A0A3Q0KMM7_SCHMA Loading...

Putative mitochondrial solute carrier

AlphaFold DB , UniProt , Accession A0A3Q0KMM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 663 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
1M26.2Very low58Low233 Ų23399.3 Ų99.3100%1.14856%0.555SS**  0980-71.9166.8169.700106.7V3M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.24Å
2A27Very low60.6Low96 Ų9691.2 Ų91.279%0.79351%0.51SS*.  trans-71.896.3176.600000107.1H4A2-H4 PolarHBondContact O-N 2.77Å; A2-H4 VanDerWaalsContact O-N 3.1Å
3V33.5Very low63Low115 Ų11594.4 Ų94.470%0.69751%0.509SS*.  trans-58.4115.1167.11780000105.2M1M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.24Å
4H45.4Very low65Low35 Ų3593.6 Ų93.616%0.16252%0.515CS..  trans-43144.3177.5-61.4-94.6000110.1A2 K6 C81 Y300A2-H4 PolarHBondContact O-N 2.77Å; A2-H4 VanDerWaalsContact O-N 3.1Å; H4-K6 PolarHBondContact O-N 3.12Å; H4-C81 HydrophobicContact CB-CB 3.82Å; H4-C81 PolarHBondContact CD2-O 3.24Å; H4-C81 PolarHBondContact CE1-O 3.25Å; H4-C81 VanDerWaalsContact CG-O 3.25Å; H4-C81 PolarHBondContact ND1-O 2.91Å; H4-C81 PolarHBondContact NE2-O 3.14Å; H4-Y300 AromaticContact CE1-CD1 3.44Å; H4-Y300 VanDerWaalsContact CE1-CD1 3.44Å; H4-Y300 WeakPolarHBondContact CE1-CD1 3.24Å; H4-Y300 AromaticContact CE1-CE1 3.57Å; H4-Y300 AromaticContact ND1-CD1 3.4Å; H4-Y300 WeakPolarHBondContact ND1-CD1 3.49Å; H4-Y300 AromaticContact ND1-CD2 3.99Å; H4-Y300 AromaticContact ND1-CE1 3.24Å; H4-Y300 WeakPolarHBondContact ND1-CE1 3.39Å; H4-Y300 AromaticContact ND1-CE2 3.87Å; H4-Y300 AromaticContact ND1-CG 3.77Å; H4-Y300 AromaticContact ND1-CZ 3.49Å
5S50.5Low66.9Low96 Ų9688.2 Ų88.267%0.67149%0.485SS*.  trans-64.783.7-174.460.50000110.4S7S5-S7 PolarHBondContact O-N 2.96Å
6K55.2Low68.6Low123 Ų12382.8 Ų82.854%0.53546%0.455SS..PPolyproline II helixtrans-48.1128.3164.4-72.6-170.4171.3-169.10106.3H4H4-K6 PolarHBondContact O-N 3.12Å
7S62Low70.1Confident20 Ų2082.7 Ų82.714%0.1445%0.454CS..PPolyproline II helixtrans-56.8155.4171.4-10000109.4S5 T9 G637S5-S7 PolarHBondContact O-N 2.96Å; S7-T9 PolarHBondContact O-N 2.79Å; S7-G637 WeakPolarHBondContact OG-CA 3.41Å; S7-G637 PolarHBondContact OG-N 3.25Å; S7-G637 VanDerWaalsContact OG-N 3.11Å
8N77.6Confident71.4Confident82 Ų8285.6 Ų85.644%0.43946%0.461SS..PPolyproline II helixtrans-54.5129172.8-176.43.4000108.8E10 D11 L12N8-E10 PolarHBondContact O-N 3.37Å; N8-E10 VanDerWaalsContact O-N 3.11Å; N8-E10 PolarHBondContact OD1-N 2.73Å; N8-D11 HydrophobicContact CB-CB 4.46Å; N8-D11 PolarHBondContact O-N 3.21Å; N8-L12 PolarHBondContact O-N 3.39Å; N8-L12 VanDerWaalsContact O-N 3.09Å
9T84.8Confident72.6Confident71 Ų7182.7 Ų82.744%0.43644%0.444SS..Hα-helixtrans-54.3-32-179.9-51.90000111.6S7 R13 F70 L74S7-T9 PolarHBondContact O-N 2.79Å; T9-R13 WeakPolarHBondContact O-CB 3.35Å; T9-R13 PolarHBondContact O-N 2.85Å; T9-F70 HydrophobicContact CG2-CE1 3.86Å; T9-F70 HydrophobicContact CG2-CZ 3.83Å; T9-L74 HydrophobicContact CG2-CD1 3.9Å; T9-L74 HydrophobicContact CG2-CD2 4.32Å
10E86.8Confident73.7Confident145 Ų14579.2 Ų79.268%0.67843%0.426SS*.Hα-helixtrans-66.5-42.4176-65.9-178.1156.500112.7N8 R13 S14N8-E10 PolarHBondContact O-N 3.37Å; N8-E10 VanDerWaalsContact O-N 3.11Å; N8-E10 PolarHBondContact OD1-N 2.73Å; E10-R13 WeakPolarHBondContact O-CB 3.4Å; E10-R13 PolarHBondContact O-N 2.93Å; E10-S14 PolarHBondContact O-N 3.42Å
11D88.4Confident74.6Confident76 Ų7678.7 Ų78.741%0.40643%0.429SS..Hα-helixtrans-65.5-44.1177-64-29.6000110.2N8 R13 S14 V15 I636N8-D11 HydrophobicContact CB-CB 4.46Å; N8-D11 PolarHBondContact O-N 3.21Å; D11-R13 VanDerWaalsContact C-N 3.27Å; D11-R13 PolarHBondContact O-N 3.47Å; D11-S14 WeakPolarHBondContact O-CB 3.42Å; D11-S14 PolarHBondContact O-N 2.94Å; D11-V15 WeakPolarHBondContact O-CG2 3.43Å; D11-V15 PolarHBondContact O-N 3.36Å; D11-I636 HydrophobicContact CB-CD1 3.6Å
12L89.5Confident77.8Confident2 Ų269.4 Ų69.41%0.0139%0.385CS..Hα-helixtrans-62.2-35.3175-76.2167.6000111.7N8 F16 F70 F73 L74 E77 I636 Y639N8-L12 PolarHBondContact O-N 3.39Å; N8-L12 VanDerWaalsContact O-N 3.09Å; L12-F16 VanDerWaalsContact O-CB 3.25Å; L12-F16 WeakPolarHBondContact O-CB 3.08Å; L12-F16 PolarHBondContact O-N 3.5Å; L12-F70 HydrophobicContact CB-CE2 4.33Å; L12-F73 HydrophobicContact CB-CE1 4.41Å; L12-F73 HydrophobicContact CD2-CE1 3.9Å; L12-L74 HydrophobicContact CB-CD2 4.01Å; L12-L74 HydrophobicContact CD1-CD2 3.59Å; L12-L74 HydrophobicContact CG-CD2 4.42Å; L12-E77 HydrophobicContact CD1-CG 4.14Å; L12-E77 HydrophobicContact CD2-CG 4.32Å; L12-I636 HydrophobicContact CD2-CD1 4Å; L12-I636 HydrophobicContact CD2-CG1 3.7Å; L12-I636 HydrophobicContact CG-CD1 4.13Å; L12-I636 HydrophobicContact CG-CG1 4.32Å; L12-Y639 HydrophobicContact CD2-CD2 4.19Å; L12-Y639 HydrophobicContact CD2-CE2 4.45Å
13R92Very high80.8Confident133 Ų13368.6 Ų68.650%0.50237%0.374SS..Hα-helixtrans-68.4-40.8175.6-174.4171-72.4-142.6-1.9112T9 E10 D11 F16 N17 F70T9-R13 WeakPolarHBondContact O-CB 3.35Å; T9-R13 PolarHBondContact O-N 2.85Å; E10-R13 WeakPolarHBondContact O-CB 3.4Å; E10-R13 PolarHBondContact O-N 2.93Å; D11-R13 VanDerWaalsContact C-N 3.27Å; D11-R13 PolarHBondContact O-N 3.47Å; R13-F16 PolarHBondContact O-N 3.41Å; R13-N17 WeakPolarHBondContact O-CB 3.44Å; R13-N17 VanDerWaalsContact O-CG 3.28Å; R13-N17 PolarHBondContact O-N 3.48Å; R13-N17 PolarHBondContact O-ND2 3.3Å; R13-F70 HydrophobicContact CB-CE1 4.27Å; R13-F70 HydrophobicContact CB-CE2 3.75Å; R13-F70 HydrophobicContact CB-CZ 3.58Å; R13-F70 HydrophobicContact CG-CE2 4.32Å; R13-F70 HydrophobicContact CG-CZ 4.25Å
14S91.7Very high83.5Confident84 Ų8468.3 Ų68.359%0.58736%0.363SS*.Hα-helixtrans-59.5-48.2174-1790000111E10 D11 N17 K18E10-S14 PolarHBondContact O-N 3.42Å; D11-S14 WeakPolarHBondContact O-CB 3.42Å; D11-S14 PolarHBondContact O-N 2.94Å; S14-N17 PolarHBondContact O-N 2.93Å; S14-K18 PolarHBondContact O-N 2.91Å; S14-K18 VanDerWaalsContact O-N 3.13Å
15V92.6Very high85.5Confident12 Ų1273.1 Ų73.17%0.07340%0.4CS..Hα-helixtrans-60.8-48174.41710000110.9D11 N17 K18 Y19 Y39 F73 D634 I636D11-V15 WeakPolarHBondContact O-CG2 3.43Å; D11-V15 PolarHBondContact O-N 3.36Å; V15-N17 PolarHBondContact O-N 2.89Å; V15-K18 VanDerWaalsContact O-CB 3.3Å; V15-K18 WeakPolarHBondContact O-CB 3.35Å; V15-K18 PolarHBondContact O-N 2.84Å; V15-K18 VanDerWaalsContact O-N 3.12Å; V15-Y19 HydrophobicContact CG1-CD2 4.38Å; V15-Y19 HydrophobicContact CG1-CE2 4.36Å; V15-Y19 WeakPolarHBondContact O-CD2 3.36Å; V15-Y39 HydrophobicContact CG1-CD2 4.25Å; V15-Y39 HydrophobicContact CG1-CE2 3.49Å; V15-Y39 VanDerWaalsContact CG1-CE2 3.49Å; V15-F73 HydrophobicContact CG1-CZ 4.44Å; V15-D634 HydrophobicContact CG1-CB 4Å; V15-D634 HydrophobicContact CG2-CB 4.23Å; V15-I636 HydrophobicContact CG2-CD1 3.92Å; V15-I636 HydrophobicContact CG2-CG1 4.34Å
16F94.6Very high87.1Confident2 Ų272 Ų721%0.00941%0.405CS..Hα-helixtrans-57.9-49-179.4177.9-89.6000112L12 R13 K18 Y19 A20 M28 M30 I68 F70 F73L12-F16 VanDerWaalsContact O-CB 3.25Å; L12-F16 WeakPolarHBondContact O-CB 3.08Å; L12-F16 PolarHBondContact O-N 3.5Å; R13-F16 PolarHBondContact O-N 3.41Å; F16-K18 PolarHBondContact O-N 3.35Å; F16-Y19 PolarHBondContact O-N 3.48Å; F16-Y19 VanDerWaalsContact O-N 3.17Å; F16-A20 HydrophobicContact CD1-CB 4.22Å; F16-A20 HydrophobicContact CE1-CB 3.91Å; F16-A20 HydrophobicContact CZ-CB 4.33Å; F16-A20 WeakPolarHBondContact O-CB 3.35Å; F16-A20 PolarHBondContact O-N 2.98Å; F16-M28 HydrophobicContact CE1-CB 4.19Å; F16-M28 VanDerWaalsContact CE1-O 3.31Å; F16-M28 WeakPolarHBondContact CE1-O 3.28Å; F16-M30 HydrophobicContact CB-CE 4.2Å; F16-M30 HydrophobicContact CD2-CE 3.54Å; F16-M30 HydrophobicContact CD2-CG 4.18Å; F16-M30 HydrophobicContact CD2-SD 4.19Å; F16-M30 HydrophobicContact CE2-CB 4.5Å; F16-M30 HydrophobicContact CE2-CE 4.11Å; F16-M30 HydrophobicContact CE2-CG 3.78Å; F16-M30 HydrophobicContact CE2-SD 4.23Å; F16-M30 HydrophobicContact CG-CE 3.98Å; F16-M30 HydrophobicContact CZ-CG 4.21Å; F16-M30 VanDerWaalsContact O-CE 3.3Å; F16-M30 WeakPolarHBondContact O-CE 3.39Å; F16-I68 WeakPolarHBondContact CZ-O 3.33Å; F16-F70 HydrophobicContact CB-CD2 3.71Å; F16-F70 HydrophobicContact CB-CE2 4.07Å; F16-F70 HydrophobicContact CD1-CB 4.14Å; F16-F70 AromaticContact CD1-CD2 3.97Å; F16-F70 HydrophobicContact CD1-CD2 3.97Å; F16-F70 HydrophobicContact CD1-CG 4.47Å; F16-F70 HydrophobicContact CD2-CD2 4.06Å; F16-F70 HydrophobicContact CE1-CB 4Å; F16-F70 HydrophobicContact CE2-CB 4.43Å; F16-F70 HydrophobicContact CG-CB 4.42Å; F16-F70 AromaticContact CG-CD2 3.65Å; F16-F70 HydrophobicContact CG-CD2 3.65Å; F16-F70 HydrophobicContact CG-CE2 4.48Å; F16-F70 HydrophobicContact CZ-CB 4.15Å; F16-F73 HydrophobicContact CB-CD1 4.23Å; F16-F73 HydrophobicContact CB-CE1 4.25Å; F16-F73 HydrophobicContact CD2-CB 3.64Å; F16-F73 AromaticContact CD2-CD1 3.95Å; F16-F73 HydrophobicContact CD2-CD1 3.95Å; F16-F73 AromaticContact CD2-CD2 3.85Å; F16-F73 HydrophobicContact CD2-CD2 3.85Å; F16-F73 HydrophobicContact CD2-CE2 4.46Å; F16-F73 AromaticContact CD2-CG 3.56Å; F16-F73 HydrophobicContact CD2-CG 3.56Å; F16-F73 HydrophobicContact CE2-CB 3.85Å; F16-F73 HydrophobicContact CE2-CD2 4.45Å; F16-F73 HydrophobicContact CE2-CG 4.21Å
17N93.3Very high88.7Confident81 Ų8171.6 Ų71.643%0.43341%0.405SS..Hα-helixtrans-64.6-25.4179.7-72.4-20.8000113.2R13 S14 V15 Y19R13-N17 WeakPolarHBondContact O-CB 3.44Å; R13-N17 VanDerWaalsContact O-CG 3.28Å; R13-N17 PolarHBondContact O-N 3.48Å; R13-N17 PolarHBondContact O-ND2 3.3Å; S14-N17 PolarHBondContact O-N 2.93Å; V15-N17 PolarHBondContact O-N 2.89Å; N17-Y19 VanDerWaalsContact C-N 3.32Å
18K93.7Very high90.2Very high134 Ų13473.9 Ų73.958%0.58341%0.414SS*.Hα-helixtrans-67.1-31.6176.3-174.8-176.5179.1-1740112.6S14 V15 F16 D634S14-K18 PolarHBondContact O-N 2.91Å; S14-K18 VanDerWaalsContact O-N 3.13Å; V15-K18 VanDerWaalsContact O-CB 3.3Å; V15-K18 WeakPolarHBondContact O-CB 3.35Å; V15-K18 PolarHBondContact O-N 2.84Å; V15-K18 VanDerWaalsContact O-N 3.12Å; F16-K18 PolarHBondContact O-N 3.35Å; K18-D634 VanDerWaalsContact NZ-CG 3.26Å; K18-D634 IonicContact NZ-OD1 2.66Å; K18-D634 PolarHBondContact NZ-OD1 2.91Å; K18-D634 IonicContact NZ-OD2 3.72Å; K18-D634 PolarHBondContact NZ-OD2 3.45Å
19Y94.6Very high91.1Very high32 Ų3271.8 Ų71.813%0.12540%0.4CS..Hα-helixtrans-107.2-23.7-176.2-68.6-91.6000113.6V15 F16 N17 S21 D34 K38 Y39 N632 D634V15-Y19 HydrophobicContact CG1-CD2 4.38Å; V15-Y19 HydrophobicContact CG1-CE2 4.36Å; V15-Y19 WeakPolarHBondContact O-CD2 3.36Å; F16-Y19 PolarHBondContact O-N 3.48Å; F16-Y19 VanDerWaalsContact O-N 3.17Å; N17-Y19 VanDerWaalsContact C-N 3.32Å; Y19-S21 PolarHBondContact O-N 3.42Å; Y19-D34 WeakPolarHBondContact O-CB 3.4Å; Y19-K38 HydrophobicContact CD1-CB 4.05Å; Y19-K38 HydrophobicContact CE1-CB 4.38Å; Y19-Y39 AromaticContact CD2-CD2 3.78Å; Y19-Y39 HydrophobicContact CD2-CD2 3.78Å; Y19-Y39 HydrophobicContact CD2-CG 4.48Å; Y19-Y39 HydrophobicContact CE1-CD2 4.4Å; Y19-Y39 AromaticContact CE2-CD2 3.67Å; Y19-Y39 HydrophobicContact CE2-CD2 3.67Å; Y19-Y39 HydrophobicContact CE2-CE2 4.32Å; Y19-Y39 HydrophobicContact CG-CD2 4.23Å; Y19-Y39 AromaticContact CZ-CD2 3.99Å; Y19-N632 PolarHBondContact OH-ND2 2.9Å; Y19-D634 HydrophobicContact CE2-CB 3.98Å; Y19-D634 VanDerWaalsContact CE2-OD2 3.23Å; Y19-D634 WeakPolarHBondContact CE2-OD2 3.21Å; Y19-D634 VanDerWaalsContact CZ-OD2 3.26Å; Y19-D634 PolarHBondContact OH-OD2 3.33Å
20A94.3Very high91.7Very high11 Ų1168.4 Ų68.49%0.09138%0.379CS..  trans-62.5126.2177.900000111.9F16 M28 Y29 M30F16-A20 HydrophobicContact CD1-CB 4.22Å; F16-A20 HydrophobicContact CE1-CB 3.91Å; F16-A20 HydrophobicContact CZ-CB 4.33Å; F16-A20 WeakPolarHBondContact O-CB 3.35Å; F16-A20 PolarHBondContact O-N 2.98Å; A20-M28 HydrophobicContact CB-CB 3.98Å; A20-M28 HydrophobicContact CB-CE 4.26Å; A20-M28 WeakPolarHBondContact O-CE 3.31Å; A20-Y29 WeakPolarHBondContact CB-O 3.43Å; A20-M30 HydrophobicContact CB-CG 4.03Å
21S92.7Very high92.1Very high69 Ų6963 Ų6348%0.48336%0.356SS..  trans-110.2-14-176690000114.6Y19 Y29 D34Y19-S21 PolarHBondContact O-N 3.42Å; S21-Y29 PolarHBondContact N-O 3.36Å; S21-D34 WeakPolarHBondContact CB-OD2 3.49Å; S21-D34 PolarHBondContact OG-OD2 2.97Å
22V93.2Very high92.4Very high39 Ų3960.5 Ų60.524%0.23634%0.344CS..EExtended strand (participates in β ladder)trans-110.7131.1-174.5176.10000110K24 M28 Y29 T31 L67V22-K24 HydrophobicContact CG1-CG 4.21Å; V22-M28 CarbonylContact O-C 3.45Å; V22-M28 WeakPolarHBondContact O-CA 3.05Å; V22-Y29 PolarHBondContact N-O 3.04Å; V22-Y29 VanDerWaalsContact N-O 3.16Å; V22-Y29 PolarHBondContact O-N 2.84Å; V22-T31 HydrophobicContact CG2-CG2 3.54Å; V22-L67 HydrophobicContact CG1-CD1 4.2Å; V22-L67 HydrophobicContact CG2-CD2 4.37Å
23S91.4Very high92.7Very high79 Ų7964 Ų6455%0.55236%0.359SS*.EExtended strand (participates in β ladder)trans-112.6123.4171.8-169.30000110.4Q27S23-Q27 CarbonylContact C-O 3.47Å; S23-Q27 WeakPolarHBondContact CA-O 3.31Å
24K89Confident92.8Very high108 Ų10857.7 Ų57.747%0.4734%0.336SS..EExtended strand (participates in β ladder)trans-129.9128.4173.6-73.1-177.9177.4177.10109.1V22 G26 Q27 Y29 L67V22-K24 HydrophobicContact CG1-CG 4.21Å; K24-G26 PolarHBondContact O-N 3.42Å; K24-G26 VanDerWaalsContact O-N 3.08Å; K24-Q27 PolarHBondContact N-O 3.49Å; K24-Q27 PolarHBondContact O-N 2.94Å; K24-Y29 HydrophobicContact CB-CD2 4.16Å; K24-Y29 HydrophobicContact CB-CE2 3.79Å; K24-L67 HydrophobicContact CD-CD1 3.91Å; K24-L67 VanDerWaalsContact NZ-CD1 3.26Å
25S86.7Confident93Very high136 Ų13653.7 Ų53.795%0.95131%0.308SS*.THydrogen-bonded Turntrans51.833.4177.4-55.40000114.5Q27S25-Q27 VanDerWaalsContact C-N 3.29Å; S25-Q27 PolarHBondContact O-N 3.25Å
26G84.7Confident93Very high74 Ų7453.1 Ų53.176%0.76330%0.304SS*.THydrogen-bonded Turntrans80.7-0.8-178.400000115.3K24K24-G26 PolarHBondContact O-N 3.42Å; K24-G26 VanDerWaalsContact O-N 3.08Å
27Q89.8Confident92.8Very high114 Ų11453 Ų5353%0.53330%0.304SS..EExtended strand (participates in β ladder)trans-102.2144.9173-64.8-174.1-2.900110.8S23 K24 S25 Y29S23-Q27 CarbonylContact C-O 3.47Å; S23-Q27 WeakPolarHBondContact CA-O 3.31Å; K24-Q27 PolarHBondContact N-O 3.49Å; K24-Q27 PolarHBondContact O-N 2.94Å; S25-Q27 VanDerWaalsContact C-N 3.29Å; S25-Q27 PolarHBondContact O-N 3.25Å; Q27-Y29 HydrophobicContact CB-CE2 3.77Å; Q27-Y29 WeakPolarHBondContact O-CD2 3.26Å; Q27-Y29 PolarHBondContact OE1-OH 3.1Å
28M93.7Very high92.6Very high68 Ų6853 Ų5334%0.33530%0.3SS..EExtended strand (participates in β ladder)trans-92.3144.8176.6-65-62.4-7000110.2F16 A20 V22F16-M28 HydrophobicContact CE1-CB 4.19Å; F16-M28 VanDerWaalsContact CE1-O 3.31Å; F16-M28 WeakPolarHBondContact CE1-O 3.28Å; A20-M28 HydrophobicContact CB-CB 3.98Å; A20-M28 HydrophobicContact CB-CE 4.26Å; A20-M28 WeakPolarHBondContact O-CE 3.31Å; V22-M28 CarbonylContact O-C 3.45Å; V22-M28 WeakPolarHBondContact O-CA 3.05Å
29Y96Very high92.6Very high37 Ų3746.6 Ų46.615%0.14527%0.272CS..EExtended strand (participates in β ladder)trans-135.3145.2-179.5-64.5-96000110.3A20 S21 V22 K24 Q27 L67 I68A20-Y29 WeakPolarHBondContact CB-O 3.43Å; S21-Y29 PolarHBondContact N-O 3.36Å; V22-Y29 PolarHBondContact N-O 3.04Å; V22-Y29 VanDerWaalsContact N-O 3.16Å; V22-Y29 PolarHBondContact O-N 2.84Å; K24-Y29 HydrophobicContact CB-CD2 4.16Å; K24-Y29 HydrophobicContact CB-CE2 3.79Å; Q27-Y29 HydrophobicContact CB-CE2 3.77Å; Q27-Y29 WeakPolarHBondContact O-CD2 3.26Å; Q27-Y29 PolarHBondContact OE1-OH 3.1Å; Y29-L67 HydrophobicContact CD1-CB 4.01Å; Y29-L67 HydrophobicContact CD1-CD1 4.47Å; Y29-L67 HydrophobicContact CG-CB 4.33Å; Y29-L67 HydrophobicContact CG-CD1 4.24Å; Y29-I68 WeakPolarHBondContact CA-O 3.39Å
30M96.6Very high92.4Very high0 Ų045.1 Ų45.10%027%0.266CS..BIsolated β-bridgetrans-88.9138.7168.2-69.3-170.4-177.400110.6F16 A20 D34 F35 I68 F73F16-M30 HydrophobicContact CB-CE 4.2Å; F16-M30 HydrophobicContact CD2-CE 3.54Å; F16-M30 HydrophobicContact CD2-CG 4.18Å; F16-M30 HydrophobicContact CD2-SD 4.19Å; F16-M30 HydrophobicContact CE2-CB 4.5Å; F16-M30 HydrophobicContact CE2-CE 4.11Å; F16-M30 HydrophobicContact CE2-CG 3.78Å; F16-M30 HydrophobicContact CE2-SD 4.23Å; F16-M30 HydrophobicContact CG-CE 3.98Å; F16-M30 HydrophobicContact CZ-CG 4.21Å; F16-M30 VanDerWaalsContact O-CE 3.3Å; F16-M30 WeakPolarHBondContact O-CE 3.39Å; A20-M30 HydrophobicContact CB-CG 4.03Å; M30-D34 HydrophobicContact CB-CB 4.12Å; M30-D34 HydrophobicContact CG-CB 4.35Å; M30-F35 HydrophobicContact SD-CB 4.31Å; M30-F35 HydrophobicContact SD-CD2 4.05Å; M30-I68 HydrophobicContact CB-CB 4.22Å; M30-I68 PolarHBondContact N-O 3.31Å; M30-I68 PolarHBondContact O-N 3.42Å; M30-F73 HydrophobicContact CE-CD2 4.29Å; M30-F73 HydrophobicContact CE-CE2 4.02Å; M30-F73 HydrophobicContact SD-CD2 4.3Å; M30-F73 HydrophobicContact SD-CE2 4.35Å
31T96.2Very high92.1Very high31 Ų3151.2 Ų51.219%0.1929%0.287CS..  trans-78.4163.2164.765.10000110.5V22 K33 D34 F35 L67V22-T31 HydrophobicContact CG2-CG2 3.54Å; T31-K33 PolarHBondContact O-N 2.97Å; T31-K33 VanDerWaalsContact O-N 3.15Å; T31-D34 WeakPolarHBondContact CB-OD2 3.39Å; T31-D34 PolarHBondContact N-OD2 3.34Å; T31-D34 PolarHBondContact O-N 3.49Å; T31-D34 PolarHBondContact OG1-N 3.22Å; T31-D34 VanDerWaalsContact OG1-N 3.16Å; T31-D34 PolarHBondContact OG1-OD2 3.1Å; T31-F35 PolarHBondContact O-N 3.45Å; T31-L67 HydrophobicContact CG2-CD2 4.22Å
32P95.1Very high91.7Very high24 Ų2448.9 Ų48.916%0.15627%0.269CS..Hα-helixtrans-51.8-36.5171.2-32.138.4000113.6A36 V53 N54 A57 G66P32-A36 WeakPolarHBondContact O-CB 3.3Å; P32-A36 PolarHBondContact O-N 3.15Å; P32-V53 HydrophobicContact CB-CG1 4.02Å; P32-N54 VanDerWaalsContact CB-OD1 3.3Å; P32-N54 WeakPolarHBondContact CB-OD1 3.47Å; P32-A57 HydrophobicContact CB-CB 3.57Å; P32-A57 HydrophobicContact CG-CB 4.15Å; P32-G66 WeakPolarHBondContact CD-O 3.41Å
33K94.2Very high91.1Very high75 Ų7547.8 Ų47.833%0.32626%0.261SS..Iπ-helixtrans-65.6-47.4175-173.8-176.3-173.6152.20111.7T31 F35 V37 K38 Y48T31-K33 PolarHBondContact O-N 2.97Å; T31-K33 VanDerWaalsContact O-N 3.15Å; K33-F35 PolarHBondContact O-N 3.37Å; K33-V37 HydrophobicContact CG-CB 4.21Å; K33-V37 HydrophobicContact CG-CG2 4.13Å; K33-V37 WeakPolarHBondContact O-CA 3.28Å; K33-V37 VanDerWaalsContact O-CB 3.26Å; K33-V37 WeakPolarHBondContact O-CB 3.41Å; K33-V37 PolarHBondContact O-N 3.49Å; K33-V37 VanDerWaalsContact O-N 3.11Å; K33-K38 PolarHBondContact O-N 2.99Å; K33-K38 VanDerWaalsContact O-N 3.14Å; K33-Y48 HydrophobicContact CD-CE1 4.46Å; K33-Y48 WeakPolarHBondContact CD-OH 3.24Å; K33-Y48 VanDerWaalsContact CE-OH 3.24Å; K33-Y48 WeakPolarHBondContact CE-OH 3.38Å; K33-Y48 PolarHBondContact NZ-OH 2.87Å; K33-Y48 VanDerWaalsContact NZ-OH 3.12Å
34D95.2Very high90.5Very high1 Ų148.6 Ų48.61%0.00526%0.259CS..Iπ-helixtrans-60.7-38.9-179.5-60.3-38.3000111.2Y19 S21 M30 T31 K38 Y39Y19-D34 WeakPolarHBondContact O-CB 3.4Å; S21-D34 WeakPolarHBondContact CB-OD2 3.49Å; S21-D34 PolarHBondContact OG-OD2 2.97Å; M30-D34 HydrophobicContact CB-CB 4.12Å; M30-D34 HydrophobicContact CG-CB 4.35Å; T31-D34 WeakPolarHBondContact CB-OD2 3.39Å; T31-D34 PolarHBondContact N-OD2 3.34Å; T31-D34 PolarHBondContact O-N 3.49Å; T31-D34 PolarHBondContact OG1-N 3.22Å; T31-D34 VanDerWaalsContact OG1-N 3.16Å; T31-D34 PolarHBondContact OG1-OD2 3.1Å; D34-K38 IonicContact OD1-NZ 2.65Å; D34-K38 PolarHBondContact OD1-NZ 3.05Å; D34-Y39 VanDerWaalsContact O-CB 3.28Å; D34-Y39 WeakPolarHBondContact O-CB 3.41Å; D34-Y39 PolarHBondContact O-N 2.95Å
35F95.3Very high90Very high0 Ų048.2 Ų48.20%026%0.262CS..Iπ-helixtrans-76.5-62.1-179.2-174.2-109000113.3M30 T31 K33 Y39 L40 A57 A60 I68 F73 F76 Y639M30-F35 HydrophobicContact SD-CB 4.31Å; M30-F35 HydrophobicContact SD-CD2 4.05Å; T31-F35 PolarHBondContact O-N 3.45Å; K33-F35 PolarHBondContact O-N 3.37Å; F35-Y39 HydrophobicContact CD2-CD1 4.07Å; F35-Y39 HydrophobicContact CE2-CD1 4.16Å; F35-Y39 HydrophobicContact CE2-CE1 4.43Å; F35-Y39 WeakPolarHBondContact O-CB 3.39Å; F35-L40 HydrophobicContact CD1-CD1 3.99Å; F35-L40 HydrophobicContact CE1-CD1 3.51Å; F35-L40 HydrophobicContact CE1-CG 4.31Å; F35-L40 HydrophobicContact CE2-CD1 4.36Å; F35-L40 HydrophobicContact CE2-CG 4.38Å; F35-L40 HydrophobicContact CZ-CD1 3.73Å; F35-L40 HydrophobicContact CZ-CG 4.23Å; F35-L40 WeakPolarHBondContact O-CB 3.23Å; F35-L40 WeakPolarHBondContact O-CG 3.32Å; F35-L40 PolarHBondContact O-N 3.2Å; F35-A57 HydrophobicContact CD1-CB 4.27Å; F35-A60 HydrophobicContact CD1-CB 4.37Å; F35-A60 HydrophobicContact CE1-CB 3.68Å; F35-A60 HydrophobicContact CE2-CB 4.34Å; F35-A60 HydrophobicContact CZ-CB 3.66Å; F35-I68 HydrophobicContact CB-CD1 3.51Å; F35-I68 HydrophobicContact CD1-CD1 3.66Å; F35-I68 HydrophobicContact CD2-CD1 4.04Å; F35-I68 HydrophobicContact CE1-CD1 4.34Å; F35-I68 HydrophobicContact CG-CD1 3.47Å; F35-I68 VanDerWaalsContact CG-CD1 3.47Å; F35-F73 HydrophobicContact CD2-CD2 4.31Å; F35-F73 HydrophobicContact CD2-CE2 4.4Å; F35-F73 HydrophobicContact CE2-CD2 4Å; F35-F73 HydrophobicContact CE2-CE2 4.12Å; F35-F76 HydrophobicContact CE1-CE1 4.38Å; F35-F76 AromaticContact CZ-CD1 3.74Å; F35-F76 HydrophobicContact CZ-CD1 3.74Å; F35-F76 AromaticContact CZ-CE1 3.77Å; F35-F76 HydrophobicContact CZ-CE1 3.77Å; F35-F76 HydrophobicContact CZ-CG 4.43Å; F35-Y639 AromaticContact CE2-CE1 3.81Å; F35-Y639 HydrophobicContact CE2-CE1 3.81Å; F35-Y639 HydrophobicContact CZ-CE1 4.02Å
36A92.7Very high89.6Confident0 Ų050.6 Ų50.60%026%0.258CS..Iπ-helixtrans-78.4-33.1-170.300000113.6P32 R41 L42 F43 V53 I56P32-A36 WeakPolarHBondContact O-CB 3.3Å; P32-A36 PolarHBondContact O-N 3.15Å; A36-R41 PolarHBondContact O-N 3.44Å; A36-L42 PolarHBondContact O-N 3.36Å; A36-L42 VanDerWaalsContact O-N 3.09Å; A36-F43 HydrophobicContact CB-CD2 4.28Å; A36-F43 HydrophobicContact CB-CE2 4.38Å; A36-V53 HydrophobicContact CB-CG1 4.21Å; A36-I56 HydrophobicContact CB-CG2 4.34Å
37V90Very high89.3Confident0 Ų050.4 Ų50.40%024%0.24CC..Iπ-helixtrans-91.8-61.3-176.6-169.50000110.2K33 R41 F43 D44 D45 Y48 V53K33-V37 HydrophobicContact CG-CB 4.21Å; K33-V37 HydrophobicContact CG-CG2 4.13Å; K33-V37 WeakPolarHBondContact O-CA 3.28Å; K33-V37 VanDerWaalsContact O-CB 3.26Å; K33-V37 WeakPolarHBondContact O-CB 3.41Å; K33-V37 PolarHBondContact O-N 3.49Å; K33-V37 VanDerWaalsContact O-N 3.11Å; V37-R41 WeakPolarHBondContact O-CA 3.16Å; V37-R41 PolarHBondContact O-N 3.13Å; V37-F43 HydrophobicContact CG1-CB 4.34Å; V37-F43 HydrophobicContact CG2-CB 4.11Å; V37-D44 VanDerWaalsContact CG1-O 3.28Å; V37-D44 WeakPolarHBondContact CG1-O 3.43Å; V37-D45 WeakPolarHBondContact CG1-OD1 3.34Å; V37-Y48 HydrophobicContact CG1-CD1 4.2Å; V37-Y48 HydrophobicContact CG1-CE1 4.44Å; V37-Y48 HydrophobicContact CG2-CD1 4.18Å; V37-Y48 HydrophobicContact CG2-CD2 4.25Å; V37-Y48 HydrophobicContact CG2-CE1 4.34Å; V37-Y48 HydrophobicContact CG2-CE2 4.41Å; V37-Y48 HydrophobicContact CG2-CG 4.13Å; V37-V53 HydrophobicContact CG2-CG1 4.14Å; V37-V53 HydrophobicContact CG2-CG2 3.74Å
38K90.6Very high89.1Confident81 Ų8147 Ų4735%0.35222%0.223SC..Iπ-helixtrans-75.9-48.7-172.6-58.9-179.7-173159.60113.4Y19 K33 D34 R41Y19-K38 HydrophobicContact CD1-CB 4.05Å; Y19-K38 HydrophobicContact CE1-CB 4.38Å; K33-K38 PolarHBondContact O-N 2.99Å; K33-K38 VanDerWaalsContact O-N 3.14Å; D34-K38 IonicContact OD1-NZ 2.65Å; D34-K38 PolarHBondContact OD1-NZ 3.05Å; K38-R41 WeakPolarHBondContact O-CG 3.12Å
39Y92.6Very high88.6Confident0 Ų045 Ų450%021%0.213CC..Iπ-helixtrans-78.7-62.5-175.3175.7-117.4000111.2V15 Y19 D34 F35 R41 F73 N632 D634 H635 Y639V15-Y39 HydrophobicContact CG1-CD2 4.25Å; V15-Y39 HydrophobicContact CG1-CE2 3.49Å; V15-Y39 VanDerWaalsContact CG1-CE2 3.49Å; Y19-Y39 AromaticContact CD2-CD2 3.78Å; Y19-Y39 HydrophobicContact CD2-CD2 3.78Å; Y19-Y39 HydrophobicContact CD2-CG 4.48Å; Y19-Y39 HydrophobicContact CE1-CD2 4.4Å; Y19-Y39 AromaticContact CE2-CD2 3.67Å; Y19-Y39 HydrophobicContact CE2-CD2 3.67Å; Y19-Y39 HydrophobicContact CE2-CE2 4.32Å; Y19-Y39 HydrophobicContact CG-CD2 4.23Å; Y19-Y39 AromaticContact CZ-CD2 3.99Å; D34-Y39 VanDerWaalsContact O-CB 3.28Å; D34-Y39 WeakPolarHBondContact O-CB 3.41Å; D34-Y39 PolarHBondContact O-N 2.95Å; F35-Y39 HydrophobicContact CD2-CD1 4.07Å; F35-Y39 HydrophobicContact CE2-CD1 4.16Å; F35-Y39 HydrophobicContact CE2-CE1 4.43Å; F35-Y39 WeakPolarHBondContact O-CB 3.39Å; Y39-R41 VanDerWaalsContact C-N 3.3Å; Y39-R41 PolarHBondContact O-N 3.18Å; Y39-F73 AromaticContact CD1-CE2 3.94Å; Y39-F73 HydrophobicContact CD1-CE2 3.94Å; Y39-F73 AromaticContact CE1-CE2 3.46Å; Y39-F73 HydrophobicContact CE1-CE2 3.46Å; Y39-F73 VanDerWaalsContact CE1-CE2 3.46Å; Y39-F73 AromaticContact CE1-CZ 3.72Å; Y39-F73 HydrophobicContact CE1-CZ 3.72Å; Y39-F73 AromaticContact CZ-CE2 3.96Å; Y39-F73 AromaticContact CZ-CZ 3.71Å; Y39-N632 PolarHBondContact O-ND2 3.34Å; Y39-D634 HydrophobicContact CE2-CB 4.26Å; Y39-H635 AromaticContact CE2-CD2 3.59Å; Y39-H635 AromaticContact CZ-CD2 3.72Å; Y39-H635 PolarHBondContact O-NE2 3.36Å; Y39-Y639 AromaticContact CE1-CD1 3.53Å; Y39-Y639 HydrophobicContact CE1-CD1 3.53Å; Y39-Y639 HydrophobicContact CE1-CD2 4.23Å; Y39-Y639 AromaticContact CE1-CE1 3.68Å; Y39-Y639 HydrophobicContact CE1-CE1 3.68Å; Y39-Y639 HydrophobicContact CE1-CE2 4.36Å; Y39-Y639 AromaticContact CE1-CG 3.83Å; Y39-Y639 HydrophobicContact CE1-CG 3.83Å; Y39-Y639 AromaticContact CZ-CG 3.88Å; Y39-Y639 VanDerWaalsContact OH-CB 3.24Å; Y39-Y639 WeakPolarHBondContact OH-CB 3.46Å; Y39-Y639 WeakPolarHBondContact OH-CD2 3.36Å
40L90.3Very high88.4Confident0 Ų047 Ų470%023%0.229CC..THydrogen-bonded Turntrans-71.8-21.7-177.9-64.9-174.7000113.7F35 L42 W89 Y639 A642F35-L40 HydrophobicContact CD1-CD1 3.99Å; F35-L40 HydrophobicContact CE1-CD1 3.51Å; F35-L40 HydrophobicContact CE1-CG 4.31Å; F35-L40 HydrophobicContact CE2-CD1 4.36Å; F35-L40 HydrophobicContact CE2-CG 4.38Å; F35-L40 HydrophobicContact CZ-CD1 3.73Å; F35-L40 HydrophobicContact CZ-CG 4.23Å; F35-L40 WeakPolarHBondContact O-CB 3.23Å; F35-L40 WeakPolarHBondContact O-CG 3.32Å; F35-L40 PolarHBondContact O-N 3.2Å; L40-L42 HydrophobicContact CB-CD1 4.09Å; L40-L42 HydrophobicContact CB-CD2 4.47Å; L40-L42 HydrophobicContact CB-CG 3.77Å; L40-L42 HydrophobicContact CD1-CD1 3.91Å; L40-L42 PolarHBondContact O-N 3.32Å; L40-W89 HydrophobicContact CD1-CH2 4.23Å; L40-W89 HydrophobicContact CD1-CZ2 4.39Å; L40-Y639 HydrophobicContact CD2-CD1 3.81Å; L40-Y639 HydrophobicContact CD2-CE1 4.13Å; L40-A642 HydrophobicContact CD2-CB 3.63Å
41R88.3Confident88.1Confident140 Ų14050 Ų5053%0.52825%0.25SC..  trans54.439.3-179.4-58.9-175.4-179.8-176.6-2.1113.3A36 V37 K38 Y39 F43A36-R41 PolarHBondContact O-N 3.44Å; V37-R41 WeakPolarHBondContact O-CA 3.16Å; V37-R41 PolarHBondContact O-N 3.13Å; K38-R41 WeakPolarHBondContact O-CG 3.12Å; Y39-R41 VanDerWaalsContact C-N 3.3Å; Y39-R41 PolarHBondContact O-N 3.18Å; R41-F43 VanDerWaalsContact C-N 3.32Å
42L84.2Confident87.7Confident19 Ų1948.6 Ų48.610%0.09924%0.241CC..  trans-82-17.2177-58.4178.6000112.4A36 L40 I56 W89 T643 F646A36-L42 PolarHBondContact O-N 3.36Å; A36-L42 VanDerWaalsContact O-N 3.09Å; L40-L42 HydrophobicContact CB-CD1 4.09Å; L40-L42 HydrophobicContact CB-CD2 4.47Å; L40-L42 HydrophobicContact CB-CG 3.77Å; L40-L42 HydrophobicContact CD1-CD1 3.91Å; L40-L42 PolarHBondContact O-N 3.32Å; L42-I56 HydrophobicContact CD1-CG2 3.94Å; L42-W89 HydrophobicContact CD1-CH2 4.35Å; L42-W89 HydrophobicContact CD1-CZ2 4.37Å; L42-T643 HydrophobicContact CD2-CG2 4.5Å; L42-F646 HydrophobicContact CD1-CB 4.26Å; L42-F646 HydrophobicContact CD1-CD1 4.01Å; L42-F646 HydrophobicContact CD1-CD2 3.99Å; L42-F646 HydrophobicContact CD1-CE1 4.4Å; L42-F646 HydrophobicContact CD1-CE2 4.4Å; L42-F646 HydrophobicContact CD1-CG 3.79Å; L42-F646 HydrophobicContact CD2-CB 4.1Å; L42-F646 HydrophobicContact CD2-CD1 3.83Å; L42-F646 HydrophobicContact CD2-CG 4.07Å; L42-F646 HydrophobicContact CG-CD1 4.33Å
43F81.8Confident87.6Confident16 Ų1647.6 Ų47.67%0.0724%0.235CC..SBendtrans-131.5159-175.9-63.7-86.9000110.3A36 V37 R41 V53 I56 K659A36-F43 HydrophobicContact CB-CD2 4.28Å; A36-F43 HydrophobicContact CB-CE2 4.38Å; V37-F43 HydrophobicContact CG1-CB 4.34Å; V37-F43 HydrophobicContact CG2-CB 4.11Å; R41-F43 VanDerWaalsContact C-N 3.32Å; F43-V53 HydrophobicContact CB-CG2 4.46Å; F43-V53 HydrophobicContact CD1-CG2 4.19Å; F43-V53 HydrophobicContact CD2-CG2 3.72Å; F43-V53 HydrophobicContact CE1-CG2 4.43Å; F43-V53 HydrophobicContact CE2-CG2 4.02Å; F43-V53 HydrophobicContact CG-CG2 3.85Å; F43-V53 HydrophobicContact CZ-CG2 4.37Å; F43-I56 HydrophobicContact CE2-CD1 3.45Å; F43-I56 VanDerWaalsContact CE2-CD1 3.45Å; F43-I56 HydrophobicContact CZ-CD1 3.27Å; F43-K659 HydrophobicContact CD1-CB 4.45Å; F43-K659 WeakPolarHBondContact CD1-O 3.3Å; F43-K659 HydrophobicContact CE1-CG 4.43Å
44D77.1Confident87.5Confident96 Ų9647.8 Ų47.851%0.51324%0.239SC..  trans-67.8148.3171.4-171-86.4000111V37 E46 N47 Y48V37-D44 VanDerWaalsContact CG1-O 3.28Å; V37-D44 WeakPolarHBondContact CG1-O 3.43Å; D44-E46 PolarHBondContact OD1-N 2.95Å; D44-N47 PolarHBondContact OD1-N 3.39Å; D44-Y48 VanDerWaalsContact O-CD1 3.24Å; D44-Y48 WeakPolarHBondContact O-CD1 3.49Å
45D79.4Confident87.3Confident101 Ų10147.8 Ų47.854%0.5424%0.24SC..SBendtrans-71.9-30.4-176.9-81.7-36.6000113.3V37V37-D45 WeakPolarHBondContact CG1-OD1 3.34Å
46E78.8Confident87.2Confident185 Ų18547.8 Ų47.886%0.86424%0.24SC*.SBendtrans-96.8-46.8-173.3-63.2-171.3173.300112.4D44D44-E46 PolarHBondContact OD1-N 2.95Å
47N78.1Confident87.2Confident71 Ų7147.9 Ų47.938%0.3824%0.24SC..SBendtrans-123.7101.2-178.6-174.95.5000112.3D44 T661D44-N47 PolarHBondContact OD1-N 3.39Å; N47-T661 PolarHBondContact ND2-O 3.46Å; N47-T661 PolarHBondContact OD1-N 3.14Å; N47-T661 VanDerWaalsContact OD1-N 3.1Å; N47-T661 PolarHBondContact OD1-O 3.01Å
48Y84Confident87.3Confident43 Ų4348.8 Ų48.817%0.16925%0.247CC..  trans-132.5155.6175.557.4-92.7000112.3K33 V37 D44 V50 V53 K659 T661K33-Y48 HydrophobicContact CD-CE1 4.46Å; K33-Y48 WeakPolarHBondContact CD-OH 3.24Å; K33-Y48 VanDerWaalsContact CE-OH 3.24Å; K33-Y48 WeakPolarHBondContact CE-OH 3.38Å; K33-Y48 PolarHBondContact NZ-OH 2.87Å; K33-Y48 VanDerWaalsContact NZ-OH 3.12Å; V37-Y48 HydrophobicContact CG1-CD1 4.2Å; V37-Y48 HydrophobicContact CG1-CE1 4.44Å; V37-Y48 HydrophobicContact CG2-CD1 4.18Å; V37-Y48 HydrophobicContact CG2-CD2 4.25Å; V37-Y48 HydrophobicContact CG2-CE1 4.34Å; V37-Y48 HydrophobicContact CG2-CE2 4.41Å; V37-Y48 HydrophobicContact CG2-CG 4.13Å; D44-Y48 VanDerWaalsContact O-CD1 3.24Å; D44-Y48 WeakPolarHBondContact O-CD1 3.49Å; Y48-V50 HydrophobicContact CE2-CG2 4.2Å; Y48-V50 PolarHBondContact O-N 3.25Å; Y48-V53 HydrophobicContact CD2-CB 4.31Å; Y48-V53 HydrophobicContact CD2-CG2 3.59Å; Y48-V53 HydrophobicContact CE2-CG2 4.3Å; Y48-V53 HydrophobicContact CG-CG2 4.18Å; Y48-K659 WeakPolarHBondContact CA-O 3.42Å; Y48-T661 PolarHBondContact O-OG1 3.48Å
49N85.1Confident87.4Confident25 Ų2545 Ų4513%0.13423%0.231CC..  trans-79.6114.2172.4-171.4-83.9000110.8S51 S52 V53 P658 K659N49-S51 VanDerWaalsContact C-N 3.31Å; N49-S51 PolarHBondContact O-N 3.14Å; N49-S51 WeakPolarHBondContact OD1-CB 3.49Å; N49-S51 PolarHBondContact OD1-N 3.48Å; N49-S51 VanDerWaalsContact OD1-N 3.12Å; N49-S52 PolarHBondContact O-N 3.15Å; N49-S52 PolarHBondContact OD1-N 2.66Å; N49-S52 PolarHBondContact OD1-OG 2.75Å; N49-V53 WeakPolarHBondContact O-CG2 3.46Å; N49-V53 PolarHBondContact O-N 3.4Å; N49-P658 HydrophobicContact CB-CB 4.1Å; N49-P658 VanDerWaalsContact CB-O 3.29Å; N49-P658 WeakPolarHBondContact CB-O 3.12Å; N49-K659 PolarHBondContact N-O 3.49Å
50V90.4Very high87.5Confident79 Ų7945.1 Ų45.148%0.47923%0.231SC..Hα-helixtrans-60.2-40.1-176.9-179.50000112Y48 V53 N54Y48-V50 HydrophobicContact CE2-CG2 4.2Å; Y48-V50 PolarHBondContact O-N 3.25Å; V50-V53 PolarHBondContact O-N 2.68Å; V50-N54 WeakPolarHBondContact O-CB 3.33Å; V50-N54 VanDerWaalsContact O-CG 3.24Å; V50-N54 PolarHBondContact O-N 2.92Å; V50-N54 PolarHBondContact O-ND2 2.7Å
51S89.8Confident87.6Confident62 Ų6245.6 Ų45.643%0.43423%0.234SC..Hα-helixtrans-67.2-39.6-178.5-52.10000112.1N49 C55N49-S51 VanDerWaalsContact C-N 3.31Å; N49-S51 PolarHBondContact O-N 3.14Å; N49-S51 WeakPolarHBondContact OD1-CB 3.49Å; N49-S51 PolarHBondContact OD1-N 3.48Å; N49-S51 VanDerWaalsContact OD1-N 3.12Å; S51-C55 WeakPolarHBondContact O-CB 3.42Å; S51-C55 PolarHBondContact O-N 3.48Å
52S89.7Confident87.7Confident2 Ų242 Ų421%0.01423%0.227CC..Hα-helixtrans-66.6-44.2174.6-59.80000112.1N49 N54 C55 I56 P658N49-S52 PolarHBondContact O-N 3.15Å; N49-S52 PolarHBondContact OD1-N 2.66Å; N49-S52 PolarHBondContact OD1-OG 2.75Å; S52-N54 VanDerWaalsContact C-N 3.35Å; S52-N54 PolarHBondContact O-N 3.35Å; S52-C55 WeakPolarHBondContact O-CB 3.34Å; S52-C55 PolarHBondContact O-N 3.17Å; S52-I56 WeakPolarHBondContact O-CG1 3.14Å; S52-I56 PolarHBondContact O-N 3.22Å; S52-P658 WeakPolarHBondContact CB-O 3.25Å; S52-P658 WeakPolarHBondContact OG-CD 3.42Å; S52-P658 PolarHBondContact OG-O 2.53Å; S52-P658 VanDerWaalsContact OG-O 3.13Å
53V91.3Very high87.9Confident3 Ų345.4 Ų45.42%0.01825%0.249CC..Hα-helixtrans-58.1-47.1175.11630000111.2P32 A36 V37 F43 Y48 N49 V50 C55 I56 A57P32-V53 HydrophobicContact CB-CG1 4.02Å; A36-V53 HydrophobicContact CB-CG1 4.21Å; V37-V53 HydrophobicContact CG2-CG1 4.14Å; V37-V53 HydrophobicContact CG2-CG2 3.74Å; F43-V53 HydrophobicContact CB-CG2 4.46Å; F43-V53 HydrophobicContact CD1-CG2 4.19Å; F43-V53 HydrophobicContact CD2-CG2 3.72Å; F43-V53 HydrophobicContact CE1-CG2 4.43Å; F43-V53 HydrophobicContact CE2-CG2 4.02Å; F43-V53 HydrophobicContact CG-CG2 3.85Å; F43-V53 HydrophobicContact CZ-CG2 4.37Å; Y48-V53 HydrophobicContact CD2-CB 4.31Å; Y48-V53 HydrophobicContact CD2-CG2 3.59Å; Y48-V53 HydrophobicContact CE2-CG2 4.3Å; Y48-V53 HydrophobicContact CG-CG2 4.18Å; N49-V53 WeakPolarHBondContact O-CG2 3.46Å; N49-V53 PolarHBondContact O-N 3.4Å; V50-V53 PolarHBondContact O-N 2.68Å; V53-C55 PolarHBondContact O-N 3.25Å; V53-I56 PolarHBondContact O-N 2.95Å; V53-A57 WeakPolarHBondContact O-CB 3.29Å; V53-A57 PolarHBondContact O-N 3.4Å
54N93Very high88.3Confident79 Ų7947 Ų4742%0.42226%0.256SS..Hα-helixtrans-63.3-41.6177.2-70.9-14000111.9P32 V50 S52 I56 S58P32-N54 VanDerWaalsContact CB-OD1 3.3Å; P32-N54 WeakPolarHBondContact CB-OD1 3.47Å; V50-N54 WeakPolarHBondContact O-CB 3.33Å; V50-N54 VanDerWaalsContact O-CG 3.24Å; V50-N54 PolarHBondContact O-N 2.92Å; V50-N54 PolarHBondContact O-ND2 2.7Å; S52-N54 VanDerWaalsContact C-N 3.35Å; S52-N54 PolarHBondContact O-N 3.35Å; N54-I56 PolarHBondContact O-N 3.32Å; N54-S58 WeakPolarHBondContact O-CB 3.44Å; N54-S58 PolarHBondContact O-N 3.06Å
55C91.2Very high88.9Confident2 Ų246.8 Ų46.81%0.01426%0.255CS..Hα-helixtrans-61-45177-1680000111.6S51 S52 V53 S58 L93 M113S51-C55 WeakPolarHBondContact O-CB 3.42Å; S51-C55 PolarHBondContact O-N 3.48Å; S52-C55 WeakPolarHBondContact O-CB 3.34Å; S52-C55 PolarHBondContact O-N 3.17Å; V53-C55 PolarHBondContact O-N 3.25Å; C55-S58 WeakPolarHBondContact O-CB 3.13Å; C55-S58 PolarHBondContact O-N 3.1Å; C55-S58 PolarHBondContact O-OG 3.37Å; C55-L93 WeakPolarHBondContact O-CD2 3.45Å; C55-M113 HydrophobicContact CB-SD 4.1Å
56I92.3Very high89.5Confident0 Ų043.7 Ų43.70%025%0.247CC..Hα-helixtrans-71.6-41.8-177.6-70.7159.8000111.9A36 L42 F43 S52 V53 N54 S58 A59 W89 L93 F646 F657A36-I56 HydrophobicContact CB-CG2 4.34Å; L42-I56 HydrophobicContact CD1-CG2 3.94Å; F43-I56 HydrophobicContact CE2-CD1 3.45Å; F43-I56 VanDerWaalsContact CE2-CD1 3.45Å; F43-I56 HydrophobicContact CZ-CD1 3.27Å; S52-I56 WeakPolarHBondContact O-CG1 3.14Å; S52-I56 PolarHBondContact O-N 3.22Å; V53-I56 PolarHBondContact O-N 2.95Å; N54-I56 PolarHBondContact O-N 3.32Å; I56-S58 PolarHBondContact O-N 3.2Å; I56-A59 WeakPolarHBondContact O-CB 3.33Å; I56-A59 PolarHBondContact O-N 3.17Å; I56-W89 HydrophobicContact CG2-CZ2 4.09Å; I56-L93 HydrophobicContact CG1-CD2 4.23Å; I56-F646 HydrophobicContact CD1-CE2 3.43Å; I56-F646 VanDerWaalsContact CD1-CE2 3.43Å; I56-F646 HydrophobicContact CD1-CZ 3.46Å; I56-F646 VanDerWaalsContact CD1-CZ 3.46Å; I56-F646 HydrophobicContact CG1-CE2 3.75Å; I56-F646 HydrophobicContact CG1-CZ 4.28Å; I56-F646 HydrophobicContact CG2-CE2 4.3Å; I56-F657 HydrophobicContact CD1-CD2 4.39Å
57A93.8Very high90.3Very high2 Ų235.8 Ų35.82%0.01721%0.211CC..Hα-helixtrans-64.1-31.1174.200000112.3P32 F35 V53 A59 A60 D61 I68P32-A57 HydrophobicContact CB-CB 3.57Å; P32-A57 HydrophobicContact CG-CB 4.15Å; F35-A57 HydrophobicContact CD1-CB 4.27Å; V53-A57 WeakPolarHBondContact O-CB 3.29Å; V53-A57 PolarHBondContact O-N 3.4Å; A57-A59 PolarHBondContact O-N 2.9Å; A57-A59 VanDerWaalsContact O-N 3.09Å; A57-A60 PolarHBondContact O-N 3.42Å; A57-D61 PolarHBondContact O-N 3.22Å; A57-D61 VanDerWaalsContact O-N 3.1Å; A57-I68 HydrophobicContact CB-CD1 4.22Å
58S92.3Very high91.2Very high19 Ų1932.4 Ų32.413%0.13319%0.193CC..THydrogen-bonded Turntrans-61-19.6177.181.10000113.2N54 C55 I56 A60 D61 K64N54-S58 WeakPolarHBondContact O-CB 3.44Å; N54-S58 PolarHBondContact O-N 3.06Å; C55-S58 WeakPolarHBondContact O-CB 3.13Å; C55-S58 PolarHBondContact O-N 3.1Å; C55-S58 PolarHBondContact O-OG 3.37Å; I56-S58 PolarHBondContact O-N 3.2Å; S58-A60 VanDerWaalsContact C-N 3.28Å; S58-A60 PolarHBondContact O-N 2.91Å; S58-D61 CarbonylContact O-C 3.35Å; S58-K64 PolarHBondContact O-NZ 3.27Å
59A92.8Very high91.7Very high2 Ų231.3 Ų31.32%0.01719%0.191CC..THydrogen-bonded Turntrans-69.7-26.1174.300000113.3I56 A57 F76 E92 L93I56-A59 WeakPolarHBondContact O-CB 3.33Å; I56-A59 PolarHBondContact O-N 3.17Å; A57-A59 PolarHBondContact O-N 2.9Å; A57-A59 VanDerWaalsContact O-N 3.09Å; A59-F76 HydrophobicContact CB-CE2 4.02Å; A59-E92 HydrophobicContact CB-CB 3.83Å; A59-L93 HydrophobicContact CB-CD2 3.95Å; A59-L93 HydrophobicContact CB-CG 4.43Å
60A93.9Very high92.2Very high1 Ų131.2 Ų31.21%0.00819%0.19CC..THydrogen-bonded Turntrans-91.6-36.117400000111.8F35 A57 S58 T62 I68 E72 F76F35-A60 HydrophobicContact CD1-CB 4.37Å; F35-A60 HydrophobicContact CE1-CB 3.68Å; F35-A60 HydrophobicContact CE2-CB 4.34Å; F35-A60 HydrophobicContact CZ-CB 3.66Å; A57-A60 PolarHBondContact O-N 3.42Å; S58-A60 VanDerWaalsContact C-N 3.28Å; S58-A60 PolarHBondContact O-N 2.91Å; A60-T62 PolarHBondContact O-N 2.69Å; A60-I68 HydrophobicContact CB-CD1 3.95Å; A60-I68 HydrophobicContact CB-CG1 4.25Å; A60-I68 HydrophobicContact CB-CG2 4.32Å; A60-E72 WeakPolarHBondContact O-CB 3.33Å; A60-F76 HydrophobicContact CB-CB 3.99Å; A60-F76 HydrophobicContact CB-CD1 4.38Å; A60-F76 HydrophobicContact CB-CD2 3.87Å; A60-F76 HydrophobicContact CB-CE2 4.47Å; A60-F76 HydrophobicContact CB-CG 3.82Å
61D93.6Very high92.3Very high10 Ų1034.9 Ų34.95%0.05320%0.201CC..  trans-73.188.9172.2172.113.4000109.8A57 S58 T63 K64 D65 G66 L67 I68A57-D61 PolarHBondContact O-N 3.22Å; A57-D61 VanDerWaalsContact O-N 3.1Å; S58-D61 CarbonylContact O-C 3.35Å; D61-T63 PolarHBondContact OD1-N 3.48Å; D61-T63 PolarHBondContact OD1-OG1 2.95Å; D61-K64 WeakPolarHBondContact O-CD 3.36Å; D61-K64 VanDerWaalsContact O-CE 3.23Å; D61-K64 WeakPolarHBondContact O-CE 3.26Å; D61-K64 PolarHBondContact O-NZ 3.2Å; D61-K64 VanDerWaalsContact O-NZ 3.14Å; D61-K64 VanDerWaalsContact OD1-CA 3.28Å; D61-K64 WeakPolarHBondContact OD1-CA 3.4Å; D61-K64 PolarHBondContact OD1-N 3.08Å; D61-K64 WeakPolarHBondContact OD2-CA 3.4Å; D61-D65 PolarHBondContact OD1-N 3.24Å; D61-D65 PolarHBondContact OD2-N 3.42Å; D61-G66 WeakPolarHBondContact OD2-CA 3.29Å; D61-G66 PolarHBondContact OD2-N 2.93Å; D61-L67 VanDerWaalsContact CG-O 3.29Å; D61-I68 HydrophobicContact CB-CG1 3.89Å
62T88.3Confident92.6Very high65 Ų6532.3 Ų32.340%0.39918%0.183SC..SBendtrans-77-26.9-179.759.20000112.4A60 K64 E72A60-T62 PolarHBondContact O-N 2.69Å; T62-K64 VanDerWaalsContact C-N 3.29Å; T62-E72 PolarHBondContact N-OE1 3.35Å; T62-E72 WeakPolarHBondContact OG1-CG 3.46Å; T62-E72 PolarHBondContact OG1-OE1 3.48Å
63T89Confident92.8Very high90 Ų9032.2 Ų32.255%0.55218%0.182SC*.SBendtrans-77.9-15.5177.559.70000113.1D61 D65 E72D61-T63 PolarHBondContact OD1-N 3.48Å; D61-T63 PolarHBondContact OD1-OG1 2.95Å; T63-D65 PolarHBondContact O-N 3.35Å; T63-E72 WeakPolarHBondContact CB-OE1 3.44Å; T63-E72 WeakPolarHBondContact CG2-OE1 3.49Å; T63-E72 PolarHBondContact N-OE1 2.84Å; T63-E72 PolarHBondContact OG1-OE1 3.13Å
64K91Very high92.9Very high50 Ų5034 Ų3422%0.21719%0.191CC..  trans60.131.7179.4-48.8-63.6168.4-175.10112.9S58 D61 T62 G66 N95 R96S58-K64 PolarHBondContact O-NZ 3.27Å; D61-K64 WeakPolarHBondContact O-CD 3.36Å; D61-K64 VanDerWaalsContact O-CE 3.23Å; D61-K64 WeakPolarHBondContact O-CE 3.26Å; D61-K64 PolarHBondContact O-NZ 3.2Å; D61-K64 VanDerWaalsContact O-NZ 3.14Å; D61-K64 VanDerWaalsContact OD1-CA 3.28Å; D61-K64 WeakPolarHBondContact OD1-CA 3.4Å; D61-K64 PolarHBondContact OD1-N 3.08Å; D61-K64 WeakPolarHBondContact OD2-CA 3.4Å; T62-K64 VanDerWaalsContact C-N 3.29Å; K64-G66 VanDerWaalsContact C-N 3.35Å; K64-N95 WeakPolarHBondContact CE-O 3.47Å; K64-N95 PolarHBondContact NZ-O 2.87Å; K64-N95 VanDerWaalsContact NZ-O 3.17Å; K64-R96 VanDerWaalsContact CD-O 3.32Å; K64-R96 WeakPolarHBondContact CD-O 3.16Å; K64-R96 WeakPolarHBondContact CG-O 3.49Å
65D90Very high92.9Very high91 Ų9132.7 Ų32.749%0.48719%0.191SC..SBendtrans-89.7-2.5179.782.5-4.1000113.4D61 T63 L67D61-D65 PolarHBondContact OD1-N 3.24Å; D61-D65 PolarHBondContact OD2-N 3.42Å; T63-D65 PolarHBondContact O-N 3.35Å; D65-L67 WeakPolarHBondContact OD1-CA 3.43Å; D65-L67 WeakPolarHBondContact OD1-CB 3.17Å; D65-L67 PolarHBondContact OD1-N 2.95Å; D65-L67 VanDerWaalsContact OD1-O 3.09Å
66G92.1Very high93Very high37 Ų3732.9 Ų32.938%0.38119%0.192SC..SBendtrans87.53.9179.800000114P32 D61 K64P32-G66 WeakPolarHBondContact CD-O 3.41Å; D61-G66 WeakPolarHBondContact OD2-CA 3.29Å; D61-G66 PolarHBondContact OD2-N 2.93Å; K64-G66 VanDerWaalsContact C-N 3.35Å
67L95.1Very high93Very high18 Ų1833 Ų339%0.09419%0.192CC..SBendtrans-128.3154.8176.6-64.9177.4000109.9V22 K24 Y29 T31 D61 D65V22-L67 HydrophobicContact CG1-CD1 4.2Å; V22-L67 HydrophobicContact CG2-CD2 4.37Å; K24-L67 HydrophobicContact CD-CD1 3.91Å; K24-L67 VanDerWaalsContact NZ-CD1 3.26Å; Y29-L67 HydrophobicContact CD1-CB 4.01Å; Y29-L67 HydrophobicContact CD1-CD1 4.47Å; Y29-L67 HydrophobicContact CG-CB 4.33Å; Y29-L67 HydrophobicContact CG-CD1 4.24Å; T31-L67 HydrophobicContact CG2-CD2 4.22Å; D61-L67 VanDerWaalsContact CG-O 3.29Å; D65-L67 WeakPolarHBondContact OD1-CA 3.43Å; D65-L67 WeakPolarHBondContact OD1-CB 3.17Å; D65-L67 PolarHBondContact OD1-N 2.95Å; D65-L67 VanDerWaalsContact OD1-O 3.09Å
68I96.1Very high92.7Very high1 Ų134 Ų341%0.00520%0.201CC..BIsolated β-bridgetrans-112114.3177.2-60.6159.3000108F16 Y29 M30 F35 A57 A60 D61 E72 F73F16-I68 WeakPolarHBondContact CZ-O 3.33Å; Y29-I68 WeakPolarHBondContact CA-O 3.39Å; M30-I68 HydrophobicContact CB-CB 4.22Å; M30-I68 PolarHBondContact N-O 3.31Å; M30-I68 PolarHBondContact O-N 3.42Å; F35-I68 HydrophobicContact CB-CD1 3.51Å; F35-I68 HydrophobicContact CD1-CD1 3.66Å; F35-I68 HydrophobicContact CD2-CD1 4.04Å; F35-I68 HydrophobicContact CE1-CD1 4.34Å; F35-I68 HydrophobicContact CG-CD1 3.47Å; F35-I68 VanDerWaalsContact CG-CD1 3.47Å; A57-I68 HydrophobicContact CB-CD1 4.22Å; A60-I68 HydrophobicContact CB-CD1 3.95Å; A60-I68 HydrophobicContact CB-CG1 4.25Å; A60-I68 HydrophobicContact CB-CG2 4.32Å; D61-I68 HydrophobicContact CB-CG1 3.89Å; I68-E72 HydrophobicContact CG2-CB 4.02Å; I68-F73 HydrophobicContact CG2-CB 4.28Å
69S95.5Very high92.7Very high20 Ų2034.3 Ų34.314%0.1420%0.201CC..  trans-73.7166172.5670000111.7E71 E72 F73S69-E71 VanDerWaalsContact C-N 3.27Å; S69-E71 PolarHBondContact O-N 2.85Å; S69-E72 WeakPolarHBondContact CB-OE2 3.42Å; S69-E72 PolarHBondContact N-OE2 2.87Å; S69-E72 PolarHBondContact O-N 2.98Å; S69-E72 WeakPolarHBondContact OG-CB 3.44Å; S69-E72 WeakPolarHBondContact OG-CG 3.27Å; S69-E72 PolarHBondContact OG-N 3.03Å; S69-E72 PolarHBondContact OG-OE2 3.45Å; S69-F73 WeakPolarHBondContact O-CB 3.46Å; S69-F73 PolarHBondContact O-N 3.14Å
70F94.8Very high92.5Very high22 Ų2234.4 Ų34.410%0.09620%0.201CC..Hα-helixtrans-63.8-34.1174.7-179.9-113.8000112.5T9 L12 R13 F16 F73 L74T9-F70 HydrophobicContact CG2-CE1 3.86Å; T9-F70 HydrophobicContact CG2-CZ 3.83Å; L12-F70 HydrophobicContact CB-CE2 4.33Å; R13-F70 HydrophobicContact CB-CE1 4.27Å; R13-F70 HydrophobicContact CB-CE2 3.75Å; R13-F70 HydrophobicContact CB-CZ 3.58Å; R13-F70 HydrophobicContact CG-CE2 4.32Å; R13-F70 HydrophobicContact CG-CZ 4.25Å; F16-F70 HydrophobicContact CB-CD2 3.71Å; F16-F70 HydrophobicContact CB-CE2 4.07Å; F16-F70 HydrophobicContact CD1-CB 4.14Å; F16-F70 AromaticContact CD1-CD2 3.97Å; F16-F70 HydrophobicContact CD1-CD2 3.97Å; F16-F70 HydrophobicContact CD1-CG 4.47Å; F16-F70 HydrophobicContact CD2-CD2 4.06Å; F16-F70 HydrophobicContact CE1-CB 4Å; F16-F70 HydrophobicContact CE2-CB 4.43Å; F16-F70 HydrophobicContact CG-CB 4.42Å; F16-F70 AromaticContact CG-CD2 3.65Å; F16-F70 HydrophobicContact CG-CD2 3.65Å; F16-F70 HydrophobicContact CG-CE2 4.48Å; F16-F70 HydrophobicContact CZ-CB 4.15Å; F70-F73 HydrophobicContact CD2-CD1 4.43Å; F70-F73 HydrophobicContact CE2-CD1 4.41Å; F70-F73 WeakPolarHBondContact O-CB 3.31Å; F70-F73 PolarHBondContact O-N 3.33Å; F70-L74 HydrophobicContact CD1-CD1 4.04Å; F70-L74 HydrophobicContact CD1-CG 4.4Å; F70-L74 HydrophobicContact CE1-CD1 3.49Å; F70-L74 VanDerWaalsContact CE1-CD1 3.49Å; F70-L74 HydrophobicContact CE1-CD2 4.37Å; F70-L74 HydrophobicContact CE1-CG 3.95Å; F70-L74 HydrophobicContact CE2-CD2 4.09Å; F70-L74 HydrophobicContact CE2-CG 4.1Å; F70-L74 HydrophobicContact CZ-CD1 3.77Å; F70-L74 HydrophobicContact CZ-CD2 3.76Å; F70-L74 HydrophobicContact CZ-CG 3.79Å; F70-L74 WeakPolarHBondContact O-CG 3.19Å; F70-L74 PolarHBondContact O-N 3.1Å
71E93.7Very high91.9Very high156 Ų15634.9 Ų34.973%0.72921%0.205SC*.Hα-helixtrans-66.8-42.4178.8-65.5-179.5-177.800111.3S69 L74 A75S69-E71 VanDerWaalsContact C-N 3.27Å; S69-E71 PolarHBondContact O-N 2.85Å; E71-L74 WeakPolarHBondContact O-CB 3.34Å; E71-L74 PolarHBondContact O-N 3.05Å; E71-A75 WeakPolarHBondContact O-CB 3.4Å; E71-A75 PolarHBondContact O-N 2.9Å
72E94.5Very high91.4Very high9 Ų936.6 Ų36.64%0.04222%0.215CC..Hα-helixtrans-63.3-42172.5-79.2168141.400112.3A60 T62 T63 I68 S69 L74 A75 F76A60-E72 WeakPolarHBondContact O-CB 3.33Å; T62-E72 PolarHBondContact N-OE1 3.35Å; T62-E72 WeakPolarHBondContact OG1-CG 3.46Å; T62-E72 PolarHBondContact OG1-OE1 3.48Å; T63-E72 WeakPolarHBondContact CB-OE1 3.44Å; T63-E72 WeakPolarHBondContact CG2-OE1 3.49Å; T63-E72 PolarHBondContact N-OE1 2.84Å; T63-E72 PolarHBondContact OG1-OE1 3.13Å; I68-E72 HydrophobicContact CG2-CB 4.02Å; S69-E72 WeakPolarHBondContact CB-OE2 3.42Å; S69-E72 PolarHBondContact N-OE2 2.87Å; S69-E72 PolarHBondContact O-N 2.98Å; S69-E72 WeakPolarHBondContact OG-CB 3.44Å; S69-E72 WeakPolarHBondContact OG-CG 3.27Å; S69-E72 PolarHBondContact OG-N 3.03Å; S69-E72 PolarHBondContact OG-OE2 3.45Å; E72-L74 VanDerWaalsContact C-N 3.28Å; E72-L74 PolarHBondContact O-N 3.48Å; E72-A75 PolarHBondContact O-N 3.48Å; E72-A75 VanDerWaalsContact O-N 3.15Å; E72-F76 WeakPolarHBondContact O-CB 3.38Å; E72-F76 PolarHBondContact O-N 3.04Å
73F94.7Very high90.7Very high0 Ų042.5 Ų42.50%023%0.23CC..Hα-helixtrans-59.6-38.5174.5-177-96.5000112.3L12 V15 F16 M30 F35 Y39 I68 S69 F70 E77 Y639L12-F73 HydrophobicContact CB-CE1 4.41Å; L12-F73 HydrophobicContact CD2-CE1 3.9Å; V15-F73 HydrophobicContact CG1-CZ 4.44Å; F16-F73 HydrophobicContact CB-CD1 4.23Å; F16-F73 HydrophobicContact CB-CE1 4.25Å; F16-F73 HydrophobicContact CD2-CB 3.64Å; F16-F73 AromaticContact CD2-CD1 3.95Å; F16-F73 HydrophobicContact CD2-CD1 3.95Å; F16-F73 AromaticContact CD2-CD2 3.85Å; F16-F73 HydrophobicContact CD2-CD2 3.85Å; F16-F73 HydrophobicContact CD2-CE2 4.46Å; F16-F73 AromaticContact CD2-CG 3.56Å; F16-F73 HydrophobicContact CD2-CG 3.56Å; F16-F73 HydrophobicContact CE2-CB 3.85Å; F16-F73 HydrophobicContact CE2-CD2 4.45Å; F16-F73 HydrophobicContact CE2-CG 4.21Å; M30-F73 HydrophobicContact CE-CD2 4.29Å; M30-F73 HydrophobicContact CE-CE2 4.02Å; M30-F73 HydrophobicContact SD-CD2 4.3Å; M30-F73 HydrophobicContact SD-CE2 4.35Å; F35-F73 HydrophobicContact CD2-CD2 4.31Å; F35-F73 HydrophobicContact CD2-CE2 4.4Å; F35-F73 HydrophobicContact CE2-CD2 4Å; F35-F73 HydrophobicContact CE2-CE2 4.12Å; Y39-F73 AromaticContact CD1-CE2 3.94Å; Y39-F73 HydrophobicContact CD1-CE2 3.94Å; Y39-F73 AromaticContact CE1-CE2 3.46Å; Y39-F73 HydrophobicContact CE1-CE2 3.46Å; Y39-F73 VanDerWaalsContact CE1-CE2 3.46Å; Y39-F73 AromaticContact CE1-CZ 3.72Å; Y39-F73 HydrophobicContact CE1-CZ 3.72Å; Y39-F73 AromaticContact CZ-CE2 3.96Å; Y39-F73 AromaticContact CZ-CZ 3.71Å; I68-F73 HydrophobicContact CG2-CB 4.28Å; S69-F73 WeakPolarHBondContact O-CB 3.46Å; S69-F73 PolarHBondContact O-N 3.14Å; F70-F73 HydrophobicContact CD2-CD1 4.43Å; F70-F73 HydrophobicContact CE2-CD1 4.41Å; F70-F73 WeakPolarHBondContact O-CB 3.31Å; F70-F73 PolarHBondContact O-N 3.33Å; F73-E77 PolarHBondContact O-N 3.14Å; F73-E77 VanDerWaalsContact O-N 3.12Å; F73-Y639 AromaticContact CD1-CE2 3.96Å; F73-Y639 HydrophobicContact CD1-CE2 3.96Å; F73-Y639 HydrophobicContact CD2-CE2 4.02Å; F73-Y639 AromaticContact CD2-CZ 3.68Å; F73-Y639 WeakPolarHBondContact CD2-OH 3.48Å; F73-Y639 HydrophobicContact CE1-CD2 4.23Å; F73-Y639 AromaticContact CE1-CE2 3.5Å; F73-Y639 HydrophobicContact CE1-CE2 3.5Å; F73-Y639 HydrophobicContact CE2-CD2 4.41Å; F73-Y639 HydrophobicContact CE2-CE1 4.15Å; F73-Y639 AromaticContact CE2-CE2 3.56Å; F73-Y639 HydrophobicContact CE2-CE2 3.56Å; F73-Y639 AromaticContact CE2-CZ 3.42Å; F73-Y639 VanDerWaalsContact CE2-CZ 3.42Å; F73-Y639 WeakPolarHBondContact CE2-OH 3.48Å; F73-Y639 HydrophobicContact CG-CE2 4.2Å; F73-Y639 WeakPolarHBondContact CG-OH 3.48Å; F73-Y639 AromaticContact CZ-CD2 3.88Å; F73-Y639 HydrophobicContact CZ-CD2 3.88Å; F73-Y639 AromaticContact CZ-CE2 3.28Å; F73-Y639 HydrophobicContact CZ-CE2 3.28Å; F73-Y639 AromaticContact CZ-CZ 3.7Å; F73-Y639 PolarHBondContact O-OH 3.24Å
74L93.3Very high90.5Very high41 Ų4141.1 Ų41.122%0.21522%0.219CC..Hα-helixtrans-71-39.1173.3-70.1178.7000112.6T9 L12 F70 E71 E72 F76 E77 A78T9-L74 HydrophobicContact CG2-CD1 3.9Å; T9-L74 HydrophobicContact CG2-CD2 4.32Å; L12-L74 HydrophobicContact CB-CD2 4.01Å; L12-L74 HydrophobicContact CD1-CD2 3.59Å; L12-L74 HydrophobicContact CG-CD2 4.42Å; F70-L74 HydrophobicContact CD1-CD1 4.04Å; F70-L74 HydrophobicContact CD1-CG 4.4Å; F70-L74 HydrophobicContact CE1-CD1 3.49Å; F70-L74 VanDerWaalsContact CE1-CD1 3.49Å; F70-L74 HydrophobicContact CE1-CD2 4.37Å; F70-L74 HydrophobicContact CE1-CG 3.95Å; F70-L74 HydrophobicContact CE2-CD2 4.09Å; F70-L74 HydrophobicContact CE2-CG 4.1Å; F70-L74 HydrophobicContact CZ-CD1 3.77Å; F70-L74 HydrophobicContact CZ-CD2 3.76Å; F70-L74 HydrophobicContact CZ-CG 3.79Å; F70-L74 WeakPolarHBondContact O-CG 3.19Å; F70-L74 PolarHBondContact O-N 3.1Å; E71-L74 WeakPolarHBondContact O-CB 3.34Å; E71-L74 PolarHBondContact O-N 3.05Å; E72-L74 VanDerWaalsContact C-N 3.28Å; E72-L74 PolarHBondContact O-N 3.48Å; L74-F76 VanDerWaalsContact C-N 3.33Å; L74-E77 PolarHBondContact O-N 3.07Å; L74-A78 PolarHBondContact O-N 3.42Å
75A92.3Very high90.4Very high51 Ų5139.3 Ų39.342%0.42121%0.213SC..Hα-helixtrans-63.6-42.1177.500000111E71 E72 A78 L79E71-A75 WeakPolarHBondContact O-CB 3.4Å; E71-A75 PolarHBondContact O-N 2.9Å; E72-A75 PolarHBondContact O-N 3.48Å; E72-A75 VanDerWaalsContact O-N 3.15Å; A75-A78 WeakPolarHBondContact O-CB 3.36Å; A75-A78 PolarHBondContact O-N 3.18Å; A75-L79 PolarHBondContact O-N 3.15Å
76F94.3Very high90.3Very high5 Ų536 Ų362%0.02220%0.196CC..Hα-helixtrans-68-37.4176.5-168.2-98.1000112.3F35 A59 A60 E72 L74 A78 L79 L80 W89 Y639F35-F76 HydrophobicContact CE1-CE1 4.38Å; F35-F76 AromaticContact CZ-CD1 3.74Å; F35-F76 HydrophobicContact CZ-CD1 3.74Å; F35-F76 AromaticContact CZ-CE1 3.77Å; F35-F76 HydrophobicContact CZ-CE1 3.77Å; F35-F76 HydrophobicContact CZ-CG 4.43Å; A59-F76 HydrophobicContact CB-CE2 4.02Å; A60-F76 HydrophobicContact CB-CB 3.99Å; A60-F76 HydrophobicContact CB-CD1 4.38Å; A60-F76 HydrophobicContact CB-CD2 3.87Å; A60-F76 HydrophobicContact CB-CE2 4.47Å; A60-F76 HydrophobicContact CB-CG 3.82Å; E72-F76 WeakPolarHBondContact O-CB 3.38Å; E72-F76 PolarHBondContact O-N 3.04Å; L74-F76 VanDerWaalsContact C-N 3.33Å; F76-A78 VanDerWaalsContact C-N 3.28Å; F76-A78 PolarHBondContact O-N 3.41Å; F76-L79 WeakPolarHBondContact O-CB 3.14Å; F76-L79 PolarHBondContact O-N 3.43Å; F76-L80 HydrophobicContact CD1-CD1 3.95Å; F76-L80 HydrophobicContact CD1-CG 4.2Å; F76-L80 HydrophobicContact CE1-CD1 3.7Å; F76-L80 HydrophobicContact CE1-CD2 4.17Å; F76-L80 HydrophobicContact CE1-CG 3.93Å; F76-L80 HydrophobicContact CZ-CD2 4.31Å; F76-L80 HydrophobicContact CZ-CG 4.44Å; F76-L80 WeakPolarHBondContact O-CG 3.31Å; F76-L80 PolarHBondContact O-N 3.14Å; F76-W89 HydrophobicContact CE1-CH2 4.37Å; F76-W89 HydrophobicContact CE1-CZ2 4.45Å; F76-W89 HydrophobicContact CE1-CZ3 4.45Å; F76-W89 HydrophobicContact CE2-CD2 4.17Å; F76-W89 HydrophobicContact CE2-CG 4.16Å; F76-W89 AromaticContact CZ-CD2 3.62Å; F76-W89 HydrophobicContact CZ-CD2 3.62Å; F76-W89 AromaticContact CZ-CE2 3.55Å; F76-W89 AromaticContact CZ-CE3 3.87Å; F76-W89 HydrophobicContact CZ-CE3 3.87Å; F76-W89 HydrophobicContact CZ-CG 4.1Å; F76-W89 HydrophobicContact CZ-CH2 4.01Å; F76-W89 AromaticContact CZ-CZ2 3.76Å; F76-W89 HydrophobicContact CZ-CZ2 3.76Å; F76-W89 HydrophobicContact CZ-CZ3 4.05Å; F76-W89 AromaticContact CZ-NE1 3.93Å; F76-Y639 AromaticContact CD1-CE1 3.62Å; F76-Y639 HydrophobicContact CD1-CE1 3.62Å; F76-Y639 AromaticContact CD1-CZ 3.95Å; F76-Y639 HydrophobicContact CE1-CE1 4.05Å
77E92.3Very high90.4Very high2 Ų237.8 Ų37.81%0.00919%0.191CC..Hα-helixtrans-57.9-42.8170.1-170.2-88173.100111.7L12 F73 L74 L79 L80 C81 G637 G638 Y639L12-E77 HydrophobicContact CD1-CG 4.14Å; L12-E77 HydrophobicContact CD2-CG 4.32Å; F73-E77 PolarHBondContact O-N 3.14Å; F73-E77 VanDerWaalsContact O-N 3.12Å; L74-E77 PolarHBondContact O-N 3.07Å; E77-L79 VanDerWaalsContact C-N 3.35Å; E77-L80 PolarHBondContact O-N 2.95Å; E77-C81 PolarHBondContact O-N 2.85Å; E77-C81 PolarHBondContact O-SG 3.42Å; E77-G637 WeakPolarHBondContact OE1-CA 3.11Å; E77-G638 PolarHBondContact OE1-N 2.89Å; E77-Y639 HydrophobicContact CB-CD2 4.01Å; E77-Y639 HydrophobicContact CB-CE2 3.61Å; E77-Y639 HydrophobicContact CG-CD2 3.88Å; E77-Y639 HydrophobicContact CG-CE2 4.01Å
78A88.5Confident90.3Very high25 Ų2538.7 Ų38.721%0.20720%0.196CC..Hα-helixtrans-66.9-36.5177.400000112.1L74 A75 F76 C81L74-A78 PolarHBondContact O-N 3.42Å; A75-A78 WeakPolarHBondContact O-CB 3.36Å; A75-A78 PolarHBondContact O-N 3.18Å; F76-A78 VanDerWaalsContact C-N 3.28Å; F76-A78 PolarHBondContact O-N 3.41Å; A78-C81 WeakPolarHBondContact O-CB 3.48Å; A78-C81 PolarHBondContact O-N 2.95Å
79L91.1Very high90.2Very high25 Ų2538.6 Ų38.613%0.13120%0.196CC..Hα-helixtrans-61-47173-177.4161.2000110.8A75 F76 E77 C81 T82 S85 L88 W89 E92A75-L79 PolarHBondContact O-N 3.15Å; F76-L79 WeakPolarHBondContact O-CB 3.14Å; F76-L79 PolarHBondContact O-N 3.43Å; E77-L79 VanDerWaalsContact C-N 3.35Å; L79-C81 PolarHBondContact O-N 3.26Å; L79-C81 VanDerWaalsContact O-N 3.17Å; L79-T82 WeakPolarHBondContact O-CG2 3.38Å; L79-T82 PolarHBondContact O-N 3.25Å; L79-T82 PolarHBondContact O-OG1 2.99Å; L79-T82 VanDerWaalsContact O-OG1 3.05Å; L79-S85 VanDerWaalsContact O-CB 3.3Å; L79-S85 WeakPolarHBondContact O-CB 3.23Å; L79-L88 HydrophobicContact CD1-CB 3.97Å; L79-L88 HydrophobicContact CD2-CB 3.91Å; L79-L88 HydrophobicContact CG-CB 3.78Å; L79-L88 HydrophobicContact CG-CD1 4.26Å; L79-W89 HydrophobicContact CD2-CB 4.07Å; L79-E92 HydrophobicContact CD1-CG 4.12Å
80L88.1Confident90.1Very high4 Ų437.7 Ų37.72%0.02119%0.189CC..Hα-helixtrans-62.2-24.7178.2-68.9175.6000113.1F76 E77 T82 W89 G638 Y639 A642 T645F76-L80 HydrophobicContact CD1-CD1 3.95Å; F76-L80 HydrophobicContact CD1-CG 4.2Å; F76-L80 HydrophobicContact CE1-CD1 3.7Å; F76-L80 HydrophobicContact CE1-CD2 4.17Å; F76-L80 HydrophobicContact CE1-CG 3.93Å; F76-L80 HydrophobicContact CZ-CD2 4.31Å; F76-L80 HydrophobicContact CZ-CG 4.44Å; F76-L80 WeakPolarHBondContact O-CG 3.31Å; F76-L80 PolarHBondContact O-N 3.14Å; E77-L80 PolarHBondContact O-N 2.95Å; L80-T82 VanDerWaalsContact C-N 3.33Å; L80-W89 HydrophobicContact CD2-CE3 3.58Å; L80-W89 HydrophobicContact CD2-CZ3 3.66Å; L80-G638 WeakPolarHBondContact CB-O 3.48Å; L80-G638 WeakPolarHBondContact CD1-O 3.25Å; L80-Y639 HydrophobicContact CD1-CD1 3.69Å; L80-Y639 HydrophobicContact CD1-CE1 4.01Å; L80-Y639 HydrophobicContact CD1-CG 4.25Å; L80-A642 HydrophobicContact CD1-CB 3.74Å; L80-T645 HydrophobicContact CD2-CG2 4.41Å
81C82.7Confident90.1Very high11 Ų1137 Ų377%0.07419%0.186CC..THydrogen-bonded Turntrans-77.8-12.1175.6-69.90000114.1H4 E77 A78 L79 G638H4-C81 HydrophobicContact CB-CB 3.82Å; H4-C81 PolarHBondContact CD2-O 3.24Å; H4-C81 PolarHBondContact CE1-O 3.25Å; H4-C81 VanDerWaalsContact CG-O 3.25Å; H4-C81 PolarHBondContact ND1-O 2.91Å; H4-C81 PolarHBondContact NE2-O 3.14Å; E77-C81 PolarHBondContact O-N 2.85Å; E77-C81 PolarHBondContact O-SG 3.42Å; A78-C81 WeakPolarHBondContact O-CB 3.48Å; A78-C81 PolarHBondContact O-N 2.95Å; L79-C81 PolarHBondContact O-N 3.26Å; L79-C81 VanDerWaalsContact O-N 3.17Å; C81-G638 WeakPolarHBondContact SG-CA 3.34Å
82T82.4Confident90.2Very high45 Ų4531.1 Ų31.128%0.27616%0.159SC..SBendtrans-75.7166.7-179.677.30000111.9L79 L80 D84 S85 L88L79-T82 WeakPolarHBondContact O-CG2 3.38Å; L79-T82 PolarHBondContact O-N 3.25Å; L79-T82 PolarHBondContact O-OG1 2.99Å; L79-T82 VanDerWaalsContact O-OG1 3.05Å; L80-T82 VanDerWaalsContact C-N 3.33Å; T82-D84 VanDerWaalsContact C-N 3.32Å; T82-D84 WeakPolarHBondContact CB-OD1 3.36Å; T82-D84 PolarHBondContact OG1-OD1 3.46Å; T82-S85 PolarHBondContact OG1-N 3.31Å; T82-L88 HydrophobicContact CG2-CD1 3.99Å; T82-L88 VanDerWaalsContact OG1-CD1 3.25Å; T82-L88 WeakPolarHBondContact OG1-CD1 3.32Å
83R74.2Confident90.1Very high189 Ų18930.7 Ų30.771%0.71316%0.157SC*.THydrogen-bonded Turntrans-75-26.1-178.2-66-178.5179.3175.1-0.5113.2
84D84.6Confident90.1Very high61 Ų6130.7 Ų30.733%0.32616%0.157SC..THydrogen-bonded Turntrans-111.622.8-175.659.4-21.3000111.5T82 L86 Y87 L88 Y143T82-D84 VanDerWaalsContact C-N 3.32Å; T82-D84 WeakPolarHBondContact CB-OD1 3.36Å; T82-D84 PolarHBondContact OG1-OD1 3.46Å; D84-L86 PolarHBondContact O-N 2.93Å; D84-Y87 PolarHBondContact O-N 3.26Å; D84-L88 PolarHBondContact O-N 3.19Å; D84-L88 WeakPolarHBondContact OD1-CD1 3.3Å; D84-Y143 WeakPolarHBondContact CB-OH 3Å; D84-Y143 PolarHBondContact OD2-OH 3.37Å
85S88Confident90.1Very high13 Ų1329 Ų299%0.09115%0.148CC..Hα-helixtrans-51.2-33.8-179.358.60000113.7L79 T82 Y87 L88 W89L79-S85 VanDerWaalsContact O-CB 3.3Å; L79-S85 WeakPolarHBondContact O-CB 3.23Å; T82-S85 PolarHBondContact OG1-N 3.31Å; S85-Y87 PolarHBondContact O-N 2.88Å; S85-L88 PolarHBondContact O-N 3.34Å; S85-W89 VanDerWaalsContact O-CB 3.3Å; S85-W89 WeakPolarHBondContact O-CB 3.42Å; S85-W89 PolarHBondContact O-N 3.28Å
86L88.8Confident90Very high22 Ų2230.2 Ų30.212%0.11514%0.141CC..Hα-helixtrans-54.4-50.4171.6176.866.6000112D84 T90 T645 I649 R652 L653D84-L86 PolarHBondContact O-N 2.93Å; L86-T90 WeakPolarHBondContact O-CB 3.25Å; L86-T90 PolarHBondContact O-N 3.22Å; L86-T90 PolarHBondContact O-OG1 3.16Å; L86-T645 HydrophobicContact CB-CG2 4.49Å; L86-I649 HydrophobicContact CD1-CB 4.35Å; L86-I649 HydrophobicContact CD1-CG1 3.63Å; L86-I649 VanDerWaalsContact CD1-N 3.32Å; L86-R652 HydrophobicContact CD2-CB 4.28Å; L86-L653 HydrophobicContact CD1-CD1 4.26Å; L86-L653 HydrophobicContact CD2-CG 4.46Å; L86-L653 HydrophobicContact CG-CD1 4.11Å; L86-L653 HydrophobicContact CG-CG 4.45Å
87Y93.1Very high89.7Confident73 Ų7334.1 Ų34.129%0.28616%0.163SC..Hα-helixtrans-77.3-37.8-178.1-69.4-78.5000111.6D84 S85 T90 F91 Y143 T147 I150 L653D84-Y87 PolarHBondContact O-N 3.26Å; S85-Y87 PolarHBondContact O-N 2.88Å; Y87-T90 PolarHBondContact O-N 3.15Å; Y87-F91 WeakPolarHBondContact O-CB 3.47Å; Y87-F91 PolarHBondContact O-N 3.29Å; Y87-Y143 WeakPolarHBondContact CB-OH 3.46Å; Y87-T147 HydrophobicContact CD1-CG2 4.06Å; Y87-T147 HydrophobicContact CG-CG2 4.12Å; Y87-I150 HydrophobicContact CD1-CG2 4.36Å; Y87-I150 HydrophobicContact CE1-CG2 4.28Å; Y87-L653 HydrophobicContact CD1-CD1 4.46Å; Y87-L653 HydrophobicContact CD1-CD2 4.48Å; Y87-L653 HydrophobicContact CE1-CD2 3.81Å
88L92.9Very high89.5Confident37 Ų3735.5 Ų35.519%0.19418%0.177CC..Hα-helixtrans-64.5-46.4177.1-74.8172000112.1L79 T82 D84 S85 T90 F91 E92 Y143L79-L88 HydrophobicContact CD1-CB 3.97Å; L79-L88 HydrophobicContact CD2-CB 3.91Å; L79-L88 HydrophobicContact CG-CB 3.78Å; L79-L88 HydrophobicContact CG-CD1 4.26Å; T82-L88 HydrophobicContact CG2-CD1 3.99Å; T82-L88 VanDerWaalsContact OG1-CD1 3.25Å; T82-L88 WeakPolarHBondContact OG1-CD1 3.32Å; D84-L88 PolarHBondContact O-N 3.19Å; D84-L88 WeakPolarHBondContact OD1-CD1 3.3Å; S85-L88 PolarHBondContact O-N 3.34Å; L88-T90 VanDerWaalsContact C-N 3.29Å; L88-T90 PolarHBondContact O-N 3.24Å; L88-F91 WeakPolarHBondContact O-CB 3.32Å; L88-F91 PolarHBondContact O-N 3.2Å; L88-E92 PolarHBondContact O-N 3.48Å; L88-Y143 HydrophobicContact CD2-CD1 4.36Å; L88-Y143 HydrophobicContact CD2-CD2 3.91Å; L88-Y143 HydrophobicContact CD2-CE1 4Å; L88-Y143 HydrophobicContact CD2-CE2 3.55Å; L88-Y143 HydrophobicContact CD2-CG 4.3Å; L88-Y143 HydrophobicContact CG-CE2 3.95Å
89W93.9Very high89.5Confident0 Ų039.6 Ų39.60%020%0.195CC..Hα-helixtrans-61.5-45.5175.7-174.3-8.4000109.3L40 L42 I56 F76 L79 L80 S85 F91 E92 L93 A642 T645 F646 I649L40-W89 HydrophobicContact CD1-CH2 4.23Å; L40-W89 HydrophobicContact CD1-CZ2 4.39Å; L42-W89 HydrophobicContact CD1-CH2 4.35Å; L42-W89 HydrophobicContact CD1-CZ2 4.37Å; I56-W89 HydrophobicContact CG2-CZ2 4.09Å; F76-W89 HydrophobicContact CE1-CH2 4.37Å; F76-W89 HydrophobicContact CE1-CZ2 4.45Å; F76-W89 HydrophobicContact CE1-CZ3 4.45Å; F76-W89 HydrophobicContact CE2-CD2 4.17Å; F76-W89 HydrophobicContact CE2-CG 4.16Å; F76-W89 AromaticContact CZ-CD2 3.62Å; F76-W89 HydrophobicContact CZ-CD2 3.62Å; F76-W89 AromaticContact CZ-CE2 3.55Å; F76-W89 AromaticContact CZ-CE3 3.87Å; F76-W89 HydrophobicContact CZ-CE3 3.87Å; F76-W89 HydrophobicContact CZ-CG 4.1Å; F76-W89 HydrophobicContact CZ-CH2 4.01Å; F76-W89 AromaticContact CZ-CZ2 3.76Å; F76-W89 HydrophobicContact CZ-CZ2 3.76Å; F76-W89 HydrophobicContact CZ-CZ3 4.05Å; F76-W89 AromaticContact CZ-NE1 3.93Å; L79-W89 HydrophobicContact CD2-CB 4.07Å; L80-W89 HydrophobicContact CD2-CE3 3.58Å; L80-W89 HydrophobicContact CD2-CZ3 3.66Å; S85-W89 VanDerWaalsContact O-CB 3.3Å; S85-W89 WeakPolarHBondContact O-CB 3.42Å; S85-W89 PolarHBondContact O-N 3.28Å; W89-F91 VanDerWaalsContact C-N 3.29Å; W89-F91 PolarHBondContact O-N 3.25Å; W89-E92 PolarHBondContact O-N 3.4Å; W89-E92 VanDerWaalsContact O-N 3.09Å; W89-L93 WeakPolarHBondContact O-CG 3.2Å; W89-L93 PolarHBondContact O-N 3.42Å; W89-A642 HydrophobicContact CH2-CB 4.35Å; W89-A642 HydrophobicContact CZ3-CB 4.26Å; W89-A642 WeakPolarHBondContact CZ3-O 3.39Å; W89-T645 HydrophobicContact CE3-CG2 3.65Å; W89-T645 HydrophobicContact CZ3-CG2 4.27Å; W89-F646 HydrophobicContact CH2-CB 3.81Å; W89-F646 HydrophobicContact CH2-CD2 4.3Å; W89-F646 HydrophobicContact CH2-CG 4.45Å; W89-F646 HydrophobicContact CZ2-CB 4.35Å; W89-F646 AromaticContact CZ2-CD2 3.98Å; W89-F646 HydrophobicContact CZ2-CD2 3.98Å; W89-F646 HydrophobicContact CZ3-CB 4.05Å; W89-I649 HydrophobicContact CB-CD1 4.03Å; W89-I649 HydrophobicContact CD2-CD1 3.89Å; W89-I649 HydrophobicContact CE3-CD1 4.39Å; W89-I649 HydrophobicContact CG-CD1 3.72Å
90T94.1Very high89.5Confident0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-59.4-40.9176.7-53.20000112.2L86 Y87 L88 E92 L93 F94 F146 I649 L653 L655L86-T90 WeakPolarHBondContact O-CB 3.25Å; L86-T90 PolarHBondContact O-N 3.22Å; L86-T90 PolarHBondContact O-OG1 3.16Å; Y87-T90 PolarHBondContact O-N 3.15Å; L88-T90 VanDerWaalsContact C-N 3.29Å; L88-T90 PolarHBondContact O-N 3.24Å; T90-E92 VanDerWaalsContact C-N 3.33Å; T90-E92 PolarHBondContact O-N 3.36Å; T90-L93 WeakPolarHBondContact O-CB 3.2Å; T90-L93 PolarHBondContact O-N 3.47Å; T90-F94 HydrophobicContact CG2-CD2 4.32Å; T90-F94 HydrophobicContact CG2-CE2 4.11Å; T90-F94 VanDerWaalsContact O-CD2 3.22Å; T90-F94 WeakPolarHBondContact O-CD2 3.34Å; T90-F94 PolarHBondContact O-N 3.27Å; T90-F146 HydrophobicContact CG2-CE1 3.95Å; T90-F146 HydrophobicContact CG2-CZ 3.87Å; T90-I649 WeakPolarHBondContact OG1-CG1 3.34Å; T90-L653 HydrophobicContact CG2-CD1 3.78Å; T90-L653 WeakPolarHBondContact OG1-CD1 3.31Å; T90-L655 HydrophobicContact CG2-CD1 3.34Å
91F95.5Very high89.8Confident8 Ų840.9 Ų40.94%0.03521%0.212CC..Hα-helixtrans-60.2-44.2175.1179.9-94.8000111.4Y87 L88 W89 L93 F94 N95 G100 I102 Y143 F146Y87-F91 WeakPolarHBondContact O-CB 3.47Å; Y87-F91 PolarHBondContact O-N 3.29Å; L88-F91 WeakPolarHBondContact O-CB 3.32Å; L88-F91 PolarHBondContact O-N 3.2Å; W89-F91 VanDerWaalsContact C-N 3.29Å; W89-F91 PolarHBondContact O-N 3.25Å; F91-L93 VanDerWaalsContact C-N 3.3Å; F91-L93 PolarHBondContact O-N 3.25Å; F91-F94 CarbonylContact O-C 3.56Å; F91-F94 WeakPolarHBondContact O-CA 3.37Å; F91-F94 PolarHBondContact O-N 3.11Å; F91-N95 HydrophobicContact CD1-CB 4.41Å; F91-N95 HydrophobicContact CE1-CB 4.17Å; F91-N95 WeakPolarHBondContact O-CB 3.37Å; F91-N95 PolarHBondContact O-N 2.67Å; F91-G100 WeakPolarHBondContact CZ-O 3.36Å; F91-I102 HydrophobicContact CD2-CD1 3.38Å; F91-I102 HydrophobicContact CD2-CG1 4.14Å; F91-I102 HydrophobicContact CE2-CD1 3.41Å; F91-I102 VanDerWaalsContact CE2-CD1 3.41Å; F91-I102 HydrophobicContact CE2-CG1 3.72Å; F91-I102 HydrophobicContact CG-CD1 4.26Å; F91-I102 HydrophobicContact CZ-CD1 4.3Å; F91-I102 HydrophobicContact CZ-CG1 4.18Å; F91-Y143 HydrophobicContact CB-CD2 3.8Å; F91-Y143 HydrophobicContact CB-CE2 4.22Å; F91-Y143 HydrophobicContact CD1-CD2 4.43Å; F91-Y143 AromaticContact CD2-CD2 3.95Å; F91-Y143 HydrophobicContact CD2-CD2 3.95Å; F91-Y143 VanDerWaalsContact CE2-CA 3.49Å; F91-Y143 AromaticContact CG-CD2 3.8Å; F91-Y143 HydrophobicContact CG-CD2 3.8Å; F91-F146 HydrophobicContact CB-CD1 3.93Å; F91-F146 HydrophobicContact CB-CE1 4.04Å; F91-F146 HydrophobicContact CD2-CB 3.82Å; F91-F146 AromaticContact CD2-CD1 3.73Å; F91-F146 HydrophobicContact CD2-CD1 3.73Å; F91-F146 HydrophobicContact CD2-CE1 4.47Å; F91-F146 AromaticContact CD2-CG 3.8Å; F91-F146 HydrophobicContact CD2-CG 3.8Å; F91-F146 HydrophobicContact CE2-CB 4.18Å; F91-F146 HydrophobicContact CG-CD1 4.35Å
92E94.6Very high90.4Very high33 Ų3340.4 Ų40.415%0.15421%0.208CC..Hα-helixtrans-66.8-27.5178-68.2-54.1149.200113.8A59 L79 L88 W89 T90 F94 N95A59-E92 HydrophobicContact CB-CB 3.83Å; L79-E92 HydrophobicContact CD1-CG 4.12Å; L88-E92 PolarHBondContact O-N 3.48Å; W89-E92 PolarHBondContact O-N 3.4Å; W89-E92 VanDerWaalsContact O-N 3.09Å; T90-E92 VanDerWaalsContact C-N 3.33Å; T90-E92 PolarHBondContact O-N 3.36Å; E92-F94 PolarHBondContact O-N 3.02Å; E92-N95 PolarHBondContact O-N 3.46Å; E92-N95 PolarHBondContact OE2-ND2 3.02Å
93L93.8Very high91Very high0 Ų039.6 Ų39.60%020%0.204CC..Hα-helixtrans-63.3-32.9169.8-63.7174.7000112C55 I56 A59 W89 T90 F91 I649 F657C55-L93 WeakPolarHBondContact O-CD2 3.45Å; I56-L93 HydrophobicContact CG1-CD2 4.23Å; A59-L93 HydrophobicContact CB-CD2 3.95Å; A59-L93 HydrophobicContact CB-CG 4.43Å; W89-L93 WeakPolarHBondContact O-CG 3.2Å; W89-L93 PolarHBondContact O-N 3.42Å; T90-L93 WeakPolarHBondContact O-CB 3.2Å; T90-L93 PolarHBondContact O-N 3.47Å; F91-L93 VanDerWaalsContact C-N 3.3Å; F91-L93 PolarHBondContact O-N 3.25Å; L93-I649 HydrophobicContact CD1-CD1 4.15Å; L93-I649 HydrophobicContact CD1-CG2 4.38Å; L93-F657 HydrophobicContact CD1-CE2 4.03Å; L93-F657 HydrophobicContact CD1-CZ 4.14Å
94F94.9Very high92Very high0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-90.8-23.2-179.9-78.1-112.2000112.7T90 F91 E92 R96 I102 N106 F107 T110 L111 F146 I150 L655T90-F94 HydrophobicContact CG2-CD2 4.32Å; T90-F94 HydrophobicContact CG2-CE2 4.11Å; T90-F94 VanDerWaalsContact O-CD2 3.22Å; T90-F94 WeakPolarHBondContact O-CD2 3.34Å; T90-F94 PolarHBondContact O-N 3.27Å; F91-F94 CarbonylContact O-C 3.56Å; F91-F94 WeakPolarHBondContact O-CA 3.37Å; F91-F94 PolarHBondContact O-N 3.11Å; E92-F94 PolarHBondContact O-N 3.02Å; F94-R96 PolarHBondContact O-N 2.96Å; F94-I102 HydrophobicContact CB-CD1 3.46Å; F94-I102 VanDerWaalsContact CB-CD1 3.46Å; F94-I102 HydrophobicContact CB-CG1 3.87Å; F94-I102 HydrophobicContact CB-CG2 4.21Å; F94-I102 HydrophobicContact CG-CD1 4.38Å; F94-N106 WeakPolarHBondContact O-CB 3.38Å; F94-F107 HydrophobicContact CD1-CB 4.33Å; F94-F107 AromaticContact CD1-CD2 3.45Å; F94-F107 HydrophobicContact CD1-CD2 3.45Å; F94-F107 VanDerWaalsContact CD1-CD2 3.45Å; F94-F107 HydrophobicContact CD1-CE2 4.03Å; F94-F107 HydrophobicContact CD1-CG 4.13Å; F94-F107 AromaticContact CE1-CD2 3.44Å; F94-F107 HydrophobicContact CE1-CD2 3.44Å; F94-F107 VanDerWaalsContact CE1-CD2 3.44Å; F94-F107 AromaticContact CE1-CE2 3.64Å; F94-F107 HydrophobicContact CE1-CE2 3.64Å; F94-F107 HydrophobicContact CE1-CG 4.07Å; F94-F107 HydrophobicContact CE1-CZ 4.41Å; F94-T110 HydrophobicContact CD1-CG2 4.26Å; F94-T110 HydrophobicContact CD2-CG2 3.7Å; F94-T110 HydrophobicContact CE1-CG2 4.23Å; F94-T110 HydrophobicContact CE2-CG2 3.7Å; F94-T110 HydrophobicContact CG-CG2 4.01Å; F94-T110 HydrophobicContact CZ-CG2 3.97Å; F94-L111 HydrophobicContact CE1-CD2 4.28Å; F94-L111 HydrophobicContact CE1-CG 3.96Å; F94-L111 HydrophobicContact CZ-CD2 3.91Å; F94-L111 HydrophobicContact CZ-CG 4.07Å; F94-F146 HydrophobicContact CB-CE2 4.17Å; F94-F146 HydrophobicContact CB-CZ 4.34Å; F94-F146 AromaticContact CD1-CE2 3.8Å; F94-F146 HydrophobicContact CD1-CE2 3.8Å; F94-F146 HydrophobicContact CD1-CZ 4.31Å; F94-F146 HydrophobicContact CD2-CE2 4.06Å; F94-F146 AromaticContact CD2-CZ 3.72Å; F94-F146 HydrophobicContact CD2-CZ 3.72Å; F94-F146 HydrophobicContact CE1-CE2 4.18Å; F94-F146 HydrophobicContact CE2-CE2 4.39Å; F94-F146 HydrophobicContact CE2-CZ 4.02Å; F94-F146 AromaticContact CG-CE2 3.75Å; F94-F146 HydrophobicContact CG-CE2 3.75Å; F94-F146 AromaticContact CG-CZ 3.88Å; F94-F146 HydrophobicContact CG-CZ 3.88Å; F94-F146 HydrophobicContact CZ-CE2 4.45Å; F94-F146 HydrophobicContact CZ-CZ 4.46Å; F94-I150 HydrophobicContact CE2-CD1 4.47Å; F94-I150 HydrophobicContact CZ-CD1 3.99Å; F94-L655 HydrophobicContact CE2-CD1 3.79Å; F94-L655 HydrophobicContact CE2-CD2 4.42Å; F94-L655 HydrophobicContact CZ-CD1 4.29Å; F94-L655 HydrophobicContact CZ-CD2 4.19Å
95N93.2Very high92.5Very high4 Ų433 Ų332%0.02118%0.182CC..  trans-78.859.4176.3-178.332000111.5K64 F91 E92 D97 G98 L99 G100K64-N95 WeakPolarHBondContact CE-O 3.47Å; K64-N95 PolarHBondContact NZ-O 2.87Å; K64-N95 VanDerWaalsContact NZ-O 3.17Å; F91-N95 HydrophobicContact CD1-CB 4.41Å; F91-N95 HydrophobicContact CE1-CB 4.17Å; F91-N95 WeakPolarHBondContact O-CB 3.37Å; F91-N95 PolarHBondContact O-N 2.67Å; E92-N95 PolarHBondContact O-N 3.46Å; E92-N95 PolarHBondContact OE2-ND2 3.02Å; N95-D97 PolarHBondContact O-N 3.1Å; N95-G98 PolarHBondContact O-N 2.89Å; N95-G98 VanDerWaalsContact O-N 3.16Å; N95-G98 PolarHBondContact OD1-N 2.9Å; N95-L99 PolarHBondContact OD1-N 3.39Å; N95-G100 PolarHBondContact ND2-N 3.49Å; N95-G100 PolarHBondContact OD1-N 2.92Å; N95-G100 VanDerWaalsContact OD1-N 3.16Å
96R89.1Confident92.8Very high77 Ų7732.6 Ų32.629%0.29118%0.178SC..THydrogen-bonded Turntrans-65.1-22.6-172.2-59.9-178.568.21162.2114.7K64 F94 N106 M113K64-R96 VanDerWaalsContact CD-O 3.32Å; K64-R96 WeakPolarHBondContact CD-O 3.16Å; K64-R96 WeakPolarHBondContact CG-O 3.49Å; F94-R96 PolarHBondContact O-N 2.96Å; R96-N106 HydrophobicContact CB-CB 4.38Å; R96-N106 HydrophobicContact CG-CB 4.31Å; R96-M113 PolarHBondContact NH1-SD 3.42Å
97D89.1Confident93.1Very high88 Ų8831.6 Ų31.647%0.47117%0.173SC..THydrogen-bonded Turntrans-95.5-3.8-179.9-55.7-32.1000113N95 L99 N106N95-D97 PolarHBondContact O-N 3.1Å; D97-L99 HydrophobicContact CB-CD1 4.01Å; D97-L99 HydrophobicContact CB-CG 3.88Å; D97-L99 PolarHBondContact O-N 3.23Å; D97-N106 PolarHBondContact OD2-ND2 3.29Å
98G87Confident93.1Very high31 Ų3131.9 Ų31.932%0.3218%0.176SC..SBendtrans69.514.2179.700000114.5N95 G100N95-G98 PolarHBondContact O-N 2.89Å; N95-G98 VanDerWaalsContact O-N 3.16Å; N95-G98 PolarHBondContact OD1-N 2.9Å; G98-G100 VanDerWaalsContact C-N 3.28Å; G98-G100 PolarHBondContact O-N 3.43Å
99L88.9Confident93.1Very high110 Ų11034.7 Ų34.758%0.57619%0.187SC*.SBendtrans-82-3.6-175.5-61.5177.9000113.8N95 D97 V101N95-L99 PolarHBondContact OD1-N 3.39Å; D97-L99 HydrophobicContact CB-CD1 4.01Å; D97-L99 HydrophobicContact CB-CG 3.88Å; D97-L99 PolarHBondContact O-N 3.23Å; L99-V101 HydrophobicContact CB-CG2 4Å; L99-V101 PolarHBondContact O-N 3.43Å
100G90.1Very high93Very high36 Ų3634.8 Ų34.837%0.37119%0.187SC..SBendtrans73.713.1-176.500000113.5F91 N95 G98F91-G100 WeakPolarHBondContact CZ-O 3.36Å; N95-G100 PolarHBondContact ND2-N 3.49Å; N95-G100 PolarHBondContact OD1-N 2.92Å; N95-G100 VanDerWaalsContact OD1-N 3.16Å; G98-G100 VanDerWaalsContact C-N 3.28Å; G98-G100 PolarHBondContact O-N 3.43Å
101V94.3Very high92.9Very high21 Ų2134.8 Ų34.813%0.12719%0.187CC..SBendtrans-144.5146.6178.4-69.20000109.8L99 K140 I141 H142L99-V101 HydrophobicContact CB-CG2 4Å; L99-V101 PolarHBondContact O-N 3.43Å; V101-K140 HydrophobicContact CB-CB 4.05Å; V101-K140 HydrophobicContact CB-CD 4.45Å; V101-K140 HydrophobicContact CG2-CB 4.16Å; V101-K140 HydrophobicContact CG2-CD 3.64Å; V101-K140 HydrophobicContact CG2-CG 4.5Å; V101-I141 WeakPolarHBondContact CA-O 3.29Å; V101-H142 WeakPolarHBondContact CG1-CE1 3.21Å; V101-H142 WeakPolarHBondContact CG1-ND1 3.39Å
102I95.6Very high92.6Very high0 Ų037.4 Ų37.40%020%0.202CC..BIsolated β-bridgetrans-99122.6-178.9-61.3165000109.5F91 F94 F107 K140 I141 F146F91-I102 HydrophobicContact CD2-CD1 3.38Å; F91-I102 HydrophobicContact CD2-CG1 4.14Å; F91-I102 HydrophobicContact CE2-CD1 3.41Å; F91-I102 VanDerWaalsContact CE2-CD1 3.41Å; F91-I102 HydrophobicContact CE2-CG1 3.72Å; F91-I102 HydrophobicContact CG-CD1 4.26Å; F91-I102 HydrophobicContact CZ-CD1 4.3Å; F91-I102 HydrophobicContact CZ-CG1 4.18Å; F94-I102 HydrophobicContact CB-CD1 3.46Å; F94-I102 VanDerWaalsContact CB-CD1 3.46Å; F94-I102 HydrophobicContact CB-CG1 3.87Å; F94-I102 HydrophobicContact CB-CG2 4.21Å; F94-I102 HydrophobicContact CG-CD1 4.38Å; I102-F107 HydrophobicContact CG2-CB 3.91Å; I102-F107 HydrophobicContact CG2-CD2 4.34Å; I102-K140 WeakPolarHBondContact O-CA 3.46Å; I102-I141 HydrophobicContact CB-CB 4.38Å; I102-I141 PolarHBondContact N-O 3.22Å; I102-I141 PolarHBondContact O-N 3.03Å; I102-F146 HydrophobicContact CD1-CB 4.14Å; I102-F146 HydrophobicContact CD1-CD1 4.36Å; I102-F146 HydrophobicContact CD1-CD2 3.29Å; I102-F146 HydrophobicContact CD1-CE2 3.67Å; I102-F146 HydrophobicContact CD1-CG 3.67Å; I102-F146 HydrophobicContact CD1-CZ 4.34Å
103S95.7Very high92.2Very high29 Ų2937.9 Ų37.920%0.20320%0.204CC..  trans-83.5159.1169.6680000110.8D105 N106 F107S103-D105 VanDerWaalsContact C-N 3.27Å; S103-D105 PolarHBondContact O-N 3.5Å; S103-N106 PolarHBondContact O-N 3.19Å; S103-N106 WeakPolarHBondContact OG-CB 3.45Å; S103-N106 VanDerWaalsContact OG-CG 3.31Å; S103-N106 PolarHBondContact OG-N 3.44Å; S103-N106 PolarHBondContact OG-ND2 3.41Å; S103-F107 PolarHBondContact O-N 3.4Å
104F95.7Very high91.9Very high33 Ų3338.1 Ų38.115%0.14521%0.206CC..Hα-helixtrans-55.4-43.4174.6168.4-108.8000112.4N106 F107 K108 F124 I129 F133 R137F104-N106 PolarHBondContact O-N 3.04Å; F104-F107 WeakPolarHBondContact O-CB 3.49Å; F104-F107 PolarHBondContact O-N 2.98Å; F104-K108 HydrophobicContact CZ-CD 4.21Å; F104-K108 WeakPolarHBondContact O-CB 3.31Å; F104-K108 PolarHBondContact O-N 3.46Å; F104-F124 HydrophobicContact CE2-CB 4.04Å; F104-F124 AromaticContact CE2-CD1 4Å; F104-F124 HydrophobicContact CE2-CD1 4Å; F104-F124 HydrophobicContact CE2-CG 4.38Å; F104-F124 HydrophobicContact CZ-CB 3.93Å; F104-F124 HydrophobicContact CZ-CD1 4.48Å; F104-F124 HydrophobicContact CZ-CG 4.46Å; F104-I129 HydrophobicContact CD2-CG2 3.77Å; F104-I129 HydrophobicContact CE2-CG2 3.48Å; F104-I129 VanDerWaalsContact CE2-CG2 3.48Å; F104-I129 HydrophobicContact CZ-CG2 4.46Å; F104-F133 HydrophobicContact CB-CB 4.19Å; F104-F133 HydrophobicContact CB-CD1 3.7Å; F104-F133 HydrophobicContact CB-CE1 4.24Å; F104-F133 HydrophobicContact CB-CG 3.96Å; F104-F133 HydrophobicContact CD2-CB 4.4Å; F104-F133 HydrophobicContact CD2-CD2 4.24Å; F104-F133 HydrophobicContact CD2-CG 4.18Å; F104-R137 HydrophobicContact CB-CB 4.08Å; F104-R137 HydrophobicContact CD1-CB 3.95Å; F104-R137 HydrophobicContact CD1-CG 3.85Å; F104-R137 HydrophobicContact CE1-CG 4.16Å; F104-R137 HydrophobicContact CG-CB 4.12Å; F104-R137 HydrophobicContact CG-CG 4.17Å
105D94.6Very high91.1Very high78 Ų7841.8 Ų41.842%0.41723%0.225SC..Hα-helixtrans-63-42.4-179-176.356.4000111.6S103 K108 K109S103-D105 VanDerWaalsContact C-N 3.27Å; S103-D105 PolarHBondContact O-N 3.5Å; D105-K108 PolarHBondContact O-N 2.89Å; D105-K109 VanDerWaalsContact O-CB 3.29Å; D105-K109 WeakPolarHBondContact O-CB 3.44Å; D105-K109 VanDerWaalsContact O-CG 3.25Å; D105-K109 WeakPolarHBondContact O-CG 2.89Å; D105-K109 PolarHBondContact O-N 3.41Å; D105-K109 WeakPolarHBondContact OD1-CE 3.22Å; D105-K109 IonicContact OD1-NZ 3.57Å; D105-K109 WeakPolarHBondContact OD2-CE 3.31Å; D105-K109 IonicContact OD2-NZ 3.92Å; D105-K109 PolarHBondContact OD2-NZ 2.73Å
106N94Very high90.2Very high4 Ų442.5 Ų42.52%0.02123%0.23CC..Hα-helixtrans-67.2-38.8175.5-71.4-19.2000112.5F94 R96 D97 S103 F104 T110F94-N106 WeakPolarHBondContact O-CB 3.38Å; R96-N106 HydrophobicContact CB-CB 4.38Å; R96-N106 HydrophobicContact CG-CB 4.31Å; D97-N106 PolarHBondContact OD2-ND2 3.29Å; S103-N106 PolarHBondContact O-N 3.19Å; S103-N106 WeakPolarHBondContact OG-CB 3.45Å; S103-N106 VanDerWaalsContact OG-CG 3.31Å; S103-N106 PolarHBondContact OG-N 3.44Å; S103-N106 PolarHBondContact OG-ND2 3.41Å; F104-N106 PolarHBondContact O-N 3.04Å; N106-T110 WeakPolarHBondContact O-CB 3.41Å; N106-T110 PolarHBondContact O-N 2.77Å; N106-T110 PolarHBondContact O-OG1 3.21Å
107F94.4Very high89.7Confident1 Ų139.2 Ų39.20%0.00422%0.217CC..Hα-helixtrans-60.2-50.1175.7-172.2-94.5000111.4F94 I102 S103 F104 T110 L111 F124 I129 F133 F146 I149 F153F94-F107 HydrophobicContact CD1-CB 4.33Å; F94-F107 AromaticContact CD1-CD2 3.45Å; F94-F107 HydrophobicContact CD1-CD2 3.45Å; F94-F107 VanDerWaalsContact CD1-CD2 3.45Å; F94-F107 HydrophobicContact CD1-CE2 4.03Å; F94-F107 HydrophobicContact CD1-CG 4.13Å; F94-F107 AromaticContact CE1-CD2 3.44Å; F94-F107 HydrophobicContact CE1-CD2 3.44Å; F94-F107 VanDerWaalsContact CE1-CD2 3.44Å; F94-F107 AromaticContact CE1-CE2 3.64Å; F94-F107 HydrophobicContact CE1-CE2 3.64Å; F94-F107 HydrophobicContact CE1-CG 4.07Å; F94-F107 HydrophobicContact CE1-CZ 4.41Å; I102-F107 HydrophobicContact CG2-CB 3.91Å; I102-F107 HydrophobicContact CG2-CD2 4.34Å; S103-F107 PolarHBondContact O-N 3.4Å; F104-F107 WeakPolarHBondContact O-CB 3.49Å; F104-F107 PolarHBondContact O-N 2.98Å; F107-T110 PolarHBondContact O-N 2.63Å; F107-L111 HydrophobicContact CD1-CD1 3.68Å; F107-L111 HydrophobicContact CE1-CD1 3.22Å; F107-L111 HydrophobicContact CE1-CG 4.43Å; F107-L111 HydrophobicContact CE2-CD1 4.44Å; F107-L111 HydrophobicContact CG-CD1 4.46Å; F107-L111 HydrophobicContact CZ-CD1 3.66Å; F107-L111 WeakPolarHBondContact O-CG 2.99Å; F107-L111 PolarHBondContact O-N 3.25Å; F107-L111 VanDerWaalsContact O-N 3.14Å; F107-F124 HydrophobicContact CD1-CE1 4.25Å; F107-F124 HydrophobicContact CE1-CE1 4.45Å; F107-I129 HydrophobicContact CD1-CD1 4.43Å; F107-I129 HydrophobicContact CE1-CD1 4.09Å; F107-F133 HydrophobicContact CB-CE1 4.37Å; F107-F133 HydrophobicContact CB-CE2 4.24Å; F107-F133 HydrophobicContact CB-CZ 3.67Å; F107-F133 AromaticContact CD1-CE2 3.93Å; F107-F133 HydrophobicContact CD1-CE2 3.93Å; F107-F133 HydrophobicContact CD1-CZ 4.19Å; F107-F133 HydrophobicContact CD2-CE2 4.31Å; F107-F133 AromaticContact CD2-CZ 3.96Å; F107-F133 HydrophobicContact CD2-CZ 3.96Å; F107-F133 HydrophobicContact CE1-CE2 4.36Å; F107-F133 AromaticContact CG-CE2 3.91Å; F107-F133 HydrophobicContact CG-CE2 3.91Å; F107-F133 AromaticContact CG-CZ 3.69Å; F107-F133 HydrophobicContact CG-CZ 3.69Å; F107-F146 HydrophobicContact CD2-CE2 4.37Å; F107-F146 HydrophobicContact CE2-CE2 4.15Å; F107-I149 HydrophobicContact CE2-CG2 3.96Å; F107-I149 HydrophobicContact CZ-CG2 3.95Å; F107-F153 HydrophobicContact CE1-CD2 4.33Å; F107-F153 HydrophobicContact CZ-CD2 4.26Å; F107-F153 HydrophobicContact CZ-CG 4.48Å
108K93.8Very high89Confident79 Ų7941.2 Ų41.234%0.34322%0.222SC..Hα-helixtrans-60.7-53.1176.6176.3172.8-179.7-172.80112F104 D105 T110 L111 D112 F124F104-K108 HydrophobicContact CZ-CD 4.21Å; F104-K108 WeakPolarHBondContact O-CB 3.31Å; F104-K108 PolarHBondContact O-N 3.46Å; D105-K108 PolarHBondContact O-N 2.89Å; K108-T110 PolarHBondContact O-N 2.87Å; K108-L111 PolarHBondContact O-N 3.45Å; K108-L111 VanDerWaalsContact O-N 3.16Å; K108-D112 WeakPolarHBondContact CE-OD2 3.42Å; K108-D112 WeakPolarHBondContact CG-OD2 3.29Å; K108-D112 WeakPolarHBondContact O-CB 3.31Å; K108-D112 VanDerWaalsContact O-CG 3.31Å; K108-D112 PolarHBondContact O-N 3.39Å; K108-F124 HydrophobicContact CB-CD1 4.12Å; K108-F124 HydrophobicContact CB-CE1 3.88Å; K108-F124 HydrophobicContact CB-CE2 4.48Å; K108-F124 HydrophobicContact CB-CZ 4.08Å; K108-F124 HydrophobicContact CD-CD2 3.97Å; K108-F124 HydrophobicContact CD-CE2 4.27Å; K108-F124 HydrophobicContact CD-CG 4.11Å; K108-F124 HydrophobicContact CG-CD1 4.23Å; K108-F124 HydrophobicContact CG-CD2 3.94Å; K108-F124 HydrophobicContact CG-CE1 4.04Å; K108-F124 HydrophobicContact CG-CE2 3.74Å; K108-F124 HydrophobicContact CG-CG 4.18Å; K108-F124 HydrophobicContact CG-CZ 3.8Å
109K92Very high88.5Confident97 Ų9744.7 Ų44.742%0.42223%0.23SC..Hα-helixtrans-56-39-179.5-78.4172.3175.2169.50112.7D105 M113D105-K109 VanDerWaalsContact O-CB 3.29Å; D105-K109 WeakPolarHBondContact O-CB 3.44Å; D105-K109 VanDerWaalsContact O-CG 3.25Å; D105-K109 WeakPolarHBondContact O-CG 2.89Å; D105-K109 PolarHBondContact O-N 3.41Å; D105-K109 WeakPolarHBondContact OD1-CE 3.22Å; D105-K109 IonicContact OD1-NZ 3.57Å; D105-K109 WeakPolarHBondContact OD2-CE 3.31Å; D105-K109 IonicContact OD2-NZ 3.92Å; D105-K109 PolarHBondContact OD2-NZ 2.73Å; K109-M113 WeakPolarHBondContact O-CG 3.4Å; K109-M113 PolarHBondContact O-N 3.22Å
110T92.4Very high88.2Confident1 Ų139.8 Ų39.81%0.00620%0.204CC..Hα-helixtrans-71.8-41.5-179.4-52.10000111.3F94 N106 F107 K108 M113F94-T110 HydrophobicContact CD1-CG2 4.26Å; F94-T110 HydrophobicContact CD2-CG2 3.7Å; F94-T110 HydrophobicContact CE1-CG2 4.23Å; F94-T110 HydrophobicContact CE2-CG2 3.7Å; F94-T110 HydrophobicContact CG-CG2 4.01Å; F94-T110 HydrophobicContact CZ-CG2 3.97Å; N106-T110 WeakPolarHBondContact O-CB 3.41Å; N106-T110 PolarHBondContact O-N 2.77Å; N106-T110 PolarHBondContact O-OG1 3.21Å; F107-T110 PolarHBondContact O-N 2.63Å; K108-T110 PolarHBondContact O-N 2.87Å; T110-M113 WeakPolarHBondContact O-CB 3.24Å; T110-M113 PolarHBondContact O-N 3.24Å
111L91.8Very high88Confident0 Ų042.2 Ų42.20%021%0.212CC..Hα-helixtrans-67.5-38.2175.4-73.2173.4000112.8F94 F107 K108 M113 T114 N117 F124 F153 L655F94-L111 HydrophobicContact CE1-CD2 4.28Å; F94-L111 HydrophobicContact CE1-CG 3.96Å; F94-L111 HydrophobicContact CZ-CD2 3.91Å; F94-L111 HydrophobicContact CZ-CG 4.07Å; F107-L111 HydrophobicContact CD1-CD1 3.68Å; F107-L111 HydrophobicContact CE1-CD1 3.22Å; F107-L111 HydrophobicContact CE1-CG 4.43Å; F107-L111 HydrophobicContact CE2-CD1 4.44Å; F107-L111 HydrophobicContact CG-CD1 4.46Å; F107-L111 HydrophobicContact CZ-CD1 3.66Å; F107-L111 WeakPolarHBondContact O-CG 2.99Å; F107-L111 PolarHBondContact O-N 3.25Å; F107-L111 VanDerWaalsContact O-N 3.14Å; K108-L111 PolarHBondContact O-N 3.45Å; K108-L111 VanDerWaalsContact O-N 3.16Å; L111-M113 PolarHBondContact O-N 3.02Å; L111-M113 VanDerWaalsContact O-N 3.14Å; L111-T114 WeakPolarHBondContact O-CB 3.1Å; L111-T114 PolarHBondContact O-N 2.61Å; L111-T114 PolarHBondContact O-OG1 2.82Å; L111-N117 VanDerWaalsContact O-CB 3.31Å; L111-N117 WeakPolarHBondContact O-CB 3.28Å; L111-F124 HydrophobicContact CB-CZ 4.02Å; L111-F124 HydrophobicContact CD1-CE1 3.87Å; L111-F124 HydrophobicContact CD1-CZ 4.05Å; L111-F153 HydrophobicContact CD1-CD2 4.04Å; L111-F153 HydrophobicContact CD1-CE1 4.1Å; L111-F153 HydrophobicContact CD1-CE2 3.47Å; L111-F153 VanDerWaalsContact CD1-CE2 3.47Å; L111-F153 HydrophobicContact CD1-CZ 3.51Å; L111-F153 HydrophobicContact CD2-CD1 4.21Å; L111-F153 HydrophobicContact CD2-CE1 3.57Å; L111-F153 HydrophobicContact CD2-CE2 4.47Å; L111-F153 HydrophobicContact CD2-CZ 3.72Å; L111-F153 HydrophobicContact CG-CE1 4.47Å; L111-F153 HydrophobicContact CG-CZ 4.18Å; L111-L655 HydrophobicContact CD2-CD2 3.76Å
112D90.6Very high87.9Confident64 Ų6441.6 Ų41.634%0.34221%0.208SC..Hα-helixtrans-60.5-21.7176-73.9-21.1000112.9K108 N117K108-D112 WeakPolarHBondContact CE-OD2 3.42Å; K108-D112 WeakPolarHBondContact CG-OD2 3.29Å; K108-D112 WeakPolarHBondContact O-CB 3.31Å; K108-D112 VanDerWaalsContact O-CG 3.31Å; K108-D112 PolarHBondContact O-N 3.39Å; D112-N117 PolarHBondContact OD1-ND2 3.16Å
113M86.3Confident87.7Confident43 Ų4345.5 Ų45.521%0.21223%0.228CC..THydrogen-bonded Turntrans-79.1-19.8174.1-69-178.3139.600114C55 R96 K109 T110 L111 F657 P658C55-M113 HydrophobicContact CB-SD 4.1Å; R96-M113 PolarHBondContact NH1-SD 3.42Å; K109-M113 WeakPolarHBondContact O-CG 3.4Å; K109-M113 PolarHBondContact O-N 3.22Å; T110-M113 WeakPolarHBondContact O-CB 3.24Å; T110-M113 PolarHBondContact O-N 3.24Å; L111-M113 PolarHBondContact O-N 3.02Å; L111-M113 VanDerWaalsContact O-N 3.14Å; M113-F657 HydrophobicContact CB-CD1 4.46Å; M113-F657 HydrophobicContact CB-CE1 4.41Å; M113-P658 WeakPolarHBondContact O-CD 3.22Å
114T86.9Confident87.6Confident5 Ų544.6 Ų44.63%0.03122%0.221CC..SBendtrans-75.1146.4-175.767.80000111.8L111 V116 N117 K118 L655 C656 F657L111-T114 WeakPolarHBondContact O-CB 3.1Å; L111-T114 PolarHBondContact O-N 2.61Å; L111-T114 PolarHBondContact O-OG1 2.82Å; T114-V116 VanDerWaalsContact C-N 3.25Å; T114-V116 PolarHBondContact O-N 2.65Å; T114-N117 PolarHBondContact O-N 2.93Å; T114-K118 PolarHBondContact O-N 3.33Å; T114-L655 HydrophobicContact CG2-CD2 3.98Å; T114-C656 CarbonylContact C-O 3.37Å; T114-C656 WeakPolarHBondContact CA-O 3.22Å; T114-F657 HydrophobicContact CG2-CE1 4.33Å
115L77.2Confident87.4Confident77 Ų7748.8 Ų48.840%0.40325%0.245SC..Hα-helixtrans-60.5-38.8177.9-71.9168.5000111.8N117 K118 E119 C656 P658L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.09Å; L115-K118 WeakPolarHBondContact O-CB 3.17Å; L115-K118 PolarHBondContact O-N 3.35Å; L115-E119 PolarHBondContact O-N 2.84Å; L115-C656 HydrophobicContact CD1-CB 4.37Å; L115-C656 PolarHBondContact N-O 3.41Å; L115-P658 HydrophobicContact CD2-CB 4.08Å; L115-P658 HydrophobicContact CD2-CG 3.76Å; L115-P658 HydrophobicContact CG-CB 4.49Å; L115-P658 HydrophobicContact CG-CG 4.03Å
116V75.1Confident87.4Confident19 Ų1946 Ų4612%0.11523%0.231CC..Hα-helixtrans-59.3-42.4-177.2-175.60000111.3T114 K118 F120 L185 C656T114-V116 VanDerWaalsContact C-N 3.25Å; T114-V116 PolarHBondContact O-N 2.65Å; V116-K118 VanDerWaalsContact C-N 3.32Å; V116-K118 PolarHBondContact O-N 3.5Å; V116-F120 PolarHBondContact O-N 3.23Å; V116-L185 HydrophobicContact CG1-CD2 3.2Å; V116-L185 HydrophobicContact CG1-CG 4.45Å; V116-C656 HydrophobicContact CG2-CB 4.49Å
117N78.3Confident87.4Confident7 Ų751.5 Ų51.54%0.03726%0.26CS..Hα-helixtrans-74.8-20.6179-165.260.1000113.4L111 D112 T114 L115 F120 T121 F122L111-N117 VanDerWaalsContact O-CB 3.31Å; L111-N117 WeakPolarHBondContact O-CB 3.28Å; D112-N117 PolarHBondContact OD1-ND2 3.16Å; T114-N117 PolarHBondContact O-N 2.93Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.09Å; N117-F120 WeakPolarHBondContact CA-O 3.2Å; N117-F120 CarbonylContact O-C 3.47Å; N117-T121 VanDerWaalsContact O-CA 3.25Å; N117-T121 WeakPolarHBondContact O-CA 3.45Å; N117-T121 WeakPolarHBondContact O-CG2 3.34Å; N117-T121 PolarHBondContact O-N 2.97Å; N117-F122 WeakPolarHBondContact OD1-CB 3.28Å; N117-F122 PolarHBondContact OD1-N 3.48Å
118K74.4Confident87.4Confident130 Ų13052.6 Ų52.657%0.56527%0.265SS*.Hα-helixtrans-73.5-34.7174.9-70.5-177.1177.9-177.10112.4T114 L115 V116T114-K118 PolarHBondContact O-N 3.33Å; L115-K118 WeakPolarHBondContact O-CB 3.17Å; L115-K118 PolarHBondContact O-N 3.35Å; V116-K118 VanDerWaalsContact C-N 3.32Å; V116-K118 PolarHBondContact O-N 3.5Å
119E75.7Confident87.4Confident104 Ų10448.8 Ų48.849%0.48625%0.249SC..Hα-helixtrans-80.8-43.5178.6-65.8-171.2129.100111.8L115 Q184L115-E119 PolarHBondContact O-N 2.84Å; E119-Q184 HydrophobicContact CB-CB 4.49Å; E119-Q184 PolarHBondContact OE1-NE2 3.35Å; E119-Q184 WeakPolarHBondContact OE2-CB 3.36Å; E119-Q184 WeakPolarHBondContact OE2-CG 3.06Å
120F83.6Confident87.5Confident7 Ų745.8 Ų45.83%0.03124%0.237CC..SBendtrans-124.6100.1173.4-72.6-82.2000109.2V116 N117 F122 H157 A161 M165 I181 Q184 L185V116-F120 PolarHBondContact O-N 3.23Å; N117-F120 WeakPolarHBondContact CA-O 3.2Å; N117-F120 CarbonylContact O-C 3.47Å; F120-F122 PolarHBondContact O-N 2.79Å; F120-H157 PolarHBondContact O-CE1 2.97Å; F120-H157 PolarHBondContact O-NE2 2.82Å; F120-A161 HydrophobicContact CB-CB 4.32Å; F120-A161 HydrophobicContact CD1-CB 3.72Å; F120-A161 HydrophobicContact CE1-CB 4.15Å; F120-A161 HydrophobicContact CG-CB 4.02Å; F120-M165 HydrophobicContact CE1-CE 3.46Å; F120-M165 VanDerWaalsContact CE1-CE 3.46Å; F120-M165 HydrophobicContact CE1-CG 4.36Å; F120-M165 HydrophobicContact CZ-CE 3.7Å; F120-I181 HydrophobicContact CE1-CG1 3.91Å; F120-I181 HydrophobicContact CE2-CB 4.47Å; F120-I181 HydrophobicContact CE2-CG1 4.34Å; F120-I181 HydrophobicContact CZ-CB 4.16Å; F120-I181 HydrophobicContact CZ-CG1 3.56Å; F120-Q184 HydrophobicContact CD2-CB 4.14Å; F120-Q184 HydrophobicContact CE2-CB 3.77Å; F120-Q184 HydrophobicContact CE2-CG 4.38Å; F120-L185 HydrophobicContact CB-CD2 3.92Å; F120-L185 HydrophobicContact CB-CG 4.48Å; F120-L185 HydrophobicContact CD2-CD1 4.18Å; F120-L185 HydrophobicContact CD2-CD2 3.83Å; F120-L185 HydrophobicContact CD2-CG 3.71Å; F120-L185 HydrophobicContact CE2-CG 4.29Å; F120-L185 HydrophobicContact CG-CD1 4.36Å; F120-L185 HydrophobicContact CG-CD2 4.22Å; F120-L185 HydrophobicContact CG-CG 4.3Å
121T86.2Confident87.6Confident88 Ų8851.9 Ų51.954%0.5427%0.269SS..  trans-65.9122.2-179.353.50000110.7N117 Q164N117-T121 VanDerWaalsContact O-CA 3.25Å; N117-T121 WeakPolarHBondContact O-CA 3.45Å; N117-T121 WeakPolarHBondContact O-CG2 3.34Å; N117-T121 PolarHBondContact O-N 2.97Å; T121-Q164 PolarHBondContact O-NE2 2.86Å
122F91.3Very high87.8Confident8 Ų854 Ų544%0.03528%0.279CS..  trans-71.7127.4172.4-174.2-95.4000110N117 F120 F124 F128 I129 F153 E156 H157 Q160N117-F122 WeakPolarHBondContact OD1-CB 3.28Å; N117-F122 PolarHBondContact OD1-N 3.48Å; F120-F122 PolarHBondContact O-N 2.79Å; F122-F124 HydrophobicContact CB-CE2 4.38Å; F122-F124 AromaticContact CD1-CD1 3.83Å; F122-F124 HydrophobicContact CD1-CD1 3.83Å; F122-F124 HydrophobicContact CD1-CD2 4.08Å; F122-F124 AromaticContact CD1-CE1 3.86Å; F122-F124 HydrophobicContact CD1-CE1 3.86Å; F122-F124 HydrophobicContact CD1-CE2 4.11Å; F122-F124 AromaticContact CD1-CG 3.94Å; F122-F124 HydrophobicContact CD1-CG 3.94Å; F122-F124 AromaticContact CD1-CZ 4Å; F122-F124 HydrophobicContact CD1-CZ 4Å; F122-F124 HydrophobicContact CE1-CD1 4.05Å; F122-F124 HydrophobicContact CE1-CE1 4.31Å; F122-F124 HydrophobicContact CE1-CG 4.37Å; F122-F124 VanDerWaalsContact O-CD2 3.31Å; F122-F124 WeakPolarHBondContact O-CD2 3.46Å; F122-F124 PolarHBondContact O-N 2.84Å; F122-F128 HydrophobicContact CZ-CD1 4.1Å; F122-I129 HydrophobicContact CE1-CD1 4.05Å; F122-I129 HydrophobicContact CE1-CG1 3.88Å; F122-I129 HydrophobicContact CZ-CG1 4.46Å; F122-F153 HydrophobicContact CB-CE2 4.39Å; F122-F153 HydrophobicContact CB-CZ 4.43Å; F122-F153 AromaticContact CD1-CE2 3.85Å; F122-F153 HydrophobicContact CD1-CE2 3.85Å; F122-F153 HydrophobicContact CD2-CD2 4.36Å; F122-F153 AromaticContact CD2-CE2 3.54Å; F122-F153 HydrophobicContact CD2-CE2 3.54Å; F122-F153 HydrophobicContact CD2-CZ 4.06Å; F122-F153 HydrophobicContact CE1-CD2 4.41Å; F122-F153 AromaticContact CE1-CE2 3.92Å; F122-F153 HydrophobicContact CE1-CE2 3.92Å; F122-F153 AromaticContact CE2-CD2 3.98Å; F122-F153 HydrophobicContact CE2-CD2 3.98Å; F122-F153 AromaticContact CE2-CE2 3.61Å; F122-F153 HydrophobicContact CE2-CE2 3.61Å; F122-F153 HydrophobicContact CE2-CZ 4.48Å; F122-F153 AromaticContact CG-CE2 3.66Å; F122-F153 HydrophobicContact CG-CE2 3.66Å; F122-F153 HydrophobicContact CG-CZ 4.14Å; F122-F153 HydrophobicContact CZ-CD2 4.01Å; F122-F153 AromaticContact CZ-CE2 3.8Å; F122-F153 HydrophobicContact CZ-CE2 3.8Å; F122-E156 HydrophobicContact CE2-CB 4.28Å; F122-E156 HydrophobicContact CE2-CG 3.89Å; F122-E156 HydrophobicContact CZ-CG 4.1Å; F122-H157 HydrophobicContact CD2-CB 3.95Å; F122-H157 AromaticContact CD2-CD2 3.88Å; F122-H157 HydrophobicContact CE2-CB 4.33Å; F122-Q160 HydrophobicContact CE2-CG 4.47Å; F122-Q160 VanDerWaalsContact CE2-NE2 3.25Å
123N92.6Very high88Confident81 Ų8151 Ų5143%0.43326%0.263SS..  trans-79.6109.2170.6-177.47.3000109.6D125 C126 Q160N123-D125 VanDerWaalsContact C-N 3.27Å; N123-D125 PolarHBondContact O-N 3.2Å; N123-D125 WeakPolarHBondContact OD1-CA 3.37Å; N123-D125 WeakPolarHBondContact OD1-CB 3.27Å; N123-D125 PolarHBondContact OD1-N 2.84Å; N123-C126 PolarHBondContact O-SG 3.33Å; N123-Q160 PolarHBondContact O-NE2 2.92Å
124F92.8Very high88.3Confident10 Ų1050.3 Ų50.34%0.04426%0.262CS..SBendtrans-75.6-13.8176.7-68.3-86.5000113.6F104 F107 K108 L111 F122 C126 I129F104-F124 HydrophobicContact CE2-CB 4.04Å; F104-F124 AromaticContact CE2-CD1 4Å; F104-F124 HydrophobicContact CE2-CD1 4Å; F104-F124 HydrophobicContact CE2-CG 4.38Å; F104-F124 HydrophobicContact CZ-CB 3.93Å; F104-F124 HydrophobicContact CZ-CD1 4.48Å; F104-F124 HydrophobicContact CZ-CG 4.46Å; F107-F124 HydrophobicContact CD1-CE1 4.25Å; F107-F124 HydrophobicContact CE1-CE1 4.45Å; K108-F124 HydrophobicContact CB-CD1 4.12Å; K108-F124 HydrophobicContact CB-CE1 3.88Å; K108-F124 HydrophobicContact CB-CE2 4.48Å; K108-F124 HydrophobicContact CB-CZ 4.08Å; K108-F124 HydrophobicContact CD-CD2 3.97Å; K108-F124 HydrophobicContact CD-CE2 4.27Å; K108-F124 HydrophobicContact CD-CG 4.11Å; K108-F124 HydrophobicContact CG-CD1 4.23Å; K108-F124 HydrophobicContact CG-CD2 3.94Å; K108-F124 HydrophobicContact CG-CE1 4.04Å; K108-F124 HydrophobicContact CG-CE2 3.74Å; K108-F124 HydrophobicContact CG-CG 4.18Å; K108-F124 HydrophobicContact CG-CZ 3.8Å; L111-F124 HydrophobicContact CB-CZ 4.02Å; L111-F124 HydrophobicContact CD1-CE1 3.87Å; L111-F124 HydrophobicContact CD1-CZ 4.05Å; F122-F124 HydrophobicContact CB-CE2 4.38Å; F122-F124 AromaticContact CD1-CD1 3.83Å; F122-F124 HydrophobicContact CD1-CD1 3.83Å; F122-F124 HydrophobicContact CD1-CD2 4.08Å; F122-F124 AromaticContact CD1-CE1 3.86Å; F122-F124 HydrophobicContact CD1-CE1 3.86Å; F122-F124 HydrophobicContact CD1-CE2 4.11Å; F122-F124 AromaticContact CD1-CG 3.94Å; F122-F124 HydrophobicContact CD1-CG 3.94Å; F122-F124 AromaticContact CD1-CZ 4Å; F122-F124 HydrophobicContact CD1-CZ 4Å; F122-F124 HydrophobicContact CE1-CD1 4.05Å; F122-F124 HydrophobicContact CE1-CE1 4.31Å; F122-F124 HydrophobicContact CE1-CG 4.37Å; F122-F124 VanDerWaalsContact O-CD2 3.31Å; F122-F124 WeakPolarHBondContact O-CD2 3.46Å; F122-F124 PolarHBondContact O-N 2.84Å; F124-C126 VanDerWaalsContact C-N 3.27Å; F124-C126 PolarHBondContact O-N 2.94Å; F124-C126 VanDerWaalsContact O-N 3.16Å; F124-I129 HydrophobicContact CD1-CD1 4.12Å; F124-I129 HydrophobicContact CD1-CG1 4.28Å; F124-I129 VanDerWaalsContact O-CB 3.23Å; F124-I129 WeakPolarHBondContact O-CB 3.32Å; F124-I129 WeakPolarHBondContact O-CG1 3.23Å; F124-I129 WeakPolarHBondContact O-CG2 3.22Å
125D92.4Very high88.4Confident121 Ų12158.4 Ų58.465%0.64730%0.297SS*.SBendtrans-90.965.2175.3-64.4-39.3000110.2N123 R137N123-D125 VanDerWaalsContact C-N 3.27Å; N123-D125 PolarHBondContact O-N 3.2Å; N123-D125 WeakPolarHBondContact OD1-CA 3.37Å; N123-D125 WeakPolarHBondContact OD1-CB 3.27Å; N123-D125 PolarHBondContact OD1-N 2.84Å; D125-R137 IonicContact OD1-NH2 3.51Å
126C92.9Very high89.1Confident19 Ų1960.2 Ų60.213%0.12831%0.307CS..SBendtrans-135.8163.6-178.168.70000111.9N123 F124 F128 I129 N130N123-C126 PolarHBondContact O-SG 3.33Å; F124-C126 VanDerWaalsContact C-N 3.27Å; F124-C126 PolarHBondContact O-N 2.94Å; F124-C126 VanDerWaalsContact O-N 3.16Å; C126-F128 VanDerWaalsContact C-N 3.26Å; C126-F128 PolarHBondContact O-N 3.28Å; C126-I129 PolarHBondContact O-N 3.42Å; C126-N130 PolarHBondContact O-N 3.5Å; C126-N130 PolarHBondContact O-ND2 2.77Å
127D94.1Very high90Very high120 Ų12061.9 Ų61.964%0.64231%0.312SS*.Hα-helixtrans-62.4-33.8-178.5-71.6-29000112.9I129 N130 L131D127-I129 PolarHBondContact O-N 2.9Å; D127-N130 PolarHBondContact O-N 3.31Å; D127-N130 PolarHBondContact OD1-ND2 2.79Å; D127-L131 WeakPolarHBondContact O-CB 3.33Å; D127-L131 VanDerWaalsContact O-CG 3.22Å; D127-L131 WeakPolarHBondContact O-CG 3.47Å; D127-L131 PolarHBondContact O-N 2.95Å
128F94.4Very high90.6Very high24 Ų2465.1 Ų65.111%0.10534%0.335CS..Hα-helixtrans-54.6-50.6173.9176.6-95.7000111.6F122 C126 L131 H132 I149 D152 F153 E156F122-F128 HydrophobicContact CZ-CD1 4.1Å; C126-F128 VanDerWaalsContact C-N 3.26Å; C126-F128 PolarHBondContact O-N 3.28Å; F128-L131 PolarHBondContact O-N 2.71Å; F128-H132 AromaticContact CE2-CD2 3.8Å; F128-H132 AromaticContact CE2-NE2 3.65Å; F128-H132 AromaticContact CZ-CD2 3.89Å; F128-H132 PolarHBondContact O-CD2 2.66Å; F128-H132 PolarHBondContact O-N 2.94Å; F128-I149 HydrophobicContact CZ-CG2 4.22Å; F128-D152 HydrophobicContact CE2-CB 3.84Å; F128-D152 HydrophobicContact CZ-CB 4.31Å; F128-F153 HydrophobicContact CE1-CB 4.18Å; F128-F153 HydrophobicContact CE1-CD2 4.21Å; F128-F153 HydrophobicContact CZ-CB 4.04Å; F128-E156 HydrophobicContact CB-CG 3.8Å; F128-E156 HydrophobicContact CD1-CG 4.29Å; F128-E156 HydrophobicContact CD2-CB 4.18Å; F128-E156 HydrophobicContact CD2-CG 4.25Å; F128-E156 HydrophobicContact CG-CB 4.18Å; F128-E156 HydrophobicContact CG-CG 3.85Å
129I95Very high91.6Very high0 Ų063.9 Ų63.90%033%0.326CS..Hα-helixtrans-67.5-41.9176.7-65.8-59.9000111.2F104 F107 F122 F124 C126 D127 L131 H132 F133F104-I129 HydrophobicContact CD2-CG2 3.77Å; F104-I129 HydrophobicContact CE2-CG2 3.48Å; F104-I129 VanDerWaalsContact CE2-CG2 3.48Å; F104-I129 HydrophobicContact CZ-CG2 4.46Å; F107-I129 HydrophobicContact CD1-CD1 4.43Å; F107-I129 HydrophobicContact CE1-CD1 4.09Å; F122-I129 HydrophobicContact CE1-CD1 4.05Å; F122-I129 HydrophobicContact CE1-CG1 3.88Å; F122-I129 HydrophobicContact CZ-CG1 4.46Å; F124-I129 HydrophobicContact CD1-CD1 4.12Å; F124-I129 HydrophobicContact CD1-CG1 4.28Å; F124-I129 VanDerWaalsContact O-CB 3.23Å; F124-I129 WeakPolarHBondContact O-CB 3.32Å; F124-I129 WeakPolarHBondContact O-CG1 3.23Å; F124-I129 WeakPolarHBondContact O-CG2 3.22Å; C126-I129 PolarHBondContact O-N 3.42Å; D127-I129 PolarHBondContact O-N 2.9Å; I129-L131 VanDerWaalsContact C-N 3.26Å; I129-L131 PolarHBondContact O-N 3.29Å; I129-H132 PolarHBondContact O-N 3.45Å; I129-F133 HydrophobicContact CD1-CD2 4.35Å; I129-F133 HydrophobicContact CD1-CE2 4.5Å; I129-F133 HydrophobicContact CG2-CB 4.41Å; I129-F133 HydrophobicContact CG2-CD2 4.25Å; I129-F133 PolarHBondContact O-N 3.3Å
130N94.2Very high92.5Very high33 Ų3364.1 Ų64.118%0.17633%0.326CS..Hα-helixtrans-58.5-37.1178.8-65.6-30.5000112.4C126 D127 S134 K135 R137C126-N130 PolarHBondContact O-N 3.5Å; C126-N130 PolarHBondContact O-ND2 2.77Å; D127-N130 PolarHBondContact O-N 3.31Å; D127-N130 PolarHBondContact OD1-ND2 2.79Å; N130-S134 CarbonylContact O-C 3.6Å; N130-S134 WeakPolarHBondContact O-CA 3.41Å; N130-S134 PolarHBondContact O-N 2.94Å; N130-S134 VanDerWaalsContact O-N 3.09Å; N130-K135 HydrophobicContact CB-CG 4.24Å; N130-R137 VanDerWaalsContact OD1-CZ 3.25Å; N130-R137 PolarHBondContact OD1-NH1 2.95Å; N130-R137 PolarHBondContact OD1-NH2 3.02Å
131L95Very high93.1Very high129 Ų12963.8 Ų63.868%0.67532%0.324SS*.Hα-helixtrans-74.2-35.5-178.6-72.6169000112.5D127 F128 I129 R139D127-L131 WeakPolarHBondContact O-CB 3.33Å; D127-L131 VanDerWaalsContact O-CG 3.22Å; D127-L131 WeakPolarHBondContact O-CG 3.47Å; D127-L131 PolarHBondContact O-N 2.95Å; F128-L131 PolarHBondContact O-N 2.71Å; I129-L131 VanDerWaalsContact C-N 3.26Å; I129-L131 PolarHBondContact O-N 3.29Å; L131-R139 PolarHBondContact O-NH1 3.16Å
132H94.8Very high93.5Very high44 Ų4464.9 Ų64.920%0.20432%0.323CS..Hα-helixtrans-84.9-47.2179.6-70.3-62.7000112.6F128 I129 R139 I141 I149F128-H132 AromaticContact CE2-CD2 3.8Å; F128-H132 AromaticContact CE2-NE2 3.65Å; F128-H132 AromaticContact CZ-CD2 3.89Å; F128-H132 PolarHBondContact O-CD2 2.66Å; F128-H132 PolarHBondContact O-N 2.94Å; I129-H132 PolarHBondContact O-N 3.45Å; H132-R139 VanDerWaalsContact O-CD 3.25Å; H132-R139 WeakPolarHBondContact O-CD 3.43Å; H132-R139 PolarHBondContact O-NH1 2.67Å; H132-I141 WeakPolarHBondContact O-CD1 3.46Å; H132-I149 HydrophobicContact CB-CD1 4Å; H132-I149 HydrophobicContact CB-CG1 4.38Å; H132-I149 WeakPolarHBondContact ND1-CG1 3.32Å
133F95.2Very high93.7Very high1 Ų166.6 Ų66.60%0.00433%0.33CS..Hα-helixtrans-100.55.8-173.4-71.6-81.3000114.7F104 F107 I129 R137 S138 R139 I141F104-F133 HydrophobicContact CB-CB 4.19Å; F104-F133 HydrophobicContact CB-CD1 3.7Å; F104-F133 HydrophobicContact CB-CE1 4.24Å; F104-F133 HydrophobicContact CB-CG 3.96Å; F104-F133 HydrophobicContact CD2-CB 4.4Å; F104-F133 HydrophobicContact CD2-CD2 4.24Å; F104-F133 HydrophobicContact CD2-CG 4.18Å; F107-F133 HydrophobicContact CB-CE1 4.37Å; F107-F133 HydrophobicContact CB-CE2 4.24Å; F107-F133 HydrophobicContact CB-CZ 3.67Å; F107-F133 AromaticContact CD1-CE2 3.93Å; F107-F133 HydrophobicContact CD1-CE2 3.93Å; F107-F133 HydrophobicContact CD1-CZ 4.19Å; F107-F133 HydrophobicContact CD2-CE2 4.31Å; F107-F133 AromaticContact CD2-CZ 3.96Å; F107-F133 HydrophobicContact CD2-CZ 3.96Å; F107-F133 HydrophobicContact CE1-CE2 4.36Å; F107-F133 AromaticContact CG-CE2 3.91Å; F107-F133 HydrophobicContact CG-CE2 3.91Å; F107-F133 AromaticContact CG-CZ 3.69Å; F107-F133 HydrophobicContact CG-CZ 3.69Å; I129-F133 HydrophobicContact CD1-CD2 4.35Å; I129-F133 HydrophobicContact CD1-CE2 4.5Å; I129-F133 HydrophobicContact CG2-CB 4.41Å; I129-F133 HydrophobicContact CG2-CD2 4.25Å; I129-F133 PolarHBondContact O-N 3.3Å; F133-R137 CarbonylContact O-C 3.29Å; F133-R137 VanDerWaalsContact O-C 3.29Å; F133-R137 WeakPolarHBondContact O-CA 3.15Å; F133-S138 PolarHBondContact O-N 3.32Å; F133-R139 WeakPolarHBondContact CD1-O 3.38Å; F133-R139 PolarHBondContact O-N 3.23Å; F133-I141 HydrophobicContact CD1-CG1 4.02Å; F133-I141 HydrophobicContact CE1-CB 4.4Å; F133-I141 HydrophobicContact CE1-CG1 3.47Å; F133-I141 VanDerWaalsContact CE1-CG1 3.47Å; F133-I141 HydrophobicContact CE2-CG1 4.38Å; F133-I141 HydrophobicContact CZ-CG1 3.68Å
134S91.3Very high93.7Very high30 Ų3068.7 Ų68.721%0.2134%0.341CS..  trans63.1160.1-168.874.20000113.8N130 D136 R137 S138 R139N130-S134 CarbonylContact O-C 3.6Å; N130-S134 WeakPolarHBondContact O-CA 3.41Å; N130-S134 PolarHBondContact O-N 2.94Å; N130-S134 VanDerWaalsContact O-N 3.09Å; S134-D136 VanDerWaalsContact C-N 3.29Å; S134-D136 WeakPolarHBondContact CB-OD1 3.38Å; S134-D136 PolarHBondContact O-N 3.01Å; S134-D136 PolarHBondContact OG-OD1 3.44Å; S134-R137 PolarHBondContact O-N 3.12Å; S134-R137 VanDerWaalsContact O-N 3.12Å; S134-R137 PolarHBondContact O-NH1 2.86Å; S134-S138 PolarHBondContact OG-N 2.9Å; S134-S138 PolarHBondContact OG-OG 2.96Å; S134-R139 PolarHBondContact OG-N 3.07Å
135K90Very high93.8Very high175 Ų17571.5 Ų71.576%0.76135%0.354SS*.THydrogen-bonded Turntrans-63.7-34.6-179-76.2-171.5177.4-1770112.8N130 R137N130-K135 HydrophobicContact CB-CG 4.24Å; K135-R137 VanDerWaalsContact C-N 3.3Å; K135-R137 PolarHBondContact O-NH1 3.32Å
136D92Very high94Very high114 Ų11465.7 Ų65.761%0.6132%0.323SS*.THydrogen-bonded Turntrans-84.71.5176.363.2-38.5000113.4S134 S138S134-D136 VanDerWaalsContact C-N 3.29Å; S134-D136 WeakPolarHBondContact CB-OD1 3.38Å; S134-D136 PolarHBondContact O-N 3.01Å; S134-D136 PolarHBondContact OG-OD1 3.44Å; D136-S138 PolarHBondContact O-N 3.34Å; D136-S138 PolarHBondContact OD1-OG 2.69Å; D136-S138 WeakPolarHBondContact OD2-CB 3.45Å; D136-S138 PolarHBondContact OD2-OG 3.1Å
137R93.3Very high94Very high55 Ų5566.7 Ų66.721%0.20833%0.329CS..SBendtrans62.520.2176.8-50.1-64.7-179.4-110.2-0.2114.3F104 D125 N130 F133 S134 K135F104-R137 HydrophobicContact CB-CB 4.08Å; F104-R137 HydrophobicContact CD1-CB 3.95Å; F104-R137 HydrophobicContact CD1-CG 3.85Å; F104-R137 HydrophobicContact CE1-CG 4.16Å; F104-R137 HydrophobicContact CG-CB 4.12Å; F104-R137 HydrophobicContact CG-CG 4.17Å; D125-R137 IonicContact OD1-NH2 3.51Å; N130-R137 VanDerWaalsContact OD1-CZ 3.25Å; N130-R137 PolarHBondContact OD1-NH1 2.95Å; N130-R137 PolarHBondContact OD1-NH2 3.02Å; F133-R137 CarbonylContact O-C 3.29Å; F133-R137 VanDerWaalsContact O-C 3.29Å; F133-R137 WeakPolarHBondContact O-CA 3.15Å; S134-R137 PolarHBondContact O-N 3.12Å; S134-R137 VanDerWaalsContact O-N 3.12Å; S134-R137 PolarHBondContact O-NH1 2.86Å; K135-R137 VanDerWaalsContact C-N 3.3Å; K135-R137 PolarHBondContact O-NH1 3.32Å
138S91.9Very high93.9Very high75 Ų7566 Ų6652%0.52432%0.322SS..  trans-87.8-24.9-173.5630000113.4F133 S134 D136 K140F133-S138 PolarHBondContact O-N 3.32Å; S134-S138 PolarHBondContact OG-N 2.9Å; S134-S138 PolarHBondContact OG-OG 2.96Å; D136-S138 PolarHBondContact O-N 3.34Å; D136-S138 PolarHBondContact OD1-OG 2.69Å; D136-S138 WeakPolarHBondContact OD2-CB 3.45Å; D136-S138 PolarHBondContact OD2-OG 3.1Å; S138-K140 PolarHBondContact O-N 3.39Å
139R94.5Very high93.9Very high103 Ų10365 Ų6539%0.38932%0.317SS..  trans-67.7131.6179.6-177.9169171.5-157.48.7110.3L131 H132 F133 S134 E145L131-R139 PolarHBondContact O-NH1 3.16Å; H132-R139 VanDerWaalsContact O-CD 3.25Å; H132-R139 WeakPolarHBondContact O-CD 3.43Å; H132-R139 PolarHBondContact O-NH1 2.67Å; F133-R139 WeakPolarHBondContact CD1-O 3.38Å; F133-R139 PolarHBondContact O-N 3.23Å; S134-R139 PolarHBondContact OG-N 3.07Å; R139-E145 IonicContact CZ-OE1 3.76Å; R139-E145 IonicContact NH2-OE1 2.67Å; R139-E145 PolarHBondContact NH2-OE1 3.02Å; R139-E145 IonicContact NH2-OE2 3.92Å
140K95.1Very high93.8Very high110 Ų11065 Ų6548%0.47832%0.317SS..  trans-100.4147.2173-55.6-175-177.8-178.60109.4V101 I102 S138V101-K140 HydrophobicContact CB-CB 4.05Å; V101-K140 HydrophobicContact CB-CD 4.45Å; V101-K140 HydrophobicContact CG2-CB 4.16Å; V101-K140 HydrophobicContact CG2-CD 3.64Å; V101-K140 HydrophobicContact CG2-CG 4.5Å; I102-K140 WeakPolarHBondContact O-CA 3.46Å; S138-K140 PolarHBondContact O-N 3.39Å
141I95.9Very high93.4Very high0 Ų067.7 Ų67.70%033%0.328CS..BIsolated β-bridgetrans-105.1129.1-174.2-62-56.5000109.8V101 I102 H132 F133 E145 F146 I149V101-I141 WeakPolarHBondContact CA-O 3.29Å; I102-I141 HydrophobicContact CB-CB 4.38Å; I102-I141 PolarHBondContact N-O 3.22Å; I102-I141 PolarHBondContact O-N 3.03Å; H132-I141 WeakPolarHBondContact O-CD1 3.46Å; F133-I141 HydrophobicContact CD1-CG1 4.02Å; F133-I141 HydrophobicContact CE1-CB 4.4Å; F133-I141 HydrophobicContact CE1-CG1 3.47Å; F133-I141 VanDerWaalsContact CE1-CG1 3.47Å; F133-I141 HydrophobicContact CE2-CG1 4.38Å; F133-I141 HydrophobicContact CZ-CG1 3.68Å; I141-E145 HydrophobicContact CG2-CB 3.87Å; I141-F146 HydrophobicContact CG2-CB 3.85Å; I141-I149 HydrophobicContact CB-CD1 4.42Å; I141-I149 HydrophobicContact CD1-CD1 3.7Å; I141-I149 HydrophobicContact CG1-CD1 3.91Å; I141-I149 HydrophobicContact CG2-CD1 3.62Å
142H95.5Very high93.2Very high110 Ų11063.9 Ų63.951%0.50931%0.309SS..  trans-87.6166.5172.8-69.3-86.6000111.5V101 D144 E145 F146V101-H142 WeakPolarHBondContact CG1-CE1 3.21Å; V101-H142 WeakPolarHBondContact CG1-ND1 3.39Å; H142-D144 PolarHBondContact O-N 3.26Å; H142-E145 PolarHBondContact N-OE2 3.13Å; H142-E145 PolarHBondContact O-N 2.88Å; H142-F146 WeakPolarHBondContact O-CB 3.39Å; H142-F146 PolarHBondContact O-N 3.17Å
143Y94.8Very high93.1Very high45 Ų4562.2 Ų62.218%0.17630%0.301CS..Hα-helixtrans-50-51-177.8173.1-112.1000113.8D84 Y87 L88 F91 E145 F146 T147D84-Y143 WeakPolarHBondContact CB-OH 3Å; D84-Y143 PolarHBondContact OD2-OH 3.37Å; Y87-Y143 WeakPolarHBondContact CB-OH 3.46Å; L88-Y143 HydrophobicContact CD2-CD1 4.36Å; L88-Y143 HydrophobicContact CD2-CD2 3.91Å; L88-Y143 HydrophobicContact CD2-CE1 4Å; L88-Y143 HydrophobicContact CD2-CE2 3.55Å; L88-Y143 HydrophobicContact CD2-CG 4.3Å; L88-Y143 HydrophobicContact CG-CE2 3.95Å; F91-Y143 HydrophobicContact CB-CD2 3.8Å; F91-Y143 HydrophobicContact CB-CE2 4.22Å; F91-Y143 HydrophobicContact CD1-CD2 4.43Å; F91-Y143 AromaticContact CD2-CD2 3.95Å; F91-Y143 HydrophobicContact CD2-CD2 3.95Å; F91-Y143 VanDerWaalsContact CE2-CA 3.49Å; F91-Y143 AromaticContact CG-CD2 3.8Å; F91-Y143 HydrophobicContact CG-CD2 3.8Å; Y143-E145 VanDerWaalsContact C-N 3.33Å; Y143-E145 PolarHBondContact O-N 2.82Å; Y143-F146 WeakPolarHBondContact O-CB 3.4Å; Y143-F146 PolarHBondContact O-N 2.9Å; Y143-F146 VanDerWaalsContact O-N 3.1Å; Y143-T147 HydrophobicContact CD2-CG2 4.27Å; Y143-T147 HydrophobicContact CE1-CG2 4.3Å; Y143-T147 HydrophobicContact CE2-CG2 3.79Å; Y143-T147 WeakPolarHBondContact O-CG2 3.45Å; Y143-T147 PolarHBondContact O-N 3.43Å; Y143-T147 VanDerWaalsContact O-N 3.08Å
144D93.7Very high92.7Very high125 Ų12563.1 Ų63.167%0.66831%0.306SS*.Hα-helixtrans-59.6-44.6-176.6-61.8-36.7000111.8H142 T147H142-D144 PolarHBondContact O-N 3.26Å; D144-T147 PolarHBondContact O-N 3.39Å; D144-T147 PolarHBondContact O-OG1 2.65Å
145E94.5Very high92.6Very high68 Ų6864.4 Ų64.432%0.31831%0.31SS..Hα-helixtrans-66.1-39.7176.5-63.7-179.2141.300111.6R139 I141 H142 Y143 T147 Q148 I149R139-E145 IonicContact CZ-OE1 3.76Å; R139-E145 IonicContact NH2-OE1 2.67Å; R139-E145 PolarHBondContact NH2-OE1 3.02Å; R139-E145 IonicContact NH2-OE2 3.92Å; I141-E145 HydrophobicContact CG2-CB 3.87Å; H142-E145 PolarHBondContact N-OE2 3.13Å; H142-E145 PolarHBondContact O-N 2.88Å; Y143-E145 VanDerWaalsContact C-N 3.33Å; Y143-E145 PolarHBondContact O-N 2.82Å; E145-T147 VanDerWaalsContact C-N 3.31Å; E145-T147 PolarHBondContact O-N 3.1Å; E145-Q148 PolarHBondContact O-N 3.37Å; E145-I149 HydrophobicContact CB-CD1 4.39Å; E145-I149 VanDerWaalsContact O-CG1 3.3Å; E145-I149 WeakPolarHBondContact O-CG1 3.49Å; E145-I149 PolarHBondContact O-N 3.06Å
146F95.5Very high92.8Very high0 Ų058 Ų580%028%0.283CS..Hα-helixtrans-59.5-40.6178.9174.1-102.6000112.2T90 F91 F94 I102 F107 I141 H142 Y143 Q148 I149 I150T90-F146 HydrophobicContact CG2-CE1 3.95Å; T90-F146 HydrophobicContact CG2-CZ 3.87Å; F91-F146 HydrophobicContact CB-CD1 3.93Å; F91-F146 HydrophobicContact CB-CE1 4.04Å; F91-F146 HydrophobicContact CD2-CB 3.82Å; F91-F146 AromaticContact CD2-CD1 3.73Å; F91-F146 HydrophobicContact CD2-CD1 3.73Å; F91-F146 HydrophobicContact CD2-CE1 4.47Å; F91-F146 AromaticContact CD2-CG 3.8Å; F91-F146 HydrophobicContact CD2-CG 3.8Å; F91-F146 HydrophobicContact CE2-CB 4.18Å; F91-F146 HydrophobicContact CG-CD1 4.35Å; F94-F146 HydrophobicContact CB-CE2 4.17Å; F94-F146 HydrophobicContact CB-CZ 4.34Å; F94-F146 AromaticContact CD1-CE2 3.8Å; F94-F146 HydrophobicContact CD1-CE2 3.8Å; F94-F146 HydrophobicContact CD1-CZ 4.31Å; F94-F146 HydrophobicContact CD2-CE2 4.06Å; F94-F146 AromaticContact CD2-CZ 3.72Å; F94-F146 HydrophobicContact CD2-CZ 3.72Å; F94-F146 HydrophobicContact CE1-CE2 4.18Å; F94-F146 HydrophobicContact CE2-CE2 4.39Å; F94-F146 HydrophobicContact CE2-CZ 4.02Å; F94-F146 AromaticContact CG-CE2 3.75Å; F94-F146 HydrophobicContact CG-CE2 3.75Å; F94-F146 AromaticContact CG-CZ 3.88Å; F94-F146 HydrophobicContact CG-CZ 3.88Å; F94-F146 HydrophobicContact CZ-CE2 4.45Å; F94-F146 HydrophobicContact CZ-CZ 4.46Å; I102-F146 HydrophobicContact CD1-CB 4.14Å; I102-F146 HydrophobicContact CD1-CD1 4.36Å; I102-F146 HydrophobicContact CD1-CD2 3.29Å; I102-F146 HydrophobicContact CD1-CE2 3.67Å; I102-F146 HydrophobicContact CD1-CG 3.67Å; I102-F146 HydrophobicContact CD1-CZ 4.34Å; F107-F146 HydrophobicContact CD2-CE2 4.37Å; F107-F146 HydrophobicContact CE2-CE2 4.15Å; I141-F146 HydrophobicContact CG2-CB 3.85Å; H142-F146 WeakPolarHBondContact O-CB 3.39Å; H142-F146 PolarHBondContact O-N 3.17Å; Y143-F146 WeakPolarHBondContact O-CB 3.4Å; Y143-F146 PolarHBondContact O-N 2.9Å; Y143-F146 VanDerWaalsContact O-N 3.1Å; F146-Q148 PolarHBondContact O-N 3.16Å; F146-I149 PolarHBondContact O-N 3.26Å; F146-I149 VanDerWaalsContact O-N 3.15Å; F146-I150 HydrophobicContact CE1-CB 4.39Å; F146-I150 HydrophobicContact CE1-CG2 4.37Å; F146-I150 HydrophobicContact CE2-CB 4.3Å; F146-I150 HydrophobicContact CE2-CD1 4.49Å; F146-I150 HydrophobicContact CZ-CB 4.1Å; F146-I150 HydrophobicContact CZ-CD1 4.35Å; F146-I150 HydrophobicContact CZ-CG1 4.21Å; F146-I150 WeakPolarHBondContact O-CG2 2.99Å; F146-I150 PolarHBondContact O-N 3.47Å
147T92.9Very high92.8Very high40 Ų4052.9 Ų52.925%0.24526%0.256CS..Hα-helixtrans-58.4-35.518068.40000112.6Y87 Y143 D144 E145 I150Y87-T147 HydrophobicContact CD1-CG2 4.06Å; Y87-T147 HydrophobicContact CG-CG2 4.12Å; Y143-T147 HydrophobicContact CD2-CG2 4.27Å; Y143-T147 HydrophobicContact CE1-CG2 4.3Å; Y143-T147 HydrophobicContact CE2-CG2 3.79Å; Y143-T147 WeakPolarHBondContact O-CG2 3.45Å; Y143-T147 PolarHBondContact O-N 3.43Å; Y143-T147 VanDerWaalsContact O-N 3.08Å; D144-T147 PolarHBondContact O-N 3.39Å; D144-T147 PolarHBondContact O-OG1 2.65Å; E145-T147 VanDerWaalsContact C-N 3.31Å; E145-T147 PolarHBondContact O-N 3.1Å; T147-I150 WeakPolarHBondContact O-CG2 3.37Å
148Q92.3Very high92.7Very high105 Ų10550.3 Ų50.349%0.49125%0.246SC..Hα-helixtrans-76.8-44.7175.2-17260.241.400111.4E145 F146 I150 H151 D152E145-Q148 PolarHBondContact O-N 3.37Å; F146-Q148 PolarHBondContact O-N 3.16Å; Q148-I150 VanDerWaalsContact C-N 3.34Å; Q148-I150 PolarHBondContact O-N 2.89Å; Q148-H151 WeakPolarHBondContact O-CB 3.47Å; Q148-H151 PolarHBondContact O-N 3.44Å; Q148-D152 PolarHBondContact NE2-OD1 3.24Å; Q148-D152 VanDerWaalsContact NE2-OD1 3.16Å; Q148-D152 PolarHBondContact NE2-OD2 2.98Å; Q148-D152 PolarHBondContact O-N 3.37Å
149I94.2Very high92.8Very high3 Ų348.5 Ų48.52%0.01523%0.23CC..Hα-helixtrans-59.4-43.7-178.9-69.8163.6000111.6F107 F128 H132 I141 E145 F146 H151 D152 F153F107-I149 HydrophobicContact CE2-CG2 3.96Å; F107-I149 HydrophobicContact CZ-CG2 3.95Å; F128-I149 HydrophobicContact CZ-CG2 4.22Å; H132-I149 HydrophobicContact CB-CD1 4Å; H132-I149 HydrophobicContact CB-CG1 4.38Å; H132-I149 WeakPolarHBondContact ND1-CG1 3.32Å; I141-I149 HydrophobicContact CB-CD1 4.42Å; I141-I149 HydrophobicContact CD1-CD1 3.7Å; I141-I149 HydrophobicContact CG1-CD1 3.91Å; I141-I149 HydrophobicContact CG2-CD1 3.62Å; E145-I149 HydrophobicContact CB-CD1 4.39Å; E145-I149 VanDerWaalsContact O-CG1 3.3Å; E145-I149 WeakPolarHBondContact O-CG1 3.49Å; E145-I149 PolarHBondContact O-N 3.06Å; F146-I149 PolarHBondContact O-N 3.26Å; F146-I149 VanDerWaalsContact O-N 3.15Å; I149-H151 VanDerWaalsContact C-N 3.29Å; I149-H151 PolarHBondContact O-N 2.92Å; I149-D152 PolarHBondContact O-N 3.29Å; I149-F153 WeakPolarHBondContact O-CB 3.31Å; I149-F153 PolarHBondContact O-N 3.49Å
150I92.7Very high92.8Very high0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-68.8-31.3-177.4-163.460.7000112.3Y87 F94 F146 T147 Q148 N154 L653 L655Y87-I150 HydrophobicContact CD1-CG2 4.36Å; Y87-I150 HydrophobicContact CE1-CG2 4.28Å; F94-I150 HydrophobicContact CE2-CD1 4.47Å; F94-I150 HydrophobicContact CZ-CD1 3.99Å; F146-I150 HydrophobicContact CE1-CB 4.39Å; F146-I150 HydrophobicContact CE1-CG2 4.37Å; F146-I150 HydrophobicContact CE2-CB 4.3Å; F146-I150 HydrophobicContact CE2-CD1 4.49Å; F146-I150 HydrophobicContact CZ-CB 4.1Å; F146-I150 HydrophobicContact CZ-CD1 4.35Å; F146-I150 HydrophobicContact CZ-CG1 4.21Å; F146-I150 WeakPolarHBondContact O-CG2 2.99Å; F146-I150 PolarHBondContact O-N 3.47Å; T147-I150 WeakPolarHBondContact O-CG2 3.37Å; Q148-I150 VanDerWaalsContact C-N 3.34Å; Q148-I150 PolarHBondContact O-N 2.89Å; I150-N154 PolarHBondContact O-ND2 3.27Å; I150-L653 HydrophobicContact CG2-CD2 4.39Å; I150-L655 HydrophobicContact CD1-CD1 4.18Å; I150-L655 HydrophobicContact CD1-CD2 4.32Å; I150-L655 HydrophobicContact CG1-CD1 4.4Å
151H86.7Confident92.7Very high89 Ų8939 Ų3941%0.41219%0.192SC..Hα-helixtrans-67.7-48173.1-178.6-85.2000110.6Q148 I149 N154Q148-H151 WeakPolarHBondContact O-CB 3.47Å; Q148-H151 PolarHBondContact O-N 3.44Å; I149-H151 VanDerWaalsContact C-N 3.29Å; I149-H151 PolarHBondContact O-N 2.92Å; H151-N154 PolarHBondContact O-N 3.33Å
152D91.3Very high92.7Very high50 Ų5039.3 Ų39.327%0.26719%0.193SC..Hα-helixtrans-73.1-31.3-176.6-63.4-19.7000112.5F128 Q148 I149 N154 N155 E156F128-D152 HydrophobicContact CE2-CB 3.84Å; F128-D152 HydrophobicContact CZ-CB 4.31Å; Q148-D152 PolarHBondContact NE2-OD1 3.24Å; Q148-D152 VanDerWaalsContact NE2-OD1 3.16Å; Q148-D152 PolarHBondContact NE2-OD2 2.98Å; Q148-D152 PolarHBondContact O-N 3.37Å; I149-D152 PolarHBondContact O-N 3.29Å; D152-N154 VanDerWaalsContact C-N 3.26Å; D152-N154 PolarHBondContact O-N 3.11Å; D152-N155 WeakPolarHBondContact O-CB 3.02Å; D152-N155 PolarHBondContact O-N 3.5Å; D152-E156 PolarHBondContact O-N 2.9Å
153F92.3Very high92.6Very high8 Ų840.4 Ų40.44%0.03520%0.197CC..Hα-helixtrans-54.6-42.1174.1171.4-97.1000112F107 L111 F122 F128 I149 N155 E156 H157F107-F153 HydrophobicContact CE1-CD2 4.33Å; F107-F153 HydrophobicContact CZ-CD2 4.26Å; F107-F153 HydrophobicContact CZ-CG 4.48Å; L111-F153 HydrophobicContact CD1-CD2 4.04Å; L111-F153 HydrophobicContact CD1-CE1 4.1Å; L111-F153 HydrophobicContact CD1-CE2 3.47Å; L111-F153 VanDerWaalsContact CD1-CE2 3.47Å; L111-F153 HydrophobicContact CD1-CZ 3.51Å; L111-F153 HydrophobicContact CD2-CD1 4.21Å; L111-F153 HydrophobicContact CD2-CE1 3.57Å; L111-F153 HydrophobicContact CD2-CE2 4.47Å; L111-F153 HydrophobicContact CD2-CZ 3.72Å; L111-F153 HydrophobicContact CG-CE1 4.47Å; L111-F153 HydrophobicContact CG-CZ 4.18Å; F122-F153 HydrophobicContact CB-CE2 4.39Å; F122-F153 HydrophobicContact CB-CZ 4.43Å; F122-F153 AromaticContact CD1-CE2 3.85Å; F122-F153 HydrophobicContact CD1-CE2 3.85Å; F122-F153 HydrophobicContact CD2-CD2 4.36Å; F122-F153 AromaticContact CD2-CE2 3.54Å; F122-F153 HydrophobicContact CD2-CE2 3.54Å; F122-F153 HydrophobicContact CD2-CZ 4.06Å; F122-F153 HydrophobicContact CE1-CD2 4.41Å; F122-F153 AromaticContact CE1-CE2 3.92Å; F122-F153 HydrophobicContact CE1-CE2 3.92Å; F122-F153 AromaticContact CE2-CD2 3.98Å; F122-F153 HydrophobicContact CE2-CD2 3.98Å; F122-F153 AromaticContact CE2-CE2 3.61Å; F122-F153 HydrophobicContact CE2-CE2 3.61Å; F122-F153 HydrophobicContact CE2-CZ 4.48Å; F122-F153 AromaticContact CG-CE2 3.66Å; F122-F153 HydrophobicContact CG-CE2 3.66Å; F122-F153 HydrophobicContact CG-CZ 4.14Å; F122-F153 HydrophobicContact CZ-CD2 4.01Å; F122-F153 AromaticContact CZ-CE2 3.8Å; F122-F153 HydrophobicContact CZ-CE2 3.8Å; F128-F153 HydrophobicContact CE1-CB 4.18Å; F128-F153 HydrophobicContact CE1-CD2 4.21Å; F128-F153 HydrophobicContact CZ-CB 4.04Å; I149-F153 WeakPolarHBondContact O-CB 3.31Å; I149-F153 PolarHBondContact O-N 3.49Å; F153-N155 PolarHBondContact O-N 3.5Å; F153-E156 PolarHBondContact O-N 3.37Å; F153-H157 HydrophobicContact CE1-CB 4.4Å; F153-H157 HydrophobicContact CZ-CB 4.3Å; F153-H157 WeakPolarHBondContact O-CB 3.2Å; F153-H157 PolarHBondContact O-N 3.45Å
154N87.2Confident92.4Very high21 Ų2141.9 Ų41.911%0.11221%0.205CC..Hα-helixtrans-60.3-32.2178.8-88.9-75.4000112.7I150 H151 D152 K186 R188 L653I150-N154 PolarHBondContact O-ND2 3.27Å; H151-N154 PolarHBondContact O-N 3.33Å; D152-N154 VanDerWaalsContact C-N 3.26Å; D152-N154 PolarHBondContact O-N 3.11Å; N154-K186 PolarHBondContact O-NZ 3.22Å; N154-R188 PolarHBondContact OD1-NH2 2.98Å; N154-L653 PolarHBondContact ND2-O 3.38Å; N154-L653 PolarHBondContact OD1-O 3.44Å
155N89.1Confident92.3Very high56 Ų5638.3 Ų38.330%0.29919%0.185SC..Hα-helixtrans-79.8-44.5177-69.3-26.4000110.5D152 F153 H157 A158 I159D152-N155 WeakPolarHBondContact O-CB 3.02Å; D152-N155 PolarHBondContact O-N 3.5Å; F153-N155 PolarHBondContact O-N 3.5Å; N155-H157 VanDerWaalsContact C-N 3.31Å; N155-H157 PolarHBondContact O-N 2.96Å; N155-A158 WeakPolarHBondContact O-CB 3.29Å; N155-A158 PolarHBondContact O-N 2.96Å; N155-A158 VanDerWaalsContact O-N 3.17Å; N155-I159 WeakPolarHBondContact O-CG1 3.31Å; N155-I159 PolarHBondContact O-N 2.97Å
156E93.1Very high92.2Very high41 Ų4135.9 Ų35.919%0.19217%0.174CC..Hα-helixtrans-61.2-40.3177.7-17359.3-152.400111.9F122 F128 D152 F153 A158 I159 Q160F122-E156 HydrophobicContact CE2-CB 4.28Å; F122-E156 HydrophobicContact CE2-CG 3.89Å; F122-E156 HydrophobicContact CZ-CG 4.1Å; F128-E156 HydrophobicContact CB-CG 3.8Å; F128-E156 HydrophobicContact CD1-CG 4.29Å; F128-E156 HydrophobicContact CD2-CB 4.18Å; F128-E156 HydrophobicContact CD2-CG 4.25Å; F128-E156 HydrophobicContact CG-CB 4.18Å; F128-E156 HydrophobicContact CG-CG 3.85Å; D152-E156 PolarHBondContact O-N 2.9Å; F153-E156 PolarHBondContact O-N 3.37Å; E156-A158 VanDerWaalsContact C-N 3.31Å; E156-A158 PolarHBondContact O-N 2.87Å; E156-I159 WeakPolarHBondContact O-CB 3.46Å; E156-I159 PolarHBondContact O-N 3.32Å; E156-I159 VanDerWaalsContact O-N 3.11Å; E156-Q160 WeakPolarHBondContact O-CG 3.17Å; E156-Q160 PolarHBondContact O-N 3.46Å
157H91.9Very high91.9Very high7 Ų743.5 Ų43.53%0.03221%0.21CC..Hα-helixtrans-61.9-40.3176.8-168.4-172.6000112F120 F122 F153 N155 I159 Q160 A161F120-H157 PolarHBondContact O-CE1 2.97Å; F120-H157 PolarHBondContact O-NE2 2.82Å; F122-H157 HydrophobicContact CD2-CB 3.95Å; F122-H157 AromaticContact CD2-CD2 3.88Å; F122-H157 HydrophobicContact CE2-CB 4.33Å; F153-H157 HydrophobicContact CE1-CB 4.4Å; F153-H157 HydrophobicContact CZ-CB 4.3Å; F153-H157 WeakPolarHBondContact O-CB 3.2Å; F153-H157 PolarHBondContact O-N 3.45Å; N155-H157 VanDerWaalsContact C-N 3.31Å; N155-H157 PolarHBondContact O-N 2.96Å; H157-I159 VanDerWaalsContact C-N 3.32Å; H157-I159 PolarHBondContact O-N 2.89Å; H157-Q160 PolarHBondContact O-N 3.4Å; H157-A161 WeakPolarHBondContact O-CB 3.25Å; H157-A161 PolarHBondContact O-N 3.33Å
158A92.3Very high91.7Very high1 Ų147.4 Ų47.41%0.00823%0.23CC..Hα-helixtrans-63.5-38.2174.300000112N155 E156 F162 Y217 I221N155-A158 WeakPolarHBondContact O-CB 3.29Å; N155-A158 PolarHBondContact O-N 2.96Å; N155-A158 VanDerWaalsContact O-N 3.17Å; E156-A158 VanDerWaalsContact C-N 3.31Å; E156-A158 PolarHBondContact O-N 2.87Å; A158-F162 PolarHBondContact O-N 3.48Å; A158-Y217 VanDerWaalsContact C-OH 3.31Å; A158-Y217 WeakPolarHBondContact CA-OH 3.19Å; A158-Y217 HydrophobicContact CB-CE1 4.46Å; A158-Y217 WeakPolarHBondContact CB-OH 3.26Å; A158-Y217 WeakPolarHBondContact O-CE1 3.24Å; A158-Y217 PolarHBondContact O-OH 3.48Å; A158-I221 HydrophobicContact CB-CD1 3.9Å
159I94.3Very high91.6Very high36 Ų3651.3 Ų51.319%0.18525%0.245CC..Hα-helixtrans-66.3-45.1176.3-64.9170.7000110.7N155 E156 H157 A161 F162 K163 F214 M218N155-I159 WeakPolarHBondContact O-CG1 3.31Å; N155-I159 PolarHBondContact O-N 2.97Å; E156-I159 WeakPolarHBondContact O-CB 3.46Å; E156-I159 PolarHBondContact O-N 3.32Å; E156-I159 VanDerWaalsContact O-N 3.11Å; H157-I159 VanDerWaalsContact C-N 3.32Å; H157-I159 PolarHBondContact O-N 2.89Å; I159-A161 VanDerWaalsContact C-N 3.35Å; I159-A161 PolarHBondContact O-N 2.96Å; I159-F162 PolarHBondContact O-N 2.84Å; I159-K163 HydrophobicContact CG2-CD 4.3Å; I159-K163 WeakPolarHBondContact O-CG 3.08Å; I159-K163 PolarHBondContact O-N 3.15Å; I159-F214 HydrophobicContact CG1-CE2 4.33Å; I159-F214 HydrophobicContact CG1-CZ 4.03Å; I159-F214 HydrophobicContact CG2-CE2 4.46Å; I159-F214 HydrophobicContact CG2-CZ 4.35Å; I159-M218 HydrophobicContact CG1-SD 4.19Å
160Q94.3Very high91.4Very high13 Ų1354.8 Ų54.86%0.06127%0.266CS..Hα-helixtrans-64.2-39.6179-69.5-169.318.600112.3F122 N123 E156 H157 F162 K163 Q164F122-Q160 HydrophobicContact CE2-CG 4.47Å; F122-Q160 VanDerWaalsContact CE2-NE2 3.25Å; N123-Q160 PolarHBondContact O-NE2 2.92Å; E156-Q160 WeakPolarHBondContact O-CG 3.17Å; E156-Q160 PolarHBondContact O-N 3.46Å; H157-Q160 PolarHBondContact O-N 3.4Å; Q160-F162 VanDerWaalsContact C-N 3.33Å; Q160-F162 PolarHBondContact O-N 2.82Å; Q160-K163 WeakPolarHBondContact O-CB 3.24Å; Q160-K163 PolarHBondContact O-N 2.81Å; Q160-Q164 WeakPolarHBondContact O-CG 3.06Å; Q160-Q164 PolarHBondContact O-N 3.45Å
161A93.2Very high91.4Very high1 Ų156.3 Ų56.31%0.00828%0.282CS..Hα-helixtrans-64.5-37.6176.300000112.8F120 H157 I159 Q164 M165 I181 L185F120-A161 HydrophobicContact CB-CB 4.32Å; F120-A161 HydrophobicContact CD1-CB 3.72Å; F120-A161 HydrophobicContact CE1-CB 4.15Å; F120-A161 HydrophobicContact CG-CB 4.02Å; H157-A161 WeakPolarHBondContact O-CB 3.25Å; H157-A161 PolarHBondContact O-N 3.33Å; I159-A161 VanDerWaalsContact C-N 3.35Å; I159-A161 PolarHBondContact O-N 2.96Å; A161-Q164 PolarHBondContact O-N 3.44Å; A161-M165 PolarHBondContact O-N 2.97Å; A161-I181 HydrophobicContact CB-CG2 4.07Å; A161-L185 HydrophobicContact CB-CD1 3.34Å
162F94.7Very high91.6Very high6 Ų653.4 Ų53.43%0.02627%0.271CS..Hα-helixtrans-60.6-47.4171.1-173.8-80.8000111.1A158 I159 Q160 Q164 M165 D166 I173 F214 Y217A158-F162 PolarHBondContact O-N 3.48Å; I159-F162 PolarHBondContact O-N 2.84Å; Q160-F162 VanDerWaalsContact C-N 3.33Å; Q160-F162 PolarHBondContact O-N 2.82Å; F162-Q164 VanDerWaalsContact C-N 3.27Å; F162-Q164 PolarHBondContact O-N 2.94Å; F162-M165 PolarHBondContact O-N 3.39Å; F162-M165 VanDerWaalsContact O-N 3.11Å; F162-D166 HydrophobicContact CD1-CB 4.25Å; F162-D166 HydrophobicContact CE1-CB 3.95Å; F162-D166 PolarHBondContact O-N 3.42Å; F162-I173 HydrophobicContact CD2-CD1 3.69Å; F162-I173 HydrophobicContact CD2-CG1 4.21Å; F162-I173 HydrophobicContact CD2-CG2 4.16Å; F162-I173 HydrophobicContact CE1-CG2 4.21Å; F162-I173 HydrophobicContact CE2-CB 4.32Å; F162-I173 HydrophobicContact CE2-CD1 3.68Å; F162-I173 HydrophobicContact CE2-CG1 3.68Å; F162-I173 HydrophobicContact CE2-CG2 3.84Å; F162-I173 HydrophobicContact CG-CG2 4.49Å; F162-I173 HydrophobicContact CZ-CG1 4.32Å; F162-I173 HydrophobicContact CZ-CG2 3.85Å; F162-F214 HydrophobicContact CB-CD2 4.25Å; F162-F214 HydrophobicContact CB-CE2 4.34Å; F162-F214 HydrophobicContact CD1-CB 4.45Å; F162-F214 AromaticContact CD1-CD2 3.6Å; F162-F214 HydrophobicContact CD1-CD2 3.6Å; F162-F214 HydrophobicContact CD1-CE2 4.34Å; F162-F214 HydrophobicContact CD1-CG 4.42Å; F162-F214 AromaticContact CD2-CD2 3.9Å; F162-F214 HydrophobicContact CD2-CD2 3.9Å; F162-F214 HydrophobicContact CE1-CB 3.83Å; F162-F214 AromaticContact CE1-CD2 3.86Å; F162-F214 HydrophobicContact CE1-CD2 3.86Å; F162-F214 HydrophobicContact CE1-CG 4.26Å; F162-F214 HydrophobicContact CE2-CB 4.13Å; F162-F214 HydrophobicContact CE2-CD2 4.12Å; F162-F214 AromaticContact CG-CD2 3.63Å; F162-F214 HydrophobicContact CG-CD2 3.63Å; F162-F214 HydrophobicContact CG-CE2 4.21Å; F162-F214 HydrophobicContact CZ-CB 3.65Å; F162-F214 HydrophobicContact CZ-CD2 4.11Å; F162-F214 HydrophobicContact CZ-CG 4.39Å; F162-Y217 HydrophobicContact CB-CD1 4.19Å; F162-Y217 HydrophobicContact CB-CE1 3.84Å; F162-Y217 AromaticContact CD2-CD1 3.58Å; F162-Y217 HydrophobicContact CD2-CD1 3.58Å; F162-Y217 HydrophobicContact CD2-CD2 4.32Å; F162-Y217 HydrophobicContact CD2-CE1 4.06Å; F162-Y217 AromaticContact CD2-CG 3.71Å; F162-Y217 HydrophobicContact CD2-CG 3.71Å; F162-Y217 HydrophobicContact CE2-CD1 4.35Å; F162-Y217 HydrophobicContact CE2-CG 4.22Å; F162-Y217 HydrophobicContact CG-CD1 4.19Å; F162-Y217 HydrophobicContact CG-CE1 4.34Å
163K93.1Very high91.7Very high133 Ų13351 Ų5158%0.57826%0.258SS*.Hα-helixtrans-61-33.8177.9-70.9173.2179.5171.20112.9I159 Q160 M165I159-K163 HydrophobicContact CG2-CD 4.3Å; I159-K163 WeakPolarHBondContact O-CG 3.08Å; I159-K163 PolarHBondContact O-N 3.15Å; Q160-K163 WeakPolarHBondContact O-CB 3.24Å; Q160-K163 PolarHBondContact O-N 2.81Å; K163-M165 VanDerWaalsContact C-N 3.33Å
164Q91.3Very high91.6Very high76 Ų7653.1 Ų53.136%0.35527%0.271SS..Hα-helixtrans-67.4-34.8176-74.2172.54.500112.2T121 Q160 A161 F162T121-Q164 PolarHBondContact O-NE2 2.86Å; Q160-Q164 WeakPolarHBondContact O-CG 3.06Å; Q160-Q164 PolarHBondContact O-N 3.45Å; A161-Q164 PolarHBondContact O-N 3.44Å; F162-Q164 VanDerWaalsContact C-N 3.27Å; F162-Q164 PolarHBondContact O-N 2.94Å
165M91.1Very high91.7Very high50 Ų5052.9 Ų52.925%0.24627%0.271CS..Hα-helixtrans-84.2-28.8178.6-69.4-66-179.600113.3F120 A161 F162 K163 Q167 I173 Q177 I181F120-M165 HydrophobicContact CE1-CE 3.46Å; F120-M165 VanDerWaalsContact CE1-CE 3.46Å; F120-M165 HydrophobicContact CE1-CG 4.36Å; F120-M165 HydrophobicContact CZ-CE 3.7Å; A161-M165 PolarHBondContact O-N 2.97Å; F162-M165 PolarHBondContact O-N 3.39Å; F162-M165 VanDerWaalsContact O-N 3.11Å; K163-M165 VanDerWaalsContact C-N 3.33Å; M165-Q167 VanDerWaalsContact C-N 3.29Å; M165-Q167 PolarHBondContact O-N 2.86Å; M165-Q167 VanDerWaalsContact O-N 3.11Å; M165-I173 HydrophobicContact CB-CG2 3.92Å; M165-Q177 HydrophobicContact CB-CB 4.21Å; M165-Q177 HydrophobicContact CB-CG 4.35Å; M165-Q177 HydrophobicContact CG-CB 4.25Å; M165-Q177 HydrophobicContact CG-CG 4.4Å; M165-Q177 PolarHBondContact O-NE2 3.24Å; M165-Q177 VanDerWaalsContact O-NE2 3.14Å; M165-Q177 HydrophobicContact SD-CB 4.23Å; M165-Q177 HydrophobicContact SD-CG 3.83Å; M165-I181 HydrophobicContact CB-CD1 4.14Å; M165-I181 HydrophobicContact CG-CD1 3.77Å; M165-I181 HydrophobicContact CG-CG1 4.04Å
166D93.1Very high91.7Very high17 Ų1755.5 Ų55.59%0.09129%0.285CS..  trans-84.564.4174.6-176.129.8000111.8F162 D168 K169 T170 G171 I173F162-D166 HydrophobicContact CD1-CB 4.25Å; F162-D166 HydrophobicContact CE1-CB 3.95Å; F162-D166 PolarHBondContact O-N 3.42Å; D166-D168 PolarHBondContact O-N 2.9Å; D166-K169 PolarHBondContact O-N 3.37Å; D166-K169 PolarHBondContact OD1-N 3.43Å; D166-K169 WeakPolarHBondContact OD2-CA 3.45Å; D166-T170 PolarHBondContact OD1-N 3.19Å; D166-T170 PolarHBondContact OD1-OG1 3.26Å; D166-T170 PolarHBondContact OD2-N 3.41Å; D166-G171 WeakPolarHBondContact OD2-CA 3.24Å; D166-G171 PolarHBondContact OD2-N 2.93Å; D166-I173 HydrophobicContact CB-CG2 3.95Å
167Q87.9Confident91.6Very high161 Ų16155.9 Ų55.975%0.75229%0.286SS*.THydrogen-bonded Turntrans-59-36.6-178-63.9-178.5-3.600112.7M165 K169M165-Q167 VanDerWaalsContact C-N 3.29Å; M165-Q167 PolarHBondContact O-N 2.86Å; M165-Q167 VanDerWaalsContact O-N 3.11Å; Q167-K169 PolarHBondContact O-N 2.99Å
168D89Confident91.6Very high122 Ų12255.6 Ų55.665%0.65229%0.285SS*.THydrogen-bonded Turntrans-78.3-4-179.7-60.4-37.7000113.1D166 T170D166-D168 PolarHBondContact O-N 2.9Å; D168-T170 HydrophobicContact CB-CG2 3.66Å; D168-T170 PolarHBondContact O-N 2.94Å
169K90.5Very high91.5Very high187 Ų18758.9 Ų58.981%0.81330%0.299SS*.  trans52.939.7-177.5-58.4-179.9-1791760113D166 Q167 G171D166-K169 PolarHBondContact O-N 3.37Å; D166-K169 PolarHBondContact OD1-N 3.43Å; D166-K169 WeakPolarHBondContact OD2-CA 3.45Å; Q167-K169 PolarHBondContact O-N 2.99Å; K169-G171 VanDerWaalsContact C-N 3.32Å
170T90.6Very high91.2Very high75 Ų7559.2 Ų59.246%0.4631%0.305SS..SBendtrans-83.3-13.4-179.460.70000112.7D166 D168 T172D166-T170 PolarHBondContact OD1-N 3.19Å; D166-T170 PolarHBondContact OD1-OG1 3.26Å; D166-T170 PolarHBondContact OD2-N 3.41Å; D168-T170 HydrophobicContact CB-CG2 3.66Å; D168-T170 PolarHBondContact O-N 2.94Å; T170-T172 PolarHBondContact OG1-N 3.08Å; T170-T172 PolarHBondContact OG1-O 3.33Å; T170-T172 PolarHBondContact OG1-OG1 2.87Å
171G91.7Very high91.1Very high32 Ų3258.6 Ų58.633%0.3330%0.302SS..SBendtrans75.413.4-167.500000113D166 K169 F214D166-G171 WeakPolarHBondContact OD2-CA 3.24Å; D166-G171 PolarHBondContact OD2-N 2.93Å; K169-G171 VanDerWaalsContact C-N 3.32Å; G171-F214 PolarHBondContact O-N 3.12Å
172T92.4Very high91Very high29 Ų2958.5 Ų58.518%0.17830%0.301CS..EExtended strand (participates in β ladder)trans-137.3142.7-178.773.80000112.7T170 R211 I212 T213T170-T172 PolarHBondContact OG1-N 3.08Å; T170-T172 PolarHBondContact OG1-O 3.33Å; T170-T172 PolarHBondContact OG1-OG1 2.87Å; T172-R211 PolarHBondContact OG1-NE 2.86Å; T172-I212 CarbonylContact C-O 3.58Å; T172-I212 VanDerWaalsContact CA-O 3.22Å; T172-I212 WeakPolarHBondContact CA-O 3.14Å; T172-T213 HydrophobicContact CG2-CG2 4.26Å
173I92.9Very high90.7Very high0 Ų060.6 Ų60.60%031%0.312CS..EExtended strand (participates in β ladder)trans-121.8161.9174.861.5176.7000110.6F162 M165 D166 Q177 F178 I181 R211 I212F162-I173 HydrophobicContact CD2-CD1 3.69Å; F162-I173 HydrophobicContact CD2-CG1 4.21Å; F162-I173 HydrophobicContact CD2-CG2 4.16Å; F162-I173 HydrophobicContact CE1-CG2 4.21Å; F162-I173 HydrophobicContact CE2-CB 4.32Å; F162-I173 HydrophobicContact CE2-CD1 3.68Å; F162-I173 HydrophobicContact CE2-CG1 3.68Å; F162-I173 HydrophobicContact CE2-CG2 3.84Å; F162-I173 HydrophobicContact CG-CG2 4.49Å; F162-I173 HydrophobicContact CZ-CG1 4.32Å; F162-I173 HydrophobicContact CZ-CG2 3.85Å; M165-I173 HydrophobicContact CB-CG2 3.92Å; D166-I173 HydrophobicContact CB-CG2 3.95Å; I173-Q177 HydrophobicContact CB-CB 4.21Å; I173-F178 HydrophobicContact CD1-CB 3.83Å; I173-F178 HydrophobicContact CG1-CB 4.28Å; I173-I181 HydrophobicContact CD1-CD1 3.76Å; I173-R211 CarbonylContact O-C 3.49Å; I173-R211 WeakPolarHBondContact O-CA 3.34Å; I173-I212 HydrophobicContact CG1-CB 4.16Å; I173-I212 PolarHBondContact N-O 3.44Å; I173-I212 PolarHBondContact O-N 3.17Å
174T90.6Very high90.3Very high52 Ų5257 Ų5732%0.31930%0.298SS..EExtended strand (participates in β ladder)trans-71.4159.4173.162.60000111.4D176 Q177 F178T174-D176 VanDerWaalsContact C-N 3.26Å; T174-D176 PolarHBondContact O-N 3.41Å; T174-Q177 PolarHBondContact O-N 3.23Å; T174-Q177 WeakPolarHBondContact OG1-CB 3.44Å; T174-Q177 VanDerWaalsContact OG1-CD 3.27Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.32Å; T174-Q177 PolarHBondContact OG1-N 3.23Å; T174-Q177 PolarHBondContact OG1-OE1 3.2Å; T174-F178 PolarHBondContact O-N 3.25Å
175V89.1Confident90.1Very high16 Ų1653.8 Ų53.810%0.09728%0.283CS..Hα-helixtrans-59.8-37.6176179.10000111.7F178 K179 L199 V202 L203 G210 I212V175-F178 WeakPolarHBondContact O-CB 3.09Å; V175-F178 PolarHBondContact O-N 2.97Å; V175-K179 WeakPolarHBondContact O-CB 3.41Å; V175-K179 PolarHBondContact O-N 3.41Å; V175-L199 HydrophobicContact CG1-CD1 3.79Å; V175-L199 HydrophobicContact CG1-CG 4.23Å; V175-V202 HydrophobicContact CB-CG1 4.38Å; V175-V202 HydrophobicContact CG1-CB 4.08Å; V175-V202 HydrophobicContact CG1-CG1 3.77Å; V175-V202 HydrophobicContact CG2-CG1 3.81Å; V175-L203 HydrophobicContact CG2-CD2 4.41Å; V175-G210 WeakPolarHBondContact CG2-O 3.5Å; V175-I212 HydrophobicContact CG2-CD1 4.41Å; V175-I212 HydrophobicContact CG2-CG1 4.19Å
176D88.7Confident89.9Confident111 Ų11151.8 Ų51.859%0.59427%0.273SS*.Hα-helixtrans-67.5-41.9178.5-68.9-42.7000112T174 K179 S180T174-D176 VanDerWaalsContact C-N 3.26Å; T174-D176 PolarHBondContact O-N 3.41Å; D176-K179 PolarHBondContact O-N 2.79Å; D176-S180 PolarHBondContact O-N 3.15Å
177Q91Very high89.4Confident48 Ų4852.9 Ų52.922%0.22428%0.282CS..Hα-helixtrans-62.2-45.5173.1-73169.3-42.300111.2M165 I173 T174 K179 S180 I181M165-Q177 HydrophobicContact CB-CB 4.21Å; M165-Q177 HydrophobicContact CB-CG 4.35Å; M165-Q177 HydrophobicContact CG-CB 4.25Å; M165-Q177 HydrophobicContact CG-CG 4.4Å; M165-Q177 PolarHBondContact O-NE2 3.24Å; M165-Q177 VanDerWaalsContact O-NE2 3.14Å; M165-Q177 HydrophobicContact SD-CB 4.23Å; M165-Q177 HydrophobicContact SD-CG 3.83Å; I173-Q177 HydrophobicContact CB-CB 4.21Å; T174-Q177 PolarHBondContact O-N 3.23Å; T174-Q177 WeakPolarHBondContact OG1-CB 3.44Å; T174-Q177 VanDerWaalsContact OG1-CD 3.27Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.32Å; T174-Q177 PolarHBondContact OG1-N 3.23Å; T174-Q177 PolarHBondContact OG1-OE1 3.2Å; Q177-K179 VanDerWaalsContact C-N 3.33Å; Q177-K179 PolarHBondContact O-N 2.87Å; Q177-S180 PolarHBondContact O-N 2.93Å; Q177-I181 VanDerWaalsContact O-CG1 3.3Å; Q177-I181 WeakPolarHBondContact O-CG1 3.39Å; Q177-I181 PolarHBondContact O-N 3.42Å
178F91.8Very high89.1Confident1 Ų147.8 Ų47.80%0.00426%0.255CS..Hα-helixtrans-55.1-48.9174.1168.8-92.1000111.3I173 T174 V175 S180 I181 I182 L198 V202 I212 Y216 Y217 F220I173-F178 HydrophobicContact CD1-CB 3.83Å; I173-F178 HydrophobicContact CG1-CB 4.28Å; T174-F178 PolarHBondContact O-N 3.25Å; V175-F178 WeakPolarHBondContact O-CB 3.09Å; V175-F178 PolarHBondContact O-N 2.97Å; F178-S180 VanDerWaalsContact C-N 3.34Å; F178-S180 PolarHBondContact O-N 2.69Å; F178-I181 PolarHBondContact O-N 3.43Å; F178-I182 HydrophobicContact CD1-CG1 4.38Å; F178-I182 HydrophobicContact CD2-CG1 4.08Å; F178-I182 HydrophobicContact CE1-CG1 4.01Å; F178-I182 HydrophobicContact CE2-CD1 4.15Å; F178-I182 HydrophobicContact CE2-CG1 3.69Å; F178-I182 HydrophobicContact CG-CG1 4.41Å; F178-I182 HydrophobicContact CZ-CD1 4.32Å; F178-I182 HydrophobicContact CZ-CG1 3.66Å; F178-I182 WeakPolarHBondContact O-CB 3.42Å; F178-I182 VanDerWaalsContact O-CG1 3.3Å; F178-I182 WeakPolarHBondContact O-CG1 3.42Å; F178-I182 PolarHBondContact O-N 2.97Å; F178-L198 HydrophobicContact CD1-CD2 4.48Å; F178-L198 HydrophobicContact CE1-CD1 4.29Å; F178-L198 HydrophobicContact CE1-CD2 4.12Å; F178-L198 HydrophobicContact CE1-CG 4.17Å; F178-V202 HydrophobicContact CD1-CG2 3.86Å; F178-V202 HydrophobicContact CE1-CG2 3.45Å; F178-V202 VanDerWaalsContact CE1-CG2 3.45Å; F178-V202 HydrophobicContact CZ-CG2 4.27Å; F178-I212 HydrophobicContact CB-CB 4.47Å; F178-I212 HydrophobicContact CB-CG1 4.22Å; F178-I212 HydrophobicContact CD2-CG2 3.86Å; F178-I212 HydrophobicContact CE2-CG2 4.41Å; F178-I212 HydrophobicContact CG-CG1 4.37Å; F178-I212 HydrophobicContact CG-CG2 4.37Å; F178-Y216 HydrophobicContact CZ-CE1 4.47Å; F178-Y217 AromaticContact CD2-CD2 3.76Å; F178-Y217 HydrophobicContact CD2-CD2 3.76Å; F178-Y217 AromaticContact CE2-CD2 3.84Å; F178-Y217 HydrophobicContact CE2-CD2 3.84Å; F178-F220 HydrophobicContact CE2-CB 4.4Å; F178-F220 HydrophobicContact CE2-CD1 4.48Å; F178-F220 HydrophobicContact CE2-CG 4.37Å; F178-F220 HydrophobicContact CZ-CB 4.29Å; F178-F220 AromaticContact CZ-CD1 3.84Å; F178-F220 HydrophobicContact CZ-CD1 3.84Å; F178-F220 HydrophobicContact CZ-CD2 4.04Å; F178-F220 HydrophobicContact CZ-CE1 4.15Å; F178-F220 HydrophobicContact CZ-CE2 4.36Å; F178-F220 AromaticContact CZ-CG 3.79Å; F178-F220 HydrophobicContact CZ-CG 3.79Å; F178-F220 HydrophobicContact CZ-CZ 4.43Å
179K90.2Very high88.8Confident70 Ų7043 Ų4330%0.30423%0.23SC..Hα-helixtrans-59.9-44.5178.6172.1174.3-179.9-171.90111.6V175 D176 Q177 I182 L183 L198 L199V175-K179 WeakPolarHBondContact O-CB 3.41Å; V175-K179 PolarHBondContact O-N 3.41Å; D176-K179 PolarHBondContact O-N 2.79Å; Q177-K179 VanDerWaalsContact C-N 3.33Å; Q177-K179 PolarHBondContact O-N 2.87Å; K179-I182 PolarHBondContact O-N 3.34Å; K179-L183 HydrophobicContact CD-CD1 4.33Å; K179-L183 HydrophobicContact CG-CD1 3.64Å; K179-L183 HydrophobicContact CG-CG 4.25Å; K179-L183 WeakPolarHBondContact O-CB 3.12Å; K179-L183 VanDerWaalsContact O-CG 3.31Å; K179-L183 WeakPolarHBondContact O-CG 3.3Å; K179-L183 PolarHBondContact O-N 3.22Å; K179-L198 HydrophobicContact CB-CD2 4.01Å; K179-L198 HydrophobicContact CG-CD2 3.96Å; K179-L199 HydrophobicContact CD-CD1 4.41Å
180S89.3Confident88.6Confident43 Ų4334.4 Ų34.430%0.30119%0.193SC..Hα-helixtrans-58.5-52.1177.2-160.40000111.1D176 Q177 F178 I182 L183 Q184D176-S180 PolarHBondContact O-N 3.15Å; Q177-S180 PolarHBondContact O-N 2.93Å; F178-S180 VanDerWaalsContact C-N 3.34Å; F178-S180 PolarHBondContact O-N 2.69Å; S180-I182 PolarHBondContact O-N 2.85Å; S180-L183 PolarHBondContact O-N 2.94Å; S180-Q184 VanDerWaalsContact O-CB 3.25Å; S180-Q184 WeakPolarHBondContact O-CB 3.42Å; S180-Q184 VanDerWaalsContact O-CG 3.22Å; S180-Q184 WeakPolarHBondContact O-CG 3.39Å; S180-Q184 PolarHBondContact O-N 3.13Å; S180-Q184 VanDerWaalsContact O-N 3.1Å; S180-Q184 PolarHBondContact O-OE1 3.16Å; S180-Q184 PolarHBondContact OG-OE1 2.99Å
181I91.3Very high88.4Confident0 Ų031.3 Ų31.30%017%0.174CC..Hα-helixtrans-56.8-50.4179-63.1167.6000110.9F120 A161 M165 I173 Q177 F178 Q184 L185 Y217F120-I181 HydrophobicContact CE1-CG1 3.91Å; F120-I181 HydrophobicContact CE2-CB 4.47Å; F120-I181 HydrophobicContact CE2-CG1 4.34Å; F120-I181 HydrophobicContact CZ-CB 4.16Å; F120-I181 HydrophobicContact CZ-CG1 3.56Å; A161-I181 HydrophobicContact CB-CG2 4.07Å; M165-I181 HydrophobicContact CB-CD1 4.14Å; M165-I181 HydrophobicContact CG-CD1 3.77Å; M165-I181 HydrophobicContact CG-CG1 4.04Å; I173-I181 HydrophobicContact CD1-CD1 3.76Å; Q177-I181 VanDerWaalsContact O-CG1 3.3Å; Q177-I181 WeakPolarHBondContact O-CG1 3.39Å; Q177-I181 PolarHBondContact O-N 3.42Å; F178-I181 PolarHBondContact O-N 3.43Å; I181-Q184 PolarHBondContact O-N 3.16Å; I181-L185 HydrophobicContact CG2-CD1 3.75Å; I181-L185 HydrophobicContact CG2-CG 4.35Å; I181-L185 WeakPolarHBondContact O-CB 3.49Å; I181-L185 PolarHBondContact O-N 3.03Å; I181-Y217 HydrophobicContact CG2-CE2 3.82Å; I181-Y217 VanDerWaalsContact CG2-OH 3.32Å; I181-Y217 WeakPolarHBondContact CG2-OH 3.21Å
182I91.2Very high87.9Confident0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-67.3-41.9-174.2-68.8-64000111.9F178 K179 S180 Q184 K186 S187 L190 L198 Y217 F220 I221F178-I182 HydrophobicContact CD1-CG1 4.38Å; F178-I182 HydrophobicContact CD2-CG1 4.08Å; F178-I182 HydrophobicContact CE1-CG1 4.01Å; F178-I182 HydrophobicContact CE2-CD1 4.15Å; F178-I182 HydrophobicContact CE2-CG1 3.69Å; F178-I182 HydrophobicContact CG-CG1 4.41Å; F178-I182 HydrophobicContact CZ-CD1 4.32Å; F178-I182 HydrophobicContact CZ-CG1 3.66Å; F178-I182 WeakPolarHBondContact O-CB 3.42Å; F178-I182 VanDerWaalsContact O-CG1 3.3Å; F178-I182 WeakPolarHBondContact O-CG1 3.42Å; F178-I182 PolarHBondContact O-N 2.97Å; K179-I182 PolarHBondContact O-N 3.34Å; S180-I182 PolarHBondContact O-N 2.85Å; I182-Q184 VanDerWaalsContact C-N 3.32Å; I182-Q184 PolarHBondContact O-N 3.25Å; I182-K186 HydrophobicContact CD1-CG 4.49Å; I182-K186 CarbonylContact O-C 3.51Å; I182-K186 VanDerWaalsContact O-CA 3.3Å; I182-K186 WeakPolarHBondContact O-CA 3.34Å; I182-K186 PolarHBondContact O-N 3.19Å; I182-S187 PolarHBondContact O-N 3.35Å; I182-S187 VanDerWaalsContact O-N 3.15Å; I182-L190 HydrophobicContact CG2-CD1 3.61Å; I182-L190 HydrophobicContact CG2-CD2 3.93Å; I182-L190 HydrophobicContact CG2-CG 4.27Å; I182-L198 HydrophobicContact CB-CD2 4.15Å; I182-L198 HydrophobicContact CG2-CD1 4.37Å; I182-L198 HydrophobicContact CG2-CD2 3.9Å; I182-Y217 HydrophobicContact CD1-CD2 4.23Å; I182-Y217 HydrophobicContact CD1-CE2 3.84Å; I182-Y217 HydrophobicContact CG1-CE2 4.4Å; I182-F220 HydrophobicContact CD1-CD1 4.14Å; I182-F220 HydrophobicContact CG2-CE1 4.02Å; I182-I221 HydrophobicContact CD1-CD1 3.98Å; I182-I221 HydrophobicContact CD1-CG1 3.71Å
183L88.2Confident87.5Confident50 Ų5035.5 Ų35.526%0.26219%0.193SC..Hα-helixtrans-68.3-30.1178.7-73.2176.6000113.3K179 S180 S187 L190 K195 L198K179-L183 HydrophobicContact CD-CD1 4.33Å; K179-L183 HydrophobicContact CG-CD1 3.64Å; K179-L183 HydrophobicContact CG-CG 4.25Å; K179-L183 WeakPolarHBondContact O-CB 3.12Å; K179-L183 VanDerWaalsContact O-CG 3.31Å; K179-L183 WeakPolarHBondContact O-CG 3.3Å; K179-L183 PolarHBondContact O-N 3.22Å; S180-L183 PolarHBondContact O-N 2.94Å; L183-S187 WeakPolarHBondContact O-CB 3.41Å; L183-S187 PolarHBondContact O-OG 3.41Å; L183-L190 HydrophobicContact CD2-CD1 3.9Å; L183-K195 HydrophobicContact CD2-CB 4.07Å; L183-K195 HydrophobicContact CD2-CD 4.46Å; L183-K195 HydrophobicContact CD2-CG 3.95Å; L183-L198 HydrophobicContact CG-CD2 4.49Å
184Q84.9Confident87.3Confident57 Ų5735.5 Ų35.527%0.26619%0.193SC..Hα-helixtrans-88.7-52.1-177.3-71.3-177.7-5400111.8E119 F120 S180 I181 I182E119-Q184 HydrophobicContact CB-CB 4.49Å; E119-Q184 PolarHBondContact OE1-NE2 3.35Å; E119-Q184 WeakPolarHBondContact OE2-CB 3.36Å; E119-Q184 WeakPolarHBondContact OE2-CG 3.06Å; F120-Q184 HydrophobicContact CD2-CB 4.14Å; F120-Q184 HydrophobicContact CE2-CB 3.77Å; F120-Q184 HydrophobicContact CE2-CG 4.38Å; S180-Q184 VanDerWaalsContact O-CB 3.25Å; S180-Q184 WeakPolarHBondContact O-CB 3.42Å; S180-Q184 VanDerWaalsContact O-CG 3.22Å; S180-Q184 WeakPolarHBondContact O-CG 3.39Å; S180-Q184 PolarHBondContact O-N 3.13Å; S180-Q184 VanDerWaalsContact O-N 3.1Å; S180-Q184 PolarHBondContact O-OE1 3.16Å; S180-Q184 PolarHBondContact OG-OE1 2.99Å; I181-Q184 PolarHBondContact O-N 3.16Å; I182-Q184 VanDerWaalsContact C-N 3.32Å; I182-Q184 PolarHBondContact O-N 3.25Å
185L85.9Confident87.1Confident9 Ų936.5 Ų36.55%0.04719%0.192CC..Hα-helixtrans-82.8-34.4-177-66.1-176.3000114.2V116 F120 A161 I181V116-L185 HydrophobicContact CG1-CD2 3.2Å; V116-L185 HydrophobicContact CG1-CG 4.45Å; F120-L185 HydrophobicContact CB-CD2 3.92Å; F120-L185 HydrophobicContact CB-CG 4.48Å; F120-L185 HydrophobicContact CD2-CD1 4.18Å; F120-L185 HydrophobicContact CD2-CD2 3.83Å; F120-L185 HydrophobicContact CD2-CG 3.71Å; F120-L185 HydrophobicContact CE2-CG 4.29Å; F120-L185 HydrophobicContact CG-CD1 4.36Å; F120-L185 HydrophobicContact CG-CD2 4.22Å; F120-L185 HydrophobicContact CG-CG 4.3Å; A161-L185 HydrophobicContact CB-CD1 3.34Å; I181-L185 HydrophobicContact CG2-CD1 3.75Å; I181-L185 HydrophobicContact CG2-CG 4.35Å; I181-L185 WeakPolarHBondContact O-CB 3.49Å; I181-L185 PolarHBondContact O-N 3.03Å
186K87.4Confident86.9Confident8 Ų843.2 Ų43.24%0.03522%0.223CC..SBendtrans-122.320.8-169.5-57.5-62178.4-176.50112.2N154 I182 R188 L189 I221N154-K186 PolarHBondContact O-NZ 3.22Å; I182-K186 HydrophobicContact CD1-CG 4.49Å; I182-K186 CarbonylContact O-C 3.51Å; I182-K186 VanDerWaalsContact O-CA 3.3Å; I182-K186 WeakPolarHBondContact O-CA 3.34Å; I182-K186 PolarHBondContact O-N 3.19Å; K186-R188 PolarHBondContact O-N 3.32Å; K186-L189 HydrophobicContact CB-CD1 4.19Å; K186-L189 HydrophobicContact CB-CG 4.46Å; K186-L189 HydrophobicContact CD-CD1 3.98Å; K186-L189 HydrophobicContact CG-CD1 4.43Å; K186-L189 WeakPolarHBondContact O-CB 3.38Å; K186-L189 PolarHBondContact O-N 2.93Å; K186-I221 HydrophobicContact CD-CG2 4.41Å; K186-I221 HydrophobicContact CG-CD1 4.27Å; K186-I221 HydrophobicContact CG-CG1 4.35Å
187S83.1Confident86.8Confident39 Ų3940.1 Ų40.127%0.27321%0.206SC..G310 helixtrans-49.7-35.4178.4-142.90000113.6I182 L183 L189 L190 K195I182-S187 PolarHBondContact O-N 3.35Å; I182-S187 VanDerWaalsContact O-N 3.15Å; L183-S187 WeakPolarHBondContact O-CB 3.41Å; L183-S187 PolarHBondContact O-OG 3.41Å; S187-L189 PolarHBondContact O-N 3.4Å; S187-L190 PolarHBondContact O-N 2.96Å; S187-K195 WeakPolarHBondContact O-CE 3.34Å; S187-K195 PolarHBondContact O-NZ 3.26Å; S187-K195 WeakPolarHBondContact OG-CE 3.34Å; S187-K195 PolarHBondContact OG-NZ 3.18Å
188R80.4Confident86.5Confident54 Ų5437.9 Ų37.920%0.20420%0.196CC..G310 helixtrans-64.2-25.9178.367.4-162.7178.1102.9-16.8113.9N154 K186 L190 P292 E650 S651 R652 G654N154-R188 PolarHBondContact OD1-NH2 2.98Å; K186-R188 PolarHBondContact O-N 3.32Å; R188-L190 VanDerWaalsContact C-N 3.3Å; R188-P292 VanDerWaalsContact O-CG 3.3Å; R188-P292 WeakPolarHBondContact O-CG 3.35Å; R188-E650 WeakPolarHBondContact CD-O 3.43Å; R188-S651 VanDerWaalsContact CD-O 3.29Å; R188-S651 WeakPolarHBondContact CD-O 3.23Å; R188-S651 PolarHBondContact NH1-O 2.87Å; R188-R652 VanDerWaalsContact NH1-CA 3.29Å; R188-R652 PolarHBondContact NH1-O 3.2Å; R188-R652 PolarHBondContact NH2-O 2.99Å; R188-G654 VanDerWaalsContact CZ-CA 3.41Å; R188-G654 VanDerWaalsContact CZ-N 3.29Å
189L84.3Confident86.1Confident21 Ų2140.8 Ų40.811%0.1121%0.211CC..G310 helixtrans-86.30-179.8-59.5-175.3000112.9K186 S187 L224 P292K186-L189 HydrophobicContact CB-CD1 4.19Å; K186-L189 HydrophobicContact CB-CG 4.46Å; K186-L189 HydrophobicContact CD-CD1 3.98Å; K186-L189 HydrophobicContact CG-CD1 4.43Å; K186-L189 WeakPolarHBondContact O-CB 3.38Å; K186-L189 PolarHBondContact O-N 2.93Å; S187-L189 PolarHBondContact O-N 3.4Å; L189-L224 HydrophobicContact CB-CB 4Å; L189-L224 HydrophobicContact CB-CD1 4.11Å; L189-L224 HydrophobicContact CD1-CB 4.28Å; L189-P292 WeakPolarHBondContact O-CD 3.38Å; L189-P292 WeakPolarHBondContact O-CG 3.39Å
190L85.6Confident85.5Confident7 Ų740.5 Ų40.54%0.03722%0.215CC..  trans-116130.9-173.7-50.4167.7000110.9I182 L183 S187 R188 I194 K195 F220 L224I182-L190 HydrophobicContact CG2-CD1 3.61Å; I182-L190 HydrophobicContact CG2-CD2 3.93Å; I182-L190 HydrophobicContact CG2-CG 4.27Å; L183-L190 HydrophobicContact CD2-CD1 3.9Å; S187-L190 PolarHBondContact O-N 2.96Å; R188-L190 VanDerWaalsContact C-N 3.3Å; L190-I194 HydrophobicContact CB-CB 4.47Å; L190-I194 HydrophobicContact CB-CG2 4.42Å; L190-I194 HydrophobicContact CD2-CG2 3.7Å; L190-K195 HydrophobicContact CB-CD 4.34Å; L190-K195 HydrophobicContact CB-CG 3.54Å; L190-K195 HydrophobicContact CD1-CG 3.99Å; L190-K195 HydrophobicContact CG-CG 4.44Å; L190-K195 VanDerWaalsContact O-CE 3.3Å; L190-K195 WeakPolarHBondContact O-CE 3.33Å; L190-F220 HydrophobicContact CD2-CE1 4.12Å; L190-F220 HydrophobicContact CD2-CZ 4.47Å; L190-L224 HydrophobicContact CD2-CD1 3.48Å; L190-L224 VanDerWaalsContact CD2-CD1 3.48Å
191T85.8Confident85Confident11 Ų1138.5 Ų38.57%0.06720%0.201CC..  trans-70.8158.5166.559.40000110.7L193 I194 K195 D289 I290 T291 P292T191-L193 PolarHBondContact O-N 3.25Å; T191-I194 PolarHBondContact O-N 2.9Å; T191-I194 WeakPolarHBondContact OG1-CG1 3.41Å; T191-I194 PolarHBondContact OG1-N 3.07Å; T191-K195 WeakPolarHBondContact O-CG 3.31Å; T191-K195 PolarHBondContact O-N 3.04Å; T191-D289 WeakPolarHBondContact CG2-O 3.49Å; T191-D289 PolarHBondContact OG1-O 3.43Å; T191-I290 WeakPolarHBondContact CG2-O 3.32Å; T191-T291 WeakPolarHBondContact CG2-O 3.34Å; T191-P292 VanDerWaalsContact CG2-N 3.34Å
192P81.8Confident84.4Confident96 Ų9638.6 Ų38.662%0.62320%0.202SC*.Hα-helixtrans-50.8-41.4174-27.635.4000112.5I194 K195 E196P192-I194 PolarHBondContact O-N 2.96Å; P192-K195 PolarHBondContact O-N 3.46Å; P192-E196 WeakPolarHBondContact O-CG 3.45Å; P192-E196 PolarHBondContact O-N 3.27Å
193L84.1Confident83.6Confident53 Ų5343.6 Ų43.628%0.27723%0.228SC..Hα-helixtrans-57-48.6175.7-18071.4000112.5T191 N197 L276T191-L193 PolarHBondContact O-N 3.25Å; L193-N197 WeakPolarHBondContact O-CB 3.44Å; L193-N197 PolarHBondContact O-N 3.36Å; L193-N197 PolarHBondContact O-ND2 3.05Å; L193-L276 HydrophobicContact CD2-CD1 4.41Å; L193-L276 HydrophobicContact CD2-CD2 3.32Å; L193-L276 HydrophobicContact CD2-CG 3.81Å
194I87.9Confident82.6Confident0 Ų045.8 Ų45.80%024%0.237CC..Hα-helixtrans-67.9-41.3179.1-64.1170.4000110.5L190 T191 P192 E196 N197 L198 L224 L272 I290L190-I194 HydrophobicContact CB-CB 4.47Å; L190-I194 HydrophobicContact CB-CG2 4.42Å; L190-I194 HydrophobicContact CD2-CG2 3.7Å; T191-I194 PolarHBondContact O-N 2.9Å; T191-I194 WeakPolarHBondContact OG1-CG1 3.41Å; T191-I194 PolarHBondContact OG1-N 3.07Å; P192-I194 PolarHBondContact O-N 2.96Å; I194-E196 VanDerWaalsContact C-N 3.28Å; I194-E196 PolarHBondContact O-N 3.07Å; I194-N197 CarbonylContact O-C 3.55Å; I194-N197 PolarHBondContact O-N 3.43Å; I194-L198 HydrophobicContact CG2-CD1 3.97Å; I194-L198 WeakPolarHBondContact O-CA 2.98Å; I194-L198 PolarHBondContact O-N 3.48Å; I194-L224 HydrophobicContact CD1-CD2 4.4Å; I194-L272 HydrophobicContact CD1-CD2 4.15Å; I194-L272 HydrophobicContact CG1-CD2 4.11Å; I194-L272 HydrophobicContact CG2-CD2 4.03Å; I194-I290 HydrophobicContact CD1-CB 3.98Å; I194-I290 WeakPolarHBondContact CD1-O 3.35Å
195K86.9Confident81.6Confident72 Ų7243.7 Ų43.731%0.31323%0.229SC..Hα-helixtrans-57-43.7179.5-70.6-172.7-172.1-169.80111.7L183 S187 L190 T191 P192L183-K195 HydrophobicContact CD2-CB 4.07Å; L183-K195 HydrophobicContact CD2-CD 4.46Å; L183-K195 HydrophobicContact CD2-CG 3.95Å; S187-K195 WeakPolarHBondContact O-CE 3.34Å; S187-K195 PolarHBondContact O-NZ 3.26Å; S187-K195 WeakPolarHBondContact OG-CE 3.34Å; S187-K195 PolarHBondContact OG-NZ 3.18Å; L190-K195 HydrophobicContact CB-CD 4.34Å; L190-K195 HydrophobicContact CB-CG 3.54Å; L190-K195 HydrophobicContact CD1-CG 3.99Å; L190-K195 HydrophobicContact CG-CG 4.44Å; L190-K195 VanDerWaalsContact O-CE 3.3Å; L190-K195 WeakPolarHBondContact O-CE 3.33Å; T191-K195 WeakPolarHBondContact O-CG 3.31Å; T191-K195 PolarHBondContact O-N 3.04Å; P192-K195 PolarHBondContact O-N 3.46Å
196E85.5Confident80.3Confident157 Ų15752.7 Ų52.773%0.73427%0.27SS*.Hα-helixtrans-70.8-33.1179.9-71175.8-176.800112.8P192 I194P192-E196 WeakPolarHBondContact O-CG 3.45Å; P192-E196 PolarHBondContact O-N 3.27Å; I194-E196 VanDerWaalsContact C-N 3.28Å; I194-E196 PolarHBondContact O-N 3.07Å
197N86.4Confident79.2Confident47 Ų4754.9 Ų54.925%0.25128%0.281SS..Hα-helixtrans-107.510.9-171.7-65.6-79.8000114.4L193 I194 L199 T200 V201 L275L193-N197 WeakPolarHBondContact O-CB 3.44Å; L193-N197 PolarHBondContact O-N 3.36Å; L193-N197 PolarHBondContact O-ND2 3.05Å; I194-N197 CarbonylContact O-C 3.55Å; I194-N197 PolarHBondContact O-N 3.43Å; N197-L199 VanDerWaalsContact C-N 3.29Å; N197-L199 PolarHBondContact O-N 3.33Å; N197-T200 WeakPolarHBondContact O-CB 3.49Å; N197-T200 PolarHBondContact O-N 3.15Å; N197-V201 WeakPolarHBondContact O-CG2 3.41Å; N197-V201 PolarHBondContact O-N 3.15Å; N197-L275 HydrophobicContact CB-CD1 3.59Å; N197-L275 HydrophobicContact CB-CD2 3.87Å; N197-L275 HydrophobicContact CB-CG 4.37Å
198L85.3Confident78Confident1 Ų160.6 Ų60.61%0.00531%0.309CS..Hα-helixtrans-56.8-41.3-172.9-165.572.6000112.8F178 K179 I182 L183 I194 T200 V201 V202 F220F178-L198 HydrophobicContact CD1-CD2 4.48Å; F178-L198 HydrophobicContact CE1-CD1 4.29Å; F178-L198 HydrophobicContact CE1-CD2 4.12Å; F178-L198 HydrophobicContact CE1-CG 4.17Å; K179-L198 HydrophobicContact CB-CD2 4.01Å; K179-L198 HydrophobicContact CG-CD2 3.96Å; I182-L198 HydrophobicContact CB-CD2 4.15Å; I182-L198 HydrophobicContact CG2-CD1 4.37Å; I182-L198 HydrophobicContact CG2-CD2 3.9Å; L183-L198 HydrophobicContact CG-CD2 4.49Å; I194-L198 HydrophobicContact CG2-CD1 3.97Å; I194-L198 WeakPolarHBondContact O-CA 2.98Å; I194-L198 PolarHBondContact O-N 3.48Å; L198-T200 VanDerWaalsContact C-N 3.33Å; L198-T200 PolarHBondContact O-N 2.92Å; L198-V201 PolarHBondContact O-N 3.46Å; L198-V202 VanDerWaalsContact O-CG2 3.25Å; L198-V202 WeakPolarHBondContact O-CG2 3.14Å; L198-V202 PolarHBondContact O-N 3.08Å; L198-V202 VanDerWaalsContact O-N 3.11Å; L198-F220 HydrophobicContact CD1-CE1 4.09Å; L198-F220 HydrophobicContact CD1-CE2 4.29Å; L198-F220 HydrophobicContact CD1-CZ 3.51Å
199L81.8Confident77.3Confident61 Ų6162 Ų6232%0.31934%0.34SS..Hα-helixtrans-62.4-43177.6-160.6102000111V175 K179 N197 V202 L203V175-L199 HydrophobicContact CG1-CD1 3.79Å; V175-L199 HydrophobicContact CG1-CG 4.23Å; K179-L199 HydrophobicContact CD-CD1 4.41Å; N197-L199 VanDerWaalsContact C-N 3.29Å; N197-L199 PolarHBondContact O-N 3.33Å; L199-V202 PolarHBondContact O-N 2.99Å; L199-L203 HydrophobicContact CD2-CD1 3.61Å; L199-L203 HydrophobicContact CG-CD1 3.89Å; L199-L203 HydrophobicContact CG-CG 4.4Å; L199-L203 WeakPolarHBondContact O-CB 3.37Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.39Å; L199-L203 PolarHBondContact O-N 3.5Å
200T79.1Confident77Confident65 Ų6562.8 Ų62.840%0.39935%0.353SS..Hα-helixtrans-64.4-41.8179.2-52.80000111.7N197 L198 V202 Q204 L275N197-T200 WeakPolarHBondContact O-CB 3.49Å; N197-T200 PolarHBondContact O-N 3.15Å; L198-T200 VanDerWaalsContact C-N 3.33Å; L198-T200 PolarHBondContact O-N 2.92Å; T200-V202 VanDerWaalsContact C-N 3.32Å; T200-V202 PolarHBondContact O-N 3.07Å; T200-Q204 VanDerWaalsContact O-CG 3.29Å; T200-Q204 WeakPolarHBondContact O-CG 3.37Å; T200-Q204 PolarHBondContact O-N 3.11Å; T200-L275 HydrophobicContact CG2-CD2 4.37Å
201V78.3Confident77.1Confident0 Ų067.1 Ų67.10%037%0.369CS..Hα-helixtrans-60.3-46176.4175.20000110.6N197 L198 Q204 Q271 L272 L275N197-V201 WeakPolarHBondContact O-CG2 3.41Å; N197-V201 PolarHBondContact O-N 3.15Å; L198-V201 PolarHBondContact O-N 3.46Å; V201-Q204 PolarHBondContact O-N 3.1Å; V201-Q271 HydrophobicContact CG1-CB 4.07Å; V201-L272 HydrophobicContact CB-CD2 4.47Å; V201-L272 HydrophobicContact CG1-CD2 3.74Å; V201-L272 HydrophobicContact CG1-CG 4.26Å; V201-L272 HydrophobicContact CG2-CD2 4.02Å; V201-L275 HydrophobicContact CG2-CD1 3.43Å; V201-L275 VanDerWaalsContact CG2-CD1 3.43Å; V201-L275 HydrophobicContact CG2-CD2 3.93Å; V201-L275 HydrophobicContact CG2-CG 3.79Å
202V78.3Confident77.3Confident2 Ų266.7 Ų66.71%0.01237%0.366CS..Hα-helixtrans-72.3-40.9-175.6176.50000111.3V175 F178 L198 L199 T200 Q204 S205 I212V175-V202 HydrophobicContact CB-CG1 4.38Å; V175-V202 HydrophobicContact CG1-CB 4.08Å; V175-V202 HydrophobicContact CG1-CG1 3.77Å; V175-V202 HydrophobicContact CG2-CG1 3.81Å; F178-V202 HydrophobicContact CD1-CG2 3.86Å; F178-V202 HydrophobicContact CE1-CG2 3.45Å; F178-V202 VanDerWaalsContact CE1-CG2 3.45Å; F178-V202 HydrophobicContact CZ-CG2 4.27Å; L198-V202 VanDerWaalsContact O-CG2 3.25Å; L198-V202 WeakPolarHBondContact O-CG2 3.14Å; L198-V202 PolarHBondContact O-N 3.08Å; L198-V202 VanDerWaalsContact O-N 3.11Å; L199-V202 PolarHBondContact O-N 2.99Å; T200-V202 VanDerWaalsContact C-N 3.32Å; T200-V202 PolarHBondContact O-N 3.07Å; V202-Q204 PolarHBondContact O-N 3.08Å; V202-S205 WeakPolarHBondContact O-CB 3.19Å; V202-S205 PolarHBondContact O-N 3.01Å; V202-S205 PolarHBondContact O-OG 3.06Å; V202-I212 HydrophobicContact CG1-CD1 3.21Å; V202-I212 HydrophobicContact CG1-CG1 3.92Å
203L74.6Confident77.8Confident106 Ų10664.6 Ų64.656%0.55535%0.352SS*.Hα-helixtrans-69.3-19.1178.8-70.7173.4000114V175 L199 S205V175-L203 HydrophobicContact CG2-CD2 4.41Å; L199-L203 HydrophobicContact CD2-CD1 3.61Å; L199-L203 HydrophobicContact CG-CD1 3.89Å; L199-L203 HydrophobicContact CG-CG 4.4Å; L199-L203 WeakPolarHBondContact O-CB 3.37Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.39Å; L199-L203 PolarHBondContact O-N 3.5Å; L203-S205 PolarHBondContact O-N 3.25Å
204Q67.9Low78.3Confident96 Ų9665.8 Ų65.845%0.44936%0.355SS..THydrogen-bonded Turntrans-71.9-14.6171.1-76.4175.613.400113.1T200 V201 V202 S274T200-Q204 VanDerWaalsContact O-CG 3.29Å; T200-Q204 WeakPolarHBondContact O-CG 3.37Å; T200-Q204 PolarHBondContact O-N 3.11Å; V201-Q204 PolarHBondContact O-N 3.1Å; V202-Q204 PolarHBondContact O-N 3.08Å; Q204-S274 PolarHBondContact OE1-OG 2.85Å
205S62.5Low78.6Confident13 Ų1368.7 Ų68.79%0.09138%0.379CS..SBendtrans-77.3131.3175.568.60000110.2V202 L203 M207V202-S205 WeakPolarHBondContact O-CB 3.19Å; V202-S205 PolarHBondContact O-N 3.01Å; V202-S205 PolarHBondContact O-OG 3.06Å; L203-S205 PolarHBondContact O-N 3.25Å; S205-M207 PolarHBondContact O-N 3.1Å; S205-M207 WeakPolarHBondContact OG-CG 3.41Å
206E59.4Low78.8Confident198 Ų19865.3 Ų65.393%0.92537%0.365SS*.  trans-69.458.2172.2-65.1178.4167.600110.6
207M63.9Low79.2Confident53 Ų5357.9 Ų57.926%0.26133%0.33SS..  trans-88.2131.1178.8-69.2-78.3126.500109.9S205 G209 G210 I212 Y216S205-M207 PolarHBondContact O-N 3.1Å; S205-M207 WeakPolarHBondContact OG-CG 3.41Å; M207-G209 PolarHBondContact O-N 3.44Å; M207-G209 VanDerWaalsContact O-N 3.08Å; M207-G210 PolarHBondContact O-N 3.37Å; M207-I212 HydrophobicContact CG-CD1 4.43Å; M207-Y216 HydrophobicContact CE-CD2 4.07Å; M207-Y216 HydrophobicContact SD-CD2 4.46Å
208D58Low79.6Confident160 Ų16057.4 Ų57.486%0.85633%0.326SS*.G310 helixtrans-53.6113.3178.8-80.1-33.9000111.5G210D208-G210 VanDerWaalsContact C-N 3.29Å; D208-G210 PolarHBondContact O-N 3.42Å
209G67.2Low79.9Confident82 Ų8257.7 Ų57.785%0.84533%0.329SS*.G310 helixtrans68.817.4172.500000115.9M207 R211M207-G209 PolarHBondContact O-N 3.44Å; M207-G209 VanDerWaalsContact O-N 3.08Å; G209-R211 VanDerWaalsContact C-N 3.31Å; G209-R211 PolarHBondContact O-N 3.37Å
210G77Confident80.5Confident39 Ų3954.8 Ų54.840%0.40231%0.314SS..G310 helixtrans69.225.7178.100000114.1V175 M207 D208V175-G210 WeakPolarHBondContact CG2-O 3.5Å; M207-G210 PolarHBondContact O-N 3.37Å; D208-G210 VanDerWaalsContact C-N 3.29Å; D208-G210 PolarHBondContact O-N 3.42Å
211R86.7Confident81.1Confident97 Ų9751.8 Ų51.837%0.36630%0.295SS..EExtended strand (participates in β ladder)trans-106149.2172.5-59.4-174.382.8123.9-0.9110.7T172 I173 G209T172-R211 PolarHBondContact OG1-NE 2.86Å; I173-R211 CarbonylContact O-C 3.49Å; I173-R211 WeakPolarHBondContact O-CA 3.34Å; G209-R211 VanDerWaalsContact C-N 3.31Å; G209-R211 PolarHBondContact O-N 3.37Å
212I90.5Very high81.7Confident2 Ų253.7 Ų53.71%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-103.9120.1-178.8-58.9-61000109.9T172 I173 V175 F178 V202 M207 Y216T172-I212 CarbonylContact C-O 3.58Å; T172-I212 VanDerWaalsContact CA-O 3.22Å; T172-I212 WeakPolarHBondContact CA-O 3.14Å; I173-I212 HydrophobicContact CG1-CB 4.16Å; I173-I212 PolarHBondContact N-O 3.44Å; I173-I212 PolarHBondContact O-N 3.17Å; V175-I212 HydrophobicContact CG2-CD1 4.41Å; V175-I212 HydrophobicContact CG2-CG1 4.19Å; F178-I212 HydrophobicContact CB-CB 4.47Å; F178-I212 HydrophobicContact CB-CG1 4.22Å; F178-I212 HydrophobicContact CD2-CG2 3.86Å; F178-I212 HydrophobicContact CE2-CG2 4.41Å; F178-I212 HydrophobicContact CG-CG1 4.37Å; F178-I212 HydrophobicContact CG-CG2 4.37Å; V202-I212 HydrophobicContact CG1-CD1 3.21Å; V202-I212 HydrophobicContact CG1-CG1 3.92Å; M207-I212 HydrophobicContact CG-CD1 4.43Å; I212-Y216 HydrophobicContact CD1-CD1 4.2Å; I212-Y216 HydrophobicContact CD1-CE1 4.31Å; I212-Y216 HydrophobicContact CG2-CD1 3.65Å; I212-Y216 HydrophobicContact CG2-CG 4.32Å
213T93.2Very high82.4Confident52 Ų5253.7 Ų53.732%0.31931%0.307SS..EExtended strand (participates in β ladder)trans-72.5152.7176.265.20000111.1T172 A215 Y216 Y217T172-T213 HydrophobicContact CG2-CG2 4.26Å; T213-A215 PolarHBondContact O-N 2.9Å; T213-Y216 PolarHBondContact O-N 3.12Å; T213-Y216 PolarHBondContact OG1-N 3.07Å; T213-Y217 PolarHBondContact O-N 3.25Å
214F94.3Very high83.1Confident78 Ų7849 Ų4934%0.34228%0.282SS..Hα-helixtrans-55.6-36.6173.4-178.8-111000112.9I159 F162 G171 Y217 M218I159-F214 HydrophobicContact CG1-CE2 4.33Å; I159-F214 HydrophobicContact CG1-CZ 4.03Å; I159-F214 HydrophobicContact CG2-CE2 4.46Å; I159-F214 HydrophobicContact CG2-CZ 4.35Å; F162-F214 HydrophobicContact CB-CD2 4.25Å; F162-F214 HydrophobicContact CB-CE2 4.34Å; F162-F214 HydrophobicContact CD1-CB 4.45Å; F162-F214 AromaticContact CD1-CD2 3.6Å; F162-F214 HydrophobicContact CD1-CD2 3.6Å; F162-F214 HydrophobicContact CD1-CE2 4.34Å; F162-F214 HydrophobicContact CD1-CG 4.42Å; F162-F214 AromaticContact CD2-CD2 3.9Å; F162-F214 HydrophobicContact CD2-CD2 3.9Å; F162-F214 HydrophobicContact CE1-CB 3.83Å; F162-F214 AromaticContact CE1-CD2 3.86Å; F162-F214 HydrophobicContact CE1-CD2 3.86Å; F162-F214 HydrophobicContact CE1-CG 4.26Å; F162-F214 HydrophobicContact CE2-CB 4.13Å; F162-F214 HydrophobicContact CE2-CD2 4.12Å; F162-F214 AromaticContact CG-CD2 3.63Å; F162-F214 HydrophobicContact CG-CD2 3.63Å; F162-F214 HydrophobicContact CG-CE2 4.21Å; F162-F214 HydrophobicContact CZ-CB 3.65Å; F162-F214 HydrophobicContact CZ-CD2 4.11Å; F162-F214 HydrophobicContact CZ-CG 4.39Å; G171-F214 PolarHBondContact O-N 3.12Å; F214-Y217 HydrophobicContact CD2-CD1 4.07Å; F214-Y217 HydrophobicContact CE2-CD1 4.14Å; F214-Y217 HydrophobicContact CE2-CE1 4.44Å; F214-Y217 WeakPolarHBondContact O-CB 3.38Å; F214-Y217 PolarHBondContact O-N 3.12Å; F214-M218 HydrophobicContact CD1-CG 4.35Å; F214-M218 HydrophobicContact CD2-CG 4.26Å; F214-M218 HydrophobicContact CE1-CG 3.85Å; F214-M218 HydrophobicContact CE2-CG 3.75Å; F214-M218 HydrophobicContact CE2-SD 4Å; F214-M218 HydrophobicContact CZ-CG 3.52Å; F214-M218 HydrophobicContact CZ-SD 3.96Å; F214-M218 WeakPolarHBondContact O-CG 3.26Å; F214-M218 PolarHBondContact O-N 3Å
215A93.4Very high83.9Confident62 Ų6247.3 Ų47.351%0.51228%0.279SS..Hα-helixtrans-64.1-44.5177.700000112.3T213 M218 A219T213-A215 PolarHBondContact O-N 2.9Å; A215-M218 PolarHBondContact O-N 3.18Å; A215-A219 VanDerWaalsContact O-CB 3.27Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.03Å
216Y92.7Very high85.1Confident1 Ų149.3 Ų49.30%0.00429%0.289CS..Hα-helixtrans-63.6-44.4175.1-176.7-85000111.1F178 M207 I212 T213 M218 A219 F220 M264 I268 Q271F178-Y216 HydrophobicContact CZ-CE1 4.47Å; M207-Y216 HydrophobicContact CE-CD2 4.07Å; M207-Y216 HydrophobicContact SD-CD2 4.46Å; I212-Y216 HydrophobicContact CD1-CD1 4.2Å; I212-Y216 HydrophobicContact CD1-CE1 4.31Å; I212-Y216 HydrophobicContact CG2-CD1 3.65Å; I212-Y216 HydrophobicContact CG2-CG 4.32Å; T213-Y216 PolarHBondContact O-N 3.12Å; T213-Y216 PolarHBondContact OG1-N 3.07Å; Y216-M218 PolarHBondContact O-N 2.64Å; Y216-A219 PolarHBondContact O-N 3.2Å; Y216-F220 HydrophobicContact CE1-CD2 4.36Å; Y216-F220 WeakPolarHBondContact O-CB 3.49Å; Y216-F220 PolarHBondContact O-N 3.24Å; Y216-M264 HydrophobicContact CD2-SD 4.29Å; Y216-I268 HydrophobicContact CD2-CD1 4Å; Y216-I268 HydrophobicContact CD2-CG1 4.18Å; Y216-I268 HydrophobicContact CE2-CD1 3.83Å; Y216-I268 HydrophobicContact CE2-CG1 3.58Å; Y216-I268 HydrophobicContact CG-CD1 4.44Å; Y216-Q271 PolarHBondContact OH-OE1 2.83Å
217Y93.4Very high86.5Confident0 Ų040 Ų400%025%0.245CC..Hα-helixtrans-55.5-49.4176.8167.4-105.6000112.5A158 F162 F178 I181 I182 T213 F214 F220 I221A158-Y217 VanDerWaalsContact C-OH 3.31Å; A158-Y217 WeakPolarHBondContact CA-OH 3.19Å; A158-Y217 HydrophobicContact CB-CE1 4.46Å; A158-Y217 WeakPolarHBondContact CB-OH 3.26Å; A158-Y217 WeakPolarHBondContact O-CE1 3.24Å; A158-Y217 PolarHBondContact O-OH 3.48Å; F162-Y217 HydrophobicContact CB-CD1 4.19Å; F162-Y217 HydrophobicContact CB-CE1 3.84Å; F162-Y217 AromaticContact CD2-CD1 3.58Å; F162-Y217 HydrophobicContact CD2-CD1 3.58Å; F162-Y217 HydrophobicContact CD2-CD2 4.32Å; F162-Y217 HydrophobicContact CD2-CE1 4.06Å; F162-Y217 AromaticContact CD2-CG 3.71Å; F162-Y217 HydrophobicContact CD2-CG 3.71Å; F162-Y217 HydrophobicContact CE2-CD1 4.35Å; F162-Y217 HydrophobicContact CE2-CG 4.22Å; F162-Y217 HydrophobicContact CG-CD1 4.19Å; F162-Y217 HydrophobicContact CG-CE1 4.34Å; F178-Y217 AromaticContact CD2-CD2 3.76Å; F178-Y217 HydrophobicContact CD2-CD2 3.76Å; F178-Y217 AromaticContact CE2-CD2 3.84Å; F178-Y217 HydrophobicContact CE2-CD2 3.84Å; I181-Y217 HydrophobicContact CG2-CE2 3.82Å; I181-Y217 VanDerWaalsContact CG2-OH 3.32Å; I181-Y217 WeakPolarHBondContact CG2-OH 3.21Å; I182-Y217 HydrophobicContact CD1-CD2 4.23Å; I182-Y217 HydrophobicContact CD1-CE2 3.84Å; I182-Y217 HydrophobicContact CG1-CE2 4.4Å; T213-Y217 PolarHBondContact O-N 3.25Å; F214-Y217 HydrophobicContact CD2-CD1 4.07Å; F214-Y217 HydrophobicContact CE2-CD1 4.14Å; F214-Y217 HydrophobicContact CE2-CE1 4.44Å; F214-Y217 WeakPolarHBondContact O-CB 3.38Å; F214-Y217 PolarHBondContact O-N 3.12Å; Y217-F220 WeakPolarHBondContact O-CB 3.33Å; Y217-F220 PolarHBondContact O-N 2.91Å; Y217-I221 HydrophobicContact CD1-CD1 4.47Å; Y217-I221 HydrophobicContact CD2-CD1 4.24Å; Y217-I221 HydrophobicContact CE1-CD1 3.87Å; Y217-I221 HydrophobicContact CE2-CD1 3.61Å; Y217-I221 HydrophobicContact CE2-CG1 4.5Å; Y217-I221 VanDerWaalsContact CZ-CD1 3.41Å; Y217-I221 PolarHBondContact O-N 3.21Å
218M94Very high87.4Confident37 Ų3740.7 Ų40.718%0.18225%0.248CC..Hα-helixtrans-67.9-41.6178.2-70.5-54.7-57.900112.3I159 F214 A215 Y216 F220 I221 T222I159-M218 HydrophobicContact CG1-SD 4.19Å; F214-M218 HydrophobicContact CD1-CG 4.35Å; F214-M218 HydrophobicContact CD2-CG 4.26Å; F214-M218 HydrophobicContact CE1-CG 3.85Å; F214-M218 HydrophobicContact CE2-CG 3.75Å; F214-M218 HydrophobicContact CE2-SD 4Å; F214-M218 HydrophobicContact CZ-CG 3.52Å; F214-M218 HydrophobicContact CZ-SD 3.96Å; F214-M218 WeakPolarHBondContact O-CG 3.26Å; F214-M218 PolarHBondContact O-N 3Å; A215-M218 PolarHBondContact O-N 3.18Å; Y216-M218 PolarHBondContact O-N 2.64Å; M218-F220 VanDerWaalsContact C-N 3.26Å; M218-F220 PolarHBondContact O-N 2.95Å; M218-I221 PolarHBondContact O-N 2.87Å; M218-T222 WeakPolarHBondContact O-CB 3.18Å; M218-T222 PolarHBondContact O-N 3.16Å; M218-T222 PolarHBondContact O-OG1 3.27Å
219A93Very high88.8Confident8 Ų834.5 Ų34.57%0.06622%0.215CC..Hα-helixtrans-59.1-38.8175.800000111.7A215 Y216 L223 M264 E265 I268A215-A219 VanDerWaalsContact O-CB 3.27Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.03Å; Y216-A219 PolarHBondContact O-N 3.2Å; A219-L223 VanDerWaalsContact O-CB 3.28Å; A219-L223 WeakPolarHBondContact O-CB 3.33Å; A219-L223 PolarHBondContact O-N 3.33Å; A219-M264 HydrophobicContact CB-CB 4.18Å; A219-M264 HydrophobicContact CB-CG 3.73Å; A219-E265 HydrophobicContact CB-CG 4.04Å; A219-E265 WeakPolarHBondContact O-CG 3.34Å; A219-I268 HydrophobicContact CB-CD1 3.7Å
220F92.9Very high89.9Confident0 Ų030.7 Ų30.70%018%0.175CC..Hα-helixtrans-61.7-47.8176.2-168.7-86.7000111.8F178 I182 L190 L198 Y216 Y217 M218 L224 I268 L272F178-F220 HydrophobicContact CE2-CB 4.4Å; F178-F220 HydrophobicContact CE2-CD1 4.48Å; F178-F220 HydrophobicContact CE2-CG 4.37Å; F178-F220 HydrophobicContact CZ-CB 4.29Å; F178-F220 AromaticContact CZ-CD1 3.84Å; F178-F220 HydrophobicContact CZ-CD1 3.84Å; F178-F220 HydrophobicContact CZ-CD2 4.04Å; F178-F220 HydrophobicContact CZ-CE1 4.15Å; F178-F220 HydrophobicContact CZ-CE2 4.36Å; F178-F220 AromaticContact CZ-CG 3.79Å; F178-F220 HydrophobicContact CZ-CG 3.79Å; F178-F220 HydrophobicContact CZ-CZ 4.43Å; I182-F220 HydrophobicContact CD1-CD1 4.14Å; I182-F220 HydrophobicContact CG2-CE1 4.02Å; L190-F220 HydrophobicContact CD2-CE1 4.12Å; L190-F220 HydrophobicContact CD2-CZ 4.47Å; L198-F220 HydrophobicContact CD1-CE1 4.09Å; L198-F220 HydrophobicContact CD1-CE2 4.29Å; L198-F220 HydrophobicContact CD1-CZ 3.51Å; Y216-F220 HydrophobicContact CE1-CD2 4.36Å; Y216-F220 WeakPolarHBondContact O-CB 3.49Å; Y216-F220 PolarHBondContact O-N 3.24Å; Y217-F220 WeakPolarHBondContact O-CB 3.33Å; Y217-F220 PolarHBondContact O-N 2.91Å; M218-F220 VanDerWaalsContact C-N 3.26Å; M218-F220 PolarHBondContact O-N 2.95Å; F220-L224 HydrophobicContact CD1-CD1 3.81Å; F220-L224 HydrophobicContact CD1-CG 4.47Å; F220-L224 HydrophobicContact CE1-CD1 3.35Å; F220-L224 HydrophobicContact CE1-CG 4.25Å; F220-L224 HydrophobicContact CZ-CD1 4.06Å; F220-L224 WeakPolarHBondContact O-CG 3.46Å; F220-L224 PolarHBondContact O-N 3.27Å; F220-I268 HydrophobicContact CB-CD1 4.16Å; F220-I268 HydrophobicContact CD2-CG2 3.47Å; F220-I268 VanDerWaalsContact CD2-CG2 3.47Å; F220-I268 HydrophobicContact CE2-CG2 3.96Å; F220-I268 HydrophobicContact CG-CG2 4.37Å; F220-L272 HydrophobicContact CE2-CD2 4.14Å; F220-L272 HydrophobicContact CZ-CD2 4.3Å
221I91.9Very high90.4Very high1 Ų129.7 Ų29.71%0.00516%0.159CC..Hα-helixtrans-65.6-45.5179-65.6174.8000111.4A158 I182 K186 Y217 M218 L223 L224 T225A158-I221 HydrophobicContact CB-CD1 3.9Å; I182-I221 HydrophobicContact CD1-CD1 3.98Å; I182-I221 HydrophobicContact CD1-CG1 3.71Å; K186-I221 HydrophobicContact CD-CG2 4.41Å; K186-I221 HydrophobicContact CG-CD1 4.27Å; K186-I221 HydrophobicContact CG-CG1 4.35Å; Y217-I221 HydrophobicContact CD1-CD1 4.47Å; Y217-I221 HydrophobicContact CD2-CD1 4.24Å; Y217-I221 HydrophobicContact CE1-CD1 3.87Å; Y217-I221 HydrophobicContact CE2-CD1 3.61Å; Y217-I221 HydrophobicContact CE2-CG1 4.5Å; Y217-I221 VanDerWaalsContact CZ-CD1 3.41Å; Y217-I221 PolarHBondContact O-N 3.21Å; M218-I221 PolarHBondContact O-N 2.87Å; I221-L223 PolarHBondContact O-N 3.41Å; I221-L224 PolarHBondContact O-N 2.86Å; I221-T225 WeakPolarHBondContact O-CB 3.22Å; I221-T225 PolarHBondContact O-N 3.16Å; I221-T225 PolarHBondContact O-OG1 3.24Å
222T91.3Very high90.3Very high41 Ų4132.8 Ų32.825%0.25217%0.171SC..Hα-helixtrans-62.6-42.7-179.9-60.30000111.3M218 L224 T225 N226M218-T222 WeakPolarHBondContact O-CB 3.18Å; M218-T222 PolarHBondContact O-N 3.16Å; M218-T222 PolarHBondContact O-OG1 3.27Å; T222-L224 PolarHBondContact O-N 3.4Å; T222-T225 PolarHBondContact O-N 2.8Å; T222-N226 WeakPolarHBondContact CG2-ND2 3.31Å; T222-N226 WeakPolarHBondContact O-CB 3.31Å; T222-N226 PolarHBondContact O-N 3.42Å; T222-N226 PolarHBondContact O-ND2 3.45Å
223L91.9Very high90.1Very high1 Ų132.7 Ų32.71%0.00517%0.171CC..Hα-helixtrans-56.4-52.9175.6174.268.3000111A219 I221 T225 N226 M227 V230 E265 I268 L269 L272A219-L223 VanDerWaalsContact O-CB 3.28Å; A219-L223 WeakPolarHBondContact O-CB 3.33Å; A219-L223 PolarHBondContact O-N 3.33Å; I221-L223 PolarHBondContact O-N 3.41Å; L223-T225 VanDerWaalsContact C-N 3.28Å; L223-T225 PolarHBondContact O-N 3.17Å; L223-N226 CarbonylContact O-C 3.52Å; L223-N226 PolarHBondContact O-N 2.86Å; L223-N226 VanDerWaalsContact O-N 3.16Å; L223-M227 PolarHBondContact O-N 3.08Å; L223-V230 HydrophobicContact CD1-CG2 4.02Å; L223-E265 HydrophobicContact CB-CB 4.2Å; L223-E265 HydrophobicContact CB-CG 4.11Å; L223-E265 HydrophobicContact CD1-CB 4.23Å; L223-E265 WeakPolarHBondContact CD2-O 3.41Å; L223-I268 HydrophobicContact CD2-CB 3.87Å; L223-I268 HydrophobicContact CD2-CG2 3.56Å; L223-L269 HydrophobicContact CD1-CB 4.06Å; L223-L269 HydrophobicContact CD1-CD1 4.34Å; L223-L269 HydrophobicContact CD2-CB 3.98Å; L223-L272 HydrophobicContact CD2-CD1 3.91Å
224L89.2Confident89.8Confident7 Ų730.3 Ų30.34%0.03716%0.156CC..Hα-helixtrans-63.8-35.9-176.9-66.6178.4000112.2L189 L190 I194 F220 I221 T222 N226 M227 L272L189-L224 HydrophobicContact CB-CB 4Å; L189-L224 HydrophobicContact CB-CD1 4.11Å; L189-L224 HydrophobicContact CD1-CB 4.28Å; L190-L224 HydrophobicContact CD2-CD1 3.48Å; L190-L224 VanDerWaalsContact CD2-CD1 3.48Å; I194-L224 HydrophobicContact CD1-CD2 4.4Å; F220-L224 HydrophobicContact CD1-CD1 3.81Å; F220-L224 HydrophobicContact CD1-CG 4.47Å; F220-L224 HydrophobicContact CE1-CD1 3.35Å; F220-L224 HydrophobicContact CE1-CG 4.25Å; F220-L224 HydrophobicContact CZ-CD1 4.06Å; F220-L224 WeakPolarHBondContact O-CG 3.46Å; F220-L224 PolarHBondContact O-N 3.27Å; I221-L224 PolarHBondContact O-N 2.86Å; T222-L224 PolarHBondContact O-N 3.4Å; L224-N226 VanDerWaalsContact C-N 3.34Å; L224-M227 WeakPolarHBondContact O-CG 3Å; L224-L272 HydrophobicContact CD2-CD1 4Å
225T86.6Confident89.3Confident62 Ų6229 Ų2938%0.3815%0.152SC..Hα-helixtrans-69-33.8176.8-530000111.8I221 T222 L223I221-T225 WeakPolarHBondContact O-CB 3.22Å; I221-T225 PolarHBondContact O-N 3.16Å; I221-T225 PolarHBondContact O-OG1 3.24Å; T222-T225 PolarHBondContact O-N 2.8Å; L223-T225 VanDerWaalsContact C-N 3.28Å; L223-T225 PolarHBondContact O-N 3.17Å
226N87.3Confident88.8Confident54 Ų5428.1 Ų28.129%0.28914%0.142SC..THydrogen-bonded Turntrans-99.823.9-176-69.1-32.4000113.7T222 L223 L224 E228 L229 V230T222-N226 WeakPolarHBondContact CG2-ND2 3.31Å; T222-N226 WeakPolarHBondContact O-CB 3.31Å; T222-N226 PolarHBondContact O-N 3.42Å; T222-N226 PolarHBondContact O-ND2 3.45Å; L223-N226 CarbonylContact O-C 3.52Å; L223-N226 PolarHBondContact O-N 2.86Å; L223-N226 VanDerWaalsContact O-N 3.16Å; L224-N226 VanDerWaalsContact C-N 3.34Å; N226-E228 PolarHBondContact O-N 3.33Å; N226-L229 HydrophobicContact CB-CB 4.44Å; N226-L229 WeakPolarHBondContact O-CB 3.44Å; N226-L229 PolarHBondContact O-N 2.91Å; N226-V230 PolarHBondContact O-N 3.33Å; N226-V230 VanDerWaalsContact O-N 3.13Å
227M87.8Confident88.4Confident2 Ų232.6 Ų32.61%0.0116%0.159CC..Hα-helixtrans-60.5-31.8-177.2-78.5-87.244.800113.8L223 L224 L229 V230 K231 L269 L287 I290 T291L223-M227 PolarHBondContact O-N 3.08Å; L224-M227 WeakPolarHBondContact O-CG 3Å; M227-L229 VanDerWaalsContact C-N 3.33Å; M227-L229 PolarHBondContact O-N 2.89Å; M227-V230 HydrophobicContact CE-CB 3.42Å; M227-V230 VanDerWaalsContact CE-CB 3.42Å; M227-V230 HydrophobicContact CE-CG1 3.55Å; M227-V230 HydrophobicContact CE-CG2 3.75Å; M227-V230 WeakPolarHBondContact O-CB 3.2Å; M227-V230 PolarHBondContact O-N 2.72Å; M227-K231 WeakPolarHBondContact O-CG 3.44Å; M227-K231 PolarHBondContact O-N 2.73Å; M227-L269 HydrophobicContact CE-CD1 3.85Å; M227-L269 HydrophobicContact SD-CD1 4.39Å; M227-L287 HydrophobicContact CE-CD2 4.2Å; M227-I290 HydrophobicContact SD-CD1 3.98Å; M227-I290 HydrophobicContact SD-CG1 4.14Å; M227-T291 HydrophobicContact CB-CG2 3.63Å; M227-T291 HydrophobicContact CG-CG2 4.17Å
228E83.6Confident87.8Confident68 Ų6833.2 Ų33.232%0.31816%0.163SC..Hα-helixtrans-65.8-35.1173.9-74.7-56.1128.800112.8N226 K231 R232N226-E228 PolarHBondContact O-N 3.33Å; E228-K231 PolarHBondContact O-N 2.87Å; E228-K231 WeakPolarHBondContact OE1-CD 3.18Å; E228-K231 IonicContact OE1-NZ 2.71Å; E228-K231 PolarHBondContact OE1-NZ 2.91Å; E228-R232 VanDerWaalsContact O-CG 3.31Å; E228-R232 WeakPolarHBondContact O-CG 3.3Å; E228-R232 PolarHBondContact O-N 3.4Å
229L86.8Confident86.9Confident31 Ų3138.7 Ų38.716%0.16219%0.193CC..Hα-helixtrans-66.3-44.3172.8-177.162.2000110.3N226 M227 K231 R232 V233 F258 Q260 I261N226-L229 HydrophobicContact CB-CB 4.44Å; N226-L229 WeakPolarHBondContact O-CB 3.44Å; N226-L229 PolarHBondContact O-N 2.91Å; M227-L229 VanDerWaalsContact C-N 3.33Å; M227-L229 PolarHBondContact O-N 2.89Å; L229-K231 VanDerWaalsContact C-N 3.32Å; L229-K231 PolarHBondContact O-N 3.38Å; L229-R232 CarbonylContact O-C 3.4Å; L229-R232 WeakPolarHBondContact O-CA 3.26Å; L229-R232 WeakPolarHBondContact O-CB 3.18Å; L229-R232 PolarHBondContact O-N 3.27Å; L229-V233 HydrophobicContact CG-CG2 4.5Å; L229-V233 VanDerWaalsContact O-CG2 3.29Å; L229-V233 WeakPolarHBondContact O-CG2 3.41Å; L229-V233 PolarHBondContact O-N 3.4Å; L229-F258 HydrophobicContact CD1-CD1 3.84Å; L229-F258 HydrophobicContact CD1-CE1 4.47Å; L229-F258 HydrophobicContact CD1-CG 4.43Å; L229-Q260 HydrophobicContact CD2-CB 3.73Å; L229-Q260 HydrophobicContact CD2-CG 4.36Å; L229-I261 HydrophobicContact CD2-CD1 4.25Å; L229-I261 HydrophobicContact CD2-CG1 3.98Å; L229-I261 HydrophobicContact CG-CD1 4.14Å; L229-I261 HydrophobicContact CG-CG1 4.41Å
230V89.6Confident85.8Confident1 Ų140.3 Ų40.31%0.00621%0.21CC..Hα-helixtrans-58.3-43.6176.2176.60000111.3L223 N226 M227 R232 V233 Y234 I261 L269 L287L223-V230 HydrophobicContact CD1-CG2 4.02Å; N226-V230 PolarHBondContact O-N 3.33Å; N226-V230 VanDerWaalsContact O-N 3.13Å; M227-V230 HydrophobicContact CE-CB 3.42Å; M227-V230 VanDerWaalsContact CE-CB 3.42Å; M227-V230 HydrophobicContact CE-CG1 3.55Å; M227-V230 HydrophobicContact CE-CG2 3.75Å; M227-V230 WeakPolarHBondContact O-CB 3.2Å; M227-V230 PolarHBondContact O-N 2.72Å; V230-R232 VanDerWaalsContact C-N 3.33Å; V230-R232 PolarHBondContact O-N 2.89Å; V230-V233 PolarHBondContact O-N 3.08Å; V230-Y234 PolarHBondContact O-N 3.47Å; V230-I261 HydrophobicContact CG2-CD1 3.95Å; V230-L269 HydrophobicContact CG1-CD1 4.3Å; V230-L269 HydrophobicContact CG1-CD2 3.59Å; V230-L287 HydrophobicContact CG1-CD1 4.31Å; V230-L287 HydrophobicContact CG1-CD2 3.96Å
231K87.7Confident84.6Confident19 Ų1944 Ų448%0.08323%0.23CC..Hα-helixtrans-59.7-41.3173.4-73.5176-166.5166.80111.9M227 E228 L229 Y234 L235 Y284 L287 T291M227-K231 WeakPolarHBondContact O-CG 3.44Å; M227-K231 PolarHBondContact O-N 2.73Å; E228-K231 PolarHBondContact O-N 2.87Å; E228-K231 WeakPolarHBondContact OE1-CD 3.18Å; E228-K231 IonicContact OE1-NZ 2.71Å; E228-K231 PolarHBondContact OE1-NZ 2.91Å; L229-K231 VanDerWaalsContact C-N 3.32Å; L229-K231 PolarHBondContact O-N 3.38Å; K231-Y234 PolarHBondContact O-N 2.66Å; K231-L235 VanDerWaalsContact O-CG 3.32Å; K231-L235 WeakPolarHBondContact O-CG 3.42Å; K231-L235 PolarHBondContact O-N 3.47Å; K231-Y284 HydrophobicContact CB-CE2 3.96Å; K231-Y284 HydrophobicContact CD-CE2 4.44Å; K231-Y284 HydrophobicContact CG-CE2 4.11Å; K231-L287 HydrophobicContact CG-CB 4.13Å; K231-L287 HydrophobicContact CG-CD1 4.21Å; K231-T291 WeakPolarHBondContact CE-OG1 3.49Å; K231-T291 PolarHBondContact NZ-OG1 2.88Å
232R84.7Confident84Confident162 Ų16246.9 Ų46.961%0.61125%0.248SC*.Hα-helixtrans-65.4-42.9175.8-71.4173.8-169.5-177.85.2112.2E228 L229 V230 Y234 L235 S236E228-R232 VanDerWaalsContact O-CG 3.31Å; E228-R232 WeakPolarHBondContact O-CG 3.3Å; E228-R232 PolarHBondContact O-N 3.4Å; L229-R232 CarbonylContact O-C 3.4Å; L229-R232 WeakPolarHBondContact O-CA 3.26Å; L229-R232 WeakPolarHBondContact O-CB 3.18Å; L229-R232 PolarHBondContact O-N 3.27Å; V230-R232 VanDerWaalsContact C-N 3.33Å; V230-R232 PolarHBondContact O-N 2.89Å; R232-Y234 VanDerWaalsContact C-N 3.33Å; R232-Y234 PolarHBondContact O-N 2.99Å; R232-L235 PolarHBondContact O-N 3.17Å; R232-S236 WeakPolarHBondContact O-CB 3.38Å; R232-S236 PolarHBondContact O-N 3.2Å
233V86.3Confident83.3Confident0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-58.9-46.7175.1178.50000110.4L229 V230 L235 S236 R237 I251 E254 A255 F258 I261L229-V233 HydrophobicContact CG-CG2 4.5Å; L229-V233 VanDerWaalsContact O-CG2 3.29Å; L229-V233 WeakPolarHBondContact O-CG2 3.41Å; L229-V233 PolarHBondContact O-N 3.4Å; V230-V233 PolarHBondContact O-N 3.08Å; V233-L235 PolarHBondContact O-N 3.25Å; V233-S236 WeakPolarHBondContact O-CB 3.4Å; V233-S236 PolarHBondContact O-N 3.33Å; V233-R237 PolarHBondContact O-N 3.39Å; V233-I251 HydrophobicContact CG1-CG2 4.21Å; V233-E254 HydrophobicContact CG1-CB 3.87Å; V233-E254 HydrophobicContact CG1-CG 3.89Å; V233-A255 HydrophobicContact CG1-CB 4.09Å; V233-F258 HydrophobicContact CB-CD2 4.23Å; V233-F258 HydrophobicContact CB-CE2 4.38Å; V233-F258 HydrophobicContact CG1-CD2 4.24Å; V233-F258 HydrophobicContact CG1-CE2 4.48Å; V233-F258 HydrophobicContact CG2-CB 3.99Å; V233-F258 HydrophobicContact CG2-CD1 4.33Å; V233-F258 HydrophobicContact CG2-CD2 3.39Å; V233-F258 HydrophobicContact CG2-CE2 3.87Å; V233-F258 HydrophobicContact CG2-CG 3.64Å; V233-I261 HydrophobicContact CG2-CD1 3.66Å
234Y87.2Confident82.8Confident1 Ų154.1 Ų54.10%0.00428%0.28CS..Hα-helixtrans-58.1-47.2175.7178.2-75.9000111.9V230 K231 R232 S236 R237 T238 T242 V244 L246 I251 T283 Y284 L287V230-Y234 PolarHBondContact O-N 3.47Å; K231-Y234 PolarHBondContact O-N 2.66Å; R232-Y234 VanDerWaalsContact C-N 3.33Å; R232-Y234 PolarHBondContact O-N 2.99Å; Y234-S236 VanDerWaalsContact C-N 3.34Å; Y234-S236 PolarHBondContact O-N 3.46Å; Y234-R237 PolarHBondContact O-N 3.38Å; Y234-T238 HydrophobicContact CD1-CG2 4.22Å; Y234-T238 HydrophobicContact CE1-CG2 3.81Å; Y234-T238 WeakPolarHBondContact O-CG2 3.31Å; Y234-T238 PolarHBondContact O-N 2.85Å; Y234-T238 VanDerWaalsContact O-N 3.1Å; Y234-T238 PolarHBondContact O-OG1 3.31Å; Y234-T242 PolarHBondContact OH-O 3.4Å; Y234-T242 VanDerWaalsContact OH-O 3.13Å; Y234-V244 PolarHBondContact OH-O 2.82Å; Y234-L246 HydrophobicContact CD2-CD1 3.69Å; Y234-L246 HydrophobicContact CD2-CG 4.26Å; Y234-L246 HydrophobicContact CE2-CB 4.37Å; Y234-L246 HydrophobicContact CE2-CD1 3.93Å; Y234-L246 HydrophobicContact CE2-CG 4.01Å; Y234-L246 HydrophobicContact CG-CD1 4.27Å; Y234-I251 HydrophobicContact CD2-CD1 4.35Å; Y234-T283 VanDerWaalsContact OH-CA 3.3Å; Y234-T283 WeakPolarHBondContact OH-CA 3.27Å; Y234-Y284 AromaticContact CD1-CD2 3.87Å; Y234-Y284 HydrophobicContact CD1-CD2 3.87Å; Y234-Y284 HydrophobicContact CE1-CD2 4.2Å; Y234-Y284 HydrophobicContact CE1-CG 4.39Å; Y234-Y284 PolarHBondContact OH-N 3.31Å; Y234-L287 HydrophobicContact CD2-CD1 4.01Å; Y234-L287 HydrophobicContact CG-CD1 3.93Å
235L83.5Confident82.8Confident50 Ų5059.3 Ų59.326%0.26230%0.302SS..Hα-helixtrans-67.3-34.8-179.5-70.9173.6000112.3K231 R232 V233 T238 N239 G240 T242 Y284K231-L235 VanDerWaalsContact O-CG 3.32Å; K231-L235 WeakPolarHBondContact O-CG 3.42Å; K231-L235 PolarHBondContact O-N 3.47Å; R232-L235 PolarHBondContact O-N 3.17Å; V233-L235 PolarHBondContact O-N 3.25Å; L235-T238 WeakPolarHBondContact CA-OG1 3.49Å; L235-T238 PolarHBondContact O-N 2.98Å; L235-T238 PolarHBondContact O-OG1 2.88Å; L235-N239 PolarHBondContact O-N 2.72Å; L235-G240 PolarHBondContact O-N 3.34Å; L235-T242 HydrophobicContact CD2-CG2 4.17Å; L235-Y284 HydrophobicContact CD1-CD2 4.42Å; L235-Y284 HydrophobicContact CD1-CE2 3.67Å; L235-Y284 HydrophobicContact CD2-CD2 3.84Å; L235-Y284 HydrophobicContact CD2-CE2 3.9Å; L235-Y284 HydrophobicContact CG-CD2 3.99Å; L235-Y284 HydrophobicContact CG-CE2 3.72Å
236S83.5Confident82.9Confident45 Ų4556.4 Ų56.432%0.31528%0.284SS..Hα-helixtrans-58.9-51.9172.2-173.80000110.5R232 V233 Y234 T238 N239 E254R232-S236 WeakPolarHBondContact O-CB 3.38Å; R232-S236 PolarHBondContact O-N 3.2Å; V233-S236 WeakPolarHBondContact O-CB 3.4Å; V233-S236 PolarHBondContact O-N 3.33Å; Y234-S236 VanDerWaalsContact C-N 3.34Å; Y234-S236 PolarHBondContact O-N 3.46Å; S236-T238 VanDerWaalsContact C-N 3.26Å; S236-T238 PolarHBondContact O-N 3.01Å; S236-N239 PolarHBondContact O-N 3.35Å; S236-E254 PolarHBondContact OG-OE1 2.86Å
237R84Confident83.2Confident95 Ų9556.3 Ų56.336%0.35829%0.286SS..Hα-helixtrans-63.5-31.1-178.7-176.555.6-174.281.56.2113.5V233 Y234 L246 E250 E254V233-R237 PolarHBondContact O-N 3.39Å; Y234-R237 PolarHBondContact O-N 3.38Å; R237-L246 HydrophobicContact CB-CD1 3.93Å; R237-L246 HydrophobicContact CG-CD1 3.75Å; R237-L246 HydrophobicContact CG-CD2 4.02Å; R237-E250 IonicContact NH2-OE1 3.33Å; R237-E254 HydrophobicContact CB-CB 3.9Å; R237-E254 HydrophobicContact CB-CG 3.83Å; R237-E254 HydrophobicContact CG-CB 4.32Å
238T80.3Confident83.4Confident12 Ų1259.9 Ų59.97%0.07430%0.301CS..Hα-helixtrans-98.42.2-175.2580000113.9Y234 L235 S236 G240 N241 V244 L246Y234-T238 HydrophobicContact CD1-CG2 4.22Å; Y234-T238 HydrophobicContact CE1-CG2 3.81Å; Y234-T238 WeakPolarHBondContact O-CG2 3.31Å; Y234-T238 PolarHBondContact O-N 2.85Å; Y234-T238 VanDerWaalsContact O-N 3.1Å; Y234-T238 PolarHBondContact O-OG1 3.31Å; L235-T238 WeakPolarHBondContact CA-OG1 3.49Å; L235-T238 PolarHBondContact O-N 2.98Å; L235-T238 PolarHBondContact O-OG1 2.88Å; S236-T238 VanDerWaalsContact C-N 3.26Å; S236-T238 PolarHBondContact O-N 3.01Å; T238-G240 PolarHBondContact O-N 2.59Å; T238-N241 WeakPolarHBondContact CB-O 3.11Å; T238-N241 WeakPolarHBondContact O-CB 2.97Å; T238-N241 PolarHBondContact O-N 2.88Å; T238-N241 VanDerWaalsContact O-N 3.1Å; T238-N241 PolarHBondContact OG1-O 3.34Å; T238-V244 HydrophobicContact CG2-CB 3.72Å; T238-V244 HydrophobicContact CG2-CG1 4Å; T238-V244 HydrophobicContact CG2-CG2 4.43Å; T238-L246 HydrophobicContact CG2-CD1 3.81Å; T238-L246 HydrophobicContact CG2-CD2 4.1Å; T238-L246 HydrophobicContact CG2-CG 3.99Å
239N76.5Confident83.7Confident153 Ų15363.6 Ų63.682%0.81832%0.319SS*.THydrogen-bonded Turntrans50.243.9-172.3-63.4-49.3000112.3L235 S236 N241L235-N239 PolarHBondContact O-N 2.72Å; S236-N239 PolarHBondContact O-N 3.35Å; N239-N241 VanDerWaalsContact C-N 3.32Å; N239-N241 PolarHBondContact O-N 3.36Å
240G69.4Low83.9Confident41 Ų4164.9 Ų64.942%0.42332%0.324SS..THydrogen-bonded Turntrans79.43.3179.800000115.6L235 T238 T242L235-G240 PolarHBondContact O-N 3.34Å; T238-G240 PolarHBondContact O-N 2.59Å; G240-T242 PolarHBondContact O-N 2.94Å
241N68.5Low83.9Confident78 Ų7864.9 Ų64.942%0.41732%0.324SS..  trans-82105.1178.5-171.1-12.8000112T238 N239 K243 V244T238-N241 WeakPolarHBondContact CB-O 3.11Å; T238-N241 WeakPolarHBondContact O-CB 2.97Å; T238-N241 PolarHBondContact O-N 2.88Å; T238-N241 VanDerWaalsContact O-N 3.1Å; T238-N241 PolarHBondContact OG1-O 3.34Å; N239-N241 VanDerWaalsContact C-N 3.32Å; N239-N241 PolarHBondContact O-N 3.36Å; N241-K243 PolarHBondContact O-N 2.99Å; N241-K243 VanDerWaalsContact O-N 3.17Å; N241-K243 PolarHBondContact OD1-N 3.43Å; N241-K243 VanDerWaalsContact OD1-N 3.12Å; N241-V244 HydrophobicContact CB-CG2 3.84Å; N241-V244 WeakPolarHBondContact ND2-CG2 3.48Å
242T77.7Confident84Confident62 Ų6266 Ų6638%0.3833%0.331SS..THydrogen-bonded Turntrans-68.8-13.3-176.456.90000114.9Y234 L235 G240 Y284Y234-T242 PolarHBondContact OH-O 3.4Å; Y234-T242 VanDerWaalsContact OH-O 3.13Å; L235-T242 HydrophobicContact CD2-CG2 4.17Å; G240-T242 PolarHBondContact O-N 2.94Å; T242-Y284 HydrophobicContact CG2-CD1 3.79Å; T242-Y284 HydrophobicContact CG2-CE1 4.35Å; T242-Y284 HydrophobicContact CG2-CG 3.9Å; T242-Y284 WeakPolarHBondContact O-CB 3.28Å; T242-Y284 PolarHBondContact O-N 2.68Å
243K76.7Confident84.2Confident139 Ų13963 Ų6360%0.60433%0.327SS*.THydrogen-bonded Turntrans-98.7-8.5-173.8-60.7-177.8-175.2173.70114.5N241 K245 D426N241-K243 PolarHBondContact O-N 2.99Å; N241-K243 VanDerWaalsContact O-N 3.17Å; N241-K243 PolarHBondContact OD1-N 3.43Å; N241-K243 VanDerWaalsContact OD1-N 3.12Å; K243-K245 PolarHBondContact O-N 3.28Å; K243-D426 IonicContact NZ-OD2 3.89Å; K243-D426 PolarHBondContact NZ-OD2 3.19Å
244V81.3Confident84.3Confident54 Ų5463.8 Ų63.833%0.32733%0.33SS..  trans-73.9116-176.3175.60000109.9Y234 T238 N241 L246Y234-V244 PolarHBondContact OH-O 2.82Å; T238-V244 HydrophobicContact CG2-CB 3.72Å; T238-V244 HydrophobicContact CG2-CG1 4Å; T238-V244 HydrophobicContact CG2-CG2 4.43Å; N241-V244 HydrophobicContact CB-CG2 3.84Å; N241-V244 WeakPolarHBondContact ND2-CG2 3.48Å; V244-L246 HydrophobicContact CG1-CD2 3.94Å; V244-L246 PolarHBondContact O-N 2.91Å
245K90.1Very high84.3Confident116 Ų11664 Ų6450%0.50433%0.332SS..  trans-67.2126.9172.6-64.7-179173-163.70109.4K243 D279 C281 T283K243-K245 PolarHBondContact O-N 3.28Å; K245-D279 IonicContact NZ-OD2 3.97Å; K245-D279 PolarHBondContact NZ-OD2 2.98Å; K245-C281 HydrophobicContact CB-CB 4.03Å; K245-T283 HydrophobicContact CG-CG2 3.72Å
246L89Confident84.4Confident1 Ų169 Ų691%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-112.6140.8174.2-64.9-175.7000111.2Y234 R237 T238 V244 E250 I251 C281 V282Y234-L246 HydrophobicContact CD2-CD1 3.69Å; Y234-L246 HydrophobicContact CD2-CG 4.26Å; Y234-L246 HydrophobicContact CE2-CB 4.37Å; Y234-L246 HydrophobicContact CE2-CD1 3.93Å; Y234-L246 HydrophobicContact CE2-CG 4.01Å; Y234-L246 HydrophobicContact CG-CD1 4.27Å; R237-L246 HydrophobicContact CB-CD1 3.93Å; R237-L246 HydrophobicContact CG-CD1 3.75Å; R237-L246 HydrophobicContact CG-CD2 4.02Å; T238-L246 HydrophobicContact CG2-CD1 3.81Å; T238-L246 HydrophobicContact CG2-CD2 4.1Å; T238-L246 HydrophobicContact CG2-CG 3.99Å; V244-L246 HydrophobicContact CG1-CD2 3.94Å; V244-L246 PolarHBondContact O-N 2.91Å; L246-E250 VanDerWaalsContact CA-OE2 3.29Å; L246-E250 WeakPolarHBondContact CA-OE2 3.35Å; L246-E250 HydrophobicContact CB-CB 4.42Å; L246-E250 HydrophobicContact CD2-CB 4.25Å; L246-I251 HydrophobicContact CB-CD1 3.99Å; L246-I251 HydrophobicContact CB-CG1 3.67Å; L246-I251 HydrophobicContact CD1-CD1 4.37Å; L246-I251 HydrophobicContact CD1-CG1 3.74Å; L246-I251 HydrophobicContact CG-CG1 4.4Å; L246-C281 CarbonylContact O-C 3.53Å; L246-C281 VanDerWaalsContact O-CA 3.24Å; L246-C281 WeakPolarHBondContact O-CA 3.35Å; L246-C281 WeakPolarHBondContact O-CB 3.31Å; L246-V282 PolarHBondContact N-O 2.74Å; L246-V282 PolarHBondContact O-N 2.64Å
247T93.4Very high84.4Confident53 Ų5375.7 Ų75.733%0.32537%0.372SS..EExtended strand (participates in β ladder)trans-82.7168.7170.971.40000111.3E249 E250 I251T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 PolarHBondContact O-N 3.27Å; T247-E250 PolarHBondContact N-OE2 2.72Å; T247-E250 PolarHBondContact O-N 2.95Å; T247-E250 WeakPolarHBondContact OG1-CG 3.12Å; T247-E250 PolarHBondContact OG1-N 2.77Å; T247-I251 PolarHBondContact O-N 2.84Å; T247-I251 VanDerWaalsContact O-N 3.16Å
248K91.5Very high84.1Confident76 Ų7673.6 Ų73.633%0.3337%0.366SS..Hα-helixtrans-56.8-43.4176.8-177.4-178.8177.4-174.70112.2I251 L252 S267 F270K248-I251 PolarHBondContact O-N 3.34Å; K248-L252 HydrophobicContact CG-CD1 3.86Å; K248-L252 HydrophobicContact CG-CG 4.49Å; K248-L252 VanDerWaalsContact O-CB 3.31Å; K248-L252 WeakPolarHBondContact O-CB 3.38Å; K248-L252 VanDerWaalsContact O-CG 3.3Å; K248-L252 WeakPolarHBondContact O-CG 3.14Å; K248-L252 PolarHBondContact O-N 3.21Å; K248-S267 WeakPolarHBondContact CE-OG 3.48Å; K248-S267 PolarHBondContact NZ-OG 3.34Å; K248-F270 VanDerWaalsContact CA-CE2 3.46Å; K248-F270 HydrophobicContact CB-CD1 3.99Å; K248-F270 HydrophobicContact CB-CD2 3.94Å; K248-F270 HydrophobicContact CB-CE1 3.84Å; K248-F270 HydrophobicContact CB-CE2 3.81Å; K248-F270 HydrophobicContact CB-CG 4.04Å; K248-F270 HydrophobicContact CB-CZ 3.78Å; K248-F270 HydrophobicContact CG-CD2 4.01Å; K248-F270 HydrophobicContact CG-CE2 4.15Å; K248-F270 HydrophobicContact CG-CG 4.33Å; K248-F270 VanDerWaalsContact N-CE1 3.28Å
249E90.5Very high83.8Confident146 Ų14678.4 Ų78.468%0.68240%0.401SS*.Hα-helixtrans-65.9-38.8179.7-63.3-173.616800112.2T247 L252 N253T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 PolarHBondContact O-N 3.27Å; E249-L252 PolarHBondContact O-N 3.19Å; E249-N253 WeakPolarHBondContact O-CB 3.38Å; E249-N253 PolarHBondContact O-N 3.43Å; E249-N253 PolarHBondContact O-ND2 2.83Å
250E90.3Very high84Confident59 Ų5976.3 Ų76.328%0.27639%0.386SS..Hα-helixtrans-66.6-41.1179.2-70.4179.2127.600112.5R237 L246 T247 E254R237-E250 IonicContact NH2-OE1 3.33Å; L246-E250 VanDerWaalsContact CA-OE2 3.29Å; L246-E250 WeakPolarHBondContact CA-OE2 3.35Å; L246-E250 HydrophobicContact CB-CB 4.42Å; L246-E250 HydrophobicContact CD2-CB 4.25Å; T247-E250 PolarHBondContact N-OE2 2.72Å; T247-E250 PolarHBondContact O-N 2.95Å; T247-E250 WeakPolarHBondContact OG1-CG 3.12Å; T247-E250 PolarHBondContact OG1-N 2.77Å; E250-E254 PolarHBondContact O-N 3.33Å
251I89.8Confident84.9Confident1 Ų175.2 Ų75.21%0.00537%0.37CS..Hα-helixtrans-70.3-41.8175.9-58.2-177.8000110V233 Y234 L246 T247 K248 N253 E254 A255 M266 F270 V282V233-I251 HydrophobicContact CG1-CG2 4.21Å; Y234-I251 HydrophobicContact CD2-CD1 4.35Å; L246-I251 HydrophobicContact CB-CD1 3.99Å; L246-I251 HydrophobicContact CB-CG1 3.67Å; L246-I251 HydrophobicContact CD1-CD1 4.37Å; L246-I251 HydrophobicContact CD1-CG1 3.74Å; L246-I251 HydrophobicContact CG-CG1 4.4Å; T247-I251 PolarHBondContact O-N 2.84Å; T247-I251 VanDerWaalsContact O-N 3.16Å; K248-I251 PolarHBondContact O-N 3.34Å; I251-N253 VanDerWaalsContact C-N 3.34Å; I251-N253 PolarHBondContact O-N 3.41Å; I251-E254 PolarHBondContact O-N 3.41Å; I251-A255 VanDerWaalsContact O-CB 3.27Å; I251-A255 WeakPolarHBondContact O-CB 3.46Å; I251-A255 PolarHBondContact O-N 2.85Å; I251-M266 HydrophobicContact CG2-CE 3.52Å; I251-M266 HydrophobicContact CG2-SD 3.96Å; I251-F270 HydrophobicContact CD1-CE2 3.98Å; I251-F270 HydrophobicContact CD1-CZ 3.94Å; I251-V282 HydrophobicContact CD1-CB 4.11Å; I251-V282 HydrophobicContact CD1-CG1 4.47Å
252L89.4Confident85.9Confident42 Ų4274.1 Ų74.122%0.2237%0.366CS..Hα-helixtrans-58.7-43.6176-83.4168.7000112.4K248 E249 E254 A255 Q256 P263 M266K248-L252 HydrophobicContact CG-CD1 3.86Å; K248-L252 HydrophobicContact CG-CG 4.49Å; K248-L252 VanDerWaalsContact O-CB 3.31Å; K248-L252 WeakPolarHBondContact O-CB 3.38Å; K248-L252 VanDerWaalsContact O-CG 3.3Å; K248-L252 WeakPolarHBondContact O-CG 3.14Å; K248-L252 PolarHBondContact O-N 3.21Å; E249-L252 PolarHBondContact O-N 3.19Å; L252-E254 VanDerWaalsContact C-N 3.32Å; L252-E254 PolarHBondContact O-N 2.68Å; L252-A255 PolarHBondContact O-N 3.1Å; L252-Q256 PolarHBondContact O-N 3.17Å; L252-Q256 VanDerWaalsContact O-N 3.15Å; L252-P263 HydrophobicContact CD2-CB 4.38Å; L252-M266 HydrophobicContact CD2-CB 3.79Å; L252-M266 HydrophobicContact CD2-CG 3.52Å; L252-M266 HydrophobicContact CG-CB 4.1Å; L252-M266 HydrophobicContact CG-CG 4.03Å
253N89.7Confident86.5Confident99 Ų9975.4 Ų75.453%0.52938%0.376SS..Hα-helixtrans-61.2-40177.4-77.2-20.5000112E249 I251E249-N253 WeakPolarHBondContact O-CB 3.38Å; E249-N253 PolarHBondContact O-N 3.43Å; E249-N253 PolarHBondContact O-ND2 2.83Å; I251-N253 VanDerWaalsContact C-N 3.34Å; I251-N253 PolarHBondContact O-N 3.41Å
254E88.1Confident87.2Confident16 Ų1672.5 Ų72.58%0.07537%0.365CS..Hα-helixtrans-73.1-36.9174.7-167.668-161.100111.9V233 S236 R237 E250 I251 L252 Q256 R257 F258V233-E254 HydrophobicContact CG1-CB 3.87Å; V233-E254 HydrophobicContact CG1-CG 3.89Å; S236-E254 PolarHBondContact OG-OE1 2.86Å; R237-E254 HydrophobicContact CB-CB 3.9Å; R237-E254 HydrophobicContact CB-CG 3.83Å; R237-E254 HydrophobicContact CG-CB 4.32Å; E250-E254 PolarHBondContact O-N 3.33Å; I251-E254 PolarHBondContact O-N 3.41Å; L252-E254 VanDerWaalsContact C-N 3.32Å; L252-E254 PolarHBondContact O-N 2.68Å; E254-Q256 PolarHBondContact O-N 3.44Å; E254-R257 WeakPolarHBondContact O-CB 3.49Å; E254-R257 PolarHBondContact O-N 2.86Å; E254-R257 WeakPolarHBondContact OE1-CD 3.47Å; E254-R257 IonicContact OE1-CZ 2.77Å; E254-R257 IonicContact OE1-NE 2.81Å; E254-R257 IonicContact OE1-NH1 2.63Å; E254-R257 PolarHBondContact OE1-NH1 2.85Å; E254-R257 IonicContact OE2-CZ 3.51Å; E254-R257 IonicContact OE2-NH1 3.34Å; E254-F258 HydrophobicContact CG-CE2 4.45Å
255A87.1Confident87.7Confident5 Ų570.5 Ų70.54%0.04135%0.352CS..Hα-helixtrans-62.9-20.9179.200000113V233 I251 L252 R257 F258 M266V233-A255 HydrophobicContact CG1-CB 4.09Å; I251-A255 VanDerWaalsContact O-CB 3.27Å; I251-A255 WeakPolarHBondContact O-CB 3.46Å; I251-A255 PolarHBondContact O-N 2.85Å; L252-A255 PolarHBondContact O-N 3.1Å; A255-R257 PolarHBondContact O-N 3.5Å; A255-R257 VanDerWaalsContact O-N 3.1Å; A255-F258 CarbonylContact O-C 3.6Å; A255-F258 WeakPolarHBondContact O-CA 3.1Å; A255-F258 PolarHBondContact O-N 2.87Å; A255-M266 HydrophobicContact CB-CE 3.37Å
256Q85.1Confident87.8Confident155 Ų15565 Ų6572%0.72433%0.328SS*.THydrogen-bonded Turntrans-57.4-25171.5-70178.6-1.400113.2L252 E254 F258L252-Q256 PolarHBondContact O-N 3.17Å; L252-Q256 VanDerWaalsContact O-N 3.15Å; E254-Q256 PolarHBondContact O-N 3.44Å; Q256-F258 VanDerWaalsContact C-N 3.29Å
257R83.1Confident87.9Confident186 Ų18666.4 Ų66.470%0.70234%0.338SS*.THydrogen-bonded Turntrans-76.8-18.3173.7-62.2175.5174.8179-6.5113E254 A255E254-R257 WeakPolarHBondContact O-CB 3.49Å; E254-R257 PolarHBondContact O-N 2.86Å; E254-R257 WeakPolarHBondContact OE1-CD 3.47Å; E254-R257 IonicContact OE1-CZ 2.77Å; E254-R257 IonicContact OE1-NE 2.81Å; E254-R257 IonicContact OE1-NH1 2.63Å; E254-R257 PolarHBondContact OE1-NH1 2.85Å; E254-R257 IonicContact OE2-CZ 3.51Å; E254-R257 IonicContact OE2-NH1 3.34Å; A255-R257 PolarHBondContact O-N 3.5Å; A255-R257 VanDerWaalsContact O-N 3.1Å
258F79Confident87.8Confident51 Ų5163.9 Ų63.922%0.22432%0.323CS..SBendtrans-117.784.3-178.8-58.2-88.1000108.2L229 V233 E254 A255 Q256 Q260 I261L229-F258 HydrophobicContact CD1-CD1 3.84Å; L229-F258 HydrophobicContact CD1-CE1 4.47Å; L229-F258 HydrophobicContact CD1-CG 4.43Å; V233-F258 HydrophobicContact CB-CD2 4.23Å; V233-F258 HydrophobicContact CB-CE2 4.38Å; V233-F258 HydrophobicContact CG1-CD2 4.24Å; V233-F258 HydrophobicContact CG1-CE2 4.48Å; V233-F258 HydrophobicContact CG2-CB 3.99Å; V233-F258 HydrophobicContact CG2-CD1 4.33Å; V233-F258 HydrophobicContact CG2-CD2 3.39Å; V233-F258 HydrophobicContact CG2-CE2 3.87Å; V233-F258 HydrophobicContact CG2-CG 3.64Å; E254-F258 HydrophobicContact CG-CE2 4.45Å; A255-F258 CarbonylContact O-C 3.6Å; A255-F258 WeakPolarHBondContact O-CA 3.1Å; A255-F258 PolarHBondContact O-N 2.87Å; Q256-F258 VanDerWaalsContact C-N 3.29Å; F258-Q260 PolarHBondContact O-N 3.43Å; F258-I261 PolarHBondContact O-N 2.86Å
259S74.4Confident87.8Confident114 Ų11460.2 Ų60.280%0.79731%0.307SS*.THydrogen-bonded Turntrans-58.1-2.6-171.456.10000115.9
260Q81Confident87.9Confident109 Ų10954.5 Ų54.551%0.50928%0.28SS..THydrogen-bonded Turntrans-87.8-8.7-177.7-53.790.8-4.700115L229 F258L229-Q260 HydrophobicContact CD2-CB 3.73Å; L229-Q260 HydrophobicContact CD2-CG 4.36Å; F258-Q260 PolarHBondContact O-N 3.43Å
261I86.4Confident87.8Confident17 Ų1753.4 Ų53.49%0.08727%0.274CS..  trans-108.3122.9-178.4-50.4167.6000111.9L229 V230 V233 F258 E265 M266L229-I261 HydrophobicContact CD2-CD1 4.25Å; L229-I261 HydrophobicContact CD2-CG1 3.98Å; L229-I261 HydrophobicContact CG-CD1 4.14Å; L229-I261 HydrophobicContact CG-CG1 4.41Å; V230-I261 HydrophobicContact CG2-CD1 3.95Å; V233-I261 HydrophobicContact CG2-CD1 3.66Å; F258-I261 PolarHBondContact O-N 2.86Å; I261-E265 WeakPolarHBondContact CA-OE2 3.4Å; I261-E265 HydrophobicContact CG2-CB 4.07Å; I261-M266 HydrophobicContact CB-CE 4.03Å; I261-M266 HydrophobicContact CD1-CE 3.89Å; I261-M266 HydrophobicContact CG2-CE 3.45Å; I261-M266 VanDerWaalsContact CG2-CE 3.45Å; I261-M266 HydrophobicContact CG2-CG 3.89Å; I261-M266 HydrophobicContact CG2-SD 3.8Å
262T90.4Very high87.9Confident56 Ų5653.3 Ų53.334%0.34427%0.274SS..  trans-87.5156.7-178.168.90000113.3M264 E265 M266T262-M264 PolarHBondContact O-N 3.46Å; T262-E265 WeakPolarHBondContact CG2-OE1 3.43Å; T262-E265 PolarHBondContact N-OE2 2.9Å; T262-E265 WeakPolarHBondContact O-CB 3.27Å; T262-E265 PolarHBondContact O-N 3.37Å; T262-E265 VanDerWaalsContact OG1-CG 3.23Å; T262-E265 WeakPolarHBondContact OG1-CG 3.41Å; T262-E265 PolarHBondContact OG1-N 3.41Å; T262-E265 PolarHBondContact OG1-OE1 3.38Å; T262-M266 PolarHBondContact O-N 3.48Å
263P90.6Very high87.9Confident89 Ų8951.5 Ų51.558%0.57827%0.265SS*.Hα-helixtrans-60.1-29.4172.4-25.635.2000114.1L252 S267L252-P263 HydrophobicContact CD2-CB 4.38Å; P263-S267 PolarHBondContact O-N 3.45Å; P263-S267 PolarHBondContact O-OG 3.02Å
264M90.4Very high87.8Confident78 Ų7848.4 Ų48.438%0.38425%0.251SS..Hα-helixtrans-66.8-49174.1-170.870.774.600110.4Y216 A219 T262 M266 S267 I268Y216-M264 HydrophobicContact CD2-SD 4.29Å; A219-M264 HydrophobicContact CB-CB 4.18Å; A219-M264 HydrophobicContact CB-CG 3.73Å; T262-M264 PolarHBondContact O-N 3.46Å; M264-M266 VanDerWaalsContact C-N 3.3Å; M264-M266 PolarHBondContact O-N 2.82Å; M264-S267 WeakPolarHBondContact O-CA 3.48Å; M264-S267 WeakPolarHBondContact O-CB 3.38Å; M264-S267 PolarHBondContact O-N 3.47Å; M264-I268 HydrophobicContact CG-CD1 4.28Å; M264-I268 WeakPolarHBondContact O-CG1 3.42Å; M264-I268 PolarHBondContact O-N 3.48Å
265E92.7Very high87.7Confident12 Ų1249.7 Ų49.76%0.05626%0.258CS..Hα-helixtrans-56.6-42.9174.5-74154.7-14600111.8A219 L223 I261 T262 S267 I268 L269A219-E265 HydrophobicContact CB-CG 4.04Å; A219-E265 WeakPolarHBondContact O-CG 3.34Å; L223-E265 HydrophobicContact CB-CB 4.2Å; L223-E265 HydrophobicContact CB-CG 4.11Å; L223-E265 HydrophobicContact CD1-CB 4.23Å; L223-E265 WeakPolarHBondContact CD2-O 3.41Å; I261-E265 WeakPolarHBondContact CA-OE2 3.4Å; I261-E265 HydrophobicContact CG2-CB 4.07Å; T262-E265 WeakPolarHBondContact CG2-OE1 3.43Å; T262-E265 PolarHBondContact N-OE2 2.9Å; T262-E265 WeakPolarHBondContact O-CB 3.27Å; T262-E265 PolarHBondContact O-N 3.37Å; T262-E265 VanDerWaalsContact OG1-CG 3.23Å; T262-E265 WeakPolarHBondContact OG1-CG 3.41Å; T262-E265 PolarHBondContact OG1-N 3.41Å; T262-E265 PolarHBondContact OG1-OE1 3.38Å; E265-S267 VanDerWaalsContact C-N 3.29Å; E265-S267 PolarHBondContact O-N 2.91Å; E265-I268 PolarHBondContact O-N 2.84Å; E265-L269 WeakPolarHBondContact O-CB 3.04Å; E265-L269 PolarHBondContact O-N 2.99Å
266M91.4Very high87.6Confident0 Ų052.4 Ų52.40%027%0.271CS..Hα-helixtrans-65.2-33.2174.8-69-58-164.400112.8I251 L252 A255 I261 T262 M264 L269 F270I251-M266 HydrophobicContact CG2-CE 3.52Å; I251-M266 HydrophobicContact CG2-SD 3.96Å; L252-M266 HydrophobicContact CD2-CB 3.79Å; L252-M266 HydrophobicContact CD2-CG 3.52Å; L252-M266 HydrophobicContact CG-CB 4.1Å; L252-M266 HydrophobicContact CG-CG 4.03Å; A255-M266 HydrophobicContact CB-CE 3.37Å; I261-M266 HydrophobicContact CB-CE 4.03Å; I261-M266 HydrophobicContact CD1-CE 3.89Å; I261-M266 HydrophobicContact CG2-CE 3.45Å; I261-M266 VanDerWaalsContact CG2-CE 3.45Å; I261-M266 HydrophobicContact CG2-CG 3.89Å; I261-M266 HydrophobicContact CG2-SD 3.8Å; T262-M266 PolarHBondContact O-N 3.48Å; M264-M266 VanDerWaalsContact C-N 3.3Å; M264-M266 PolarHBondContact O-N 2.82Å; M266-L269 PolarHBondContact O-N 3.38Å; M266-L269 HydrophobicContact SD-CD2 3.95Å; M266-F270 VanDerWaalsContact O-CD2 3.28Å; M266-F270 WeakPolarHBondContact O-CD2 3.23Å; M266-F270 PolarHBondContact O-N 3.29Å; M266-F270 VanDerWaalsContact O-N 3.15Å
267S90.9Very high87.6Confident30 Ų3046.9 Ų46.921%0.2124%0.244CC..Hα-helixtrans-66.3-43.6174.4-55.30000110.8K248 P263 M264 E265 L269 F270 Q271K248-S267 WeakPolarHBondContact CE-OG 3.48Å; K248-S267 PolarHBondContact NZ-OG 3.34Å; P263-S267 PolarHBondContact O-N 3.45Å; P263-S267 PolarHBondContact O-OG 3.02Å; M264-S267 WeakPolarHBondContact O-CA 3.48Å; M264-S267 WeakPolarHBondContact O-CB 3.38Å; M264-S267 PolarHBondContact O-N 3.47Å; E265-S267 VanDerWaalsContact C-N 3.29Å; E265-S267 PolarHBondContact O-N 2.91Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-L269 PolarHBondContact O-N 3.49Å; S267-F270 PolarHBondContact O-N 2.85Å; S267-Q271 WeakPolarHBondContact O-CG 3.34Å; S267-Q271 PolarHBondContact O-N 2.96Å
268I91.7Very high87.6Confident0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-63.4-40.3175.7-63.5169.3000110.8Y216 A219 F220 L223 M264 E265 F270 Q271 L272Y216-I268 HydrophobicContact CD2-CD1 4Å; Y216-I268 HydrophobicContact CD2-CG1 4.18Å; Y216-I268 HydrophobicContact CE2-CD1 3.83Å; Y216-I268 HydrophobicContact CE2-CG1 3.58Å; Y216-I268 HydrophobicContact CG-CD1 4.44Å; A219-I268 HydrophobicContact CB-CD1 3.7Å; F220-I268 HydrophobicContact CB-CD1 4.16Å; F220-I268 HydrophobicContact CD2-CG2 3.47Å; F220-I268 VanDerWaalsContact CD2-CG2 3.47Å; F220-I268 HydrophobicContact CE2-CG2 3.96Å; F220-I268 HydrophobicContact CG-CG2 4.37Å; L223-I268 HydrophobicContact CD2-CB 3.87Å; L223-I268 HydrophobicContact CD2-CG2 3.56Å; M264-I268 HydrophobicContact CG-CD1 4.28Å; M264-I268 WeakPolarHBondContact O-CG1 3.42Å; M264-I268 PolarHBondContact O-N 3.48Å; E265-I268 PolarHBondContact O-N 2.84Å; I268-F270 VanDerWaalsContact C-N 3.31Å; I268-F270 PolarHBondContact O-N 3.43Å; I268-Q271 WeakPolarHBondContact O-CB 3.38Å; I268-Q271 PolarHBondContact O-N 3.33Å; I268-Q271 VanDerWaalsContact O-N 3.11Å; I268-L272 HydrophobicContact CG2-CD1 4.21Å; I268-L272 HydrophobicContact CG2-CG 4.42Å; I268-L272 WeakPolarHBondContact O-CG 3.39Å; I268-L272 PolarHBondContact O-N 3.46Å
269L92.4Very high87.9Confident0 Ų048.9 Ų48.90%026%0.261CS..Hα-helixtrans-57.4-45.1175.4179.867.3000111.8L223 M227 V230 E265 M266 S267 Q271 L272 T273 L287 I290L223-L269 HydrophobicContact CD1-CB 4.06Å; L223-L269 HydrophobicContact CD1-CD1 4.34Å; L223-L269 HydrophobicContact CD2-CB 3.98Å; M227-L269 HydrophobicContact CE-CD1 3.85Å; M227-L269 HydrophobicContact SD-CD1 4.39Å; V230-L269 HydrophobicContact CG1-CD1 4.3Å; V230-L269 HydrophobicContact CG1-CD2 3.59Å; E265-L269 WeakPolarHBondContact O-CB 3.04Å; E265-L269 PolarHBondContact O-N 2.99Å; M266-L269 PolarHBondContact O-N 3.38Å; M266-L269 HydrophobicContact SD-CD2 3.95Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-L269 PolarHBondContact O-N 3.49Å; L269-Q271 VanDerWaalsContact C-N 3.31Å; L269-L272 PolarHBondContact O-N 3.39Å; L269-T273 WeakPolarHBondContact O-CG2 3.39Å; L269-T273 PolarHBondContact O-N 2.91Å; L269-T273 PolarHBondContact O-OG1 3.34Å; L269-L287 HydrophobicContact CD1-CD2 3.75Å; L269-L287 HydrophobicContact CD2-CD2 4.29Å; L269-L287 HydrophobicContact CG-CD2 4.45Å; L269-I290 HydrophobicContact CD1-CD1 3.56Å
270F92.1Very high88.5Confident26 Ų2645.8 Ų45.811%0.11425%0.247CC..Hα-helixtrans-71.1-27.7177.9-84.5-102.4000112.6K248 I251 M266 S267 I268 T273 S274 G280 V282K248-F270 VanDerWaalsContact CA-CE2 3.46Å; K248-F270 HydrophobicContact CB-CD1 3.99Å; K248-F270 HydrophobicContact CB-CD2 3.94Å; K248-F270 HydrophobicContact CB-CE1 3.84Å; K248-F270 HydrophobicContact CB-CE2 3.81Å; K248-F270 HydrophobicContact CB-CG 4.04Å; K248-F270 HydrophobicContact CB-CZ 3.78Å; K248-F270 HydrophobicContact CG-CD2 4.01Å; K248-F270 HydrophobicContact CG-CE2 4.15Å; K248-F270 HydrophobicContact CG-CG 4.33Å; K248-F270 VanDerWaalsContact N-CE1 3.28Å; I251-F270 HydrophobicContact CD1-CE2 3.98Å; I251-F270 HydrophobicContact CD1-CZ 3.94Å; M266-F270 VanDerWaalsContact O-CD2 3.28Å; M266-F270 WeakPolarHBondContact O-CD2 3.23Å; M266-F270 PolarHBondContact O-N 3.29Å; M266-F270 VanDerWaalsContact O-N 3.15Å; S267-F270 PolarHBondContact O-N 2.85Å; I268-F270 VanDerWaalsContact C-N 3.31Å; I268-F270 PolarHBondContact O-N 3.43Å; F270-T273 VanDerWaalsContact CA-OG1 3.32Å; F270-T273 WeakPolarHBondContact CA-OG1 3.44Å; F270-T273 PolarHBondContact O-OG1 2.69Å; F270-S274 WeakPolarHBondContact O-CB 3.2Å; F270-S274 PolarHBondContact O-N 2.93Å; F270-G280 VanDerWaalsContact CE1-O 3.3Å; F270-G280 WeakPolarHBondContact CE1-O 3.41Å; F270-V282 HydrophobicContact CD1-CG2 4.03Å; F270-V282 HydrophobicContact CD2-CG2 4.26Å; F270-V282 HydrophobicContact CE1-CB 4.46Å; F270-V282 HydrophobicContact CE1-CG2 3.62Å; F270-V282 HydrophobicContact CE2-CG2 3.88Å; F270-V282 HydrophobicContact CG-CG2 4.34Å; F270-V282 HydrophobicContact CZ-CB 4.13Å; F270-V282 HydrophobicContact CZ-CG2 3.52Å
271Q88.9Confident89Confident35 Ų3541.8 Ų41.816%0.16423%0.231CC..Hα-helixtrans-68.2-43.3169.5-69.9168.5-11.300111.7V201 Y216 S267 I268 L269 S274V201-Q271 HydrophobicContact CG1-CB 4.07Å; Y216-Q271 PolarHBondContact OH-OE1 2.83Å; S267-Q271 WeakPolarHBondContact O-CG 3.34Å; S267-Q271 PolarHBondContact O-N 2.96Å; I268-Q271 WeakPolarHBondContact O-CB 3.38Å; I268-Q271 PolarHBondContact O-N 3.33Å; I268-Q271 VanDerWaalsContact O-N 3.11Å; L269-Q271 VanDerWaalsContact C-N 3.31Å; Q271-S274 WeakPolarHBondContact O-CB 3.29Å; Q271-S274 PolarHBondContact O-N 3.47Å; Q271-S274 PolarHBondContact O-OG 3.23Å
272L90.4Very high89.2Confident0 Ų041 Ų410%023%0.227CC..Hα-helixtrans-65-43.1177.8-70.4170.9000111.7I194 V201 F220 L223 L224 I268 L269 S274 L275 I290I194-L272 HydrophobicContact CD1-CD2 4.15Å; I194-L272 HydrophobicContact CG1-CD2 4.11Å; I194-L272 HydrophobicContact CG2-CD2 4.03Å; V201-L272 HydrophobicContact CB-CD2 4.47Å; V201-L272 HydrophobicContact CG1-CD2 3.74Å; V201-L272 HydrophobicContact CG1-CG 4.26Å; V201-L272 HydrophobicContact CG2-CD2 4.02Å; F220-L272 HydrophobicContact CE2-CD2 4.14Å; F220-L272 HydrophobicContact CZ-CD2 4.3Å; L223-L272 HydrophobicContact CD2-CD1 3.91Å; L224-L272 HydrophobicContact CD2-CD1 4Å; I268-L272 HydrophobicContact CG2-CD1 4.21Å; I268-L272 HydrophobicContact CG2-CG 4.42Å; I268-L272 WeakPolarHBondContact O-CG 3.39Å; I268-L272 PolarHBondContact O-N 3.46Å; L269-L272 PolarHBondContact O-N 3.39Å; L272-S274 VanDerWaalsContact C-N 3.27Å; L272-S274 PolarHBondContact O-N 2.9Å; L272-L275 WeakPolarHBondContact O-CB 3.43Å; L272-L275 WeakPolarHBondContact O-CG 3.2Å; L272-L275 PolarHBondContact O-N 3.45Å; L272-I290 HydrophobicContact CB-CD1 4.25Å
273T89.8Confident89.2Confident3 Ų339.3 Ų39.32%0.01822%0.217CC..Hα-helixtrans-73.7-17.917952.60000113.2L269 F270 L275 L276 R277 V282 D286 I290L269-T273 WeakPolarHBondContact O-CG2 3.39Å; L269-T273 PolarHBondContact O-N 2.91Å; L269-T273 PolarHBondContact O-OG1 3.34Å; F270-T273 VanDerWaalsContact CA-OG1 3.32Å; F270-T273 WeakPolarHBondContact CA-OG1 3.44Å; F270-T273 PolarHBondContact O-OG1 2.69Å; T273-L275 PolarHBondContact O-N 3.36Å; T273-L276 PolarHBondContact O-N 3.46Å; T273-R277 PolarHBondContact O-N 3.12Å; T273-V282 HydrophobicContact CG2-CG1 4.18Å; T273-V282 HydrophobicContact CG2-CG2 3.77Å; T273-V282 VanDerWaalsContact OG1-CG2 3.32Å; T273-V282 WeakPolarHBondContact OG1-CG2 3.46Å; T273-D286 HydrophobicContact CG2-CB 4.21Å; T273-I290 HydrophobicContact CG2-CD1 3.81Å
274S88.2Confident88.9Confident34 Ų3437.8 Ų37.824%0.23820%0.2CC..Hα-helixtrans-61.2-28.5173.289.60000112.4Q204 F270 Q271 L272 L276 R277Q204-S274 PolarHBondContact OE1-OG 2.85Å; F270-S274 WeakPolarHBondContact O-CB 3.2Å; F270-S274 PolarHBondContact O-N 2.93Å; Q271-S274 WeakPolarHBondContact O-CB 3.29Å; Q271-S274 PolarHBondContact O-N 3.47Å; Q271-S274 PolarHBondContact O-OG 3.23Å; L272-S274 VanDerWaalsContact C-N 3.27Å; L272-S274 PolarHBondContact O-N 2.9Å; S274-L276 VanDerWaalsContact C-N 3.25Å; S274-L276 PolarHBondContact O-N 3.13Å; S274-R277 WeakPolarHBondContact CA-O 3.29Å; S274-R277 PolarHBondContact O-N 3.17Å
275L85.6Confident88.4Confident43 Ų4339.4 Ų39.423%0.22521%0.206CC..THydrogen-bonded Turntrans-62.4-35174.6-62.7-179.7000112.2N197 T200 V201 L272 T273N197-L275 HydrophobicContact CB-CD1 3.59Å; N197-L275 HydrophobicContact CB-CD2 3.87Å; N197-L275 HydrophobicContact CB-CG 4.37Å; T200-L275 HydrophobicContact CG2-CD2 4.37Å; V201-L275 HydrophobicContact CG2-CD1 3.43Å; V201-L275 VanDerWaalsContact CG2-CD1 3.43Å; V201-L275 HydrophobicContact CG2-CD2 3.93Å; V201-L275 HydrophobicContact CG2-CG 3.79Å; L272-L275 WeakPolarHBondContact O-CB 3.43Å; L272-L275 WeakPolarHBondContact O-CG 3.2Å; L272-L275 PolarHBondContact O-N 3.45Å; T273-L275 PolarHBondContact O-N 3.36Å
276L85.6Confident88.2Confident62 Ų6239.6 Ų39.633%0.32521%0.208SC..THydrogen-bonded Turntrans-86.3-36.7-179.8-67.7172.6000111.3L193 T273 S274 D286 D289 I290L193-L276 HydrophobicContact CD2-CD1 4.41Å; L193-L276 HydrophobicContact CD2-CD2 3.32Å; L193-L276 HydrophobicContact CD2-CG 3.81Å; T273-L276 PolarHBondContact O-N 3.46Å; S274-L276 VanDerWaalsContact C-N 3.25Å; S274-L276 PolarHBondContact O-N 3.13Å; L276-D286 HydrophobicContact CD1-CB 3.92Å; L276-D289 HydrophobicContact CD1-CB 3.75Å; L276-D289 HydrophobicContact CD2-CB 4.43Å; L276-I290 HydrophobicContact CD1-CG2 3.69Å
277R84.2Confident88Confident40 Ų4039.6 Ų39.615%0.15121%0.208CC..  trans-150.2137.8-170.2-165.8161.441.5114.4-0.2113.5T273 S274 D279 C281 V282 D286T273-R277 PolarHBondContact O-N 3.12Å; S274-R277 WeakPolarHBondContact CA-O 3.29Å; S274-R277 PolarHBondContact O-N 3.17Å; R277-D279 WeakPolarHBondContact CD-OD1 3.43Å; R277-D279 WeakPolarHBondContact CD-OD2 3.22Å; R277-D279 HydrophobicContact CG-CB 4.41Å; R277-D279 VanDerWaalsContact CG-OD1 3.28Å; R277-D279 WeakPolarHBondContact CG-OD1 3.31Å; R277-D279 IonicContact CZ-OD1 3.09Å; R277-D279 VanDerWaalsContact CZ-OD1 3.28Å; R277-D279 IonicContact CZ-OD2 2.84Å; R277-D279 IonicContact NE-OD1 3.16Å; R277-D279 IonicContact NE-OD2 2.65Å; R277-D279 IonicContact NH1-OD1 2.7Å; R277-D279 PolarHBondContact NH1-OD1 3.47Å; R277-D279 IonicContact NH1-OD2 2.73Å; R277-D279 PolarHBondContact NH1-OD2 2.62Å; R277-C281 PolarHBondContact NH2-O 3.3Å; R277-V282 VanDerWaalsContact NH2-N 3.19Å; R277-D286 IonicContact CZ-OD2 3.57Å; R277-D286 IonicContact NE-OD1 2.86Å; R277-D286 IonicContact NE-OD2 3.7Å; R277-D286 PolarHBondContact NE-OD2 3.45Å; R277-D286 IonicContact NH2-OD2 3.9Å; R277-D286 PolarHBondContact NH2-OD2 3.45Å
278K82.6Confident87.7Confident211 Ų21140.2 Ų40.292%0.91721%0.212SC*.SBendtrans-95.41.4-175.9-60.3-172.6178.5-175.70115G280K278-G280 VanDerWaalsContact C-N 3.3Å; K278-G280 PolarHBondContact O-N 3.3Å
279D86.3Confident87.2Confident67 Ų6743.5 Ų43.536%0.35823%0.229SC..SBendtrans-86.55.1-174.870.60.9000114.1K245 R277 C281K245-D279 IonicContact NZ-OD2 3.97Å; K245-D279 PolarHBondContact NZ-OD2 2.98Å; R277-D279 WeakPolarHBondContact CD-OD1 3.43Å; R277-D279 WeakPolarHBondContact CD-OD2 3.22Å; R277-D279 HydrophobicContact CG-CB 4.41Å; R277-D279 VanDerWaalsContact CG-OD1 3.28Å; R277-D279 WeakPolarHBondContact CG-OD1 3.31Å; R277-D279 IonicContact CZ-OD1 3.09Å; R277-D279 VanDerWaalsContact CZ-OD1 3.28Å; R277-D279 IonicContact CZ-OD2 2.84Å; R277-D279 IonicContact NE-OD1 3.16Å; R277-D279 IonicContact NE-OD2 2.65Å; R277-D279 IonicContact NH1-OD1 2.7Å; R277-D279 PolarHBondContact NH1-OD1 3.47Å; R277-D279 IonicContact NH1-OD2 2.73Å; R277-D279 PolarHBondContact NH1-OD2 2.62Å; D279-C281 PolarHBondContact O-N 3.39Å; D279-C281 WeakPolarHBondContact OD1-CB 3.18Å; D279-C281 PolarHBondContact OD1-N 2.79Å; D279-C281 VanDerWaalsContact OD1-N 3.13Å
280G86.1Confident86.8Confident50 Ų5043.5 Ų43.552%0.51523%0.229SC..SBendtrans67.515.4178.200000114.3F270 K278F270-G280 VanDerWaalsContact CE1-O 3.3Å; F270-G280 WeakPolarHBondContact CE1-O 3.41Å; K278-G280 VanDerWaalsContact C-N 3.3Å; K278-G280 PolarHBondContact O-N 3.3Å
281C92Very high86.2Confident25 Ų2542.5 Ų42.517%0.16923%0.225CC..EExtended strand (participates in β ladder)trans-117.1166.4178-62.50000110.6K245 L246 R277 D279K245-C281 HydrophobicContact CB-CB 4.03Å; L246-C281 CarbonylContact O-C 3.53Å; L246-C281 VanDerWaalsContact O-CA 3.24Å; L246-C281 WeakPolarHBondContact O-CA 3.35Å; L246-C281 WeakPolarHBondContact O-CB 3.31Å; R277-C281 PolarHBondContact NH2-O 3.3Å; D279-C281 PolarHBondContact O-N 3.39Å; D279-C281 WeakPolarHBondContact OD1-CB 3.18Å; D279-C281 PolarHBondContact OD1-N 2.79Å; D279-C281 VanDerWaalsContact OD1-N 3.13Å
282V91.2Very high85.2Confident0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-125140.8175.6176.30000110.1L246 I251 F270 T273 R277 L287L246-V282 PolarHBondContact N-O 2.74Å; L246-V282 PolarHBondContact O-N 2.64Å; I251-V282 HydrophobicContact CD1-CB 4.11Å; I251-V282 HydrophobicContact CD1-CG1 4.47Å; F270-V282 HydrophobicContact CD1-CG2 4.03Å; F270-V282 HydrophobicContact CD2-CG2 4.26Å; F270-V282 HydrophobicContact CE1-CB 4.46Å; F270-V282 HydrophobicContact CE1-CG2 3.62Å; F270-V282 HydrophobicContact CE2-CG2 3.88Å; F270-V282 HydrophobicContact CG-CG2 4.34Å; F270-V282 HydrophobicContact CZ-CB 4.13Å; F270-V282 HydrophobicContact CZ-CG2 3.52Å; T273-V282 HydrophobicContact CG2-CG1 4.18Å; T273-V282 HydrophobicContact CG2-CG2 3.77Å; T273-V282 VanDerWaalsContact OG1-CG2 3.32Å; T273-V282 WeakPolarHBondContact OG1-CG2 3.46Å; R277-V282 VanDerWaalsContact NH2-N 3.19Å; V282-L287 HydrophobicContact CG1-CD1 4.4Å; V282-L287 HydrophobicContact CG1-CD2 3.61Å; V282-L287 HydrophobicContact CG1-CG 3.72Å
283T89.2Confident83.4Confident21 Ų2147.9 Ų47.913%0.12926%0.261CS..  trans-116.4166.3169.265.70000109.8Y234 K245 Q285 D286 L287Y234-T283 VanDerWaalsContact OH-CA 3.3Å; Y234-T283 WeakPolarHBondContact OH-CA 3.27Å; K245-T283 HydrophobicContact CG-CG2 3.72Å; T283-Q285 PolarHBondContact O-N 2.65Å; T283-D286 WeakPolarHBondContact CA-OD2 3.48Å; T283-D286 WeakPolarHBondContact CB-OD2 3.27Å; T283-D286 PolarHBondContact N-OD2 2.85Å; T283-D286 PolarHBondContact O-N 3.13Å; T283-D286 VanDerWaalsContact OG1-CG 3.23Å; T283-D286 PolarHBondContact OG1-N 3.22Å; T283-D286 PolarHBondContact OG1-OD2 3.07Å; T283-L287 PolarHBondContact O-N 3.44Å
284Y84.9Confident81.5Confident57 Ų5751 Ų5122%0.22428%0.275CS..Hα-helixtrans-60.2-35.7176.3-168.3-99.2000112.2K231 Y234 L235 T242 L287 C288K231-Y284 HydrophobicContact CB-CE2 3.96Å; K231-Y284 HydrophobicContact CD-CE2 4.44Å; K231-Y284 HydrophobicContact CG-CE2 4.11Å; Y234-Y284 AromaticContact CD1-CD2 3.87Å; Y234-Y284 HydrophobicContact CD1-CD2 3.87Å; Y234-Y284 HydrophobicContact CE1-CD2 4.2Å; Y234-Y284 HydrophobicContact CE1-CG 4.39Å; Y234-Y284 PolarHBondContact OH-N 3.31Å; L235-Y284 HydrophobicContact CD1-CD2 4.42Å; L235-Y284 HydrophobicContact CD1-CE2 3.67Å; L235-Y284 HydrophobicContact CD2-CD2 3.84Å; L235-Y284 HydrophobicContact CD2-CE2 3.9Å; L235-Y284 HydrophobicContact CG-CD2 3.99Å; L235-Y284 HydrophobicContact CG-CE2 3.72Å; T242-Y284 HydrophobicContact CG2-CD1 3.79Å; T242-Y284 HydrophobicContact CG2-CE1 4.35Å; T242-Y284 HydrophobicContact CG2-CG 3.9Å; T242-Y284 WeakPolarHBondContact O-CB 3.28Å; T242-Y284 PolarHBondContact O-N 2.68Å; Y284-L287 WeakPolarHBondContact O-CB 3.26Å; Y284-L287 PolarHBondContact O-N 3.36Å; Y284-C288 VanDerWaalsContact CE1-SG 3.54Å; Y284-C288 PolarHBondContact O-N 3.46Å; Y284-C288 PolarHBondContact O-SG 2.96Å
285Q80.7Confident79.2Confident112 Ų11252.1 Ų52.152%0.52328%0.278SS..Hα-helixtrans-65.2-42.3177.8-173.161.339.100111.1T283 L287 C288 D289T283-Q285 PolarHBondContact O-N 2.65Å; Q285-L287 VanDerWaalsContact C-N 3.27Å; Q285-L287 PolarHBondContact O-N 3.31Å; Q285-C288 CarbonylContact O-C 3.58Å; Q285-C288 WeakPolarHBondContact O-CA 3.46Å; Q285-C288 WeakPolarHBondContact O-CB 3.49Å; Q285-C288 PolarHBondContact O-N 2.79Å; Q285-D289 PolarHBondContact NE2-OD1 3.36Å; Q285-D289 PolarHBondContact O-N 3.31Å
286D87.6Confident76.8Confident16 Ų1654 Ų549%0.08629%0.289CS..Hα-helixtrans-61.6-39.5177.2-50.8-57.3000111T273 L276 R277 T283 C288 D289 I290T273-D286 HydrophobicContact CG2-CB 4.21Å; L276-D286 HydrophobicContact CD1-CB 3.92Å; R277-D286 IonicContact CZ-OD2 3.57Å; R277-D286 IonicContact NE-OD1 2.86Å; R277-D286 IonicContact NE-OD2 3.7Å; R277-D286 PolarHBondContact NE-OD2 3.45Å; R277-D286 IonicContact NH2-OD2 3.9Å; R277-D286 PolarHBondContact NH2-OD2 3.45Å; T283-D286 WeakPolarHBondContact CA-OD2 3.48Å; T283-D286 WeakPolarHBondContact CB-OD2 3.27Å; T283-D286 PolarHBondContact N-OD2 2.85Å; T283-D286 PolarHBondContact O-N 3.13Å; T283-D286 VanDerWaalsContact OG1-CG 3.23Å; T283-D286 PolarHBondContact OG1-N 3.22Å; T283-D286 PolarHBondContact OG1-OD2 3.07Å; D286-C288 VanDerWaalsContact C-N 3.32Å; D286-C288 PolarHBondContact O-N 3.43Å; D286-D289 PolarHBondContact O-N 3.05Å; D286-I290 WeakPolarHBondContact O-CG1 3.45Å; D286-I290 PolarHBondContact O-N 2.8Å; D286-I290 VanDerWaalsContact O-N 3.12Å
287L88.4Confident74.6Confident0 Ų051.7 Ų51.70%028%0.278CS..Hα-helixtrans-60.1-42.2173.4-63.7179.5000111.6M227 V230 K231 Y234 L269 V282 T283 Y284 Q285 D289 I290 T291M227-L287 HydrophobicContact CE-CD2 4.2Å; V230-L287 HydrophobicContact CG1-CD1 4.31Å; V230-L287 HydrophobicContact CG1-CD2 3.96Å; K231-L287 HydrophobicContact CG-CB 4.13Å; K231-L287 HydrophobicContact CG-CD1 4.21Å; Y234-L287 HydrophobicContact CD2-CD1 4.01Å; Y234-L287 HydrophobicContact CG-CD1 3.93Å; L269-L287 HydrophobicContact CD1-CD2 3.75Å; L269-L287 HydrophobicContact CD2-CD2 4.29Å; L269-L287 HydrophobicContact CG-CD2 4.45Å; V282-L287 HydrophobicContact CG1-CD1 4.4Å; V282-L287 HydrophobicContact CG1-CD2 3.61Å; V282-L287 HydrophobicContact CG1-CG 3.72Å; T283-L287 PolarHBondContact O-N 3.44Å; Y284-L287 WeakPolarHBondContact O-CB 3.26Å; Y284-L287 PolarHBondContact O-N 3.36Å; Q285-L287 VanDerWaalsContact C-N 3.27Å; Q285-L287 PolarHBondContact O-N 3.31Å; L287-D289 VanDerWaalsContact C-N 3.34Å; L287-I290 HydrophobicContact CD2-CD1 4.43Å; L287-I290 WeakPolarHBondContact O-CG1 3.46Å; L287-T291 WeakPolarHBondContact O-CB 3.42Å; L287-T291 PolarHBondContact O-N 3.5Å; L287-T291 PolarHBondContact O-OG1 2.84Å
288C83.1Confident72.4Confident43 Ų4351.4 Ų51.429%0.29128%0.279SS..Hα-helixtrans-64.1-37.1175.2-71.50000112.7Y284 Q285 D286Y284-C288 VanDerWaalsContact CE1-SG 3.54Å; Y284-C288 PolarHBondContact O-N 3.46Å; Y284-C288 PolarHBondContact O-SG 2.96Å; Q285-C288 CarbonylContact O-C 3.58Å; Q285-C288 WeakPolarHBondContact O-CA 3.46Å; Q285-C288 WeakPolarHBondContact O-CB 3.49Å; Q285-C288 PolarHBondContact O-N 2.79Å; D286-C288 VanDerWaalsContact C-N 3.32Å; D286-C288 PolarHBondContact O-N 3.43Å
289D81Confident70.4Confident68 Ų6844 Ų4436%0.36425%0.254SS..Hα-helixtrans-76.3-22.8-176.6-64.2-18.3000113T191 L276 Q285 D286 L287T191-D289 WeakPolarHBondContact CG2-O 3.49Å; T191-D289 PolarHBondContact OG1-O 3.43Å; L276-D289 HydrophobicContact CD1-CB 3.75Å; L276-D289 HydrophobicContact CD2-CB 4.43Å; Q285-D289 PolarHBondContact NE2-OD1 3.36Å; Q285-D289 PolarHBondContact O-N 3.31Å; D286-D289 PolarHBondContact O-N 3.05Å; L287-D289 VanDerWaalsContact C-N 3.34Å
290I85.2Confident68.3Low0 Ų044.1 Ų44.10%025%0.25CC..Hα-helixtrans-96.8-20.9174.567.5169.4000113.7T191 I194 M227 L269 L272 T273 L276 D286 L287T191-I290 WeakPolarHBondContact CG2-O 3.32Å; I194-I290 HydrophobicContact CD1-CB 3.98Å; I194-I290 WeakPolarHBondContact CD1-O 3.35Å; M227-I290 HydrophobicContact SD-CD1 3.98Å; M227-I290 HydrophobicContact SD-CG1 4.14Å; L269-I290 HydrophobicContact CD1-CD1 3.56Å; L272-I290 HydrophobicContact CB-CD1 4.25Å; T273-I290 HydrophobicContact CG2-CD1 3.81Å; L276-I290 HydrophobicContact CD1-CG2 3.69Å; D286-I290 WeakPolarHBondContact O-CG1 3.45Å; D286-I290 PolarHBondContact O-N 2.8Å; D286-I290 VanDerWaalsContact O-N 3.12Å; L287-I290 HydrophobicContact CD2-CD1 4.43Å; L287-I290 WeakPolarHBondContact O-CG1 3.46Å
291T79.1Confident66.1Low6 Ų644.9 Ų44.94%0.03724%0.242CC..SBendtrans-77.5130.7171.3-46.90000106.4T191 M227 K231 L287 V293T191-T291 WeakPolarHBondContact CG2-O 3.34Å; M227-T291 HydrophobicContact CB-CG2 3.63Å; M227-T291 HydrophobicContact CG-CG2 4.17Å; K231-T291 WeakPolarHBondContact CE-OG1 3.49Å; K231-T291 PolarHBondContact NZ-OG1 2.88Å; L287-T291 WeakPolarHBondContact O-CB 3.42Å; L287-T291 PolarHBondContact O-N 3.5Å; L287-T291 PolarHBondContact O-OG1 2.84Å; T291-V293 PolarHBondContact O-N 3.42Å
292P68.1Low63.5Low24 Ų2448.8 Ų48.816%0.15626%0.259CS..  trans-45.8145163.8-21.229.6000107.8R188 L189 T191 E294R188-P292 VanDerWaalsContact O-CG 3.3Å; R188-P292 WeakPolarHBondContact O-CG 3.35Å; L189-P292 WeakPolarHBondContact O-CD 3.38Å; L189-P292 WeakPolarHBondContact O-CG 3.39Å; T191-P292 VanDerWaalsContact CG2-N 3.34Å; P292-E294 PolarHBondContact O-N 2.89Å
293V52.9Low60.8Low124 Ų12449.6 Ų49.675%0.75226%0.263SS*.  trans-59.794.8157.4-177.20000102.9T291 D295T291-V293 PolarHBondContact O-N 3.42Å; V293-D295 PolarHBondContact O-N 3.48Å
294E48.8Very low58.4Low68 Ų6849.9 Ų49.932%0.31827%0.267SS..  trans-49.9112.9149.3-84.2-162.6-165.200100.6P292 N296 R652P292-E294 PolarHBondContact O-N 2.89Å; E294-N296 PolarHBondContact O-N 2.74Å; E294-R652 IonicContact OE2-CZ 2.79Å; E294-R652 IonicContact OE2-NE 3.72Å; E294-R652 PolarHBondContact OE2-NE 3.21Å; E294-R652 IonicContact OE2-NH2 3.9Å; E294-R652 PolarHBondContact OE2-NH2 3.47Å
295D41.4Very low56Low58 Ų5855.3 Ų55.331%0.3129%0.287SS..  trans-42101.5157.9-78.7-35.3000102.3V293 S297V293-D295 PolarHBondContact O-N 3.48Å; D295-S297 WeakPolarHBondContact O-CB 3.47Å; D295-S297 PolarHBondContact O-N 2.84Å; D295-S297 PolarHBondContact O-OG 3.35Å
296N35.5Very low53.9Low82 Ų8251.4 Ų51.444%0.43927%0.27SS..  trans-69.359.2168.6-84.8-28.1000102.6E294 L298E294-N296 PolarHBondContact O-N 2.74Å; N296-L298 HydrophobicContact CB-CD1 4.24Å; N296-L298 HydrophobicContact CB-CG 4.06Å; N296-L298 WeakPolarHBondContact O-CB 3.42Å; N296-L298 WeakPolarHBondContact O-CD1 3.28Å; N296-L298 WeakPolarHBondContact O-CG 3.34Å; N296-L298 PolarHBondContact O-N 3.4Å
297S37.8Very low51.2Low14 Ų1455.9 Ų55.910%0.09829%0.29CS..  -34.766.112266.50000108.6D295 S299 T644 R652D295-S297 WeakPolarHBondContact O-CB 3.47Å; D295-S297 PolarHBondContact O-N 2.84Å; D295-S297 PolarHBondContact O-OG 3.35Å; S297-S299 PolarHBondContact O-N 3.25Å; S297-T644 VanDerWaalsContact CA-CG2 3.48Å; S297-R652 PolarHBondContact OG-NH1 2.61Å
298L39.4Very low48.6Very low33 Ų3357.8 Ų57.817%0.17331%0.31CS..  trans-4883.1149.4-66.4144.8000102.2N296 Y300 M302 E303 L306N296-L298 HydrophobicContact CB-CD1 4.24Å; N296-L298 HydrophobicContact CB-CG 4.06Å; N296-L298 WeakPolarHBondContact O-CB 3.42Å; N296-L298 WeakPolarHBondContact O-CD1 3.28Å; N296-L298 WeakPolarHBondContact O-CG 3.34Å; N296-L298 PolarHBondContact O-N 3.4Å; L298-Y300 PolarHBondContact O-N 2.81Å; L298-Y300 VanDerWaalsContact O-N 3.13Å; L298-M302 HydrophobicContact CB-CB 3.98Å; L298-M302 HydrophobicContact CD2-CB 3.34Å; L298-M302 HydrophobicContact CD2-CE 4.14Å; L298-M302 HydrophobicContact CD2-CG 3.27Å; L298-M302 HydrophobicContact CD2-SD 4.31Å; L298-M302 HydrophobicContact CG-CB 4.26Å; L298-E303 HydrophobicContact CB-CB 3.93Å; L298-E303 HydrophobicContact CB-CG 3.62Å; L298-E303 HydrophobicContact CD1-CG 3.55Å; L298-E303 HydrophobicContact CG-CG 4.09Å; L298-L306 HydrophobicContact CD1-CD1 4.32Å; L298-L306 HydrophobicContact CD2-CD1 3.8Å
299S39.6Very low46.1Very low55 Ų5560.3 Ų60.339%0.38532%0.316SS..  trans-40.7128.6166.3172.40000104.9S297 N301 M302S297-S299 PolarHBondContact O-N 3.25Å; S299-N301 CarbonylContact O-C 3.59Å; S299-N301 WeakPolarHBondContact O-CA 3.22Å; S299-N301 PolarHBondContact O-N 2.89Å; S299-M302 PolarHBondContact O-N 3.35Å
300Y41.5Very low43.5Very low71 Ų7160.9 Ų60.928%0.27833%0.325SS..THydrogen-bonded Turntrans-15.5-46.2-170171.9-91.7000115.4H4 L298 M302 E303 A304 Y641H4-Y300 AromaticContact CE1-CD1 3.44Å; H4-Y300 VanDerWaalsContact CE1-CD1 3.44Å; H4-Y300 WeakPolarHBondContact CE1-CD1 3.24Å; H4-Y300 AromaticContact CE1-CE1 3.57Å; H4-Y300 AromaticContact ND1-CD1 3.4Å; H4-Y300 WeakPolarHBondContact ND1-CD1 3.49Å; H4-Y300 AromaticContact ND1-CD2 3.99Å; H4-Y300 AromaticContact ND1-CE1 3.24Å; H4-Y300 WeakPolarHBondContact ND1-CE1 3.39Å; H4-Y300 AromaticContact ND1-CE2 3.87Å; H4-Y300 AromaticContact ND1-CG 3.77Å; H4-Y300 AromaticContact ND1-CZ 3.49Å; L298-Y300 PolarHBondContact O-N 2.81Å; L298-Y300 VanDerWaalsContact O-N 3.13Å; Y300-M302 PolarHBondContact O-N 3.38Å; Y300-E303 PolarHBondContact O-N 3.17Å; Y300-A304 HydrophobicContact CD1-CB 4.21Å; Y300-A304 HydrophobicContact CD2-CB 4.49Å; Y300-A304 HydrophobicContact CE1-CB 3.97Å; Y300-A304 HydrophobicContact CE2-CB 4.25Å; Y300-A304 HydrophobicContact CG-CB 4.47Å; Y300-A304 WeakPolarHBondContact O-CA 3.35Å; Y300-A304 WeakPolarHBondContact O-CB 3.26Å; Y300-A304 PolarHBondContact O-N 3.49Å; Y300-Y641 HydrophobicContact CD2-CE2 4.05Å; Y300-Y641 AromaticContact CD2-CZ 3.83Å; Y300-Y641 WeakPolarHBondContact CD2-OH 3.3Å
301N40.5Very low40.8Very low65 Ų6564.2 Ų64.235%0.34836%0.36SS..Hα-helixtrans-49.5-41.7173.9-63.5-47.1000117.4S299 R305S299-N301 CarbonylContact O-C 3.59Å; S299-N301 WeakPolarHBondContact O-CA 3.22Å; S299-N301 PolarHBondContact O-N 2.89Å; N301-R305 WeakPolarHBondContact O-CB 3.31Å; N301-R305 VanDerWaalsContact O-CD 3.31Å; N301-R305 WeakPolarHBondContact O-CD 3.34Å; N301-R305 WeakPolarHBondContact O-CG 3.32Å; N301-R305 PolarHBondContact O-N 3.18Å; N301-R305 VanDerWaalsContact O-N 3.1Å
302M38.1Very low38.5Very low107 Ų10771.2 Ų71.253%0.52740%0.397SS..Hα-helixtrans-83.1-39.3-177.9-156.9137.4137.700110.8L298 S299 Y300 R305 L306L298-M302 HydrophobicContact CB-CB 3.98Å; L298-M302 HydrophobicContact CD2-CB 3.34Å; L298-M302 HydrophobicContact CD2-CE 4.14Å; L298-M302 HydrophobicContact CD2-CG 3.27Å; L298-M302 HydrophobicContact CD2-SD 4.31Å; L298-M302 HydrophobicContact CG-CB 4.26Å; S299-M302 PolarHBondContact O-N 3.35Å; Y300-M302 PolarHBondContact O-N 3.38Å; M302-R305 CarbonylContact O-C 3.5Å; M302-R305 WeakPolarHBondContact O-CA 3.45Å; M302-R305 VanDerWaalsContact O-CB 3.32Å; M302-R305 WeakPolarHBondContact O-CB 3.4Å; M302-R305 PolarHBondContact O-N 3.45Å; M302-L306 HydrophobicContact CG-CD1 4.48Å; M302-L306 HydrophobicContact CG-CG 4.49Å; M302-L306 WeakPolarHBondContact O-CB 3.16Å; M302-L306 WeakPolarHBondContact O-CG 3.35Å; M302-L306 PolarHBondContact O-N 2.86Å
303E33.3Very low36.7Very low17 Ų1777 Ų778%0.07943%0.427CS..Hα-helixtrans-72.2-41173.8-101.7173.7179.500113.4L298 Y300 R305 L306 Q307 F629L298-E303 HydrophobicContact CB-CB 3.93Å; L298-E303 HydrophobicContact CB-CG 3.62Å; L298-E303 HydrophobicContact CD1-CG 3.55Å; L298-E303 HydrophobicContact CG-CG 4.09Å; Y300-E303 PolarHBondContact O-N 3.17Å; E303-R305 PolarHBondContact O-N 3.45Å; E303-L306 CarbonylContact O-C 3.57Å; E303-L306 WeakPolarHBondContact O-CA 3.44Å; E303-L306 PolarHBondContact O-N 2.92Å; E303-Q307 WeakPolarHBondContact O-CB 3.1Å; E303-Q307 PolarHBondContact O-N 3.2Å; E303-F629 HydrophobicContact CB-CZ 4.35Å; E303-F629 HydrophobicContact CG-CZ 3.93Å; E303-F629 WeakPolarHBondContact OE1-CZ 3.35Å; E303-F629 WeakPolarHBondContact OE2-CE1 3.5Å; E303-F629 WeakPolarHBondContact OE2-CZ 3.44Å
304A39.8Very low35.4Very low28 Ų2878.5 Ų78.523%0.23143%0.429CS..Hα-helixtrans-57.1-41.5168.800000109.3Y300 L306 G308 R615Y300-A304 HydrophobicContact CD1-CB 4.21Å; Y300-A304 HydrophobicContact CD2-CB 4.49Å; Y300-A304 HydrophobicContact CE1-CB 3.97Å; Y300-A304 HydrophobicContact CE2-CB 4.25Å; Y300-A304 HydrophobicContact CG-CB 4.47Å; Y300-A304 WeakPolarHBondContact O-CA 3.35Å; Y300-A304 WeakPolarHBondContact O-CB 3.26Å; Y300-A304 PolarHBondContact O-N 3.49Å; A304-L306 PolarHBondContact O-N 3.2Å; A304-G308 PolarHBondContact O-N 3.23Å; A304-R615 VanDerWaalsContact C-NH2 3.3Å; A304-R615 PolarHBondContact O-NH1 3.17Å; A304-R615 PolarHBondContact O-NH2 3.44Å
305R35.2Very low34.4Very low170 Ų17082.3 Ų82.364%0.64245%0.452SS*.Hα-helixtrans-59.8-38.3170.2-80.9173.6-179.2171.41.6113.3N301 M302 E303 K309 R615N301-R305 WeakPolarHBondContact O-CB 3.31Å; N301-R305 VanDerWaalsContact O-CD 3.31Å; N301-R305 WeakPolarHBondContact O-CD 3.34Å; N301-R305 WeakPolarHBondContact O-CG 3.32Å; N301-R305 PolarHBondContact O-N 3.18Å; N301-R305 VanDerWaalsContact O-N 3.1Å; M302-R305 CarbonylContact O-C 3.5Å; M302-R305 WeakPolarHBondContact O-CA 3.45Å; M302-R305 VanDerWaalsContact O-CB 3.32Å; M302-R305 WeakPolarHBondContact O-CB 3.4Å; M302-R305 PolarHBondContact O-N 3.45Å; E303-R305 PolarHBondContact O-N 3.45Å; R305-K309 WeakPolarHBondContact O-CB 3.32Å; R305-R615 VanDerWaalsContact CA-NH2 3.26Å; R305-R615 PolarHBondContact O-NH1 3.16Å
306L35.4Very low33.7Very low31 Ų3185 Ų8516%0.16247%0.47CS..Hα-helixtrans-85.7-48.4-175.7-67.3-174.6000114.6L298 M302 E303 A304 G308 K309 S310 N623L298-L306 HydrophobicContact CD1-CD1 4.32Å; L298-L306 HydrophobicContact CD2-CD1 3.8Å; M302-L306 HydrophobicContact CG-CD1 4.48Å; M302-L306 HydrophobicContact CG-CG 4.49Å; M302-L306 WeakPolarHBondContact O-CB 3.16Å; M302-L306 WeakPolarHBondContact O-CG 3.35Å; M302-L306 PolarHBondContact O-N 2.86Å; E303-L306 CarbonylContact O-C 3.57Å; E303-L306 WeakPolarHBondContact O-CA 3.44Å; E303-L306 PolarHBondContact O-N 2.92Å; A304-L306 PolarHBondContact O-N 3.2Å; L306-G308 VanDerWaalsContact C-N 3.33Å; L306-G308 PolarHBondContact O-N 2.85Å; L306-K309 CarbonylContact O-C 3.51Å; L306-K309 VanDerWaalsContact O-CA 3.31Å; L306-K309 WeakPolarHBondContact O-CA 3.22Å; L306-K309 PolarHBondContact O-N 3.13Å; L306-S310 PolarHBondContact O-N 3.17Å; L306-N623 HydrophobicContact CD1-CB 4.25Å; L306-N623 HydrophobicContact CD2-CB 4.09Å; L306-N623 WeakPolarHBondContact CD2-ND2 3.39Å
307Q31.4Very low33.3Very low109 Ų10985.3 Ų85.351%0.50948%0.477SS..Hα-helixtrans-61.5-38.9174.4-80.5-166.5-17.400111.9E303 K309 F629E303-Q307 WeakPolarHBondContact O-CB 3.1Å; E303-Q307 PolarHBondContact O-N 3.2Å; Q307-K309 PolarHBondContact O-N 2.98Å; Q307-F629 HydrophobicContact CG-CZ 4.24Å
308G34.2Very low32.9Very low40 Ų4093.3 Ų93.341%0.41251%0.512SS..THydrogen-bonded Turntrans-73.45.4171.200000113.4A304 L306 R615A304-G308 PolarHBondContact O-N 3.23Å; L306-G308 VanDerWaalsContact C-N 3.33Å; L306-G308 PolarHBondContact O-N 2.85Å; G308-R615 VanDerWaalsContact CA-CZ 3.46Å; G308-R615 WeakPolarHBondContact O-CD 3.44Å; G308-R615 PolarHBondContact O-NH1 2.85Å
309K29.8Very low32.8Very low96 Ų9695.6 Ų95.642%0.41754%0.543SS..THydrogen-bonded Turntrans-126.2-9.8179-87.2-176.6179.2-166.90114.7R305 L306 Q307 S618 G619R305-K309 WeakPolarHBondContact O-CB 3.32Å; L306-K309 CarbonylContact O-C 3.51Å; L306-K309 VanDerWaalsContact O-CA 3.31Å; L306-K309 WeakPolarHBondContact O-CA 3.22Å; L306-K309 PolarHBondContact O-N 3.13Å; Q307-K309 PolarHBondContact O-N 2.98Å; K309-S618 VanDerWaalsContact CE-O 3.3Å; K309-S618 WeakPolarHBondContact CE-O 3.46Å; K309-S618 PolarHBondContact NZ-O 3.2Å; K309-G619 PolarHBondContact NZ-O 2.98Å
310S26.5Very low32.8Very low80 Ų8098 Ų9856%0.55954%0.544SS*.SBendtrans-156.3117.2-178.3-163.20000113.9L306L306-S310 PolarHBondContact O-N 3.17Å
311G27.5Very low33.3Very low71 Ų7197.7 Ų97.773%0.73255%0.552SS**  trans113.897.8147.800000117.2
312N32.3Very low34.1Very low152 Ų152100 Ų10081%0.81357%0.569SS**  trans-50150.9147.1-85.9-23.5000110.6
313N29.1Very low35.2Very low147 Ų147100.4 Ų100.479%0.78657%0.572SS**  trans79.885.7172.5-57.2-10.4000115.1
314I27.2Very low36.8Very low154 Ų154102.8 Ų102.879%0.7958%0.584SS**SBend-178.3128.4103.9-83.7152000107.7
315N26Very low37.5Very low148 Ų148103.5 Ų103.579%0.79159%0.587SS**  trans52.892165.7-59.3-15.9000118.1P317N315-P317 VanDerWaalsContact O-CD 3.27Å; N315-P317 WeakPolarHBondContact O-CD 3.48Å
316V27.2Very low39Very low116 Ų11699.8 Ų99.870%0.70358%0.579SS**  trans-70.5117.3167.4-179.20000109.9
317P28.1Very low40.7Very low88 Ų88102 Ų10257%0.57159%0.591SS**  trans-83.2117.9156.62.818.5000107.8N315N315-P317 VanDerWaalsContact O-CD 3.27Å; N315-P317 WeakPolarHBondContact O-CD 3.48Å
318H29Very low42.3Very low181 Ų18197.8 Ų97.884%0.83857%0.571SS**SBendtrans26.5103.3155.6-73.363000118
319G36.3Very low43.8Very low81 Ų81102 Ų10284%0.83558%0.58SS**SBendtrans150.5-21.3156.500000116.1
320R40.1Very low45.8Very low106 Ų106100.6 Ų100.640%0.458%0.582SS.*  trans-112.7100.3-178.4-128.5171-178-147.5-14.2110.4E328 F612R320-E328 IonicContact CZ-OE2 3Å; R320-E328 IonicContact NH1-OE2 2.88Å; R320-E328 IonicContact NH2-OE2 3.55Å; R320-E328 PolarHBondContact NH2-OE2 3.02Å; R320-F612 PolarHBondContact NH2-O 3.28Å; R320-F612 VanDerWaalsContact NH2-O 3.15Å
321S53.4Low48.2Very low65 Ų6599.1 Ų99.146%0.45556%0.564SS.*  trans-66.5144.717687.20000109.9L323 M324 S325S321-L323 PolarHBondContact O-N 3.12Å; S321-L323 VanDerWaalsContact O-N 3.07Å; S321-L323 VanDerWaalsContact OG-CB 3.32Å; S321-L323 WeakPolarHBondContact OG-CB 3.5Å; S321-L323 PolarHBondContact OG-N 3.35Å; S321-M324 WeakPolarHBondContact O-CB 3.2Å; S321-M324 PolarHBondContact O-N 3.05Å; S321-M324 PolarHBondContact OG-N 2.97Å; S321-S325 PolarHBondContact O-N 2.95Å
322V56Low50.3Low113 Ų113100.9 Ų100.969%0.68555%0.549SS*.Hα-helixtrans-49.9-33.6172.7173.20000111.2M324 S325 I326V322-M324 VanDerWaalsContact C-N 3.34Å; V322-M324 PolarHBondContact O-N 3.09Å; V322-S325 PolarHBondContact O-N 2.98Å; V322-I326 HydrophobicContact CG1-CD1 3.79Å; V322-I326 HydrophobicContact CG1-CG1 4.32Å; V322-I326 WeakPolarHBondContact O-CG1 3.37Å; V322-I326 PolarHBondContact O-N 3.12Å
323L62Low52.4Low116 Ų11698.1 Ų98.161%0.60753%0.53SS*.Hα-helixtrans-58-43.9174.5-17099.8000111.7S321 S325 I326 L327S321-L323 PolarHBondContact O-N 3.12Å; S321-L323 VanDerWaalsContact O-N 3.07Å; S321-L323 VanDerWaalsContact OG-CB 3.32Å; S321-L323 WeakPolarHBondContact OG-CB 3.5Å; S321-L323 PolarHBondContact OG-N 3.35Å; L323-S325 VanDerWaalsContact C-N 3.34Å; L323-S325 PolarHBondContact O-N 3.26Å; L323-I326 PolarHBondContact O-N 3.14Å; L323-L327 HydrophobicContact CD2-CD1 3.81Å; L323-L327 HydrophobicContact CG-CD1 4Å; L323-L327 HydrophobicContact CG-CG 4.38Å; L323-L327 VanDerWaalsContact O-CB 3.31Å; L323-L327 WeakPolarHBondContact O-CB 2.99Å; L323-L327 VanDerWaalsContact O-CG 3.22Å; L323-L327 WeakPolarHBondContact O-CG 3.33Å; L323-L327 PolarHBondContact O-N 2.91Å
324M67.2Low54.8Low66 Ų6694.5 Ų94.533%0.32551%0.513SS..Hα-helixtrans-64.9-39.1-179.5-156.170.816500111.7S321 V322 L327 E328 F612S321-M324 WeakPolarHBondContact O-CB 3.2Å; S321-M324 PolarHBondContact O-N 3.05Å; S321-M324 PolarHBondContact OG-N 2.97Å; V322-M324 VanDerWaalsContact C-N 3.34Å; V322-M324 PolarHBondContact O-N 3.09Å; M324-L327 PolarHBondContact O-N 2.86Å; M324-E328 WeakPolarHBondContact O-CB 3.45Å; M324-E328 PolarHBondContact O-N 3.43Å; M324-F612 HydrophobicContact CE-CB 4.12Å; M324-F612 HydrophobicContact CE-CD1 3.63Å; M324-F612 HydrophobicContact CE-CE1 4.48Å; M324-F612 HydrophobicContact CE-CG 4.27Å; M324-F612 HydrophobicContact CG-CB 4.35Å; M324-F612 HydrophobicContact CG-CD1 4.1Å; M324-F612 HydrophobicContact SD-CD1 3.77Å; M324-F612 HydrophobicContact SD-CE1 4.46Å
325S54.5Low57.4Low43 Ų4387.3 Ų87.330%0.30148%0.476SS..Hα-helixtrans-69.7-37.7175.8-600000112.8S321 V322 L323 E328 Q329S321-S325 PolarHBondContact O-N 2.95Å; V322-S325 PolarHBondContact O-N 2.98Å; L323-S325 VanDerWaalsContact C-N 3.34Å; L323-S325 PolarHBondContact O-N 3.26Å; S325-E328 PolarHBondContact O-N 2.81Å; S325-Q329 WeakPolarHBondContact O-CG 3.35Å; S325-Q329 PolarHBondContact O-N 3.49Å
326I66.7Low59.9Low92 Ų9281.6 Ų81.647%0.47245%0.453SS..Hα-helixtrans-64.5-46.2172.3-69.2170.7000109.7V322 L323 E328 Q329 C330V322-I326 HydrophobicContact CG1-CD1 3.79Å; V322-I326 HydrophobicContact CG1-CG1 4.32Å; V322-I326 WeakPolarHBondContact O-CG1 3.37Å; V322-I326 PolarHBondContact O-N 3.12Å; L323-I326 PolarHBondContact O-N 3.14Å; I326-E328 VanDerWaalsContact C-N 3.33Å; I326-E328 PolarHBondContact O-N 2.98Å; I326-Q329 PolarHBondContact O-N 3.21Å; I326-C330 WeakPolarHBondContact O-CB 3.4Å; I326-C330 PolarHBondContact O-N 3.18Å; I326-C330 PolarHBondContact O-SG 2.97Å; I326-C330 VanDerWaalsContact O-SG 3.33Å
327L71Confident62.4Low77 Ų7777 Ų7740%0.40343%0.426SS..Hα-helixtrans-60-42.4176.8-76.2170.9000111.5L323 M324 Q329 C330 Y331 F612L323-L327 HydrophobicContact CD2-CD1 3.81Å; L323-L327 HydrophobicContact CG-CD1 4Å; L323-L327 HydrophobicContact CG-CG 4.38Å; L323-L327 VanDerWaalsContact O-CB 3.31Å; L323-L327 WeakPolarHBondContact O-CB 2.99Å; L323-L327 VanDerWaalsContact O-CG 3.22Å; L323-L327 WeakPolarHBondContact O-CG 3.33Å; L323-L327 PolarHBondContact O-N 2.91Å; M324-L327 PolarHBondContact O-N 2.86Å; L327-Q329 PolarHBondContact O-N 3.35Å; L327-C330 PolarHBondContact O-N 3.4Å; L327-Y331 WeakPolarHBondContact O-CB 3.24Å; L327-Y331 PolarHBondContact O-N 2.9Å; L327-F612 HydrophobicContact CB-CD1 4.3Å; L327-F612 HydrophobicContact CB-CE1 3.74Å; L327-F612 HydrophobicContact CB-CZ 4.49Å
328E65.2Low65.1Low21 Ų2176 Ų7610%0.09842%0.415CS..Hα-helixtrans-62.5-41.4176.3-174.5179.7178.200111.6R320 M324 S325 I326 Y331 R332 F612R320-E328 IonicContact CZ-OE2 3Å; R320-E328 IonicContact NH1-OE2 2.88Å; R320-E328 IonicContact NH2-OE2 3.55Å; R320-E328 PolarHBondContact NH2-OE2 3.02Å; M324-E328 WeakPolarHBondContact O-CB 3.45Å; M324-E328 PolarHBondContact O-N 3.43Å; S325-E328 PolarHBondContact O-N 2.81Å; I326-E328 VanDerWaalsContact C-N 3.33Å; I326-E328 PolarHBondContact O-N 2.98Å; E328-Y331 WeakPolarHBondContact O-CB 3.31Å; E328-Y331 PolarHBondContact O-N 3.46Å; E328-R332 WeakPolarHBondContact O-CB 3.42Å; E328-R332 VanDerWaalsContact O-CG 3.26Å; E328-R332 WeakPolarHBondContact O-CG 3.35Å; E328-R332 PolarHBondContact O-N 3.04Å; E328-R332 IonicContact OE1-CZ 3.81Å; E328-R332 IonicContact OE1-NE 3.8Å; E328-R332 PolarHBondContact OE1-NE 3.43Å; E328-R332 IonicContact OE1-NH2 2.94Å; E328-R332 PolarHBondContact OE1-NH2 3.4Å; E328-F612 HydrophobicContact CB-CB 4.17Å; E328-F612 HydrophobicContact CB-CD1 4.44Å; E328-F612 HydrophobicContact CB-CD2 4.27Å; E328-F612 HydrophobicContact CB-CG 4.05Å; E328-F612 HydrophobicContact CG-CB 4.27Å; E328-F612 HydrophobicContact CG-CD2 4.27Å; E328-F612 HydrophobicContact CG-CG 4.35Å
329Q65.4Low67.7Low128 Ų12867.3 Ų67.360%0.59838%0.375SS*.Hα-helixtrans-67-44.2175.4-74.1-17567.800112S325 I326 L327 Y331 R332 F333S325-Q329 WeakPolarHBondContact O-CG 3.35Å; S325-Q329 PolarHBondContact O-N 3.49Å; I326-Q329 PolarHBondContact O-N 3.21Å; L327-Q329 PolarHBondContact O-N 3.35Å; Q329-Y331 VanDerWaalsContact C-N 3.26Å; Q329-Y331 PolarHBondContact O-N 3.17Å; Q329-R332 PolarHBondContact O-N 3.31Å; Q329-F333 WeakPolarHBondContact O-CB 3.49Å; Q329-F333 PolarHBondContact O-N 3.12Å
330C72.4Confident69.9Low68 Ų6863.7 Ų63.746%0.45934%0.337SS..Hα-helixtrans-59.7-39.7173-720000111.2I326 L327 F333 T334I326-C330 WeakPolarHBondContact O-CB 3.4Å; I326-C330 PolarHBondContact O-N 3.18Å; I326-C330 PolarHBondContact O-SG 2.97Å; I326-C330 VanDerWaalsContact O-SG 3.33Å; L327-C330 PolarHBondContact O-N 3.4Å; C330-F333 PolarHBondContact O-N 3.31Å; C330-T334 VanDerWaalsContact O-CB 3.29Å; C330-T334 WeakPolarHBondContact O-CB 3.36Å; C330-T334 PolarHBondContact O-N 3.04Å; C330-T334 PolarHBondContact O-OG1 3.34Å
331Y75.6Confident72.1Confident48 Ų4859.4 Ų59.419%0.18833%0.325CS..Hα-helixtrans-63.7-52.6177.4-178.6-107.4000111.5L327 E328 Q329 F333 T334 L335 L608 F610 F612L327-Y331 WeakPolarHBondContact O-CB 3.24Å; L327-Y331 PolarHBondContact O-N 2.9Å; E328-Y331 WeakPolarHBondContact O-CB 3.31Å; E328-Y331 PolarHBondContact O-N 3.46Å; Q329-Y331 VanDerWaalsContact C-N 3.26Å; Q329-Y331 PolarHBondContact O-N 3.17Å; Y331-F333 VanDerWaalsContact C-N 3.32Å; Y331-F333 PolarHBondContact O-N 3.42Å; Y331-T334 WeakPolarHBondContact O-CB 3.46Å; Y331-T334 PolarHBondContact O-N 3.37Å; Y331-T334 VanDerWaalsContact O-N 3.1Å; Y331-L335 HydrophobicContact CD1-CD1 4.16Å; Y331-L335 HydrophobicContact CD1-CG 4.38Å; Y331-L335 HydrophobicContact CE1-CD1 3.39Å; Y331-L335 HydrophobicContact CE1-CG 3.85Å; Y331-L335 HydrophobicContact CE2-CD2 4.25Å; Y331-L335 HydrophobicContact CE2-CG 4.18Å; Y331-L335 PolarHBondContact O-N 3.1Å; Y331-L335 WeakPolarHBondContact OH-CD1 3.46Å; Y331-L335 WeakPolarHBondContact OH-CD2 3.44Å; Y331-L608 WeakPolarHBondContact OH-CB 3.19Å; Y331-L608 PolarHBondContact OH-O 2.92Å; Y331-F610 HydrophobicContact CE1-CB 4.39Å; Y331-F610 HydrophobicContact CE2-CB 4.33Å; Y331-F612 HydrophobicContact CD1-CD2 4.27Å; Y331-F612 AromaticContact CD1-CE2 3.6Å; Y331-F612 HydrophobicContact CD1-CE2 3.6Å; Y331-F612 HydrophobicContact CD2-CE2 4.03Å; Y331-F612 HydrophobicContact CD2-CZ 4.31Å; Y331-F612 HydrophobicContact CE1-CE2 4.34Å; Y331-F612 HydrophobicContact CG-CD2 4.46Å; Y331-F612 AromaticContact CG-CE2 3.43Å; Y331-F612 HydrophobicContact CG-CE2 3.43Å; Y331-F612 VanDerWaalsContact CG-CE2 3.43Å; Y331-F612 AromaticContact CG-CZ 3.98Å; Y331-F612 HydrophobicContact CG-CZ 3.98Å
332R71.3Confident73.7Confident108 Ų10862.1 Ų62.141%0.40833%0.328SS..Hα-helixtrans-60.4-41.1176.5-70.9170.1179.5-154.1-2.3112E328 Q329 T334 L335 G336E328-R332 WeakPolarHBondContact O-CB 3.42Å; E328-R332 VanDerWaalsContact O-CG 3.26Å; E328-R332 WeakPolarHBondContact O-CG 3.35Å; E328-R332 PolarHBondContact O-N 3.04Å; E328-R332 IonicContact OE1-CZ 3.81Å; E328-R332 IonicContact OE1-NE 3.8Å; E328-R332 PolarHBondContact OE1-NE 3.43Å; E328-R332 IonicContact OE1-NH2 2.94Å; E328-R332 PolarHBondContact OE1-NH2 3.4Å; Q329-R332 PolarHBondContact O-N 3.31Å; R332-T334 VanDerWaalsContact C-N 3.33Å; R332-L335 PolarHBondContact O-N 3.32Å; R332-G336 PolarHBondContact O-N 3.04Å
333F77.3Confident75.1Confident95 Ų9556.7 Ų56.742%0.41730%0.296SS..Hα-helixtrans-62.3-41.8174.7-179.2-101.3000111.6Q329 C330 Y331 G336 S337 A403 A407Q329-F333 WeakPolarHBondContact O-CB 3.49Å; Q329-F333 PolarHBondContact O-N 3.12Å; C330-F333 PolarHBondContact O-N 3.31Å; Y331-F333 VanDerWaalsContact C-N 3.32Å; Y331-F333 PolarHBondContact O-N 3.42Å; F333-G336 PolarHBondContact O-N 2.85Å; F333-S337 VanDerWaalsContact O-CB 3.27Å; F333-S337 WeakPolarHBondContact O-CB 3.35Å; F333-S337 PolarHBondContact O-N 3.42Å; F333-S337 PolarHBondContact O-OG 2.84Å; F333-A403 HydrophobicContact CE1-CB 4.12Å; F333-A403 HydrophobicContact CZ-CB 3.87Å; F333-A407 HydrophobicContact CE2-CB 3.66Å; F333-A407 HydrophobicContact CZ-CB 3.96Å
334T80Confident76.2Confident70 Ų7051.3 Ų51.343%0.42927%0.268SS..Hα-helixtrans-65.6-47.2177.2-58.60000110.9C330 Y331 R332 G336 S337 I338C330-T334 VanDerWaalsContact O-CB 3.29Å; C330-T334 WeakPolarHBondContact O-CB 3.36Å; C330-T334 PolarHBondContact O-N 3.04Å; C330-T334 PolarHBondContact O-OG1 3.34Å; Y331-T334 WeakPolarHBondContact O-CB 3.46Å; Y331-T334 PolarHBondContact O-N 3.37Å; Y331-T334 VanDerWaalsContact O-N 3.1Å; R332-T334 VanDerWaalsContact C-N 3.33Å; T334-G336 PolarHBondContact O-N 3.42Å; T334-S337 WeakPolarHBondContact O-CB 3.4Å; T334-S337 PolarHBondContact O-N 2.91Å; T334-I338 HydrophobicContact CG2-CD1 3.87Å; T334-I338 HydrophobicContact CG2-CG1 4.45Å; T334-I338 VanDerWaalsContact O-CG1 3.29Å; T334-I338 WeakPolarHBondContact O-CG1 3.41Å; T334-I338 PolarHBondContact O-N 2.83Å
335L80.3Confident77.3Confident3 Ų350 Ų502%0.01626%0.264CS..Hα-helixtrans-58.9-45.7174.3-72.6-167.4000112.1Y331 R332 S337 I338 A339 Y601 L604 Q605 L608Y331-L335 HydrophobicContact CD1-CD1 4.16Å; Y331-L335 HydrophobicContact CD1-CG 4.38Å; Y331-L335 HydrophobicContact CE1-CD1 3.39Å; Y331-L335 HydrophobicContact CE1-CG 3.85Å; Y331-L335 HydrophobicContact CE2-CD2 4.25Å; Y331-L335 HydrophobicContact CE2-CG 4.18Å; Y331-L335 PolarHBondContact O-N 3.1Å; Y331-L335 WeakPolarHBondContact OH-CD1 3.46Å; Y331-L335 WeakPolarHBondContact OH-CD2 3.44Å; R332-L335 PolarHBondContact O-N 3.32Å; L335-S337 VanDerWaalsContact C-N 3.28Å; L335-S337 PolarHBondContact O-N 3.32Å; L335-I338 PolarHBondContact O-N 2.8Å; L335-A339 VanDerWaalsContact O-CB 3.22Å; L335-A339 WeakPolarHBondContact O-CB 3.3Å; L335-A339 PolarHBondContact O-N 3.48Å; L335-Y601 HydrophobicContact CB-CD2 4.27Å; L335-Y601 HydrophobicContact CB-CE2 3.91Å; L335-L604 HydrophobicContact CD2-CB 3.96Å; L335-Q605 HydrophobicContact CD1-CG 3.65Å; L335-L608 HydrophobicContact CD2-CD1 3.98Å
336G79Confident78.9Confident29 Ų2950.5 Ų50.530%0.29927%0.27SS..Hα-helixtrans-61.4-37.8176.500000112.5R332 F333 T334 G340R332-G336 PolarHBondContact O-N 3.04Å; F333-G336 PolarHBondContact O-N 2.85Å; T334-G336 PolarHBondContact O-N 3.42Å; G336-G340 PolarHBondContact O-N 3.1Å
337S80.6Confident79.9Confident20 Ų2046.3 Ų46.314%0.1425%0.249CC..Hα-helixtrans-68.4-45.7177-63.30000112.1F333 T334 L335 G340 A341 A403F333-S337 VanDerWaalsContact O-CB 3.27Å; F333-S337 WeakPolarHBondContact O-CB 3.35Å; F333-S337 PolarHBondContact O-N 3.42Å; F333-S337 PolarHBondContact O-OG 2.84Å; T334-S337 WeakPolarHBondContact O-CB 3.4Å; T334-S337 PolarHBondContact O-N 2.91Å; L335-S337 VanDerWaalsContact C-N 3.28Å; L335-S337 PolarHBondContact O-N 3.32Å; S337-G340 PolarHBondContact O-N 3.25Å; S337-A341 WeakPolarHBondContact O-CB 3.44Å; S337-A341 PolarHBondContact O-N 3.26Å; S337-A403 WeakPolarHBondContact OG-CB 3.46Å
338I84.2Confident80.7Confident65 Ų6542.8 Ų42.833%0.33323%0.23SC..Hα-helixtrans-63.7-46.7176.2-65.7168000109.8T334 L335 G340 A341 F342 L604T334-I338 HydrophobicContact CG2-CD1 3.87Å; T334-I338 HydrophobicContact CG2-CG1 4.45Å; T334-I338 VanDerWaalsContact O-CG1 3.29Å; T334-I338 WeakPolarHBondContact O-CG1 3.41Å; T334-I338 PolarHBondContact O-N 2.83Å; L335-I338 PolarHBondContact O-N 2.8Å; I338-G340 VanDerWaalsContact C-N 3.3Å; I338-G340 PolarHBondContact O-N 3.06Å; I338-A341 WeakPolarHBondContact O-CB 3.32Å; I338-A341 PolarHBondContact O-N 2.97Å; I338-A341 VanDerWaalsContact O-N 3.08Å; I338-F342 HydrophobicContact CG2-CD2 3.74Å; I338-F342 HydrophobicContact CG2-CE2 3.6Å; I338-F342 VanDerWaalsContact O-CD2 3.31Å; I338-F342 WeakPolarHBondContact O-CD2 3.32Å; I338-F342 PolarHBondContact O-N 2.9Å; I338-L604 HydrophobicContact CB-CD1 4.01Å; I338-L604 HydrophobicContact CG2-CD1 3.66Å; I338-L604 HydrophobicContact CG2-CD2 4.21Å
339A83.3Confident81.9Confident0 Ų042.5 Ų42.50%023%0.23CC..Hα-helixtrans-58-43.7175.900000112L335 A341 F342 G343 T597 A600 Y601 L604L335-A339 VanDerWaalsContact O-CB 3.22Å; L335-A339 WeakPolarHBondContact O-CB 3.3Å; L335-A339 PolarHBondContact O-N 3.48Å; A339-A341 VanDerWaalsContact C-N 3.32Å; A339-A341 PolarHBondContact O-N 3.28Å; A339-F342 PolarHBondContact O-N 3.38Å; A339-G343 PolarHBondContact O-N 3.25Å; A339-T597 HydrophobicContact CB-CG2 4.29Å; A339-A600 HydrophobicContact CB-CB 4.13Å; A339-Y601 HydrophobicContact CB-CD2 4.09Å; A339-Y601 HydrophobicContact CB-CG 4.41Å; A339-L604 HydrophobicContact CB-CD1 4.03Å
340G83.1Confident83Confident4 Ų439.1 Ų39.14%0.04122%0.216CC..Hα-helixtrans-63.9-36.2175.300000112.8G336 S337 I338 G343 A344G336-G340 PolarHBondContact O-N 3.1Å; S337-G340 PolarHBondContact O-N 3.25Å; I338-G340 VanDerWaalsContact C-N 3.3Å; I338-G340 PolarHBondContact O-N 3.06Å; G340-G343 PolarHBondContact O-N 3.39Å; G340-A344 WeakPolarHBondContact O-CB 3.29Å; G340-A344 PolarHBondContact O-N 3.33Å
341A86.4Confident83.7Confident17 Ų1736.1 Ų36.114%0.1420%0.195CC..Hα-helixtrans-67.7-41.2174.600000112S337 I338 A339 A344 T345 I399S337-A341 WeakPolarHBondContact O-CB 3.44Å; S337-A341 PolarHBondContact O-N 3.26Å; I338-A341 WeakPolarHBondContact O-CB 3.32Å; I338-A341 PolarHBondContact O-N 2.97Å; I338-A341 VanDerWaalsContact O-N 3.08Å; A339-A341 VanDerWaalsContact C-N 3.32Å; A339-A341 PolarHBondContact O-N 3.28Å; A341-A344 PolarHBondContact O-N 2.89Å; A341-T345 WeakPolarHBondContact O-CB 3.41Å; A341-T345 PolarHBondContact O-N 2.8Å; A341-T345 PolarHBondContact O-OG1 2.87Å; A341-I399 HydrophobicContact CB-CG1 4.36Å; A341-I399 HydrophobicContact CB-CG2 3.99Å
342F87Confident84.2Confident121 Ų12133.8 Ų33.853%0.53119%0.186SC..Hα-helixtrans-60.3-48.6171.3-87.5-74.3000111.5I338 A339 A344 T345 A346 A600I338-F342 HydrophobicContact CG2-CD2 3.74Å; I338-F342 HydrophobicContact CG2-CE2 3.6Å; I338-F342 VanDerWaalsContact O-CD2 3.31Å; I338-F342 WeakPolarHBondContact O-CD2 3.32Å; I338-F342 PolarHBondContact O-N 2.9Å; A339-F342 PolarHBondContact O-N 3.38Å; F342-A344 VanDerWaalsContact C-N 3.33Å; F342-A344 PolarHBondContact O-N 3.15Å; F342-T345 PolarHBondContact O-N 3.04Å; F342-A346 WeakPolarHBondContact O-CB 3.18Å; F342-A346 PolarHBondContact O-N 2.46Å; F342-A600 HydrophobicContact CB-CB 3.91Å; F342-A600 HydrophobicContact CG-CB 4.42Å
343G85.5Confident85Confident0 Ų029 Ų290%017%0.168CC..Hα-helixtrans-57.8-45.1176.500000112.3A339 G340 V347A339-G343 PolarHBondContact O-N 3.25Å; G340-G343 PolarHBondContact O-N 3.39Å; G343-V347 WeakPolarHBondContact O-CG2 3.3Å; G343-V347 PolarHBondContact O-N 2.81Å
344A85.4Confident85.5Confident3 Ų324.8 Ų24.83%0.02515%0.15CC..Hα-helixtrans-64.5-40.4176.800000112.5G340 A341 F342 Y348 Q398 V402G340-A344 WeakPolarHBondContact O-CB 3.29Å; G340-A344 PolarHBondContact O-N 3.33Å; A341-A344 PolarHBondContact O-N 2.89Å; F342-A344 VanDerWaalsContact C-N 3.33Å; F342-A344 PolarHBondContact O-N 3.15Å; A344-Y348 VanDerWaalsContact O-CB 3.31Å; A344-Y348 WeakPolarHBondContact O-CB 3.29Å; A344-Y348 PolarHBondContact O-N 3.44Å; A344-Y348 VanDerWaalsContact O-N 3.1Å; A344-Q398 HydrophobicContact CB-CG 4.16Å; A344-V402 HydrophobicContact CB-CG2 4.2Å
345T88.9Confident85.7Confident39 Ų3921.7 Ų21.724%0.23913%0.131CC..Hα-helixtrans-66.7-47179.2-57.10000111.1A341 F342 V347 Y348 Y392 L395A341-T345 WeakPolarHBondContact O-CB 3.41Å; A341-T345 PolarHBondContact O-N 2.8Å; A341-T345 PolarHBondContact O-OG1 2.87Å; F342-T345 PolarHBondContact O-N 3.04Å; T345-V347 VanDerWaalsContact C-N 3.28Å; T345-V347 PolarHBondContact O-N 3.34Å; T345-Y348 WeakPolarHBondContact O-CB 3.05Å; T345-Y348 PolarHBondContact O-N 2.8Å; T345-Y392 HydrophobicContact CG2-CD1 4.42Å; T345-Y392 HydrophobicContact CG2-CE1 3.96Å; T345-Y392 WeakPolarHBondContact O-CE1 3.28Å; T345-L395 HydrophobicContact CG2-CD1 4.48Å; T345-L395 HydrophobicContact CG2-CD2 3.97Å
346A87.8Confident85.9Confident53 Ų5321.5 Ų21.544%0.43813%0.13SC..Hα-helixtrans-60.1-36.9-178.100000113.1F342 V596F342-A346 WeakPolarHBondContact O-CB 3.18Å; F342-A346 PolarHBondContact O-N 2.46Å; A346-V596 HydrophobicContact CB-CB 4.37Å; A346-V596 HydrophobicContact CB-CG1 3.79Å; A346-V596 HydrophobicContact CB-CG2 4.19Å
347V88.3Confident86.2Confident4 Ų421 Ų212%0.02412%0.12CC..THydrogen-bonded Turntrans-93.5-1178.6-53.60000113.6G343 T345 P349 I350 D351 R589 P592 Q593G343-V347 WeakPolarHBondContact O-CG2 3.3Å; G343-V347 PolarHBondContact O-N 2.81Å; T345-V347 VanDerWaalsContact C-N 3.28Å; T345-V347 PolarHBondContact O-N 3.34Å; V347-P349 VanDerWaalsContact C-CD 3.49Å; V347-I350 WeakPolarHBondContact O-CB 3.48Å; V347-I350 PolarHBondContact O-N 3.22Å; V347-D351 PolarHBondContact O-N 3.46Å; V347-D351 VanDerWaalsContact O-N 3.12Å; V347-R589 HydrophobicContact CB-CG 4.02Å; V347-R589 HydrophobicContact CG2-CG 3.75Å; V347-P592 HydrophobicContact CG1-CB 4.05Å; V347-Q593 HydrophobicContact CB-CB 4.45Å; V347-Q593 HydrophobicContact CG1-CB 3.86Å; V347-Q593 HydrophobicContact CG2-CB 3.9Å; V347-Q593 HydrophobicContact CG2-CG 3.94Å
348Y88.3Confident86.3Confident2 Ų220 Ų201%0.00811%0.113CC..Hα-helixtrans-59.8-39.6-172.4-160.8-90.6000113.7A344 T345 I350 D351 L352 L391 Y392 R393 G394 L395 Q398 Q458A344-Y348 VanDerWaalsContact O-CB 3.31Å; A344-Y348 WeakPolarHBondContact O-CB 3.29Å; A344-Y348 PolarHBondContact O-N 3.44Å; A344-Y348 VanDerWaalsContact O-N 3.1Å; T345-Y348 WeakPolarHBondContact O-CB 3.05Å; T345-Y348 PolarHBondContact O-N 2.8Å; Y348-I350 PolarHBondContact O-N 3.46Å; Y348-D351 WeakPolarHBondContact O-CA 3.23Å; Y348-D351 WeakPolarHBondContact O-CB 3.27Å; Y348-D351 PolarHBondContact O-N 2.91Å; Y348-L352 PolarHBondContact O-N 3Å; Y348-L391 WeakPolarHBondContact CD1-O 3.43Å; Y348-L391 WeakPolarHBondContact CE1-O 3.38Å; Y348-Y392 HydrophobicContact CD1-CD1 4.03Å; Y348-Y392 HydrophobicContact CG-CD1 4.33Å; Y348-R393 WeakPolarHBondContact CE1-O 3.27Å; Y348-R393 PolarHBondContact OH-O 3.22Å; Y348-G394 VanDerWaalsContact OH-CA 3.22Å; Y348-G394 WeakPolarHBondContact OH-CA 3.32Å; Y348-G394 PolarHBondContact OH-O 2.89Å; Y348-L395 HydrophobicContact CD1-CB 4.43Å; Y348-L395 HydrophobicContact CD1-CD1 4.42Å; Y348-L395 HydrophobicContact CD2-CB 4.37Å; Y348-L395 HydrophobicContact CD2-CD1 3.43Å; Y348-L395 VanDerWaalsContact CD2-CD1 3.43Å; Y348-L395 HydrophobicContact CE1-CB 4.22Å; Y348-L395 HydrophobicContact CE2-CB 4.15Å; Y348-L395 HydrophobicContact CE2-CD1 3.93Å; Y348-L395 HydrophobicContact CG-CB 4.49Å; Y348-L395 HydrophobicContact CG-CD1 3.72Å; Y348-L395 PolarHBondContact OH-N 3.38Å; Y348-L395 VanDerWaalsContact OH-N 3.13Å; Y348-Q398 HydrophobicContact CD2-CG 4.45Å; Y348-Q398 HydrophobicContact CE2-CB 4Å; Y348-Q398 HydrophobicContact CE2-CG 4.28Å; Y348-Q458 VanDerWaalsContact OH-CG 3.23Å; Y348-Q458 WeakPolarHBondContact OH-CG 3.47Å; Y348-Q458 PolarHBondContact OH-NE2 2.87Å
349P90Very high86.2Confident16 Ų1617 Ų1710%0.10410%0.098CC..Hα-helixtrans-56.3-38.3174.1-28.437.5000113.3V347 D351 L352 V353 F379 L391 Y392V347-P349 VanDerWaalsContact C-CD 3.49Å; P349-D351 VanDerWaalsContact C-N 3.35Å; P349-L352 PolarHBondContact O-N 2.66Å; P349-V353 WeakPolarHBondContact O-CG2 3.36Å; P349-V353 PolarHBondContact O-N 3.11Å; P349-V353 VanDerWaalsContact O-N 3.08Å; P349-F379 HydrophobicContact CB-CE2 4.35Å; P349-L391 HydrophobicContact CB-CB 4.19Å; P349-L391 HydrophobicContact CB-CD1 4.25Å; P349-L391 HydrophobicContact CB-CD2 4.27Å; P349-L391 HydrophobicContact CB-CG 4.49Å; P349-L391 HydrophobicContact CG-CB 4.3Å; P349-Y392 HydrophobicContact CG-CE1 4.11Å; P349-Y392 HydrophobicContact CG-CE2 4.14Å
350I88.9Confident85.9Confident57 Ų5717.9 Ų17.929%0.29210%0.102SC..Hα-helixtrans-68.8-38.7177.2-52.8174.6000109.9V347 Y348 V353 K354 A585 F588 R589V347-I350 WeakPolarHBondContact O-CB 3.48Å; V347-I350 PolarHBondContact O-N 3.22Å; Y348-I350 PolarHBondContact O-N 3.46Å; I350-V353 PolarHBondContact O-N 2.78Å; I350-K354 WeakPolarHBondContact O-CB 3.11Å; I350-K354 PolarHBondContact O-N 2.84Å; I350-A585 HydrophobicContact CG2-CB 4.16Å; I350-A585 WeakPolarHBondContact CG2-O 3.46Å; I350-F588 HydrophobicContact CG2-CB 4.46Å; I350-R589 HydrophobicContact CB-CB 4.48Å; I350-R589 HydrophobicContact CG2-CB 4Å
351D86.6Confident85.4Confident4 Ų418.1 Ų18.12%0.02110%0.102CC..Hα-helixtrans-66.1-39.2176.9-164.655.3000112.7V347 Y348 P349 K354 T355 K454 Q458 R589V347-D351 PolarHBondContact O-N 3.46Å; V347-D351 VanDerWaalsContact O-N 3.12Å; Y348-D351 WeakPolarHBondContact O-CA 3.23Å; Y348-D351 WeakPolarHBondContact O-CB 3.27Å; Y348-D351 PolarHBondContact O-N 2.91Å; P349-D351 VanDerWaalsContact C-N 3.35Å; D351-K354 WeakPolarHBondContact O-CB 3.42Å; D351-K354 PolarHBondContact O-N 3.05Å; D351-K354 IonicContact OD1-NZ 3.08Å; D351-T355 WeakPolarHBondContact O-CG2 3.36Å; D351-T355 PolarHBondContact O-N 2.9Å; D351-T355 PolarHBondContact O-OG1 2.69Å; D351-K454 WeakPolarHBondContact OD2-CE 3.24Å; D351-K454 IonicContact OD2-NZ 2.77Å; D351-K454 PolarHBondContact OD2-NZ 2.85Å; D351-Q458 PolarHBondContact OD2-NE2 2.95Å; D351-Q458 VanDerWaalsContact OD2-NE2 3.1Å; D351-R589 HydrophobicContact CB-CG 4.36Å; D351-R589 WeakPolarHBondContact OD1-CD 3.42Å; D351-R589 IonicContact OD1-NE 3.98Å
352L86.9Confident84.2Confident0 Ų019.9 Ų19.90%012%0.116CC..Hα-helixtrans-65.2-47.8174.7-175.7142.8000111.2Y348 P349 K354 T355 R356 V382 G390 L391 R393Y348-L352 PolarHBondContact O-N 3Å; P349-L352 PolarHBondContact O-N 2.66Å; L352-K354 VanDerWaalsContact C-N 3.29Å; L352-K354 PolarHBondContact O-N 2.82Å; L352-T355 WeakPolarHBondContact CA-OG1 3.31Å; L352-T355 PolarHBondContact O-N 3.46Å; L352-T355 PolarHBondContact O-OG1 2.83Å; L352-R356 HydrophobicContact CD2-CG 4.42Å; L352-R356 WeakPolarHBondContact O-CG 3.4Å; L352-R356 PolarHBondContact O-N 2.93Å; L352-V382 HydrophobicContact CD2-CG1 3.99Å; L352-V382 HydrophobicContact CD2-CG2 3.84Å; L352-G390 WeakPolarHBondContact CD1-O 3.37Å; L352-L391 WeakPolarHBondContact CD1-O 3.19Å; L352-L391 HydrophobicContact CD2-CD2 4.44Å; L352-R393 HydrophobicContact CD1-CB 4.37Å
353V87.4Confident82.5Confident6 Ų617 Ų174%0.03611%0.108CC..Hα-helixtrans-58.6-44.3175.9168.90000111.1P349 I350 R356 M357 S375 C378 F379P349-V353 WeakPolarHBondContact O-CG2 3.36Å; P349-V353 PolarHBondContact O-N 3.11Å; P349-V353 VanDerWaalsContact O-N 3.08Å; I350-V353 PolarHBondContact O-N 2.78Å; V353-R356 PolarHBondContact O-N 3.45Å; V353-M357 HydrophobicContact CG1-CG 4.31Å; V353-M357 VanDerWaalsContact O-CB 3.31Å; V353-M357 WeakPolarHBondContact O-CB 3.48Å; V353-M357 VanDerWaalsContact O-CG 3.24Å; V353-M357 WeakPolarHBondContact O-CG 3.37Å; V353-M357 PolarHBondContact O-N 3.26Å; V353-S375 VanDerWaalsContact CG1-O 3.25Å; V353-S375 WeakPolarHBondContact CG1-O 3.44Å; V353-C378 HydrophobicContact CG1-CB 4.09Å; V353-F379 HydrophobicContact CG2-CB 3.81Å; V353-F379 HydrophobicContact CG2-CD2 4.05Å; V353-F379 HydrophobicContact CG2-CG 4.46Å
354K87.6Confident80.7Confident8 Ų819.2 Ų19.24%0.03513%0.131CC..Hα-helixtrans-57.2-51.8176173.6-150.3166.9-141.90111.3I350 D351 L352 R356 M357 Q358 D543 A585 R586I350-K354 WeakPolarHBondContact O-CB 3.11Å; I350-K354 PolarHBondContact O-N 2.84Å; D351-K354 WeakPolarHBondContact O-CB 3.42Å; D351-K354 PolarHBondContact O-N 3.05Å; D351-K354 IonicContact OD1-NZ 3.08Å; L352-K354 VanDerWaalsContact C-N 3.29Å; L352-K354 PolarHBondContact O-N 2.82Å; K354-R356 VanDerWaalsContact C-N 3.35Å; K354-R356 PolarHBondContact O-N 2.73Å; K354-M357 PolarHBondContact O-N 3.4Å; K354-Q358 VanDerWaalsContact CE-OE1 3.32Å; K354-Q358 HydrophobicContact CG-CG 4.48Å; K354-Q358 WeakPolarHBondContact O-CB 3.3Å; K354-Q358 WeakPolarHBondContact O-CG 3.46Å; K354-Q358 PolarHBondContact O-N 3.45Å; K354-D543 WeakPolarHBondContact CE-OD2 3.46Å; K354-D543 IonicContact NZ-OD1 3.15Å; K354-D543 IonicContact NZ-OD2 2.61Å; K354-D543 PolarHBondContact NZ-OD2 2.89Å; K354-A585 HydrophobicContact CB-CB 3.81Å; K354-A585 HydrophobicContact CG-CB 4.42Å; K354-R586 HydrophobicContact CD-CB 4.18Å; K354-R586 HydrophobicContact CD-CG 4.43Å; K354-R586 HydrophobicContact CG-CB 4.4Å
355T84.7Confident78.6Confident4 Ų421.8 Ų21.83%0.02515%0.149CC..Hα-helixtrans-65.2-37.3-175.848.20000112.5D351 L352 Q358 N359 Q458D351-T355 WeakPolarHBondContact O-CG2 3.36Å; D351-T355 PolarHBondContact O-N 2.9Å; D351-T355 PolarHBondContact O-OG1 2.69Å; L352-T355 WeakPolarHBondContact CA-OG1 3.31Å; L352-T355 PolarHBondContact O-N 3.46Å; L352-T355 PolarHBondContact O-OG1 2.83Å; T355-Q358 PolarHBondContact O-N 2.92Å; T355-N359 WeakPolarHBondContact O-CB 3.29Å; T355-N359 PolarHBondContact O-N 3.03Å; T355-Q458 PolarHBondContact OG1-OE1 3.37Å
356R85.2Confident76.3Confident0 Ų027 Ų270%018%0.181CC..Hα-helixtrans-65.9-46.8172.2-66.6-165.3-178.1-171.44.1113.1L352 V353 K354 Q358 N359 Q360 Y372 V382 E386 Q458 E462L352-R356 HydrophobicContact CD2-CG 4.42Å; L352-R356 WeakPolarHBondContact O-CG 3.4Å; L352-R356 PolarHBondContact O-N 2.93Å; V353-R356 PolarHBondContact O-N 3.45Å; K354-R356 VanDerWaalsContact C-N 3.35Å; K354-R356 PolarHBondContact O-N 2.73Å; R356-Q358 PolarHBondContact O-N 3.38Å; R356-N359 PolarHBondContact O-N 3.19Å; R356-N359 VanDerWaalsContact O-N 3.15Å; R356-Q360 PolarHBondContact O-N 2.64Å; R356-Y372 HydrophobicContact CB-CE2 4.05Å; R356-Y372 PolarHBondContact NH1-OH 3.23Å; R356-V382 VanDerWaalsContact NH1-CG2 3.26Å; R356-E386 IonicContact CZ-OE1 2.62Å; R356-E386 IonicContact CZ-OE2 3.69Å; R356-E386 IonicContact NH1-OE1 3.39Å; R356-E386 PolarHBondContact NH1-OE1 2.8Å; R356-E386 IonicContact NH1-OE2 2.81Å; R356-E386 IonicContact NH2-OE1 2.68Å; R356-E386 PolarHBondContact NH2-OE1 3.06Å; R356-E386 IonicContact NH2-OE2 3.69Å; R356-E386 PolarHBondContact NH2-OE2 3.34Å; R356-Q458 PolarHBondContact NE-O 3.44Å; R356-Q458 PolarHBondContact NH2-O 3.46Å; R356-E462 VanDerWaalsContact CB-OE1 3.29Å; R356-E462 WeakPolarHBondContact CB-OE1 3.29Å; R356-E462 WeakPolarHBondContact CD-OE1 3.33Å; R356-E462 HydrophobicContact CG-CG 4.32Å; R356-E462 WeakPolarHBondContact CG-OE1 3.3Å
357M84.6Confident74.1Confident17 Ų1730.6 Ų30.68%0.08419%0.192CC..Hα-helixtrans-59.3-35.7175.4-76.9-59.8-4300112.5V353 K354 C378V353-M357 HydrophobicContact CG1-CG 4.31Å; V353-M357 VanDerWaalsContact O-CB 3.31Å; V353-M357 WeakPolarHBondContact O-CB 3.48Å; V353-M357 VanDerWaalsContact O-CG 3.24Å; V353-M357 WeakPolarHBondContact O-CG 3.37Å; V353-M357 PolarHBondContact O-N 3.26Å; K354-M357 PolarHBondContact O-N 3.4Å; M357-C378 HydrophobicContact CG-CB 4.34Å; M357-C378 HydrophobicContact SD-CB 4.11Å
358Q82.4Confident72.2Confident0 Ų034.5 Ų34.50%023%0.233CC..Hα-helixtrans-75.4-33.7177.1-72.1176.3-30.200112.6K354 T355 R356 D543 V544 T547 R548 K581K354-Q358 VanDerWaalsContact CE-OE1 3.32Å; K354-Q358 HydrophobicContact CG-CG 4.48Å; K354-Q358 WeakPolarHBondContact O-CB 3.3Å; K354-Q358 WeakPolarHBondContact O-CG 3.46Å; K354-Q358 PolarHBondContact O-N 3.45Å; T355-Q358 PolarHBondContact O-N 2.92Å; R356-Q358 PolarHBondContact O-N 3.38Å; Q358-D543 PolarHBondContact NE2-OD2 3.5Å; Q358-D543 PolarHBondContact OE1-OD2 2.97Å; Q358-V544 HydrophobicContact CG-CG2 4.11Å; Q358-T547 HydrophobicContact CB-CG2 4.2Å; Q358-T547 WeakPolarHBondContact CB-OG1 3.45Å; Q358-R548 PolarHBondContact O-NE 3.06Å; Q358-K581 VanDerWaalsContact CG-O 3.31Å; Q358-K581 WeakPolarHBondContact CG-O 3.15Å
359N83Confident70.5Confident3 Ų341.7 Ų41.72%0.01627%0.267CS..Hα-helixtrans-77.2-21.8176.1-173.252.2000113.3T355 R356 R361 V459 E462 V551T355-N359 WeakPolarHBondContact O-CB 3.29Å; T355-N359 PolarHBondContact O-N 3.03Å; R356-N359 PolarHBondContact O-N 3.19Å; R356-N359 VanDerWaalsContact O-N 3.15Å; N359-R361 VanDerWaalsContact O-CG 3.23Å; N359-R361 WeakPolarHBondContact O-CG 3.44Å; N359-R361 PolarHBondContact O-N 3.39Å; N359-R361 VanDerWaalsContact O-N 3.15Å; N359-V459 HydrophobicContact CB-CG2 4.37Å; N359-V459 WeakPolarHBondContact ND2-CG1 3.21Å; N359-E462 PolarHBondContact ND2-OE2 3.46Å; N359-V551 WeakPolarHBondContact OD1-CB 3.37Å; N359-V551 VanDerWaalsContact OD1-CG1 3.31Å; N359-V551 WeakPolarHBondContact OD1-CG1 3.38Å
360Q77.1Confident69Low18 Ų1845.3 Ų45.38%0.08429%0.285CS..  trans-61115.3179.5-176.7174.8-50.300112.1R356 Y372 R548R356-Q360 PolarHBondContact O-N 2.64Å; Q360-Y372 PolarHBondContact NE2-O 2.91Å; Q360-Y372 PolarHBondContact OE1-O 3.47Å; Q360-R548 PolarHBondContact O-NH2 3.01Å
361R72.1Confident68Low9 Ų945.8 Ų45.83%0.03429%0.286CS..  trans-99.8141.8179.3-46.6-174.7-171.1-174.8-2109.7N359 R548 T558 E574N359-R361 VanDerWaalsContact O-CG 3.23Å; N359-R361 WeakPolarHBondContact O-CG 3.44Å; N359-R361 PolarHBondContact O-N 3.39Å; N359-R361 VanDerWaalsContact O-N 3.15Å; R361-R548 PolarHBondContact NH2-O 3.32Å; R361-T558 PolarHBondContact NH1-O 3.24Å; R361-E574 VanDerWaalsContact CA-OE1 3.32Å; R361-E574 WeakPolarHBondContact CA-OE1 3.16Å
362A61.4Low67.4Low53 Ų5346 Ų4644%0.43829%0.287SS..SBendtrans-74.1-32.5178.500000112E574A362-E574 HydrophobicContact CB-CG 3.85Å; A362-E574 PolarHBondContact N-OE1 2.91Å; A362-E574 VanDerWaalsContact N-OE1 3.14Å
363T50Low67Low60 Ų6054.1 Ų54.137%0.36832%0.322SS..THydrogen-bonded Turntrans-92.4100.9-177.323.70000110.1E573T363-E573 PolarHBondContact OG1-OE2 3.27Å
364G47.9Very low66.7Low47 Ų4757.9 Ų57.949%0.48534%0.342SS..THydrogen-bonded Turntrans144.2-6.6170.400000116.9T366G364-T366 PolarHBondContact O-N 2.97Å
365S41.2Very low66.5Low57 Ų5759.6 Ų59.640%0.39936%0.355SS..  trans-76.1113.8162.9-57.70000107.5I367 E369S365-I367 VanDerWaalsContact CB-O 3.3Å; S365-I367 WeakPolarHBondContact CB-O 3.38Å; S365-I367 PolarHBondContact O-N 2.91Å; S365-E369 PolarHBondContact OG-O 3.44Å
366T41.2Very low66.5Low148 Ų14867.9 Ų67.991%0.90839%0.386SS*.SBendtrans-63.53.1179.6300000114.8G364G364-T366 PolarHBondContact O-N 2.97Å
367I42.6Very low66.6Low129 Ų12969.4 Ų69.466%0.66239%0.394SS*.SBendtrans-141.6135.4167.4-60.5174.8000103.9S365 E369S365-I367 VanDerWaalsContact CB-O 3.3Å; S365-I367 WeakPolarHBondContact CB-O 3.38Å; S365-I367 PolarHBondContact O-N 2.91Å; I367-E369 HydrophobicContact CG2-CG 4.4Å; I367-E369 PolarHBondContact O-N 3.18Å
368G48.5Very low66.6Low87 Ų8768.6 Ų68.690%0.89739%0.39SS*.SBendtrans-59.620.1-173.100000117L370G368-L370 PolarHBondContact O-N 3.2Å
369E52.2Low66.9Low153 Ų15371.4 Ų71.472%0.71540%0.402SS*.  trans-79.6112.5168.2-65.3-163.7149.700110.4S365 I367 M371S365-E369 PolarHBondContact OG-O 3.44Å; I367-E369 HydrophobicContact CG2-CG 4.4Å; I367-E369 PolarHBondContact O-N 3.18Å; E369-M371 PolarHBondContact O-N 2.96Å
370L58.5Low67.1Low92 Ų9279 Ų7948%0.48243%0.431SS..  trans-52.7124.7162.7-71.4162.8000108.9G368 Y372G368-L370 PolarHBondContact O-N 3.2Å; L370-Y372 PolarHBondContact O-N 3.29Å; L370-Y372 VanDerWaalsContact O-N 3.14Å
371M66.3Low67.6Low66 Ų6680.7 Ų80.733%0.32544%0.438SS..SBendtrans-51.6-40.7179.8-173.3174.4-173.400111.6E369 K381 E462E369-M371 PolarHBondContact O-N 2.96Å; M371-K381 PolarHBondContact O-NZ 3.44Å; M371-E462 HydrophobicContact CE-CB 4Å; M371-E462 HydrophobicContact CE-CG 4.37Å
372Y75.5Confident68.3Low10 Ų1080.3 Ų80.34%0.03944%0.437CS..  trans-128.8130.7170.9-47.4-64.3000110.6R356 Q360 L370 C378 K381R356-Y372 HydrophobicContact CB-CE2 4.05Å; R356-Y372 PolarHBondContact NH1-OH 3.23Å; Q360-Y372 PolarHBondContact NE2-O 2.91Å; Q360-Y372 PolarHBondContact OE1-O 3.47Å; L370-Y372 PolarHBondContact O-N 3.29Å; L370-Y372 VanDerWaalsContact O-N 3.14Å; Y372-C378 VanDerWaalsContact CD1-CA 3.46Å; Y372-C378 HydrophobicContact CD1-CB 3.81Å; Y372-C378 HydrophobicContact CD2-CB 4.19Å; Y372-C378 HydrophobicContact CE1-CB 4.38Å; Y372-C378 HydrophobicContact CG-CB 3.68Å; Y372-K381 HydrophobicContact CD1-CB 4.33Å; Y372-K381 HydrophobicContact CD1-CD 3.71Å; Y372-K381 HydrophobicContact CE1-CB 3.99Å; Y372-K381 HydrophobicContact CE1-CD 3.98Å
373K77.6Confident69.6Low169 Ų16980.9 Ų80.974%0.73543%0.432SS*.SBendtrans-73.2-40.7177.9-66-178179.8-178.20111.8D377K373-D377 HydrophobicContact CB-CB 4.21Å; K373-D377 PolarHBondContact N-OD2 3.23Å
374N81.4Confident71.3Confident86 Ų8687 Ų8746%0.4645%0.448SS..SBendtrans-156.9176.1179.658.928.7000110.1W376 D377 C378N374-W376 PolarHBondContact O-N 3.04Å; N374-W376 PolarHBondContact OD1-N 3.3Å; N374-D377 PolarHBondContact O-N 2.86Å; N374-D377 WeakPolarHBondContact OD1-CB 3.16Å; N374-D377 PolarHBondContact OD1-N 2.73Å; N374-C378 PolarHBondContact O-N 3Å
375S83.8Confident73.1Confident43 Ų4392.3 Ų92.330%0.30146%0.458SS..Hα-helixtrans-57.4-34.5179.6-55.10000113.1V353 F379V353-S375 VanDerWaalsContact CG1-O 3.25Å; V353-S375 WeakPolarHBondContact CG1-O 3.44Å; S375-F379 WeakPolarHBondContact O-CB 3.36Å; S375-F379 PolarHBondContact O-N 3.46Å
376W85.1Confident75Confident178 Ų17892 Ų9267%0.67445%0.45SS*.Hα-helixtrans-71.6-41179.3-174.8-111.2000112.4N374 F379 R380N374-W376 PolarHBondContact O-N 3.04Å; N374-W376 PolarHBondContact OD1-N 3.3Å; W376-F379 HydrophobicContact CE3-CD1 4.22Å; W376-F379 HydrophobicContact CH2-CD1 4.44Å; W376-F379 HydrophobicContact CH2-CE1 4.44Å; W376-F379 AromaticContact CZ3-CD1 4Å; W376-F379 HydrophobicContact CZ3-CD1 4Å; W376-F379 HydrophobicContact CZ3-CE1 4.21Å; W376-F379 WeakPolarHBondContact O-CB 3.17Å; W376-F379 PolarHBondContact O-N 3.47Å; W376-R380 WeakPolarHBondContact O-CB 3.39Å; W376-R380 PolarHBondContact O-N 3.34Å
377D85.7Confident77Confident32 Ų3286.5 Ų86.517%0.17142%0.422CS..Hα-helixtrans-63.5-42.3173-177.847.6000110.9K373 N374 R380 K381K373-D377 HydrophobicContact CB-CB 4.21Å; K373-D377 PolarHBondContact N-OD2 3.23Å; N374-D377 PolarHBondContact O-N 2.86Å; N374-D377 WeakPolarHBondContact OD1-CB 3.16Å; N374-D377 PolarHBondContact OD1-N 2.73Å; D377-R380 PolarHBondContact O-N 3.22Å; D377-K381 VanDerWaalsContact O-CB 3.31Å; D377-K381 WeakPolarHBondContact O-CB 3.4Å; D377-K381 WeakPolarHBondContact O-CG 3.43Å; D377-K381 PolarHBondContact O-N 3.48Å; D377-K381 VanDerWaalsContact OD1-CE 3.29Å; D377-K381 WeakPolarHBondContact OD1-CE 3.4Å; D377-K381 IonicContact OD1-NZ 2.84Å; D377-K381 WeakPolarHBondContact OD2-CE 3.32Å; D377-K381 IonicContact OD2-NZ 2.73Å; D377-K381 PolarHBondContact OD2-NZ 2.86Å
378C85.8Confident79.1Confident0 Ų086 Ų860%042%0.416CS..Hα-helixtrans-56.8-51.3172.2-177.60000111.4V353 M357 Y372 N374 R380 K381 V382V353-C378 HydrophobicContact CG1-CB 4.09Å; M357-C378 HydrophobicContact CG-CB 4.34Å; M357-C378 HydrophobicContact SD-CB 4.11Å; Y372-C378 VanDerWaalsContact CD1-CA 3.46Å; Y372-C378 HydrophobicContact CD1-CB 3.81Å; Y372-C378 HydrophobicContact CD2-CB 4.19Å; Y372-C378 HydrophobicContact CE1-CB 4.38Å; Y372-C378 HydrophobicContact CG-CB 3.68Å; N374-C378 PolarHBondContact O-N 3Å; C378-R380 PolarHBondContact O-N 2.99Å; C378-K381 PolarHBondContact O-N 3.11Å; C378-V382 WeakPolarHBondContact O-CG2 3.47Å; C378-V382 PolarHBondContact O-N 3.33Å
379F87.2Confident80.8Confident59 Ų5990 Ų9026%0.25941%0.409SS..Hα-helixtrans-56.4-50.1178.2178.8-102.1000112.1P349 V353 S375 W376 K381 V382 I383 L391P349-F379 HydrophobicContact CB-CE2 4.35Å; V353-F379 HydrophobicContact CG2-CB 3.81Å; V353-F379 HydrophobicContact CG2-CD2 4.05Å; V353-F379 HydrophobicContact CG2-CG 4.46Å; S375-F379 WeakPolarHBondContact O-CB 3.36Å; S375-F379 PolarHBondContact O-N 3.46Å; W376-F379 HydrophobicContact CE3-CD1 4.22Å; W376-F379 HydrophobicContact CH2-CD1 4.44Å; W376-F379 HydrophobicContact CH2-CE1 4.44Å; W376-F379 AromaticContact CZ3-CD1 4Å; W376-F379 HydrophobicContact CZ3-CD1 4Å; W376-F379 HydrophobicContact CZ3-CE1 4.21Å; W376-F379 WeakPolarHBondContact O-CB 3.17Å; W376-F379 PolarHBondContact O-N 3.47Å; F379-K381 PolarHBondContact O-N 2.89Å; F379-V382 PolarHBondContact O-N 3.11Å; F379-I383 HydrophobicContact CD1-CD1 3.93Å; F379-I383 HydrophobicContact CD2-CD1 4.49Å; F379-I383 HydrophobicContact CE1-CD1 3.37Å; F379-I383 HydrophobicContact CE2-CD1 4.01Å; F379-I383 HydrophobicContact CG-CD1 4.46Å; F379-I383 HydrophobicContact CZ-CD1 3.43Å; F379-I383 VanDerWaalsContact CZ-CD1 3.43Å; F379-I383 PolarHBondContact O-N 3.38Å; F379-I383 VanDerWaalsContact O-N 3.1Å; F379-L391 HydrophobicContact CD2-CD1 4.35Å; F379-L391 HydrophobicContact CD2-CD2 3.8Å; F379-L391 HydrophobicContact CE2-CD1 3.67Å; F379-L391 HydrophobicContact CE2-CD2 3.95Å; F379-L391 HydrophobicContact CE2-CG 4.49Å; F379-L391 HydrophobicContact CZ-CD1 4.26Å
380R88.7Confident82.3Confident162 Ų16283 Ų8361%0.61138%0.378SS*.Hα-helixtrans-61.9-42179.7-175.1177177.9159.20.4112W376 D377 C378 R384W376-R380 WeakPolarHBondContact O-CB 3.39Å; W376-R380 PolarHBondContact O-N 3.34Å; D377-R380 PolarHBondContact O-N 3.22Å; C378-R380 PolarHBondContact O-N 2.99Å; R380-R384 VanDerWaalsContact O-CB 3.31Å; R380-R384 WeakPolarHBondContact O-CB 3.47Å; R380-R384 PolarHBondContact O-N 3.27Å
381K88Confident83.6Confident55 Ų5578.7 Ų78.724%0.23936%0.356CS..Hα-helixtrans-67.2-39.9177.4-77.7170.3169.9167.80111.9M371 Y372 D377 C378 F379 I383 R384 F385M371-K381 PolarHBondContact O-NZ 3.44Å; Y372-K381 HydrophobicContact CD1-CB 4.33Å; Y372-K381 HydrophobicContact CD1-CD 3.71Å; Y372-K381 HydrophobicContact CE1-CB 3.99Å; Y372-K381 HydrophobicContact CE1-CD 3.98Å; D377-K381 VanDerWaalsContact O-CB 3.31Å; D377-K381 WeakPolarHBondContact O-CB 3.4Å; D377-K381 WeakPolarHBondContact O-CG 3.43Å; D377-K381 PolarHBondContact O-N 3.48Å; D377-K381 VanDerWaalsContact OD1-CE 3.29Å; D377-K381 WeakPolarHBondContact OD1-CE 3.4Å; D377-K381 IonicContact OD1-NZ 2.84Å; D377-K381 WeakPolarHBondContact OD2-CE 3.32Å; D377-K381 IonicContact OD2-NZ 2.73Å; D377-K381 PolarHBondContact OD2-NZ 2.86Å; C378-K381 PolarHBondContact O-N 3.11Å; F379-K381 PolarHBondContact O-N 2.89Å; K381-I383 PolarHBondContact O-N 3.39Å; K381-R384 PolarHBondContact O-N 3.15Å; K381-F385 HydrophobicContact CB-CD2 4.12Å; K381-F385 HydrophobicContact CB-CE2 4.33Å; K381-F385 HydrophobicContact CG-CD2 4.45Å; K381-F385 HydrophobicContact CG-CE2 4.17Å; K381-F385 WeakPolarHBondContact O-CB 3.45Å; K381-F385 WeakPolarHBondContact O-CD2 3.43Å; K381-F385 PolarHBondContact O-N 2.83Å
382V85.8Confident84.7Confident1 Ų178.6 Ų78.61%0.00635%0.352CS..Hα-helixtrans-59.3-49.6175.6-179.90000110.1L352 R356 C378 F379 R384 F385 E386 G387 L391L352-V382 HydrophobicContact CD2-CG1 3.99Å; L352-V382 HydrophobicContact CD2-CG2 3.84Å; R356-V382 VanDerWaalsContact NH1-CG2 3.26Å; C378-V382 WeakPolarHBondContact O-CG2 3.47Å; C378-V382 PolarHBondContact O-N 3.33Å; F379-V382 PolarHBondContact O-N 3.11Å; V382-R384 VanDerWaalsContact C-N 3.3Å; V382-R384 PolarHBondContact O-N 3Å; V382-F385 PolarHBondContact O-N 3.49Å; V382-E386 HydrophobicContact CG1-CB 4.36Å; V382-E386 WeakPolarHBondContact O-CA 3.43Å; V382-E386 WeakPolarHBondContact O-CB 3.44Å; V382-E386 PolarHBondContact O-N 3.46Å; V382-G387 PolarHBondContact O-N 3.44Å; V382-L391 HydrophobicContact CB-CD2 4.06Å; V382-L391 HydrophobicContact CG1-CD2 3.75Å; V382-L391 HydrophobicContact CG1-CG 4.14Å
383I87.8Confident85Confident64 Ų6480.8 Ų80.833%0.32836%0.36SS..Hα-helixtrans-60.4-42.5177.8-68.6170.4000111.2F379 K381 G387 L391F379-I383 HydrophobicContact CD1-CD1 3.93Å; F379-I383 HydrophobicContact CD2-CD1 4.49Å; F379-I383 HydrophobicContact CE1-CD1 3.37Å; F379-I383 HydrophobicContact CE2-CD1 4.01Å; F379-I383 HydrophobicContact CG-CD1 4.46Å; F379-I383 HydrophobicContact CZ-CD1 3.43Å; F379-I383 VanDerWaalsContact CZ-CD1 3.43Å; F379-I383 PolarHBondContact O-N 3.38Å; F379-I383 VanDerWaalsContact O-N 3.1Å; K381-I383 PolarHBondContact O-N 3.39Å; I383-G387 WeakPolarHBondContact O-CA 3.37Å; I383-G387 PolarHBondContact O-N 3.22Å; I383-G387 VanDerWaalsContact O-N 3.15Å; I383-L391 HydrophobicContact CD1-CD1 4.06Å; I383-L391 HydrophobicContact CG1-CD1 3.78Å; I383-L391 HydrophobicContact CG1-CG 4.27Å
384R86.1Confident85.1Confident190 Ų19073.2 Ų73.272%0.71733%0.33SS*.Hα-helixtrans-67.3-39.8-177.2-172.3175.3-173.1170.92.5113.2R380 K381 V382R380-R384 VanDerWaalsContact O-CB 3.31Å; R380-R384 WeakPolarHBondContact O-CB 3.47Å; R380-R384 PolarHBondContact O-N 3.27Å; K381-R384 PolarHBondContact O-N 3.15Å; V382-R384 VanDerWaalsContact C-N 3.3Å; V382-R384 PolarHBondContact O-N 3Å
385F86.2Confident85.3Confident157 Ų15770.6 Ų70.669%0.68932%0.316SS*.Hα-helixtrans-103.1-28.7-171-67.8-66.6000114.2K381 V382K381-F385 HydrophobicContact CB-CD2 4.12Å; K381-F385 HydrophobicContact CB-CE2 4.33Å; K381-F385 HydrophobicContact CG-CD2 4.45Å; K381-F385 HydrophobicContact CG-CE2 4.17Å; K381-F385 WeakPolarHBondContact O-CB 3.45Å; K381-F385 WeakPolarHBondContact O-CD2 3.43Å; K381-F385 PolarHBondContact O-N 2.83Å; V382-F385 PolarHBondContact O-N 3.49Å
386E81.1Confident85.3Confident52 Ų5270.5 Ų70.524%0.24332%0.322CS..Hα-helixtrans-111.9-3.8-179.1-64176.8-140.400112.8R356 V382 G461R356-E386 IonicContact CZ-OE1 2.62Å; R356-E386 IonicContact CZ-OE2 3.69Å; R356-E386 IonicContact NH1-OE1 3.39Å; R356-E386 PolarHBondContact NH1-OE1 2.8Å; R356-E386 IonicContact NH1-OE2 2.81Å; R356-E386 IonicContact NH2-OE1 2.68Å; R356-E386 PolarHBondContact NH2-OE1 3.06Å; R356-E386 IonicContact NH2-OE2 3.69Å; R356-E386 PolarHBondContact NH2-OE2 3.34Å; V382-E386 HydrophobicContact CG1-CB 4.36Å; V382-E386 WeakPolarHBondContact O-CA 3.43Å; V382-E386 WeakPolarHBondContact O-CB 3.44Å; V382-E386 PolarHBondContact O-N 3.46Å; E386-G461 VanDerWaalsContact OE1-C 3.3Å
387G84.1Confident85Confident31 Ų3162.8 Ų62.832%0.3230%0.295SS..  trans73174.7-173.100000112.6V382 I383 F389 G390V382-G387 PolarHBondContact O-N 3.44Å; I383-G387 WeakPolarHBondContact O-CA 3.37Å; I383-G387 PolarHBondContact O-N 3.22Å; I383-G387 VanDerWaalsContact O-N 3.15Å; G387-F389 VanDerWaalsContact C-N 3.31Å; G387-F389 PolarHBondContact O-N 3.49Å; G387-G390 PolarHBondContact O-N 3.16Å; G387-G390 VanDerWaalsContact O-N 3.07Å
388F85.4Confident84.8Confident118 Ų11862.6 Ų62.652%0.51829%0.293SS..G310 helixtrans-59.3-40.6-179-178.5-101.1000112.7G390 L391 Y392F388-G390 PolarHBondContact O-N 3.29Å; F388-L391 HydrophobicContact CD2-CD1 4.28Å; F388-L391 HydrophobicContact CE2-CD1 4.44Å; F388-L391 WeakPolarHBondContact O-CB 3.24Å; F388-L391 PolarHBondContact O-N 3.43Å; F388-Y392 HydrophobicContact CE1-CE2 4.01Å; F388-Y392 HydrophobicContact CZ-CE2 4.1Å
389F85.6Confident84.7Confident171 Ų17165.7 Ų65.775%0.7531%0.309SS*.G310 helixtrans-67.5-19.4177.8-67.2-72000113.5G387 L391 Y392G387-F389 VanDerWaalsContact C-N 3.31Å; G387-F389 PolarHBondContact O-N 3.49Å; F389-L391 PolarHBondContact O-N 3.06Å; F389-Y392 PolarHBondContact O-N 3.43Å
390G82.9Confident84.4Confident8 Ų869 Ų698%0.08233%0.328CS..G310 helixtrans-56.7-33.6171.500000112.7L352 G387 F388 Y392 R393L352-G390 WeakPolarHBondContact CD1-O 3.37Å; G387-G390 PolarHBondContact O-N 3.16Å; G387-G390 VanDerWaalsContact O-N 3.07Å; F388-G390 PolarHBondContact O-N 3.29Å; G390-Y392 PolarHBondContact O-N 2.86Å; G390-Y392 VanDerWaalsContact O-N 3.17Å; G390-R393 WeakPolarHBondContact O-CB 3.48Å; G390-R393 PolarHBondContact O-N 3.5Å
391L86.4Confident83.8Confident1 Ų161.5 Ų61.51%0.00530%0.301CS..G310 helixtrans-62.6-21.7176.8-67.8169.5000113.5Y348 P349 L352 F379 V382 I383 F388 F389Y348-L391 WeakPolarHBondContact CD1-O 3.43Å; Y348-L391 WeakPolarHBondContact CE1-O 3.38Å; P349-L391 HydrophobicContact CB-CB 4.19Å; P349-L391 HydrophobicContact CB-CD1 4.25Å; P349-L391 HydrophobicContact CB-CD2 4.27Å; P349-L391 HydrophobicContact CB-CG 4.49Å; P349-L391 HydrophobicContact CG-CB 4.3Å; L352-L391 WeakPolarHBondContact CD1-O 3.19Å; L352-L391 HydrophobicContact CD2-CD2 4.44Å; F379-L391 HydrophobicContact CD2-CD1 4.35Å; F379-L391 HydrophobicContact CD2-CD2 3.8Å; F379-L391 HydrophobicContact CE2-CD1 3.67Å; F379-L391 HydrophobicContact CE2-CD2 3.95Å; F379-L391 HydrophobicContact CE2-CG 4.49Å; F379-L391 HydrophobicContact CZ-CD1 4.26Å; V382-L391 HydrophobicContact CB-CD2 4.06Å; V382-L391 HydrophobicContact CG1-CD2 3.75Å; V382-L391 HydrophobicContact CG1-CG 4.14Å; I383-L391 HydrophobicContact CD1-CD1 4.06Å; I383-L391 HydrophobicContact CG1-CD1 3.78Å; I383-L391 HydrophobicContact CG1-CG 4.27Å; F388-L391 HydrophobicContact CD2-CD1 4.28Å; F388-L391 HydrophobicContact CE2-CD1 4.44Å; F388-L391 WeakPolarHBondContact O-CB 3.24Å; F388-L391 PolarHBondContact O-N 3.43Å; F389-L391 PolarHBondContact O-N 3.06Å
392Y87.6Confident83.3Confident64 Ų6459 Ų5925%0.25129%0.291SS..G310 helixtrans-104.910.1-177.3-66.4-84.2000113.5T345 Y348 P349 F388 F389 G390 G394 L395T345-Y392 HydrophobicContact CG2-CD1 4.42Å; T345-Y392 HydrophobicContact CG2-CE1 3.96Å; T345-Y392 WeakPolarHBondContact O-CE1 3.28Å; Y348-Y392 HydrophobicContact CD1-CD1 4.03Å; Y348-Y392 HydrophobicContact CG-CD1 4.33Å; P349-Y392 HydrophobicContact CG-CE1 4.11Å; P349-Y392 HydrophobicContact CG-CE2 4.14Å; F388-Y392 HydrophobicContact CE1-CE2 4.01Å; F388-Y392 HydrophobicContact CZ-CE2 4.1Å; F389-Y392 PolarHBondContact O-N 3.43Å; G390-Y392 PolarHBondContact O-N 2.86Å; G390-Y392 VanDerWaalsContact O-N 3.17Å; Y392-G394 PolarHBondContact O-N 2.94Å; Y392-L395 HydrophobicContact CD1-CD2 4.02Å; Y392-L395 WeakPolarHBondContact O-CB 3.3Å; Y392-L395 PolarHBondContact O-N 3.4Å
393R81.9Confident82.7Confident56 Ų5660.1 Ų60.121%0.21130%0.3CS..THydrogen-bonded Turntrans-63.3122.9178.2-166.1175.4178.4156.5-1.6110.7Y348 L352 G390 L457 Q458 A460 G461Y348-R393 WeakPolarHBondContact CE1-O 3.27Å; Y348-R393 PolarHBondContact OH-O 3.22Å; L352-R393 HydrophobicContact CD1-CB 4.37Å; G390-R393 WeakPolarHBondContact O-CB 3.48Å; G390-R393 PolarHBondContact O-N 3.5Å; R393-L457 VanDerWaalsContact CD-O 3.28Å; R393-L457 WeakPolarHBondContact CD-O 3.35Å; R393-L457 WeakPolarHBondContact CG-O 3.45Å; R393-L457 PolarHBondContact NE-O 3.3Å; R393-Q458 WeakPolarHBondContact O-CG 3.41Å; R393-A460 VanDerWaalsContact NH2-CB 3.31Å; R393-G461 VanDerWaalsContact NH1-CA 3.29Å
394G81.3Confident82Confident10 Ų1059.9 Ų59.910%0.10330%0.303CS..THydrogen-bonded Turntrans90.25.2-176.200000115.2Y348 Y392 G396 P397Y348-G394 VanDerWaalsContact OH-CA 3.22Å; Y348-G394 WeakPolarHBondContact OH-CA 3.32Å; Y348-G394 PolarHBondContact OH-O 2.89Å; Y392-G394 PolarHBondContact O-N 2.94Å; G394-G396 VanDerWaalsContact C-N 3.27Å; G394-G396 PolarHBondContact O-N 3.35Å; G394-P397 WeakPolarHBondContact O-CD 3.31Å
395L84Confident81.4Confident31 Ų3152.2 Ų52.216%0.16228%0.275CS..Hα-helixtrans-59.9-37.3179.1178.467.9000112.1T345 Y348 Y392 Q398 I399T345-L395 HydrophobicContact CG2-CD1 4.48Å; T345-L395 HydrophobicContact CG2-CD2 3.97Å; Y348-L395 HydrophobicContact CD1-CB 4.43Å; Y348-L395 HydrophobicContact CD1-CD1 4.42Å; Y348-L395 HydrophobicContact CD2-CB 4.37Å; Y348-L395 HydrophobicContact CD2-CD1 3.43Å; Y348-L395 VanDerWaalsContact CD2-CD1 3.43Å; Y348-L395 HydrophobicContact CE1-CB 4.22Å; Y348-L395 HydrophobicContact CE2-CB 4.15Å; Y348-L395 HydrophobicContact CE2-CD1 3.93Å; Y348-L395 HydrophobicContact CG-CB 4.49Å; Y348-L395 HydrophobicContact CG-CD1 3.72Å; Y348-L395 PolarHBondContact OH-N 3.38Å; Y348-L395 VanDerWaalsContact OH-N 3.13Å; Y392-L395 HydrophobicContact CD1-CD2 4.02Å; Y392-L395 WeakPolarHBondContact O-CB 3.3Å; Y392-L395 PolarHBondContact O-N 3.4Å; L395-Q398 WeakPolarHBondContact O-CA 3.37Å; L395-Q398 WeakPolarHBondContact O-CB 3.2Å; L395-Q398 PolarHBondContact O-N 3.02Å; L395-Q398 VanDerWaalsContact O-N 3.07Å; L395-I399 HydrophobicContact CD1-CD1 3.93Å; L395-I399 HydrophobicContact CD1-CG1 3.94Å; L395-I399 HydrophobicContact CD2-CD1 3.84Å; L395-I399 HydrophobicContact CG-CD1 3.58Å; L395-I399 HydrophobicContact CG-CG1 3.99Å; L395-I399 PolarHBondContact O-N 3.14Å
396G83.7Confident80.7Confident41 Ų4148.2 Ų48.242%0.42326%0.257SS..Hα-helixtrans-52.7-59.2-178.800000113.6G394 Q398 I399 L400G394-G396 VanDerWaalsContact C-N 3.27Å; G394-G396 PolarHBondContact O-N 3.35Å; G396-Q398 PolarHBondContact O-N 3.11Å; G396-I399 PolarHBondContact O-N 2.88Å; G396-I399 VanDerWaalsContact O-N 3.16Å; G396-L400 WeakPolarHBondContact O-CG 3.38Å; G396-L400 PolarHBondContact O-N 3.44Å
397P79.6Confident80.1Confident15 Ų1547.1 Ų47.110%0.09726%0.257CS..Hα-helixtrans-56.1-34.1174.5-29.736000114.5G394 G401 V453 K454 L457 A471G394-P397 WeakPolarHBondContact O-CD 3.31Å; P397-G401 PolarHBondContact O-N 3.36Å; P397-G401 VanDerWaalsContact O-N 3.1Å; P397-V453 HydrophobicContact CB-CG1 4.31Å; P397-V453 HydrophobicContact CG-CG1 3.89Å; P397-K454 HydrophobicContact CB-CB 4.38Å; P397-L457 HydrophobicContact CG-CD1 3.84Å; P397-A471 HydrophobicContact CG-CB 4.33Å
398Q82.5Confident79.7Confident28 Ų2847.2 Ų47.213%0.13125%0.25CC..Hα-helixtrans-66.4-46.8176179.362.849.100111.4A344 Y348 L395 G396 G401 V402 K454A344-Q398 HydrophobicContact CB-CG 4.16Å; Y348-Q398 HydrophobicContact CD2-CG 4.45Å; Y348-Q398 HydrophobicContact CE2-CB 4Å; Y348-Q398 HydrophobicContact CE2-CG 4.28Å; L395-Q398 WeakPolarHBondContact O-CA 3.37Å; L395-Q398 WeakPolarHBondContact O-CB 3.2Å; L395-Q398 PolarHBondContact O-N 3.02Å; L395-Q398 VanDerWaalsContact O-N 3.07Å; G396-Q398 PolarHBondContact O-N 3.11Å; Q398-G401 PolarHBondContact O-N 3.09Å; Q398-V402 WeakPolarHBondContact O-CG2 2.96Å; Q398-V402 PolarHBondContact O-N 3.4Å; Q398-K454 HydrophobicContact CB-CD 4.2Å; Q398-K454 VanDerWaalsContact OE1-CE 3.23Å
399I83Confident79.1Confident66 Ų6643 Ų4334%0.33823%0.231SC..Hα-helixtrans-63.1-45.9178.2-69.3176.9000110.6A341 L395 G396 G401 V402A341-I399 HydrophobicContact CB-CG1 4.36Å; A341-I399 HydrophobicContact CB-CG2 3.99Å; L395-I399 HydrophobicContact CD1-CD1 3.93Å; L395-I399 HydrophobicContact CD1-CG1 3.94Å; L395-I399 HydrophobicContact CD2-CD1 3.84Å; L395-I399 HydrophobicContact CG-CD1 3.58Å; L395-I399 HydrophobicContact CG-CG1 3.99Å; L395-I399 PolarHBondContact O-N 3.14Å; G396-I399 PolarHBondContact O-N 2.88Å; G396-I399 VanDerWaalsContact O-N 3.16Å; I399-G401 PolarHBondContact O-N 3.48Å; I399-V402 PolarHBondContact O-N 3.15Å; I399-V402 VanDerWaalsContact O-N 3.13Å
400L79.9Confident78.1Confident128 Ų12840 Ų4067%0.6722%0.222SC*.Hα-helixtrans-58.1-30.7176.3-73.7171.8000112.4G396 P404G396-L400 WeakPolarHBondContact O-CG 3.38Å; G396-L400 PolarHBondContact O-N 3.44Å; L400-P404 WeakPolarHBondContact O-CD 3.18Å
401G76.9Confident77.4Confident4 Ų443.4 Ų43.44%0.04124%0.242CC..Hα-helixtrans-81.3-20.7178.400000115.7P397 Q398 I399 A403 P404 E405P397-G401 PolarHBondContact O-N 3.36Å; P397-G401 VanDerWaalsContact O-N 3.1Å; Q398-G401 PolarHBondContact O-N 3.09Å; I399-G401 PolarHBondContact O-N 3.48Å; G401-A403 PolarHBondContact O-N 3.17Å; G401-P404 WeakPolarHBondContact O-CD 3Å; G401-E405 WeakPolarHBondContact O-CB 3.4Å; G401-E405 PolarHBondContact O-N 2.63Å
402V77.3Confident76.7Confident4 Ų445 Ų452%0.02425%0.251CS..Hα-helixtrans-60.1-51.3-172.4170.10000112.1A344 Q398 I399 K406A344-V402 HydrophobicContact CB-CG2 4.2Å; Q398-V402 WeakPolarHBondContact O-CG2 2.96Å; Q398-V402 PolarHBondContact O-N 3.4Å; I399-V402 PolarHBondContact O-N 3.15Å; I399-V402 VanDerWaalsContact O-N 3.13Å; V402-K406 HydrophobicContact CG1-CG 4.3Å; V402-K406 WeakPolarHBondContact O-CB 3.4Å; V402-K406 WeakPolarHBondContact O-CG 3.09Å; V402-K406 PolarHBondContact O-N 3.29Å
403A73.4Confident75.9Confident24 Ų2442.6 Ų42.620%0.19824%0.243CC..Hα-helixtrans-65.9-51.3-174.200000112.1F333 S337 G401 E405 K406 A407F333-A403 HydrophobicContact CE1-CB 4.12Å; F333-A403 HydrophobicContact CZ-CB 3.87Å; S337-A403 WeakPolarHBondContact OG-CB 3.46Å; G401-A403 PolarHBondContact O-N 3.17Å; A403-E405 PolarHBondContact O-N 3.03Å; A403-K406 PolarHBondContact O-N 3.2Å; A403-A407 WeakPolarHBondContact O-CB 3.03Å; A403-A407 PolarHBondContact O-N 2.61Å
404P73.7Confident75.1Confident59 Ų5943.4 Ų43.438%0.38325%0.251SS..Hα-helixtrans-61.8-41.7176.3-22.334.9000112.5L400 G401 K406 A407 I408L400-P404 WeakPolarHBondContact O-CD 3.18Å; G401-P404 WeakPolarHBondContact O-CD 3Å; P404-K406 VanDerWaalsContact C-N 3.34Å; P404-K406 PolarHBondContact O-N 3.1Å; P404-A407 PolarHBondContact O-N 2.7Å; P404-I408 WeakPolarHBondContact O-CB 3.45Å; P404-I408 WeakPolarHBondContact O-CD1 3.31Å; P404-I408 VanDerWaalsContact O-CG1 3.27Å; P404-I408 WeakPolarHBondContact O-CG1 3.32Å; P404-I408 PolarHBondContact O-N 2.88Å
405E74Confident74.6Confident29 Ų2947.2 Ų47.214%0.13627%0.269CS..Hα-helixtrans-55.6-49.5177.1178.2-166.9135.400111.1G401 A403 K409 Q443 T447G401-E405 WeakPolarHBondContact O-CB 3.4Å; G401-E405 PolarHBondContact O-N 2.63Å; A403-E405 PolarHBondContact O-N 3.03Å; E405-K409 VanDerWaalsContact O-CB 3.26Å; E405-K409 WeakPolarHBondContact O-CB 3.06Å; E405-K409 PolarHBondContact O-N 2.61Å; E405-K409 VanDerWaalsContact O-N 3.11Å; E405-Q443 VanDerWaalsContact CD-NE2 3.32Å; E405-Q443 HydrophobicContact CG-CG 3.84Å; E405-Q443 VanDerWaalsContact CG-NE2 3.34Å; E405-Q443 PolarHBondContact OE1-NE2 2.81Å; E405-T447 HydrophobicContact CB-CG2 3.71Å; E405-T447 HydrophobicContact CG-CG2 3.88Å
406K71.3Confident73.9Confident73 Ų7346.6 Ų46.632%0.31727%0.266SS..Hα-helixtrans-70.2-41.1-176.7-67.9-77.7175-82.60111.5V402 A403 P404 L410V402-K406 HydrophobicContact CG1-CG 4.3Å; V402-K406 WeakPolarHBondContact O-CB 3.4Å; V402-K406 WeakPolarHBondContact O-CG 3.09Å; V402-K406 PolarHBondContact O-N 3.29Å; A403-K406 PolarHBondContact O-N 3.2Å; P404-K406 VanDerWaalsContact C-N 3.34Å; P404-K406 PolarHBondContact O-N 3.1Å; K406-L410 WeakPolarHBondContact O-CB 3.41Å; K406-L410 WeakPolarHBondContact O-CG 3.07Å; K406-L410 PolarHBondContact O-N 2.87Å; K406-L410 VanDerWaalsContact O-N 3.08Å
407A68.3Low73.1Confident28 Ų2847.1 Ų47.123%0.23126%0.255CS..Hα-helixtrans-55.9-57.5175.900000111F333 A403 P404 K409 L410 T411F333-A407 HydrophobicContact CE2-CB 3.66Å; F333-A407 HydrophobicContact CZ-CB 3.96Å; A403-A407 WeakPolarHBondContact O-CB 3.03Å; A403-A407 PolarHBondContact O-N 2.61Å; P404-A407 PolarHBondContact O-N 2.7Å; A407-K409 VanDerWaalsContact C-N 3.32Å; A407-K409 PolarHBondContact O-N 2.64Å; A407-L410 PolarHBondContact O-N 2.66Å; A407-T411 PolarHBondContact O-N 2.85Å; A407-T411 PolarHBondContact O-OG1 3.49Å
408I74.2Confident72.5Confident34 Ų3452.2 Ų52.217%0.17428%0.282CS..Hα-helixtrans-62.2-42.9-175.1-67.1161.1000110.8P404 L410 T411 V412 F446P404-I408 WeakPolarHBondContact O-CB 3.45Å; P404-I408 WeakPolarHBondContact O-CD1 3.31Å; P404-I408 VanDerWaalsContact O-CG1 3.27Å; P404-I408 WeakPolarHBondContact O-CG1 3.32Å; P404-I408 PolarHBondContact O-N 2.88Å; I408-L410 VanDerWaalsContact C-N 3.35Å; I408-L410 PolarHBondContact O-N 3.04Å; I408-T411 PolarHBondContact O-N 2.65Å; I408-V412 HydrophobicContact CG2-CG2 4.42Å; I408-V412 WeakPolarHBondContact O-CB 2.98Å; I408-V412 WeakPolarHBondContact O-CG2 3.43Å; I408-V412 PolarHBondContact O-N 2.98Å; I408-F446 HydrophobicContact CD1-CB 3.56Å; I408-F446 HydrophobicContact CD1-CD1 4.06Å; I408-F446 HydrophobicContact CD1-CD2 3.59Å; I408-F446 HydrophobicContact CD1-CE2 4.26Å; I408-F446 HydrophobicContact CD1-CG 3.46Å; I408-F446 VanDerWaalsContact CD1-CG 3.46Å; I408-F446 HydrophobicContact CG1-CD2 4.46Å; I408-F446 HydrophobicContact CG2-CD2 4.19Å
409K72.6Confident71.9Confident30 Ų3057.8 Ų57.813%0.1331%0.308CS..Hα-helixtrans-60.9-44.8179.4-173.3176.3-174.3162.30111.6E405 A407 N413 A439E405-K409 VanDerWaalsContact O-CB 3.26Å; E405-K409 WeakPolarHBondContact O-CB 3.06Å; E405-K409 PolarHBondContact O-N 2.61Å; E405-K409 VanDerWaalsContact O-N 3.11Å; A407-K409 VanDerWaalsContact C-N 3.32Å; A407-K409 PolarHBondContact O-N 2.64Å; K409-N413 WeakPolarHBondContact O-CB 3.12Å; K409-N413 PolarHBondContact O-N 2.82Å; K409-N413 VanDerWaalsContact O-N 3.07Å; K409-A439 HydrophobicContact CG-CB 4.09Å
410L66.5Low71.3Confident107 Ų10759.1 Ų59.156%0.5631%0.311SS*.Hα-helixtrans-67.9-49.9179-73.6169.5000111.2K406 A407 I408 V412 N413 D414K406-L410 WeakPolarHBondContact O-CB 3.41Å; K406-L410 WeakPolarHBondContact O-CG 3.07Å; K406-L410 PolarHBondContact O-N 2.87Å; K406-L410 VanDerWaalsContact O-N 3.08Å; A407-L410 PolarHBondContact O-N 2.66Å; I408-L410 VanDerWaalsContact C-N 3.35Å; I408-L410 PolarHBondContact O-N 3.04Å; L410-V412 VanDerWaalsContact C-N 3.34Å; L410-V412 PolarHBondContact O-N 3.21Å; L410-N413 PolarHBondContact O-N 3.28Å; L410-N413 VanDerWaalsContact O-N 3.15Å; L410-D414 PolarHBondContact O-N 3.38Å
411T67.4Low70.7Confident80 Ų8055.2 Ų55.249%0.49129%0.293SS..Hα-helixtrans-57.1-45.9-179.2-55.80000112.1A407 I408 D414 I415A407-T411 PolarHBondContact O-N 2.85Å; A407-T411 PolarHBondContact O-OG1 3.49Å; I408-T411 PolarHBondContact O-N 2.65Å; T411-D414 PolarHBondContact O-N 3.28Å; T411-I415 HydrophobicContact CG2-CD1 3.91Å; T411-I415 VanDerWaalsContact O-CG1 3.26Å; T411-I415 WeakPolarHBondContact O-CG1 3.44Å; T411-I415 PolarHBondContact O-N 3.02Å
412V71Confident69.7Low34 Ų3460.9 Ų60.921%0.20632%0.316CS..Hα-helixtrans-72.4-35.6179.8174.90000111.7I408 L410 D414 V416 C438 S442I408-V412 HydrophobicContact CG2-CG2 4.42Å; I408-V412 WeakPolarHBondContact O-CB 2.98Å; I408-V412 WeakPolarHBondContact O-CG2 3.43Å; I408-V412 PolarHBondContact O-N 2.98Å; L410-V412 VanDerWaalsContact C-N 3.34Å; L410-V412 PolarHBondContact O-N 3.21Å; V412-D414 VanDerWaalsContact C-N 3.33Å; V412-D414 PolarHBondContact O-N 3.26Å; V412-V416 HydrophobicContact CG1-CG2 4.27Å; V412-V416 VanDerWaalsContact O-CG2 3.29Å; V412-V416 WeakPolarHBondContact O-CG2 3.38Å; V412-V416 PolarHBondContact O-N 3.04Å; V412-V416 VanDerWaalsContact O-N 3.11Å; V412-C438 HydrophobicContact CG1-CB 4.27Å; V412-S442 WeakPolarHBondContact CB-OG 3.32Å; V412-S442 WeakPolarHBondContact CG2-OG 3.45Å
413N71Confident68.3Low13 Ų1366.1 Ų66.17%0.0735%0.351CS..Hα-helixtrans-61-45.3175.3-166-93.7000111K409 L410 R417 A439K409-N413 WeakPolarHBondContact O-CB 3.12Å; K409-N413 PolarHBondContact O-N 2.82Å; K409-N413 VanDerWaalsContact O-N 3.07Å; L410-N413 PolarHBondContact O-N 3.28Å; L410-N413 VanDerWaalsContact O-N 3.15Å; N413-R417 VanDerWaalsContact O-CB 3.31Å; N413-R417 WeakPolarHBondContact O-CB 3.48Å; N413-R417 WeakPolarHBondContact O-CG 3.3Å; N413-R417 PolarHBondContact O-N 3.36Å; N413-R417 WeakPolarHBondContact OD1-CD 3.46Å; N413-A439 HydrophobicContact CB-CB 3.95Å
414D66.1Low66.9Low73 Ų7370.4 Ų70.439%0.3937%0.37SS..Hα-helixtrans-65.3-49179.8-71.2-19000111.3L410 T411 V412 V416 R417 D418L410-D414 PolarHBondContact O-N 3.38Å; T411-D414 PolarHBondContact O-N 3.28Å; V412-D414 VanDerWaalsContact C-N 3.33Å; V412-D414 PolarHBondContact O-N 3.26Å; D414-V416 VanDerWaalsContact C-N 3.31Å; D414-V416 PolarHBondContact O-N 3.44Å; D414-R417 PolarHBondContact O-N 3Å; D414-D418 WeakPolarHBondContact O-CB 3.31Å; D414-D418 VanDerWaalsContact O-CG 3.27Å; D414-D418 PolarHBondContact O-N 3.4Å
415I69.3Low66Low91 Ų9168.1 Ų68.147%0.46736%0.357SS..Hα-helixtrans-54.8-46.7177.9-70.5166.8000111.6T411 Q419T411-I415 HydrophobicContact CG2-CD1 3.91Å; T411-I415 VanDerWaalsContact O-CG1 3.26Å; T411-I415 WeakPolarHBondContact O-CG1 3.44Å; T411-I415 PolarHBondContact O-N 3.02Å; I415-Q419 WeakPolarHBondContact O-CG 3.4Å; I415-Q419 PolarHBondContact O-N 3.1Å
416V69.9Low64.8Low17 Ų1770.5 Ų70.510%0.10337%0.371CS..Hα-helixtrans-72.7-40-178-178.60000110.5V412 D414 D418 Q419 F420 C438V412-V416 HydrophobicContact CG1-CG2 4.27Å; V412-V416 VanDerWaalsContact O-CG2 3.29Å; V412-V416 WeakPolarHBondContact O-CG2 3.38Å; V412-V416 PolarHBondContact O-N 3.04Å; V412-V416 VanDerWaalsContact O-N 3.11Å; D414-V416 VanDerWaalsContact C-N 3.31Å; D414-V416 PolarHBondContact O-N 3.44Å; V416-D418 VanDerWaalsContact C-N 3.33Å; V416-D418 PolarHBondContact O-N 3.16Å; V416-Q419 PolarHBondContact O-N 3.13Å; V416-F420 HydrophobicContact CG1-CD2 3.8Å; V416-F420 HydrophobicContact CG1-CE2 3.78Å; V416-F420 WeakPolarHBondContact O-CD2 3.21Å; V416-F420 PolarHBondContact O-N 2.86Å; V416-C438 HydrophobicContact CG2-CB 3.93Å
417R66.8Low64.5Low53 Ų5368.8 Ų68.820%0.237%0.365CS..Hα-helixtrans-62.2-41.8176.9-76.3177.684.910910.8111.6N413 D414 Q419 F420 T421 I427 E432 S435N413-R417 VanDerWaalsContact O-CB 3.31Å; N413-R417 WeakPolarHBondContact O-CB 3.48Å; N413-R417 WeakPolarHBondContact O-CG 3.3Å; N413-R417 PolarHBondContact O-N 3.36Å; N413-R417 WeakPolarHBondContact OD1-CD 3.46Å; D414-R417 PolarHBondContact O-N 3Å; R417-Q419 VanDerWaalsContact C-N 3.29Å; R417-Q419 PolarHBondContact O-N 3.2Å; R417-F420 CarbonylContact O-C 3.13Å; R417-F420 PolarHBondContact O-N 3.04Å; R417-F420 VanDerWaalsContact O-N 3.12Å; R417-T421 WeakPolarHBondContact O-CB 3.47Å; R417-T421 PolarHBondContact O-N 3.15Å; R417-T421 PolarHBondContact O-OG1 2.94Å; R417-I427 HydrophobicContact CB-CD1 4.12Å; R417-I427 HydrophobicContact CG-CD1 4.21Å; R417-E432 IonicContact CZ-OE1 2.63Å; R417-E432 IonicContact NH1-OE1 2.61Å; R417-E432 IonicContact NH2-OE1 2.82Å; R417-E432 PolarHBondContact NH2-OE1 3.24Å; R417-S435 WeakPolarHBondContact CG-OG 3.36Å
418D67.1Low64.6Low122 Ų12270.3 Ų70.365%0.65237%0.374SS*.Hα-helixtrans-62.6-37.6-179.1-72.1-13.3000111.7D414 V416 F420D414-D418 WeakPolarHBondContact O-CB 3.31Å; D414-D418 VanDerWaalsContact O-CG 3.27Å; D414-D418 PolarHBondContact O-N 3.4Å; V416-D418 VanDerWaalsContact C-N 3.33Å; V416-D418 PolarHBondContact O-N 3.16Å; D418-F420 VanDerWaalsContact C-N 3.33Å; D418-F420 PolarHBondContact O-N 2.82Å
419Q70.1Confident64.5Low145 Ų14572.9 Ų72.968%0.67839%0.387SS*.Hα-helixtrans-66.6-30.8175.5-71.1179.8-2.900113.8I415 V416 R417I415-Q419 WeakPolarHBondContact O-CG 3.4Å; I415-Q419 PolarHBondContact O-N 3.1Å; V416-Q419 PolarHBondContact O-N 3.13Å; R417-Q419 VanDerWaalsContact C-N 3.29Å; R417-Q419 PolarHBondContact O-N 3.2Å
420F70.7Confident64.6Low93 Ų9380.4 Ų80.441%0.40842%0.416SS..Hα-helixtrans-101.8-4-178.6-70.8-72.6000114.2V416 R417 D418 K422 A431 L434V416-F420 HydrophobicContact CG1-CD2 3.8Å; V416-F420 HydrophobicContact CG1-CE2 3.78Å; V416-F420 WeakPolarHBondContact O-CD2 3.21Å; V416-F420 PolarHBondContact O-N 2.86Å; R417-F420 CarbonylContact O-C 3.13Å; R417-F420 PolarHBondContact O-N 3.04Å; R417-F420 VanDerWaalsContact O-N 3.12Å; D418-F420 VanDerWaalsContact C-N 3.33Å; D418-F420 PolarHBondContact O-N 2.82Å; F420-K422 PolarHBondContact O-N 3.17Å; F420-A431 HydrophobicContact CB-CB 3.48Å; F420-A431 VanDerWaalsContact CB-CB 3.48Å; F420-A431 HydrophobicContact CD1-CB 4.2Å; F420-A431 HydrophobicContact CD2-CB 4.36Å; F420-A431 HydrophobicContact CG-CB 3.78Å; F420-L434 HydrophobicContact CD2-CD2 4.46Å; F420-L434 HydrophobicContact CE1-CD2 4.35Å; F420-L434 HydrophobicContact CE2-CD2 3.57Å; F420-L434 HydrophobicContact CE2-CG 4.48Å; F420-L434 HydrophobicContact CZ-CD2 3.5Å; F420-L434 VanDerWaalsContact CZ-CD2 3.5Å
421T67.2Low64.9Low47 Ų4775.7 Ų75.729%0.28839%0.392SS..  trans-73.2115.1177.6-62.20000108.1R417 I427R417-T421 WeakPolarHBondContact O-CB 3.47Å; R417-T421 PolarHBondContact O-N 3.15Å; R417-T421 PolarHBondContact O-OG1 2.94Å; T421-I427 HydrophobicContact CG2-CG1 4.26Å; T421-I427 WeakPolarHBondContact OG1-CD1 3.31Å; T421-I427 VanDerWaalsContact OG1-CG1 3.3Å; T421-I427 WeakPolarHBondContact OG1-CG1 3.39Å
422K56.1Low65.1Low122 Ų12273.1 Ų73.153%0.5337%0.374SS..  trans-64.8160.2178.3-66.9-175177.8-173.20110.2F420 N424 G425 D426 R624F420-K422 PolarHBondContact O-N 3.17Å; K422-N424 HydrophobicContact CB-CB 4.43Å; K422-N424 PolarHBondContact O-N 2.93Å; K422-G425 PolarHBondContact O-N 2.75Å; K422-D426 PolarHBondContact N-O 2.58Å; K422-R624 PolarHBondContact O-NH2 2.88Å
423P47.4Very low65.3Low115 Ų11574.5 Ų74.575%0.74738%0.38SS*.THydrogen-bonded Turntrans-59.811.1168.1-19.130.9000114.4R624P423-R624 PolarHBondContact O-NH1 2.76Å; P423-R624 PolarHBondContact O-NH2 2.71Å
424N44.9Very low65.7Low113 Ų11377.8 Ų77.860%0.60440%0.397SS*.THydrogen-bonded Turntrans-110-10.2176.4-43.458000111.7K422 D426 R624K422-N424 HydrophobicContact CB-CB 4.43Å; K422-N424 PolarHBondContact O-N 2.93Å; N424-D426 PolarHBondContact O-N 2.99Å; N424-R624 PolarHBondContact O-NH1 2.98Å
425G54.3Low66Low11 Ų1174.3 Ų74.311%0.11338%0.379CS..SBendtrans85.1-12.6-177.600000113K422K422-G425 PolarHBondContact O-N 2.75Å
426D49.2Very low66.2Low80 Ų8070 Ų7043%0.42836%0.357SS..  trans-76132.8174.5-81.2-23.7000111.5K243 K422 N424K243-D426 IonicContact NZ-OD2 3.89Å; K243-D426 PolarHBondContact NZ-OD2 3.19Å; K422-D426 PolarHBondContact N-O 2.58Å; N424-D426 PolarHBondContact O-N 2.99Å
427I65Low66.7Low36 Ų3669.7 Ų69.719%0.18536%0.357CS..  trans-106.9127.8169.4-59.2164.7000107.1R417 T421 A431 E432R417-I427 HydrophobicContact CB-CD1 4.12Å; R417-I427 HydrophobicContact CG-CD1 4.21Å; T421-I427 HydrophobicContact CG2-CG1 4.26Å; T421-I427 WeakPolarHBondContact OG1-CD1 3.31Å; T421-I427 VanDerWaalsContact OG1-CG1 3.3Å; T421-I427 WeakPolarHBondContact OG1-CG1 3.39Å; I427-A431 HydrophobicContact CG2-CB 3.59Å; I427-E432 HydrophobicContact CB-CG 4.18Å; I427-E432 HydrophobicContact CG2-CG 3.67Å
428S70.8Confident67.4Low60 Ų6069.4 Ų69.442%0.4236%0.362SS..  trans-62.7146.7175178.70000110.7Y430 A431 E432S428-Y430 PolarHBondContact O-N 3.27Å; S428-Y430 VanDerWaalsContact O-N 3.15Å; S428-A431 WeakPolarHBondContact O-CA 3.37Å; S428-A431 WeakPolarHBondContact O-CB 3.29Å; S428-A431 PolarHBondContact O-N 3.3Å; S428-E432 PolarHBondContact O-N 2.7Å
429I71.4Confident67.8Low89 Ų8963.6 Ų63.646%0.45633%0.331SS..Hα-helixtrans-53-39.8177.8-66.9168.9000111.1A431 E432 I433I429-A431 VanDerWaalsContact C-N 3.3Å; I429-A431 PolarHBondContact O-N 3.26Å; I429-E432 PolarHBondContact O-N 2.54Å; I429-I433 HydrophobicContact CG2-CD1 3.85Å; I429-I433 HydrophobicContact CG2-CG1 4.46Å; I429-I433 WeakPolarHBondContact O-CG1 3.28Å; I429-I433 PolarHBondContact O-N 3.2Å
430Y73.7Confident68.2Low188 Ų18856.7 Ų56.774%0.73730%0.299SS*.Hα-helixtrans-63.4-35.6176.9-64.3-74.3000112.7S428 L434S428-Y430 PolarHBondContact O-N 3.27Å; S428-Y430 VanDerWaalsContact O-N 3.15Å; Y430-L434 VanDerWaalsContact O-CB 3.24Å; Y430-L434 WeakPolarHBondContact O-CB 3.39Å; Y430-L434 PolarHBondContact O-N 3.3Å
431A74.3Confident68.8Low7 Ų753.3 Ų53.36%0.05829%0.288CS..Hα-helixtrans-74.3-33.7175.600000112.4F420 I427 S428 I429 L434 S435F420-A431 HydrophobicContact CB-CB 3.48Å; F420-A431 VanDerWaalsContact CB-CB 3.48Å; F420-A431 HydrophobicContact CD1-CB 4.2Å; F420-A431 HydrophobicContact CD2-CB 4.36Å; F420-A431 HydrophobicContact CG-CB 3.78Å; I427-A431 HydrophobicContact CG2-CB 3.59Å; S428-A431 WeakPolarHBondContact O-CA 3.37Å; S428-A431 WeakPolarHBondContact O-CB 3.29Å; S428-A431 PolarHBondContact O-N 3.3Å; I429-A431 VanDerWaalsContact C-N 3.3Å; I429-A431 PolarHBondContact O-N 3.26Å; A431-L434 PolarHBondContact O-N 3.08Å; A431-S435 VanDerWaalsContact O-CB 3.32Å; A431-S435 WeakPolarHBondContact O-CB 3.48Å; A431-S435 PolarHBondContact O-N 2.9Å; A431-S435 PolarHBondContact O-OG 2.76Å
432E70.1Confident69.4Low26 Ų2651.8 Ų51.812%0.12128%0.28CS..Hα-helixtrans-64-43170.5-63.8-154.5141.600111.5R417 I427 S428 I429 S435 G436 S506R417-E432 IonicContact CZ-OE1 2.63Å; R417-E432 IonicContact NH1-OE1 2.61Å; R417-E432 IonicContact NH2-OE1 2.82Å; R417-E432 PolarHBondContact NH2-OE1 3.24Å; I427-E432 HydrophobicContact CB-CG 4.18Å; I427-E432 HydrophobicContact CG2-CG 3.67Å; S428-E432 PolarHBondContact O-N 2.7Å; I429-E432 PolarHBondContact O-N 2.54Å; E432-S435 WeakPolarHBondContact CA-OG 3.38Å; E432-S435 PolarHBondContact O-OG 3Å; E432-G436 PolarHBondContact O-N 2.98Å; E432-S506 WeakPolarHBondContact OE2-CB 3.25Å; E432-S506 PolarHBondContact OE2-OG 3.04Å
433I76.4Confident70.6Confident64 Ų6446.7 Ų46.733%0.32826%0.257SS..Hα-helixtrans-63.3-45175.2-71.3168.9000110.4I429 G436 G437 A499 T503I429-I433 HydrophobicContact CG2-CD1 3.85Å; I429-I433 HydrophobicContact CG2-CG1 4.46Å; I429-I433 WeakPolarHBondContact O-CG1 3.28Å; I429-I433 PolarHBondContact O-N 3.2Å; I433-G436 PolarHBondContact O-N 3.11Å; I433-G437 PolarHBondContact O-N 3.19Å; I433-A499 HydrophobicContact CG2-CB 3.95Å; I433-T503 WeakPolarHBondContact CG1-OG1 3.29Å
434L78.3Confident72.3Confident82 Ų8241.2 Ų41.243%0.42922%0.222SC..Hα-helixtrans-65.5-47.7-179.7-175.363.7000111.7F420 Y430 A431 G436 G437 C438F420-L434 HydrophobicContact CD2-CD2 4.46Å; F420-L434 HydrophobicContact CE1-CD2 4.35Å; F420-L434 HydrophobicContact CE2-CD2 3.57Å; F420-L434 HydrophobicContact CE2-CG 4.48Å; F420-L434 HydrophobicContact CZ-CD2 3.5Å; F420-L434 VanDerWaalsContact CZ-CD2 3.5Å; Y430-L434 VanDerWaalsContact O-CB 3.24Å; Y430-L434 WeakPolarHBondContact O-CB 3.39Å; Y430-L434 PolarHBondContact O-N 3.3Å; A431-L434 PolarHBondContact O-N 3.08Å; L434-G436 VanDerWaalsContact C-N 3.34Å; L434-G436 PolarHBondContact O-N 2.87Å; L434-G437 CarbonylContact O-C 3.49Å; L434-G437 PolarHBondContact O-N 3.41Å; L434-G437 VanDerWaalsContact O-N 3.15Å; L434-C438 WeakPolarHBondContact O-CB 3.08Å; L434-C438 PolarHBondContact O-N 3.41Å; L434-C438 PolarHBondContact O-SG 3.2Å; L434-C438 VanDerWaalsContact O-SG 3.35Å
435S73.3Confident74.1Confident0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-61.4-41.1175.555.80000112.4R417 A431 E432 A439R417-S435 WeakPolarHBondContact CG-OG 3.36Å; A431-S435 VanDerWaalsContact O-CB 3.32Å; A431-S435 WeakPolarHBondContact O-CB 3.48Å; A431-S435 PolarHBondContact O-N 2.9Å; A431-S435 PolarHBondContact O-OG 2.76Å; E432-S435 WeakPolarHBondContact CA-OG 3.38Å; E432-S435 PolarHBondContact O-OG 3Å; S435-A439 VanDerWaalsContact O-CB 3.24Å; S435-A439 WeakPolarHBondContact O-CB 3.37Å; S435-A439 PolarHBondContact O-N 3.12Å
436G74Confident75.3Confident0 Ų045.1 Ų45.10%023%0.234CC..Hα-helixtrans-60.7-44.3171.600000112.6E432 I433 L434 A439 G440 S498 F502E432-G436 PolarHBondContact O-N 2.98Å; I433-G436 PolarHBondContact O-N 3.11Å; L434-G436 VanDerWaalsContact C-N 3.34Å; L434-G436 PolarHBondContact O-N 2.87Å; G436-A439 PolarHBondContact O-N 3.01Å; G436-G440 PolarHBondContact O-N 3.25Å; G436-S498 WeakPolarHBondContact O-CB 3.43Å; G436-F502 VanDerWaalsContact CA-CD2 3.48Å
437G80.8Confident76.9Confident10 Ų1041.8 Ų41.810%0.10322%0.216CC..Hα-helixtrans-64-48.2177.400000112.9I433 L434 A439 G440 A441I433-G437 PolarHBondContact O-N 3.19Å; L434-G437 CarbonylContact O-C 3.49Å; L434-G437 PolarHBondContact O-N 3.41Å; L434-G437 VanDerWaalsContact O-N 3.15Å; G437-A439 PolarHBondContact O-N 3.47Å; G437-G440 PolarHBondContact O-N 3.31Å; G437-A441 WeakPolarHBondContact O-CB 3.39Å; G437-A441 PolarHBondContact O-N 2.73Å
438C80.9Confident77.8Confident47 Ų4740.1 Ų40.132%0.31821%0.208SC..Hα-helixtrans-61.2-42175.9-70.70000111.9V412 V416 L434 G440 A441 S442V412-C438 HydrophobicContact CG1-CB 4.27Å; V416-C438 HydrophobicContact CG2-CB 3.93Å; L434-C438 WeakPolarHBondContact O-CB 3.08Å; L434-C438 PolarHBondContact O-N 3.41Å; L434-C438 PolarHBondContact O-SG 3.2Å; L434-C438 VanDerWaalsContact O-SG 3.35Å; C438-G440 VanDerWaalsContact C-N 3.34Å; C438-G440 PolarHBondContact O-N 3.04Å; C438-A441 PolarHBondContact O-N 3.06Å; C438-S442 PolarHBondContact O-N 3.29Å; C438-S442 PolarHBondContact O-OG 3.43Å
439A74.9Confident78.4Confident0 Ų038.4 Ų38.40%020%0.195CC..Hα-helixtrans-64.2-3817500000112.5K409 N413 S435 G436 G437 S442 Q443K409-A439 HydrophobicContact CG-CB 4.09Å; N413-A439 HydrophobicContact CB-CB 3.95Å; S435-A439 VanDerWaalsContact O-CB 3.24Å; S435-A439 WeakPolarHBondContact O-CB 3.37Å; S435-A439 PolarHBondContact O-N 3.12Å; G436-A439 PolarHBondContact O-N 3.01Å; G437-A439 PolarHBondContact O-N 3.47Å; A439-S442 PolarHBondContact O-OG 3.29Å; A439-Q443 VanDerWaalsContact O-CB 3.32Å; A439-Q443 WeakPolarHBondContact O-CB 3.23Å; A439-Q443 PolarHBondContact O-N 3.46Å; A439-Q443 VanDerWaalsContact O-N 3.16Å
440G79Confident78.9Confident0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-66.7-39.1172.200000112.6G436 G437 C438 Q443 V444G436-G440 PolarHBondContact O-N 3.25Å; G437-G440 PolarHBondContact O-N 3.31Å; C438-G440 VanDerWaalsContact C-N 3.34Å; C438-G440 PolarHBondContact O-N 3.04Å; G440-Q443 WeakPolarHBondContact O-CB 3.45Å; G440-V444 WeakPolarHBondContact O-CG2 3.46Å; G440-V444 PolarHBondContact O-N 3.13Å
441A83.9Confident79.2Confident22 Ų2229.3 Ų29.318%0.18216%0.159CC..Hα-helixtrans-68.1-46.5178.400000112.1G437 C438 Q443 V444 I445 F491 I495G437-A441 WeakPolarHBondContact O-CB 3.39Å; G437-A441 PolarHBondContact O-N 2.73Å; C438-A441 PolarHBondContact O-N 3.06Å; A441-Q443 VanDerWaalsContact C-N 3.3Å; A441-Q443 PolarHBondContact O-N 3.15Å; A441-V444 PolarHBondContact O-N 2.57Å; A441-I445 PolarHBondContact O-N 2.88Å; A441-F491 HydrophobicContact CB-CD1 4.07Å; A441-F491 HydrophobicContact CB-CE1 3.92Å; A441-F491 VanDerWaalsContact O-CE1 3.29Å; A441-F491 WeakPolarHBondContact O-CE1 3.25Å; A441-I495 HydrophobicContact CB-CD1 4.03Å; A441-I495 HydrophobicContact CB-CG1 4.07Å
442S78.9Confident79.6Confident16 Ų1629 Ų2911%0.11216%0.157CC..Hα-helixtrans-61.4-40.917763.10000111.4V412 C438 A439 V444 I445 F446V412-S442 WeakPolarHBondContact CB-OG 3.32Å; V412-S442 WeakPolarHBondContact CG2-OG 3.45Å; C438-S442 PolarHBondContact O-N 3.29Å; C438-S442 PolarHBondContact O-OG 3.43Å; A439-S442 PolarHBondContact O-OG 3.29Å; S442-V444 VanDerWaalsContact C-N 3.34Å; S442-V444 PolarHBondContact O-N 3.49Å; S442-I445 PolarHBondContact O-N 2.95Å; S442-F446 WeakPolarHBondContact O-CD2 2.93Å
443Q81.8Confident80.3Confident14 Ų1428.2 Ų28.27%0.06515%0.153CC..Hα-helixtrans-53.3-50.4174.2175.1-177.6-20.600111.4E405 A439 G440 A441 I445 F446 T447E405-Q443 VanDerWaalsContact CD-NE2 3.32Å; E405-Q443 HydrophobicContact CG-CG 3.84Å; E405-Q443 VanDerWaalsContact CG-NE2 3.34Å; E405-Q443 PolarHBondContact OE1-NE2 2.81Å; A439-Q443 VanDerWaalsContact O-CB 3.32Å; A439-Q443 WeakPolarHBondContact O-CB 3.23Å; A439-Q443 PolarHBondContact O-N 3.46Å; A439-Q443 VanDerWaalsContact O-N 3.16Å; G440-Q443 WeakPolarHBondContact O-CB 3.45Å; A441-Q443 VanDerWaalsContact C-N 3.3Å; A441-Q443 PolarHBondContact O-N 3.15Å; Q443-I445 PolarHBondContact O-N 3.25Å; Q443-F446 PolarHBondContact O-N 3.03Å; Q443-F446 VanDerWaalsContact O-N 3.11Å; Q443-T447 HydrophobicContact CG-CG2 3.87Å; Q443-T447 WeakPolarHBondContact O-CG2 3.11Å; Q443-T447 PolarHBondContact O-N 3.5Å; Q443-T447 PolarHBondContact O-OG1 2.92Å
444V82.8Confident80.7Confident1 Ų125.7 Ų25.71%0.00614%0.14CC..Hα-helixtrans-56.4-38.6-177.3169.70000112.3G440 A441 S442 F446 N448 C490 F491 D494G440-V444 WeakPolarHBondContact O-CG2 3.46Å; G440-V444 PolarHBondContact O-N 3.13Å; A441-V444 PolarHBondContact O-N 2.57Å; S442-V444 VanDerWaalsContact C-N 3.34Å; S442-V444 PolarHBondContact O-N 3.49Å; V444-F446 PolarHBondContact O-N 3.27Å; V444-N448 HydrophobicContact CG1-CB 4.49Å; V444-N448 WeakPolarHBondContact O-CB 3.5Å; V444-N448 PolarHBondContact O-N 3.34Å; V444-C490 HydrophobicContact CB-CB 4.43Å; V444-C490 HydrophobicContact CG1-CB 3.54Å; V444-C490 HydrophobicContact CG2-CB 3.97Å; V444-F491 HydrophobicContact CB-CD1 4Å; V444-F491 HydrophobicContact CB-CE1 3.85Å; V444-F491 HydrophobicContact CB-CZ 4.22Å; V444-F491 HydrophobicContact CG1-CD1 4.01Å; V444-F491 HydrophobicContact CG1-CD2 4.02Å; V444-F491 HydrophobicContact CG1-CE1 3.91Å; V444-F491 HydrophobicContact CG1-CE2 3.9Å; V444-F491 HydrophobicContact CG1-CG 4.06Å; V444-F491 HydrophobicContact CG1-CZ 3.85Å; V444-F491 HydrophobicContact CG2-CD1 4.26Å; V444-D494 HydrophobicContact CG2-CB 3.67Å; V444-D494 WeakPolarHBondContact CG2-OD2 3.41Å
445I82.7Confident80.8Confident82 Ų8222 Ų2242%0.42112%0.121SC..Hα-helixtrans-58.8-38.2-178.2-64.2171.3000111.2A441 S442 Q443 Y484 F491A441-I445 PolarHBondContact O-N 2.88Å; S442-I445 PolarHBondContact O-N 2.95Å; Q443-I445 PolarHBondContact O-N 3.25Å; I445-Y484 WeakPolarHBondContact O-CE1 3.4Å; I445-Y484 PolarHBondContact O-OH 3.35Å; I445-F491 HydrophobicContact CG1-CE1 4.41Å; I445-F491 HydrophobicContact CG1-CZ 3.96Å
446F79.9Confident81.1Confident124 Ų12424.3 Ų24.354%0.54413%0.129SC..Hα-helixtrans-95.8-32.1-176.6-68.4-85.5000113.2I408 S442 Q443 V444I408-F446 HydrophobicContact CD1-CB 3.56Å; I408-F446 HydrophobicContact CD1-CD1 4.06Å; I408-F446 HydrophobicContact CD1-CD2 3.59Å; I408-F446 HydrophobicContact CD1-CE2 4.26Å; I408-F446 HydrophobicContact CD1-CG 3.46Å; I408-F446 VanDerWaalsContact CD1-CG 3.46Å; I408-F446 HydrophobicContact CG1-CD2 4.46Å; I408-F446 HydrophobicContact CG2-CD2 4.19Å; S442-F446 WeakPolarHBondContact O-CD2 2.93Å; Q443-F446 PolarHBondContact O-N 3.03Å; Q443-F446 VanDerWaalsContact O-N 3.11Å; V444-F446 PolarHBondContact O-N 3.27Å
447T81.7Confident81.4Confident10 Ų1024.9 Ų24.96%0.06113%0.133CC..Hα-helixtrans-90.3-17.2-175.664.90000113.7E405 Q443 L450 E451E405-T447 HydrophobicContact CB-CG2 3.71Å; E405-T447 HydrophobicContact CG-CG2 3.88Å; Q443-T447 HydrophobicContact CG-CG2 3.87Å; Q443-T447 WeakPolarHBondContact O-CG2 3.11Å; Q443-T447 PolarHBondContact O-N 3.5Å; Q443-T447 PolarHBondContact O-OG1 2.92Å; T447-L450 PolarHBondContact O-N 2.88Å; T447-L450 VanDerWaalsContact O-N 3.1Å; T447-E451 WeakPolarHBondContact O-CB 3.49Å; T447-E451 PolarHBondContact O-N 3.37Å
448N83.6Confident81.2Confident0 Ų024.4 Ų24.40%013%0.128CC..Hα-helixtrans-57.8-42.7-178.4-168.675.7000113.7V444 L450 E451 I452 L483 Y484 C490 Q550V444-N448 HydrophobicContact CG1-CB 4.49Å; V444-N448 WeakPolarHBondContact O-CB 3.5Å; V444-N448 PolarHBondContact O-N 3.34Å; N448-L450 VanDerWaalsContact C-N 3.33Å; N448-L450 PolarHBondContact O-N 2.82Å; N448-E451 PolarHBondContact O-N 3.42Å; N448-I452 WeakPolarHBondContact O-CG2 3.38Å; N448-I452 PolarHBondContact O-N 3.02Å; N448-L483 PolarHBondContact ND2-O 3.22Å; N448-Y484 VanDerWaalsContact ND2-CA 3.34Å; N448-Y484 WeakPolarHBondContact ND2-CA 3.42Å; N448-C490 PolarHBondContact OD1-SG 2.91Å; N448-Q550 PolarHBondContact OD1-NE2 2.7Å
449P84Confident80.9Confident25 Ų2522.7 Ų22.716%0.16212%0.116CC..Hα-helixtrans-58.7-40.7173.3-26.937.1000113.7E451 I452 V453 L483 Y484P449-E451 VanDerWaalsContact C-N 3.34Å; P449-I452 VanDerWaalsContact O-CG2 3.25Å; P449-I452 WeakPolarHBondContact O-CG2 3.24Å; P449-V453 VanDerWaalsContact O-CG2 3.23Å; P449-V453 WeakPolarHBondContact O-CG2 3.42Å; P449-V453 PolarHBondContact O-N 2.69Å; P449-L483 HydrophobicContact CB-CB 4.06Å; P449-L483 HydrophobicContact CB-CD1 4.25Å; P449-L483 HydrophobicContact CB-CD2 4.42Å; P449-L483 HydrophobicContact CB-CG 4.48Å; P449-L483 HydrophobicContact CG-CB 4.3Å; P449-Y484 HydrophobicContact CG-CE1 4.39Å; P449-Y484 HydrophobicContact CG-CE2 4.2Å
450L82.6Confident80.6Confident60 Ų6023 Ų2331%0.31412%0.118SC..Hα-helixtrans-69.6-36.9177.8-63.3174.5000111.2T447 N448 V453 K454T447-L450 PolarHBondContact O-N 2.88Å; T447-L450 VanDerWaalsContact O-N 3.1Å; N448-L450 VanDerWaalsContact C-N 3.33Å; N448-L450 PolarHBondContact O-N 2.82Å; L450-V453 PolarHBondContact O-N 2.74Å; L450-K454 VanDerWaalsContact O-CB 3.32Å; L450-K454 WeakPolarHBondContact O-CB 3.28Å; L450-K454 PolarHBondContact O-N 3.48Å
451E80Confident79.8Confident26 Ų2623.8 Ų23.812%0.12113%0.126CC..Hα-helixtrans-74.8-38.7-175.4-163.1163.8-175.800113.1T447 N448 P449 V453 K454 I455 R493 K546T447-E451 WeakPolarHBondContact O-CB 3.49Å; T447-E451 PolarHBondContact O-N 3.37Å; N448-E451 PolarHBondContact O-N 3.42Å; P449-E451 VanDerWaalsContact C-N 3.34Å; E451-V453 VanDerWaalsContact C-N 3.33Å; E451-K454 PolarHBondContact O-N 3.34Å; E451-I455 HydrophobicContact CG-CD1 4.05Å; E451-I455 WeakPolarHBondContact O-CB 3.14Å; E451-I455 VanDerWaalsContact O-CG1 3.31Å; E451-I455 WeakPolarHBondContact O-CG1 3.45Å; E451-I455 PolarHBondContact O-N 3.28Å; E451-R493 IonicContact OE1-CZ 3.93Å; E451-R493 IonicContact OE1-NH1 3.28Å; E451-R493 PolarHBondContact OE1-NH1 2.81Å; E451-R493 IonicContact OE1-NH2 3.99Å; E451-R493 PolarHBondContact OE1-NH2 2.84Å; E451-R493 IonicContact OE2-NH2 2.7Å; E451-R493 PolarHBondContact OE2-NH2 3.09Å; E451-R493 VanDerWaalsContact OE2-NH2 3.09Å; E451-K546 WeakPolarHBondContact OE1-CE 3.32Å; E451-K546 IonicContact OE1-NZ 2.92Å; E451-K546 PolarHBondContact OE1-NZ 3.35Å; E451-K546 IonicContact OE2-NZ 3.23Å; E451-K546 PolarHBondContact OE2-NZ 3.36Å
452I83.2Confident78.8Confident1 Ų123.5 Ų23.51%0.00512%0.121CC..Hα-helixtrans-65-39.3173.6-170164.8000111.3N448 P449 I455 R456 L478 L483 K485 Q550N448-I452 WeakPolarHBondContact O-CG2 3.38Å; N448-I452 PolarHBondContact O-N 3.02Å; P449-I452 VanDerWaalsContact O-CG2 3.25Å; P449-I452 WeakPolarHBondContact O-CG2 3.24Å; I452-I455 PolarHBondContact O-N 3.01Å; I452-R456 WeakPolarHBondContact O-CB 3.4Å; I452-R456 WeakPolarHBondContact O-CG 3.22Å; I452-R456 PolarHBondContact O-N 2.8Å; I452-L478 HydrophobicContact CD1-CD1 3.67Å; I452-L478 HydrophobicContact CD1-CD2 4.26Å; I452-L478 HydrophobicContact CG1-CD1 3.87Å; I452-L478 HydrophobicContact CG2-CD1 4.15Å; I452-L483 HydrophobicContact CG2-CD2 3.73Å; I452-K485 HydrophobicContact CD1-CB 4.26Å; I452-Q550 HydrophobicContact CD1-CB 4.49Å; I452-Q550 HydrophobicContact CD1-CG 4.38Å; I452-Q550 HydrophobicContact CG1-CB 4.2Å; I452-Q550 HydrophobicContact CG1-CG 4.4Å
453V84Confident77.9Confident8 Ų825.6 Ų25.65%0.04813%0.133CC..Hα-helixtrans-63.6-48.5175.4173.50000110.1P397 P449 L450 E451 I455 R456 L457 A471 V474 V475 L483P397-V453 HydrophobicContact CB-CG1 4.31Å; P397-V453 HydrophobicContact CG-CG1 3.89Å; P449-V453 VanDerWaalsContact O-CG2 3.23Å; P449-V453 WeakPolarHBondContact O-CG2 3.42Å; P449-V453 PolarHBondContact O-N 2.69Å; L450-V453 PolarHBondContact O-N 2.74Å; E451-V453 VanDerWaalsContact C-N 3.33Å; V453-I455 PolarHBondContact O-N 2.93Å; V453-R456 PolarHBondContact O-N 3.4Å; V453-L457 HydrophobicContact CG1-CD1 4.06Å; V453-L457 HydrophobicContact CG1-CG 4.49Å; V453-L457 VanDerWaalsContact O-CG 3.32Å; V453-L457 WeakPolarHBondContact O-CG 3.37Å; V453-L457 PolarHBondContact O-N 3.1Å; V453-A471 HydrophobicContact CG1-CB 3.75Å; V453-V474 HydrophobicContact CB-CG1 4.4Å; V453-V474 HydrophobicContact CG2-CB 4.48Å; V453-V474 HydrophobicContact CG2-CG1 3.97Å; V453-V475 HydrophobicContact CG2-CG2 3.82Å; V453-L483 HydrophobicContact CG2-CD2 4.04Å
454K83.7Confident76.5Confident11 Ų1129.9 Ų29.95%0.04817%0.171CC..Hα-helixtrans-54.2-52.6175.5173.4-166170-174.60111.9D351 P397 Q398 L450 E451 R456 L457 Q458D351-K454 WeakPolarHBondContact OD2-CE 3.24Å; D351-K454 IonicContact OD2-NZ 2.77Å; D351-K454 PolarHBondContact OD2-NZ 2.85Å; P397-K454 HydrophobicContact CB-CB 4.38Å; Q398-K454 HydrophobicContact CB-CD 4.2Å; Q398-K454 VanDerWaalsContact OE1-CE 3.23Å; L450-K454 VanDerWaalsContact O-CB 3.32Å; L450-K454 WeakPolarHBondContact O-CB 3.28Å; L450-K454 PolarHBondContact O-N 3.48Å; E451-K454 PolarHBondContact O-N 3.34Å; K454-R456 VanDerWaalsContact C-N 3.35Å; K454-R456 PolarHBondContact O-N 3.34Å; K454-L457 PolarHBondContact O-N 3.46Å; K454-Q458 HydrophobicContact CG-CG 4.36Å; K454-Q458 WeakPolarHBondContact O-CG 3.34Å; K454-Q458 PolarHBondContact O-N 3.15Å
455I81.2Confident74.9Confident4 Ų437.4 Ų37.42%0.02121%0.211CC..Hα-helixtrans-62.3-43.2-176.9-71.7165.1000110.6E451 I452 V453 L457 Q458 V459 T547 Q550 V551E451-I455 HydrophobicContact CG-CD1 4.05Å; E451-I455 WeakPolarHBondContact O-CB 3.14Å; E451-I455 VanDerWaalsContact O-CG1 3.31Å; E451-I455 WeakPolarHBondContact O-CG1 3.45Å; E451-I455 PolarHBondContact O-N 3.28Å; I452-I455 PolarHBondContact O-N 3.01Å; V453-I455 PolarHBondContact O-N 2.93Å; I455-L457 VanDerWaalsContact C-N 3.31Å; I455-L457 PolarHBondContact O-N 3Å; I455-Q458 PolarHBondContact O-N 3.24Å; I455-V459 WeakPolarHBondContact O-CG2 3.44Å; I455-V459 PolarHBondContact O-N 3.4Å; I455-T547 HydrophobicContact CD1-CG2 4.47Å; I455-Q550 HydrophobicContact CD1-CB 4.5Å; I455-V551 HydrophobicContact CG2-CG2 3.47Å; I455-V551 VanDerWaalsContact CG2-CG2 3.47Å
456R80.1Confident73.4Confident49 Ų4936.1 Ų36.119%0.18521%0.207CC..Hα-helixtrans-61.1-39.7176.3-78.4-176.4168.1-148.22.2112.3I452 V453 K454 A460 V474I452-R456 WeakPolarHBondContact O-CB 3.4Å; I452-R456 WeakPolarHBondContact O-CG 3.22Å; I452-R456 PolarHBondContact O-N 2.8Å; V453-R456 PolarHBondContact O-N 3.4Å; K454-R456 VanDerWaalsContact C-N 3.35Å; K454-R456 PolarHBondContact O-N 3.34Å; R456-A460 VanDerWaalsContact O-CB 3.3Å; R456-A460 WeakPolarHBondContact O-CB 3.01Å; R456-A460 PolarHBondContact O-N 3.38Å; R456-V474 HydrophobicContact CB-CG1 4.07Å; R456-V474 HydrophobicContact CB-CG2 4.19Å; R456-V474 HydrophobicContact CG-CG1 4.31Å
457L80.5Confident72.1Confident13 Ų1341.3 Ų41.37%0.06822%0.223CC..Hα-helixtrans-69.8-39.6176.3-67.4177000112.8R393 P397 V453 K454 I455 V459 A460 L469 A471 V474R393-L457 VanDerWaalsContact CD-O 3.28Å; R393-L457 WeakPolarHBondContact CD-O 3.35Å; R393-L457 WeakPolarHBondContact CG-O 3.45Å; R393-L457 PolarHBondContact NE-O 3.3Å; P397-L457 HydrophobicContact CG-CD1 3.84Å; V453-L457 HydrophobicContact CG1-CD1 4.06Å; V453-L457 HydrophobicContact CG1-CG 4.49Å; V453-L457 VanDerWaalsContact O-CG 3.32Å; V453-L457 WeakPolarHBondContact O-CG 3.37Å; V453-L457 PolarHBondContact O-N 3.1Å; K454-L457 PolarHBondContact O-N 3.46Å; I455-L457 VanDerWaalsContact C-N 3.31Å; I455-L457 PolarHBondContact O-N 3Å; L457-V459 VanDerWaalsContact C-N 3.29Å; L457-V459 PolarHBondContact O-N 3.44Å; L457-A460 PolarHBondContact O-N 2.9Å; L457-L469 HydrophobicContact CD2-CB 4.17Å; L457-L469 WeakPolarHBondContact CD2-O 3.3Å; L457-A471 HydrophobicContact CD1-CB 4.29Å; L457-V474 HydrophobicContact CD2-CG2 4.36Å
458Q75.4Confident71Confident0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-64.1-34.3177.9-76177.4-23.500112.3Y348 D351 T355 R356 R393 K454 I455Y348-Q458 VanDerWaalsContact OH-CG 3.23Å; Y348-Q458 WeakPolarHBondContact OH-CG 3.47Å; Y348-Q458 PolarHBondContact OH-NE2 2.87Å; D351-Q458 PolarHBondContact OD2-NE2 2.95Å; D351-Q458 VanDerWaalsContact OD2-NE2 3.1Å; T355-Q458 PolarHBondContact OG1-OE1 3.37Å; R356-Q458 PolarHBondContact NE-O 3.44Å; R356-Q458 PolarHBondContact NH2-O 3.46Å; R393-Q458 WeakPolarHBondContact O-CG 3.41Å; K454-Q458 HydrophobicContact CG-CG 4.36Å; K454-Q458 WeakPolarHBondContact O-CG 3.34Å; K454-Q458 PolarHBondContact O-N 3.15Å; I455-Q458 PolarHBondContact O-N 3.24Å
459V74.7Confident70.1Confident11 Ų1151.9 Ų51.97%0.06727%0.273CS..Hα-helixtrans-87.8-22.8179.6176.50000112.8N359 I455 L457 G461 E462 V551N359-V459 HydrophobicContact CB-CG2 4.37Å; N359-V459 WeakPolarHBondContact ND2-CG1 3.21Å; I455-V459 WeakPolarHBondContact O-CG2 3.44Å; I455-V459 PolarHBondContact O-N 3.4Å; L457-V459 VanDerWaalsContact C-N 3.29Å; L457-V459 PolarHBondContact O-N 3.44Å; V459-G461 PolarHBondContact O-N 2.96Å; V459-G461 VanDerWaalsContact O-N 3.08Å; V459-E462 WeakPolarHBondContact O-CB 3.33Å; V459-E462 WeakPolarHBondContact O-CG 3.47Å; V459-E462 PolarHBondContact O-N 3.29Å; V459-V551 HydrophobicContact CB-CG2 4.37Å; V459-V551 HydrophobicContact CG1-CG1 3.89Å; V459-V551 HydrophobicContact CG1-CG2 4.45Å; V459-V551 HydrophobicContact CG2-CG2 3.79Å
460A69.5Low69.7Low7 Ų753.4 Ų53.46%0.05828%0.284CS..Hα-helixtrans-58.3-25.5-179.400000114.3R393 R456 L457 E462 V463 T466 L469R393-A460 VanDerWaalsContact NH2-CB 3.31Å; R456-A460 VanDerWaalsContact O-CB 3.3Å; R456-A460 WeakPolarHBondContact O-CB 3.01Å; R456-A460 PolarHBondContact O-N 3.38Å; L457-A460 PolarHBondContact O-N 2.9Å; A460-E462 PolarHBondContact O-N 3.35Å; A460-V463 PolarHBondContact O-N 3.49Å; A460-T466 PolarHBondContact O-OG1 3.49Å; A460-T466 VanDerWaalsContact O-OG1 3.1Å; A460-L469 HydrophobicContact CB-CB 4.42Å; A460-L469 HydrophobicContact CB-CD1 3.78Å
461G61Low69.4Low15 Ų1552.5 Ų52.516%0.15529%0.285CS..THydrogen-bonded Turntrans-67.1-22.2174.600000114.2E386 R393 V459 V463E386-G461 VanDerWaalsContact OE1-C 3.3Å; R393-G461 VanDerWaalsContact NH1-CA 3.29Å; V459-G461 PolarHBondContact O-N 2.96Å; V459-G461 VanDerWaalsContact O-N 3.08Å; G461-V463 PolarHBondContact O-N 3.24Å
462E63.8Low69.4Low17 Ų1758.8 Ų58.88%0.07931%0.312CS..THydrogen-bonded Turntrans-74.9-6.4179.8-56.8-177.2165.800114R356 N359 M371 V459 A460 R554R356-E462 VanDerWaalsContact CB-OE1 3.29Å; R356-E462 WeakPolarHBondContact CB-OE1 3.29Å; R356-E462 WeakPolarHBondContact CD-OE1 3.33Å; R356-E462 HydrophobicContact CG-CG 4.32Å; R356-E462 WeakPolarHBondContact CG-OE1 3.3Å; N359-E462 PolarHBondContact ND2-OE2 3.46Å; M371-E462 HydrophobicContact CE-CB 4Å; M371-E462 HydrophobicContact CE-CG 4.37Å; V459-E462 WeakPolarHBondContact O-CB 3.33Å; V459-E462 WeakPolarHBondContact O-CG 3.47Å; V459-E462 PolarHBondContact O-N 3.29Å; A460-E462 PolarHBondContact O-N 3.35Å; E462-R554 PolarHBondContact O-NH2 3.23Å; E462-R554 IonicContact OE2-CZ 3.65Å; E462-R554 IonicContact OE2-NH2 2.75Å; E462-R554 PolarHBondContact OE2-NH2 3.02Å
463V60.4Low69.3Low59 Ų5960.2 Ų60.236%0.35832%0.323SS..SBendtrans-107.5110.2-179.1-177.10000108.5A460 G461 N465 T466A460-V463 PolarHBondContact O-N 3.49Å; G461-V463 PolarHBondContact O-N 3.24Å; V463-N465 PolarHBondContact O-N 3.23Å; V463-T466 HydrophobicContact CB-CG2 3.99Å; V463-T466 WeakPolarHBondContact CB-OG1 3.38Å; V463-T466 HydrophobicContact CG1-CG2 3.66Å; V463-T466 PolarHBondContact O-N 2.96Å; V463-T466 PolarHBondContact O-OG1 2.93Å
464A51.3Low69.2Low105 Ų10560 Ų6087%0.86832%0.321SS*.THydrogen-bonded Turntrans-59-10.9-174.500000115.2
465N50.7Low69.3Low159 Ų15962.2 Ų62.285%0.8534%0.336SS*.THydrogen-bonded Turntrans-127.27.3-173.4-86.1-10.6000115.5V463 R467V463-N465 PolarHBondContact O-N 3.23Å; N465-R467 PolarHBondContact O-N 3.44Å
466T50.3Low69.4Low54 Ų5469.8 Ų69.833%0.33137%0.368SS..  trans-85.6115177.542.70000111A460 V463 H468A460-T466 PolarHBondContact O-OG1 3.49Å; A460-T466 VanDerWaalsContact O-OG1 3.1Å; V463-T466 HydrophobicContact CB-CG2 3.99Å; V463-T466 WeakPolarHBondContact CB-OG1 3.38Å; V463-T466 HydrophobicContact CG1-CG2 3.66Å; V463-T466 PolarHBondContact O-N 2.96Å; V463-T466 PolarHBondContact O-OG1 2.93Å; T466-H468 PolarHBondContact O-N 2.91Å
467R51.7Low69.6Low234 Ų23472.7 Ų72.788%0.88339%0.387SS*.  trans-38138.2161.1-165.3177.6-169.4178.23.6109N465 L469N465-R467 PolarHBondContact O-N 3.44Å; R467-L469 VanDerWaalsContact C-N 3.32Å; R467-L469 PolarHBondContact O-N 3.26Å
468H59.3Low69.6Low170 Ų17073.4 Ų73.479%0.78739%0.391SS*.  trans-4394.8178-75.5-86.9000111T466 S470T466-H468 PolarHBondContact O-N 2.91Å; H468-S470 PolarHBondContact O-N 3.29Å
469L63.9Low70Confident62 Ų6274.9 Ų74.933%0.32541%0.406SS..  trans-64.1123.1178.4-75.1171.1000106.1L457 A460 R467L457-L469 HydrophobicContact CD2-CB 4.17Å; L457-L469 WeakPolarHBondContact CD2-O 3.3Å; A460-L469 HydrophobicContact CB-CB 4.42Å; A460-L469 HydrophobicContact CB-CD1 3.78Å; R467-L469 VanDerWaalsContact C-N 3.32Å; R467-L469 PolarHBondContact O-N 3.26Å
470S75.7Confident70.3Confident57 Ų5781 Ų8140%0.39944%0.438SS..  trans-90.3158175.6870000108.9H468 F472 S473 V474H468-S470 PolarHBondContact O-N 3.29Å; S470-F472 PolarHBondContact O-N 3.31Å; S470-F472 PolarHBondContact OG-N 3.37Å; S470-S473 PolarHBondContact N-OG 3.38Å; S470-S473 VanDerWaalsContact N-OG 3.17Å; S470-S473 PolarHBondContact O-N 2.87Å; S470-S473 PolarHBondContact O-OG 2.94Å; S470-S473 PolarHBondContact OG-N 3.42Å; S470-S473 VanDerWaalsContact OG-N 3.15Å; S470-V474 PolarHBondContact O-N 3.38Å
471A77.5Confident70.9Confident40 Ų4089.9 Ų89.933%0.33148%0.476SS..Hα-helixtrans-55.8-37.1173.100000111.4P397 V453 L457 V474 V475P397-A471 HydrophobicContact CG-CB 4.33Å; V453-A471 HydrophobicContact CG1-CB 3.75Å; L457-A471 HydrophobicContact CD1-CB 4.29Å; A471-V474 PolarHBondContact O-N 2.88Å; A471-V475 WeakPolarHBondContact O-CG2 3.3Å; A471-V475 PolarHBondContact O-N 3.3Å
472F79.2Confident71.9Confident159 Ų15989.9 Ų89.970%0.69748%0.476SS*.Hα-helixtrans-66.2-40.3179.6-173.4-99000112.6S470 V474 V475 K476S470-F472 PolarHBondContact O-N 3.31Å; S470-F472 PolarHBondContact OG-N 3.37Å; F472-V474 VanDerWaalsContact C-N 3.33Å; F472-V474 PolarHBondContact O-N 3.35Å; F472-V475 PolarHBondContact O-N 2.94Å; F472-K476 WeakPolarHBondContact O-CB 3.44Å; F472-K476 PolarHBondContact O-N 2.98Å
473S81.7Confident72.8Confident31 Ų3189.7 Ų89.722%0.21748%0.475CS..Hα-helixtrans-64.1-41.4175.867.30000110.9S470 V475 K476 D477S470-S473 PolarHBondContact N-OG 3.38Å; S470-S473 VanDerWaalsContact N-OG 3.17Å; S470-S473 PolarHBondContact O-N 2.87Å; S470-S473 PolarHBondContact O-OG 2.94Å; S470-S473 PolarHBondContact OG-N 3.42Å; S470-S473 VanDerWaalsContact OG-N 3.15Å; S473-V475 VanDerWaalsContact C-N 3.34Å; S473-V475 PolarHBondContact O-N 3.44Å; S473-K476 PolarHBondContact O-N 2.95Å; S473-D477 WeakPolarHBondContact O-CB 3.35Å; S473-D477 PolarHBondContact O-N 3.35Å
474V82.4Confident73.9Confident2 Ų292 Ų921%0.01248%0.478CS..Hα-helixtrans-61.5-41.9177.2176.30000112.3V453 R456 L457 S470 A471 F472 L478V453-V474 HydrophobicContact CB-CG1 4.4Å; V453-V474 HydrophobicContact CG2-CB 4.48Å; V453-V474 HydrophobicContact CG2-CG1 3.97Å; R456-V474 HydrophobicContact CB-CG1 4.07Å; R456-V474 HydrophobicContact CB-CG2 4.19Å; R456-V474 HydrophobicContact CG-CG1 4.31Å; L457-V474 HydrophobicContact CD2-CG2 4.36Å; S470-V474 PolarHBondContact O-N 3.38Å; A471-V474 PolarHBondContact O-N 2.88Å; F472-V474 VanDerWaalsContact C-N 3.33Å; F472-V474 PolarHBondContact O-N 3.35Å; V474-L478 HydrophobicContact CG1-CD1 3.94Å; V474-L478 WeakPolarHBondContact O-CB 3.46Å; V474-L478 PolarHBondContact O-N 2.89Å; V474-L478 VanDerWaalsContact O-N 3.15Å
475V84.3Confident75.1Confident59 Ų5992.4 Ų92.436%0.35846%0.461SS..Hα-helixtrans-64.8-45176.8169.60000110.8V453 A471 F472 S473 D477 L478 G479 L483V453-V475 HydrophobicContact CG2-CG2 3.82Å; A471-V475 WeakPolarHBondContact O-CG2 3.3Å; A471-V475 PolarHBondContact O-N 3.3Å; F472-V475 PolarHBondContact O-N 2.94Å; S473-V475 VanDerWaalsContact C-N 3.34Å; S473-V475 PolarHBondContact O-N 3.44Å; V475-D477 PolarHBondContact O-N 2.76Å; V475-L478 PolarHBondContact O-N 2.76Å; V475-G479 PolarHBondContact O-N 3.37Å; V475-L483 HydrophobicContact CG1-CD1 4.33Å; V475-L483 HydrophobicContact CG2-CD2 4.31Å
476K84.6Confident76.2Confident163 Ų16385.5 Ų85.571%0.70943%0.427SS*.Hα-helixtrans-62.6-41.3177.9-172.5176.4179176.20112.1F472 S473F472-K476 WeakPolarHBondContact O-CB 3.44Å; F472-K476 PolarHBondContact O-N 2.98Å; S473-K476 PolarHBondContact O-N 2.95Å
477D83.2Confident77.7Confident109 Ų10984.4 Ų84.458%0.58342%0.421SS*.Hα-helixtrans-70.1-32.6-178.4-66-14.7000113S473 V475S473-D477 WeakPolarHBondContact O-CB 3.35Å; S473-D477 PolarHBondContact O-N 3.35Å; V475-D477 PolarHBondContact O-N 2.76Å
478L81.4Confident79.3Confident29 Ų2982.9 Ų82.915%0.15242%0.416CS..Hα-helixtrans-85.5-35.2179.9-80.5170000113I452 V474 V475 G482 L483I452-L478 HydrophobicContact CD1-CD1 3.67Å; I452-L478 HydrophobicContact CD1-CD2 4.26Å; I452-L478 HydrophobicContact CG1-CD1 3.87Å; I452-L478 HydrophobicContact CG2-CD1 4.15Å; V474-L478 HydrophobicContact CG1-CD1 3.94Å; V474-L478 WeakPolarHBondContact O-CB 3.46Å; V474-L478 PolarHBondContact O-N 2.89Å; V474-L478 VanDerWaalsContact O-N 3.15Å; V475-L478 PolarHBondContact O-N 2.76Å; L478-G482 VanDerWaalsContact O-CA 3.28Å; L478-G482 WeakPolarHBondContact O-CA 3.48Å; L478-G482 PolarHBondContact O-N 3.25Å; L478-L483 HydrophobicContact CB-CD2 4.41Å; L478-L483 HydrophobicContact CB-CG 4.46Å; L478-L483 HydrophobicContact CD1-CD2 3.97Å
479G84Confident80.2Confident31 Ų3174.8 Ų74.832%0.3238%0.378SS..Hα-helixtrans65.2173.8-165.500000112.9V475 F481 G482 L483V475-G479 PolarHBondContact O-N 3.37Å; G479-F481 PolarHBondContact O-N 3.24Å; G479-G482 PolarHBondContact O-N 3.12Å; G479-L483 WeakPolarHBondContact O-CG 3.44Å; G479-L483 PolarHBondContact O-N 3.49Å; G479-L483 VanDerWaalsContact O-N 3.13Å
480L80.7Confident81.1Confident139 Ų13971.9 Ų71.973%0.72836%0.363SS*.Hα-helixtrans-59.8-43.1-173.7-66.5174.9000112.9L483 Y484L480-L483 PolarHBondContact O-N 3.01Å; L480-Y484 WeakPolarHBondContact O-CD2 3.46Å
481F81.4Confident81.6Confident193 Ų19372.1 Ų72.185%0.84636%0.357SS*.Hα-helixtrans-73.2-34178.4-65.5-72.8000112.9G479 L483 Y484G479-F481 PolarHBondContact O-N 3.24Å; F481-L483 VanDerWaalsContact C-N 3.25Å; F481-L483 PolarHBondContact O-N 3.18Å; F481-Y484 PolarHBondContact O-N 3.41Å; F481-Y484 VanDerWaalsContact O-N 3.1Å
482G81.9Confident82Confident16 Ų1674.3 Ų74.317%0.16536%0.363CS..Hα-helixtrans-66.2-28.3176.800000112.7L478 G479 Y484 K485L478-G482 VanDerWaalsContact O-CA 3.28Å; L478-G482 WeakPolarHBondContact O-CA 3.48Å; L478-G482 PolarHBondContact O-N 3.25Å; G479-G482 PolarHBondContact O-N 3.12Å; G482-Y484 PolarHBondContact O-N 3.13Å; G482-K485 WeakPolarHBondContact O-CB 3.23Å; G482-K485 PolarHBondContact O-N 2.98Å
483L83Confident82.2Confident13 Ų1367.4 Ų67.47%0.06833%0.332CS..THydrogen-bonded Turntrans-63-19.9173.2-69.7169.7000113.2N448 P449 I452 V453 V475 L478 G479 L480 F481N448-L483 PolarHBondContact ND2-O 3.22Å; P449-L483 HydrophobicContact CB-CB 4.06Å; P449-L483 HydrophobicContact CB-CD1 4.25Å; P449-L483 HydrophobicContact CB-CD2 4.42Å; P449-L483 HydrophobicContact CB-CG 4.48Å; P449-L483 HydrophobicContact CG-CB 4.3Å; I452-L483 HydrophobicContact CG2-CD2 3.73Å; V453-L483 HydrophobicContact CG2-CD2 4.04Å; V475-L483 HydrophobicContact CG1-CD1 4.33Å; V475-L483 HydrophobicContact CG2-CD2 4.31Å; L478-L483 HydrophobicContact CB-CD2 4.41Å; L478-L483 HydrophobicContact CB-CG 4.46Å; L478-L483 HydrophobicContact CD1-CD2 3.97Å; G479-L483 WeakPolarHBondContact O-CG 3.44Å; G479-L483 PolarHBondContact O-N 3.49Å; G479-L483 VanDerWaalsContact O-N 3.13Å; L480-L483 PolarHBondContact O-N 3.01Å; F481-L483 VanDerWaalsContact C-N 3.25Å; F481-L483 PolarHBondContact O-N 3.18Å
484Y82.9Confident82.3Confident106 Ų10666.3 Ų66.342%0.41632%0.324SS..THydrogen-bonded Turntrans-94.13.4174.7-71.9-85.4000113.5I445 N448 P449 L480 F481 G482 G486 S487I445-Y484 WeakPolarHBondContact O-CE1 3.4Å; I445-Y484 PolarHBondContact O-OH 3.35Å; N448-Y484 VanDerWaalsContact ND2-CA 3.34Å; N448-Y484 WeakPolarHBondContact ND2-CA 3.42Å; P449-Y484 HydrophobicContact CG-CE1 4.39Å; P449-Y484 HydrophobicContact CG-CE2 4.2Å; L480-Y484 WeakPolarHBondContact O-CD2 3.46Å; F481-Y484 PolarHBondContact O-N 3.41Å; F481-Y484 VanDerWaalsContact O-N 3.1Å; G482-Y484 PolarHBondContact O-N 3.13Å; Y484-G486 PolarHBondContact O-N 2.93Å; Y484-S487 WeakPolarHBondContact O-CB 3.42Å; Y484-S487 PolarHBondContact O-N 3.38Å; Y484-S487 PolarHBondContact O-OG 2.92Å
485K77.4Confident82.4Confident115 Ų11569.3 Ų69.350%0.534%0.339SS..THydrogen-bonded Turntrans-62.1130.6174.9-170.3173.1179.2174.50110.1I452 G482 S487 Q550I452-K485 HydrophobicContact CD1-CB 4.26Å; G482-K485 WeakPolarHBondContact O-CB 3.23Å; G482-K485 PolarHBondContact O-N 2.98Å; K485-S487 VanDerWaalsContact C-N 3.3Å; K485-S487 PolarHBondContact O-N 3.23Å; K485-Q550 PolarHBondContact O-NE2 3.31Å
486G74.6Confident82.5Confident14 Ų1468.8 Ų68.814%0.14434%0.337CS..THydrogen-bonded Turntrans79.93-17600000115Y484 R488 A489 C490Y484-G486 PolarHBondContact O-N 2.93Å; G486-R488 PolarHBondContact O-N 3.38Å; G486-A489 WeakPolarHBondContact O-CA 3.46Å; G486-A489 VanDerWaalsContact O-CB 3.29Å; G486-A489 WeakPolarHBondContact O-CB 3.27Å; G486-A489 PolarHBondContact O-N 3.11Å; G486-C490 PolarHBondContact O-N 3.17Å; G486-C490 VanDerWaalsContact O-N 3.1Å; G486-C490 PolarHBondContact O-SG 3.09Å; G486-C490 VanDerWaalsContact O-SG 3.35Å
487S81.4Confident82.6Confident30 Ų3062.1 Ų62.121%0.2131%0.308CS..Hα-helixtrans-51.1-40.5176.856.10000113.1Y484 K485 A489 C490 F491Y484-S487 WeakPolarHBondContact O-CB 3.42Å; Y484-S487 PolarHBondContact O-N 3.38Å; Y484-S487 PolarHBondContact O-OG 2.92Å; K485-S487 VanDerWaalsContact C-N 3.3Å; K485-S487 PolarHBondContact O-N 3.23Å; S487-A489 VanDerWaalsContact C-N 3.29Å; S487-A489 PolarHBondContact O-N 2.81Å; S487-C490 CarbonylContact O-C 3.57Å; S487-C490 WeakPolarHBondContact O-CA 3.32Å; S487-C490 VanDerWaalsContact O-CB 3.26Å; S487-C490 WeakPolarHBondContact O-CB 3.41Å; S487-C490 PolarHBondContact O-N 3.39Å; S487-F491 WeakPolarHBondContact O-CD2 3.3Å; S487-F491 PolarHBondContact O-N 2.97Å
488R84.5Confident82.4Confident203 Ų20357 Ų5777%0.76628%0.28SS*.Hα-helixtrans-57.2-39173.7-66.2-175.9-179.6177.70.3112.9G486 C490 L492 V563G486-R488 PolarHBondContact O-N 3.38Å; R488-C490 VanDerWaalsContact C-N 3.32Å; R488-L492 WeakPolarHBondContact O-CB 3.47Å; R488-L492 PolarHBondContact O-N 2.82Å; R488-L492 VanDerWaalsContact O-N 3.07Å; R488-V563 HydrophobicContact CB-CG2 3.86Å
489A78.6Confident82.3Confident0 Ų056.4 Ų56.40%028%0.28CS..Hα-helixtrans-70.8-31.617500000111.6G486 S487 L492 R493 I545 K546 L549 V563G486-A489 WeakPolarHBondContact O-CA 3.46Å; G486-A489 VanDerWaalsContact O-CB 3.29Å; G486-A489 WeakPolarHBondContact O-CB 3.27Å; G486-A489 PolarHBondContact O-N 3.11Å; S487-A489 VanDerWaalsContact C-N 3.29Å; S487-A489 PolarHBondContact O-N 2.81Å; A489-L492 PolarHBondContact O-N 3.24Å; A489-R493 PolarHBondContact O-N 3.14Å; A489-R493 VanDerWaalsContact O-N 3.14Å; A489-I545 HydrophobicContact CB-CG2 4.35Å; A489-K546 HydrophobicContact CB-CB 3.73Å; A489-K546 HydrophobicContact CB-CG 4.42Å; A489-L549 HydrophobicContact CB-CD1 4.08Å; A489-V563 HydrophobicContact CB-CG2 3.99Å
490C82.3Confident82.3Confident0 Ų056.9 Ų56.90%028%0.275CS..Hα-helixtrans-68-45.2174-55.60000111.9V444 N448 G486 S487 R488 L492 R493 D494 K546 Q550V444-C490 HydrophobicContact CB-CB 4.43Å; V444-C490 HydrophobicContact CG1-CB 3.54Å; V444-C490 HydrophobicContact CG2-CB 3.97Å; N448-C490 PolarHBondContact OD1-SG 2.91Å; G486-C490 PolarHBondContact O-N 3.17Å; G486-C490 VanDerWaalsContact O-N 3.1Å; G486-C490 PolarHBondContact O-SG 3.09Å; G486-C490 VanDerWaalsContact O-SG 3.35Å; S487-C490 CarbonylContact O-C 3.57Å; S487-C490 WeakPolarHBondContact O-CA 3.32Å; S487-C490 VanDerWaalsContact O-CB 3.26Å; S487-C490 WeakPolarHBondContact O-CB 3.41Å; S487-C490 PolarHBondContact O-N 3.39Å; R488-C490 VanDerWaalsContact C-N 3.32Å; C490-L492 VanDerWaalsContact C-N 3.31Å; C490-L492 PolarHBondContact O-N 2.65Å; C490-R493 WeakPolarHBondContact O-CB 3.5Å; C490-R493 PolarHBondContact O-N 3.11Å; C490-D494 PolarHBondContact O-N 3.27Å; C490-K546 WeakPolarHBondContact SG-CE 3.38Å; C490-K546 PolarHBondContact SG-NZ 3.19Å; C490-Q550 PolarHBondContact SG-NE2 2.77Å; C490-Q550 VanDerWaalsContact SG-NE2 3.42Å
491F86.2Confident82.5Confident63 Ų6351.3 Ų51.328%0.27624%0.244SC..Hα-helixtrans-57.1-46.1172.1-74.3-66000111.6A441 V444 I445 S487 R493 D494 I495A441-F491 HydrophobicContact CB-CD1 4.07Å; A441-F491 HydrophobicContact CB-CE1 3.92Å; A441-F491 VanDerWaalsContact O-CE1 3.29Å; A441-F491 WeakPolarHBondContact O-CE1 3.25Å; V444-F491 HydrophobicContact CB-CD1 4Å; V444-F491 HydrophobicContact CB-CE1 3.85Å; V444-F491 HydrophobicContact CB-CZ 4.22Å; V444-F491 HydrophobicContact CG1-CD1 4.01Å; V444-F491 HydrophobicContact CG1-CD2 4.02Å; V444-F491 HydrophobicContact CG1-CE1 3.91Å; V444-F491 HydrophobicContact CG1-CE2 3.9Å; V444-F491 HydrophobicContact CG1-CG 4.06Å; V444-F491 HydrophobicContact CG1-CZ 3.85Å; V444-F491 HydrophobicContact CG2-CD1 4.26Å; I445-F491 HydrophobicContact CG1-CE1 4.41Å; I445-F491 HydrophobicContact CG1-CZ 3.96Å; S487-F491 WeakPolarHBondContact O-CD2 3.3Å; S487-F491 PolarHBondContact O-N 2.97Å; F491-R493 PolarHBondContact O-N 3.12Å; F491-R493 VanDerWaalsContact O-N 3.14Å; F491-D494 PolarHBondContact O-N 2.9Å; F491-I495 HydrophobicContact CB-CD1 4.2Å; F491-I495 HydrophobicContact CD1-CD1 4.1Å; F491-I495 WeakPolarHBondContact O-CB 3.49Å; F491-I495 WeakPolarHBondContact O-CG1 3.36Å; F491-I495 PolarHBondContact O-N 3.32Å; F491-I495 VanDerWaalsContact O-N 3.13Å
492L86.2Confident82.2Confident86 Ų8643.8 Ų43.845%0.4521%0.211SC..Hα-helixtrans-61.3-22.4177.5-173.462.8000113.2R488 A489 C490 P496 A542 V563R488-L492 WeakPolarHBondContact O-CB 3.47Å; R488-L492 PolarHBondContact O-N 2.82Å; R488-L492 VanDerWaalsContact O-N 3.07Å; A489-L492 PolarHBondContact O-N 3.24Å; C490-L492 VanDerWaalsContact C-N 3.31Å; C490-L492 PolarHBondContact O-N 2.65Å; L492-P496 WeakPolarHBondContact O-CD 3.28Å; L492-P496 WeakPolarHBondContact O-CG 3.24Å; L492-A542 HydrophobicContact CB-CB 4.23Å; L492-A542 HydrophobicContact CD2-CB 4.15Å; L492-A542 HydrophobicContact CG-CB 3.84Å; L492-V563 HydrophobicContact CD2-CG1 3.89Å
493R84.5Confident82.1Confident14 Ų1444.3 Ų44.35%0.05321%0.211CC..Hα-helixtrans-91.3-51.2177.3-173.6-165.371.9-177.4-4112.1E451 A489 C490 F491 F497 A539 A542 D543 K546E451-R493 IonicContact OE1-CZ 3.93Å; E451-R493 IonicContact OE1-NH1 3.28Å; E451-R493 PolarHBondContact OE1-NH1 2.81Å; E451-R493 IonicContact OE1-NH2 3.99Å; E451-R493 PolarHBondContact OE1-NH2 2.84Å; E451-R493 IonicContact OE2-NH2 2.7Å; E451-R493 PolarHBondContact OE2-NH2 3.09Å; E451-R493 VanDerWaalsContact OE2-NH2 3.09Å; A489-R493 PolarHBondContact O-N 3.14Å; A489-R493 VanDerWaalsContact O-N 3.14Å; C490-R493 WeakPolarHBondContact O-CB 3.5Å; C490-R493 PolarHBondContact O-N 3.11Å; F491-R493 PolarHBondContact O-N 3.12Å; F491-R493 VanDerWaalsContact O-N 3.14Å; R493-F497 WeakPolarHBondContact O-CB 3.24Å; R493-F497 PolarHBondContact O-N 3.41Å; R493-A539 HydrophobicContact CG-CB 4.24Å; R493-A542 HydrophobicContact CB-CB 3.89Å; R493-A542 HydrophobicContact CG-CB 4.47Å; R493-D543 WeakPolarHBondContact CD-OD1 3.08Å; R493-D543 HydrophobicContact CG-CB 4.28Å; R493-D543 IonicContact CZ-OD1 3.76Å; R493-D543 IonicContact NE-OD1 3.98Å; R493-D543 IonicContact NH1-OD1 3.51Å; R493-D543 PolarHBondContact NH1-OD1 3.35Å; R493-K546 VanDerWaalsContact NH1-CE 3.35Å
494D83.7Confident82Confident8 Ų845.1 Ų45.14%0.04322%0.218CC..Hα-helixtrans-80.7-30.2-165.9-67.9-22.9000112.7V444 C490 F491 S498V444-D494 HydrophobicContact CG2-CB 3.67Å; V444-D494 WeakPolarHBondContact CG2-OD2 3.41Å; C490-D494 PolarHBondContact O-N 3.27Å; F491-D494 PolarHBondContact O-N 2.9Å; D494-S498 VanDerWaalsContact O-CB 3.24Å; D494-S498 WeakPolarHBondContact O-CB 3.19Å; D494-S498 PolarHBondContact O-N 3.1Å; D494-S498 PolarHBondContact O-OG 3.46Å
495I84.8Confident81.8Confident65 Ų6542.7 Ų42.733%0.33321%0.208SC..Hα-helixtrans-66.2-55.9173.6-64170.6000110.1A441 F491 F497 S498 A499A441-I495 HydrophobicContact CB-CD1 4.03Å; A441-I495 HydrophobicContact CB-CG1 4.07Å; F491-I495 HydrophobicContact CB-CD1 4.2Å; F491-I495 HydrophobicContact CD1-CD1 4.1Å; F491-I495 WeakPolarHBondContact O-CB 3.49Å; F491-I495 WeakPolarHBondContact O-CG1 3.36Å; F491-I495 PolarHBondContact O-N 3.32Å; F491-I495 VanDerWaalsContact O-N 3.13Å; I495-F497 PolarHBondContact O-N 2.94Å; I495-S498 PolarHBondContact O-N 3.4Å; I495-A499 WeakPolarHBondContact O-CB 3.26Å; I495-A499 PolarHBondContact O-N 3.1Å
496P85.4Confident81.5Confident48 Ų4838.3 Ų38.331%0.31219%0.192SC..Hα-helixtrans-64.6-39.2178.1-2538.5000112.6L492 S498 A499 I500L492-P496 WeakPolarHBondContact O-CD 3.28Å; L492-P496 WeakPolarHBondContact O-CG 3.24Å; P496-S498 VanDerWaalsContact C-N 3.33Å; P496-S498 PolarHBondContact O-N 2.92Å; P496-A499 PolarHBondContact O-N 3.48Å; P496-I500 WeakPolarHBondContact O-CB 3.5Å; P496-I500 WeakPolarHBondContact O-CD1 3.41Å; P496-I500 WeakPolarHBondContact O-CG1 3.38Å; P496-I500 PolarHBondContact O-N 3.39Å
497F85.6Confident81.6Confident22 Ų2245.5 Ų45.510%0.09622%0.215CC..Hα-helixtrans-56.8-48.5176.1178.1-91000111R493 I495 Y501 A535 A539R493-F497 WeakPolarHBondContact O-CB 3.24Å; R493-F497 PolarHBondContact O-N 3.41Å; I495-F497 PolarHBondContact O-N 2.94Å; F497-Y501 HydrophobicContact CZ-CD2 4.46Å; F497-Y501 WeakPolarHBondContact O-CB 3.5Å; F497-Y501 PolarHBondContact O-N 3.23Å; F497-A535 HydrophobicContact CD2-CB 3.76Å; F497-A535 WeakPolarHBondContact CD2-O 3.38Å; F497-A535 HydrophobicContact CE2-CB 3.71Å; F497-A535 HydrophobicContact CG-CB 4.43Å; F497-A535 HydrophobicContact CZ-CB 4.34Å; F497-A539 HydrophobicContact CB-CB 4.01Å; F497-A539 HydrophobicContact CD2-CB 4.24Å
498S79.2Confident81.6Confident1 Ų145.7 Ų45.71%0.00721%0.213CC..Hα-helixtrans-68.1-43.6-178.8-600000111.5G436 D494 I495 P496 I500 Y501 F502G436-S498 WeakPolarHBondContact O-CB 3.43Å; D494-S498 VanDerWaalsContact O-CB 3.24Å; D494-S498 WeakPolarHBondContact O-CB 3.19Å; D494-S498 PolarHBondContact O-N 3.1Å; D494-S498 PolarHBondContact O-OG 3.46Å; I495-S498 PolarHBondContact O-N 3.4Å; P496-S498 VanDerWaalsContact C-N 3.33Å; P496-S498 PolarHBondContact O-N 2.92Å; S498-I500 PolarHBondContact O-N 3.37Å; S498-Y501 PolarHBondContact O-N 3.17Å; S498-F502 WeakPolarHBondContact O-CB 3.36Å; S498-F502 WeakPolarHBondContact O-CD2 3.42Å; S498-F502 PolarHBondContact O-N 3.28Å
499A80.5Confident81Confident17 Ų1739.7 Ų39.714%0.1419%0.193CC..Hα-helixtrans-56.3-48.8176.100000112.3I433 I495 P496 T503I433-A499 HydrophobicContact CG2-CB 3.95Å; I495-A499 WeakPolarHBondContact O-CB 3.26Å; I495-A499 PolarHBondContact O-N 3.1Å; P496-A499 PolarHBondContact O-N 3.48Å; A499-T503 VanDerWaalsContact O-CB 3.31Å; A499-T503 WeakPolarHBondContact O-CB 3.39Å; A499-T503 PolarHBondContact O-N 3.07Å; A499-T503 VanDerWaalsContact O-N 3.16Å; A499-T503 PolarHBondContact O-OG1 3.44Å
500I84.3Confident80.7Confident42 Ų4247.8 Ų47.822%0.21523%0.228CC..Hα-helixtrans-67.6-48.4179.4-63.2162.2000110P496 S498 F502 T503 S504 P534 A535 L538P496-I500 WeakPolarHBondContact O-CB 3.5Å; P496-I500 WeakPolarHBondContact O-CD1 3.41Å; P496-I500 WeakPolarHBondContact O-CG1 3.38Å; P496-I500 PolarHBondContact O-N 3.39Å; S498-I500 PolarHBondContact O-N 3.37Å; I500-F502 PolarHBondContact O-N 3.13Å; I500-T503 PolarHBondContact O-N 3.07Å; I500-S504 WeakPolarHBondContact O-CB 3.33Å; I500-S504 PolarHBondContact O-N 3.32Å; I500-S504 PolarHBondContact O-OG 3.42Å; I500-P534 HydrophobicContact CG2-CB 4.3Å; I500-P534 HydrophobicContact CG2-CG 4.42Å; I500-A535 HydrophobicContact CB-CB 4.13Å; I500-A535 HydrophobicContact CG2-CB 3.9Å; I500-L538 HydrophobicContact CD1-CB 3.83Å; I500-L538 HydrophobicContact CD1-CD1 3.85Å; I500-L538 HydrophobicContact CD1-CG 4.5Å
501Y83.2Confident80.4Confident21 Ų2156.8 Ų56.88%0.08226%0.263CS..Hα-helixtrans-58.4-52.2-177.6-179.1-95.4000111.7F497 S498 T503 S504 Y505 S531 A535 F594F497-Y501 HydrophobicContact CZ-CD2 4.46Å; F497-Y501 WeakPolarHBondContact O-CB 3.5Å; F497-Y501 PolarHBondContact O-N 3.23Å; S498-Y501 PolarHBondContact O-N 3.17Å; Y501-T503 VanDerWaalsContact C-N 3.35Å; Y501-T503 PolarHBondContact O-N 2.85Å; Y501-S504 PolarHBondContact O-N 3.23Å; Y501-Y505 WeakPolarHBondContact O-CB 3.43Å; Y501-Y505 PolarHBondContact O-N 3.21Å; Y501-S531 VanDerWaalsContact CE2-OG 3.31Å; Y501-S531 WeakPolarHBondContact CE2-OG 3.2Å; Y501-A535 HydrophobicContact CD2-CB 4.48Å; Y501-F594 HydrophobicContact CD2-CE2 4.44Å; Y501-F594 HydrophobicContact CE1-CZ 4.42Å; Y501-F594 HydrophobicContact CE2-CD2 4.3Å; Y501-F594 HydrophobicContact CE2-CE1 4.49Å; Y501-F594 AromaticContact CE2-CE2 3.6Å; Y501-F594 HydrophobicContact CE2-CE2 3.6Å; Y501-F594 AromaticContact CE2-CZ 3.71Å; Y501-F594 HydrophobicContact CE2-CZ 3.71Å; Y501-F594 AromaticContact CZ-CE2 3.96Å; Y501-F594 AromaticContact CZ-CZ 3.65Å; Y501-F594 WeakPolarHBondContact OH-CE1 3.3Å
502F76.7Confident79.8Confident35 Ų3556 Ų5615%0.15426%0.26CS..Hα-helixtrans-64.1-40.5-179.1-75.1-63.3000111.7G436 S498 I500 Y505 S506G436-F502 VanDerWaalsContact CA-CD2 3.48Å; S498-F502 WeakPolarHBondContact O-CB 3.36Å; S498-F502 WeakPolarHBondContact O-CD2 3.42Å; S498-F502 PolarHBondContact O-N 3.28Å; I500-F502 PolarHBondContact O-N 3.13Å; F502-Y505 PolarHBondContact O-N 3.18Å; F502-S506 WeakPolarHBondContact O-CB 3.38Å; F502-S506 PolarHBondContact O-N 2.95Å; F502-S506 PolarHBondContact O-OG 2.99Å
503T78.4Confident79.1Confident27 Ų2753.4 Ų53.417%0.16625%0.25CS..Hα-helixtrans-64.5-47.6177.5-55.10000111.7I433 A499 I500 Y501 Y505 R507I433-T503 WeakPolarHBondContact CG1-OG1 3.29Å; A499-T503 VanDerWaalsContact O-CB 3.31Å; A499-T503 WeakPolarHBondContact O-CB 3.39Å; A499-T503 PolarHBondContact O-N 3.07Å; A499-T503 VanDerWaalsContact O-N 3.16Å; A499-T503 PolarHBondContact O-OG1 3.44Å; I500-T503 PolarHBondContact O-N 3.07Å; Y501-T503 VanDerWaalsContact C-N 3.35Å; Y501-T503 PolarHBondContact O-N 2.85Å; T503-Y505 VanDerWaalsContact C-N 3.34Å; T503-R507 WeakPolarHBondContact O-CG 3.3Å; T503-R507 PolarHBondContact O-N 3.2Å; T503-R507 VanDerWaalsContact O-N 3.16Å
504S82Confident77.9Confident30 Ų3056.8 Ų56.821%0.2127%0.27CS..Hα-helixtrans-63.9-41.1177.1-67.10000111.5I500 Y501 R507 L508I500-S504 WeakPolarHBondContact O-CB 3.33Å; I500-S504 PolarHBondContact O-N 3.32Å; I500-S504 PolarHBondContact O-OG 3.42Å; Y501-S504 PolarHBondContact O-N 3.23Å; S504-R507 PolarHBondContact O-N 2.78Å; S504-L508 WeakPolarHBondContact O-CB 3.39Å; S504-L508 WeakPolarHBondContact O-CG 3.5Å; S504-L508 PolarHBondContact O-N 3.13Å
505Y78.1Confident76.4Confident56 Ų5665.5 Ų65.522%0.2231%0.31CS..Hα-helixtrans-64.6-47.4178.4-177.1-107000111.9Y501 F502 T503 R507 L508 K509 A527 A528Y501-Y505 WeakPolarHBondContact O-CB 3.43Å; Y501-Y505 PolarHBondContact O-N 3.21Å; F502-Y505 PolarHBondContact O-N 3.18Å; T503-Y505 VanDerWaalsContact C-N 3.34Å; Y505-R507 VanDerWaalsContact C-N 3.28Å; Y505-R507 PolarHBondContact O-N 3.23Å; Y505-L508 PolarHBondContact O-N 3.5Å; Y505-K509 HydrophobicContact CE1-CD 4.27Å; Y505-K509 VanDerWaalsContact O-CB 3.23Å; Y505-K509 WeakPolarHBondContact O-CB 3.44Å; Y505-K509 PolarHBondContact O-N 3.42Å; Y505-A527 HydrophobicContact CD2-CB 4.07Å; Y505-A527 HydrophobicContact CE2-CB 3.96Å; Y505-A528 HydrophobicContact CD2-CB 4.26Å; Y505-A528 HydrophobicContact CE2-CB 3.88Å
506S72.3Confident74.5Confident22 Ų2268.9 Ų68.915%0.15433%0.329CS..Hα-helixtrans-56.5-41.7175.6-73.30000111.9E432 F502 K510E432-S506 WeakPolarHBondContact OE2-CB 3.25Å; E432-S506 PolarHBondContact OE2-OG 3.04Å; F502-S506 WeakPolarHBondContact O-CB 3.38Å; F502-S506 PolarHBondContact O-N 2.95Å; F502-S506 PolarHBondContact O-OG 2.99Å; S506-K510 WeakPolarHBondContact O-CG 3.36Å; S506-K510 PolarHBondContact O-N 2.7Å
507R76.8Confident72.8Confident166 Ų16669.1 Ų69.163%0.62634%0.34SS*.Hα-helixtrans-70.8-46.8178.6-72.6-172.9179-172.90112.8T503 S504 Y505 K509 K510 Y511T503-R507 WeakPolarHBondContact O-CG 3.3Å; T503-R507 PolarHBondContact O-N 3.2Å; T503-R507 VanDerWaalsContact O-N 3.16Å; S504-R507 PolarHBondContact O-N 2.78Å; Y505-R507 VanDerWaalsContact C-N 3.28Å; Y505-R507 PolarHBondContact O-N 3.23Å; R507-K509 VanDerWaalsContact C-N 3.32Å; R507-K509 PolarHBondContact O-N 2.84Å; R507-K510 PolarHBondContact O-N 2.95Å; R507-Y511 PolarHBondContact O-N 2.85Å
508L79.7Confident71Confident34 Ų3471.6 Ų71.618%0.17836%0.359CS..Hα-helixtrans-65.5-36.6179.7-73.9165.3000112.1S504 Y505 K510 Y511 F512 A527 I530S504-L508 WeakPolarHBondContact O-CB 3.39Å; S504-L508 WeakPolarHBondContact O-CG 3.5Å; S504-L508 PolarHBondContact O-N 3.13Å; Y505-L508 PolarHBondContact O-N 3.5Å; L508-K510 VanDerWaalsContact C-N 3.32Å; L508-K510 PolarHBondContact O-N 2.95Å; L508-Y511 PolarHBondContact O-N 2.98Å; L508-F512 HydrophobicContact CB-CE2 4.4Å; L508-F512 HydrophobicContact CD2-CE2 4.2Å; L508-F512 HydrophobicContact CD2-CZ 4.23Å; L508-F512 WeakPolarHBondContact O-CD2 3.36Å; L508-F512 WeakPolarHBondContact O-CG 3.28Å; L508-F512 PolarHBondContact O-N 3.33Å; L508-A527 HydrophobicContact CB-CB 3.71Å; L508-I530 HydrophobicContact CD1-CB 3.79Å; L508-I530 HydrophobicContact CD1-CG2 3.67Å; L508-I530 HydrophobicContact CD2-CG2 4.29Å
509K72.1Confident69.8Low77 Ų7772.9 Ų72.934%0.33537%0.366SS..Hα-helixtrans-64.3-36.3174.7-176.3176.5174-177.70112.3Y505 R507 A513 N519 L524Y505-K509 HydrophobicContact CE1-CD 4.27Å; Y505-K509 VanDerWaalsContact O-CB 3.23Å; Y505-K509 WeakPolarHBondContact O-CB 3.44Å; Y505-K509 PolarHBondContact O-N 3.42Å; R507-K509 VanDerWaalsContact C-N 3.32Å; R507-K509 PolarHBondContact O-N 2.84Å; K509-A513 PolarHBondContact O-N 2.78Å; K509-N519 WeakPolarHBondContact CG-ND2 3.28Å; K509-N519 PolarHBondContact O-ND2 3.25Å; K509-N519 PolarHBondContact O-OD1 3.01Å; K509-N519 VanDerWaalsContact O-OD1 3.14Å; K509-L524 HydrophobicContact CD-CD2 3.86Å; K509-L524 HydrophobicContact CG-CD2 3.93Å
510K72.9Confident68.9Low170 Ų17074.9 Ų74.974%0.73938%0.379SS*.Hα-helixtrans-69.9-39.4172.8-72.6178.4-179.5-174.80111.5S506 R507 L508S506-K510 WeakPolarHBondContact O-CG 3.36Å; S506-K510 PolarHBondContact O-N 2.7Å; R507-K510 PolarHBondContact O-N 2.95Å; L508-K510 VanDerWaalsContact C-N 3.32Å; L508-K510 PolarHBondContact O-N 2.95Å
511Y75.9Confident67.9Low188 Ų18875.4 Ų75.474%0.73739%0.386SS*.Hα-helixtrans-69.7-37.5-180-177-101.3000113.6R507 L508R507-Y511 PolarHBondContact O-N 2.85Å; L508-Y511 PolarHBondContact O-N 2.98Å
512F74Confident67.3Low48 Ų4879 Ų7921%0.21141%0.411CS..THydrogen-bonded Turntrans-89.85178.2-60.6-38.8000114.5L508 N519 M526 A527 I530L508-F512 HydrophobicContact CB-CE2 4.4Å; L508-F512 HydrophobicContact CD2-CE2 4.2Å; L508-F512 HydrophobicContact CD2-CZ 4.23Å; L508-F512 WeakPolarHBondContact O-CD2 3.36Å; L508-F512 WeakPolarHBondContact O-CG 3.28Å; L508-F512 PolarHBondContact O-N 3.33Å; F512-N519 VanDerWaalsContact C-OD1 3.29Å; F512-N519 PolarHBondContact O-OD1 2.89Å; F512-M526 HydrophobicContact CD1-CE 4.31Å; F512-M526 HydrophobicContact CD2-CB 4.16Å; F512-M526 HydrophobicContact CD2-CE 4.35Å; F512-M526 HydrophobicContact CE1-CE 3.76Å; F512-M526 HydrophobicContact CE2-CB 3.7Å; F512-M526 HydrophobicContact CE2-CE 3.82Å; F512-M526 HydrophobicContact CZ-CB 4.36Å; F512-M526 HydrophobicContact CZ-CE 3.5Å; F512-M526 VanDerWaalsContact CZ-CE 3.5Å; F512-A527 HydrophobicContact CD2-CB 3.99Å; F512-A527 HydrophobicContact CE2-CB 4.33Å; F512-I530 HydrophobicContact CE2-CD1 4.07Å; F512-I530 HydrophobicContact CZ-CD1 3.85Å
513A70.7Confident67.1Low30 Ų3077.9 Ų77.925%0.24841%0.407CS..  trans-66.7138.9173.400000109.6K509 N519K509-A513 PolarHBondContact O-N 2.78Å; A513-N519 PolarHBondContact N-OD1 3.18Å
514N60.7Low66.7Low85 Ų8578 Ų7846%0.45541%0.407SS..  trans-72.8176.9171.765.914.6000111.1N516 G517 C518N514-N516 PolarHBondContact O-N 2.7Å; N514-N516 PolarHBondContact OD1-N 3.02Å; N514-G517 WeakPolarHBondContact O-CA 3.36Å; N514-G517 PolarHBondContact O-N 3.49Å; N514-G517 PolarHBondContact OD1-N 2.95Å; N514-C518 PolarHBondContact N-O 3.16Å; N514-C518 WeakPolarHBondContact OD1-CA 3.39Å; N514-C518 VanDerWaalsContact OD1-CB 3.29Å; N514-C518 WeakPolarHBondContact OD1-CB 3.47Å; N514-C518 PolarHBondContact OD1-N 3.14Å; N514-C518 PolarHBondContact OD1-O 3Å
515E51.9Low66.3Low191 Ų19179.2 Ų79.289%0.89341%0.411SS*.THydrogen-bonded Turntrans-52.4-26.7-178.6-63.4175.6178.400113.6G517E515-G517 VanDerWaalsContact C-N 3.35Å
516N45.3Very low66.4Low136 Ų13681 Ų8173%0.72742%0.422SS*.THydrogen-bonded Turntrans-909.2177.8-63.3-27000113.8N514 C518N514-N516 PolarHBondContact O-N 2.7Å; N514-N516 PolarHBondContact OD1-N 3.02Å; N516-C518 PolarHBondContact O-N 2.91Å; N516-C518 VanDerWaalsContact O-N 3.17Å
517G49.6Very low66.9Low54 Ų5480 Ų8056%0.55742%0.415SS*.SBendtrans69.66-173.900000114.5N514 E515N514-G517 WeakPolarHBondContact O-CA 3.36Å; N514-G517 PolarHBondContact O-N 3.49Å; N514-G517 PolarHBondContact OD1-N 2.95Å; E515-G517 VanDerWaalsContact C-N 3.35Å
518C46.6Very low66.9Low73 Ų7372.7 Ų72.749%0.49339%0.39SS..  trans-86.7138.9-179.5-65.40000110.6N514 N516N514-C518 PolarHBondContact N-O 3.16Å; N514-C518 WeakPolarHBondContact OD1-CA 3.39Å; N514-C518 VanDerWaalsContact OD1-CB 3.29Å; N514-C518 WeakPolarHBondContact OD1-CB 3.47Å; N514-C518 PolarHBondContact OD1-N 3.14Å; N514-C518 PolarHBondContact OD1-O 3Å; N516-C518 PolarHBondContact O-N 2.91Å; N516-C518 VanDerWaalsContact O-N 3.17Å
519N53.3Low67.1Low28 Ų2873 Ų7315%0.1539%0.394CS..  trans-108.5128.5172.8-82.8-85.2000109.1K509 F512 A513 S523 L524K509-N519 WeakPolarHBondContact CG-ND2 3.28Å; K509-N519 PolarHBondContact O-ND2 3.25Å; K509-N519 PolarHBondContact O-OD1 3.01Å; K509-N519 VanDerWaalsContact O-OD1 3.14Å; F512-N519 VanDerWaalsContact C-OD1 3.29Å; F512-N519 PolarHBondContact O-OD1 2.89Å; A513-N519 PolarHBondContact N-OD1 3.18Å; N519-S523 VanDerWaalsContact CA-OG 3.31Å; N519-S523 WeakPolarHBondContact CA-OG 3.24Å; N519-S523 VanDerWaalsContact CB-OG 3.24Å; N519-S523 WeakPolarHBondContact CB-OG 3.1Å; N519-S523 PolarHBondContact OD1-OG 3.02Å; N519-L524 HydrophobicContact CB-CD2 3.59Å; N519-L524 HydrophobicContact CB-CG 3.77Å
520S63.6Low67.7Low60 Ų6073.1 Ų73.142%0.4240%0.397SS..  trans-70.5162.717263.30000110.7T522 S523 L524S520-T522 PolarHBondContact O-N 3.29Å; S520-T522 PolarHBondContact OG-OG1 2.92Å; S520-S523 PolarHBondContact N-OG 3.16Å; S520-S523 PolarHBondContact O-N 2.55Å; S520-S523 VanDerWaalsContact O-N 3.12Å; S520-S523 PolarHBondContact O-OG 3.01Å; S520-S523 VanDerWaalsContact O-OG 3.12Å; S520-S523 WeakPolarHBondContact OG-CB 3.41Å; S520-S523 PolarHBondContact OG-N 2.73Å; S520-S523 VanDerWaalsContact OG-N 3.09Å; S520-L524 WeakPolarHBondContact O-CG 3.22Å; S520-L524 PolarHBondContact O-N 3.39Å
521S62.7Low68.3Low52 Ų5265 Ų6536%0.36436%0.362SS..Hα-helixtrans-54.5-38.6172.9-66.10000111.7L525 E602S521-L525 VanDerWaalsContact O-CB 3.26Å; S521-L525 WeakPolarHBondContact O-CB 3.05Å; S521-L525 PolarHBondContact O-N 3.35Å; S521-E602 WeakPolarHBondContact CB-OE1 3.43Å; S521-E602 PolarHBondContact OG-OE1 2.84Å
522T69.6Low68.7Low97 Ų9756.1 Ų56.160%0.59533%0.327SS*.Hα-helixtrans-67-40.6177.651.60000112.5S520 L525 M526S520-T522 PolarHBondContact O-N 3.29Å; S520-T522 PolarHBondContact OG-OG1 2.92Å; T522-L525 WeakPolarHBondContact O-CB 3.25Å; T522-L525 PolarHBondContact O-N 2.76Å; T522-M526 WeakPolarHBondContact O-CG 3.3Å; T522-M526 PolarHBondContact O-N 2.94Å
523S73.5Confident69.4Low11 Ų1156.7 Ų56.78%0.07733%0.334CS..Hα-helixtrans-70.5-39.7179.383.80000111.9N519 S520 L525 M526 A527N519-S523 VanDerWaalsContact CA-OG 3.31Å; N519-S523 WeakPolarHBondContact CA-OG 3.24Å; N519-S523 VanDerWaalsContact CB-OG 3.24Å; N519-S523 WeakPolarHBondContact CB-OG 3.1Å; N519-S523 PolarHBondContact OD1-OG 3.02Å; S520-S523 PolarHBondContact N-OG 3.16Å; S520-S523 PolarHBondContact O-N 2.55Å; S520-S523 VanDerWaalsContact O-N 3.12Å; S520-S523 PolarHBondContact O-OG 3.01Å; S520-S523 VanDerWaalsContact O-OG 3.12Å; S520-S523 WeakPolarHBondContact OG-CB 3.41Å; S520-S523 PolarHBondContact OG-N 2.73Å; S520-S523 VanDerWaalsContact OG-N 3.09Å; S523-L525 VanDerWaalsContact C-N 3.3Å; S523-L525 PolarHBondContact O-N 3.39Å; S523-M526 PolarHBondContact O-N 2.96Å; S523-A527 WeakPolarHBondContact O-CB 3.37Å; S523-A527 PolarHBondContact O-N 3.2Å
524L69.9Low70.2Confident31 Ų3157.5 Ų57.516%0.16234%0.337CS..Hα-helixtrans-61.5-40.5171.9-68.7177.2000111.7K509 N519 S520 A527 A528K509-L524 HydrophobicContact CD-CD2 3.86Å; K509-L524 HydrophobicContact CG-CD2 3.93Å; N519-L524 HydrophobicContact CB-CD2 3.59Å; N519-L524 HydrophobicContact CB-CG 3.77Å; S520-L524 WeakPolarHBondContact O-CG 3.22Å; S520-L524 PolarHBondContact O-N 3.39Å; L524-A527 PolarHBondContact O-N 3.15Å; L524-A528 WeakPolarHBondContact O-CB 3.15Å; L524-A528 PolarHBondContact O-N 3.04Å
525L73.8Confident71.5Confident55 Ų5553.4 Ų53.429%0.28832%0.315SS..Hα-helixtrans-63.9-46.4177.2-176.268.6000111.3S521 T522 S523 A527 A528 T529 L598S521-L525 VanDerWaalsContact O-CB 3.26Å; S521-L525 WeakPolarHBondContact O-CB 3.05Å; S521-L525 PolarHBondContact O-N 3.35Å; T522-L525 WeakPolarHBondContact O-CB 3.25Å; T522-L525 PolarHBondContact O-N 2.76Å; S523-L525 VanDerWaalsContact C-N 3.3Å; S523-L525 PolarHBondContact O-N 3.39Å; L525-A527 PolarHBondContact O-N 3.03Å; L525-A528 PolarHBondContact O-N 3.35Å; L525-T529 VanDerWaalsContact O-CB 3.27Å; L525-T529 WeakPolarHBondContact O-CB 3.34Å; L525-T529 PolarHBondContact O-N 3.27Å; L525-T529 PolarHBondContact O-OG1 3.12Å; L525-L598 HydrophobicContact CB-CD2 4.04Å; L525-L598 HydrophobicContact CD1-CB 4.2Å; L525-L598 HydrophobicContact CD1-CD2 3.65Å; L525-L598 HydrophobicContact CG-CD2 4.37Å
526M80.2Confident73.2Confident93 Ų9344.4 Ų44.446%0.45827%0.273SS..Hα-helixtrans-59.9-45.5174.9-77.517636.300111.4F512 T522 S523 A528 T529 I530F512-M526 HydrophobicContact CD1-CE 4.31Å; F512-M526 HydrophobicContact CD2-CB 4.16Å; F512-M526 HydrophobicContact CD2-CE 4.35Å; F512-M526 HydrophobicContact CE1-CE 3.76Å; F512-M526 HydrophobicContact CE2-CB 3.7Å; F512-M526 HydrophobicContact CE2-CE 3.82Å; F512-M526 HydrophobicContact CZ-CB 4.36Å; F512-M526 HydrophobicContact CZ-CE 3.5Å; F512-M526 VanDerWaalsContact CZ-CE 3.5Å; T522-M526 WeakPolarHBondContact O-CG 3.3Å; T522-M526 PolarHBondContact O-N 2.94Å; S523-M526 PolarHBondContact O-N 2.96Å; M526-A528 VanDerWaalsContact C-N 3.35Å; M526-A528 PolarHBondContact O-N 3.4Å; M526-T529 PolarHBondContact O-N 3.22Å; M526-I530 WeakPolarHBondContact O-CB 3.39Å; M526-I530 VanDerWaalsContact O-CG1 3.27Å; M526-I530 WeakPolarHBondContact O-CG1 3.32Å; M526-I530 PolarHBondContact O-N 3.2Å
527A81.8Confident75.3Confident0 Ų042.3 Ų42.30%026%0.258CS..Hα-helixtrans-58.8-45.4176.100000111.8Y505 L508 F512 S523 L524 L525 S531Y505-A527 HydrophobicContact CD2-CB 4.07Å; Y505-A527 HydrophobicContact CE2-CB 3.96Å; L508-A527 HydrophobicContact CB-CB 3.71Å; F512-A527 HydrophobicContact CD2-CB 3.99Å; F512-A527 HydrophobicContact CE2-CB 4.33Å; S523-A527 WeakPolarHBondContact O-CB 3.37Å; S523-A527 PolarHBondContact O-N 3.2Å; L524-A527 PolarHBondContact O-N 3.15Å; L525-A527 PolarHBondContact O-N 3.03Å; A527-S531 WeakPolarHBondContact O-CB 3.49Å; A527-S531 PolarHBondContact O-N 3.33Å; A527-S531 PolarHBondContact O-OG 3.12Å
528A78.2Confident77.2Confident13 Ų1344.6 Ų44.611%0.10726%0.257CS..Hα-helixtrans-65-40.117800000112.4Y505 L524 L525 M526 S531 G532Y505-A528 HydrophobicContact CD2-CB 4.26Å; Y505-A528 HydrophobicContact CE2-CB 3.88Å; L524-A528 WeakPolarHBondContact O-CB 3.15Å; L524-A528 PolarHBondContact O-N 3.04Å; L525-A528 PolarHBondContact O-N 3.35Å; M526-A528 VanDerWaalsContact C-N 3.35Å; M526-A528 PolarHBondContact O-N 3.4Å; A528-S531 WeakPolarHBondContact CA-OG 3.38Å; A528-S531 PolarHBondContact O-OG 2.93Å; A528-G532 PolarHBondContact O-N 3.25Å
529T82.8Confident79.2Confident41 Ų4141.3 Ų41.325%0.25224%0.235SC..Hα-helixtrans-69.9-45.2-177.7-57.90000111.2L525 M526 S591L525-T529 VanDerWaalsContact O-CB 3.27Å; L525-T529 WeakPolarHBondContact O-CB 3.34Å; L525-T529 PolarHBondContact O-N 3.27Å; L525-T529 PolarHBondContact O-OG1 3.12Å; M526-T529 PolarHBondContact O-N 3.22Å; T529-S591 PolarHBondContact O-OG 2.85Å
530I85.8Confident80.9Confident79 Ų7940 Ų4041%0.40523%0.228SC..Hα-helixtrans-74.2-40.3-178.5-63.5167.9000110.8L508 F512 M526 G532 V533 P534L508-I530 HydrophobicContact CD1-CB 3.79Å; L508-I530 HydrophobicContact CD1-CG2 3.67Å; L508-I530 HydrophobicContact CD2-CG2 4.29Å; F512-I530 HydrophobicContact CE2-CD1 4.07Å; F512-I530 HydrophobicContact CZ-CD1 3.85Å; M526-I530 WeakPolarHBondContact O-CB 3.39Å; M526-I530 VanDerWaalsContact O-CG1 3.27Å; M526-I530 WeakPolarHBondContact O-CG1 3.32Å; M526-I530 PolarHBondContact O-N 3.2Å; I530-G532 PolarHBondContact O-N 3.46Å; I530-V533 WeakPolarHBondContact O-CB 3.44Å; I530-V533 PolarHBondContact O-N 2.94Å; I530-V533 VanDerWaalsContact O-N 3.08Å; I530-P534 WeakPolarHBondContact O-CD 3.36Å
531S85Confident82.1Confident1 Ų138.5 Ų38.51%0.00722%0.217CC..Hα-helixtrans-61.8-27.617654.60000113.2Y501 A527 A528 V533 P534Y501-S531 VanDerWaalsContact CE2-OG 3.31Å; Y501-S531 WeakPolarHBondContact CE2-OG 3.2Å; A527-S531 WeakPolarHBondContact O-CB 3.49Å; A527-S531 PolarHBondContact O-N 3.33Å; A527-S531 PolarHBondContact O-OG 3.12Å; A528-S531 WeakPolarHBondContact CA-OG 3.38Å; A528-S531 PolarHBondContact O-OG 2.93Å; S531-V533 VanDerWaalsContact C-N 3.3Å; S531-V533 PolarHBondContact O-N 3.34Å; S531-P534 WeakPolarHBondContact O-CD 3.47Å
532G83.7Confident83.3Confident0 Ų036.4 Ų36.40%020%0.203CC..Hα-helixtrans-63-31.4173.700000113.9A528 I530 A536A528-G532 PolarHBondContact O-N 3.25Å; I530-G532 PolarHBondContact O-N 3.46Å; G532-A536 WeakPolarHBondContact O-CB 3.33Å; G532-A536 PolarHBondContact O-N 3.01Å
533V88.8Confident84.1Confident60 Ų6031.9 Ų31.936%0.36418%0.175SC..Hα-helixtrans-64.6-59.6-173.9-179.80000112.8I530 S531 A535 A536 F537 V587I530-V533 WeakPolarHBondContact O-CB 3.44Å; I530-V533 PolarHBondContact O-N 2.94Å; I530-V533 VanDerWaalsContact O-N 3.08Å; S531-V533 VanDerWaalsContact C-N 3.3Å; S531-V533 PolarHBondContact O-N 3.34Å; V533-A535 VanDerWaalsContact C-N 3.32Å; V533-A535 PolarHBondContact O-N 3.42Å; V533-A536 PolarHBondContact O-N 3.46Å; V533-F537 WeakPolarHBondContact O-CB 3.34Å; V533-F537 PolarHBondContact O-N 3.48Å; V533-V587 HydrophobicContact CB-CG1 4.36Å; V533-V587 HydrophobicContact CG1-CG1 3.94Å; V533-V587 HydrophobicContact CG2-CG1 4.07Å
534P88.4Confident84.7Confident47 Ų4731.3 Ų31.331%0.30517%0.171SC..Hα-helixtrans-65.3-37.6-179.526.6-34.3000111.5I500 I530 S531 F537 L538I500-P534 HydrophobicContact CG2-CB 4.3Å; I500-P534 HydrophobicContact CG2-CG 4.42Å; I530-P534 WeakPolarHBondContact O-CD 3.36Å; S531-P534 WeakPolarHBondContact O-CD 3.47Å; P534-F537 PolarHBondContact O-N 2.93Å; P534-L538 WeakPolarHBondContact O-CB 3.48Å; P534-L538 WeakPolarHBondContact O-CG 3.22Å; P534-L538 PolarHBondContact O-N 3.35Å
535A87.4Confident85.6Confident0 Ų030.4 Ų30.40%017%0.166CC..Hα-helixtrans-61.7-46.2177.300000111.5F497 I500 Y501 V533 A539F497-A535 HydrophobicContact CD2-CB 3.76Å; F497-A535 WeakPolarHBondContact CD2-O 3.38Å; F497-A535 HydrophobicContact CE2-CB 3.71Å; F497-A535 HydrophobicContact CG-CB 4.43Å; F497-A535 HydrophobicContact CZ-CB 4.34Å; I500-A535 HydrophobicContact CB-CB 4.13Å; I500-A535 HydrophobicContact CG2-CB 3.9Å; Y501-A535 HydrophobicContact CD2-CB 4.48Å; V533-A535 VanDerWaalsContact C-N 3.32Å; V533-A535 PolarHBondContact O-N 3.42Å; A535-A539 WeakPolarHBondContact O-CB 3.3Å; A535-A539 PolarHBondContact O-N 3.29Å
536A86.9Confident86.2Confident1 Ų127.8 Ų27.81%0.00815%0.152CC..Hα-helixtrans-63.2-49177.300000111.6G532 V533 T540 R586 V587 S590G532-A536 WeakPolarHBondContact O-CB 3.33Å; G532-A536 PolarHBondContact O-N 3.01Å; V533-A536 PolarHBondContact O-N 3.46Å; A536-T540 PolarHBondContact O-N 2.93Å; A536-T540 PolarHBondContact O-OG1 3.23Å; A536-R586 HydrophobicContact CB-CG 4.1Å; A536-R586 VanDerWaalsContact O-CD 3.3Å; A536-R586 WeakPolarHBondContact O-CD 3.41Å; A536-R586 PolarHBondContact O-NE 3.33Å; A536-V587 HydrophobicContact CB-CG2 4.05Å; A536-S590 WeakPolarHBondContact CB-OG 3.32Å
537F89.5Confident86.3Confident92 Ų9223.4 Ų23.440%0.40413%0.131SC..Hα-helixtrans-61.4-52.5-177.2-175.9-99.6000111.9V533 P534 A539 T540 W580 V587V533-F537 WeakPolarHBondContact O-CB 3.34Å; V533-F537 PolarHBondContact O-N 3.48Å; P534-F537 PolarHBondContact O-N 2.93Å; F537-A539 VanDerWaalsContact C-N 3.32Å; F537-A539 PolarHBondContact O-N 3.23Å; F537-T540 VanDerWaalsContact O-CB 3.28Å; F537-T540 WeakPolarHBondContact O-CB 3.4Å; F537-T540 PolarHBondContact O-N 3.4Å; F537-T540 VanDerWaalsContact O-N 3.12Å; F537-T540 PolarHBondContact O-OG1 3.49Å; F537-W580 AromaticContact CE1-NE1 3.54Å; F537-W580 AromaticContact CE2-CD1 3.56Å; F537-W580 AromaticContact CE2-NE1 3.87Å; F537-W580 AromaticContact CZ-CD1 3.56Å; F537-W580 AromaticContact CZ-NE1 3.42Å; F537-V587 HydrophobicContact CB-CG2 4.36Å
538L89.3Confident86.4Confident103 Ų10323.5 Ų23.554%0.53913%0.131SC..Hα-helixtrans-70.5-25.6-175.9-66.7173.9000113.5I500 P534 T540 P541I500-L538 HydrophobicContact CD1-CB 3.83Å; I500-L538 HydrophobicContact CD1-CD1 3.85Å; I500-L538 HydrophobicContact CD1-CG 4.5Å; P534-L538 WeakPolarHBondContact O-CB 3.48Å; P534-L538 WeakPolarHBondContact O-CG 3.22Å; P534-L538 PolarHBondContact O-N 3.35Å; L538-T540 VanDerWaalsContact C-N 3.32Å; L538-P541 WeakPolarHBondContact O-CD 3.36Å
539A88.3Confident86.5Confident3 Ų323.5 Ų23.53%0.02513%0.129CC..THydrogen-bonded Turntrans-83.6-4.4174.200000113.7R493 F497 A535 F537 A542 D543R493-A539 HydrophobicContact CG-CB 4.24Å; F497-A539 HydrophobicContact CB-CB 4.01Å; F497-A539 HydrophobicContact CD2-CB 4.24Å; A535-A539 WeakPolarHBondContact O-CB 3.3Å; A535-A539 PolarHBondContact O-N 3.29Å; F537-A539 VanDerWaalsContact C-N 3.32Å; F537-A539 PolarHBondContact O-N 3.23Å; A539-A542 PolarHBondContact O-N 3.19Å; A539-D543 PolarHBondContact O-N 3.22Å
540T88.9Confident86.3Confident0 Ų021.6 Ų21.60%012%0.118CC..Hα-helixtrans-61.2-43.8-177-50.70000113.5A536 F537 L538 A542 D543 V544 F579A536-T540 PolarHBondContact O-N 2.93Å; A536-T540 PolarHBondContact O-OG1 3.23Å; F537-T540 VanDerWaalsContact O-CB 3.28Å; F537-T540 WeakPolarHBondContact O-CB 3.4Å; F537-T540 PolarHBondContact O-N 3.4Å; F537-T540 VanDerWaalsContact O-N 3.12Å; F537-T540 PolarHBondContact O-OG1 3.49Å; L538-T540 VanDerWaalsContact C-N 3.32Å; T540-A542 VanDerWaalsContact C-N 3.32Å; T540-A542 PolarHBondContact O-N 2.87Å; T540-D543 WeakPolarHBondContact O-CA 3.17Å; T540-D543 VanDerWaalsContact O-CB 3.31Å; T540-D543 WeakPolarHBondContact O-CB 3.48Å; T540-D543 PolarHBondContact O-N 2.98Å; T540-V544 HydrophobicContact CG2-CG2 4.3Å; T540-V544 PolarHBondContact O-N 2.85Å; T540-F579 CarbonylContact C-O 3.14Å
541P89.9Confident85.9Confident29 Ų2918.6 Ų18.619%0.18810%0.103CC..Hα-helixtrans-55.1-44.9178.9-29.838.2000113.6L538 D543 V544 I545 F579 W580L538-P541 WeakPolarHBondContact O-CD 3.36Å; P541-D543 VanDerWaalsContact C-N 3.28Å; P541-D543 PolarHBondContact O-N 3.44Å; P541-V544 PolarHBondContact O-N 3.05Å; P541-I545 WeakPolarHBondContact O-CG1 3.48Å; P541-I545 PolarHBondContact O-N 2.65Å; P541-F579 VanDerWaalsContact CA-O 3.31Å; P541-F579 WeakPolarHBondContact CA-O 3.31Å; P541-F579 HydrophobicContact CB-CB 3.93Å; P541-F579 HydrophobicContact CB-CD1 4.05Å; P541-F579 HydrophobicContact CB-CG 4.36Å; P541-F579 HydrophobicContact CG-CB 4.16Å; P541-W580 HydrophobicContact CG-CD2 4.37Å; P541-W580 HydrophobicContact CG-CH2 4.32Å; P541-W580 HydrophobicContact CG-CZ2 3.96Å
542A88.6Confident84.9Confident9 Ų922.9 Ų22.97%0.07413%0.129CC..Hα-helixtrans-64.2-35.5176.700000112L492 R493 A539 T540 I545 K546L492-A542 HydrophobicContact CB-CB 4.23Å; L492-A542 HydrophobicContact CD2-CB 4.15Å; L492-A542 HydrophobicContact CG-CB 3.84Å; R493-A542 HydrophobicContact CB-CB 3.89Å; R493-A542 HydrophobicContact CG-CB 4.47Å; A539-A542 PolarHBondContact O-N 3.19Å; T540-A542 VanDerWaalsContact C-N 3.32Å; T540-A542 PolarHBondContact O-N 2.87Å; A542-I545 PolarHBondContact O-N 3Å; A542-K546 VanDerWaalsContact O-CB 3.27Å; A542-K546 WeakPolarHBondContact O-CB 3.5Å; A542-K546 PolarHBondContact O-N 2.95Å
543D85.2Confident83.8Confident1 Ų124.1 Ų24.11%0.00514%0.139CC..Hα-helixtrans-70.7-36.5178.7-157.147.3000112.6K354 Q358 R493 A539 T540 P541 K546 T547 R586K354-D543 WeakPolarHBondContact CE-OD2 3.46Å; K354-D543 IonicContact NZ-OD1 3.15Å; K354-D543 IonicContact NZ-OD2 2.61Å; K354-D543 PolarHBondContact NZ-OD2 2.89Å; Q358-D543 PolarHBondContact NE2-OD2 3.5Å; Q358-D543 PolarHBondContact OE1-OD2 2.97Å; R493-D543 WeakPolarHBondContact CD-OD1 3.08Å; R493-D543 HydrophobicContact CG-CB 4.28Å; R493-D543 IonicContact CZ-OD1 3.76Å; R493-D543 IonicContact NE-OD1 3.98Å; R493-D543 IonicContact NH1-OD1 3.51Å; R493-D543 PolarHBondContact NH1-OD1 3.35Å; A539-D543 PolarHBondContact O-N 3.22Å; T540-D543 WeakPolarHBondContact O-CA 3.17Å; T540-D543 VanDerWaalsContact O-CB 3.31Å; T540-D543 WeakPolarHBondContact O-CB 3.48Å; T540-D543 PolarHBondContact O-N 2.98Å; P541-D543 VanDerWaalsContact C-N 3.28Å; P541-D543 PolarHBondContact O-N 3.44Å; D543-K546 PolarHBondContact O-N 3.07Å; D543-T547 WeakPolarHBondContact O-CB 3.4Å; D543-T547 WeakPolarHBondContact O-CG2 3.37Å; D543-T547 PolarHBondContact O-N 3.41Å; D543-T547 PolarHBondContact O-OG1 3.37Å; D543-R586 IonicContact OD1-NH1 2.8Å; D543-R586 PolarHBondContact OD1-NH1 3.19Å; D543-R586 IonicContact OD2-CZ 3.52Å; D543-R586 IonicContact OD2-NH1 3.25Å; D543-R586 PolarHBondContact OD2-NH1 3.48Å
544V87.3Confident82.5Confident0 Ų025.4 Ų25.40%014%0.137CC..Hα-helixtrans-63.9-44.8172.11750000110.7Q358 T540 P541 K546 T547 R548 I570 F579Q358-V544 HydrophobicContact CG-CG2 4.11Å; T540-V544 HydrophobicContact CG2-CG2 4.3Å; T540-V544 PolarHBondContact O-N 2.85Å; P541-V544 PolarHBondContact O-N 3.05Å; V544-K546 VanDerWaalsContact C-N 3.34Å; V544-K546 PolarHBondContact O-N 3.49Å; V544-T547 WeakPolarHBondContact CA-OG1 3.48Å; V544-T547 PolarHBondContact O-OG1 2.71Å; V544-R548 WeakPolarHBondContact O-CB 3.48Å; V544-R548 WeakPolarHBondContact O-CG 3.43Å; V544-R548 PolarHBondContact O-N 2.82Å; V544-R548 VanDerWaalsContact O-N 3.14Å; V544-I570 HydrophobicContact CG1-CD1 4.45Å; V544-F579 WeakPolarHBondContact CG2-O 3.43Å
545I88.5Confident80.9Confident11 Ų1130.3 Ų30.36%0.05617%0.167CC..Hα-helixtrans-61.6-45.7176.5-65.1163.4000110.5A489 P541 A542 R548 L549 V563 A566 A567 I570 F579A489-I545 HydrophobicContact CB-CG2 4.35Å; P541-I545 WeakPolarHBondContact O-CG1 3.48Å; P541-I545 PolarHBondContact O-N 2.65Å; A542-I545 PolarHBondContact O-N 3Å; I545-R548 PolarHBondContact O-N 2.62Å; I545-L549 HydrophobicContact CG2-CD1 3.6Å; I545-L549 HydrophobicContact CG2-CG 4.41Å; I545-L549 WeakPolarHBondContact O-CB 3.45Å; I545-L549 WeakPolarHBondContact O-CG 3.25Å; I545-L549 PolarHBondContact O-N 3.42Å; I545-V563 HydrophobicContact CD1-CG1 4.41Å; I545-V563 HydrophobicContact CG2-CB 4.35Å; I545-V563 HydrophobicContact CG2-CG1 3.9Å; I545-A566 HydrophobicContact CG2-CB 3.8Å; I545-A567 HydrophobicContact CD1-CB 4.06Å; I545-I570 HydrophobicContact CG1-CD1 4.02Å; I545-F579 HydrophobicContact CD1-CD1 4.43Å; I545-F579 HydrophobicContact CD1-CE1 3.93Å; I545-F579 HydrophobicContact CG1-CD1 4.36Å; I545-F579 HydrophobicContact CG1-CE1 3.89Å
546K86.1Confident79.6Confident0 Ų034 Ų340%020%0.204CC..Hα-helixtrans-57-55.4177.6171.4-171.4179.3135.80112.1E451 A489 C490 R493 A542 D543 V544 R548 L549 Q550E451-K546 WeakPolarHBondContact OE1-CE 3.32Å; E451-K546 IonicContact OE1-NZ 2.92Å; E451-K546 PolarHBondContact OE1-NZ 3.35Å; E451-K546 IonicContact OE2-NZ 3.23Å; E451-K546 PolarHBondContact OE2-NZ 3.36Å; A489-K546 HydrophobicContact CB-CB 3.73Å; A489-K546 HydrophobicContact CB-CG 4.42Å; C490-K546 WeakPolarHBondContact SG-CE 3.38Å; C490-K546 PolarHBondContact SG-NZ 3.19Å; R493-K546 VanDerWaalsContact NH1-CE 3.35Å; A542-K546 VanDerWaalsContact O-CB 3.27Å; A542-K546 WeakPolarHBondContact O-CB 3.5Å; A542-K546 PolarHBondContact O-N 2.95Å; D543-K546 PolarHBondContact O-N 3.07Å; V544-K546 VanDerWaalsContact C-N 3.34Å; V544-K546 PolarHBondContact O-N 3.49Å; K546-R548 VanDerWaalsContact C-N 3.29Å; K546-R548 PolarHBondContact O-N 3.47Å; K546-L549 PolarHBondContact O-N 3.23Å; K546-L549 VanDerWaalsContact O-N 3.14Å; K546-Q550 HydrophobicContact CG-CG 4.49Å; K546-Q550 VanDerWaalsContact CG-OE1 3.31Å; K546-Q550 WeakPolarHBondContact O-CB 3.43Å; K546-Q550 WeakPolarHBondContact O-CG 3.49Å; K546-Q550 PolarHBondContact O-N 3.34Å
547T81.6Confident78.6Confident1 Ų135.4 Ų35.41%0.00621%0.211CC..Hα-helixtrans-58.2-43.6-17745.50000110.9Q358 I455 D543 V544 L549 Q550 V551Q358-T547 HydrophobicContact CB-CG2 4.2Å; Q358-T547 WeakPolarHBondContact CB-OG1 3.45Å; I455-T547 HydrophobicContact CD1-CG2 4.47Å; D543-T547 WeakPolarHBondContact O-CB 3.4Å; D543-T547 WeakPolarHBondContact O-CG2 3.37Å; D543-T547 PolarHBondContact O-N 3.41Å; D543-T547 PolarHBondContact O-OG1 3.37Å; V544-T547 WeakPolarHBondContact CA-OG1 3.48Å; V544-T547 PolarHBondContact O-OG1 2.71Å; T547-L549 PolarHBondContact O-N 3.19Å; T547-Q550 PolarHBondContact O-N 2.73Å; T547-V551 WeakPolarHBondContact O-CB 3.42Å; T547-V551 WeakPolarHBondContact O-CG2 3.43Å; T547-V551 PolarHBondContact O-N 3.45Å
548R83.4Confident77.6Confident2 Ų232.9 Ų32.91%0.00820%0.203CC..Hα-helixtrans-66.2-34176.8-72.5179.8-178.9-140.53.1114.6Q358 Q360 R361 V544 I545 K546 Y560 E574Q358-R548 PolarHBondContact O-NE 3.06Å; Q360-R548 PolarHBondContact O-NH2 3.01Å; R361-R548 PolarHBondContact NH2-O 3.32Å; V544-R548 WeakPolarHBondContact O-CB 3.48Å; V544-R548 WeakPolarHBondContact O-CG 3.43Å; V544-R548 PolarHBondContact O-N 2.82Å; V544-R548 VanDerWaalsContact O-N 3.14Å; I545-R548 PolarHBondContact O-N 2.62Å; K546-R548 VanDerWaalsContact C-N 3.29Å; K546-R548 PolarHBondContact O-N 3.47Å; R548-Y560 HydrophobicContact CB-CD2 4.05Å; R548-Y560 HydrophobicContact CB-CE2 3.71Å; R548-Y560 HydrophobicContact CG-CE2 4.35Å; R548-Y560 PolarHBondContact NH1-OH 3.48Å; R548-E574 IonicContact CZ-OE1 2.83Å; R548-E574 VanDerWaalsContact CZ-OE1 3.23Å; R548-E574 IonicContact CZ-OE2 3.78Å; R548-E574 VanDerWaalsContact NH1-CD 3.33Å; R548-E574 IonicContact NH1-OE1 3.38Å; R548-E574 PolarHBondContact NH1-OE1 2.77Å; R548-E574 IonicContact NH1-OE2 2.86Å; R548-E574 IonicContact NH2-OE1 2.77Å; R548-E574 PolarHBondContact NH2-OE1 3.16Å; R548-E574 IonicContact NH2-OE2 3.91Å; R548-E574 PolarHBondContact NH2-OE2 2.95Å
549L82.2Confident76.9Confident13 Ų1332.7 Ų32.77%0.06821%0.206CC..Hα-helixtrans-74.4-33.4176.6-82.1165.7000113.2A489 I545 K546 T547 V563 A566A489-L549 HydrophobicContact CB-CD1 4.08Å; I545-L549 HydrophobicContact CG2-CD1 3.6Å; I545-L549 HydrophobicContact CG2-CG 4.41Å; I545-L549 WeakPolarHBondContact O-CB 3.45Å; I545-L549 WeakPolarHBondContact O-CG 3.25Å; I545-L549 PolarHBondContact O-N 3.42Å; K546-L549 PolarHBondContact O-N 3.23Å; K546-L549 VanDerWaalsContact O-N 3.14Å; T547-L549 PolarHBondContact O-N 3.19Å; L549-V563 HydrophobicContact CD1-CG2 4.01Å; L549-A566 HydrophobicContact CD1-CB 4.33Å; L549-A566 HydrophobicContact CD2-CB 4.41Å; L549-A566 HydrophobicContact CG-CB 4.17Å
550Q78.1Confident76.5Confident2 Ų233.3 Ų33.31%0.00921%0.208CC..Hα-helixtrans-87.4-22-175.6-71.3-175.5-32.400113N448 I452 I455 K485 C490 K546 T547N448-Q550 PolarHBondContact OD1-NE2 2.7Å; I452-Q550 HydrophobicContact CD1-CB 4.49Å; I452-Q550 HydrophobicContact CD1-CG 4.38Å; I452-Q550 HydrophobicContact CG1-CB 4.2Å; I452-Q550 HydrophobicContact CG1-CG 4.4Å; I455-Q550 HydrophobicContact CD1-CB 4.5Å; K485-Q550 PolarHBondContact O-NE2 3.31Å; C490-Q550 PolarHBondContact SG-NE2 2.77Å; C490-Q550 VanDerWaalsContact SG-NE2 3.42Å; K546-Q550 HydrophobicContact CG-CG 4.49Å; K546-Q550 VanDerWaalsContact CG-OE1 3.31Å; K546-Q550 WeakPolarHBondContact O-CB 3.43Å; K546-Q550 WeakPolarHBondContact O-CG 3.49Å; K546-Q550 PolarHBondContact O-N 3.34Å; T547-Q550 PolarHBondContact O-N 2.73Å
551V75.9Confident76Confident15 Ų1539.3 Ų39.39%0.09125%0.245CC..SBendtrans-83.5134.5171.6176.50000110.6N359 I455 V459 T547 A553N359-V551 WeakPolarHBondContact OD1-CB 3.37Å; N359-V551 VanDerWaalsContact OD1-CG1 3.31Å; N359-V551 WeakPolarHBondContact OD1-CG1 3.38Å; I455-V551 HydrophobicContact CG2-CG2 3.47Å; I455-V551 VanDerWaalsContact CG2-CG2 3.47Å; V459-V551 HydrophobicContact CB-CG2 4.37Å; V459-V551 HydrophobicContact CG1-CG1 3.89Å; V459-V551 HydrophobicContact CG1-CG2 4.45Å; V459-V551 HydrophobicContact CG2-CG2 3.79Å; T547-V551 WeakPolarHBondContact O-CB 3.42Å; T547-V551 WeakPolarHBondContact O-CG2 3.43Å; T547-V551 PolarHBondContact O-N 3.45Å; V551-A553 PolarHBondContact O-N 3.24Å
552V65.1Low75.7Confident91 Ų9139.1 Ų39.155%0.55225%0.248SC*.PPolyproline II helixtrans-64.4124.2172-178.90000108.7R554V552-R554 PolarHBondContact O-N 3.24Å
553A60.9Low75.6Confident26 Ų2640.2 Ų40.222%0.21525%0.253CS..PPolyproline II helixtrans-62.8132.9174.200000109.5V551 Q557 T559V551-A553 PolarHBondContact O-N 3.24Å; A553-Q557 HydrophobicContact CB-CB 4.22Å; A553-T559 HydrophobicContact CB-CG2 3.84Å
554R61.6Low75.8Confident88 Ų8846 Ų4633%0.33228%0.283SS..PPolyproline II helixtrans-68.1161.6172.8-57.5-179-172.4-175.53.7110.1E462 V552 G556 Q557E462-R554 PolarHBondContact O-NH2 3.23Å; E462-R554 IonicContact OE2-CZ 3.65Å; E462-R554 IonicContact OE2-NH2 2.75Å; E462-R554 PolarHBondContact OE2-NH2 3.02Å; V552-R554 PolarHBondContact O-N 3.24Å; R554-G556 PolarHBondContact O-N 3.28Å; R554-Q557 HydrophobicContact CB-CG 4Å; R554-Q557 WeakPolarHBondContact O-CB 3.4Å; R554-Q557 PolarHBondContact O-N 3.41Å
555T54.6Low75.8Confident150 Ų15047.9 Ų47.992%0.9229%0.293SS*.THydrogen-bonded Turntrans-53.9123.4169.345.50000110
556G58.8Low75.7Confident76 Ų7647.4 Ų47.478%0.78429%0.291SS*.THydrogen-bonded Turntrans90.4-10.6-175.700000115.4R554R554-G556 PolarHBondContact O-N 3.28Å
557Q67Low75.8Confident32 Ų3248.8 Ų48.815%0.1530%0.302CS..SBendtrans-88.6151.9174.8-67.7-176.9-23.200111.7A553 R554 T559A553-Q557 HydrophobicContact CB-CB 4.22Å; R554-Q557 HydrophobicContact CB-CG 4Å; R554-Q557 WeakPolarHBondContact O-CB 3.4Å; R554-Q557 PolarHBondContact O-N 3.41Å; Q557-T559 PolarHBondContact O-N 3.3Å
558T68.1Low76.2Confident39 Ų3954.9 Ų54.924%0.23933%0.329CS..PPolyproline II helixtrans-68.6126.1-179.351.70000111.6R361 Y560 E573R361-T558 PolarHBondContact NH1-O 3.24Å; T558-Y560 PolarHBondContact OG1-OH 2.99Å; T558-E573 WeakPolarHBondContact CG2-OE1 3.45Å; T558-E573 WeakPolarHBondContact CG2-OE2 3.45Å; T558-E573 PolarHBondContact OG1-OE2 2.84Å
559T74.7Confident76.5Confident98 Ų9857.3 Ų57.360%0.60134%0.339SS*.PPolyproline II helixtrans-84.4146174.852.90000109.6A553 Q557 K569A553-T559 HydrophobicContact CB-CG2 3.84Å; Q557-T559 PolarHBondContact O-N 3.3Å; T559-K569 PolarHBondContact O-NZ 3.01Å
560Y79.6Confident76.7Confident17 Ų1756.7 Ų56.77%0.06734%0.336CS..  trans-117.4128.7-178.7-55.4-64.3000109.7R548 T558 D565 A566 K569R548-Y560 HydrophobicContact CB-CD2 4.05Å; R548-Y560 HydrophobicContact CB-CE2 3.71Å; R548-Y560 HydrophobicContact CG-CE2 4.35Å; R548-Y560 PolarHBondContact NH1-OH 3.48Å; T558-Y560 PolarHBondContact OG1-OH 2.99Å; Y560-D565 WeakPolarHBondContact CA-OD2 3.3Å; Y560-A566 VanDerWaalsContact CD1-CA 3.5Å; Y560-A566 HydrophobicContact CD1-CB 3.87Å; Y560-A566 HydrophobicContact CG-CB 3.93Å; Y560-K569 HydrophobicContact CD1-CB 4.19Å; Y560-K569 HydrophobicContact CD1-CD 3.76Å; Y560-K569 HydrophobicContact CE1-CB 3.68Å; Y560-K569 HydrophobicContact CE1-CD 3.9Å; Y560-K569 HydrophobicContact CE1-CG 4.46Å
561T79.4Confident77.1Confident126 Ų12664.5 Ų64.577%0.77337%0.365SS*.SBendtrans-89-23.7179.758.30000112.3D565T561-D565 PolarHBondContact N-OD2 3.35Å; T561-D565 WeakPolarHBondContact OG1-CB 3.38Å; T561-D565 PolarHBondContact OG1-OD2 2.9Å
562G84Confident77.6Confident25 Ų2574 Ų7426%0.25840%0.4SS..SBendtrans-172.6-176.8179.400000113.5I564 D565 A566G562-I564 PolarHBondContact O-N 3.46Å; G562-D565 PolarHBondContact O-N 3.03Å; G562-A566 VanDerWaalsContact O-CB 3.28Å; G562-A566 WeakPolarHBondContact O-CB 3.4Å; G562-A566 PolarHBondContact O-N 3.17Å
563V85.9Confident78.5Confident31 Ų3172.6 Ų72.619%0.18839%0.387CS..Hα-helixtrans-60.4-46.7-175.2-177.80000112.3R488 A489 L492 I545 L549 A566 A567R488-V563 HydrophobicContact CB-CG2 3.86Å; A489-V563 HydrophobicContact CB-CG2 3.99Å; L492-V563 HydrophobicContact CD2-CG1 3.89Å; I545-V563 HydrophobicContact CD1-CG1 4.41Å; I545-V563 HydrophobicContact CG2-CB 4.35Å; I545-V563 HydrophobicContact CG2-CG1 3.9Å; L549-V563 HydrophobicContact CD1-CG2 4.01Å; V563-A566 PolarHBondContact O-N 3.4Å; V563-A567 WeakPolarHBondContact O-CB 3.17Å; V563-A567 PolarHBondContact O-N 3.17Å
564I88.3Confident79.4Confident123 Ų12372.9 Ų72.963%0.63138%0.384SS*.Hα-helixtrans-69.5-41.6-178.5-60.3173.3000110.7G562 A567 K568G562-I564 PolarHBondContact O-N 3.46Å; I564-A567 PolarHBondContact O-N 3.38Å; I564-K568 HydrophobicContact CG2-CD 4.16Å; I564-K568 HydrophobicContact CG2-CG 4.45Å; I564-K568 WeakPolarHBondContact O-CB 3.47Å; I564-K568 WeakPolarHBondContact O-CG 3.34Å; I564-K568 PolarHBondContact O-N 3.11Å
565D88Confident80.6Confident40 Ų4070 Ų7021%0.21438%0.382CS..Hα-helixtrans-62.1-46.2175.8179.155.4000111Y560 T561 G562 A567 K568 K569Y560-D565 WeakPolarHBondContact CA-OD2 3.3Å; T561-D565 PolarHBondContact N-OD2 3.35Å; T561-D565 WeakPolarHBondContact OG1-CB 3.38Å; T561-D565 PolarHBondContact OG1-OD2 2.9Å; G562-D565 PolarHBondContact O-N 3.03Å; D565-A567 PolarHBondContact O-N 3.11Å; D565-K568 PolarHBondContact O-N 3.33Å; D565-K569 VanDerWaalsContact CG-NZ 3.33Å; D565-K569 WeakPolarHBondContact O-CB 3.48Å; D565-K569 WeakPolarHBondContact O-CG 3.48Å; D565-K569 PolarHBondContact O-N 3.05Å; D565-K569 WeakPolarHBondContact OD1-CE 3.41Å; D565-K569 IonicContact OD1-NZ 3.12Å; D565-K569 PolarHBondContact OD1-NZ 3.21Å; D565-K569 VanDerWaalsContact OD1-NZ 3.12Å; D565-K569 IonicContact OD2-NZ 2.77Å; D565-K569 PolarHBondContact OD2-NZ 2.79Å
566A86.9Confident82.1Confident0 Ų063.9 Ų63.90%035%0.349CS..Hα-helixtrans-58-49.6173.500000111.6I545 L549 Y560 G562 V563 K568 K569 I570I545-A566 HydrophobicContact CG2-CB 3.8Å; L549-A566 HydrophobicContact CD1-CB 4.33Å; L549-A566 HydrophobicContact CD2-CB 4.41Å; L549-A566 HydrophobicContact CG-CB 4.17Å; Y560-A566 VanDerWaalsContact CD1-CA 3.5Å; Y560-A566 HydrophobicContact CD1-CB 3.87Å; Y560-A566 HydrophobicContact CG-CB 3.93Å; G562-A566 VanDerWaalsContact O-CB 3.28Å; G562-A566 WeakPolarHBondContact O-CB 3.4Å; G562-A566 PolarHBondContact O-N 3.17Å; V563-A566 PolarHBondContact O-N 3.4Å; A566-K568 PolarHBondContact O-N 3.33Å; A566-K569 PolarHBondContact O-N 2.9Å; A566-I570 HydrophobicContact CB-CD1 4.37Å; A566-I570 VanDerWaalsContact O-CB 3.31Å; A566-I570 WeakPolarHBondContact O-CB 3.45Å; A566-I570 VanDerWaalsContact O-CD1 3.26Å; A566-I570 WeakPolarHBondContact O-CD1 3.43Å; A566-I570 WeakPolarHBondContact O-CG1 3.14Å; A566-I570 PolarHBondContact O-N 3.06Å
567A88.3Confident83.4Confident29 Ų2971.4 Ų71.424%0.2435%0.353CS..Hα-helixtrans-59.5-45.7178.900000112.2I545 V563 I564 D565 W571 F579I545-A567 HydrophobicContact CD1-CB 4.06Å; V563-A567 WeakPolarHBondContact O-CB 3.17Å; V563-A567 PolarHBondContact O-N 3.17Å; I564-A567 PolarHBondContact O-N 3.38Å; D565-A567 PolarHBondContact O-N 3.11Å; A567-W571 VanDerWaalsContact O-CB 3.31Å; A567-W571 WeakPolarHBondContact O-CB 3.5Å; A567-W571 PolarHBondContact O-N 3.22Å; A567-F579 HydrophobicContact CB-CE1 4.37Å; A567-F579 HydrophobicContact CB-CZ 4.31Å; A567-F579 WeakPolarHBondContact O-CZ 3.46Å
568K90.3Very high84.3Confident129 Ų12969.9 Ų69.956%0.56135%0.346SS*.Hα-helixtrans-63.2-45.3178.5-75.2179.8178.9-177.90112.1I564 D565 A566 W571 R572I564-K568 HydrophobicContact CG2-CD 4.16Å; I564-K568 HydrophobicContact CG2-CG 4.45Å; I564-K568 WeakPolarHBondContact O-CB 3.47Å; I564-K568 WeakPolarHBondContact O-CG 3.34Å; I564-K568 PolarHBondContact O-N 3.11Å; D565-K568 PolarHBondContact O-N 3.33Å; A566-K568 PolarHBondContact O-N 3.33Å; K568-W571 PolarHBondContact O-N 2.91Å; K568-R572 WeakPolarHBondContact O-CB 3.49Å; K568-R572 WeakPolarHBondContact O-CG 3.25Å; K568-R572 PolarHBondContact O-N 3.18Å
569K88.4Confident85.3Confident54 Ų5469 Ų6924%0.23534%0.339CS..Hα-helixtrans-67.8-43.7179.3-76.4171.5174.81640112.1T559 Y560 D565 A566 W571 R572 E573T559-K569 PolarHBondContact O-NZ 3.01Å; Y560-K569 HydrophobicContact CD1-CB 4.19Å; Y560-K569 HydrophobicContact CD1-CD 3.76Å; Y560-K569 HydrophobicContact CE1-CB 3.68Å; Y560-K569 HydrophobicContact CE1-CD 3.9Å; Y560-K569 HydrophobicContact CE1-CG 4.46Å; D565-K569 VanDerWaalsContact CG-NZ 3.33Å; D565-K569 WeakPolarHBondContact O-CB 3.48Å; D565-K569 WeakPolarHBondContact O-CG 3.48Å; D565-K569 PolarHBondContact O-N 3.05Å; D565-K569 WeakPolarHBondContact OD1-CE 3.41Å; D565-K569 IonicContact OD1-NZ 3.12Å; D565-K569 PolarHBondContact OD1-NZ 3.21Å; D565-K569 VanDerWaalsContact OD1-NZ 3.12Å; D565-K569 IonicContact OD2-NZ 2.77Å; D565-K569 PolarHBondContact OD2-NZ 2.79Å; A566-K569 PolarHBondContact O-N 2.9Å; K569-W571 VanDerWaalsContact C-N 3.32Å; K569-W571 PolarHBondContact O-N 3.46Å; K569-R572 PolarHBondContact O-N 3.31Å; K569-E573 VanDerWaalsContact O-CB 3.3Å; K569-E573 WeakPolarHBondContact O-CB 3.35Å; K569-E573 WeakPolarHBondContact O-CG 3.36Å; K569-E573 PolarHBondContact O-N 3.11Å
570I86.2Confident86Confident0 Ų069.3 Ų69.30%033%0.329CS..Hα-helixtrans-58.3-46.8174.7-66.3161.5000110.3V544 I545 A566 R572 E574 G575 A578 F579V544-I570 HydrophobicContact CG1-CD1 4.45Å; I545-I570 HydrophobicContact CG1-CD1 4.02Å; A566-I570 HydrophobicContact CB-CD1 4.37Å; A566-I570 VanDerWaalsContact O-CB 3.31Å; A566-I570 WeakPolarHBondContact O-CB 3.45Å; A566-I570 VanDerWaalsContact O-CD1 3.26Å; A566-I570 WeakPolarHBondContact O-CD1 3.43Å; A566-I570 WeakPolarHBondContact O-CG1 3.14Å; A566-I570 PolarHBondContact O-N 3.06Å; I570-R572 PolarHBondContact O-N 2.86Å; I570-E574 PolarHBondContact O-N 3.32Å; I570-G575 PolarHBondContact O-N 3.3Å; I570-A578 HydrophobicContact CG2-CB 3.71Å; I570-F579 HydrophobicContact CB-CE1 4.35Å; I570-F579 HydrophobicContact CB-CE2 4.34Å; I570-F579 HydrophobicContact CB-CZ 3.9Å; I570-F579 HydrophobicContact CD1-CE1 4.28Å; I570-F579 HydrophobicContact CG2-CD2 4.23Å; I570-F579 HydrophobicContact CG2-CE1 4.09Å; I570-F579 HydrophobicContact CG2-CE2 3.77Å; I570-F579 HydrophobicContact CG2-CZ 3.72Å
571W88.1Confident86.1Confident165 Ų16570.9 Ų70.963%0.62534%0.337SS*.Hα-helixtrans-61.7-43.7178.6-175.9-87000112.2A567 K568 K569 G575 G576 F579A567-W571 VanDerWaalsContact O-CB 3.31Å; A567-W571 WeakPolarHBondContact O-CB 3.5Å; A567-W571 PolarHBondContact O-N 3.22Å; K568-W571 PolarHBondContact O-N 2.91Å; K569-W571 VanDerWaalsContact C-N 3.32Å; K569-W571 PolarHBondContact O-N 3.46Å; W571-G575 VanDerWaalsContact O-CA 3.24Å; W571-G575 WeakPolarHBondContact O-CA 3.4Å; W571-G575 PolarHBondContact O-N 2.95Å; W571-G575 VanDerWaalsContact O-N 3.1Å; W571-G576 VanDerWaalsContact CZ3-CA 3.4Å; W571-F579 HydrophobicContact CB-CE2 4.23Å; W571-F579 HydrophobicContact CE3-CD2 4.41Å; W571-F579 AromaticContact CE3-CE2 3.89Å; W571-F579 HydrophobicContact CE3-CE2 3.89Å
572R85.4Confident86.3Confident214 Ų21465.3 Ų65.381%0.80830%0.304SS*.Hα-helixtrans-71.1-41.4-179.7-76.2-179.9177.5-179.7-2.3113.5K568 K569 I570K568-R572 WeakPolarHBondContact O-CB 3.49Å; K568-R572 WeakPolarHBondContact O-CG 3.25Å; K568-R572 PolarHBondContact O-N 3.18Å; K569-R572 PolarHBondContact O-N 3.31Å; I570-R572 PolarHBondContact O-N 2.86Å
573E84.7Confident86.3Confident62 Ų6265.3 Ų65.329%0.2930%0.3SS..Hα-helixtrans-86.3-32.1-173.2-68.9167.4-14400112.9T363 T558 K569T363-E573 PolarHBondContact OG1-OE2 3.27Å; T558-E573 WeakPolarHBondContact CG2-OE1 3.45Å; T558-E573 WeakPolarHBondContact CG2-OE2 3.45Å; T558-E573 PolarHBondContact OG1-OE2 2.84Å; K569-E573 VanDerWaalsContact O-CB 3.3Å; K569-E573 WeakPolarHBondContact O-CB 3.35Å; K569-E573 WeakPolarHBondContact O-CG 3.36Å; K569-E573 PolarHBondContact O-N 3.11Å
574E79.8Confident86.2Confident33 Ų3365.6 Ų65.615%0.15431%0.31CS..Hα-helixtrans-128.5-9.2-170.7-55.9-170.9-159.800114.5R361 A362 R548 I570 A578 K581R361-E574 VanDerWaalsContact CA-OE1 3.32Å; R361-E574 WeakPolarHBondContact CA-OE1 3.16Å; A362-E574 HydrophobicContact CB-CG 3.85Å; A362-E574 PolarHBondContact N-OE1 2.91Å; A362-E574 VanDerWaalsContact N-OE1 3.14Å; R548-E574 IonicContact CZ-OE1 2.83Å; R548-E574 VanDerWaalsContact CZ-OE1 3.23Å; R548-E574 IonicContact CZ-OE2 3.78Å; R548-E574 VanDerWaalsContact NH1-CD 3.33Å; R548-E574 IonicContact NH1-OE1 3.38Å; R548-E574 PolarHBondContact NH1-OE1 2.77Å; R548-E574 IonicContact NH1-OE2 2.86Å; R548-E574 IonicContact NH2-OE1 2.77Å; R548-E574 PolarHBondContact NH2-OE1 3.16Å; R548-E574 IonicContact NH2-OE2 3.91Å; R548-E574 PolarHBondContact NH2-OE2 2.95Å; I570-E574 PolarHBondContact O-N 3.32Å; E574-A578 HydrophobicContact CB-CB 3.56Å; E574-K581 IonicContact OE2-NZ 2.72Å; E574-K581 PolarHBondContact OE2-NZ 3.4Å
575G86.1Confident86Confident27 Ų2760.1 Ų60.128%0.27828%0.283SS..  trans75175.1-177.600000114.6I570 W571 R577 A578I570-G575 PolarHBondContact O-N 3.3Å; W571-G575 VanDerWaalsContact O-CA 3.24Å; W571-G575 WeakPolarHBondContact O-CA 3.4Å; W571-G575 PolarHBondContact O-N 2.95Å; W571-G575 VanDerWaalsContact O-N 3.1Å; G575-R577 VanDerWaalsContact C-N 3.29Å; G575-R577 PolarHBondContact O-N 2.99Å; G575-A578 WeakPolarHBondContact O-CB 3.47Å; G575-A578 PolarHBondContact O-N 3.37Å
576G86.1Confident85.8Confident22 Ų2258.6 Ų58.623%0.22727%0.274CS..G310 helixtrans-62.4-27.5-173.300000115.4W571 A578 F579W571-G576 VanDerWaalsContact CZ3-CA 3.4Å; G576-A578 PolarHBondContact O-N 2.9Å; G576-F579 WeakPolarHBondContact O-CD2 3.44Å; G576-F579 PolarHBondContact O-N 2.83Å
577R86.3Confident85.7Confident233 Ų23359.9 Ų59.988%0.87928%0.282SS*.G310 helixtrans-65.9-22.8178.7-69.5-175.7178.7-177.90.2112.7G575 F579 W580G575-R577 VanDerWaalsContact C-N 3.29Å; G575-R577 PolarHBondContact O-N 2.99Å; R577-F579 PolarHBondContact O-N 3.15Å; R577-W580 PolarHBondContact O-N 2.88Å
578A85.9Confident85.5Confident1 Ų165.4 Ų65.41%0.00830%0.301CS..G310 helixtrans-61.8-30.1179.100000113.1I570 E574 G575 G576 W580 K581I570-A578 HydrophobicContact CG2-CB 3.71Å; E574-A578 HydrophobicContact CB-CB 3.56Å; G575-A578 WeakPolarHBondContact O-CB 3.47Å; G575-A578 PolarHBondContact O-N 3.37Å; G576-A578 PolarHBondContact O-N 2.9Å; A578-W580 PolarHBondContact O-N 2.97Å; A578-K581 HydrophobicContact CB-CD 4.4Å; A578-K581 WeakPolarHBondContact O-CB 3.39Å; A578-K581 WeakPolarHBondContact O-CG 3.35Å; A578-K581 PolarHBondContact O-N 3.42Å; A578-K581 VanDerWaalsContact O-N 3.16Å
579F89.1Confident85.1Confident20 Ų2061.1 Ų61.19%0.08828%0.281CS..G310 helixtrans-67.1-19.1178.8-70.8-79.7000114.1T540 P541 V544 I545 A567 I570 W571 G576 R577T540-F579 CarbonylContact C-O 3.14Å; P541-F579 VanDerWaalsContact CA-O 3.31Å; P541-F579 WeakPolarHBondContact CA-O 3.31Å; P541-F579 HydrophobicContact CB-CB 3.93Å; P541-F579 HydrophobicContact CB-CD1 4.05Å; P541-F579 HydrophobicContact CB-CG 4.36Å; P541-F579 HydrophobicContact CG-CB 4.16Å; V544-F579 WeakPolarHBondContact CG2-O 3.43Å; I545-F579 HydrophobicContact CD1-CD1 4.43Å; I545-F579 HydrophobicContact CD1-CE1 3.93Å; I545-F579 HydrophobicContact CG1-CD1 4.36Å; I545-F579 HydrophobicContact CG1-CE1 3.89Å; A567-F579 HydrophobicContact CB-CE1 4.37Å; A567-F579 HydrophobicContact CB-CZ 4.31Å; A567-F579 WeakPolarHBondContact O-CZ 3.46Å; I570-F579 HydrophobicContact CB-CE1 4.35Å; I570-F579 HydrophobicContact CB-CE2 4.34Å; I570-F579 HydrophobicContact CB-CZ 3.9Å; I570-F579 HydrophobicContact CD1-CE1 4.28Å; I570-F579 HydrophobicContact CG2-CD2 4.23Å; I570-F579 HydrophobicContact CG2-CE1 4.09Å; I570-F579 HydrophobicContact CG2-CE2 3.77Å; I570-F579 HydrophobicContact CG2-CZ 3.72Å; W571-F579 HydrophobicContact CB-CE2 4.23Å; W571-F579 HydrophobicContact CE3-CD2 4.41Å; W571-F579 AromaticContact CE3-CE2 3.89Å; W571-F579 HydrophobicContact CE3-CE2 3.89Å; G576-F579 WeakPolarHBondContact O-CD2 3.44Å; G576-F579 PolarHBondContact O-N 2.83Å; R577-F579 PolarHBondContact O-N 3.15Å
580W89.3Confident84.5Confident104 Ų10458.6 Ų58.639%0.39427%0.271SS..G310 helixtrans-104.810.7175.9-77-91.3000113.3F537 P541 R577 A578 G582 S583F537-W580 AromaticContact CE1-NE1 3.54Å; F537-W580 AromaticContact CE2-CD1 3.56Å; F537-W580 AromaticContact CE2-NE1 3.87Å; F537-W580 AromaticContact CZ-CD1 3.56Å; F537-W580 AromaticContact CZ-NE1 3.42Å; P541-W580 HydrophobicContact CG-CD2 4.37Å; P541-W580 HydrophobicContact CG-CH2 4.32Å; P541-W580 HydrophobicContact CG-CZ2 3.96Å; R577-W580 PolarHBondContact O-N 2.88Å; A578-W580 PolarHBondContact O-N 2.97Å; W580-G582 PolarHBondContact O-N 2.84Å; W580-S583 WeakPolarHBondContact O-CB 3.34Å; W580-S583 PolarHBondContact O-N 3.09Å; W580-S583 PolarHBondContact O-OG 3.02Å
581K82.3Confident84.1Confident50 Ų5059.4 Ų59.422%0.21728%0.276CS..THydrogen-bonded Turntrans-57.9130.8171.8-78.3176.9173.7179.20110.2Q358 E574 A578 S583Q358-K581 VanDerWaalsContact CG-O 3.31Å; Q358-K581 WeakPolarHBondContact CG-O 3.15Å; E574-K581 IonicContact OE2-NZ 2.72Å; E574-K581 PolarHBondContact OE2-NZ 3.4Å; A578-K581 HydrophobicContact CB-CD 4.4Å; A578-K581 WeakPolarHBondContact O-CB 3.39Å; A578-K581 WeakPolarHBondContact O-CG 3.35Å; A578-K581 PolarHBondContact O-N 3.42Å; A578-K581 VanDerWaalsContact O-N 3.16Å; K581-S583 PolarHBondContact O-N 3.1Å
582G82.8Confident83.6Confident9 Ų954 Ų549%0.09326%0.262CS..THydrogen-bonded Turntrans73.64.6-176.600000115.5W580 G584 A585 R586W580-G582 PolarHBondContact O-N 2.84Å; G582-G584 PolarHBondContact O-N 3.25Å; G582-A585 PolarHBondContact O-N 3.46Å; G582-R586 PolarHBondContact O-N 2.98Å
583S85.1Confident83.4Confident25 Ų2545.1 Ų45.118%0.17523%0.23CC..Hα-helixtrans-54-48176.849.60000113W580 K581 A585 R586 V587W580-S583 WeakPolarHBondContact O-CB 3.34Å; W580-S583 PolarHBondContact O-N 3.09Å; W580-S583 PolarHBondContact O-OG 3.02Å; K581-S583 PolarHBondContact O-N 3.1Å; S583-A585 PolarHBondContact O-N 2.97Å; S583-R586 WeakPolarHBondContact O-CB 3.46Å; S583-R586 PolarHBondContact O-N 2.93Å; S583-R586 VanDerWaalsContact O-N 3.08Å; S583-V587 WeakPolarHBondContact O-CG2 3.38Å; S583-V587 PolarHBondContact O-N 2.66Å
584G83.7Confident83Confident38 Ų3845.1 Ų45.139%0.39223%0.229SC..Hα-helixtrans-56.9-48.9176.300000111.9G582 R586 V587 F588G582-G584 PolarHBondContact O-N 3.25Å; G584-R586 VanDerWaalsContact C-N 3.28Å; G584-R586 PolarHBondContact O-N 2.63Å; G584-V587 PolarHBondContact O-N 3.34Å; G584-F588 WeakPolarHBondContact O-CB 3.37Å; G584-F588 VanDerWaalsContact O-CD2 3.28Å; G584-F588 WeakPolarHBondContact O-CD2 3.44Å; G584-F588 PolarHBondContact O-N 3Å
585A82.8Confident82.6Confident8 Ų844.4 Ų44.47%0.06623%0.231CC..Hα-helixtrans-61.3-36175.800000112.1I350 K354 G582 S583 R589I350-A585 HydrophobicContact CG2-CB 4.16Å; I350-A585 WeakPolarHBondContact CG2-O 3.46Å; K354-A585 HydrophobicContact CB-CB 3.81Å; K354-A585 HydrophobicContact CG-CB 4.42Å; G582-A585 PolarHBondContact O-N 3.46Å; S583-A585 PolarHBondContact O-N 2.97Å; A585-R589 VanDerWaalsContact O-CB 3.26Å; A585-R589 WeakPolarHBondContact O-CB 3.45Å; A585-R589 PolarHBondContact O-N 3.38Å
586R83.8Confident82.2Confident7 Ų745.5 Ų45.53%0.02623%0.232CC..Hα-helixtrans-65.7-43.6176.7-171.8178.7167.587.85.8112.2K354 A536 D543 G582 S583 G584 R589 S590K354-R586 HydrophobicContact CD-CB 4.18Å; K354-R586 HydrophobicContact CD-CG 4.43Å; K354-R586 HydrophobicContact CG-CB 4.4Å; A536-R586 HydrophobicContact CB-CG 4.1Å; A536-R586 VanDerWaalsContact O-CD 3.3Å; A536-R586 WeakPolarHBondContact O-CD 3.41Å; A536-R586 PolarHBondContact O-NE 3.33Å; D543-R586 IonicContact OD1-NH1 2.8Å; D543-R586 PolarHBondContact OD1-NH1 3.19Å; D543-R586 IonicContact OD2-CZ 3.52Å; D543-R586 IonicContact OD2-NH1 3.25Å; D543-R586 PolarHBondContact OD2-NH1 3.48Å; G582-R586 PolarHBondContact O-N 2.98Å; S583-R586 WeakPolarHBondContact O-CB 3.46Å; S583-R586 PolarHBondContact O-N 2.93Å; S583-R586 VanDerWaalsContact O-N 3.08Å; G584-R586 VanDerWaalsContact C-N 3.28Å; G584-R586 PolarHBondContact O-N 2.63Å; R586-R589 WeakPolarHBondContact O-CB 3.43Å; R586-R589 PolarHBondContact O-N 3.37Å; R586-S590 PolarHBondContact O-N 3.47Å; R586-S590 PolarHBondContact O-OG 3.09Å
587V85.8Confident81.9Confident28 Ų2845.9 Ų45.917%0.1723%0.23CC..Hα-helixtrans-64.1-47.9176171.90000110.6V533 A536 F537 S583 G584 R589 S590 S591V533-V587 HydrophobicContact CB-CG1 4.36Å; V533-V587 HydrophobicContact CG1-CG1 3.94Å; V533-V587 HydrophobicContact CG2-CG1 4.07Å; A536-V587 HydrophobicContact CB-CG2 4.05Å; F537-V587 HydrophobicContact CB-CG2 4.36Å; S583-V587 WeakPolarHBondContact O-CG2 3.38Å; S583-V587 PolarHBondContact O-N 2.66Å; G584-V587 PolarHBondContact O-N 3.34Å; V587-R589 PolarHBondContact O-N 3.24Å; V587-S590 PolarHBondContact O-N 3.46Å; V587-S590 PolarHBondContact O-OG 2.95Å; V587-S591 PolarHBondContact O-N 3.41Å
588F83.2Confident81.1Confident144 Ų14437.6 Ų37.663%0.63220%0.203SC*.Hα-helixtrans-65.9-15175.2-85.2-72.1000113.9I350 G584 P592I350-F588 HydrophobicContact CG2-CB 4.46Å; G584-F588 WeakPolarHBondContact O-CB 3.37Å; G584-F588 VanDerWaalsContact O-CD2 3.28Å; G584-F588 WeakPolarHBondContact O-CD2 3.44Å; G584-F588 PolarHBondContact O-N 3Å; F588-P592 WeakPolarHBondContact O-CD 3.33Å; F588-P592 WeakPolarHBondContact O-CG 3.48Å
589R81.7Confident80.4Confident39 Ų3942.4 Ų42.415%0.14723%0.228CC..Hα-helixtrans-84.7-49.8171.5-171-163.875.584.77.1110.9V347 I350 D351 A585 R586 V587 Q593V347-R589 HydrophobicContact CB-CG 4.02Å; V347-R589 HydrophobicContact CG2-CG 3.75Å; I350-R589 HydrophobicContact CB-CB 4.48Å; I350-R589 HydrophobicContact CG2-CB 4Å; D351-R589 HydrophobicContact CB-CG 4.36Å; D351-R589 WeakPolarHBondContact OD1-CD 3.42Å; D351-R589 IonicContact OD1-NE 3.98Å; A585-R589 VanDerWaalsContact O-CB 3.26Å; A585-R589 WeakPolarHBondContact O-CB 3.45Å; A585-R589 PolarHBondContact O-N 3.38Å; R586-R589 WeakPolarHBondContact O-CB 3.43Å; R586-R589 PolarHBondContact O-N 3.37Å; V587-R589 PolarHBondContact O-N 3.24Å; R589-Q593 WeakPolarHBondContact O-CB 3.33Å; R589-Q593 PolarHBondContact O-N 3Å; R589-Q593 VanDerWaalsContact O-N 3.12Å
590S76.9Confident79.8Confident2 Ų242.1 Ų42.11%0.01423%0.229CC..Hα-helixtrans-62-48.7-173.642.30000112.8A536 R586 V587 Q593 F594A536-S590 WeakPolarHBondContact CB-OG 3.32Å; R586-S590 PolarHBondContact O-N 3.47Å; R586-S590 PolarHBondContact O-OG 3.09Å; V587-S590 PolarHBondContact O-N 3.46Å; V587-S590 PolarHBondContact O-OG 2.95Å; S590-Q593 PolarHBondContact O-N 2.76Å; S590-F594 WeakPolarHBondContact O-CD2 3.49Å; S590-F594 PolarHBondContact O-N 3.14Å
591S76.7Confident79.1Confident16 Ų1639.8 Ų39.811%0.11222%0.22CC..Hα-helixtrans-66.1-49.9-172.4-66.40000112.3T529 V587 Q593 G595T529-S591 PolarHBondContact O-OG 2.85Å; V587-S591 PolarHBondContact O-N 3.41Å; S591-Q593 PolarHBondContact O-N 3.3Å; S591-G595 PolarHBondContact O-N 3.16Å
592P77.8Confident78.2Confident52 Ų5239.3 Ų39.334%0.33822%0.219SC..Hα-helixtrans-67.2-31.8174-2437.9000114V347 F588 F594 G595 V596V347-P592 HydrophobicContact CG1-CB 4.05Å; F588-P592 WeakPolarHBondContact O-CD 3.33Å; F588-P592 WeakPolarHBondContact O-CG 3.48Å; P592-F594 VanDerWaalsContact C-N 3.32Å; P592-F594 PolarHBondContact O-N 3.14Å; P592-G595 PolarHBondContact O-N 3.32Å; P592-G595 VanDerWaalsContact O-N 3.17Å; P592-V596 WeakPolarHBondContact O-CG2 3.41Å; P592-V596 PolarHBondContact O-N 3.2Å
593Q82.5Confident77.5Confident28 Ų2841.6 Ų41.613%0.13123%0.228CC..Hα-helixtrans-60-44.9-179.7-172.2176.61.600111.3V347 R589 S590 S591 T597V347-Q593 HydrophobicContact CB-CB 4.45Å; V347-Q593 HydrophobicContact CG1-CB 3.86Å; V347-Q593 HydrophobicContact CG2-CB 3.9Å; V347-Q593 HydrophobicContact CG2-CG 3.94Å; R589-Q593 WeakPolarHBondContact O-CB 3.33Å; R589-Q593 PolarHBondContact O-N 3Å; R589-Q593 VanDerWaalsContact O-N 3.12Å; S590-Q593 PolarHBondContact O-N 2.76Å; S591-Q593 PolarHBondContact O-N 3.3Å; Q593-T597 VanDerWaalsContact O-CB 3.31Å; Q593-T597 WeakPolarHBondContact O-CB 3.47Å; Q593-T597 PolarHBondContact O-N 3.47Å; Q593-T597 PolarHBondContact O-OG1 3.03Å
594F75.6Confident77Confident62 Ų6241.7 Ų41.727%0.27223%0.226SC..Hα-helixtrans-64.4-42.4176.1-71.7-66.1000111.5Y501 S590 P592 T597 L598Y501-F594 HydrophobicContact CD2-CE2 4.44Å; Y501-F594 HydrophobicContact CE1-CZ 4.42Å; Y501-F594 HydrophobicContact CE2-CD2 4.3Å; Y501-F594 HydrophobicContact CE2-CE1 4.49Å; Y501-F594 AromaticContact CE2-CE2 3.6Å; Y501-F594 HydrophobicContact CE2-CE2 3.6Å; Y501-F594 AromaticContact CE2-CZ 3.71Å; Y501-F594 HydrophobicContact CE2-CZ 3.71Å; Y501-F594 AromaticContact CZ-CE2 3.96Å; Y501-F594 AromaticContact CZ-CZ 3.65Å; Y501-F594 WeakPolarHBondContact OH-CE1 3.3Å; S590-F594 WeakPolarHBondContact O-CD2 3.49Å; S590-F594 PolarHBondContact O-N 3.14Å; P592-F594 VanDerWaalsContact C-N 3.32Å; P592-F594 PolarHBondContact O-N 3.14Å; F594-T597 PolarHBondContact O-N 2.86Å; F594-L598 PolarHBondContact O-N 3.39Å
595G70.6Confident76.1Confident18 Ų1841.5 Ų41.519%0.18622%0.215CC..Hα-helixtrans-57.2-53.6175.900000113.9S591 P592 T597 L598 L599S591-G595 PolarHBondContact O-N 3.16Å; P592-G595 PolarHBondContact O-N 3.32Å; P592-G595 VanDerWaalsContact O-N 3.17Å; G595-T597 PolarHBondContact O-N 2.91Å; G595-L598 PolarHBondContact O-N 3.46Å; G595-L599 WeakPolarHBondContact O-CB 3.34Å; G595-L599 PolarHBondContact O-N 3.35Å
596V78Confident75Confident49 Ų4949.2 Ų49.230%0.29724%0.243SC..Hα-helixtrans-66-39.1-179.9177.60000111.2A346 P592 L598 L599 A600A346-V596 HydrophobicContact CB-CB 4.37Å; A346-V596 HydrophobicContact CB-CG1 3.79Å; A346-V596 HydrophobicContact CB-CG2 4.19Å; P592-V596 WeakPolarHBondContact O-CG2 3.41Å; P592-V596 PolarHBondContact O-N 3.2Å; V596-L598 VanDerWaalsContact C-N 3.34Å; V596-L598 PolarHBondContact O-N 3.1Å; V596-L599 PolarHBondContact O-N 3.08Å; V596-A600 WeakPolarHBondContact O-CB 3.45Å; V596-A600 PolarHBondContact O-N 2.86Å
597T79.3Confident74.2Confident31 Ų3157.8 Ų57.819%0.1928%0.276CS..Hα-helixtrans-60.8-45.4177.1-57.40000110.9A339 Q593 F594 G595 A600 Y601A339-T597 HydrophobicContact CB-CG2 4.29Å; Q593-T597 VanDerWaalsContact O-CB 3.31Å; Q593-T597 WeakPolarHBondContact O-CB 3.47Å; Q593-T597 PolarHBondContact O-N 3.47Å; Q593-T597 PolarHBondContact O-OG1 3.03Å; F594-T597 PolarHBondContact O-N 2.86Å; G595-T597 PolarHBondContact O-N 2.91Å; T597-A600 PolarHBondContact O-N 3.37Å; T597-Y601 WeakPolarHBondContact O-CB 3.35Å; T597-Y601 PolarHBondContact O-N 3.15Å
598L70.6Confident73.4Confident59 Ų5960.5 Ų60.531%0.30929%0.29SS..Hα-helixtrans-66.9-46-179.9-172.269.3000111.3L525 F594 G595 V596 A600 Y601 E602L525-L598 HydrophobicContact CB-CD2 4.04Å; L525-L598 HydrophobicContact CD1-CB 4.2Å; L525-L598 HydrophobicContact CD1-CD2 3.65Å; L525-L598 HydrophobicContact CG-CD2 4.37Å; F594-L598 PolarHBondContact O-N 3.39Å; G595-L598 PolarHBondContact O-N 3.46Å; V596-L598 VanDerWaalsContact C-N 3.34Å; V596-L598 PolarHBondContact O-N 3.1Å; L598-A600 VanDerWaalsContact C-N 3.34Å; L598-A600 PolarHBondContact O-N 3.23Å; L598-Y601 WeakPolarHBondContact O-CB 3.49Å; L598-Y601 PolarHBondContact O-N 2.8Å; L598-E602 PolarHBondContact O-N 2.88Å
599L70.6Confident71.9Confident102 Ų10258.1 Ų58.153%0.53428%0.283SS..Hα-helixtrans-59-46.3176.4-179.866.9000111.2G595 V596 Y601 E602 M603G595-L599 WeakPolarHBondContact O-CB 3.34Å; G595-L599 PolarHBondContact O-N 3.35Å; V596-L599 PolarHBondContact O-N 3.08Å; L599-Y601 VanDerWaalsContact C-N 3.31Å; L599-Y601 PolarHBondContact O-N 2.81Å; L599-E602 PolarHBondContact O-N 3.16Å; L599-M603 HydrophobicContact CD1-CG 4.3Å; L599-M603 HydrophobicContact CG-CG 4.38Å; L599-M603 WeakPolarHBondContact O-CB 3.39Å; L599-M603 WeakPolarHBondContact O-CG 3.41Å; L599-M603 PolarHBondContact O-N 3.24Å
600A77.2Confident70.6Confident14 Ų1463.4 Ų63.412%0.11631%0.308CS..Hα-helixtrans-61.5-41.3176.900000111.1A339 F342 V596 T597 L598 M603 L604A339-A600 HydrophobicContact CB-CB 4.13Å; F342-A600 HydrophobicContact CB-CB 3.91Å; F342-A600 HydrophobicContact CG-CB 4.42Å; V596-A600 WeakPolarHBondContact O-CB 3.45Å; V596-A600 PolarHBondContact O-N 2.86Å; T597-A600 PolarHBondContact O-N 3.37Å; L598-A600 VanDerWaalsContact C-N 3.34Å; L598-A600 PolarHBondContact O-N 3.23Å; A600-M603 PolarHBondContact O-N 2.77Å; A600-L604 VanDerWaalsContact O-CB 3.22Å; A600-L604 WeakPolarHBondContact O-CB 3.33Å; A600-L604 WeakPolarHBondContact O-CD1 3.4Å; A600-L604 WeakPolarHBondContact O-CG 3.42Å; A600-L604 PolarHBondContact O-N 3.35Å
601Y73.7Confident69.1Low54 Ų5468.7 Ų68.721%0.21234%0.336CS..Hα-helixtrans-62.8-47.7176.5-172.1-102.1000111.8L335 A339 T597 L598 L599 M603 L604 Q605 L617L335-Y601 HydrophobicContact CB-CD2 4.27Å; L335-Y601 HydrophobicContact CB-CE2 3.91Å; A339-Y601 HydrophobicContact CB-CD2 4.09Å; A339-Y601 HydrophobicContact CB-CG 4.41Å; T597-Y601 WeakPolarHBondContact O-CB 3.35Å; T597-Y601 PolarHBondContact O-N 3.15Å; L598-Y601 WeakPolarHBondContact O-CB 3.49Å; L598-Y601 PolarHBondContact O-N 2.8Å; L599-Y601 VanDerWaalsContact C-N 3.31Å; L599-Y601 PolarHBondContact O-N 2.81Å; Y601-M603 PolarHBondContact O-N 3Å; Y601-L604 PolarHBondContact O-N 3.08Å; Y601-Q605 HydrophobicContact CD1-CG 4.42Å; Y601-Q605 HydrophobicContact CE1-CG 4.13Å; Y601-Q605 VanDerWaalsContact CE1-NE2 3.28Å; Y601-Q605 WeakPolarHBondContact O-CB 3.22Å; Y601-Q605 VanDerWaalsContact O-CG 3.32Å; Y601-Q605 WeakPolarHBondContact O-CG 3.36Å; Y601-Q605 PolarHBondContact O-N 3.43Å; Y601-Q605 PolarHBondContact OH-NE2 2.84Å; Y601-L617 HydrophobicContact CE1-CD2 4.42Å
602E63.4Low67.9Low40 Ų4069.3 Ų69.319%0.18734%0.336CS..Hα-helixtrans-62.9-42.1177-72.3-171.7171.200112S521 L598 L599 Q605 R606S521-E602 WeakPolarHBondContact CB-OE1 3.43Å; S521-E602 PolarHBondContact OG-OE1 2.84Å; L598-E602 PolarHBondContact O-N 2.88Å; L599-E602 PolarHBondContact O-N 3.16Å; E602-Q605 PolarHBondContact O-N 2.91Å; E602-R606 WeakPolarHBondContact O-CG 3.37Å; E602-R606 PolarHBondContact O-N 2.74Å; E602-R606 IonicContact OE2-NH2 3.84Å
603M68.3Low65.9Low57 Ų5769.9 Ų69.928%0.28135%0.352SS..Hα-helixtrans-63.9-47.5175.5-70.7-65.798.200111.6L599 A600 Y601 Q605 R606 Y607L599-M603 HydrophobicContact CD1-CG 4.3Å; L599-M603 HydrophobicContact CG-CG 4.38Å; L599-M603 WeakPolarHBondContact O-CB 3.39Å; L599-M603 WeakPolarHBondContact O-CG 3.41Å; L599-M603 PolarHBondContact O-N 3.24Å; A600-M603 PolarHBondContact O-N 2.77Å; Y601-M603 PolarHBondContact O-N 3Å; M603-Q605 VanDerWaalsContact C-N 3.28Å; M603-Q605 PolarHBondContact O-N 3.29Å; M603-R606 PolarHBondContact O-N 3.18Å; M603-R606 VanDerWaalsContact O-N 3.11Å; M603-Y607 HydrophobicContact CB-CD2 4.33Å; M603-Y607 HydrophobicContact CB-CE2 4.48Å; M603-Y607 WeakPolarHBondContact O-CD2 3.31Å; M603-Y607 PolarHBondContact O-N 2.96Å; M603-Y607 HydrophobicContact SD-CE2 4.1Å
604L73.8Confident63.6Low27 Ų2769.5 Ų69.514%0.14136%0.355CS..Hα-helixtrans-60.8-39.9178.2-75.2164.9000111.3L335 I338 A339 A600 Y601 L608L335-L604 HydrophobicContact CD2-CB 3.96Å; I338-L604 HydrophobicContact CB-CD1 4.01Å; I338-L604 HydrophobicContact CG2-CD1 3.66Å; I338-L604 HydrophobicContact CG2-CD2 4.21Å; A339-L604 HydrophobicContact CB-CD1 4.03Å; A600-L604 VanDerWaalsContact O-CB 3.22Å; A600-L604 WeakPolarHBondContact O-CB 3.33Å; A600-L604 WeakPolarHBondContact O-CD1 3.4Å; A600-L604 WeakPolarHBondContact O-CG 3.42Å; A600-L604 PolarHBondContact O-N 3.35Å; Y601-L604 PolarHBondContact O-N 3.08Å; L604-L608 HydrophobicContact CD2-CD1 3.95Å; L604-L608 WeakPolarHBondContact O-CA 3.44Å; L604-L608 VanDerWaalsContact O-CB 3.23Å; L604-L608 WeakPolarHBondContact O-CB 3.22Å; L604-L608 PolarHBondContact O-N 2.89Å
605Q66Low61.8Low35 Ų3571.4 Ų71.416%0.16436%0.361CS..Hα-helixtrans-65.5-38.2174.4-74.8-177.6-50.100112.8L335 Y601 E602 M603 N609L335-Q605 HydrophobicContact CD1-CG 3.65Å; Y601-Q605 HydrophobicContact CD1-CG 4.42Å; Y601-Q605 HydrophobicContact CE1-CG 4.13Å; Y601-Q605 VanDerWaalsContact CE1-NE2 3.28Å; Y601-Q605 WeakPolarHBondContact O-CB 3.22Å; Y601-Q605 VanDerWaalsContact O-CG 3.32Å; Y601-Q605 WeakPolarHBondContact O-CG 3.36Å; Y601-Q605 PolarHBondContact O-N 3.43Å; Y601-Q605 PolarHBondContact OH-NE2 2.84Å; E602-Q605 PolarHBondContact O-N 2.91Å; M603-Q605 VanDerWaalsContact C-N 3.28Å; M603-Q605 PolarHBondContact O-N 3.29Å; Q605-N609 WeakPolarHBondContact O-CA 3.46Å; Q605-N609 WeakPolarHBondContact O-CB 3.36Å; Q605-N609 PolarHBondContact O-N 3.22Å
606R60.4Low59.8Low169 Ų16977.6 Ų77.664%0.63839%0.385SS*.Hα-helixtrans-69-41.7176.8-74.3-179.2-167.7156.412112.8E602 M603E602-R606 WeakPolarHBondContact O-CG 3.37Å; E602-R606 PolarHBondContact O-N 2.74Å; E602-R606 IonicContact OE2-NH2 3.84Å; M603-R606 PolarHBondContact O-N 3.18Å; M603-R606 VanDerWaalsContact O-N 3.11Å
607Y66.4Low57.5Low188 Ų18879.9 Ų79.974%0.73740%0.395SS*.Hα-helixtrans-82.4-40.7-177.1-77.4-66.8000113.2M603 N609M603-Y607 HydrophobicContact CB-CD2 4.33Å; M603-Y607 HydrophobicContact CB-CE2 4.48Å; M603-Y607 WeakPolarHBondContact O-CD2 3.31Å; M603-Y607 PolarHBondContact O-N 2.96Å; M603-Y607 HydrophobicContact SD-CE2 4.1Å; Y607-N609 VanDerWaalsContact C-N 3.35Å
608L68.7Low55.2Low85 Ų8581.4 Ų81.445%0.44541%0.407SS..SBendtrans-102.155.6176.4-54172000107.6Y331 L335 L604 F610Y331-L608 WeakPolarHBondContact OH-CB 3.19Å; Y331-L608 PolarHBondContact OH-O 2.92Å; L335-L608 HydrophobicContact CD2-CD1 3.98Å; L604-L608 HydrophobicContact CD2-CD1 3.95Å; L604-L608 WeakPolarHBondContact O-CA 3.44Å; L604-L608 VanDerWaalsContact O-CB 3.23Å; L604-L608 WeakPolarHBondContact O-CB 3.22Å; L604-L608 PolarHBondContact O-N 2.89Å; L608-F610 PolarHBondContact O-N 3.22Å
609N51.8Low53.1Low94 Ų9480.8 Ų80.850%0.50342%0.415SS..  trans-76.785.3173.1-159.5-0.8000108.4Q605 Y607 D611 E616Q605-N609 WeakPolarHBondContact O-CA 3.46Å; Q605-N609 WeakPolarHBondContact O-CB 3.36Å; Q605-N609 PolarHBondContact O-N 3.22Å; Y607-N609 VanDerWaalsContact C-N 3.35Å; N609-D611 PolarHBondContact O-N 2.85Å; N609-E616 PolarHBondContact ND2-OE1 2.93Å
610F54.4Low50.8Low149 Ų14984.8 Ų84.865%0.65443%0.428SS*.  trans-84101.4168.8-123.8-83.9000106.8Y331 L608 F612Y331-F610 HydrophobicContact CE1-CB 4.39Å; Y331-F610 HydrophobicContact CE2-CB 4.33Å; L608-F610 PolarHBondContact O-N 3.22Å; F610-F612 HydrophobicContact CB-CD2 4.41Å; F610-F612 HydrophobicContact CB-CE2 3.86Å; F610-F612 HydrophobicContact CB-CZ 4.44Å; F610-F612 WeakPolarHBondContact O-CD2 3.48Å; F610-F612 PolarHBondContact O-N 3.31Å
611D45.6Very low48.4Very low114 Ų11487.2 Ų87.261%0.6144%0.442SS*.  trans-72.5100.1179.6-170.33.5000109.1N609 G613 G614N609-D611 PolarHBondContact O-N 2.85Å; D611-G613 PolarHBondContact O-N 2.72Å; D611-G613 VanDerWaalsContact O-N 3.11Å; D611-G613 WeakPolarHBondContact OD1-CA 3.45Å; D611-G613 PolarHBondContact OD1-N 3.42Å; D611-G614 PolarHBondContact OD1-N 3.14Å; D611-G614 VanDerWaalsContact OD1-N 3.15Å
612F51Low46Very low28 Ų2890.9 Ų90.912%0.12346%0.464CS..  trans-77.425169.9-68.4-89.4000111.9R320 M324 L327 E328 Y331 F610 G614R320-F612 PolarHBondContact NH2-O 3.28Å; R320-F612 VanDerWaalsContact NH2-O 3.15Å; M324-F612 HydrophobicContact CE-CB 4.12Å; M324-F612 HydrophobicContact CE-CD1 3.63Å; M324-F612 HydrophobicContact CE-CE1 4.48Å; M324-F612 HydrophobicContact CE-CG 4.27Å; M324-F612 HydrophobicContact CG-CB 4.35Å; M324-F612 HydrophobicContact CG-CD1 4.1Å; M324-F612 HydrophobicContact SD-CD1 3.77Å; M324-F612 HydrophobicContact SD-CE1 4.46Å; L327-F612 HydrophobicContact CB-CD1 4.3Å; L327-F612 HydrophobicContact CB-CE1 3.74Å; L327-F612 HydrophobicContact CB-CZ 4.49Å; E328-F612 HydrophobicContact CB-CB 4.17Å; E328-F612 HydrophobicContact CB-CD1 4.44Å; E328-F612 HydrophobicContact CB-CD2 4.27Å; E328-F612 HydrophobicContact CB-CG 4.05Å; E328-F612 HydrophobicContact CG-CB 4.27Å; E328-F612 HydrophobicContact CG-CD2 4.27Å; E328-F612 HydrophobicContact CG-CG 4.35Å; Y331-F612 HydrophobicContact CD1-CD2 4.27Å; Y331-F612 AromaticContact CD1-CE2 3.6Å; Y331-F612 HydrophobicContact CD1-CE2 3.6Å; Y331-F612 HydrophobicContact CD2-CE2 4.03Å; Y331-F612 HydrophobicContact CD2-CZ 4.31Å; Y331-F612 HydrophobicContact CE1-CE2 4.34Å; Y331-F612 HydrophobicContact CG-CD2 4.46Å; Y331-F612 AromaticContact CG-CE2 3.43Å; Y331-F612 HydrophobicContact CG-CE2 3.43Å; Y331-F612 VanDerWaalsContact CG-CE2 3.43Å; Y331-F612 AromaticContact CG-CZ 3.98Å; Y331-F612 HydrophobicContact CG-CZ 3.98Å; F610-F612 HydrophobicContact CB-CD2 4.41Å; F610-F612 HydrophobicContact CB-CE2 3.86Å; F610-F612 HydrophobicContact CB-CZ 4.44Å; F610-F612 WeakPolarHBondContact O-CD2 3.48Å; F610-F612 PolarHBondContact O-N 3.31Å; F612-G614 PolarHBondContact O-N 3.4Å
613G36.1Very low44.3Very low64 Ų6492.3 Ų92.366%0.6647%0.473SS*.SBendtrans60.934.3-16800000111.5D611D611-G613 PolarHBondContact O-N 2.72Å; D611-G613 VanDerWaalsContact O-N 3.11Å; D611-G613 WeakPolarHBondContact OD1-CA 3.45Å; D611-G613 PolarHBondContact OD1-N 3.42Å
614G33.9Very low42.3Very low20 Ų2095.4 Ų95.421%0.20648%0.482CS..  trans-147.6112.1-155.600000114.5D611 F612D611-G614 PolarHBondContact OD1-N 3.14Å; D611-G614 VanDerWaalsContact OD1-N 3.15Å; F612-G614 PolarHBondContact O-N 3.4Å
615R38.3Very low40.1Very low102 Ų102102.6 Ų102.639%0.38551%0.514SS..  trans-2.8133.5172.2-102.2-174.4171.8-168.1-1.2121.9A304 R305 G308A304-R615 VanDerWaalsContact C-NH2 3.3Å; A304-R615 PolarHBondContact O-NH1 3.17Å; A304-R615 PolarHBondContact O-NH2 3.44Å; R305-R615 VanDerWaalsContact CA-NH2 3.26Å; R305-R615 PolarHBondContact O-NH1 3.16Å; G308-R615 VanDerWaalsContact CA-CZ 3.46Å; G308-R615 WeakPolarHBondContact O-CD 3.44Å; G308-R615 PolarHBondContact O-NH1 2.85Å
616E28.8Very low38.4Very low148 Ų148107.2 Ų107.269%0.69255%0.545SS*.  trans-78.2128.1156.8-68.3-173.8155.500113.8N609N609-E616 PolarHBondContact ND2-OE1 2.93Å
617L29.8Very low37.2Very low98 Ų98104 Ų10451%0.51355%0.549SS..  trans41.6140142-71.5161.4000125.7Y601Y601-L617 HydrophobicContact CE1-CD2 4.42Å
618S29.5Very low36.3Very low62 Ų6297 Ų9743%0.43453%0.526SS..  trans90.7117.8147.4-159.70000120.5K309K309-S618 VanDerWaalsContact CE-O 3.3Å; K309-S618 WeakPolarHBondContact CE-O 3.46Å; K309-S618 PolarHBondContact NZ-O 3.2Å
619G26.3Very low35.4Very low46 Ų4695.7 Ų95.747%0.47452%0.516SS..  trans72.8101.115000000116.8K309 P621K309-G619 PolarHBondContact NZ-O 2.98Å; G619-P621 WeakPolarHBondContact O-CD 3.44Å
620K23.3Very low35.6Very low186 Ų18692.4 Ų92.481%0.80950%0.501SS*.  trans-61.2127.6172.8-65.8-177.5176.3-177.10111.9
621P26.4Very low36Very low65 Ų6591.4 Ų91.442%0.42251%0.507SS..  trans-102.4132.7148.626.3-10.8000109.8G619 N623G619-P621 WeakPolarHBondContact O-CD 3.44Å; P621-N623 PolarHBondContact O-N 3.48Å; P621-N623 PolarHBondContact O-ND2 2.94Å; P621-N623 VanDerWaalsContact O-ND2 3.13Å
622I24.5Very low37.5Very low132 Ų13286.2 Ų86.268%0.67748%0.479SS*.  trans-65.5112.3172-62.5166.7000106.6
623N27.6Very low38.9Very low69 Ų6990.1 Ų90.137%0.36951%0.507SS..  trans-116.7112.4172.5-75.5-83.5000108.6L306 P621L306-N623 HydrophobicContact CD1-CB 4.25Å; L306-N623 HydrophobicContact CD2-CB 4.09Å; L306-N623 WeakPolarHBondContact CD2-ND2 3.39Å; P621-N623 PolarHBondContact O-N 3.48Å; P621-N623 PolarHBondContact O-ND2 2.94Å; P621-N623 VanDerWaalsContact O-ND2 3.13Å
624R25.7Very low41.3Very low122 Ų12288.3 Ų88.346%0.4648%0.483SS..  trans-95.6131.4151.7-65.9-173.5-179.2138.6-5.1105.6K422 P423 N424K422-R624 PolarHBondContact O-NH2 2.88Å; P423-R624 PolarHBondContact O-NH1 2.76Å; P423-R624 PolarHBondContact O-NH2 2.71Å; N424-R624 PolarHBondContact O-NH1 2.98Å
625H28.2Very low43.8Very low178 Ų17887.7 Ų87.782%0.82447%0.474SS*.  trans-175.6135.1133.7-89.6-67.6000106.4
626T29.7Very low46Very low132 Ų13284 Ų8481%0.8146%0.462SS*.  trans-62.2147.8-174.631.20000112.3
627S35.7Very low48.5Very low103 Ų10377.6 Ų77.672%0.7244%0.436SS*.  trans-54.3124.6-163.151.60000116.3
628V47.3Very low51Low41 Ų4173 Ų7325%0.24841%0.411CS..  trans-96.34.3170.6-169.40000111.7T644V628-T644 HydrophobicContact CG1-CG2 3.74Å; V628-T644 PolarHBondContact O-OG1 3.46Å
629F48.6Very low53.8Low57 Ų5770 Ų7025%0.2539%0.391CS..SBendtrans-72.1147.5180-65.2-74.8000112.2E303 Q307 T631 Y641E303-F629 HydrophobicContact CB-CZ 4.35Å; E303-F629 HydrophobicContact CG-CZ 3.93Å; E303-F629 WeakPolarHBondContact OE1-CZ 3.35Å; E303-F629 WeakPolarHBondContact OE2-CE1 3.5Å; E303-F629 WeakPolarHBondContact OE2-CZ 3.44Å; Q307-F629 HydrophobicContact CG-CZ 4.24Å; F629-T631 PolarHBondContact O-N 3.25Å; F629-Y641 HydrophobicContact CE1-CE1 4.39Å
630S56.5Low56.5Low25 Ų2570.5 Ų70.518%0.17538%0.381CS..  trans-52.4134.9168176.30000111.3N632 H635S630-N632 PolarHBondContact O-N 2.98Å; S630-N632 PolarHBondContact OG-N 3.31Å; S630-N632 VanDerWaalsContact OG-N 3.09Å; S630-H635 WeakPolarHBondContact CB-ND1 3.33Å; S630-H635 PolarHBondContact OG-CE1 3.22Å; S630-H635 PolarHBondContact OG-ND1 3.02Å
631T62.8Low59.1Low128 Ų12863.3 Ų63.379%0.78535%0.349SS*.SBendtrans-79.1-6.6174.355.70000112.5F629 P633F629-T631 PolarHBondContact O-N 3.25Å; T631-P633 WeakPolarHBondContact O-CD 3.28Å
632N76.9Confident61.9Low5 Ų560.2 Ų60.23%0.02733%0.329CS..  trans-82.8114.1178.3-170.7-11.4000110.2Y19 Y39 S630 D634 H635Y19-N632 PolarHBondContact OH-ND2 2.9Å; Y39-N632 PolarHBondContact O-ND2 3.34Å; S630-N632 PolarHBondContact O-N 2.98Å; S630-N632 PolarHBondContact OG-N 3.31Å; S630-N632 VanDerWaalsContact OG-N 3.09Å; N632-D634 PolarHBondContact O-N 3.24Å; N632-D634 VanDerWaalsContact O-N 3.14Å; N632-D634 WeakPolarHBondContact OD1-CB 3.23Å; N632-D634 PolarHBondContact OD1-N 3.42Å; N632-H635 WeakPolarHBondContact O-CB 3.41Å; N632-H635 PolarHBondContact O-N 2.92Å
633P80.6Confident64.5Low110 Ų11055.7 Ų55.771%0.71431%0.307SS*.THydrogen-bonded Turntrans-64.2-17.9179.728.4-36.7000113.5T631 H635T631-P633 WeakPolarHBondContact O-CD 3.28Å; P633-H635 VanDerWaalsContact C-N 3.29Å
634D86.4Confident66.8Low26 Ų2652.9 Ų52.914%0.13929%0.292CS..THydrogen-bonded Turntrans-80.9-8.4176.4-59.7-38.9000112.7V15 K18 Y19 Y39 N632 I636V15-D634 HydrophobicContact CG1-CB 4Å; V15-D634 HydrophobicContact CG2-CB 4.23Å; K18-D634 VanDerWaalsContact NZ-CG 3.26Å; K18-D634 IonicContact NZ-OD1 2.66Å; K18-D634 PolarHBondContact NZ-OD1 2.91Å; K18-D634 IonicContact NZ-OD2 3.72Å; K18-D634 PolarHBondContact NZ-OD2 3.45Å; Y19-D634 HydrophobicContact CE2-CB 3.98Å; Y19-D634 VanDerWaalsContact CE2-OD2 3.23Å; Y19-D634 WeakPolarHBondContact CE2-OD2 3.21Å; Y19-D634 VanDerWaalsContact CZ-OD2 3.26Å; Y19-D634 PolarHBondContact OH-OD2 3.33Å; Y39-D634 HydrophobicContact CE2-CB 4.26Å; N632-D634 PolarHBondContact O-N 3.24Å; N632-D634 VanDerWaalsContact O-N 3.14Å; N632-D634 WeakPolarHBondContact OD1-CB 3.23Å; N632-D634 PolarHBondContact OD1-N 3.42Å; D634-I636 PolarHBondContact O-N 3.21Å
635H86.4Confident69.5Low6 Ų647.7 Ų47.73%0.02828%0.275CS..  trans-7592.5172.7-72.9-168.3000108.8Y39 S630 N632 P633 Y639 Q640Y39-H635 AromaticContact CE2-CD2 3.59Å; Y39-H635 AromaticContact CZ-CD2 3.72Å; Y39-H635 PolarHBondContact O-NE2 3.36Å; S630-H635 WeakPolarHBondContact CB-ND1 3.33Å; S630-H635 PolarHBondContact OG-CE1 3.22Å; S630-H635 PolarHBondContact OG-ND1 3.02Å; N632-H635 WeakPolarHBondContact O-CB 3.41Å; N632-H635 PolarHBondContact O-N 2.92Å; P633-H635 VanDerWaalsContact C-N 3.29Å; H635-Y639 PolarHBondContact ND1-O 3.19Å; H635-Q640 WeakPolarHBondContact O-CG 3.32Å
636I83.9Confident72.2Confident25 Ų2539.4 Ų39.413%0.12824%0.236CC..  trans-109.5152.8178.259.6173.5000111D11 L12 V15 D634 Y639D11-I636 HydrophobicContact CB-CD1 3.6Å; L12-I636 HydrophobicContact CD2-CD1 4Å; L12-I636 HydrophobicContact CD2-CG1 3.7Å; L12-I636 HydrophobicContact CG-CD1 4.13Å; L12-I636 HydrophobicContact CG-CG1 4.32Å; V15-I636 HydrophobicContact CG2-CD1 3.92Å; V15-I636 HydrophobicContact CG2-CG1 4.34Å; D634-I636 PolarHBondContact O-N 3.21Å; I636-Y639 PolarHBondContact O-N 2.87Å
637G83.1Confident74.4Confident14 Ų1434.9 Ų34.914%0.14421%0.21CC..G310 helixtrans59.8-135.2-176.400000112.5S7 E77 Y639 Q640S7-G637 WeakPolarHBondContact OG-CA 3.41Å; S7-G637 PolarHBondContact OG-N 3.25Å; S7-G637 VanDerWaalsContact OG-N 3.11Å; E77-G637 WeakPolarHBondContact OE1-CA 3.11Å; G637-Y639 PolarHBondContact O-N 3.48Å; G637-Y639 VanDerWaalsContact O-N 3.15Å; G637-Q640 WeakPolarHBondContact O-CB 3.36Å; G637-Q640 WeakPolarHBondContact O-CG 3.45Å; G637-Q640 PolarHBondContact O-N 3.18Å; G637-Q640 VanDerWaalsContact O-N 3.12Å
638G81.2Confident76.5Confident0 Ų030.1 Ų30.10%018%0.176CC..G310 helixtrans-55.6-29.1179.100000114.2E77 L80 C81 Q640 Y641E77-G638 PolarHBondContact OE1-N 2.89Å; L80-G638 WeakPolarHBondContact CB-O 3.48Å; L80-G638 WeakPolarHBondContact CD1-O 3.25Å; C81-G638 WeakPolarHBondContact SG-CA 3.34Å; G638-Q640 PolarHBondContact O-N 3.47Å; G638-Y641 WeakPolarHBondContact O-CD2 3.29Å; G638-Y641 PolarHBondContact O-N 3.39Å
639Y88.8Confident78.3Confident0 Ų028.1 Ų28.10%016%0.164CC..G310 helixtrans-65.9-19.4179.5-75-71.1000114.3L12 F35 Y39 L40 F73 F76 E77 L80 H635 I636 G637 Y641 A642L12-Y639 HydrophobicContact CD2-CD2 4.19Å; L12-Y639 HydrophobicContact CD2-CE2 4.45Å; F35-Y639 AromaticContact CE2-CE1 3.81Å; F35-Y639 HydrophobicContact CE2-CE1 3.81Å; F35-Y639 HydrophobicContact CZ-CE1 4.02Å; Y39-Y639 AromaticContact CE1-CD1 3.53Å; Y39-Y639 HydrophobicContact CE1-CD1 3.53Å; Y39-Y639 HydrophobicContact CE1-CD2 4.23Å; Y39-Y639 AromaticContact CE1-CE1 3.68Å; Y39-Y639 HydrophobicContact CE1-CE1 3.68Å; Y39-Y639 HydrophobicContact CE1-CE2 4.36Å; Y39-Y639 AromaticContact CE1-CG 3.83Å; Y39-Y639 HydrophobicContact CE1-CG 3.83Å; Y39-Y639 AromaticContact CZ-CG 3.88Å; Y39-Y639 VanDerWaalsContact OH-CB 3.24Å; Y39-Y639 WeakPolarHBondContact OH-CB 3.46Å; Y39-Y639 WeakPolarHBondContact OH-CD2 3.36Å; L40-Y639 HydrophobicContact CD2-CD1 3.81Å; L40-Y639 HydrophobicContact CD2-CE1 4.13Å; F73-Y639 AromaticContact CD1-CE2 3.96Å; F73-Y639 HydrophobicContact CD1-CE2 3.96Å; F73-Y639 HydrophobicContact CD2-CE2 4.02Å; F73-Y639 AromaticContact CD2-CZ 3.68Å; F73-Y639 WeakPolarHBondContact CD2-OH 3.48Å; F73-Y639 HydrophobicContact CE1-CD2 4.23Å; F73-Y639 AromaticContact CE1-CE2 3.5Å; F73-Y639 HydrophobicContact CE1-CE2 3.5Å; F73-Y639 HydrophobicContact CE2-CD2 4.41Å; F73-Y639 HydrophobicContact CE2-CE1 4.15Å; F73-Y639 AromaticContact CE2-CE2 3.56Å; F73-Y639 HydrophobicContact CE2-CE2 3.56Å; F73-Y639 AromaticContact CE2-CZ 3.42Å; F73-Y639 VanDerWaalsContact CE2-CZ 3.42Å; F73-Y639 WeakPolarHBondContact CE2-OH 3.48Å; F73-Y639 HydrophobicContact CG-CE2 4.2Å; F73-Y639 WeakPolarHBondContact CG-OH 3.48Å; F73-Y639 AromaticContact CZ-CD2 3.88Å; F73-Y639 HydrophobicContact CZ-CD2 3.88Å; F73-Y639 AromaticContact CZ-CE2 3.28Å; F73-Y639 HydrophobicContact CZ-CE2 3.28Å; F73-Y639 AromaticContact CZ-CZ 3.7Å; F73-Y639 PolarHBondContact O-OH 3.24Å; F76-Y639 AromaticContact CD1-CE1 3.62Å; F76-Y639 HydrophobicContact CD1-CE1 3.62Å; F76-Y639 AromaticContact CD1-CZ 3.95Å; F76-Y639 HydrophobicContact CE1-CE1 4.05Å; E77-Y639 HydrophobicContact CB-CD2 4.01Å; E77-Y639 HydrophobicContact CB-CE2 3.61Å; E77-Y639 HydrophobicContact CG-CD2 3.88Å; E77-Y639 HydrophobicContact CG-CE2 4.01Å; L80-Y639 HydrophobicContact CD1-CD1 3.69Å; L80-Y639 HydrophobicContact CD1-CE1 4.01Å; L80-Y639 HydrophobicContact CD1-CG 4.25Å; H635-Y639 PolarHBondContact ND1-O 3.19Å; I636-Y639 PolarHBondContact O-N 2.87Å; G637-Y639 PolarHBondContact O-N 3.48Å; G637-Y639 VanDerWaalsContact O-N 3.15Å; Y639-Y641 PolarHBondContact O-N 3.16Å; Y639-A642 HydrophobicContact CD1-CB 4.18Å; Y639-A642 WeakPolarHBondContact O-CB 3.46Å; Y639-A642 PolarHBondContact O-N 3.33Å
640Q82.2Confident79.8Confident57 Ų5726.6 Ų26.627%0.26616%0.158SC..G310 helixtrans-55.6-24.7171.1-70.4179.8-2.100112.6H635 G637 G638H635-Q640 WeakPolarHBondContact O-CG 3.32Å; G637-Q640 WeakPolarHBondContact O-CB 3.36Å; G637-Q640 WeakPolarHBondContact O-CG 3.45Å; G637-Q640 PolarHBondContact O-N 3.18Å; G637-Q640 VanDerWaalsContact O-N 3.12Å; G638-Q640 PolarHBondContact O-N 3.47Å
641Y78Confident80.5Confident34 Ų3427 Ų2713%0.13316%0.16CC..G310 helixtrans-102.2-2.1-178.1-46-61000113Y300 F629 G638 Y639 T643 T644 T645Y300-Y641 HydrophobicContact CD2-CE2 4.05Å; Y300-Y641 AromaticContact CD2-CZ 3.83Å; Y300-Y641 WeakPolarHBondContact CD2-OH 3.3Å; F629-Y641 HydrophobicContact CE1-CE1 4.39Å; G638-Y641 WeakPolarHBondContact O-CD2 3.29Å; G638-Y641 PolarHBondContact O-N 3.39Å; Y639-Y641 PolarHBondContact O-N 3.16Å; Y641-T643 PolarHBondContact O-N 3.25Å; Y641-T644 PolarHBondContact O-N 3.27Å; Y641-T645 WeakPolarHBondContact O-CB 3.49Å; Y641-T645 PolarHBondContact O-N 2.63Å; Y641-T645 PolarHBondContact O-OG1 2.76Å
642A84.9Confident81.1Confident0 Ų025 Ų250%014%0.139CC..Hα-helixtrans-60.7-49.7-173.700000111.7L40 L80 W89 Y639 T644 T645 F646L40-A642 HydrophobicContact CD2-CB 3.63Å; L80-A642 HydrophobicContact CD1-CB 3.74Å; W89-A642 HydrophobicContact CH2-CB 4.35Å; W89-A642 HydrophobicContact CZ3-CB 4.26Å; W89-A642 WeakPolarHBondContact CZ3-O 3.39Å; Y639-A642 HydrophobicContact CD1-CB 4.18Å; Y639-A642 WeakPolarHBondContact O-CB 3.46Å; Y639-A642 PolarHBondContact O-N 3.33Å; A642-T644 VanDerWaalsContact C-N 3.34Å; A642-T644 PolarHBondContact O-N 3.47Å; A642-T645 PolarHBondContact O-N 3.27Å; A642-F646 WeakPolarHBondContact O-CB 3.31Å; A642-F646 PolarHBondContact O-N 3.38Å
643T80.7Confident81.5Confident37 Ų3725 Ų2523%0.22714%0.139CC..Hα-helixtrans-59.7-46.1177.6-49.50000111.2L42 Y641 F646 C647L42-T643 HydrophobicContact CD2-CG2 4.5Å; Y641-T643 PolarHBondContact O-N 3.25Å; T643-F646 PolarHBondContact O-N 3.47Å; T643-C647 WeakPolarHBondContact O-CB 3.49Å; T643-C647 PolarHBondContact O-N 2.87Å; T643-C647 PolarHBondContact O-SG 3.4Å
644T74.1Confident81.4Confident10 Ų1020.1 Ų20.16%0.06111%0.108CC..Hα-helixtrans-63.1-44.1179.8-47.50000112.4S297 V628 Y641 A642 C647 G648S297-T644 VanDerWaalsContact CA-CG2 3.48Å; V628-T644 HydrophobicContact CG1-CG2 3.74Å; V628-T644 PolarHBondContact O-OG1 3.46Å; Y641-T644 PolarHBondContact O-N 3.27Å; A642-T644 VanDerWaalsContact C-N 3.34Å; A642-T644 PolarHBondContact O-N 3.47Å; T644-C647 PolarHBondContact O-N 2.67Å; T644-G648 PolarHBondContact O-N 2.67Å
645T82.8Confident81.4Confident14 Ų1419.1 Ų19.19%0.08610%0.103CC..Hα-helixtrans-65.2-44177.5-59.30000110.5L80 L86 W89 Y641 A642 G648 I649L80-T645 HydrophobicContact CD2-CG2 4.41Å; L86-T645 HydrophobicContact CB-CG2 4.49Å; W89-T645 HydrophobicContact CE3-CG2 3.65Å; W89-T645 HydrophobicContact CZ3-CG2 4.27Å; Y641-T645 WeakPolarHBondContact O-CB 3.49Å; Y641-T645 PolarHBondContact O-N 2.63Å; Y641-T645 PolarHBondContact O-OG1 2.76Å; A642-T645 PolarHBondContact O-N 3.27Å; T645-G648 CarbonylContact O-C 3.54Å; T645-G648 VanDerWaalsContact O-CA 3.28Å; T645-G648 WeakPolarHBondContact O-CA 3.37Å; T645-G648 PolarHBondContact O-N 2.78Å; T645-I649 WeakPolarHBondContact O-CG1 3.46Å; T645-I649 PolarHBondContact O-N 3.35Å
646F84.6Confident81.2Confident4 Ų420.5 Ų20.52%0.01811%0.113CC..Hα-helixtrans-63.5-44.6176.6-174.2-99.7000112.5L42 I56 W89 A642 T643 G648 I649 E650 F657L42-F646 HydrophobicContact CD1-CB 4.26Å; L42-F646 HydrophobicContact CD1-CD1 4.01Å; L42-F646 HydrophobicContact CD1-CD2 3.99Å; L42-F646 HydrophobicContact CD1-CE1 4.4Å; L42-F646 HydrophobicContact CD1-CE2 4.4Å; L42-F646 HydrophobicContact CD1-CG 3.79Å; L42-F646 HydrophobicContact CD2-CB 4.1Å; L42-F646 HydrophobicContact CD2-CD1 3.83Å; L42-F646 HydrophobicContact CD2-CG 4.07Å; L42-F646 HydrophobicContact CG-CD1 4.33Å; I56-F646 HydrophobicContact CD1-CE2 3.43Å; I56-F646 VanDerWaalsContact CD1-CE2 3.43Å; I56-F646 HydrophobicContact CD1-CZ 3.46Å; I56-F646 VanDerWaalsContact CD1-CZ 3.46Å; I56-F646 HydrophobicContact CG1-CE2 3.75Å; I56-F646 HydrophobicContact CG1-CZ 4.28Å; I56-F646 HydrophobicContact CG2-CE2 4.3Å; W89-F646 HydrophobicContact CH2-CB 3.81Å; W89-F646 HydrophobicContact CH2-CD2 4.3Å; W89-F646 HydrophobicContact CH2-CG 4.45Å; W89-F646 HydrophobicContact CZ2-CB 4.35Å; W89-F646 AromaticContact CZ2-CD2 3.98Å; W89-F646 HydrophobicContact CZ2-CD2 3.98Å; W89-F646 HydrophobicContact CZ3-CB 4.05Å; A642-F646 WeakPolarHBondContact O-CB 3.31Å; A642-F646 PolarHBondContact O-N 3.38Å; T643-F646 PolarHBondContact O-N 3.47Å; F646-G648 PolarHBondContact O-N 3.16Å; F646-I649 HydrophobicContact CD2-CD1 4.46Å; F646-I649 WeakPolarHBondContact O-CB 3.45Å; F646-I649 PolarHBondContact O-N 2.91Å; F646-E650 HydrophobicContact CE1-CG 4.18Å; F646-E650 HydrophobicContact CZ-CG 4.43Å; F646-E650 PolarHBondContact O-N 3.46Å; F646-F657 HydrophobicContact CZ-CD2 4.42Å
647C77.6Confident81.2Confident37 Ų3719.4 Ų19.425%0.2511%0.107CC..Hα-helixtrans-57.6-34.7170.5-69.90000111.4T643 T644 E650 S651T643-C647 WeakPolarHBondContact O-CB 3.49Å; T643-C647 PolarHBondContact O-N 2.87Å; T643-C647 PolarHBondContact O-SG 3.4Å; T644-C647 PolarHBondContact O-N 2.67Å; C647-E650 PolarHBondContact O-N 2.93Å; C647-S651 WeakPolarHBondContact O-CB 3.35Å; C647-S651 PolarHBondContact O-N 3.42Å; C647-S651 PolarHBondContact O-OG 3.28Å
648G78.6Confident81.1Confident2 Ų219.2 Ų19.22%0.02110%0.103CC..Hα-helixtrans-61.7-39.1171.100000113.5T644 T645 F646 S651 R652 L653T644-G648 PolarHBondContact O-N 2.67Å; T645-G648 CarbonylContact O-C 3.54Å; T645-G648 VanDerWaalsContact O-CA 3.28Å; T645-G648 WeakPolarHBondContact O-CA 3.37Å; T645-G648 PolarHBondContact O-N 2.78Å; F646-G648 PolarHBondContact O-N 3.16Å; G648-S651 WeakPolarHBondContact CA-OG 3.07Å; G648-S651 PolarHBondContact O-N 3.44Å; G648-R652 WeakPolarHBondContact O-CA 3.49Å; G648-R652 VanDerWaalsContact O-CB 3.24Å; G648-R652 WeakPolarHBondContact O-CB 3.31Å; G648-R652 PolarHBondContact O-N 3.41Å; G648-L653 PolarHBondContact O-N 2.83Å
649I85.4Confident80.9Confident0 Ų023.6 Ų23.60%012%0.122CC..Iπ-helixtrans-62.6-45.1177.1-62.8177.1000109.9L86 W89 T90 L93 T645 F646 L653 G654 L655L86-I649 HydrophobicContact CD1-CB 4.35Å; L86-I649 HydrophobicContact CD1-CG1 3.63Å; L86-I649 VanDerWaalsContact CD1-N 3.32Å; W89-I649 HydrophobicContact CB-CD1 4.03Å; W89-I649 HydrophobicContact CD2-CD1 3.89Å; W89-I649 HydrophobicContact CE3-CD1 4.39Å; W89-I649 HydrophobicContact CG-CD1 3.72Å; T90-I649 WeakPolarHBondContact OG1-CG1 3.34Å; L93-I649 HydrophobicContact CD1-CD1 4.15Å; L93-I649 HydrophobicContact CD1-CG2 4.38Å; T645-I649 WeakPolarHBondContact O-CG1 3.46Å; T645-I649 PolarHBondContact O-N 3.35Å; F646-I649 HydrophobicContact CD2-CD1 4.46Å; F646-I649 WeakPolarHBondContact O-CB 3.45Å; F646-I649 PolarHBondContact O-N 2.91Å; I649-L653 CarbonylContact O-C 3.6Å; I649-L653 WeakPolarHBondContact O-CA 3.42Å; I649-L653 WeakPolarHBondContact O-CB 3.11Å; I649-L653 PolarHBondContact O-N 3.09Å; I649-G654 PolarHBondContact O-N 3.3Å; I649-G654 VanDerWaalsContact O-N 3.13Å; I649-L655 HydrophobicContact CG2-CB 3.84Å; I649-L655 HydrophobicContact CG2-CD1 4.1Å; I649-L655 PolarHBondContact O-N 3.32Å
650E79.8Confident80.3Confident25 Ų2530 Ų3012%0.11715%0.147CC..Iπ-helixtrans-67.7-48.7176.6-59.3-168130.900111.5R188 F646 C647 G654 K659R188-E650 WeakPolarHBondContact CD-O 3.43Å; F646-E650 HydrophobicContact CE1-CG 4.18Å; F646-E650 HydrophobicContact CZ-CG 4.43Å; F646-E650 PolarHBondContact O-N 3.46Å; C647-E650 PolarHBondContact O-N 2.93Å; E650-G654 VanDerWaalsContact O-CA 3.28Å; E650-G654 WeakPolarHBondContact O-CA 3.44Å; E650-G654 PolarHBondContact O-N 3.29Å; E650-K659 VanDerWaalsContact OE1-CE 3.22Å; E650-K659 WeakPolarHBondContact OE1-CE 3.2Å; E650-K659 IonicContact OE1-NZ 3.68Å; E650-K659 IonicContact OE2-NZ 3.56Å; E650-K659 PolarHBondContact OE2-NZ 3.27Å
651S71.5Confident79.8Confident32 Ų3229.8 Ų29.822%0.22415%0.15CC..Iπ-helixtrans-81.2-35.6-170.663.30000114.6R188 C647 G648R188-S651 VanDerWaalsContact CD-O 3.29Å; R188-S651 WeakPolarHBondContact CD-O 3.23Å; R188-S651 PolarHBondContact NH1-O 2.87Å; C647-S651 WeakPolarHBondContact O-CB 3.35Å; C647-S651 PolarHBondContact O-N 3.42Å; C647-S651 PolarHBondContact O-OG 3.28Å; G648-S651 WeakPolarHBondContact CA-OG 3.07Å; G648-S651 PolarHBondContact O-N 3.44Å
652R76Confident78.9Confident88 Ų8835.1 Ų35.133%0.33218%0.18SC..Iπ-helixtrans-101-35.4-178.1-67.6-173.6165.4149.84.2114.2L86 R188 E294 S297 G648L86-R652 HydrophobicContact CD2-CB 4.28Å; R188-R652 VanDerWaalsContact NH1-CA 3.29Å; R188-R652 PolarHBondContact NH1-O 3.2Å; R188-R652 PolarHBondContact NH2-O 2.99Å; E294-R652 IonicContact OE2-CZ 2.79Å; E294-R652 IonicContact OE2-NE 3.72Å; E294-R652 PolarHBondContact OE2-NE 3.21Å; E294-R652 IonicContact OE2-NH2 3.9Å; E294-R652 PolarHBondContact OE2-NH2 3.47Å; S297-R652 PolarHBondContact OG-NH1 2.61Å; G648-R652 WeakPolarHBondContact O-CA 3.49Å; G648-R652 VanDerWaalsContact O-CB 3.24Å; G648-R652 WeakPolarHBondContact O-CB 3.31Å; G648-R652 PolarHBondContact O-N 3.41Å
653L84Confident77Confident5 Ų545.7 Ų45.73%0.02624%0.237CC..Iπ-helixtrans-98.7-12178.1-56.1-179.4000113.3L86 Y87 T90 I150 N154 G648 I649 L655L86-L653 HydrophobicContact CD1-CD1 4.26Å; L86-L653 HydrophobicContact CD2-CG 4.46Å; L86-L653 HydrophobicContact CG-CD1 4.11Å; L86-L653 HydrophobicContact CG-CG 4.45Å; Y87-L653 HydrophobicContact CD1-CD1 4.46Å; Y87-L653 HydrophobicContact CD1-CD2 4.48Å; Y87-L653 HydrophobicContact CE1-CD2 3.81Å; T90-L653 HydrophobicContact CG2-CD1 3.78Å; T90-L653 WeakPolarHBondContact OG1-CD1 3.31Å; I150-L653 HydrophobicContact CG2-CD2 4.39Å; N154-L653 PolarHBondContact ND2-O 3.38Å; N154-L653 PolarHBondContact OD1-O 3.44Å; G648-L653 PolarHBondContact O-N 2.83Å; I649-L653 CarbonylContact O-C 3.6Å; I649-L653 WeakPolarHBondContact O-CA 3.42Å; I649-L653 WeakPolarHBondContact O-CB 3.11Å; I649-L653 PolarHBondContact O-N 3.09Å; L653-L655 VanDerWaalsContact C-N 3.26Å; L653-L655 HydrophobicContact CB-CD1 4.26Å; L653-L655 HydrophobicContact CB-CG 4.37Å; L653-L655 PolarHBondContact O-N 3.39Å
654G79.7Confident76.8Confident7 Ų746.2 Ų46.27%0.07224%0.238CC..  trans75.415175.300000114.3R188 I649 E650 C656R188-G654 VanDerWaalsContact CZ-CA 3.41Å; R188-G654 VanDerWaalsContact CZ-N 3.29Å; I649-G654 PolarHBondContact O-N 3.3Å; I649-G654 VanDerWaalsContact O-N 3.13Å; E650-G654 VanDerWaalsContact O-CA 3.28Å; E650-G654 WeakPolarHBondContact O-CA 3.44Å; E650-G654 PolarHBondContact O-N 3.29Å; G654-C656 PolarHBondContact O-N 3.12Å
655L85.5Confident77Confident4 Ų448.1 Ų48.12%0.02125%0.247CC..  trans-91.476.4-178.3-64.2170.9000109.6T90 F94 L111 T114 I150 I649 L653 F657T90-L655 HydrophobicContact CG2-CD1 3.34Å; F94-L655 HydrophobicContact CE2-CD1 3.79Å; F94-L655 HydrophobicContact CE2-CD2 4.42Å; F94-L655 HydrophobicContact CZ-CD1 4.29Å; F94-L655 HydrophobicContact CZ-CD2 4.19Å; L111-L655 HydrophobicContact CD2-CD2 3.76Å; T114-L655 HydrophobicContact CG2-CD2 3.98Å; I150-L655 HydrophobicContact CD1-CD1 4.18Å; I150-L655 HydrophobicContact CD1-CD2 4.32Å; I150-L655 HydrophobicContact CG1-CD1 4.4Å; I649-L655 HydrophobicContact CG2-CB 3.84Å; I649-L655 HydrophobicContact CG2-CD1 4.1Å; I649-L655 PolarHBondContact O-N 3.32Å; L653-L655 VanDerWaalsContact C-N 3.26Å; L653-L655 HydrophobicContact CB-CD1 4.26Å; L653-L655 HydrophobicContact CB-CG 4.37Å; L653-L655 PolarHBondContact O-N 3.39Å; L655-F657 HydrophobicContact CB-CE2 4.31Å; L655-F657 WeakPolarHBondContact O-CD2 3.41Å
656C82.8Confident76.7Confident36 Ų3649.9 Ų49.924%0.24326%0.256CS..PPolyproline II helixtrans-85.4120.7178.5-60.40000110.6T114 L115 V116 G654T114-C656 CarbonylContact C-O 3.37Å; T114-C656 WeakPolarHBondContact CA-O 3.22Å; L115-C656 HydrophobicContact CD1-CB 4.37Å; L115-C656 PolarHBondContact N-O 3.41Å; V116-C656 HydrophobicContact CG2-CB 4.49Å; G654-C656 PolarHBondContact O-N 3.12Å
657F83.2Confident76.2Confident1 Ų152.6 Ų52.60%0.00427%0.27CS..PPolyproline II helixtrans-95.2145.5177.1-65.6-86.8000111I56 L93 M113 T114 F646 L655 K659I56-F657 HydrophobicContact CD1-CD2 4.39Å; L93-F657 HydrophobicContact CD1-CE2 4.03Å; L93-F657 HydrophobicContact CD1-CZ 4.14Å; M113-F657 HydrophobicContact CB-CD1 4.46Å; M113-F657 HydrophobicContact CB-CE1 4.41Å; T114-F657 HydrophobicContact CG2-CE1 4.33Å; F646-F657 HydrophobicContact CZ-CD2 4.42Å; L655-F657 HydrophobicContact CB-CE2 4.31Å; L655-F657 WeakPolarHBondContact O-CD2 3.41Å; F657-K659 PolarHBondContact O-N 2.63Å
658P81.3Confident76.1Confident11 Ų1153.6 Ų53.67%0.07127%0.271CS..PPolyproline II helixtrans-53.9122.6171.9-23.229.6000111.6N49 S52 M113 L115N49-P658 HydrophobicContact CB-CB 4.1Å; N49-P658 VanDerWaalsContact CB-O 3.29Å; N49-P658 WeakPolarHBondContact CB-O 3.12Å; S52-P658 WeakPolarHBondContact CB-O 3.25Å; S52-P658 WeakPolarHBondContact OG-CD 3.42Å; S52-P658 PolarHBondContact OG-O 2.53Å; S52-P658 VanDerWaalsContact OG-O 3.13Å; M113-P658 WeakPolarHBondContact O-CD 3.22Å; L115-P658 HydrophobicContact CD2-CB 4.08Å; L115-P658 HydrophobicContact CD2-CG 3.76Å; L115-P658 HydrophobicContact CG-CB 4.49Å; L115-P658 HydrophobicContact CG-CG 4.03Å
659K77.3Confident75.9Confident91 Ų9157.1 Ų57.140%0.39629%0.288SS..  trans-83.7-27.6-178.6-64.3-167.6179-176.50113.5F43 Y48 N49 E650 F657F43-K659 HydrophobicContact CD1-CB 4.45Å; F43-K659 WeakPolarHBondContact CD1-O 3.3Å; F43-K659 HydrophobicContact CE1-CG 4.43Å; Y48-K659 WeakPolarHBondContact CA-O 3.42Å; N49-K659 PolarHBondContact N-O 3.49Å; E650-K659 VanDerWaalsContact OE1-CE 3.22Å; E650-K659 WeakPolarHBondContact OE1-CE 3.2Å; E650-K659 IonicContact OE1-NZ 3.68Å; E650-K659 IonicContact OE2-NZ 3.56Å; E650-K659 PolarHBondContact OE2-NZ 3.27Å; F657-K659 PolarHBondContact O-N 2.63Å
660Y76.3Confident75.3Confident134 Ų13461.1 Ų61.153%0.52531%0.308SS..SBendtrans-136165-177.150.1-91.1000110.4L662Y660-L662 HydrophobicContact CD2-CD2 4.2Å; Y660-L662 HydrophobicContact CD2-CG 4.12Å; Y660-L662 HydrophobicContact CE2-CD1 4.39Å; Y660-L662 HydrophobicContact CE2-CD2 3.73Å; Y660-L662 HydrophobicContact CE2-CG 3.78Å
661T70.8Confident74.9Confident54 Ų5463.9 Ų63.933%0.33132%0.323SS..  trans-99.4123.5170-48.30000107.6N47 Y48 N663N47-T661 PolarHBondContact ND2-O 3.46Å; N47-T661 PolarHBondContact OD1-N 3.14Å; N47-T661 VanDerWaalsContact OD1-N 3.1Å; N47-T661 PolarHBondContact OD1-O 3.01Å; Y48-T661 PolarHBondContact O-OG1 3.48Å; T661-N663 PolarHBondContact O-N 3.31Å
662L59.9Low75.2Confident145 Ų14566.6 Ų66.676%0.75933%0.331SS*.  trans-76.4114.6168.3-72.4165.2000106.5Y660Y660-L662 HydrophobicContact CD2-CD2 4.2Å; Y660-L662 HydrophobicContact CD2-CG 4.12Å; Y660-L662 HydrophobicContact CE2-CD1 4.39Å; Y660-L662 HydrophobicContact CE2-CD2 3.73Å; Y660-L662 HydrophobicContact CE2-CG 3.78Å
663N45.7Very low75.1Confident223 Ų22364.6 Ų64.6100%1.19333%0.331SS*.  trans-74.70170.4-76.4-15.2000111T661T661-N663 PolarHBondContact O-N 3.31Å

Retrieved 663 of 663 residues in 187.8 ms (Link to these results)

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