Ų115.679%0.7962%0.62SS**Hα-helixtrans-85.4-25.5-179.7-82.6-176.4155.700114.5K480 W481K480-E484 PolarHBondContact O-N 3.32Å; W481-E484 PolarHBondContact O-N 3.2Å
485N52.4Low53.3Low91 Ų91115.2 Ų115.249%0.48762%0.621SS.*Hα-helixtrans-105.3-6.8-172.4-69.3-81.9000114.9W481 P487W481-N485 HydrophobicContact CZ2-CB 4.43Å; W481-N485 PolarHBondContact NE1-ND2 3.04Å; W481-N485 WeakPolarHBondContact O-CB 3.39Å; W481-N485 PolarHBondContact O-N 3.34Å; W481-N485 VanDerWaalsContact O-N 3.13Å; W481-N485 PolarHBondContact O-ND2 3.3Å; N485-P487 VanDerWaalsContact O-CD 3.31Å; N485-P487 WeakPolarHBondContact O-CD 3.44Å
486I50.8Low52.9Low109 Ų109113.3 Ų113.356%0.55962%0.618SS**SBendtrans-92.5110170.4-60.3169000108.7V482 T488V482-I486 HydrophobicContact CG1-CD1 3.57Å; V482-I486 WeakPolarHBondContact O-CG1 3.45Å; V482-I486 PolarHBondContact O-N 3.23Å; I486-T488 PolarHBondContact O-N 2.88Å; I486-T488 VanDerWaalsContact O-N 3.11Å
487P41.3Very low52.9Low102 Ų102112.3 Ų112.366%0.66262%0.616SS**  trans-64.7114.5-179.723.5-31.4000111.5N485 S489N485-P487 VanDerWaalsContact O-CD 3.31Å; N485-P487 WeakPolarHBondContact O-CD 3.44Å; P487-S489 PolarHBondContact O-N 3.42Å
488T51.4Low52.3Low133 Ų133112 Ų11282%0.81662%0.616SS**THydrogen-bonded Turntrans-74.635.3-179.543.20000114.7I486I486-T488 PolarHBondContact O-N 2.88Å; I486-T488 VanDerWaalsContact O-N 3.11Å
489S50.7Low52.1Low94 Ų94111.6 Ų111.666%0.65761%0.613SS**THydrogen-bonded Turntrans-128.913.3-172.568.80000117.9P487P487-S489 PolarHBondContact O-N 3.42Å
490V45.8Very low51.8Low117 Ų117111.6 Ų111.671%0.70961%0.614SS**SBendtrans-143.7-10.7176.2-111.20000116.9
491A45.5Very low51.8Low66 Ų66110.4 Ų110.455%0.54561%0.61SS.*SBendtrans-90-31-18000000114.1V493A491-V493 PolarHBondContact O-N 3.36Å
492D44.9Very low51.4Low140 Ų140108.6 Ų108.675%0.74961%0.609SS**THydrogen-bonded Turntrans-82.7-10.2-173.8-77.8-25.8000114.9
493V48.1Very low51.8Low123 Ų123111.6 Ų111.675%0.74562%0.619SS**THydrogen-bonded Turntrans-100.6-22.1-177.9-178.80000112.7A491A491-V493 PolarHBondContact O-N 3.36Å
494A44.5Very low52Low53 Ų53111 Ų11144%0.43862%0.616SS.*THydrogen-bonded Turntrans-107-21.1-174.300000114.7M498A494-M498 VanDerWaalsContact O-CG 3.25Å; A494-M498 WeakPolarHBondContact O-CG 3.31Å; A494-M498 PolarHBondContact O-N 3.38Å
495L43.1Very low52.4Low115 Ų115107.7 Ų107.760%0.60260%0.603SS**Hα-helixtrans-70.7-37.9-178.4-119.785000115.1V497 L499L495-V497 VanDerWaalsContact C-N 3.34Å; L495-V497 PolarHBondContact O-N 3.49Å; L495-L499 WeakPolarHBondContact O-CG 3.34Å; L495-L499 PolarHBondContact O-N 3.43Å
496P45.8Very low53.1Low73 Ų73108.5 Ų108.547%0.47461%0.606SS.*Hα-helixtrans-67.8-36179.2-18.330.4000112.3D500P496-D500 PolarHBondContact O-N 3.46Å
497V51.3Low54.1Low86 Ų86109.3 Ų109.352%0.52161%0.606SS.*Hα-helixtrans-73.4-37.6-176.3179.20000111.8L495 E501L495-V497 VanDerWaalsContact C-N 3.34Å; L495-V497 PolarHBondContact O-N 3.49Å; V497-E501 PolarHBondContact O-N 2.82Å
498M46.4Very low55.5Low122 Ų122108.5 Ų108.560%0.60160%0.599SS**Hα-helixtrans-74.1-30.2179.7-64.3-82.2-8600112.3A494 E502A494-M498 VanDerWaalsContact O-CG 3.25Å; A494-M498 WeakPolarHBondContact O-CG 3.31Å; A494-M498 PolarHBondContact O-N 3.38Å; M498-E502 PolarHBondContact O-N 3.35Å
499L53.7Low56.4Low103 Ų103109.5 Ų109.554%0.53959%0.592SS.*Hα-helixtrans-76.1-37.5176.1-73.3171.4000112.3L495 E502 E503L495-L499 WeakPolarHBondContact O-CG 3.34Å; L495-L499 PolarHBondContact O-N 3.43Å; L499-E502 PolarHBondContact O-N 2.94Å; L499-E503 WeakPolarHBondContact O-CB 3.34Å; L499-E503 PolarHBondContact O-N 2.84Å
500D54.2Low57.1Low111 Ų111110.1 Ų110.159%0.59459%0.586SS**Hα-helixtrans-63.7-39.8173.9-84.6-16000111.6P496 E504P496-D500 PolarHBondContact O-N 3.46Å; D500-E504 PolarHBondContact O-N 2.83Å; D500-E504 VanDerWaalsContact O-N 3.11Å
501E61.5Low58.5Low117 Ų117110.2 Ų110.255%0.54758%0.579SS.*Hα-helixtrans-67.7-41.4176.7-82.8-172.2154.900112.8V497 I505V497-E501 PolarHBondContact O-N 2.82Å; E501-I505 VanDerWaalsContact O-CD1 3.31Å; E501-I505 WeakPolarHBondContact O-CD1 3.28Å; E501-I505 WeakPolarHBondContact O-CG1 3.06Å; E501-I505 PolarHBondContact O-N 2.86Å; E501-I505 VanDerWaalsContact O-N 3.15Å
502E63.6Low59.5Low131 Ų131116.3 Ų116.361%0.61259%0.587SS**Hα-helixtrans-68.8-34.9178.1-74.9-171.2161.900112.6M498 L499 I505 L506M498-E502 PolarHBondContact O-N 3.35Å; L499-E502 PolarHBondContact O-N 2.94Å; E502-I505 PolarHBondContact O-N 2.87Å; E502-L506 WeakPolarHBondContact O-CB 3.25Å; E502-L506 PolarHBondContact O-N 2.91Å
503E67.2Low60.4Low129 Ų129113.2 Ų113.260%0.60358%0.577SS**Hα-helixtrans-70.1-40177-165.7174.1170.300112L499 I505 L506 K507L499-E503 WeakPolarHBondContact O-CB 3.34Å; L499-E503 PolarHBondContact O-N 2.84Å; E503-I505 PolarHBondContact O-N 2.79Å; E503-L506 PolarHBondContact O-N 3.39Å; E503-K507 VanDerWaalsContact O-CB 3.32Å; E503-K507 WeakPolarHBondContact O-CB 3.46Å; E503-K507 PolarHBondContact O-N 2.82Å
504E67.4Low61Low147 Ų147115.6 Ų115.669%0.68758%0.577SS**Hα-helixtrans-64.7-37.4173.9-78.5-153.9153.200112.8D500 K507 T508D500-E504 PolarHBondContact O-N 2.83Å; D500-E504 VanDerWaalsContact O-N 3.11Å; E504-K507 PolarHBondContact O-N 3.36Å; E504-T508 PolarHBondContact O-N 3.41Å; E504-T508 PolarHBondContact O-OG1 2.85Å
505I70.8Confident61.6Low99 Ų99120.8 Ų120.851%0.50859%0.594SS.*Hα-helixtrans-68-38.8176.5-66.1164.2000111.1E501 E502 E503 T508 K509E501-I505 VanDerWaalsContact O-CD1 3.31Å; E501-I505 WeakPolarHBondContact O-CD1 3.28Å; E501-I505 WeakPolarHBondContact O-CG1 3.06Å; E501-I505 PolarHBondContact O-N 2.86Å; E501-I505 VanDerWaalsContact O-N 3.15Å; E502-I505 PolarHBondContact O-N 2.87Å; E503-I505 PolarHBondContact O-N 2.79Å; I505-T508 WeakPolarHBondContact CA-OG1 3.46Å; I505-T508 PolarHBondContact O-OG1 3.22Å; I505-K509 WeakPolarHBondContact O-CB 3.4Å; I505-K509 PolarHBondContact O-N 2.91Å; I505-K509 VanDerWaalsContact O-N 3.08Å
506L67.9Low61.7Low108 Ų108126.2 Ų126.257%0.56562%0.617SS**Hα-helixtrans-66.9-40.7174.9-109.4153.6000111.8E502 E503 K509 M510E502-L506 WeakPolarHBondContact O-CB 3.25Å; E502-L506 PolarHBondContact O-N 2.91Å; E503-L506 PolarHBondContact O-N 3.39Å; L506-K509 PolarHBondContact O-N 3.02Å; L506-M510 HydrophobicContact CD2-CE 4.45Å; L506-M510 WeakPolarHBondContact O-CG 3.48Å; L506-M510 PolarHBondContact O-N 3.01Å
507K70.6Confident62.5Low127 Ų127128.9 Ų128.955%0.55262%0.624SS**Hα-helixtrans-68-42.9179.4-156.8174.5-173176.80112E503 E504 K509 M510 E511E503-K507 VanDerWaalsContact O-CB 3.32Å; E503-K507 WeakPolarHBondContact O-CB 3.46Å; E503-K507 PolarHBondContact O-N 2.82Å; E504-K507 PolarHBondContact O-N 3.36Å; K507-K509 PolarHBondContact O-N 3.29Å; K507-M510 PolarHBondContact O-N 2.71Å; K507-E511 WeakPolarHBondContact O-CG 3.21Å; K507-E511 PolarHBondContact O-N 3.46Å
508T71.1Confident63.1Low84 Ų84131.1 Ų131.152%0.51563%0.629SS.*Hα-helixtrans-66.6-34.7174.639.30000113E504 I505 R512E504-T508 PolarHBondContact O-N 3.41Å; E504-T508 PolarHBondContact O-OG1 2.85Å; I505-T508 WeakPolarHBondContact CA-OG1 3.46Å; I505-T508 PolarHBondContact O-OG1 3.22Å; T508-R512 WeakPolarHBondContact O-CB 3.35Å; T508-R512 PolarHBondContact O-N 3.44Å
509K69.3Low64Low154 Ų154131.6 Ų131.667%0.6763%0.631SS**Hα-helixtrans-65.2-42.9170.5-93.4-177.4175176.40112.5I505 L506 K507 R512 S513I505-K509 WeakPolarHBondContact O-CB 3.4Å; I505-K509 PolarHBondContact O-N 2.91Å; I505-K509 VanDerWaalsContact O-N 3.08Å; L506-K509 PolarHBondContact O-N 3.02Å; K507-K509 PolarHBondContact O-N 3.29Å; K509-R512 PolarHBondContact O-N 2.72Å; K509-S513 PolarHBondContact O-N 3.17Å
510M67.2Low64.6Low107 Ų107133.3 Ų133.353%0.52764%0.636SS.*Hα-helixtrans-67.4-32.8177-78.7-167-80.100113L506 K507 S513 K514L506-M510 HydrophobicContact CD2-CE 4.45Å; L506-M510 WeakPolarHBondContact O-CG 3.48Å; L506-M510 PolarHBondContact O-N 3.01Å; K507-M510 PolarHBondContact O-N 2.71Å; M510-S513 PolarHBondContact O-OG 3.09Å; M510-K514 WeakPolarHBondContact O-CG 3.34Å
511E74.3Confident65.2Low119 Ų119134.7 Ų134.756%0.55664%0.639SS**Hα-helixtrans-74.5-36.1174.2-73.2-163.6165.900112.4K507 K514K507-E511 WeakPolarHBondContact O-CG 3.21Å; K507-E511 PolarHBondContact O-N 3.46Å; E511-K514 PolarHBondContact O-N 3.31Å
512R66.8Low65.5Low194 Ų194135.9 Ų135.973%0.73265%0.645SS**Hα-helixtrans-64.9-39.2172.4-84.3-175.3167.6-168.3-1.9112.6T508 K509 K514 M515T508-R512 WeakPolarHBondContact O-CB 3.35Å; T508-R512 PolarHBondContact O-N 3.44Å; K509-R512 PolarHBondContact O-N 2.72Å; R512-K514 PolarHBondContact O-N 3.13Å; R512-M515 PolarHBondContact O-N 3.29Å; R512-M515 VanDerWaalsContact O-N 3.17Å
513S63.4Low65.6Low75 Ų75136.2 Ų136.252%0.52465%0.647SS.*THydrogen-bonded Turntrans-72.1-6.2177.580.70000114.2K509 M510K509-S513 PolarHBondContact O-N 3.17Å; M510-S513 PolarHBondContact O-OG 3.09Å
514K60.3Low65.5Low173 Ų173136.8 Ų136.875%0.75265%0.651SS**THydrogen-bonded Turntrans-93.5-10.3173.1-76.4177179.8178.30112.9M510 E511 R512M510-K514 WeakPolarHBondContact O-CG 3.34Å; E511-K514 PolarHBondContact O-N 3.31Å; R512-K514 PolarHBondContact O-N 3.13Å
515M57.8Low65.4Low162 Ų162135.9 Ų135.980%0.79865%0.648SS**THydrogen-bonded Turntrans-106.7-9.1179.9-71.2-162.7-71.800113.8R512R512-M515 PolarHBondContact O-N 3.29Å; R512-M515 VanDerWaalsContact O-N 3.17Å
516E44.8Very low64.9Low229 Ų229139.3 Ų139.3100%1.0766%0.66SS**  trans-90.40159-71.6-179158.400109.4

Retrieved 516 of 516 residues in 749.8 ms (Link to these results)

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