A0A087X446_POEFO Loading...

Clathrin interactor 1a

AlphaFold DB , UniProt , Accession A0A087X446, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 620 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.8Very low61.9Low235 Ų235124.9 Ų124.9100%1.15860%0.603SS**  0136.60-61.9167.3-174.800107.2
2L52.2Low62.2Low154 Ų154120.2 Ų120.281%0.80658%0.583SS**  trans-76.2131.1167.3-83.384.7000108.4M4 V7L2-M4 PolarHBondContact O-N 2.77Å; L2-M4 VanDerWaalsContact O-N 3.16Å; L2-V7 HydrophobicContact CB-CG2 4.12Å; L2-V7 HydrophobicContact CD2-CG2 4.23Å
3N60.6Low62.1Low83 Ų83119.6 Ų119.644%0.44458%0.576SS.*  trans-65.6114.8178.4-78.3-8.5000109.7W5 K6 V7N3-W5 HydrophobicContact CB-CD2 4.17Å; N3-W5 HydrophobicContact CB-CG 4.23Å; N3-W5 HydrophobicContact CB-CZ2 4.27Å; N3-W5 WeakPolarHBondContact ND2-CZ2 3.34Å; N3-W5 PolarHBondContact ND2-NE1 3.37Å; N3-W5 PolarHBondContact O-N 2.69Å; N3-K6 HydrophobicContact CB-CB 3.92Å; N3-K6 CarbonylContact O-C 3.59Å; N3-K6 WeakPolarHBondContact O-CA 3.46Å; N3-K6 WeakPolarHBondContact O-CB 3.44Å; N3-K6 PolarHBondContact O-N 3.37Å; N3-V7 PolarHBondContact O-N 2.86Å
4M58.9Low61.6Low146 Ų146114.9 Ų114.972%0.71957%0.566SS**Hα-helixtrans-64.3-26.3-175.4-141.7159.468.200112.5L2 R8L2-M4 PolarHBondContact O-N 2.77Å; L2-M4 VanDerWaalsContact O-N 3.16Å; M4-R8 WeakPolarHBondContact O-CG 3.38Å; M4-R8 PolarHBondContact O-N 3.1Å
5W63.7Low61.5Low147 Ų147110.4 Ų110.456%0.55755%0.548SS*.Hα-helixtrans-63.5-41.5167.264.4-104.4000112.2N3 R8 E9N3-W5 HydrophobicContact CB-CD2 4.17Å; N3-W5 HydrophobicContact CB-CG 4.23Å; N3-W5 HydrophobicContact CB-CZ2 4.27Å; N3-W5 WeakPolarHBondContact ND2-CZ2 3.34Å; N3-W5 PolarHBondContact ND2-NE1 3.37Å; N3-W5 PolarHBondContact O-N 2.69Å; W5-R8 PolarHBondContact O-N 3.47Å; W5-E9 WeakPolarHBondContact CZ3-OE2 3.21Å; W5-E9 WeakPolarHBondContact O-CB 3.46Å; W5-E9 PolarHBondContact O-N 3.01Å
6K59Low61.4Low112 Ų112104.8 Ų104.849%0.48752%0.52SS..Hα-helixtrans-75.3-29.4-179.8-164.4145.9-162.4158.80112.5N3 L10N3-K6 HydrophobicContact CB-CB 3.92Å; N3-K6 CarbonylContact O-C 3.59Å; N3-K6 WeakPolarHBondContact O-CA 3.46Å; N3-K6 WeakPolarHBondContact O-CB 3.44Å; N3-K6 PolarHBondContact O-N 3.37Å; K6-L10 VanDerWaalsContact O-CB 3.3Å; K6-L10 WeakPolarHBondContact O-CB 3.49Å; K6-L10 PolarHBondContact O-N 2.97Å
7V67.3Low61Low65 Ų65105.3 Ų105.339%0.39453%0.53SS..Hα-helixtrans-66.7-43.6168.5178.80000110.3L2 N3 L10 V11L2-V7 HydrophobicContact CB-CG2 4.12Å; L2-V7 HydrophobicContact CD2-CG2 4.23Å; N3-V7 PolarHBondContact O-N 2.86Å; V7-L10 PolarHBondContact O-N 2.62Å; V7-V11 WeakPolarHBondContact O-CB 3.46Å; V7-V11 VanDerWaalsContact O-CG2 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.36Å; V7-V11 PolarHBondContact O-N 3.28Å
8R68.4Low60.2Low159 Ų159105.9 Ų105.960%0.654%0.54SS*.Hα-helixtrans-62.6-45.9172.6-75.9-178.7176.2-170.1-1.8112.3M4 W5 L10 V11 D12M4-R8 WeakPolarHBondContact O-CG 3.38Å; M4-R8 PolarHBondContact O-N 3.1Å; W5-R8 PolarHBondContact O-N 3.47Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 2.79Å; R8-V11 CarbonylContact O-C 3.5Å; R8-V11 PolarHBondContact O-N 3.26Å; R8-V11 VanDerWaalsContact O-N 3.14Å; R8-D12 PolarHBondContact O-N 3.46Å
9E69.6Low60.2Low65 Ų65106.4 Ų106.430%0.30454%0.541SS..Hα-helixtrans-54.7-45.3174.1-171.3-156.5160.200111.5W5 K13W5-E9 WeakPolarHBondContact CZ3-OE2 3.21Å; W5-E9 WeakPolarHBondContact O-CB 3.46Å; W5-E9 PolarHBondContact O-N 3.01Å; E9-K13 HydrophobicContact CG-CD 4.21Å; E9-K13 VanDerWaalsContact O-CB 3.31Å; E9-K13 WeakPolarHBondContact O-CB 3.11Å; E9-K13 VanDerWaalsContact O-CG 3.27Å; E9-K13 WeakPolarHBondContact O-CG 3.11Å; E9-K13 PolarHBondContact O-N 3.17Å; E9-K13 IonicContact OE1-NZ 3Å; E9-K13 PolarHBondContact OE1-NZ 3.02Å
10L65.3Low60.5Low123 Ų123108.3 Ų108.364%0.64455%0.553SS**Hα-helixtrans-69.9-35.1178.3-156.277.4000112.2K6 V7 R8 A14K6-L10 VanDerWaalsContact O-CB 3.3Å; K6-L10 WeakPolarHBondContact O-CB 3.49Å; K6-L10 PolarHBondContact O-N 2.97Å; V7-L10 PolarHBondContact O-N 2.62Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 2.79Å; L10-A14 WeakPolarHBondContact O-CB 3.33Å; L10-A14 PolarHBondContact O-N 3.32Å
11V68.9Low60.8Low85 Ų85106.2 Ų106.252%0.51554%0.538SS..Hα-helixtrans-71.8-39.8175.4167.70000111.8V7 R8 T15V7-V11 WeakPolarHBondContact O-CB 3.46Å; V7-V11 VanDerWaalsContact O-CG2 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.36Å; V7-V11 PolarHBondContact O-N 3.28Å; R8-V11 CarbonylContact O-C 3.5Å; R8-V11 PolarHBondContact O-N 3.26Å; R8-V11 VanDerWaalsContact O-N 3.14Å; V11-T15 VanDerWaalsContact O-CB 3.26Å; V11-T15 WeakPolarHBondContact O-CB 3.18Å; V11-T15 PolarHBondContact O-N 3.01Å; V11-T15 PolarHBondContact O-OG1 2.97Å
12D65.4Low62.5Low68 Ų6896.5 Ų96.536%0.36449%0.494SS..Hα-helixtrans-64.9-44.6172.8-104.6-59.4000110.4R8 T15 N16 R29R8-D12 PolarHBondContact O-N 3.46Å; D12-T15 CarbonylContact O-C 3.58Å; D12-T15 PolarHBondContact O-N 2.93Å; D12-N16 WeakPolarHBondContact O-CB 3.12Å; D12-N16 PolarHBondContact O-N 3.18Å; D12-R29 IonicContact OD1-CZ 3.3Å; D12-R29 IonicContact OD1-NE 3.5Å; D12-R29 IonicContact OD1-NH2 2.68Å; D12-R29 PolarHBondContact OD1-NH2 2.87Å
13K61.7Low64Low113 Ų11395.5 Ų95.549%0.49149%0.485SS..Hα-helixtrans-64-42.2175.1-74.4174.5178.1178.70112.7E9 N16 V17E9-K13 HydrophobicContact CG-CD 4.21Å; E9-K13 VanDerWaalsContact O-CB 3.31Å; E9-K13 WeakPolarHBondContact O-CB 3.11Å; E9-K13 VanDerWaalsContact O-CG 3.27Å; E9-K13 WeakPolarHBondContact O-CG 3.11Å; E9-K13 PolarHBondContact O-N 3.17Å; E9-K13 IonicContact OE1-NZ 3Å; E9-K13 PolarHBondContact OE1-NZ 3.02Å; K13-N16 WeakPolarHBondContact O-CB 3.45Å; K13-N16 PolarHBondContact O-N 3.16Å; K13-V17 WeakPolarHBondContact O-CG2 3.2Å; K13-V17 PolarHBondContact O-N 2.96Å
14A54.7Low65.3Low53 Ų5392 Ų9244%0.43847%0.467SS..Hα-helixtrans-64.2-42.9174.100000111.5L10 N16 V17 V18L10-A14 WeakPolarHBondContact O-CB 3.33Å; L10-A14 PolarHBondContact O-N 3.32Å; A14-N16 PolarHBondContact O-N 3.09Å; A14-V17 PolarHBondContact O-N 3.48Å; A14-V18 WeakPolarHBondContact O-CB 3.22Å; A14-V18 VanDerWaalsContact O-CG2 3.25Å; A14-V18 WeakPolarHBondContact O-CG2 3.26Å; A14-V18 PolarHBondContact O-N 2.97Å
15T60.7Low66.7Low48 Ų4886.8 Ų86.829%0.29444%0.441SS..Hα-helixtrans-62.1-34.9172.8-55.40000111.1V11 D12 V18 M19V11-T15 VanDerWaalsContact O-CB 3.26Å; V11-T15 WeakPolarHBondContact O-CB 3.18Å; V11-T15 PolarHBondContact O-N 3.01Å; V11-T15 PolarHBondContact O-OG1 2.97Å; D12-T15 CarbonylContact O-C 3.58Å; D12-T15 PolarHBondContact O-N 2.93Å; T15-V18 PolarHBondContact O-N 3.13Å; T15-M19 HydrophobicContact CG2-CG 4.17Å; T15-M19 VanDerWaalsContact O-CB 3.29Å; T15-M19 WeakPolarHBondContact O-CB 3.19Å; T15-M19 WeakPolarHBondContact O-CG 3.48Å; T15-M19 PolarHBondContact O-N 3.28Å
16N59.5Low67.8Low20 Ų2081.5 Ų81.511%0.10743%0.426CS..Hα-helixtrans-68.3-38.7178.9-157.294.9000112.4D12 K13 A14 N20 Y21 S26D12-N16 WeakPolarHBondContact O-CB 3.12Å; D12-N16 PolarHBondContact O-N 3.18Å; K13-N16 WeakPolarHBondContact O-CB 3.45Å; K13-N16 PolarHBondContact O-N 3.16Å; A14-N16 PolarHBondContact O-N 3.09Å; N16-N20 PolarHBondContact O-N 3.22Å; N16-N20 VanDerWaalsContact O-N 3.11Å; N16-Y21 HydrophobicContact CB-CD2 4.43Å; N16-Y21 PolarHBondContact O-N 3.44Å; N16-Y21 VanDerWaalsContact O-N 3.15Å; N16-Y21 WeakPolarHBondContact OD1-CD2 3.39Å; N16-S26 WeakPolarHBondContact OD1-CB 3.35Å; N16-S26 PolarHBondContact OD1-OG 3.31Å
17V53.9Low69.3Low114 Ų11478.3 Ų78.369%0.69141%0.412SS*.Hα-helixtrans-71.5-44.5172.9175.30000111.1K13 A14 M19 N20K13-V17 WeakPolarHBondContact O-CG2 3.2Å; K13-V17 PolarHBondContact O-N 2.96Å; A14-V17 PolarHBondContact O-N 3.48Å; V17-M19 VanDerWaalsContact C-N 3.32Å; V17-M19 PolarHBondContact O-N 2.95Å; V17-N20 PolarHBondContact O-N 3.27Å; V17-N20 VanDerWaalsContact O-N 3.08Å
18V46.8Very low70.5Confident117 Ų11775.2 Ų75.271%0.70939%0.393SS*.Hα-helixtrans-64.9-32.9-179.9166.60000112.8A14 T15A14-V18 WeakPolarHBondContact O-CB 3.22Å; A14-V18 VanDerWaalsContact O-CG2 3.25Å; A14-V18 WeakPolarHBondContact O-CG2 3.26Å; A14-V18 PolarHBondContact O-N 2.97Å; T15-V18 PolarHBondContact O-N 3.13Å
19M61.1Low71.5Confident114 Ų11469.1 Ų69.156%0.56237%0.371SS*.THydrogen-bonded Turntrans-92.80.1174.5-64.9-69.6175.900113.3T15 V17 Y21T15-M19 HydrophobicContact CG2-CG 4.17Å; T15-M19 VanDerWaalsContact O-CB 3.29Å; T15-M19 WeakPolarHBondContact O-CB 3.19Å; T15-M19 WeakPolarHBondContact O-CG 3.48Å; T15-M19 PolarHBondContact O-N 3.28Å; V17-M19 VanDerWaalsContact C-N 3.32Å; V17-M19 PolarHBondContact O-N 2.95Å; M19-Y21 VanDerWaalsContact C-N 3.28Å; M19-Y21 HydrophobicContact CB-CD2 3.84Å; M19-Y21 HydrophobicContact CB-CE1 4.21Å; M19-Y21 HydrophobicContact CB-CE2 3.35Å; M19-Y21 HydrophobicContact CB-CG 4.39Å; M19-Y21 HydrophobicContact CG-CE2 3.92Å; M19-Y21 PolarHBondContact O-N 2.84Å
20N64.8Low72.4Confident144 Ų14471.2 Ų71.277%0.7738%0.38SS*.THydrogen-bonded Turntrans51.139.2177.9-152.9105.8000114.3N16 V17N16-N20 PolarHBondContact O-N 3.22Å; N16-N20 VanDerWaalsContact O-N 3.11Å; V17-N20 PolarHBondContact O-N 3.27Å; V17-N20 VanDerWaalsContact O-N 3.08Å
21Y67.9Low73.6Confident65 Ų6565.4 Ų65.426%0.25535%0.35SS..  trans-67.9147.4179-64.5-60.6000112.1N16 M19 E25 R29 M63N16-Y21 HydrophobicContact CB-CD2 4.43Å; N16-Y21 PolarHBondContact O-N 3.44Å; N16-Y21 VanDerWaalsContact O-N 3.15Å; N16-Y21 WeakPolarHBondContact OD1-CD2 3.39Å; M19-Y21 VanDerWaalsContact C-N 3.28Å; M19-Y21 HydrophobicContact CB-CD2 3.84Å; M19-Y21 HydrophobicContact CB-CE1 4.21Å; M19-Y21 HydrophobicContact CB-CE2 3.35Å; M19-Y21 HydrophobicContact CB-CG 4.39Å; M19-Y21 HydrophobicContact CG-CE2 3.92Å; M19-Y21 PolarHBondContact O-N 2.84Å; Y21-E25 WeakPolarHBondContact CA-OE2 3.45Å; Y21-E25 WeakPolarHBondContact CB-OE2 3.27Å; Y21-E25 WeakPolarHBondContact CD1-OE2 3.41Å; Y21-E25 HydrophobicContact CG-CB 4.47Å; Y21-R29 PolarHBondContact OH-NH1 2.94Å; Y21-M63 HydrophobicContact CD1-CE 3.81Å; Y21-M63 HydrophobicContact CE1-CE 3.64Å
22S81.3Confident74.5Confident32 Ų3261.4 Ų61.422%0.22433%0.326CS..  trans-55.6153170.9166.90000112V24 E25 S26 E59S22-V24 PolarHBondContact O-N 3.15Å; S22-V24 PolarHBondContact OG-N 3.04Å; S22-E25 PolarHBondContact N-OE2 3.13Å; S22-E25 PolarHBondContact O-N 3.02Å; S22-S26 PolarHBondContact O-N 3.07Å; S22-E59 WeakPolarHBondContact CB-OE2 3.38Å; S22-E59 PolarHBondContact OG-OE2 3.46Å
23E84.3Confident75.5Confident133 Ų13359.8 Ų59.862%0.62132%0.317SS*.Hα-helixtrans-53.7-37.2173.3-168.9-161.314200110.7S26 K27E23-S26 WeakPolarHBondContact O-CB 3.36Å; E23-S26 PolarHBondContact O-N 3.32Å; E23-K27 WeakPolarHBondContact O-CG 3.16Å; E23-K27 PolarHBondContact O-N 2.91Å; E23-K27 VanDerWaalsContact O-N 3.08Å; E23-K27 WeakPolarHBondContact OE1-CE 3.48Å; E23-K27 IonicContact OE1-NZ 3.07Å; E23-K27 PolarHBondContact OE1-NZ 2.79Å
24V87.6Confident76.5Confident10 Ų1057 Ų576%0.06131%0.308CS..Hα-helixtrans-74.4-39.3-176.7-162.10000111.4S22 S26 K27 V28 A50 Q56 V60S22-V24 PolarHBondContact O-N 3.15Å; S22-V24 PolarHBondContact OG-N 3.04Å; V24-S26 VanDerWaalsContact C-N 3.32Å; V24-S26 PolarHBondContact O-N 3.45Å; V24-K27 PolarHBondContact O-N 2.88Å; V24-V28 WeakPolarHBondContact O-CG2 3.38Å; V24-V28 PolarHBondContact O-N 2.83Å; V24-A50 HydrophobicContact CG1-CB 3.47Å; V24-A50 VanDerWaalsContact CG1-CB 3.47Å; V24-A50 HydrophobicContact CG2-CB 4.44Å; V24-Q56 HydrophobicContact CG2-CB 4.12Å; V24-Q56 HydrophobicContact CG2-CG 3.89Å; V24-V60 HydrophobicContact CB-CG2 4.46Å; V24-V60 HydrophobicContact CG1-CG2 3.31Å
25E88.1Confident77.9Confident35 Ų3556.6 Ų56.616%0.16430%0.298CS..Hα-helixtrans-62.2-40171.5-71.1-177.3111.700111.8Y21 S22 K27 V28 R29 E59 M63Y21-E25 WeakPolarHBondContact CA-OE2 3.45Å; Y21-E25 WeakPolarHBondContact CB-OE2 3.27Å; Y21-E25 WeakPolarHBondContact CD1-OE2 3.41Å; Y21-E25 HydrophobicContact CG-CB 4.47Å; S22-E25 PolarHBondContact N-OE2 3.13Å; S22-E25 PolarHBondContact O-N 3.02Å; E25-K27 VanDerWaalsContact C-N 3.35Å; E25-K27 PolarHBondContact O-N 3.25Å; E25-V28 PolarHBondContact O-N 2.76Å; E25-R29 WeakPolarHBondContact O-CG 3.43Å; E25-R29 PolarHBondContact O-N 3.08Å; E25-E59 HydrophobicContact CG-CB 3.99Å; E25-M63 HydrophobicContact CB-CE 4.15Å; E25-M63 HydrophobicContact CB-CG 4.29Å; E25-M63 HydrophobicContact CG-CB 4.23Å; E25-M63 HydrophobicContact CG-CE 4.11Å; E25-M63 HydrophobicContact CG-CG 4.45Å; E25-M63 WeakPolarHBondContact OE1-CE 3.49Å
26S87.8Confident78.8Confident37 Ų3758.8 Ų58.826%0.25931%0.313SS..Hα-helixtrans-59.1-44.9174.1-172.10000111.2N16 S22 E23 V24 V28 R29 E30N16-S26 WeakPolarHBondContact OD1-CB 3.35Å; N16-S26 PolarHBondContact OD1-OG 3.31Å; S22-S26 PolarHBondContact O-N 3.07Å; E23-S26 WeakPolarHBondContact O-CB 3.36Å; E23-S26 PolarHBondContact O-N 3.32Å; V24-S26 VanDerWaalsContact C-N 3.32Å; V24-S26 PolarHBondContact O-N 3.45Å; S26-V28 PolarHBondContact O-N 3.02Å; S26-R29 WeakPolarHBondContact O-CB 3.36Å; S26-R29 PolarHBondContact O-N 3.48Å; S26-E30 WeakPolarHBondContact O-CB 3.38Å; S26-E30 PolarHBondContact O-N 2.93Å
27K90.4Very high79.9Confident44 Ų4465.4 Ų65.419%0.19134%0.337CS..Hα-helixtrans-62.6-39.9174.7-70.8179.1-172.2-179.20112.6E23 V24 E25 E30 A31 L43 E46 I47E23-K27 WeakPolarHBondContact O-CG 3.16Å; E23-K27 PolarHBondContact O-N 2.91Å; E23-K27 VanDerWaalsContact O-N 3.08Å; E23-K27 WeakPolarHBondContact OE1-CE 3.48Å; E23-K27 IonicContact OE1-NZ 3.07Å; E23-K27 PolarHBondContact OE1-NZ 2.79Å; V24-K27 PolarHBondContact O-N 2.88Å; E25-K27 VanDerWaalsContact C-N 3.35Å; E25-K27 PolarHBondContact O-N 3.25Å; K27-E30 PolarHBondContact O-N 3.21Å; K27-A31 WeakPolarHBondContact O-CB 3.42Å; K27-A31 PolarHBondContact O-N 3.4Å; K27-L43 HydrophobicContact CB-CD1 3.78Å; K27-L43 HydrophobicContact CD-CD1 4.31Å; K27-L43 HydrophobicContact CG-CD1 3.85Å; K27-E46 WeakPolarHBondContact CE-OE2 3.45Å; K27-E46 IonicContact NZ-OE2 2.68Å; K27-E46 PolarHBondContact NZ-OE2 2.78Å; K27-I47 HydrophobicContact CB-CD1 4.37Å; K27-I47 HydrophobicContact CB-CG1 4.01Å
28V92.4Very high81.4Confident0 Ų062 Ų620%033%0.325CS..Hα-helixtrans-65.4-40.2173.3175.60000111.3V24 E25 S26 A31 T32 I47 V60 M63 L64 L85V24-V28 WeakPolarHBondContact O-CG2 3.38Å; V24-V28 PolarHBondContact O-N 2.83Å; E25-V28 PolarHBondContact O-N 2.76Å; S26-V28 PolarHBondContact O-N 3.02Å; V28-A31 PolarHBondContact O-N 3.07Å; V28-T32 WeakPolarHBondContact O-CB 3.23Å; V28-T32 WeakPolarHBondContact O-CG2 3.2Å; V28-T32 PolarHBondContact O-N 2.9Å; V28-T32 PolarHBondContact O-OG1 3.18Å; V28-I47 HydrophobicContact CG2-CD1 4.19Å; V28-I47 HydrophobicContact CG2-CG1 4.3Å; V28-I47 HydrophobicContact CG2-CG2 3.81Å; V28-V60 HydrophobicContact CG2-CB 4.46Å; V28-V60 HydrophobicContact CG2-CG1 4.1Å; V28-V60 HydrophobicContact CG2-CG2 4.37Å; V28-M63 HydrophobicContact CB-CB 4.43Å; V28-M63 HydrophobicContact CB-CG 4.02Å; V28-M63 HydrophobicContact CG1-CB 4.09Å; V28-M63 HydrophobicContact CG1-CG 3.77Å; V28-L64 HydrophobicContact CG1-CB 4.26Å; V28-L85 HydrophobicContact CG1-CD2 4.29Å
29R89.8Confident83.3Confident32 Ų3257.4 Ų57.412%0.12130%0.297CS..Hα-helixtrans-61.7-44173.8-75.9179.863.8122.9-2.8111.8D12 Y21 E25 S26 T32 N33 M63 R67D12-R29 IonicContact OD1-CZ 3.3Å; D12-R29 IonicContact OD1-NE 3.5Å; D12-R29 IonicContact OD1-NH2 2.68Å; D12-R29 PolarHBondContact OD1-NH2 2.87Å; Y21-R29 PolarHBondContact OH-NH1 2.94Å; E25-R29 WeakPolarHBondContact O-CG 3.43Å; E25-R29 PolarHBondContact O-N 3.08Å; S26-R29 WeakPolarHBondContact O-CB 3.36Å; S26-R29 PolarHBondContact O-N 3.48Å; R29-T32 WeakPolarHBondContact CA-OG1 3.43Å; R29-T32 CarbonylContact O-C 3.59Å; R29-T32 PolarHBondContact O-N 2.92Å; R29-T32 PolarHBondContact O-OG1 2.81Å; R29-N33 PolarHBondContact O-N 2.89Å; R29-N33 VanDerWaalsContact O-N 3.08Å; R29-M63 HydrophobicContact CG-CG 4.36Å; R29-M63 HydrophobicContact CG-SD 3.93Å; R29-R67 PolarHBondContact O-NH2 3.49Å
30E88.9Confident84.6Confident109 Ų10955 Ų5551%0.50929%0.291SS..Hα-helixtrans-62.5-48.4177-173.2-177.8153.100111.5S26 K27 T32 N33 L43S26-E30 WeakPolarHBondContact O-CB 3.38Å; S26-E30 PolarHBondContact O-N 2.93Å; K27-E30 PolarHBondContact O-N 3.21Å; E30-T32 PolarHBondContact O-N 2.89Å; E30-N33 VanDerWaalsContact O-CB 3.22Å; E30-N33 WeakPolarHBondContact O-CB 3.2Å; E30-N33 PolarHBondContact O-N 3.24Å; E30-N33 VanDerWaalsContact O-N 3.1Å; E30-N33 PolarHBondContact O-ND2 3.31Å; E30-L43 HydrophobicContact CB-CD2 3.98Å; E30-L43 HydrophobicContact CG-CD2 3.78Å
31A89.6Confident85.7Confident1 Ų150 Ų501%0.00828%0.275CS..Hα-helixtrans-62.1-30176.400000113K27 V28 P39 L43 I47 K81 L85K27-A31 WeakPolarHBondContact O-CB 3.42Å; K27-A31 PolarHBondContact O-N 3.4Å; V28-A31 PolarHBondContact O-N 3.07Å; A31-P39 HydrophobicContact CB-CB 4.11Å; A31-L43 HydrophobicContact CB-CD2 3.79Å; A31-L43 HydrophobicContact CB-CG 4.2Å; A31-I47 HydrophobicContact CB-CD1 3.7Å; A31-K81 WeakPolarHBondContact O-CD 3.41Å; A31-L85 HydrophobicContact CB-CD2 3.98Å
32T88.1Confident86.7Confident0 Ų054.1 Ų54.10%030%0.296CS..THydrogen-bonded Turntrans-98.520.9177.659.70000113.1V28 R29 E30 L64 R67 R78 S82 L85V28-T32 WeakPolarHBondContact O-CB 3.23Å; V28-T32 WeakPolarHBondContact O-CG2 3.2Å; V28-T32 PolarHBondContact O-N 2.9Å; V28-T32 PolarHBondContact O-OG1 3.18Å; R29-T32 WeakPolarHBondContact CA-OG1 3.43Å; R29-T32 CarbonylContact O-C 3.59Å; R29-T32 PolarHBondContact O-N 2.92Å; R29-T32 PolarHBondContact O-OG1 2.81Å; E30-T32 PolarHBondContact O-N 2.89Å; T32-L64 HydrophobicContact CG2-CD1 4.21Å; T32-R67 HydrophobicContact CG2-CB 4.43Å; T32-R67 PolarHBondContact O-NH2 2.71Å; T32-R67 VanDerWaalsContact O-NH2 3.12Å; T32-R67 PolarHBondContact OG1-NE 3.37Å; T32-R67 PolarHBondContact OG1-NH2 2.93Å; T32-R78 WeakPolarHBondContact O-CG 3.3Å; T32-S82 VanDerWaalsContact CG2-OG 3.3Å; T32-S82 WeakPolarHBondContact CG2-OG 3.49Å; T32-L85 HydrophobicContact CG2-CD2 4.3Å
33N87.1Confident87.2Confident34 Ų3453.4 Ų53.418%0.18229%0.29CS..  trans-68.7165-18078.79.7000112.8R29 E30 D35 K81R29-N33 PolarHBondContact O-N 2.89Å; R29-N33 VanDerWaalsContact O-N 3.08Å; E30-N33 VanDerWaalsContact O-CB 3.22Å; E30-N33 WeakPolarHBondContact O-CB 3.2Å; E30-N33 PolarHBondContact O-N 3.24Å; E30-N33 VanDerWaalsContact O-N 3.1Å; E30-N33 PolarHBondContact O-ND2 3.31Å; N33-D35 VanDerWaalsContact C-N 3.29Å; N33-D35 PolarHBondContact ND2-OD2 3.47Å; N33-D35 PolarHBondContact O-N 3Å; N33-D35 WeakPolarHBondContact OD1-CB 3.41Å; N33-D35 PolarHBondContact OD1-N 2.8Å; N33-D35 PolarHBondContact OD1-OD2 3.27Å; N33-K81 VanDerWaalsContact O-CD 3.28Å; N33-K81 WeakPolarHBondContact O-CD 3.5Å; N33-K81 WeakPolarHBondContact O-CE 3.38Å; N33-K81 PolarHBondContact O-NZ 3.44Å; N33-K81 PolarHBondContact OD1-NZ 2.88Å
34D82.5Confident87.5Confident55 Ų5548.3 Ų48.329%0.29427%0.266SS..  trans-87.311.9-174.2-62-70.7000114.2R77 R78D34-R77 VanDerWaalsContact O-CD 3.26Å; D34-R77 WeakPolarHBondContact O-CD 3.35Å; D34-R78 IonicContact OD1-CZ 2.64Å; D34-R78 IonicContact OD1-NE 4Å; D34-R78 PolarHBondContact OD1-NE 2.9Å; D34-R78 IonicContact OD1-NH2 2.72Å; D34-R78 IonicContact OD2-CZ 2.7Å; D34-R78 IonicContact OD2-NE 3.3Å; D34-R78 IonicContact OD2-NH2 2.64Å; D34-R78 PolarHBondContact OD2-NH2 2.86Å
35D83.1Confident87.7Confident45 Ų4550 Ų5024%0.24128%0.277CS..  trans-63158.7180-71.5-24.5000113.2N33 W37 K81N33-D35 VanDerWaalsContact C-N 3.29Å; N33-D35 PolarHBondContact ND2-OD2 3.47Å; N33-D35 PolarHBondContact O-N 3Å; N33-D35 WeakPolarHBondContact OD1-CB 3.41Å; N33-D35 PolarHBondContact OD1-N 2.8Å; N33-D35 PolarHBondContact OD1-OD2 3.27Å; D35-W37 VanDerWaalsContact C-N 3.34Å; D35-W37 HydrophobicContact CB-CD2 4.04Å; D35-W37 HydrophobicContact CB-CE3 4.44Å; D35-W37 HydrophobicContact CB-CH2 4.1Å; D35-W37 HydrophobicContact CB-CZ2 3.67Å; D35-W37 HydrophobicContact CB-CZ3 4.47Å; D35-W37 VanDerWaalsContact CG-CZ2 3.46Å; D35-W37 PolarHBondContact O-N 3.02Å; D35-W37 WeakPolarHBondContact OD2-CZ2 3.49Å; D35-K81 WeakPolarHBondContact O-CE 3.31Å; D35-K81 PolarHBondContact O-NZ 3.31Å
36P80.2Confident87.9Confident93 Ų9352.5 Ų52.560%0.60429%0.288SS*.SBendtrans-71.9-19.8-177.125.9-32.6000115.3
37W83.2Confident88.1Confident160 Ų16050.8 Ų50.861%0.60628%0.276SS*.SBendtrans-93157.3177.253.883.6000112.9D35 K81D35-W37 VanDerWaalsContact C-N 3.34Å; D35-W37 HydrophobicContact CB-CD2 4.04Å; D35-W37 HydrophobicContact CB-CE3 4.44Å; D35-W37 HydrophobicContact CB-CH2 4.1Å; D35-W37 HydrophobicContact CB-CZ2 3.67Å; D35-W37 HydrophobicContact CB-CZ3 4.47Å; D35-W37 VanDerWaalsContact CG-CZ2 3.46Å; D35-W37 PolarHBondContact O-N 3.02Å; D35-W37 WeakPolarHBondContact OD2-CZ2 3.49Å; W37-K81 WeakPolarHBondContact O-CE 3.4Å; W37-K81 PolarHBondContact O-NZ 3.34Å
38G85.4Confident88.2Confident43 Ų4348.9 Ų48.944%0.44327%0.268SS..PPolyproline II helixtrans-70.5165.717500000113.7
39P85.9Confident88.2Confident19 Ų1955.5 Ų55.512%0.12329%0.293CS..PPolyproline II helixtrans-59.7143.7177.624.9-34.6000112.4A31 M44 L84A31-P39 HydrophobicContact CB-CB 4.11Å; P39-M44 HydrophobicContact CB-CG 3.93Å; P39-M44 HydrophobicContact CB-SD 4.06Å; P39-M44 HydrophobicContact CG-CE 4.17Å; P39-M44 HydrophobicContact CG-CG 4.14Å; P39-M44 HydrophobicContact CG-SD 3.58Å; P39-M44 VanDerWaalsContact CG-SD 3.58Å; P39-L84 HydrophobicContact CG-CB 4.43Å
40S87.6Confident88.3Confident63 Ų6354.4 Ų54.444%0.44129%0.291SS..PPolyproline II helixtrans-62.9135.3175.4175.90000111.3Q42 L43 M44S40-Q42 PolarHBondContact O-N 3.33Å; S40-Q42 PolarHBondContact OG-N 2.96Å; S40-L43 PolarHBondContact O-N 3.27Å; S40-L43 VanDerWaalsContact O-N 3.14Å; S40-M44 WeakPolarHBondContact O-CG 3.46Å; S40-M44 PolarHBondContact O-N 3.4Å
41G88.3Confident88.5Confident41 Ų4149.2 Ų49.242%0.42327%0.267SS..Hα-helixtrans-60.1-31176.600000113.4T45G41-T45 WeakPolarHBondContact O-CB 3.48Å; G41-T45 PolarHBondContact O-N 3.33Å; G41-T45 PolarHBondContact O-OG1 3.35Å
42Q89.3Confident88.5Confident151 Ų15154 Ų5471%0.70629%0.288SS*.Hα-helixtrans-67.6-47.9173.7-72.2175.1-35.700111S40 M44 T45 E46S40-Q42 PolarHBondContact O-N 3.33Å; S40-Q42 PolarHBondContact OG-N 2.96Å; Q42-M44 PolarHBondContact O-N 2.95Å; Q42-T45 CarbonylContact O-C 3.6Å; Q42-T45 WeakPolarHBondContact O-CA 3.31Å; Q42-T45 VanDerWaalsContact O-CB 3.31Å; Q42-T45 WeakPolarHBondContact O-CB 3.35Å; Q42-T45 PolarHBondContact O-N 2.69Å; Q42-E46 PolarHBondContact O-N 3.21Å
43L90.9Very high88.7Confident16 Ų1658.8 Ų58.88%0.08431%0.311CS..Hα-helixtrans-61.5-42.4178.3-174.962.5000111.9K27 E30 A31 S40 T45 E46 I47K27-L43 HydrophobicContact CB-CD1 3.78Å; K27-L43 HydrophobicContact CD-CD1 4.31Å; K27-L43 HydrophobicContact CG-CD1 3.85Å; E30-L43 HydrophobicContact CB-CD2 3.98Å; E30-L43 HydrophobicContact CG-CD2 3.78Å; A31-L43 HydrophobicContact CB-CD2 3.79Å; A31-L43 HydrophobicContact CB-CG 4.2Å; S40-L43 PolarHBondContact O-N 3.27Å; S40-L43 VanDerWaalsContact O-N 3.14Å; L43-T45 VanDerWaalsContact C-N 3.27Å; L43-T45 PolarHBondContact O-N 2.77Å; L43-E46 PolarHBondContact O-N 2.95Å; L43-I47 HydrophobicContact CG-CD1 4.22Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.5Å; L43-I47 PolarHBondContact O-N 2.88Å
44M91.9Very high88.8Confident27 Ų2766.1 Ų66.113%0.13334%0.338CS..Hα-helixtrans-63.3-32.7172.2-64.4-167.1-74.100112.6P39 S40 Q42 S48 L85 H88P39-M44 HydrophobicContact CB-CG 3.93Å; P39-M44 HydrophobicContact CB-SD 4.06Å; P39-M44 HydrophobicContact CG-CE 4.17Å; P39-M44 HydrophobicContact CG-CG 4.14Å; P39-M44 HydrophobicContact CG-SD 3.58Å; P39-M44 VanDerWaalsContact CG-SD 3.58Å; S40-M44 WeakPolarHBondContact O-CG 3.46Å; S40-M44 PolarHBondContact O-N 3.4Å; Q42-M44 PolarHBondContact O-N 2.95Å; M44-S48 WeakPolarHBondContact O-CB 3.43Å; M44-S48 PolarHBondContact O-N 3.44Å; M44-S48 PolarHBondContact O-OG 3.26Å; M44-L85 HydrophobicContact CB-CD1 4.29Å; M44-L85 HydrophobicContact CG-CD1 3.99Å; M44-H88 HydrophobicContact CB-CB 4.46Å; M44-H88 PolarHBondContact O-CD2 3.17Å; M44-H88 PolarHBondContact O-NE2 3.31Å; M44-H88 HydrophobicContact SD-CB 3.92Å
45T91.6Very high89.2Confident46 Ų4670.9 Ų70.928%0.28236%0.358SS..Hα-helixtrans-72.3-32175.3-59.30000112.3G41 Q42 L43 S48 R49G41-T45 WeakPolarHBondContact O-CB 3.48Å; G41-T45 PolarHBondContact O-N 3.33Å; G41-T45 PolarHBondContact O-OG1 3.35Å; Q42-T45 CarbonylContact O-C 3.6Å; Q42-T45 WeakPolarHBondContact O-CA 3.31Å; Q42-T45 VanDerWaalsContact O-CB 3.31Å; Q42-T45 WeakPolarHBondContact O-CB 3.35Å; Q42-T45 PolarHBondContact O-N 2.69Å; L43-T45 VanDerWaalsContact C-N 3.27Å; L43-T45 PolarHBondContact O-N 2.77Å; T45-S48 WeakPolarHBondContact CA-OG 3.35Å; T45-S48 PolarHBondContact O-OG 3.16Å; T45-S48 VanDerWaalsContact O-OG 3.05Å; T45-R49 WeakPolarHBondContact O-CD 3.5Å; T45-R49 VanDerWaalsContact O-CG 3.23Å; T45-R49 WeakPolarHBondContact O-CG 3.24Å; T45-R49 PolarHBondContact O-N 3.49Å; T45-R49 VanDerWaalsContact O-N 3.12Å
46E91.4Very high89.5Confident86 Ų8671.8 Ų71.840%0.40236%0.361SS..Hα-helixtrans-71.1-45.3172.2-74.4-177.4-134.100111.8K27 Q42 L43 S48 R49 A50K27-E46 WeakPolarHBondContact CE-OE2 3.45Å; K27-E46 IonicContact NZ-OE2 2.68Å; K27-E46 PolarHBondContact NZ-OE2 2.78Å; Q42-E46 PolarHBondContact O-N 3.21Å; L43-E46 PolarHBondContact O-N 2.95Å; E46-S48 VanDerWaalsContact C-N 3.31Å; E46-S48 PolarHBondContact O-N 3.01Å; E46-R49 WeakPolarHBondContact O-CB 3.44Å; E46-R49 PolarHBondContact O-N 3.35Å; E46-A50 PolarHBondContact O-N 2.95Å
47I93.3Very high90.2Very high1 Ų168.2 Ų68.21%0.00534%0.336CS..Hα-helixtrans-63.3-39.7176.1-58.6161000110.1K27 V28 A31 L43 R49 A50 T51 V60 L85 L89K27-I47 HydrophobicContact CB-CD1 4.37Å; K27-I47 HydrophobicContact CB-CG1 4.01Å; V28-I47 HydrophobicContact CG2-CD1 4.19Å; V28-I47 HydrophobicContact CG2-CG1 4.3Å; V28-I47 HydrophobicContact CG2-CG2 3.81Å; A31-I47 HydrophobicContact CB-CD1 3.7Å; L43-I47 HydrophobicContact CG-CD1 4.22Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.5Å; L43-I47 PolarHBondContact O-N 2.88Å; I47-R49 VanDerWaalsContact C-N 3.35Å; I47-R49 PolarHBondContact O-N 3.44Å; I47-A50 WeakPolarHBondContact O-CB 3.29Å; I47-A50 PolarHBondContact O-N 3.11Å; I47-A50 VanDerWaalsContact O-N 3.13Å; I47-T51 PolarHBondContact O-N 3.1Å; I47-V60 HydrophobicContact CG2-CG1 3.72Å; I47-V60 HydrophobicContact CG2-CG2 4.25Å; I47-L85 HydrophobicContact CB-CD1 4.29Å; I47-L85 HydrophobicContact CD1-CD1 3.94Å; I47-L85 HydrophobicContact CD1-CD2 3.94Å; I47-L85 HydrophobicContact CG2-CD1 4.22Å; I47-L89 HydrophobicContact CB-CD2 4.42Å; I47-L89 HydrophobicContact CG2-CD1 4.29Å; I47-L89 HydrophobicContact CG2-CD2 3.99Å
48S92.7Very high90.6Very high4 Ų463 Ų633%0.02832%0.323CS..Hα-helixtrans-64.5-36.6175.668.80000112.6M44 T45 E46 T51 F52 L89M44-S48 WeakPolarHBondContact O-CB 3.43Å; M44-S48 PolarHBondContact O-N 3.44Å; M44-S48 PolarHBondContact O-OG 3.26Å; T45-S48 WeakPolarHBondContact CA-OG 3.35Å; T45-S48 PolarHBondContact O-OG 3.16Å; T45-S48 VanDerWaalsContact O-OG 3.05Å; E46-S48 VanDerWaalsContact C-N 3.31Å; E46-S48 PolarHBondContact O-N 3.01Å; S48-T51 PolarHBondContact O-N 3.03Å; S48-T51 PolarHBondContact O-OG1 2.96Å; S48-F52 WeakPolarHBondContact O-CD2 3.28Å; S48-F52 VanDerWaalsContact O-CE2 3.3Å; S48-F52 WeakPolarHBondContact O-CE2 3.34Å; S48-L89 VanDerWaalsContact CA-CD2 3.45Å
49R91.3Very high90.9Very high139 Ų13963.9 Ų63.953%0.52532%0.316SS..Hα-helixtrans-60.8-44.3169.1-70.4166.4-168.5-162.92.9111.8T45 E46 I47 T51 F52T45-R49 WeakPolarHBondContact O-CD 3.5Å; T45-R49 VanDerWaalsContact O-CG 3.23Å; T45-R49 WeakPolarHBondContact O-CG 3.24Å; T45-R49 PolarHBondContact O-N 3.49Å; T45-R49 VanDerWaalsContact O-N 3.12Å; E46-R49 WeakPolarHBondContact O-CB 3.44Å; E46-R49 PolarHBondContact O-N 3.35Å; I47-R49 VanDerWaalsContact C-N 3.35Å; I47-R49 PolarHBondContact O-N 3.44Å; R49-T51 VanDerWaalsContact C-N 3.3Å; R49-T51 PolarHBondContact O-N 3.44Å; R49-F52 PolarHBondContact O-N 3.15Å; R49-F52 VanDerWaalsContact O-N 3.17Å
50A91.6Very high91.3Very high9 Ų963 Ų637%0.07431%0.31CS..Hα-helixtrans-61.5-33.7178.300000113.1V24 E46 I47 F52 M53 V60V24-A50 HydrophobicContact CG1-CB 3.47Å; V24-A50 VanDerWaalsContact CG1-CB 3.47Å; V24-A50 HydrophobicContact CG2-CB 4.44Å; E46-A50 PolarHBondContact O-N 2.95Å; I47-A50 WeakPolarHBondContact O-CB 3.29Å; I47-A50 PolarHBondContact O-N 3.11Å; I47-A50 VanDerWaalsContact O-N 3.13Å; A50-F52 PolarHBondContact O-N 3.45Å; A50-F52 VanDerWaalsContact O-N 3.07Å; A50-M53 WeakPolarHBondContact O-CB 3.27Å; A50-M53 PolarHBondContact O-N 2.9Å; A50-V60 HydrophobicContact CB-CG2 4.35Å
51T92.7Very high91.6Very high0 Ų060.1 Ų60.10%029%0.289CS..THydrogen-bonded Turntrans-62.3-16.1176.465.50000114.9I47 S48 R49 V60 L89 G93 S94 V97I47-T51 PolarHBondContact O-N 3.1Å; S48-T51 PolarHBondContact O-N 3.03Å; S48-T51 PolarHBondContact O-OG1 2.96Å; R49-T51 VanDerWaalsContact C-N 3.3Å; R49-T51 PolarHBondContact O-N 3.44Å; T51-V60 HydrophobicContact CG2-CB 4.46Å; T51-V60 HydrophobicContact CG2-CG1 3.86Å; T51-L89 HydrophobicContact CG2-CD1 4.28Å; T51-L89 HydrophobicContact CG2-CD2 3.98Å; T51-G93 WeakPolarHBondContact OG1-CA 3.28Å; T51-S94 WeakPolarHBondContact O-CB 3.26Å; T51-S94 PolarHBondContact OG1-N 3.29Å; T51-V97 HydrophobicContact CG2-CG2 3.88Å
52F91.1Very high91.8Very high103 Ų10363.5 Ų63.545%0.45230%0.298SS..THydrogen-bonded Turntrans-80.9-18.8172.8-65.6-85.4000112.9S48 R49 A50 G93S48-F52 WeakPolarHBondContact O-CD2 3.28Å; S48-F52 VanDerWaalsContact O-CE2 3.3Å; S48-F52 WeakPolarHBondContact O-CE2 3.34Å; R49-F52 PolarHBondContact O-N 3.15Å; R49-F52 VanDerWaalsContact O-N 3.17Å; A50-F52 PolarHBondContact O-N 3.45Å; A50-F52 VanDerWaalsContact O-N 3.07Å; F52-G93 WeakPolarHBondContact CZ-O 3.48Å
53M92.2Very high92Very high99 Ų9957.5 Ų57.549%0.48827%0.27SS..SBendtrans-78.4133.3175.9-58.1-58.8108.600109.5A50 E55 Q56 F57A50-M53 WeakPolarHBondContact O-CB 3.27Å; A50-M53 PolarHBondContact O-N 2.9Å; M53-E55 PolarHBondContact O-N 2.7Å; M53-Q56 HydrophobicContact CB-CB 4.11Å; M53-Q56 HydrophobicContact CB-CG 4.14Å; M53-F57 WeakPolarHBondContact O-CB 3.29Å; M53-F57 PolarHBondContact O-N 3.31Å
54Y89.6Confident92.1Very high189 Ų18956.7 Ų56.774%0.74127%0.266SS*.THydrogen-bonded Turntrans-62.5-44.2-171.4-179.3-99.7000112.8P58 R96Y54-P58 WeakPolarHBondContact O-CD 3.49Å; Y54-R96 PolarHBondContact O-NH1 3.11Å; Y54-R96 VanDerWaalsContact O-NH1 3.08Å
55E90.8Very high92.1Very high154 Ų15456 Ų5672%0.7226%0.262SS*.THydrogen-bonded Turntrans-74.7-41.9-175.4-176.3172-144.400113.2M53 P58M53-E55 PolarHBondContact O-N 2.7Å; E55-P58 WeakPolarHBondContact O-CD 3.34Å; E55-P58 VanDerWaalsContact O-CG 3.24Å; E55-P58 WeakPolarHBondContact O-CG 3.38Å
56Q89.5Confident92.1Very high64 Ų6454.9 Ų54.930%0.29926%0.259SS..Hα-helixtrans-77.9-23.5-178.5-59173.2-7.500113V24 M53 E59 V60V24-Q56 HydrophobicContact CG2-CB 4.12Å; V24-Q56 HydrophobicContact CG2-CG 3.89Å; M53-Q56 HydrophobicContact CB-CB 4.11Å; M53-Q56 HydrophobicContact CB-CG 4.14Å; Q56-E59 WeakPolarHBondContact O-CB 3.25Å; Q56-E59 PolarHBondContact O-N 3.28Å; Q56-V60 WeakPolarHBondContact O-CG2 3.26Å; Q56-V60 PolarHBondContact O-N 3.13Å
57F93.3Very high92.1Very high18 Ų1852 Ų528%0.07924%0.244CC..Hα-helixtrans-54.2-52.5178.5174.1-91.9000114.6M53 E59 V60 M61 R96 V97M53-F57 WeakPolarHBondContact O-CB 3.29Å; M53-F57 PolarHBondContact O-N 3.31Å; F57-E59 VanDerWaalsContact C-N 3.3Å; F57-E59 PolarHBondContact O-N 2.64Å; F57-V60 PolarHBondContact O-N 2.74Å; F57-M61 HydrophobicContact CD2-CG 4.16Å; F57-M61 HydrophobicContact CE1-CG 4Å; F57-M61 HydrophobicContact CE2-CG 3.59Å; F57-M61 HydrophobicContact CE2-SD 4.19Å; F57-M61 HydrophobicContact CZ-CG 3.5Å; F57-M61 HydrophobicContact CZ-SD 4.46Å; F57-M61 WeakPolarHBondContact O-CG 3.43Å; F57-M61 PolarHBondContact O-N 3.49Å; F57-R96 VanDerWaalsContact CB-NH1 3.28Å; F57-R96 HydrophobicContact CD1-CB 4.47Å; F57-R96 HydrophobicContact CD2-CB 3.96Å; F57-R96 HydrophobicContact CE1-CB 4Å; F57-R96 HydrophobicContact CE2-CB 3.42Å; F57-R96 VanDerWaalsContact CE2-CB 3.42Å; F57-R96 HydrophobicContact CG-CB 4.47Å; F57-R96 HydrophobicContact CZ-CB 3.44Å; F57-R96 VanDerWaalsContact CZ-CB 3.44Å; F57-R96 WeakPolarHBondContact CZ-O 3.31Å; F57-V97 HydrophobicContact CE2-CG2 3.88Å
58P92.5Very high91.9Very high52 Ų5252 Ų5234%0.33824%0.244SC..Hα-helixtrans-62.1-36177.524.5-35.5000112.4Y54 E55 N62Y54-P58 WeakPolarHBondContact O-CD 3.49Å; E55-P58 WeakPolarHBondContact O-CD 3.34Å; E55-P58 VanDerWaalsContact O-CG 3.24Å; E55-P58 WeakPolarHBondContact O-CG 3.38Å; P58-N62 WeakPolarHBondContact O-CB 3.15Å; P58-N62 PolarHBondContact O-N 2.92Å; P58-N62 PolarHBondContact O-ND2 3.11Å
59E91.8Very high91.7Very high61 Ų6153.6 Ų53.629%0.28525%0.252SS..Hα-helixtrans-60.2-50.9174.5-54-176.8156.500111.1S22 E25 Q56 F57 M61 M63S22-E59 WeakPolarHBondContact CB-OE2 3.38Å; S22-E59 PolarHBondContact OG-OE2 3.46Å; E25-E59 HydrophobicContact CG-CB 3.99Å; Q56-E59 WeakPolarHBondContact O-CB 3.25Å; Q56-E59 PolarHBondContact O-N 3.28Å; F57-E59 VanDerWaalsContact C-N 3.3Å; F57-E59 PolarHBondContact O-N 2.64Å; E59-M61 PolarHBondContact O-N 3.48Å; E59-M63 VanDerWaalsContact O-CB 3.23Å; E59-M63 WeakPolarHBondContact O-CB 3.28Å; E59-M63 PolarHBondContact O-N 3.37Å
60V93.8Very high91.5Very high0 Ų056.1 Ų56.10%026%0.262CS..Hα-helixtrans-55.2-53.1177.5170.80000111.2V24 V28 I47 A50 T51 Q56 F57 L64 L89V24-V60 HydrophobicContact CB-CG2 4.46Å; V24-V60 HydrophobicContact CG1-CG2 3.31Å; V28-V60 HydrophobicContact CG2-CB 4.46Å; V28-V60 HydrophobicContact CG2-CG1 4.1Å; V28-V60 HydrophobicContact CG2-CG2 4.37Å; I47-V60 HydrophobicContact CG2-CG1 3.72Å; I47-V60 HydrophobicContact CG2-CG2 4.25Å; A50-V60 HydrophobicContact CB-CG2 4.35Å; T51-V60 HydrophobicContact CG2-CB 4.46Å; T51-V60 HydrophobicContact CG2-CG1 3.86Å; Q56-V60 WeakPolarHBondContact O-CG2 3.26Å; Q56-V60 PolarHBondContact O-N 3.13Å; F57-V60 PolarHBondContact O-N 2.74Å; V60-L64 WeakPolarHBondContact O-CB 3.27Å; V60-L64 PolarHBondContact O-N 3.21Å; V60-L89 HydrophobicContact CG1-CD1 4.14Å
61M94.1Very high90.8Very high3 Ų360.8 Ų60.82%0.01529%0.285CS..Hα-helixtrans-70.4-43.3-173.8-64.1-53.7-58.800111.5F57 E59 M63 L64 W65 L86 V97F57-M61 HydrophobicContact CD2-CG 4.16Å; F57-M61 HydrophobicContact CE1-CG 4Å; F57-M61 HydrophobicContact CE2-CG 3.59Å; F57-M61 HydrophobicContact CE2-SD 4.19Å; F57-M61 HydrophobicContact CZ-CG 3.5Å; F57-M61 HydrophobicContact CZ-SD 4.46Å; F57-M61 WeakPolarHBondContact O-CG 3.43Å; F57-M61 PolarHBondContact O-N 3.49Å; E59-M61 PolarHBondContact O-N 3.48Å; M61-M63 PolarHBondContact O-N 2.97Å; M61-L64 HydrophobicContact CE-CD2 4.49Å; M61-L64 PolarHBondContact O-N 3.38Å; M61-W65 HydrophobicContact CE-CZ2 4.02Å; M61-W65 PolarHBondContact O-N 3.34Å; M61-L86 HydrophobicContact CE-CD1 4.16Å; M61-V97 HydrophobicContact CE-CG1 4.2Å; M61-V97 HydrophobicContact SD-CG1 4.14Å; M61-V97 HydrophobicContact SD-CG2 4.26Å
62N92.9Very high90.3Very high112 Ų11262.4 Ų62.460%0.59929%0.294SS*.Hα-helixtrans-64.3-40.3178.5-70.3-22.3000111.9P58 G66P58-N62 WeakPolarHBondContact O-CB 3.15Å; P58-N62 PolarHBondContact O-N 2.92Å; P58-N62 PolarHBondContact O-ND2 3.11Å; N62-G66 WeakPolarHBondContact O-CA 3.34Å; N62-G66 PolarHBondContact O-N 2.79Å
63M92.3Very high89.8Confident24 Ų2466.1 Ų66.112%0.11831%0.31CS..Hα-helixtrans-66.3-38.8174.2-1735459.500111.4Y21 E25 V28 R29 E59 M61 G66 R67Y21-M63 HydrophobicContact CD1-CE 3.81Å; Y21-M63 HydrophobicContact CE1-CE 3.64Å; E25-M63 HydrophobicContact CB-CE 4.15Å; E25-M63 HydrophobicContact CB-CG 4.29Å; E25-M63 HydrophobicContact CG-CB 4.23Å; E25-M63 HydrophobicContact CG-CE 4.11Å; E25-M63 HydrophobicContact CG-CG 4.45Å; E25-M63 WeakPolarHBondContact OE1-CE 3.49Å; V28-M63 HydrophobicContact CB-CB 4.43Å; V28-M63 HydrophobicContact CB-CG 4.02Å; V28-M63 HydrophobicContact CG1-CB 4.09Å; V28-M63 HydrophobicContact CG1-CG 3.77Å; R29-M63 HydrophobicContact CG-CG 4.36Å; R29-M63 HydrophobicContact CG-SD 3.93Å; E59-M63 VanDerWaalsContact O-CB 3.23Å; E59-M63 WeakPolarHBondContact O-CB 3.28Å; E59-M63 PolarHBondContact O-N 3.37Å; M61-M63 PolarHBondContact O-N 2.97Å; M63-G66 PolarHBondContact O-N 3.43Å; M63-R67 HydrophobicContact CG-CG 4.38Å; M63-R67 WeakPolarHBondContact O-CB 3.41Å; M63-R67 WeakPolarHBondContact O-CG 3.35Å; M63-R67 PolarHBondContact O-N 3.28Å; M63-R67 HydrophobicContact SD-CG 3.97Å
64L93.8Very high89.2Confident0 Ų067.8 Ų67.80%031%0.314CS..Hα-helixtrans-66.5-52.6178-177.457000112.5V28 T32 V60 M61 G66 R67 M68 L85 L86 L89V28-L64 HydrophobicContact CG1-CB 4.26Å; T32-L64 HydrophobicContact CG2-CD1 4.21Å; V60-L64 WeakPolarHBondContact O-CB 3.27Å; V60-L64 PolarHBondContact O-N 3.21Å; M61-L64 HydrophobicContact CE-CD2 4.49Å; M61-L64 PolarHBondContact O-N 3.38Å; L64-G66 VanDerWaalsContact C-N 3.29Å; L64-G66 PolarHBondContact O-N 3.28Å; L64-R67 PolarHBondContact O-N 3.45Å; L64-M68 VanDerWaalsContact O-CB 3.29Å; L64-M68 WeakPolarHBondContact O-CB 3.48Å; L64-M68 PolarHBondContact O-N 3.02Å; L64-L85 HydrophobicContact CD1-CB 4.47Å; L64-L85 HydrophobicContact CD1-CD2 3.94Å; L64-L85 HydrophobicContact CD1-CG 4.3Å; L64-L86 HydrophobicContact CD2-CB 4.13Å; L64-L86 HydrophobicContact CD2-CD1 4.06Å; L64-L89 HydrophobicContact CD2-CD1 3.85Å
65W93.2Very high89Confident13 Ų1360.4 Ų60.45%0.04929%0.288CS..Hα-helixtrans-59.5-41.6174.2-65.4123000110.9M61 M68 L69 L86 S100 T101 H104 L108M61-W65 HydrophobicContact CE-CZ2 4.02Å; M61-W65 PolarHBondContact O-N 3.34Å; W65-M68 HydrophobicContact CD2-CE 4.34Å; W65-M68 HydrophobicContact CE3-CE 3.29Å; W65-M68 HydrophobicContact CH2-CE 4.16Å; W65-M68 HydrophobicContact CZ3-CE 3.2Å; W65-M68 PolarHBondContact O-N 3.05Å; W65-L69 HydrophobicContact CB-CD1 4.44Å; W65-L69 HydrophobicContact CE3-CD1 4.12Å; W65-L69 WeakPolarHBondContact O-CB 3.42Å; W65-L69 WeakPolarHBondContact O-CG 3.37Å; W65-L69 PolarHBondContact O-N 3.39Å; W65-L86 HydrophobicContact CH2-CD2 3.74Å; W65-L86 HydrophobicContact CZ2-CD2 4.36Å; W65-L86 HydrophobicContact CZ3-CD2 4.18Å; W65-S100 PolarHBondContact NE1-OG 2.94Å; W65-T101 HydrophobicContact CH2-CG2 4.36Å; W65-H104 HydrophobicContact CD2-CB 4.11Å; W65-H104 AromaticContact CD2-CG 3.91Å; W65-H104 AromaticContact CE2-CG 3.65Å; W65-H104 AromaticContact CE2-ND1 3.73Å; W65-H104 HydrophobicContact CE3-CB 3.97Å; W65-H104 HydrophobicContact CH2-CB 3.47Å; W65-H104 VanDerWaalsContact CH2-CB 3.47Å; W65-H104 HydrophobicContact CZ2-CB 3.58Å; W65-H104 AromaticContact CZ2-CG 3.86Å; W65-H104 AromaticContact CZ2-ND1 3.99Å; W65-H104 HydrophobicContact CZ3-CB 3.64Å; W65-H104 AromaticContact NE1-CE1 3.79Å; W65-H104 AromaticContact NE1-CG 3.9Å; W65-H104 AromaticContact NE1-ND1 3.58Å; W65-L108 HydrophobicContact CH2-CD1 4.25Å; W65-L108 HydrophobicContact CH2-CD2 4.26Å; W65-L108 HydrophobicContact CH2-CG 4.1Å; W65-L108 HydrophobicContact CZ3-CD2 3.88Å; W65-L108 HydrophobicContact CZ3-CG 3.98Å
66G91.1Very high89Confident21 Ų2154.3 Ų54.322%0.21626%0.258CS..Hα-helixtrans-58.3-48174.600000113.4N62 M63 L64 R70N62-G66 WeakPolarHBondContact O-CA 3.34Å; N62-G66 PolarHBondContact O-N 2.79Å; M63-G66 PolarHBondContact O-N 3.43Å; L64-G66 VanDerWaalsContact C-N 3.29Å; L64-G66 PolarHBondContact O-N 3.28Å; G66-R70 WeakPolarHBondContact O-CB 3.47Å; G66-R70 WeakPolarHBondContact O-CG 3.4Å; G66-R70 PolarHBondContact O-N 2.64Å
67R90.3Very high89.1Confident27 Ų2755 Ų5510%0.10226%0.258CS..Hα-helixtrans-70.6-30.8179.1-70.2-79.1-81.6-170.5-10.4112.8R29 T32 M63 L64 R78R29-R67 PolarHBondContact O-NH2 3.49Å; T32-R67 HydrophobicContact CG2-CB 4.43Å; T32-R67 PolarHBondContact O-NH2 2.71Å; T32-R67 VanDerWaalsContact O-NH2 3.12Å; T32-R67 PolarHBondContact OG1-NE 3.37Å; T32-R67 PolarHBondContact OG1-NH2 2.93Å; M63-R67 HydrophobicContact CG-CG 4.38Å; M63-R67 WeakPolarHBondContact O-CB 3.41Å; M63-R67 WeakPolarHBondContact O-CG 3.35Å; M63-R67 PolarHBondContact O-N 3.28Å; M63-R67 HydrophobicContact SD-CG 3.97Å; L64-R67 PolarHBondContact O-N 3.45Å; R67-R78 HydrophobicContact CB-CG 4.43Å; R67-R78 WeakPolarHBondContact O-CD 3.32Å; R67-R78 WeakPolarHBondContact O-CG 3.39Å
68M89.6Confident89Confident0 Ų056.4 Ų56.40%026%0.263CS..Hα-helixtrans-80.7-42.4-178.5-169.5161.158.700113.3L64 W65 N72 V79 L83 L86 L108 L111L64-M68 VanDerWaalsContact O-CB 3.29Å; L64-M68 WeakPolarHBondContact O-CB 3.48Å; L64-M68 PolarHBondContact O-N 3.02Å; W65-M68 HydrophobicContact CD2-CE 4.34Å; W65-M68 HydrophobicContact CE3-CE 3.29Å; W65-M68 HydrophobicContact CH2-CE 4.16Å; W65-M68 HydrophobicContact CZ3-CE 3.2Å; W65-M68 PolarHBondContact O-N 3.05Å; M68-N72 WeakPolarHBondContact O-CB 3.36Å; M68-V79 HydrophobicContact CG-CG1 4.23Å; M68-L83 HydrophobicContact SD-CD2 3.62Å; M68-L83 HydrophobicContact SD-CG 3.72Å; M68-L86 HydrophobicContact CE-CD2 3.93Å; M68-L108 HydrophobicContact CE-CD2 3.8Å; M68-L108 HydrophobicContact SD-CD2 4.37Å; M68-L111 HydrophobicContact CG-CD1 4Å; M68-L111 HydrophobicContact SD-CD1 4.24Å
69L88.6Confident89.1Confident38 Ų3854 Ų5420%0.19925%0.247CC..Hα-helixtrans-96.3-33.3-170.3-57.6175.4000113.1W65 N72 D107 L111W65-L69 HydrophobicContact CB-CD1 4.44Å; W65-L69 HydrophobicContact CE3-CD1 4.12Å; W65-L69 WeakPolarHBondContact O-CB 3.42Å; W65-L69 WeakPolarHBondContact O-CG 3.37Å; W65-L69 PolarHBondContact O-N 3.39Å; L69-N72 PolarHBondContact O-ND2 2.9Å; L69-D107 HydrophobicContact CD1-CB 3.67Å; L69-D107 HydrophobicContact CD2-CB 3.98Å; L69-D107 HydrophobicContact CG-CB 4.5Å; L69-L111 HydrophobicContact CD2-CD1 4.2Å; L69-L111 HydrophobicContact CD2-CG 4.48Å
70R86.1Confident89.1Confident192 Ų19254.5 Ų54.573%0.72525%0.247SC*.THydrogen-bonded Turntrans-82.5137.3-177.9-54.1179.5-179.1-144.20.7111.2G66 N72G66-R70 WeakPolarHBondContact O-CB 3.47Å; G66-R70 WeakPolarHBondContact O-CG 3.4Å; G66-R70 PolarHBondContact O-N 2.64Å; R70-N72 PolarHBondContact O-N 3.3Å; R70-N72 VanDerWaalsContact O-N 3.08Å
71D78.1Confident89.1Confident106 Ų10654.8 Ų54.857%0.56725%0.248SC*.THydrogen-bonded Turntrans52.826.8-178.7-82.7-69.1000114.9K73 K74 N75D71-K73 VanDerWaalsContact C-N 3.28Å; D71-K73 PolarHBondContact O-N 3.2Å; D71-K74 WeakPolarHBondContact OD1-CE 3.28Å; D71-K74 IonicContact OD1-NZ 2.9Å; D71-K74 PolarHBondContact OD1-NZ 3.36Å; D71-N75 PolarHBondContact O-ND2 2.72Å; D71-N75 VanDerWaalsContact O-ND2 3.08Å
72N82.1Confident89.1Confident35 Ų3554.7 Ų54.719%0.18725%0.248CC..G310 helixtrans-61.8-30.5-172.168.553.9000114M68 L69 R70 K74 N75 V79 Y114M68-N72 WeakPolarHBondContact O-CB 3.36Å; L69-N72 PolarHBondContact O-ND2 2.9Å; R70-N72 PolarHBondContact O-N 3.3Å; R70-N72 VanDerWaalsContact O-N 3.08Å; N72-K74 PolarHBondContact O-N 3.25Å; N72-N75 PolarHBondContact O-N 3.31Å; N72-V79 HydrophobicContact CB-CG2 3.69Å; N72-Y114 HydrophobicContact CB-CE2 4.27Å; N72-Y114 PolarHBondContact O-OH 3.27Å
73K79.5Confident89.2Confident181 Ų18149.3 Ų49.379%0.78722%0.219SC*.G310 helixtrans-62.9-18.4-168.8-63.8-173.1178.4-1770115.7D71 F116D71-K73 VanDerWaalsContact C-N 3.28Å; D71-K73 PolarHBondContact O-N 3.2Å; K73-F116 WeakPolarHBondContact O-CD2 3.41Å
74K80.5Confident89.2Confident133 Ų13350.3 Ų50.358%0.57823%0.225SC*.G310 helixtrans-117.9-8.8-177.965.3-164171.1-160.30114D71 N72D71-K74 WeakPolarHBondContact OD1-CE 3.28Å; D71-K74 IonicContact OD1-NZ 2.9Å; D71-K74 PolarHBondContact OD1-NZ 3.36Å; N72-K74 PolarHBondContact O-N 3.25Å
75N86.4Confident89.3Confident34 Ų3450.3 Ų50.318%0.18223%0.225CC..  trans-123.354-170.5-57.2-58.7000111.4D71 N72 R77 R78 V79D71-N75 PolarHBondContact O-ND2 2.72Å; D71-N75 VanDerWaalsContact O-ND2 3.08Å; N72-N75 PolarHBondContact O-N 3.31Å; N75-R77 PolarHBondContact O-N 2.93Å; N75-R78 HydrophobicContact CB-CB 4.01Å; N75-R78 WeakPolarHBondContact O-CB 3.43Å; N75-R78 PolarHBondContact O-N 3.18Å; N75-V79 PolarHBondContact O-N 3.46Å
76W89.8Confident89.4Confident27 Ų2749.7 Ų49.710%0.10222%0.222CC..Hα-helixtrans-53.1-33.4-175.573.5-95.8000113.4V79 Y80 Y114 F116 Q124W76-V79 PolarHBondContact O-N 2.88Å; W76-Y80 WeakPolarHBondContact O-CB 3.35Å; W76-Y80 PolarHBondContact O-N 3.35Å; W76-Y114 VanDerWaalsContact CA-OH 3.3Å; W76-Y114 WeakPolarHBondContact CA-OH 3.18Å; W76-Y114 HydrophobicContact CB-CE1 3.99Å; W76-Y114 WeakPolarHBondContact CB-OH 3.33Å; W76-Y114 PolarHBondContact N-OH 2.72Å; W76-F116 HydrophobicContact CB-CB 4.29Å; W76-F116 HydrophobicContact CB-CD1 4.22Å; W76-F116 HydrophobicContact CB-CD2 4.45Å; W76-F116 HydrophobicContact CB-CG 4.05Å; W76-F116 AromaticContact CD1-CD1 3.41Å; W76-F116 VanDerWaalsContact CD1-CD1 3.41Å; W76-F116 AromaticContact CD1-CE1 3.26Å; W76-F116 AromaticContact CD1-CG 3.99Å; W76-F116 AromaticContact CD1-CZ 3.72Å; W76-F116 AromaticContact CG-CD1 3.98Å; W76-F116 HydrophobicContact CG-CD1 3.98Å; W76-F116 HydrophobicContact CG-CE1 4.24Å; W76-F116 HydrophobicContact CG-CG 4.3Å; W76-F116 AromaticContact NE1-CE1 3.72Å; W76-Q124 HydrophobicContact CD2-CB 3.58Å; W76-Q124 HydrophobicContact CD2-CG 4.19Å; W76-Q124 HydrophobicContact CE3-CB 4Å; W76-Q124 HydrophobicContact CG-CB 3.92Å; W76-Q124 HydrophobicContact CH2-CB 4.3Å; W76-Q124 HydrophobicContact CH2-CG 4.41Å; W76-Q124 HydrophobicContact CZ2-CB 3.92Å; W76-Q124 VanDerWaalsContact CZ2-CD 3.49Å; W76-Q124 HydrophobicContact CZ2-CG 3.72Å; W76-Q124 HydrophobicContact CZ3-CB 4.35Å
77R91.7Very high89.5Confident78 Ų7849.1 Ų49.129%0.29422%0.215SC..Hα-helixtrans-59.1-46.7175.8-64.3-174.4-178.8-78.7-3111.8D34 N75 Y80 K81D34-R77 VanDerWaalsContact O-CD 3.26Å; D34-R77 WeakPolarHBondContact O-CD 3.35Å; N75-R77 PolarHBondContact O-N 2.93Å; R77-Y80 PolarHBondContact O-N 3.2Å; R77-K81 WeakPolarHBondContact O-CG 3.23Å; R77-K81 PolarHBondContact O-N 3.01Å
78R92Very high89.6Confident47 Ų4749.6 Ų49.618%0.17722%0.219CC..Hα-helixtrans-61.3-45.2177.1-172.2179.6-57.4175.50.9112T32 D34 R67 N75 S82T32-R78 WeakPolarHBondContact O-CG 3.3Å; D34-R78 IonicContact OD1-CZ 2.64Å; D34-R78 IonicContact OD1-NE 4Å; D34-R78 PolarHBondContact OD1-NE 2.9Å; D34-R78 IonicContact OD1-NH2 2.72Å; D34-R78 IonicContact OD2-CZ 2.7Å; D34-R78 IonicContact OD2-NE 3.3Å; D34-R78 IonicContact OD2-NH2 2.64Å; D34-R78 PolarHBondContact OD2-NH2 2.86Å; R67-R78 HydrophobicContact CB-CG 4.43Å; R67-R78 WeakPolarHBondContact O-CD 3.32Å; R67-R78 WeakPolarHBondContact O-CG 3.39Å; N75-R78 HydrophobicContact CB-CB 4.01Å; N75-R78 WeakPolarHBondContact O-CB 3.43Å; N75-R78 PolarHBondContact O-N 3.18Å; R78-S82 WeakPolarHBondContact O-CB 3.39Å; R78-S82 PolarHBondContact O-N 3.46Å; R78-S82 PolarHBondContact O-OG 3.26Å
79V92.8Very high89.8Confident1 Ų149.6 Ų49.61%0.00622%0.219CC..Hα-helixtrans-60.5-50.6176.6-172.20000109.9M68 N72 N75 W76 K81 S82 L83 L111 Y114 V128M68-V79 HydrophobicContact CG-CG1 4.23Å; N72-V79 HydrophobicContact CB-CG2 3.69Å; N75-V79 PolarHBondContact O-N 3.46Å; W76-V79 PolarHBondContact O-N 2.88Å; V79-K81 PolarHBondContact O-N 3.17Å; V79-S82 WeakPolarHBondContact O-CB 3.32Å; V79-S82 PolarHBondContact O-N 3.05Å; V79-L83 HydrophobicContact CG1-CD1 4.17Å; V79-L83 WeakPolarHBondContact O-CG 3.43Å; V79-L83 PolarHBondContact O-N 3.35Å; V79-L111 HydrophobicContact CG1-CD1 4.13Å; V79-L111 HydrophobicContact CG1-CD2 4.25Å; V79-Y114 HydrophobicContact CG2-CE2 4.31Å; V79-V128 HydrophobicContact CG1-CG1 3.85Å
80Y93Very high90.1Very high72 Ų7247.8 Ų47.828%0.28221%0.209SC..Hα-helixtrans-61.8-44.9-179.8-172.2-110.9000113W76 R77 S82 L83 L84 N127 V128 K131W76-Y80 WeakPolarHBondContact O-CB 3.35Å; W76-Y80 PolarHBondContact O-N 3.35Å; R77-Y80 PolarHBondContact O-N 3.2Å; Y80-S82 VanDerWaalsContact C-N 3.34Å; Y80-S82 PolarHBondContact O-N 3.2Å; Y80-L83 PolarHBondContact O-N 3.21Å; Y80-L84 HydrophobicContact CD1-CD1 4Å; Y80-L84 HydrophobicContact CD1-CG 4.45Å; Y80-L84 HydrophobicContact CE1-CD1 3.66Å; Y80-L84 HydrophobicContact CE1-CG 4.18Å; Y80-L84 WeakPolarHBondContact O-CG 3.17Å; Y80-L84 PolarHBondContact O-N 3.25Å; Y80-N127 HydrophobicContact CD2-CB 4.42Å; Y80-N127 HydrophobicContact CE2-CB 4.14Å; Y80-V128 HydrophobicContact CD2-CG2 4.41Å; Y80-K131 HydrophobicContact CD2-CB 4.49Å; Y80-K131 HydrophobicContact CE2-CB 3.99Å; Y80-K131 HydrophobicContact CE2-CG 4.2Å
81K93.4Very high90.3Very high7 Ų741.9 Ų41.93%0.0319%0.187CC..Hα-helixtrans-66.6-34.6175.5-67.3-169.3-151.6-171.10112.8A31 N33 D35 W37 R77 V79 L83 L84 L85A31-K81 WeakPolarHBondContact O-CD 3.41Å; N33-K81 VanDerWaalsContact O-CD 3.28Å; N33-K81 WeakPolarHBondContact O-CD 3.5Å; N33-K81 WeakPolarHBondContact O-CE 3.38Å; N33-K81 PolarHBondContact O-NZ 3.44Å; N33-K81 PolarHBondContact OD1-NZ 2.88Å; D35-K81 WeakPolarHBondContact O-CE 3.31Å; D35-K81 PolarHBondContact O-NZ 3.31Å; W37-K81 WeakPolarHBondContact O-CE 3.4Å; W37-K81 PolarHBondContact O-NZ 3.34Å; R77-K81 WeakPolarHBondContact O-CG 3.23Å; R77-K81 PolarHBondContact O-N 3.01Å; V79-K81 PolarHBondContact O-N 3.17Å; K81-L83 VanDerWaalsContact C-N 3.34Å; K81-L84 PolarHBondContact O-N 2.89Å; K81-L85 WeakPolarHBondContact O-CB 3.08Å; K81-L85 PolarHBondContact O-N 3.41Å
82S94.1Very high90.9Very high0 Ų039.2 Ų39.20%017%0.173CC..Hα-helixtrans-63-41.8173.9-56.20000111.2T32 R78 V79 Y80 L85 L86T32-S82 VanDerWaalsContact CG2-OG 3.3Å; T32-S82 WeakPolarHBondContact CG2-OG 3.49Å; R78-S82 WeakPolarHBondContact O-CB 3.39Å; R78-S82 PolarHBondContact O-N 3.46Å; R78-S82 PolarHBondContact O-OG 3.26Å; V79-S82 WeakPolarHBondContact O-CB 3.32Å; V79-S82 PolarHBondContact O-N 3.05Å; Y80-S82 VanDerWaalsContact C-N 3.34Å; Y80-S82 PolarHBondContact O-N 3.2Å; S82-L85 PolarHBondContact O-N 2.91Å; S82-L86 VanDerWaalsContact O-CB 3.26Å; S82-L86 WeakPolarHBondContact O-CB 3.18Å; S82-L86 PolarHBondContact O-N 2.9Å
83L94.2Very high91.4Very high0 Ų037.5 Ų37.50%016%0.164CC..Hα-helixtrans-65.9-38.3174-68.5161.2000112.8M68 V79 Y80 K81 A87 L108 L111 V128 V132 L135M68-L83 HydrophobicContact SD-CD2 3.62Å; M68-L83 HydrophobicContact SD-CG 3.72Å; V79-L83 HydrophobicContact CG1-CD1 4.17Å; V79-L83 WeakPolarHBondContact O-CG 3.43Å; V79-L83 PolarHBondContact O-N 3.35Å; Y80-L83 PolarHBondContact O-N 3.21Å; K81-L83 VanDerWaalsContact C-N 3.34Å; L83-A87 VanDerWaalsContact O-CB 3.28Å; L83-A87 WeakPolarHBondContact O-CB 3.4Å; L83-A87 PolarHBondContact O-N 3.03Å; L83-L108 HydrophobicContact CD2-CD2 3.91Å; L83-L111 HydrophobicContact CD2-CD1 4.41Å; L83-V128 HydrophobicContact CD1-CG1 3.81Å; L83-V132 HydrophobicContact CD1-CG2 3.5Å; L83-V132 VanDerWaalsContact CD1-CG2 3.5Å; L83-V132 HydrophobicContact CD2-CG2 3.83Å; L83-V132 HydrophobicContact CG-CG2 4.33Å; L83-L135 HydrophobicContact CD2-CD2 3.88Å
84L94.1Very high92Very high45 Ų4529.7 Ų29.724%0.23613%0.132CC..Hα-helixtrans-64.2-44.6173.7-70.1177.8000112P39 Y80 K81 A87 H88P39-L84 HydrophobicContact CG-CB 4.43Å; Y80-L84 HydrophobicContact CD1-CD1 4Å; Y80-L84 HydrophobicContact CD1-CG 4.45Å; Y80-L84 HydrophobicContact CE1-CD1 3.66Å; Y80-L84 HydrophobicContact CE1-CG 4.18Å; Y80-L84 WeakPolarHBondContact O-CG 3.17Å; Y80-L84 PolarHBondContact O-N 3.25Å; K81-L84 PolarHBondContact O-N 2.89Å; L84-A87 PolarHBondContact O-N 2.78Å; L84-H88 PolarHBondContact O-N 3.08Å
85L94.5Very high92.5Very high0 Ų028.8 Ų28.80%013%0.129CC..Hα-helixtrans-62.5-49.117517457000110.4V28 A31 T32 M44 I47 L64 K81 S82 A87 H88 L89V28-L85 HydrophobicContact CG1-CD2 4.29Å; A31-L85 HydrophobicContact CB-CD2 3.98Å; T32-L85 HydrophobicContact CG2-CD2 4.3Å; M44-L85 HydrophobicContact CB-CD1 4.29Å; M44-L85 HydrophobicContact CG-CD1 3.99Å; I47-L85 HydrophobicContact CB-CD1 4.29Å; I47-L85 HydrophobicContact CD1-CD1 3.94Å; I47-L85 HydrophobicContact CD1-CD2 3.94Å; I47-L85 HydrophobicContact CG2-CD1 4.22Å; L64-L85 HydrophobicContact CD1-CB 4.47Å; L64-L85 HydrophobicContact CD1-CD2 3.94Å; L64-L85 HydrophobicContact CD1-CG 4.3Å; K81-L85 WeakPolarHBondContact O-CB 3.08Å; K81-L85 PolarHBondContact O-N 3.41Å; S82-L85 PolarHBondContact O-N 2.91Å; L85-A87 VanDerWaalsContact C-N 3.35Å; L85-A87 PolarHBondContact O-N 3.36Å; L85-H88 CarbonylContact O-C 3.32Å; L85-H88 WeakPolarHBondContact O-CA 3.25Å; L85-H88 WeakPolarHBondContact O-CB 3.2Å; L85-H88 PolarHBondContact O-N 3.12Å; L85-L89 HydrophobicContact CD1-CD1 4.12Å; L85-L89 HydrophobicContact CD1-CD2 4.15Å; L85-L89 HydrophobicContact CD1-CG 3.91Å; L85-L89 HydrophobicContact CG-CD1 4.1Å; L85-L89 HydrophobicContact CG-CG 4.31Å; L85-L89 VanDerWaalsContact O-CG 3.31Å; L85-L89 WeakPolarHBondContact O-CG 3.13Å; L85-L89 PolarHBondContact O-N 3.15Å
86L94.9Very high92.9Very high0 Ų030.9 Ų30.90%014%0.135CC..Hα-helixtrans-56.3-46.8177.3-175.554.3000111.8M61 L64 W65 M68 S82 H88 L89 I90 V97 T101 L108 L135M61-L86 HydrophobicContact CE-CD1 4.16Å; L64-L86 HydrophobicContact CD2-CB 4.13Å; L64-L86 HydrophobicContact CD2-CD1 4.06Å; W65-L86 HydrophobicContact CH2-CD2 3.74Å; W65-L86 HydrophobicContact CZ2-CD2 4.36Å; W65-L86 HydrophobicContact CZ3-CD2 4.18Å; M68-L86 HydrophobicContact CE-CD2 3.93Å; S82-L86 VanDerWaalsContact O-CB 3.26Å; S82-L86 WeakPolarHBondContact O-CB 3.18Å; S82-L86 PolarHBondContact O-N 2.9Å; L86-H88 VanDerWaalsContact C-N 3.32Å; L86-H88 PolarHBondContact O-N 3.28Å; L86-L89 PolarHBondContact O-N 2.65Å; L86-I90 HydrophobicContact CD1-CD1 3.83Å; L86-I90 HydrophobicContact CD1-CG1 4.25Å; L86-I90 HydrophobicContact CG-CD1 3.74Å; L86-I90 WeakPolarHBondContact O-CD1 3.2Å; L86-I90 VanDerWaalsContact O-CG1 3.28Å; L86-I90 WeakPolarHBondContact O-CG1 3.47Å; L86-I90 PolarHBondContact O-N 2.9Å; L86-V97 HydrophobicContact CD1-CG1 4.12Å; L86-T101 HydrophobicContact CD2-CG2 4.41Å; L86-L108 HydrophobicContact CD2-CD1 4.4Å; L86-L108 HydrophobicContact CD2-CD2 4.09Å; L86-L135 HydrophobicContact CB-CD2 4.44Å; L86-L135 HydrophobicContact CD2-CD2 3.92Å; L86-L135 HydrophobicContact CG-CD2 4.1Å
87A93.4Very high93.1Very high8 Ų829.6 Ų29.67%0.06613%0.13CC..Hα-helixtrans-60.2-37.4174.800000113.1L83 L84 L85 R91 L135L83-A87 VanDerWaalsContact O-CB 3.28Å; L83-A87 WeakPolarHBondContact O-CB 3.4Å; L83-A87 PolarHBondContact O-N 3.03Å; L84-A87 PolarHBondContact O-N 2.78Å; L85-A87 VanDerWaalsContact C-N 3.35Å; L85-A87 PolarHBondContact O-N 3.36Å; A87-R91 WeakPolarHBondContact O-CG 3.21Å; A87-R91 PolarHBondContact O-N 2.82Å; A87-L135 HydrophobicContact CB-CD1 3.82Å
88H93.8Very high93.2Very high37 Ų3726.4 Ų26.417%0.17112%0.119CC..Hα-helixtrans-68.2-42.7173.5-179.392.4000112M44 L84 L85 L86 R91 N92M44-H88 HydrophobicContact CB-CB 4.46Å; M44-H88 PolarHBondContact O-CD2 3.17Å; M44-H88 PolarHBondContact O-NE2 3.31Å; M44-H88 HydrophobicContact SD-CB 3.92Å; L84-H88 PolarHBondContact O-N 3.08Å; L85-H88 CarbonylContact O-C 3.32Å; L85-H88 WeakPolarHBondContact O-CA 3.25Å; L85-H88 WeakPolarHBondContact O-CB 3.2Å; L85-H88 PolarHBondContact O-N 3.12Å; L86-H88 VanDerWaalsContact C-N 3.32Å; L86-H88 PolarHBondContact O-N 3.28Å; H88-R91 PolarHBondContact O-N 3.44Å; H88-N92 PolarHBondContact CE1-ND2 2.77Å; H88-N92 PolarHBondContact ND1-ND2 3.44Å; H88-N92 WeakPolarHBondContact O-CB 3.4Å; H88-N92 PolarHBondContact O-N 3.01Å; H88-N92 PolarHBondContact O-ND2 3.08Å
89L93.5Very high93.2Very high0 Ų028 Ų280%013%0.134CC..Hα-helixtrans-64.7-39.1178.7-64.7179.9000112I47 S48 T51 V60 L64 L85 L86 R91 N92 G93 V97I47-L89 HydrophobicContact CB-CD2 4.42Å; I47-L89 HydrophobicContact CG2-CD1 4.29Å; I47-L89 HydrophobicContact CG2-CD2 3.99Å; S48-L89 VanDerWaalsContact CA-CD2 3.45Å; T51-L89 HydrophobicContact CG2-CD1 4.28Å; T51-L89 HydrophobicContact CG2-CD2 3.98Å; V60-L89 HydrophobicContact CG1-CD1 4.14Å; L64-L89 HydrophobicContact CD2-CD1 3.85Å; L85-L89 HydrophobicContact CD1-CD1 4.12Å; L85-L89 HydrophobicContact CD1-CD2 4.15Å; L85-L89 HydrophobicContact CD1-CG 3.91Å; L85-L89 HydrophobicContact CG-CD1 4.1Å; L85-L89 HydrophobicContact CG-CG 4.31Å; L85-L89 VanDerWaalsContact O-CG 3.31Å; L85-L89 WeakPolarHBondContact O-CG 3.13Å; L85-L89 PolarHBondContact O-N 3.15Å; L86-L89 PolarHBondContact O-N 2.65Å; L89-R91 VanDerWaalsContact C-N 3.25Å; L89-R91 PolarHBondContact O-N 3Å; L89-N92 PolarHBondContact O-N 2.99Å; L89-G93 VanDerWaalsContact O-CA 3.23Å; L89-G93 WeakPolarHBondContact O-CA 3.44Å; L89-G93 PolarHBondContact O-N 3.01Å; L89-V97 HydrophobicContact CB-CG1 3.81Å; L89-V97 HydrophobicContact CB-CG2 4.28Å
90I93.4Very high93.3Very high0 Ų028.5 Ų28.50%014%0.137CC..Hα-helixtrans-65.1-29.5175.6-68.9158000111.5L86 V97 V98 T101 L135 F138 V139 L145 R149L86-I90 HydrophobicContact CD1-CD1 3.83Å; L86-I90 HydrophobicContact CD1-CG1 4.25Å; L86-I90 HydrophobicContact CG-CD1 3.74Å; L86-I90 WeakPolarHBondContact O-CD1 3.2Å; L86-I90 VanDerWaalsContact O-CG1 3.28Å; L86-I90 WeakPolarHBondContact O-CG1 3.47Å; L86-I90 PolarHBondContact O-N 2.9Å; I90-V97 HydrophobicContact CG1-CG1 3.79Å; I90-V98 HydrophobicContact CG2-CG2 4.47Å; I90-T101 HydrophobicContact CD1-CG2 3.83Å; I90-L135 HydrophobicContact CD1-CD1 3.77Å; I90-L135 HydrophobicContact CD1-CG 4.49Å; I90-F138 HydrophobicContact CG2-CD1 4.18Å; I90-F138 HydrophobicContact CG2-CE1 3.79Å; I90-V139 HydrophobicContact CD1-CG2 3.83Å; I90-V139 HydrophobicContact CG2-CG2 4.32Å; I90-L145 HydrophobicContact CG2-CD1 3.5Å; I90-R149 WeakPolarHBondContact O-CD 3.21Å; I90-R149 WeakPolarHBondContact O-CG 3.28Å; I90-R149 PolarHBondContact O-NH1 2.94Å
91R91.9Very high93.3Very high68 Ų6825 Ų2526%0.25712%0.124SC..Hα-helixtrans-88-30.5176.8-65.6-180-165.2-179.89.3114.6A87 H88 L89 E134 F138 A152A87-R91 WeakPolarHBondContact O-CG 3.21Å; A87-R91 PolarHBondContact O-N 2.82Å; H88-R91 PolarHBondContact O-N 3.44Å; L89-R91 VanDerWaalsContact C-N 3.25Å; L89-R91 PolarHBondContact O-N 3Å; R91-E134 IonicContact NH2-OE1 2.92Å; R91-E134 PolarHBondContact NH2-OE1 3.22Å; R91-F138 HydrophobicContact CG-CE1 3.58Å; R91-F138 HydrophobicContact CG-CZ 3.72Å; R91-A152 WeakPolarHBondContact O-CB 3.35Å
92N90.9Very high93.3Very high50 Ų5029 Ų2927%0.26714%0.139SC..Hα-helixtrans-126.3-18.2-168-60.5-91000115.4H88 L89H88-N92 PolarHBondContact CE1-ND2 2.77Å; H88-N92 PolarHBondContact ND1-ND2 3.44Å; H88-N92 WeakPolarHBondContact O-CB 3.4Å; H88-N92 PolarHBondContact O-N 3.01Å; H88-N92 PolarHBondContact O-ND2 3.08Å; L89-N92 PolarHBondContact O-N 2.99Å
93G91.1Very high93.3Very high0 Ų034.9 Ų34.90%017%0.166CC..SBendtrans-90-167.3-17900000113.3T51 F52 L89 R149T51-G93 WeakPolarHBondContact OG1-CA 3.28Å; F52-G93 WeakPolarHBondContact CZ-O 3.48Å; L89-G93 VanDerWaalsContact O-CA 3.23Å; L89-G93 WeakPolarHBondContact O-CA 3.44Å; L89-G93 PolarHBondContact O-N 3.01Å; G93-R149 PolarHBondContact O-NH1 2.86Å; G93-R149 PolarHBondContact O-NH2 2.96Å
94S93.3Very high93.2Very high16 Ų1637.2 Ų37.211%0.11218%0.177CC..  trans-65.7149.7-179.7-177.90000113.5T51 R96 V97T51-S94 WeakPolarHBondContact O-CB 3.26Å; T51-S94 PolarHBondContact OG1-N 3.29Å; S94-R96 PolarHBondContact O-N 2.97Å; S94-R96 VanDerWaalsContact O-N 3.15Å; S94-R96 PolarHBondContact OG-N 3.47Å; S94-V97 VanDerWaalsContact O-CB 3.32Å; S94-V97 WeakPolarHBondContact O-CB 3.38Å; S94-V97 VanDerWaalsContact O-CG2 3.32Å; S94-V97 WeakPolarHBondContact O-CG2 3.23Å; S94-V97 PolarHBondContact O-N 3.06Å
95E91.3Very high93.2Very high114 Ų11436.5 Ų36.553%0.53317%0.173SC..Hα-helixtrans-56.1-29.7173.2-56.1-55.9150.100111.9V97 V98 T99 R149E95-V97 PolarHBondContact O-N 3.26Å; E95-V97 VanDerWaalsContact O-N 3.1Å; E95-V98 WeakPolarHBondContact O-CA 3.42Å; E95-V98 VanDerWaalsContact O-CB 3.29Å; E95-V98 WeakPolarHBondContact O-CB 3.13Å; E95-V98 PolarHBondContact O-N 3.31Å; E95-T99 PolarHBondContact O-N 3.14Å; E95-R149 VanDerWaalsContact CD-NE 3.34Å; E95-R149 IonicContact OE1-CZ 2.79Å; E95-R149 VanDerWaalsContact OE1-CZ 3.31Å; E95-R149 IonicContact OE1-NE 2.71Å; E95-R149 PolarHBondContact OE1-NE 2.89Å; E95-R149 VanDerWaalsContact OE1-NE 3.11Å; E95-R149 IonicContact OE1-NH2 2.76Å; E95-R149 PolarHBondContact OE1-NH2 2.9Å; E95-R149 IonicContact OE2-CZ 3.21Å; E95-R149 IonicContact OE2-NE 3.08Å; E95-R149 PolarHBondContact OE2-NE 3.29Å; E95-R149 IonicContact OE2-NH2 3.37Å; E95-R149 PolarHBondContact OE2-NH2 2.96Å
96R92.9Very high93.1Very high79 Ų7945.8 Ų45.830%0.29821%0.21SC..Hα-helixtrans-55.1-29175.8-61.4174.573.7-169.78.2112.6Y54 F57 S94 V98 T99 S100Y54-R96 PolarHBondContact O-NH1 3.11Å; Y54-R96 VanDerWaalsContact O-NH1 3.08Å; F57-R96 VanDerWaalsContact CB-NH1 3.28Å; F57-R96 HydrophobicContact CD1-CB 4.47Å; F57-R96 HydrophobicContact CD2-CB 3.96Å; F57-R96 HydrophobicContact CE1-CB 4Å; F57-R96 HydrophobicContact CE2-CB 3.42Å; F57-R96 VanDerWaalsContact CE2-CB 3.42Å; F57-R96 HydrophobicContact CG-CB 4.47Å; F57-R96 HydrophobicContact CZ-CB 3.44Å; F57-R96 VanDerWaalsContact CZ-CB 3.44Å; F57-R96 WeakPolarHBondContact CZ-O 3.31Å; S94-R96 PolarHBondContact O-N 2.97Å; S94-R96 VanDerWaalsContact O-N 3.15Å; S94-R96 PolarHBondContact OG-N 3.47Å; R96-V98 VanDerWaalsContact C-N 3.34Å; R96-T99 PolarHBondContact O-N 3.13Å; R96-S100 PolarHBondContact O-N 2.95Å
97V94.5Very high93Very high0 Ų048.9 Ų48.90%023%0.226CC..Hα-helixtrans-63.8-41.3175.5-177.20000110.2T51 F57 M61 L86 L89 I90 S94 E95 S100 T101T51-V97 HydrophobicContact CG2-CG2 3.88Å; F57-V97 HydrophobicContact CE2-CG2 3.88Å; M61-V97 HydrophobicContact CE-CG1 4.2Å; M61-V97 HydrophobicContact SD-CG1 4.14Å; M61-V97 HydrophobicContact SD-CG2 4.26Å; L86-V97 HydrophobicContact CD1-CG1 4.12Å; L89-V97 HydrophobicContact CB-CG1 3.81Å; L89-V97 HydrophobicContact CB-CG2 4.28Å; I90-V97 HydrophobicContact CG1-CG1 3.79Å; S94-V97 VanDerWaalsContact O-CB 3.32Å; S94-V97 WeakPolarHBondContact O-CB 3.38Å; S94-V97 VanDerWaalsContact O-CG2 3.32Å; S94-V97 WeakPolarHBondContact O-CG2 3.23Å; S94-V97 PolarHBondContact O-N 3.06Å; E95-V97 PolarHBondContact O-N 3.26Å; E95-V97 VanDerWaalsContact O-N 3.1Å; V97-S100 PolarHBondContact O-N 2.68Å; V97-T101 WeakPolarHBondContact O-CB 3.49Å; V97-T101 PolarHBondContact O-N 3.32Å; V97-T101 PolarHBondContact O-OG1 3.46Å
98V93.4Very high93Very high10 Ų1048.5 Ų48.56%0.06122%0.223CC..Hα-helixtrans-62.1-48.1178-1750000110I90 E95 R96 S100 T101 R102 L145I90-V98 HydrophobicContact CG2-CG2 4.47Å; E95-V98 WeakPolarHBondContact O-CA 3.42Å; E95-V98 VanDerWaalsContact O-CB 3.29Å; E95-V98 WeakPolarHBondContact O-CB 3.13Å; E95-V98 PolarHBondContact O-N 3.31Å; R96-V98 VanDerWaalsContact C-N 3.34Å; V98-S100 PolarHBondContact O-N 2.87Å; V98-T101 PolarHBondContact O-N 3.14Å; V98-T101 VanDerWaalsContact O-N 3.16Å; V98-R102 WeakPolarHBondContact O-CG 3.45Å; V98-R102 PolarHBondContact O-N 2.86Å; V98-L145 HydrophobicContact CB-CD2 4.42Å; V98-L145 HydrophobicContact CG1-CD2 3.52Å; V98-L145 HydrophobicContact CG2-CD2 3.98Å
99T93.7Very high92.9Very high81 Ų8151.4 Ų51.450%0.49723%0.232SC..Hα-helixtrans-56.6-52.3176.9-43.60000111.2E95 R96 T101 R102 E103E95-T99 PolarHBondContact O-N 3.14Å; R96-T99 PolarHBondContact O-N 3.13Å; T99-T101 PolarHBondContact O-N 2.79Å; T99-R102 PolarHBondContact O-N 3.16Å; T99-E103 WeakPolarHBondContact O-CG 3.37Å; T99-E103 PolarHBondContact O-N 3.32Å
100S93Very high92.8Very high11 Ų1154.5 Ų54.58%0.07725%0.254CS..Hα-helixtrans-62.6-30.5178.4-1730000113.2W65 R96 V97 V98 E103 H104W65-S100 PolarHBondContact NE1-OG 2.94Å; R96-S100 PolarHBondContact O-N 2.95Å; V97-S100 PolarHBondContact O-N 2.68Å; V98-S100 PolarHBondContact O-N 2.87Å; S100-E103 WeakPolarHBondContact CA-OE2 3.42Å; S100-H104 PolarHBondContact O-N 2.85Å; S100-H104 VanDerWaalsContact O-N 3.15Å; S100-H104 PolarHBondContact O-ND1 2.99Å
101T93.9Very high92.7Very high0 Ų054.6 Ų54.60%026%0.255CS..Hα-helixtrans-72.2-33.1174.4-50.40000112.4W65 L86 I90 V97 V98 T99 H104 L105 L108 V139W65-T101 HydrophobicContact CH2-CG2 4.36Å; L86-T101 HydrophobicContact CD2-CG2 4.41Å; I90-T101 HydrophobicContact CD1-CG2 3.83Å; V97-T101 WeakPolarHBondContact O-CB 3.49Å; V97-T101 PolarHBondContact O-N 3.32Å; V97-T101 PolarHBondContact O-OG1 3.46Å; V98-T101 PolarHBondContact O-N 3.14Å; V98-T101 VanDerWaalsContact O-N 3.16Å; T99-T101 PolarHBondContact O-N 2.79Å; T101-H104 CarbonylContact O-C 3.6Å; T101-L105 PolarHBondContact O-N 3.07Å; T101-L105 VanDerWaalsContact O-N 3.17Å; T101-L108 HydrophobicContact CG2-CD1 3.59Å; T101-V139 HydrophobicContact CG2-CG1 4.05Å; T101-V139 HydrophobicContact CG2-CG2 3.85Å
102R93.4Very high92.6Very high90 Ų9054.8 Ų54.834%0.3426%0.258SS..Hα-helixtrans-73.2-34.7174.9-71.1-179179.5170.88.8112.1V98 T99 L105 V139 D142V98-R102 WeakPolarHBondContact O-CG 3.45Å; V98-R102 PolarHBondContact O-N 2.86Å; T99-R102 PolarHBondContact O-N 3.16Å; R102-L105 WeakPolarHBondContact O-CB 3.21Å; R102-L105 PolarHBondContact O-N 3.11Å; R102-V139 HydrophobicContact CG-CG1 3.7Å; R102-V139 PolarHBondContact NE-O 3.44Å; R102-V139 PolarHBondContact NH2-O 3.15Å; R102-D142 IonicContact CZ-OD1 2.86Å; R102-D142 IonicContact CZ-OD2 2.65Å; R102-D142 VanDerWaalsContact NH1-CG 3.32Å; R102-D142 IonicContact NH1-OD1 2.71Å; R102-D142 PolarHBondContact NH1-OD1 2.97Å; R102-D142 VanDerWaalsContact NH1-OD1 3.08Å; R102-D142 IonicContact NH1-OD2 4Å; R102-D142 PolarHBondContact NH1-OD2 3.43Å; R102-D142 IonicContact NH2-OD1 2.62Å; R102-D142 PolarHBondContact NH2-OD1 3.25Å; R102-D142 IonicContact NH2-OD2 3.55Å; R102-D142 PolarHBondContact NH2-OD2 2.71Å
103E93.6Very high92.5Very high124 Ų12456.8 Ų56.858%0.57928%0.277SS*.Hα-helixtrans-60-49.3170.4-68159.9-172.400111.3T99 S100 L105T99-E103 WeakPolarHBondContact O-CG 3.37Å; T99-E103 PolarHBondContact O-N 3.32Å; S100-E103 WeakPolarHBondContact CA-OE2 3.42Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-L105 PolarHBondContact O-N 3.31Å
104H93.6Very high92.5Very high49 Ų4957.5 Ų57.523%0.22728%0.279CS..THydrogen-bonded Turntrans-88.521.5-178.8-61.181.2000113.3W65 S100 T101 Y106 D107 L108W65-H104 HydrophobicContact CD2-CB 4.11Å; W65-H104 AromaticContact CD2-CG 3.91Å; W65-H104 AromaticContact CE2-CG 3.65Å; W65-H104 AromaticContact CE2-ND1 3.73Å; W65-H104 HydrophobicContact CE3-CB 3.97Å; W65-H104 HydrophobicContact CH2-CB 3.47Å; W65-H104 VanDerWaalsContact CH2-CB 3.47Å; W65-H104 HydrophobicContact CZ2-CB 3.58Å; W65-H104 AromaticContact CZ2-CG 3.86Å; W65-H104 AromaticContact CZ2-ND1 3.99Å; W65-H104 HydrophobicContact CZ3-CB 3.64Å; W65-H104 AromaticContact NE1-CE1 3.79Å; W65-H104 AromaticContact NE1-CG 3.9Å; W65-H104 AromaticContact NE1-ND1 3.58Å; S100-H104 PolarHBondContact O-N 2.85Å; S100-H104 VanDerWaalsContact O-N 3.15Å; S100-H104 PolarHBondContact O-ND1 2.99Å; T101-H104 CarbonylContact O-C 3.6Å; H104-Y106 PolarHBondContact O-N 2.96Å; H104-D107 HydrophobicContact CB-CB 4.49Å; H104-D107 IonicContact CD2-OD2 3.74Å; H104-D107 PolarHBondContact CD2-OD2 3.01Å; H104-D107 PolarHBondContact O-N 2.91Å; H104-D107 VanDerWaalsContact O-N 3.12Å; H104-L108 PolarHBondContact O-N 3.38Å; H104-L108 VanDerWaalsContact O-N 3.08Å
105L92.8Very high92.2Very high30 Ų3063 Ų6316%0.15730%0.303CS..Hα-helixtrans-62-34.1-178.4-167.470.7000111.4T101 R102 E103 L108 R109 I136T101-L105 PolarHBondContact O-N 3.07Å; T101-L105 VanDerWaalsContact O-N 3.17Å; R102-L105 WeakPolarHBondContact O-CB 3.21Å; R102-L105 PolarHBondContact O-N 3.11Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-L105 PolarHBondContact O-N 3.31Å; L105-L108 PolarHBondContact O-N 3.04Å; L105-R109 VanDerWaalsContact O-CG 3.31Å; L105-R109 WeakPolarHBondContact O-CG 3.24Å; L105-R109 PolarHBondContact O-N 3.38Å; L105-I136 HydrophobicContact CD1-CG1 4.17Å; L105-I136 HydrophobicContact CD1-CG2 4.32Å
106Y93.3Very high92Very high194 Ų19459.4 Ų59.476%0.76129%0.286SS*.Hα-helixtrans-64.5-39.3175-65.8-76.8000112.9H104 R109 S110H104-Y106 PolarHBondContact O-N 2.96Å; Y106-R109 PolarHBondContact O-N 3.43Å; Y106-S110 PolarHBondContact O-N 3.34Å
107D92.8Very high91.8Very high65 Ų6558.9 Ų58.935%0.34829%0.291SS..Hα-helixtrans-66.6-40.4175.2-65.6-60000111.3L69 H104 S110L69-D107 HydrophobicContact CD1-CB 3.67Å; L69-D107 HydrophobicContact CD2-CB 3.98Å; L69-D107 HydrophobicContact CG-CB 4.5Å; H104-D107 HydrophobicContact CB-CB 4.49Å; H104-D107 IonicContact CD2-OD2 3.74Å; H104-D107 PolarHBondContact CD2-OD2 3.01Å; H104-D107 PolarHBondContact O-N 2.91Å; H104-D107 VanDerWaalsContact O-N 3.12Å; D107-S110 WeakPolarHBondContact O-CB 3.3Å; D107-S110 PolarHBondContact O-N 3.18Å; D107-S110 PolarHBondContact O-OG 2.84Å
108L92.5Very high91.4Very high0 Ų060.6 Ų60.60%030%0.3CS..Hα-helixtrans-61.3-43.3171.2-69.7-179.1000111.5W65 M68 L83 L86 T101 H104 L105 S110 L111 V132 L135 I136W65-L108 HydrophobicContact CH2-CD1 4.25Å; W65-L108 HydrophobicContact CH2-CD2 4.26Å; W65-L108 HydrophobicContact CH2-CG 4.1Å; W65-L108 HydrophobicContact CZ3-CD2 3.88Å; W65-L108 HydrophobicContact CZ3-CG 3.98Å; M68-L108 HydrophobicContact CE-CD2 3.8Å; M68-L108 HydrophobicContact SD-CD2 4.37Å; L83-L108 HydrophobicContact CD2-CD2 3.91Å; L86-L108 HydrophobicContact CD2-CD1 4.4Å; L86-L108 HydrophobicContact CD2-CD2 4.09Å; T101-L108 HydrophobicContact CG2-CD1 3.59Å; H104-L108 PolarHBondContact O-N 3.38Å; H104-L108 VanDerWaalsContact O-N 3.08Å; L105-L108 PolarHBondContact O-N 3.04Å; L108-S110 PolarHBondContact O-N 2.85Å; L108-L111 HydrophobicContact CD2-CD1 4.46Å; L108-L111 WeakPolarHBondContact O-CA 3.35Å; L108-L111 WeakPolarHBondContact O-CB 3.43Å; L108-L111 PolarHBondContact O-N 3.48Å; L108-V132 WeakPolarHBondContact O-CG1 3.2Å; L108-L135 HydrophobicContact CD1-CD2 4.44Å; L108-I136 HydrophobicContact CB-CD1 3.86Å; L108-I136 HydrophobicContact CB-CG1 3.96Å; L108-I136 HydrophobicContact CD1-CG1 4.43Å
109R92.6Very high91.1Very high98 Ų9869.4 Ų69.437%0.3734%0.341SS..Hα-helixtrans-59.4-32.3175.5-71.6-169.2-178.6-72.58.1112.7L105 Y106 L111 E112 I136L105-R109 VanDerWaalsContact O-CG 3.31Å; L105-R109 WeakPolarHBondContact O-CG 3.24Å; L105-R109 PolarHBondContact O-N 3.38Å; Y106-R109 PolarHBondContact O-N 3.43Å; R109-L111 PolarHBondContact O-N 3.44Å; R109-E112 WeakPolarHBondContact CG-OE1 3.5Å; R109-E112 IonicContact CZ-OE1 3.63Å; R109-E112 IonicContact NH1-OE1 2.7Å; R109-E112 PolarHBondContact NH1-OE1 3.43Å; R109-E112 WeakPolarHBondContact O-CB 3.41Å; R109-E112 PolarHBondContact O-N 2.91Å; R109-E112 VanDerWaalsContact O-N 3.07Å; R109-I136 HydrophobicContact CG-CD1 3.92Å
110S91.4Very high90.7Very high65 Ų6571.6 Ų71.646%0.45535%0.35SS..Hα-helixtrans-62.5-21.8173.385.80000113.6Y106 D107 L108 S113Y106-S110 PolarHBondContact O-N 3.34Å; D107-S110 WeakPolarHBondContact O-CB 3.3Å; D107-S110 PolarHBondContact O-N 3.18Å; D107-S110 PolarHBondContact O-OG 2.84Å; L108-S110 PolarHBondContact O-N 2.85Å; S110-S113 PolarHBondContact O-OG 3.44Å
111L90.4Very high90.4Very high2 Ų273.9 Ų73.91%0.0138%0.375CS..THydrogen-bonded Turntrans-89.1-9.8176.4-54.9175000113.1M68 L69 V79 L83 L108 R109 S113 Y114 V132M68-L111 HydrophobicContact CG-CD1 4Å; M68-L111 HydrophobicContact SD-CD1 4.24Å; L69-L111 HydrophobicContact CD2-CD1 4.2Å; L69-L111 HydrophobicContact CD2-CG 4.48Å; V79-L111 HydrophobicContact CG1-CD1 4.13Å; V79-L111 HydrophobicContact CG1-CD2 4.25Å; L83-L111 HydrophobicContact CD2-CD1 4.41Å; L108-L111 HydrophobicContact CD2-CD1 4.46Å; L108-L111 WeakPolarHBondContact O-CA 3.35Å; L108-L111 WeakPolarHBondContact O-CB 3.43Å; L108-L111 PolarHBondContact O-N 3.48Å; R109-L111 PolarHBondContact O-N 3.44Å; L111-S113 PolarHBondContact O-N 3.19Å; L111-Y114 HydrophobicContact CD2-CD2 4.26Å; L111-Y114 WeakPolarHBondContact O-CB 3.39Å; L111-Y114 PolarHBondContact O-N 3.05Å; L111-Y114 VanDerWaalsContact O-N 3.15Å; L111-V132 HydrophobicContact CB-CB 4.45Å; L111-V132 HydrophobicContact CB-CG1 4.14Å; L111-V132 HydrophobicContact CB-CG2 3.53Å; L111-V132 HydrophobicContact CD1-CG2 4.38Å
112E90.2Very high90.1Very high72 Ų7280.2 Ų80.234%0.33640%0.402SS..THydrogen-bonded Turntrans-62.6-28.9172.5-70-177-142.900111.6R109 R129 V132 I136R109-E112 WeakPolarHBondContact CG-OE1 3.5Å; R109-E112 IonicContact CZ-OE1 3.63Å; R109-E112 IonicContact NH1-OE1 2.7Å; R109-E112 PolarHBondContact NH1-OE1 3.43Å; R109-E112 WeakPolarHBondContact O-CB 3.41Å; R109-E112 PolarHBondContact O-N 2.91Å; R109-E112 VanDerWaalsContact O-N 3.07Å; E112-R129 WeakPolarHBondContact O-CD 3.3Å; E112-R129 WeakPolarHBondContact O-CG 3.49Å; E112-V132 HydrophobicContact CG-CG1 3.71Å; E112-I136 HydrophobicContact CG-CD1 3.88Å; E112-I136 VanDerWaalsContact OE1-CD1 3.28Å; E112-I136 WeakPolarHBondContact OE1-CD1 3.32Å
113S89.5Confident90Very high93 Ų9378.3 Ų78.365%0.6540%0.399SS*.THydrogen-bonded Turntrans-97.910.4176.8600000113.8S110 L111 H115S110-S113 PolarHBondContact O-OG 3.44Å; L111-S113 PolarHBondContact O-N 3.19Å; S113-H115 PolarHBondContact O-N 3.12Å
114Y89.5Confident89.8Confident14 Ų1474.1 Ų74.16%0.05538%0.379CS..  trans-61.7120.8-176.4-176.1-89.9000112.6N72 W76 V79 L111 F116 V128 R129N72-Y114 HydrophobicContact CB-CE2 4.27Å; N72-Y114 PolarHBondContact O-OH 3.27Å; W76-Y114 VanDerWaalsContact CA-OH 3.3Å; W76-Y114 WeakPolarHBondContact CA-OH 3.18Å; W76-Y114 HydrophobicContact CB-CE1 3.99Å; W76-Y114 WeakPolarHBondContact CB-OH 3.33Å; W76-Y114 PolarHBondContact N-OH 2.72Å; V79-Y114 HydrophobicContact CG2-CE2 4.31Å; L111-Y114 HydrophobicContact CD2-CD2 4.26Å; L111-Y114 WeakPolarHBondContact O-CB 3.39Å; L111-Y114 PolarHBondContact O-N 3.05Å; L111-Y114 VanDerWaalsContact O-N 3.15Å; Y114-F116 HydrophobicContact CE1-CB 3.69Å; Y114-V128 HydrophobicContact CD1-CB 3.78Å; Y114-V128 HydrophobicContact CD1-CG1 3.81Å; Y114-V128 HydrophobicContact CD1-CG2 3.99Å; Y114-V128 HydrophobicContact CE1-CB 4.35Å; Y114-V128 HydrophobicContact CE1-CG1 4.47Å; Y114-V128 HydrophobicContact CE1-CG2 4.04Å; Y114-V128 HydrophobicContact CG-CB 4.4Å; Y114-V128 HydrophobicContact CG-CG1 3.95Å; Y114-R129 WeakPolarHBondContact O-CD 3.33Å; Y114-R129 WeakPolarHBondContact O-CG 3.29Å; Y114-R129 PolarHBondContact O-NH1 3.43Å
115H87.9Confident89.6Confident132 Ų13271.8 Ų71.861%0.61137%0.368SS*.  trans-120.9120.7-177.5-177-93.9000110.6S113S113-H115 PolarHBondContact O-N 3.12Å
116F88Confident89.6Confident38 Ų3873.4 Ų73.417%0.16738%0.38CS..  trans-142117.5174.9-178.7-81.4000109.3K73 W76 Y114 D118 D123 Q124 G125K73-F116 WeakPolarHBondContact O-CD2 3.41Å; W76-F116 HydrophobicContact CB-CB 4.29Å; W76-F116 HydrophobicContact CB-CD1 4.22Å; W76-F116 HydrophobicContact CB-CD2 4.45Å; W76-F116 HydrophobicContact CB-CG 4.05Å; W76-F116 AromaticContact CD1-CD1 3.41Å; W76-F116 VanDerWaalsContact CD1-CD1 3.41Å; W76-F116 AromaticContact CD1-CE1 3.26Å; W76-F116 AromaticContact CD1-CG 3.99Å; W76-F116 AromaticContact CD1-CZ 3.72Å; W76-F116 AromaticContact CG-CD1 3.98Å; W76-F116 HydrophobicContact CG-CD1 3.98Å; W76-F116 HydrophobicContact CG-CE1 4.24Å; W76-F116 HydrophobicContact CG-CG 4.3Å; W76-F116 AromaticContact NE1-CE1 3.72Å; Y114-F116 HydrophobicContact CE1-CB 3.69Å; F116-D118 HydrophobicContact CE1-CB 4.26Å; F116-D123 CarbonylContact O-C 3.59Å; F116-D123 WeakPolarHBondContact O-CA 3.33Å; F116-Q124 HydrophobicContact CD1-CB 3.98Å; F116-Q124 HydrophobicContact CD1-CG 4.21Å; F116-Q124 HydrophobicContact CE1-CG 4.44Å; F116-Q124 PolarHBondContact O-N 3.35Å; F116-G125 PolarHBondContact O-N 3.07Å
117V87.5Confident89.5Confident68 Ų6867.7 Ų67.741%0.41236%0.362SS..BIsolated β-bridgetrans-104.5126172.2177.80000108.3K122 D123V117-K122 CarbonylContact C-O 3.54Å; V117-K122 WeakPolarHBondContact CA-O 3.44Å; V117-D123 HydrophobicContact CG2-CB 4.42Å
118D86.8Confident89.5Confident36 Ų3664.6 Ų64.619%0.19335%0.346CS..  trans-70.4164.3-180-140.1-25.2000112F116 N120 G121 K122 Q124F116-D118 HydrophobicContact CE1-CB 4.26Å; D118-N120 PolarHBondContact O-N 3.37Å; D118-G121 PolarHBondContact O-N 2.63Å; D118-K122 HydrophobicContact CB-CB 4.36Å; D118-K122 WeakPolarHBondContact CB-O 3.41Å; D118-K122 PolarHBondContact N-O 2.86Å; D118-Q124 HydrophobicContact CB-CG 3.98Å; D118-Q124 WeakPolarHBondContact OD2-CG 3.48Å; D118-Q124 PolarHBondContact OD2-NE2 3.13Å
119E86.6Confident89.6Confident196 Ų19667.7 Ų67.792%0.91636%0.357SS*.THydrogen-bonded Turntrans-59.5-21.4177-63.4-177.6155.500112.5G121E119-G121 VanDerWaalsContact C-N 3.33Å
120N85.4Confident89.7Confident127 Ų12768.9 Ų68.968%0.67937%0.367SS*.THydrogen-bonded Turntrans-89.114.9173.5-49.6134.6000114.2D118 K122D118-N120 PolarHBondContact O-N 3.37Å; N120-K122 VanDerWaalsContact C-N 3.3Å; N120-K122 PolarHBondContact O-N 3.38Å
121G86.3Confident89.8Confident59 Ų5967.6 Ų67.661%0.60835%0.353SS*.SBendtrans72.714.2178.900000115.3D118 E119D118-G121 PolarHBondContact O-N 2.63Å; E119-G121 VanDerWaalsContact C-N 3.33Å
122K88.9Confident90Very high133 Ų13367.5 Ų67.558%0.57835%0.353SS*.  trans-96.1125.8-177.7-64.5-178.8179.51790111.1V117 D118 N120 Q124V117-K122 CarbonylContact C-O 3.54Å; V117-K122 WeakPolarHBondContact CA-O 3.44Å; D118-K122 HydrophobicContact CB-CB 4.36Å; D118-K122 WeakPolarHBondContact CB-O 3.41Å; D118-K122 PolarHBondContact N-O 2.86Å; N120-K122 VanDerWaalsContact C-N 3.3Å; N120-K122 PolarHBondContact O-N 3.38Å; K122-Q124 PolarHBondContact O-N 3.2Å; K122-Q124 VanDerWaalsContact O-N 3.09Å
123D91.2Very high90.2Very high50 Ų5069.7 Ų69.727%0.26736%0.361SS..BIsolated β-bridgetrans-69.1104.9169.1-178.34.9000109.7F116 V117 G125 V126 R129F116-D123 CarbonylContact O-C 3.59Å; F116-D123 WeakPolarHBondContact O-CA 3.33Å; V117-D123 HydrophobicContact CG2-CB 4.42Å; D123-G125 WeakPolarHBondContact OD1-CA 3.43Å; D123-G125 PolarHBondContact OD1-N 3.46Å; D123-V126 WeakPolarHBondContact O-CG1 3.45Å; D123-V126 PolarHBondContact OD1-N 3.05Å; D123-R129 IonicContact OD1-NH1 3.11Å; D123-R129 PolarHBondContact OD1-NH1 3.19Å; D123-R129 IonicContact OD2-CZ 3.33Å; D123-R129 VanDerWaalsContact OD2-CZ 3.3Å; D123-R129 IonicContact OD2-NH1 2.88Å; D123-R129 PolarHBondContact OD2-NH1 2.96Å; D123-R129 IonicContact OD2-NH2 2.69Å; D123-R129 PolarHBondContact OD2-NH2 3.32Å
124Q88.8Confident90.4Very high35 Ų3568.1 Ų68.116%0.16434%0.344CS..  trans-86.6-20.4171.5-54.3-75.912.700111.1W76 F116 D118 K122 V126 N127W76-Q124 HydrophobicContact CD2-CB 3.58Å; W76-Q124 HydrophobicContact CD2-CG 4.19Å; W76-Q124 HydrophobicContact CE3-CB 4Å; W76-Q124 HydrophobicContact CG-CB 3.92Å; W76-Q124 HydrophobicContact CH2-CB 4.3Å; W76-Q124 HydrophobicContact CH2-CG 4.41Å; W76-Q124 HydrophobicContact CZ2-CB 3.92Å; W76-Q124 VanDerWaalsContact CZ2-CD 3.49Å; W76-Q124 HydrophobicContact CZ2-CG 3.72Å; W76-Q124 HydrophobicContact CZ3-CB 4.35Å; F116-Q124 HydrophobicContact CD1-CB 3.98Å; F116-Q124 HydrophobicContact CD1-CG 4.21Å; F116-Q124 HydrophobicContact CE1-CG 4.44Å; F116-Q124 PolarHBondContact O-N 3.35Å; D118-Q124 HydrophobicContact CB-CG 3.98Å; D118-Q124 WeakPolarHBondContact OD2-CG 3.48Å; D118-Q124 PolarHBondContact OD2-NE2 3.13Å; K122-Q124 PolarHBondContact O-N 3.2Å; K122-Q124 VanDerWaalsContact O-N 3.09Å; Q124-V126 PolarHBondContact O-N 3.17Å; Q124-N127 PolarHBondContact O-N 2.93Å
125G90.1Very high90.7Very high0 Ų067.6 Ų67.60%034%0.342CS..Hα-helixtrans-61.8-27.8175.700000112.9F116 D123 N127 V128 R129F116-G125 PolarHBondContact O-N 3.07Å; D123-G125 WeakPolarHBondContact OD1-CA 3.43Å; D123-G125 PolarHBondContact OD1-N 3.46Å; G125-N127 PolarHBondContact O-N 3.5Å; G125-V128 CarbonylContact O-C 3.54Å; G125-V128 WeakPolarHBondContact O-CA 3.35Å; G125-V128 WeakPolarHBondContact O-CB 3.31Å; G125-V128 PolarHBondContact O-N 3.03Å; G125-R129 VanDerWaalsContact C-NH1 3.29Å; G125-R129 WeakPolarHBondContact O-CG 3.37Å; G125-R129 PolarHBondContact O-N 3.32Å
126V91.9Very high90.9Very high65 Ų6561.5 Ų61.539%0.39431%0.314SS..Hα-helixtrans-54.6-38.617673.50000112.8D123 Q124 V128 R129 Q130D123-V126 WeakPolarHBondContact O-CG1 3.45Å; D123-V126 PolarHBondContact OD1-N 3.05Å; Q124-V126 PolarHBondContact O-N 3.17Å; V126-V128 VanDerWaalsContact C-N 3.34Å; V126-R129 PolarHBondContact O-N 3.42Å; V126-Q130 WeakPolarHBondContact O-CB 3.3Å; V126-Q130 PolarHBondContact O-N 2.89Å
127N91.4Very high91.2Very high74 Ų7464.5 Ų64.540%0.39633%0.328SS..Hα-helixtrans-68.4-35.4177.2-63.6-49.1000111.7Y80 Q124 G125 K131Y80-N127 HydrophobicContact CD2-CB 4.42Å; Y80-N127 HydrophobicContact CE2-CB 4.14Å; Q124-N127 PolarHBondContact O-N 2.93Å; G125-N127 PolarHBondContact O-N 3.5Å; N127-K131 VanDerWaalsContact O-CB 3.25Å; N127-K131 WeakPolarHBondContact O-CB 3.5Å; N127-K131 PolarHBondContact O-N 3Å; N127-K131 VanDerWaalsContact O-N 3.16Å
128V92.8Very high91.5Very high0 Ų061.3 Ų61.30%031%0.309CS..Hα-helixtrans-66.3-55.4173.2179.40000109.6V79 Y80 L83 Y114 G125 V126 Q130 K131 V132V79-V128 HydrophobicContact CG1-CG1 3.85Å; Y80-V128 HydrophobicContact CD2-CG2 4.41Å; L83-V128 HydrophobicContact CD1-CG1 3.81Å; Y114-V128 HydrophobicContact CD1-CB 3.78Å; Y114-V128 HydrophobicContact CD1-CG1 3.81Å; Y114-V128 HydrophobicContact CD1-CG2 3.99Å; Y114-V128 HydrophobicContact CE1-CB 4.35Å; Y114-V128 HydrophobicContact CE1-CG1 4.47Å; Y114-V128 HydrophobicContact CE1-CG2 4.04Å; Y114-V128 HydrophobicContact CG-CB 4.4Å; Y114-V128 HydrophobicContact CG-CG1 3.95Å; G125-V128 CarbonylContact O-C 3.54Å; G125-V128 WeakPolarHBondContact O-CA 3.35Å; G125-V128 WeakPolarHBondContact O-CB 3.31Å; G125-V128 PolarHBondContact O-N 3.03Å; V126-V128 VanDerWaalsContact C-N 3.34Å; V128-Q130 VanDerWaalsContact C-N 3.35Å; V128-Q130 PolarHBondContact O-N 2.99Å; V128-K131 PolarHBondContact O-N 3.26Å; V128-K131 VanDerWaalsContact O-N 3.11Å; V128-V132 HydrophobicContact CG1-CG2 4.1Å; V128-V132 WeakPolarHBondContact O-CB 3.4Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 3.45Å
129R94.4Very high91.7Very high64 Ų6459.7 Ų59.724%0.24230%0.3CS..Hα-helixtrans-54.8-47.4-178.5-62.4-169.8-59.7-87.57.6112.2E112 Y114 D123 G125 V126 V132 K133E112-R129 WeakPolarHBondContact O-CD 3.3Å; E112-R129 WeakPolarHBondContact O-CG 3.49Å; Y114-R129 WeakPolarHBondContact O-CD 3.33Å; Y114-R129 WeakPolarHBondContact O-CG 3.29Å; Y114-R129 PolarHBondContact O-NH1 3.43Å; D123-R129 IonicContact OD1-NH1 3.11Å; D123-R129 PolarHBondContact OD1-NH1 3.19Å; D123-R129 IonicContact OD2-CZ 3.33Å; D123-R129 VanDerWaalsContact OD2-CZ 3.3Å; D123-R129 IonicContact OD2-NH1 2.88Å; D123-R129 PolarHBondContact OD2-NH1 2.96Å; D123-R129 IonicContact OD2-NH2 2.69Å; D123-R129 PolarHBondContact OD2-NH2 3.32Å; G125-R129 VanDerWaalsContact C-NH1 3.29Å; G125-R129 WeakPolarHBondContact O-CG 3.37Å; G125-R129 PolarHBondContact O-N 3.32Å; V126-R129 PolarHBondContact O-N 3.42Å; R129-V132 PolarHBondContact O-N 3.23Å; R129-K133 PolarHBondContact O-N 3.4Å
130Q94.4Very high91.9Very high124 Ų12455.4 Ų55.458%0.57928%0.28SS*.Hα-helixtrans-65.2-40.3179-176.859.822.800112.2V126 V128 K133 E134V126-Q130 WeakPolarHBondContact O-CB 3.3Å; V126-Q130 PolarHBondContact O-N 2.89Å; V128-Q130 VanDerWaalsContact C-N 3.35Å; V128-Q130 PolarHBondContact O-N 2.99Å; Q130-K133 PolarHBondContact O-N 2.89Å; Q130-E134 PolarHBondContact O-N 2.82Å
131K93.3Very high92.2Very high37 Ų3752.4 Ų52.416%0.16126%0.264CS..Hα-helixtrans-74-33-179.6-165.650.6159.4-1790113Y80 N127 V128 E134 L135Y80-K131 HydrophobicContact CD2-CB 4.49Å; Y80-K131 HydrophobicContact CE2-CB 3.99Å; Y80-K131 HydrophobicContact CE2-CG 4.2Å; N127-K131 VanDerWaalsContact O-CB 3.25Å; N127-K131 WeakPolarHBondContact O-CB 3.5Å; N127-K131 PolarHBondContact O-N 3Å; N127-K131 VanDerWaalsContact O-N 3.16Å; V128-K131 PolarHBondContact O-N 3.26Å; V128-K131 VanDerWaalsContact O-N 3.11Å; K131-E134 VanDerWaalsContact CD-OE2 3.25Å; K131-E134 WeakPolarHBondContact CD-OE2 3.34Å; K131-E134 IonicContact NZ-OE1 3.5Å; K131-E134 PolarHBondContact NZ-OE1 3.32Å; K131-E134 IonicContact NZ-OE2 3.54Å; K131-E134 PolarHBondContact NZ-OE2 3.33Å; K131-L135 VanDerWaalsContact O-CB 3.27Å; K131-L135 WeakPolarHBondContact O-CB 3.44Å; K131-L135 PolarHBondContact O-N 3.21Å
132V95.2Very high92.3Very high0 Ų052.6 Ų52.60%025%0.251CS..Hα-helixtrans-60.9-47.9169.4171.20000110.2L83 L108 L111 E112 V128 R129 L135 I136L83-V132 HydrophobicContact CD1-CG2 3.5Å; L83-V132 VanDerWaalsContact CD1-CG2 3.5Å; L83-V132 HydrophobicContact CD2-CG2 3.83Å; L83-V132 HydrophobicContact CG-CG2 4.33Å; L108-V132 WeakPolarHBondContact O-CG1 3.2Å; L111-V132 HydrophobicContact CB-CB 4.45Å; L111-V132 HydrophobicContact CB-CG1 4.14Å; L111-V132 HydrophobicContact CB-CG2 3.53Å; L111-V132 HydrophobicContact CD1-CG2 4.38Å; E112-V132 HydrophobicContact CG-CG1 3.71Å; V128-V132 HydrophobicContact CG1-CG2 4.1Å; V128-V132 WeakPolarHBondContact O-CB 3.4Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 3.45Å; R129-V132 PolarHBondContact O-N 3.23Å; V132-L135 WeakPolarHBondContact O-CB 3.39Å; V132-L135 PolarHBondContact O-N 3.05Å; V132-I136 HydrophobicContact CG1-CD1 3.52Å; V132-I136 HydrophobicContact CG1-CG1 4.26Å; V132-I136 WeakPolarHBondContact O-CB 3.23Å; V132-I136 WeakPolarHBondContact O-CG1 3.33Å; V132-I136 PolarHBondContact O-N 3.37Å
133K94.7Very high92.3Very high119 Ų11951 Ų5152%0.51725%0.249SC..Hα-helixtrans-60.7-48.6179.3-172.6177.3178-178.80112.3R129 Q130 L135 I136 E137R129-K133 PolarHBondContact O-N 3.4Å; Q130-K133 PolarHBondContact O-N 2.89Å; K133-L135 VanDerWaalsContact C-N 3.25Å; K133-L135 PolarHBondContact O-N 2.9Å; K133-I136 PolarHBondContact O-N 3Å; K133-E137 WeakPolarHBondContact O-CB 3.13Å; K133-E137 PolarHBondContact O-N 3.49Å
134E94.3Very high92.2Very high59 Ų5953.2 Ų53.228%0.27625%0.254SS..Hα-helixtrans-54.9-42.1173.9-174.8-156.4132.200111.6R91 Q130 K131 F138R91-E134 IonicContact NH2-OE1 2.92Å; R91-E134 PolarHBondContact NH2-OE1 3.22Å; Q130-E134 PolarHBondContact O-N 2.82Å; K131-E134 VanDerWaalsContact CD-OE2 3.25Å; K131-E134 WeakPolarHBondContact CD-OE2 3.34Å; K131-E134 IonicContact NZ-OE1 3.5Å; K131-E134 PolarHBondContact NZ-OE1 3.32Å; K131-E134 IonicContact NZ-OE2 3.54Å; K131-E134 PolarHBondContact NZ-OE2 3.33Å; E134-F138 VanDerWaalsContact O-CB 3.23Å; E134-F138 WeakPolarHBondContact O-CB 3.15Å; E134-F138 PolarHBondContact O-N 2.96Å
135L94Very high92.3Very high3 Ų351.8 Ų51.82%0.01625%0.247CC..Hα-helixtrans-70.3-43.3-178.3-172.160.9000112.5L83 L86 A87 I90 L108 K131 V132 K133 F138 V139L83-L135 HydrophobicContact CD2-CD2 3.88Å; L86-L135 HydrophobicContact CB-CD2 4.44Å; L86-L135 HydrophobicContact CD2-CD2 3.92Å; L86-L135 HydrophobicContact CG-CD2 4.1Å; A87-L135 HydrophobicContact CB-CD1 3.82Å; I90-L135 HydrophobicContact CD1-CD1 3.77Å; I90-L135 HydrophobicContact CD1-CG 4.49Å; L108-L135 HydrophobicContact CD1-CD2 4.44Å; K131-L135 VanDerWaalsContact O-CB 3.27Å; K131-L135 WeakPolarHBondContact O-CB 3.44Å; K131-L135 PolarHBondContact O-N 3.21Å; V132-L135 WeakPolarHBondContact O-CB 3.39Å; V132-L135 PolarHBondContact O-N 3.05Å; K133-L135 VanDerWaalsContact C-N 3.25Å; K133-L135 PolarHBondContact O-N 2.9Å; L135-F138 PolarHBondContact O-N 2.94Å; L135-V139 HydrophobicContact CD1-CG2 4.43Å; L135-V139 WeakPolarHBondContact O-CB 3.49Å; L135-V139 WeakPolarHBondContact O-CG2 3.16Å; L135-V139 PolarHBondContact O-N 2.89Å
136I93.9Very high92.2Very high5 Ų559.3 Ų59.33%0.02628%0.276CS..Hα-helixtrans-65-42.1178.6-75.1174.4000110.7L105 L108 R109 E112 V132 K133 V139 Q140L105-I136 HydrophobicContact CD1-CG1 4.17Å; L105-I136 HydrophobicContact CD1-CG2 4.32Å; L108-I136 HydrophobicContact CB-CD1 3.86Å; L108-I136 HydrophobicContact CB-CG1 3.96Å; L108-I136 HydrophobicContact CD1-CG1 4.43Å; R109-I136 HydrophobicContact CG-CD1 3.92Å; E112-I136 HydrophobicContact CG-CD1 3.88Å; E112-I136 VanDerWaalsContact OE1-CD1 3.28Å; E112-I136 WeakPolarHBondContact OE1-CD1 3.32Å; V132-I136 HydrophobicContact CG1-CD1 3.52Å; V132-I136 HydrophobicContact CG1-CG1 4.26Å; V132-I136 WeakPolarHBondContact O-CB 3.23Å; V132-I136 WeakPolarHBondContact O-CG1 3.33Å; V132-I136 PolarHBondContact O-N 3.37Å; K133-I136 PolarHBondContact O-N 3Å; I136-V139 PolarHBondContact O-N 2.89Å; I136-Q140 VanDerWaalsContact CG2-NE2 3.28Å; I136-Q140 PolarHBondContact O-N 2.99Å; I136-Q140 PolarHBondContact O-NE2 3.23Å
137E94Very high92.1Very high100 Ų10063 Ų6347%0.46729%0.288SS..Hα-helixtrans-59.6-51.1172.4-171.2-169.5121.600110.9K133 V139 Q140 D141 R144K133-E137 WeakPolarHBondContact O-CB 3.13Å; K133-E137 PolarHBondContact O-N 3.49Å; E137-V139 VanDerWaalsContact C-N 3.28Å; E137-V139 PolarHBondContact O-N 2.87Å; E137-Q140 PolarHBondContact O-N 3.28Å; E137-D141 PolarHBondContact O-N 3.41Å; E137-R144 IonicContact OE1-NH1 3.69Å; E137-R144 PolarHBondContact OE1-NH1 3.48Å
138F92.1Very high91.9Very high2 Ų261.9 Ų61.91%0.00928%0.281CS..Hα-helixtrans-65.6-22.9-179.5-179.1-115.4000114.7I90 R91 E134 L135 R144 L145 E148I90-F138 HydrophobicContact CG2-CD1 4.18Å; I90-F138 HydrophobicContact CG2-CE1 3.79Å; R91-F138 HydrophobicContact CG-CE1 3.58Å; R91-F138 HydrophobicContact CG-CZ 3.72Å; E134-F138 VanDerWaalsContact O-CB 3.23Å; E134-F138 WeakPolarHBondContact O-CB 3.15Å; E134-F138 PolarHBondContact O-N 2.96Å; L135-F138 PolarHBondContact O-N 2.94Å; F138-R144 HydrophobicContact CD2-CG 4.37Å; F138-R144 HydrophobicContact CE2-CG 4.32Å; F138-L145 HydrophobicContact CE1-CD1 3.78Å; F138-L145 HydrophobicContact CE2-CD1 4.41Å; F138-L145 HydrophobicContact CZ-CD1 3.71Å; F138-E148 HydrophobicContact CE2-CB 4.05Å; F138-E148 HydrophobicContact CE2-CG 4.1Å; F138-E148 HydrophobicContact CZ-CB 3.95Å; F138-E148 HydrophobicContact CZ-CG 4.39Å
139V91.7Very high91.7Very high1 Ų163.2 Ų63.21%0.00629%0.286CS..Hα-helixtrans-85.7-22.7177.3168.20000112.7I90 T101 R102 L135 I136 E137I90-V139 HydrophobicContact CD1-CG2 3.83Å; I90-V139 HydrophobicContact CG2-CG2 4.32Å; T101-V139 HydrophobicContact CG2-CG1 4.05Å; T101-V139 HydrophobicContact CG2-CG2 3.85Å; R102-V139 HydrophobicContact CG-CG1 3.7Å; R102-V139 PolarHBondContact NE-O 3.44Å; R102-V139 PolarHBondContact NH2-O 3.15Å; L135-V139 HydrophobicContact CD1-CG2 4.43Å; L135-V139 WeakPolarHBondContact O-CB 3.49Å; L135-V139 WeakPolarHBondContact O-CG2 3.16Å; L135-V139 PolarHBondContact O-N 2.89Å; I136-V139 PolarHBondContact O-N 2.89Å; E137-V139 VanDerWaalsContact C-N 3.28Å; E137-V139 PolarHBondContact O-N 2.87Å
140Q91.1Very high91.4Very high106 Ų10667.1 Ų67.150%0.49531%0.305SS..Hα-helixtrans-83.4-29.5175.1-75.6165.4103.600112.5I136 E137 D142I136-Q140 VanDerWaalsContact CG2-NE2 3.28Å; I136-Q140 PolarHBondContact O-N 2.99Å; I136-Q140 PolarHBondContact O-NE2 3.23Å; E137-Q140 PolarHBondContact O-N 3.28Å; Q140-D142 PolarHBondContact O-N 2.98Å; Q140-D142 VanDerWaalsContact O-N 3.15Å
141D91.6Very high91Very high64 Ų6467.2 Ų67.234%0.34230%0.303SS..  trans-81.287178.2-172.3-16.4000111.5E137 D143 R144 L145E137-D141 PolarHBondContact O-N 3.41Å; D141-D143 VanDerWaalsContact C-N 3.32Å; D141-D143 PolarHBondContact O-N 3.14Å; D141-R144 HydrophobicContact CB-CB 4.13Å; D141-R144 WeakPolarHBondContact OD1-CB 3.45Å; D141-R144 PolarHBondContact OD1-N 3.39Å; D141-R144 WeakPolarHBondContact OD2-CB 3.49Å; D141-R144 WeakPolarHBondContact OD2-CD 3.06Å; D141-L145 WeakPolarHBondContact O-CB 3.44Å; D141-L145 PolarHBondContact O-N 3.03Å
142D88.3Confident90.5Very high64 Ų6466.3 Ų66.334%0.34230%0.303SS..Hα-helixtrans-60-35.5-176.1-106.7-46.4000113.9R102 Q140 R146R102-D142 IonicContact CZ-OD1 2.86Å; R102-D142 IonicContact CZ-OD2 2.65Å; R102-D142 VanDerWaalsContact NH1-CG 3.32Å; R102-D142 IonicContact NH1-OD1 2.71Å; R102-D142 PolarHBondContact NH1-OD1 2.97Å; R102-D142 VanDerWaalsContact NH1-OD1 3.08Å; R102-D142 IonicContact NH1-OD2 4Å; R102-D142 PolarHBondContact NH1-OD2 3.43Å; R102-D142 IonicContact NH2-OD1 2.62Å; R102-D142 PolarHBondContact NH2-OD1 3.25Å; R102-D142 IonicContact NH2-OD2 3.55Å; R102-D142 PolarHBondContact NH2-OD2 2.71Å; Q140-D142 PolarHBondContact O-N 2.98Å; Q140-D142 VanDerWaalsContact O-N 3.15Å; D142-R146 WeakPolarHBondContact O-CD 3.44Å; D142-R146 WeakPolarHBondContact O-CG 3.36Å; D142-R146 PolarHBondContact O-N 3.23Å
143D89Confident89.8Confident99 Ų9972.8 Ų72.853%0.52933%0.331SS..Hα-helixtrans-82.9-43.4-175.2-69.8-46.3000111.9D141 L145 R146 E147D141-D143 VanDerWaalsContact C-N 3.32Å; D141-D143 PolarHBondContact O-N 3.14Å; D143-L145 PolarHBondContact O-N 2.99Å; D143-R146 WeakPolarHBondContact O-CB 3.42Å; D143-R146 PolarHBondContact O-N 2.96Å; D143-R146 VanDerWaalsContact O-N 3.13Å; D143-R146 IonicContact OD1-CZ 3.26Å; D143-R146 IonicContact OD1-NH1 2.71Å; D143-R146 PolarHBondContact OD1-NH1 2.87Å; D143-E147 WeakPolarHBondContact O-CG 3.3Å; D143-E147 PolarHBondContact O-N 3.27Å
144R89.8Confident89Confident97 Ų9772 Ų7237%0.36633%0.33SS..Hα-helixtrans-60-36169.7-177.4-175.3171-166.61.3111.9E137 F138 D141 E147 E148E137-R144 IonicContact OE1-NH1 3.69Å; E137-R144 PolarHBondContact OE1-NH1 3.48Å; F138-R144 HydrophobicContact CD2-CG 4.37Å; F138-R144 HydrophobicContact CE2-CG 4.32Å; D141-R144 HydrophobicContact CB-CB 4.13Å; D141-R144 WeakPolarHBondContact OD1-CB 3.45Å; D141-R144 PolarHBondContact OD1-N 3.39Å; D141-R144 WeakPolarHBondContact OD2-CB 3.49Å; D141-R144 WeakPolarHBondContact OD2-CD 3.06Å; R144-E147 PolarHBondContact O-N 2.67Å; R144-E148 WeakPolarHBondContact O-CB 3.36Å; R144-E148 PolarHBondContact O-N 2.94Å
145L89.9Confident88.4Confident5 Ų573.4 Ų73.43%0.02634%0.34CS..Hα-helixtrans-62.7-46.1174176.463000111.4I90 V98 F138 D141 D143 R149I90-L145 HydrophobicContact CG2-CD1 3.5Å; V98-L145 HydrophobicContact CB-CD2 4.42Å; V98-L145 HydrophobicContact CG1-CD2 3.52Å; V98-L145 HydrophobicContact CG2-CD2 3.98Å; F138-L145 HydrophobicContact CE1-CD1 3.78Å; F138-L145 HydrophobicContact CE2-CD1 4.41Å; F138-L145 HydrophobicContact CZ-CD1 3.71Å; D141-L145 WeakPolarHBondContact O-CB 3.44Å; D141-L145 PolarHBondContact O-N 3.03Å; D143-L145 PolarHBondContact O-N 2.99Å; L145-R149 HydrophobicContact CD1-CG 4.13Å; L145-R149 VanDerWaalsContact O-CB 3.31Å; L145-R149 WeakPolarHBondContact O-CB 3.03Å; L145-R149 WeakPolarHBondContact O-CG 3.48Å; L145-R149 PolarHBondContact O-N 3.5Å
146R87.8Confident87.5Confident158 Ų15877 Ų7760%0.59636%0.355SS*.Hα-helixtrans-61.7-42.4175.1-74.3161175.6-179-3.5112.1D142 D143 K150D142-R146 WeakPolarHBondContact O-CD 3.44Å; D142-R146 WeakPolarHBondContact O-CG 3.36Å; D142-R146 PolarHBondContact O-N 3.23Å; D143-R146 WeakPolarHBondContact O-CB 3.42Å; D143-R146 PolarHBondContact O-N 2.96Å; D143-R146 VanDerWaalsContact O-N 3.13Å; D143-R146 IonicContact OD1-CZ 3.26Å; D143-R146 IonicContact OD1-NH1 2.71Å; D143-R146 PolarHBondContact OD1-NH1 2.87Å; R146-K150 WeakPolarHBondContact O-CB 3.46Å; R146-K150 PolarHBondContact O-N 2.81Å
147E89.9Confident86.4Confident141 Ų14181.1 Ų81.166%0.65938%0.377SS*.Hα-helixtrans-64.4-50178-72.2-168.4163.900112.3D143 R144 R149 K150 K151D143-E147 WeakPolarHBondContact O-CG 3.3Å; D143-E147 PolarHBondContact O-N 3.27Å; R144-E147 PolarHBondContact O-N 2.67Å; E147-R149 VanDerWaalsContact C-N 3.34Å; E147-R149 PolarHBondContact O-N 3.17Å; E147-K150 PolarHBondContact O-N 2.92Å; E147-K151 WeakPolarHBondContact O-CB 3.45Å; E147-K151 PolarHBondContact O-N 3.37Å
148E88.5Confident85.5Confident51 Ų5181.3 Ų81.324%0.23838%0.376CS..Hα-helixtrans-63.4-37.9177.2-82.6-74121.700111.9F138 R144 K151 A152F138-E148 HydrophobicContact CE2-CB 4.05Å; F138-E148 HydrophobicContact CE2-CG 4.1Å; F138-E148 HydrophobicContact CZ-CB 3.95Å; F138-E148 HydrophobicContact CZ-CG 4.39Å; R144-E148 WeakPolarHBondContact O-CB 3.36Å; R144-E148 PolarHBondContact O-N 2.94Å; E148-K151 WeakPolarHBondContact OE1-CD 3.47Å; E148-K151 WeakPolarHBondContact OE1-CE 3.5Å; E148-K151 IonicContact OE1-NZ 3.38Å; E148-K151 PolarHBondContact OE1-NZ 3.18Å; E148-A152 WeakPolarHBondContact O-CB 3.35Å; E148-A152 PolarHBondContact O-N 3.42Å
149R88.6Confident84.1Confident28 Ų2889.5 Ų89.511%0.10641%0.408CS..Hα-helixtrans-66.1-41.6174-72.1175.466.764.310.8112.3I90 G93 E95 L145 E147 K153I90-R149 WeakPolarHBondContact O-CD 3.21Å; I90-R149 WeakPolarHBondContact O-CG 3.28Å; I90-R149 PolarHBondContact O-NH1 2.94Å; G93-R149 PolarHBondContact O-NH1 2.86Å; G93-R149 PolarHBondContact O-NH2 2.96Å; E95-R149 VanDerWaalsContact CD-NE 3.34Å; E95-R149 IonicContact OE1-CZ 2.79Å; E95-R149 VanDerWaalsContact OE1-CZ 3.31Å; E95-R149 IonicContact OE1-NE 2.71Å; E95-R149 PolarHBondContact OE1-NE 2.89Å; E95-R149 VanDerWaalsContact OE1-NE 3.11Å; E95-R149 IonicContact OE1-NH2 2.76Å; E95-R149 PolarHBondContact OE1-NH2 2.9Å; E95-R149 IonicContact OE2-CZ 3.21Å; E95-R149 IonicContact OE2-NE 3.08Å; E95-R149 PolarHBondContact OE2-NE 3.29Å; E95-R149 IonicContact OE2-NH2 3.37Å; E95-R149 PolarHBondContact OE2-NH2 2.96Å; L145-R149 HydrophobicContact CD1-CG 4.13Å; L145-R149 VanDerWaalsContact O-CB 3.31Å; L145-R149 WeakPolarHBondContact O-CB 3.03Å; L145-R149 WeakPolarHBondContact O-CG 3.48Å; L145-R149 PolarHBondContact O-N 3.5Å; E147-R149 VanDerWaalsContact C-N 3.34Å; E147-R149 PolarHBondContact O-N 3.17Å; R149-K153 WeakPolarHBondContact O-CB 3.43Å; R149-K153 PolarHBondContact O-N 3.13Å
150K87.6Confident82.7Confident147 Ų14794 Ų9464%0.63944%0.435SS*.Hα-helixtrans-62.8-46.1174.8-179.3-178177.1-173.80111.4R146 E147 K153 M154R146-K150 WeakPolarHBondContact O-CB 3.46Å; R146-K150 PolarHBondContact O-N 2.81Å; E147-K150 PolarHBondContact O-N 2.92Å; K150-K153 PolarHBondContact O-N 3.35Å; K150-M154 HydrophobicContact CG-SD 4.4Å; K150-M154 WeakPolarHBondContact O-CG 3.21Å; K150-M154 PolarHBondContact O-N 3.22Å
151K86.1Confident81Confident125 Ų12592 Ų9254%0.54344%0.443SS..Hα-helixtrans-64.2-44.2177179177.9167-165.50111.9E147 E148 M154 N155E147-K151 WeakPolarHBondContact O-CB 3.45Å; E147-K151 PolarHBondContact O-N 3.37Å; E148-K151 WeakPolarHBondContact OE1-CD 3.47Å; E148-K151 WeakPolarHBondContact OE1-CE 3.5Å; E148-K151 IonicContact OE1-NZ 3.38Å; E148-K151 PolarHBondContact OE1-NZ 3.18Å; K151-M154 PolarHBondContact O-N 3.3Å; K151-N155 WeakPolarHBondContact O-CB 3.34Å; K151-N155 PolarHBondContact O-N 3.26Å
152A81.9Confident79Confident19 Ų1994.6 Ų94.616%0.15746%0.462CS..Hα-helixtrans-61.6-43.8174.500000111.9R91 E148 N155 K156R91-A152 WeakPolarHBondContact O-CB 3.35Å; E148-A152 WeakPolarHBondContact O-CB 3.35Å; E148-A152 PolarHBondContact O-N 3.42Å; A152-N155 PolarHBondContact O-N 3.13Å; A152-K156 WeakPolarHBondContact O-CB 3.38Å; A152-K156 PolarHBondContact O-N 2.63Å
153K81.1Confident76.7Confident136 Ų13695.5 Ų95.559%0.59147%0.473SS*.Hα-helixtrans-60-51.8173.5-175.3177178.3-177.20111.6R149 K150 N155 K156 D157R149-K153 WeakPolarHBondContact O-CB 3.43Å; R149-K153 PolarHBondContact O-N 3.13Å; K150-K153 PolarHBondContact O-N 3.35Å; K153-N155 PolarHBondContact O-N 3.09Å; K153-K156 WeakPolarHBondContact O-CB 3.46Å; K153-K156 PolarHBondContact O-N 2.81Å; K153-D157 WeakPolarHBondContact CG-OD2 3.05Å; K153-D157 WeakPolarHBondContact O-CB 3.42Å; K153-D157 PolarHBondContact O-N 2.76Å
154M78.6Confident74.7Confident103 Ų10396.1 Ų96.151%0.50749%0.485SS..Hα-helixtrans-59.7-32.9177.2-71.2178.271.500113.1K150 K151 K158K150-M154 HydrophobicContact CG-SD 4.4Å; K150-M154 WeakPolarHBondContact O-CG 3.21Å; K150-M154 PolarHBondContact O-N 3.22Å; K151-M154 PolarHBondContact O-N 3.3Å; M154-K158 VanDerWaalsContact O-CG 3.27Å; M154-K158 WeakPolarHBondContact O-CG 3.11Å; M154-K158 PolarHBondContact O-N 3.34Å
155N80.8Confident72.8Confident88 Ų8898.6 Ų98.647%0.47151%0.505SS..Hα-helixtrans-72.3-45.1175.7-165.758.8000111.8K151 A152 K153 D157 K158 Y159K151-N155 WeakPolarHBondContact O-CB 3.34Å; K151-N155 PolarHBondContact O-N 3.26Å; A152-N155 PolarHBondContact O-N 3.13Å; K153-N155 PolarHBondContact O-N 3.09Å; N155-D157 VanDerWaalsContact C-N 3.34Å; N155-D157 PolarHBondContact O-N 2.88Å; N155-K158 PolarHBondContact O-N 2.76Å; N155-Y159 WeakPolarHBondContact O-CD2 3.46Å; N155-Y159 PolarHBondContact O-N 3.49Å; N155-Y159 WeakPolarHBondContact OD1-CE2 3.33Å
156K75.9Confident70.9Confident79 Ų79103.4 Ų103.434%0.34354%0.54SS..Hα-helixtrans-56.2-48.1173.4174.2-175.7173-175.30111.3A152 K153 K158 Y159 V160A152-K156 WeakPolarHBondContact O-CB 3.38Å; A152-K156 PolarHBondContact O-N 2.63Å; K153-K156 WeakPolarHBondContact O-CB 3.46Å; K153-K156 PolarHBondContact O-N 2.81Å; K156-K158 VanDerWaalsContact C-N 3.29Å; K156-K158 PolarHBondContact O-N 3.4Å; K156-Y159 PolarHBondContact O-N 2.71Å; K156-V160 HydrophobicContact CG-CG2 4.08Å; K156-V160 WeakPolarHBondContact O-CB 3.44Å; K156-V160 VanDerWaalsContact O-CG2 3.26Å; K156-V160 WeakPolarHBondContact O-CG2 3.41Å; K156-V160 PolarHBondContact O-N 3.36Å
157D70.6Confident69.1Low90 Ų90104.9 Ų104.948%0.48156%0.556SS.*Hα-helixtrans-64.4-33.9-177.2-62.4-16.8000111.7K153 N155K153-D157 WeakPolarHBondContact CG-OD2 3.05Å; K153-D157 WeakPolarHBondContact O-CB 3.42Å; K153-D157 PolarHBondContact O-N 2.76Å; N155-D157 VanDerWaalsContact C-N 3.34Å; N155-D157 PolarHBondContact O-N 2.88Å
158K74.8Confident67.4Low104 Ų104101.3 Ų101.345%0.45256%0.557SS.*Hα-helixtrans-64.5-42.8172.8-74.7170.1-175.8-177.60113.2M154 N155 K156 W187M154-K158 VanDerWaalsContact O-CG 3.27Å; M154-K158 WeakPolarHBondContact O-CG 3.11Å; M154-K158 PolarHBondContact O-N 3.34Å; N155-K158 PolarHBondContact O-N 2.76Å; K156-K158 VanDerWaalsContact C-N 3.29Å; K156-K158 PolarHBondContact O-N 3.4Å; K158-W187 HydrophobicContact CD-CH2 4.23Å
159Y62.5Low65.5Low174 Ų174108.3 Ų108.368%0.68259%0.586SS**Hα-helixtrans-87.4-22.3-175.8-75-72.9000114.4N155 K156 G161N155-Y159 WeakPolarHBondContact O-CD2 3.46Å; N155-Y159 PolarHBondContact O-N 3.49Å; N155-Y159 WeakPolarHBondContact OD1-CE2 3.33Å; K156-Y159 PolarHBondContact O-N 2.71Å; Y159-G161 VanDerWaalsContact C-N 3.26Å; Y159-G161 PolarHBondContact O-N 2.96Å
160V61.7Low63.4Low95 Ų95118.9 Ų118.958%0.57663%0.626SS**Hα-helixtrans-71.1-21.6175.1168.40000112.4K156K156-V160 HydrophobicContact CG-CG2 4.08Å; K156-V160 WeakPolarHBondContact O-CB 3.44Å; K156-V160 VanDerWaalsContact O-CG2 3.26Å; K156-V160 WeakPolarHBondContact O-CG2 3.41Å; K156-V160 PolarHBondContact O-N 3.36Å
161G56.8Low61Low64 Ų64115.3 Ų115.366%0.6663%0.632SS**THydrogen-bonded Turntrans-83.4-4.217900000116.4Y159Y159-G161 VanDerWaalsContact C-N 3.26Å; Y159-G161 PolarHBondContact O-N 2.96Å
162V48.3Very low59.1Low120 Ų120120.8 Ų120.873%0.72765%0.65SS**  trans-117.660.2-171.8-165.50000111.5
163S40.4Very low56.9Low83 Ų83126.6 Ų126.658%0.5869%0.685SS**  trans-87.3145.8162-67.80000110.4D165S163-D165 PolarHBondContact O-N 3.05Å
164S48.1Very low54.9Low112 Ų112123.3 Ų123.378%0.78369%0.689SS**G310 helixtrans-65.8-13.9-167.5-164.90000115.1
165D49.4Very low53.2Low148 Ų148126.2 Ų126.279%0.79171%0.707SS**G310 helixtrans-88.7-6-164.7-47.7-90000114.3S163S163-D165 PolarHBondContact O-N 3.05Å
166S49.2Very low50.9Low107 Ų107133.9 Ų133.975%0.74873%0.729SS**G310 helixtrans-98.9-4.1179.2-67.90000114.7G168S166-G168 PolarHBondContact O-N 3.35Å
167M50.7Low49.4Very low189 Ų189140.7 Ų140.793%0.93175%0.754SS**THydrogen-bonded Turntrans-78.730.3179.8-155.465.7-178.100113.1
168G53.8Low48Very low66 Ų66142.9 Ų142.968%0.6877%0.766SS**THydrogen-bonded Turntrans-133.7-2.2-166.900000116.7S166S166-G168 PolarHBondContact O-N 3.35Å
169F48.2Very low46.3Very low197 Ų197143.4 Ų143.486%0.86478%0.782SS**  trans-151.868.5178.1-146.6-97.7000116.1
170R44.3Very low45.7Very low250 Ų250140.2 Ų140.294%0.94379%0.786SS**  trans-128.5124.8151.8-69.9-63.3-164.4-167.92.9107.5
171G38.7Very low44.9Very low73 Ų73138.3 Ų138.375%0.75379%0.785SS**  trans-78.4166.5-164.500000115.3T173G171-T173 PolarHBondContact O-N 3.29Å
172Y44.6Very low44.4Very low239 Ų239142.6 Ų142.694%0.93779%0.788SS**  trans-59.9115.9171.5-77.6-104.9000111.6
173T37.1Very low44.1Very low142 Ų142141.3 Ų141.387%0.87178%0.784SS**  trans-158.7126.8148.6-29.10000112.3G171G171-T173 PolarHBondContact O-N 3.29Å
174G38.2Very low44.5Very low67 Ų67147.3 Ų147.369%0.69179%0.794SS**  trans84.5115.113900000118.2
175D43.5Very low44.6Very low163 Ų163144.4 Ų144.487%0.87278%0.777SS**  trans-49.3129.2171.6-55.5-108.4000114.6
176R32.2Very low44.4Very low249 Ų249144.7 Ų144.794%0.9477%0.771SS**  trans-159.3104.3149.4-126.1166.8-100.1-162.4-7.8111.5
177Y44.6Very low44.3Very low223 Ų223147.9 Ų147.988%0.87577%0.767SS**  trans-73.6164.8165.1-162.1-99.1000109.6
178D41Very low44.1Very low136 Ų136144.2 Ų144.273%0.72775%0.751SS**  trans65.692.7174.8-150.1-94.3000117.8
179S39.8Very low43.8Very low114 Ų114145.1 Ų145.180%0.79774%0.741SS**  trans-176.917.5155.9-83.70000114
180S48.7Very low44Very low108 Ų108141.2 Ų141.276%0.75573%0.729SS**  trans-97.1-9.8-172.253.20000115.8
181G46.2Very low44.3Very low54 Ų54138.1 Ų138.156%0.55772%0.717SS**SBendtrans-71.6-45.9-176.700000114.5S183 R184 A185G181-S183 PolarHBondContact O-N 3.05Å; G181-S183 VanDerWaalsContact O-N 3.13Å; G181-R184 PolarHBondContact O-N 3.22Å; G181-A185 PolarHBondContact O-N 3.08Å
182E44.5Very low45Very low155 Ų155140 Ų14072%0.72471%0.706SS**Hα-helixtrans-58.6-31.9-170.4-159.169.987.200113.7R184E182-R184 VanDerWaalsContact C-N 3.31Å; E182-R184 PolarHBondContact O-N 3.25Å
183S43.8Very low45.5Very low92 Ų92135.7 Ų135.764%0.64369%0.692SS**Hα-helixtrans-81.8-5.8-179.7-68.60000114.1G181 W187G181-S183 PolarHBondContact O-N 3.05Å; G181-S183 VanDerWaalsContact O-N 3.13Å; S183-W187 VanDerWaalsContact O-CD1 3.24Å
184R47.5Very low46.1Very low209 Ų209135.3 Ų135.379%0.78969%0.685SS**Hα-helixtrans-96.5-43.8174.4-168.5176.6179.197.32.9112.1G181 E182 K186 W187G181-R184 PolarHBondContact O-N 3.22Å; E182-R184 VanDerWaalsContact C-N 3.31Å; E182-R184 PolarHBondContact O-N 3.25Å; R184-K186 VanDerWaalsContact C-N 3.29Å; R184-K186 PolarHBondContact O-N 3.1Å; R184-W187 PolarHBondContact O-N 3.08Å
185A49.7Very low46.8Very low52 Ų52138.5 Ų138.543%0.4368%0.68SS.*Hα-helixtrans-54.9-44.3179.500000112.3G181 W187 D188 D189G181-A185 PolarHBondContact O-N 3.08Å; A185-W187 PolarHBondContact O-N 3.44Å; A185-W187 VanDerWaalsContact O-N 3.09Å; A185-D188 WeakPolarHBondContact O-CB 3.45Å; A185-D188 PolarHBondContact O-N 2.87Å; A185-D189 PolarHBondContact O-N 3.26Å
186K45.8Very low46.9Very low153 Ų153132.5 Ų132.567%0.66566%0.656SS**Hα-helixtrans-59.3-23-178.5-117.7178.2-178.9174.70115.9R184R184-K186 VanDerWaalsContact C-N 3.29Å; R184-K186 PolarHBondContact O-N 3.1Å
187W46.7Very low47.6Very low174 Ų174126.9 Ų126.966%0.65965%0.652SS**Hα-helixtrans-86-17.2176.9-72.171.9000113.1K158 S183 R184 A185K158-W187 HydrophobicContact CD-CH2 4.23Å; S183-W187 VanDerWaalsContact O-CD1 3.24Å; R184-W187 PolarHBondContact O-N 3.08Å; A185-W187 PolarHBondContact O-N 3.44Å; A185-W187 VanDerWaalsContact O-N 3.09Å
188D47.6Very low47.4Very low113 Ų113124 Ų12460%0.60465%0.645SS**Hα-helixtrans-81.9-46.8177-139.9-138.9000109.6A185 D190 W191 E192A185-D188 WeakPolarHBondContact O-CB 3.45Å; A185-D188 PolarHBondContact O-N 2.87Å; D188-D190 VanDerWaalsContact C-N 3.33Å; D188-D190 PolarHBondContact O-N 2.66Å; D188-W191 WeakPolarHBondContact O-CB 3.35Å; D188-W191 PolarHBondContact O-N 3.12Å; D188-E192 WeakPolarHBondContact O-CG 3.26Å; D188-E192 PolarHBondContact O-N 3Å
189D47.4Very low48Very low85 Ų85124.2 Ų124.246%0.45565%0.653SS.*Hα-helixtrans-50.7-45.7172.5-108.5-74.9000113.6A185 W191 K193A185-D189 PolarHBondContact O-N 3.26Å; D189-W191 VanDerWaalsContact C-N 3.32Å; D189-K193 WeakPolarHBondContact O-CB 3.22Å; D189-K193 WeakPolarHBondContact O-CG 3.37Å; D189-K193 PolarHBondContact O-N 3.29Å; D189-K193 VanDerWaalsContact O-N 3.1Å; D189-K193 IonicContact OD1-NZ 2.69Å; D189-K193 PolarHBondContact OD1-NZ 3.49Å
190D51.2Low48.1Very low115 Ų115126.9 Ų126.962%0.61565%0.651SS**Hα-helixtrans-75.3-18.7-180-83.7-30.6000113D188D188-D190 VanDerWaalsContact C-N 3.33Å; D188-D190 PolarHBondContact O-N 2.66Å
191W52Low48.3Very low185 Ų185125 Ų12570%0.70164%0.637SS**Hα-helixtrans-83.8-41.4173.9178.4-104.4000111.6D188 D189D188-W191 WeakPolarHBondContact O-CB 3.35Å; D188-W191 PolarHBondContact O-N 3.12Å; D189-W191 VanDerWaalsContact C-N 3.32Å
192E53.1Low48.6Very low112 Ų112130.7 Ų130.752%0.52365%0.65SS.*Hα-helixtrans-61.1-51.6173.7-71.3-82.890.300111.4D188 N194 K195D188-E192 WeakPolarHBondContact O-CG 3.26Å; D188-E192 PolarHBondContact O-N 3Å; E192-N194 PolarHBondContact O-N 3.25Å; E192-N194 VanDerWaalsContact O-N 3.16Å; E192-K195 WeakPolarHBondContact O-CB 3.13Å; E192-K195 PolarHBondContact O-N 2.93Å; E192-K195 IonicContact OE1-NZ 3.01Å; E192-K195 PolarHBondContact OE1-NZ 3.4Å
193K55.1Low49.1Very low149 Ų149131.2 Ų131.265%0.64865%0.649SS**THydrogen-bonded Turntrans-63.7-21.2-177.8-75-173.4-17783.70114.5D189 K195D189-K193 WeakPolarHBondContact O-CB 3.22Å; D189-K193 WeakPolarHBondContact O-CG 3.37Å; D189-K193 PolarHBondContact O-N 3.29Å; D189-K193 VanDerWaalsContact O-N 3.1Å; D189-K193 IonicContact OD1-NZ 2.69Å; D189-K193 PolarHBondContact OD1-NZ 3.49Å; K193-K195 VanDerWaalsContact C-N 3.31Å
194N49.6Very low49.5Very low133 Ų133131.3 Ų131.371%0.71164%0.642SS**THydrogen-bonded Turntrans-86.20.2-179.2-135.9-28.1000113.4E192 G196E192-N194 PolarHBondContact O-N 3.25Å; E192-N194 VanDerWaalsContact O-N 3.16Å; N194-G196 PolarHBondContact O-N 2.71Å
195K51.9Low50Low135 Ų135122.7 Ų122.759%0.58762%0.619SS**  trans-77.552.8171-62.6171.5-176172.70111.5E192 K193E192-K195 WeakPolarHBondContact O-CB 3.13Å; E192-K195 PolarHBondContact O-N 2.93Å; E192-K195 IonicContact OE1-NZ 3.01Å; E192-K195 PolarHBondContact OE1-NZ 3.4Å; K193-K195 VanDerWaalsContact C-N 3.31Å
196G46.6Very low50.3Low37 Ų37125.8 Ų125.838%0.38162%0.624SS.*  trans-62.6153.4177.700000113N194 F198N194-G196 PolarHBondContact O-N 2.71Å; G196-F198 PolarHBondContact O-N 3.08Å
197P47.3Very low50.7Low131 Ų131122.2 Ų122.285%0.85161%0.612SS**  trans-76.994.6-166.330.3-36.1000113.2
198F39Very low51.2Low163 Ų163117.4 Ų117.472%0.71561%0.605SS**  trans-78.5132.7160.4-72.9-85.9000110G196 F200 S201G196-F198 PolarHBondContact O-N 3.08Å; F198-F200 PolarHBondContact O-N 2.82Å; F198-S201 WeakPolarHBondContact O-CB 3.22Å; F198-S201 PolarHBondContact O-N 3.18Å
199P53.7Low51.7Low140 Ų140117.5 Ų117.591%0.90961%0.605SS**THydrogen-bonded Turntrans-72.321.5-171.530.7-37.8000115.4
200F43.8Very low52.5Low169 Ų169119.6 Ų119.674%0.74161%0.61SS**THydrogen-bonded Turntrans-125.7-4.7172.5-166.9-107.1000112.3F198 L204F198-F200 PolarHBondContact O-N 2.82Å; F200-L204 HydrophobicContact CD1-CD1 4.16Å; F200-L204 HydrophobicContact CE1-CD1 3.75Å
201S52.9Low52.8Low68 Ų68118.4 Ų118.448%0.47660%0.603SS.*SBendtrans-77.9-42.2-169.5-164.40000113.7F198 K203 L204 G205F198-S201 WeakPolarHBondContact O-CB 3.22Å; F198-S201 PolarHBondContact O-N 3.18Å; S201-K203 VanDerWaalsContact C-N 3.34Å; S201-K203 PolarHBondContact O-N 3.49Å; S201-L204 WeakPolarHBondContact O-CA 3.49Å; S201-L204 PolarHBondContact O-N 3.27Å; S201-G205 PolarHBondContact O-N 3.08Å
202E51.7Low53.1Low175 Ų175111.5 Ų111.582%0.81859%0.589SS**Hα-helixtrans-55.8-47.2-171.6-60.4179.7148.100112.3L204 G205 E206E202-L204 PolarHBondContact O-N 3.23Å; E202-L204 VanDerWaalsContact O-N 3.17Å; E202-G205 PolarHBondContact O-N 3.46Å; E202-E206 PolarHBondContact O-N 2.98Å
203K53.9Low53.3Low165 Ų165110 Ų11072%0.71759%0.591SS**Hα-helixtrans-72.9-3.2179.9-162169.6-177-61.70113.9S201 I207S201-K203 VanDerWaalsContact C-N 3.34Å; S201-K203 PolarHBondContact O-N 3.49Å; K203-I207 WeakPolarHBondContact O-CD1 3.35Å; K203-I207 WeakPolarHBondContact O-CG1 3.39Å
204L54.2Low53.6Low94 Ų94107.3 Ų107.349%0.49259%0.587SS.*Hα-helixtrans-110.7-33.9176.3-117.2168000112.2F200 S201 E202 I207 S208F200-L204 HydrophobicContact CD1-CD1 4.16Å; F200-L204 HydrophobicContact CE1-CD1 3.75Å; S201-L204 WeakPolarHBondContact O-CA 3.49Å; S201-L204 PolarHBondContact O-N 3.27Å; E202-L204 PolarHBondContact O-N 3.23Å; E202-L204 VanDerWaalsContact O-N 3.17Å; L204-I207 PolarHBondContact O-N 3.49Å; L204-S208 WeakPolarHBondContact O-CB 3.43Å; L204-S208 PolarHBondContact O-N 3.29Å
205G57.7Low54Low29 Ų29105.4 Ų105.430%0.29958%0.576SS.*Hα-helixtrans-58.6-53.7169.100000111.6S201 E202 I207 S208 D209S201-G205 PolarHBondContact O-N 3.08Å; E202-G205 PolarHBondContact O-N 3.46Å; G205-I207 PolarHBondContact O-N 3.4Å; G205-I207 VanDerWaalsContact O-N 3.07Å; G205-S208 WeakPolarHBondContact O-CA 3.44Å; G205-S208 WeakPolarHBondContact O-CB 3.27Å; G205-S208 PolarHBondContact O-N 3.18Å; G205-D209 PolarHBondContact O-N 2.65Å
206E56Low54.5Low117 Ų117103.7 Ų103.755%0.54757%0.573SS.*Hα-helixtrans-59.6-27-179.4-152.5-150.8156.200113.4E202 K210E202-E206 PolarHBondContact O-N 2.98Å; E206-K210 IonicContact OE1-NZ 3.95Å; E206-K210 PolarHBondContact OE1-NZ 3.23Å
207I53.4Low55.2Low77 Ų77105.9 Ų105.940%0.39558%0.576SS.*Hα-helixtrans-80-43.5173.4-65.7-178.9000110.7K203 L204 G205 D209 K210 I211K203-I207 WeakPolarHBondContact O-CD1 3.35Å; K203-I207 WeakPolarHBondContact O-CG1 3.39Å; L204-I207 PolarHBondContact O-N 3.49Å; G205-I207 PolarHBondContact O-N 3.4Å; G205-I207 VanDerWaalsContact O-N 3.07Å; I207-D209 VanDerWaalsContact C-N 3.34Å; I207-D209 PolarHBondContact O-N 2.98Å; I207-K210 PolarHBondContact O-N 3.38Å; I207-I211 HydrophobicContact CG2-CD1 3.59Å; I207-I211 HydrophobicContact CG2-CG1 4.31Å; I207-I211 WeakPolarHBondContact O-CB 3.49Å; I207-I211 VanDerWaalsContact O-CG1 3.27Å; I207-I211 WeakPolarHBondContact O-CG1 3.49Å; I207-I211 PolarHBondContact O-N 3.2Å
208S57.6Low56.2Low73 Ų73102.5 Ų102.551%0.5155%0.553SS.*Hα-helixtrans-58.2-43.9176.4-174.40000111.8L204 G205 I211 G212L204-S208 WeakPolarHBondContact O-CB 3.43Å; L204-S208 PolarHBondContact O-N 3.29Å; G205-S208 WeakPolarHBondContact O-CA 3.44Å; G205-S208 WeakPolarHBondContact O-CB 3.27Å; G205-S208 PolarHBondContact O-N 3.18Å; S208-I211 PolarHBondContact O-N 3.48Å; S208-G212 PolarHBondContact O-N 2.84Å
209D58.3Low57.4Low115 Ų11598.8 Ų98.862%0.61554%0.54SS*.Hα-helixtrans-71.9-40.1-177.2-61.7-37.9000112G205 I207 S213G205-D209 PolarHBondContact O-N 2.65Å; I207-D209 VanDerWaalsContact C-N 3.34Å; I207-D209 PolarHBondContact O-N 2.98Å; D209-S213 VanDerWaalsContact O-CB 3.26Å; D209-S213 WeakPolarHBondContact O-CB 3.33Å; D209-S213 PolarHBondContact O-N 2.87Å
210K63.9Low57.9Low129 Ų12995 Ų9556%0.56152%0.517SS*.Hα-helixtrans-63.2-41.6171.8-87.7169.7176.6151.70112.5E206 I207 T214E206-K210 IonicContact OE1-NZ 3.95Å; E206-K210 PolarHBondContact OE1-NZ 3.23Å; I207-K210 PolarHBondContact O-N 3.38Å; K210-T214 WeakPolarHBondContact O-CB 3.35Å; K210-T214 PolarHBondContact O-N 3.03Å; K210-T214 VanDerWaalsContact O-N 3.11Å; K210-T214 PolarHBondContact O-OG1 2.9Å
211I57.9Low58.8Low91 Ų9193.7 Ų93.747%0.46751%0.507SS..Hα-helixtrans-70.5-44.7178.4-71.2176.5000110.6I207 S208 T214 I215I207-I211 HydrophobicContact CG2-CD1 3.59Å; I207-I211 HydrophobicContact CG2-CG1 4.31Å; I207-I211 WeakPolarHBondContact O-CB 3.49Å; I207-I211 VanDerWaalsContact O-CG1 3.27Å; I207-I211 WeakPolarHBondContact O-CG1 3.49Å; I207-I211 PolarHBondContact O-N 3.2Å; S208-I211 PolarHBondContact O-N 3.48Å; I211-T214 PolarHBondContact O-N 3.38Å; I211-I215 HydrophobicContact CG2-CD1 3.54Å; I211-I215 HydrophobicContact CG2-CG1 4.28Å; I211-I215 WeakPolarHBondContact O-CB 3.31Å; I211-I215 VanDerWaalsContact O-CG1 3.29Å; I211-I215 WeakPolarHBondContact O-CG1 3.43Å; I211-I215 PolarHBondContact O-N 3.32Å
212G57.2Low58.9Low40 Ų4097 Ų9741%0.41251%0.513SS..Hα-helixtrans-58.8-49.1176.800000112.2S208 T214 I215 D216S208-G212 PolarHBondContact O-N 2.84Å; G212-T214 PolarHBondContact O-N 2.78Å; G212-I215 PolarHBondContact O-N 3.35Å; G212-D216 PolarHBondContact O-N 2.73Å
213S57.8Low59.4Low81 Ų8197.7 Ų97.757%0.56651%0.508SS*.Hα-helixtrans-54.6-51.1173.4171.30000111.9D209 I215 D216 D217D209-S213 VanDerWaalsContact O-CB 3.26Å; D209-S213 WeakPolarHBondContact O-CB 3.33Å; D209-S213 PolarHBondContact O-N 2.87Å; S213-I215 VanDerWaalsContact C-N 3.32Å; S213-I215 PolarHBondContact O-N 3.47Å; S213-D216 PolarHBondContact O-N 3.42Å; S213-D217 VanDerWaalsContact O-CB 3.28Å; S213-D217 WeakPolarHBondContact O-CB 3.35Å; S213-D217 PolarHBondContact O-N 2.71Å; S213-D217 VanDerWaalsContact O-N 3.13Å
214T61.2Low59.3Low91 Ų9196.6 Ų96.656%0.55850%0.504SS*.Hα-helixtrans-66.5-33.4-176.8-52.40000112.7K210 I211 G212 T218K210-T214 WeakPolarHBondContact O-CB 3.35Å; K210-T214 PolarHBondContact O-N 3.03Å; K210-T214 VanDerWaalsContact O-N 3.11Å; K210-T214 PolarHBondContact O-OG1 2.9Å; I211-T214 PolarHBondContact O-N 3.38Å; G212-T214 PolarHBondContact O-N 2.78Å; T214-T218 WeakPolarHBondContact O-CB 3.29Å; T214-T218 PolarHBondContact O-N 2.73Å; T214-T218 PolarHBondContact O-OG1 3.44Å
215I58.8Low59.1Low93 Ų9399.1 Ų99.148%0.47751%0.51SS..Hα-helixtrans-73.8-46.9178.6-72.5175.4000111.2I211 G212 S213 D217 T218 I219I211-I215 HydrophobicContact CG2-CD1 3.54Å; I211-I215 HydrophobicContact CG2-CG1 4.28Å; I211-I215 WeakPolarHBondContact O-CB 3.31Å; I211-I215 VanDerWaalsContact O-CG1 3.29Å; I211-I215 WeakPolarHBondContact O-CG1 3.43Å; I211-I215 PolarHBondContact O-N 3.32Å; G212-I215 PolarHBondContact O-N 3.35Å; S213-I215 VanDerWaalsContact C-N 3.32Å; S213-I215 PolarHBondContact O-N 3.47Å; I215-D217 PolarHBondContact O-N 3.5Å; I215-T218 WeakPolarHBondContact O-CB 3.46Å; I215-T218 PolarHBondContact O-N 2.86Å; I215-T218 VanDerWaalsContact O-N 3.14Å; I215-I219 HydrophobicContact CG2-CD1 3.61Å; I215-I219 HydrophobicContact CG2-CG1 4.29Å; I215-I219 WeakPolarHBondContact O-CG1 3.37Å; I215-I219 PolarHBondContact O-N 3.15Å
216D61.4Low58.6Low99 Ų99103.9 Ų103.953%0.52953%0.529SS..Hα-helixtrans-64.4-43-179.9-166.2-84.9000111.8G212 S213 T218 I219 S220G212-D216 PolarHBondContact O-N 2.73Å; S213-D216 PolarHBondContact O-N 3.42Å; D216-T218 PolarHBondContact O-N 2.92Å; D216-T218 VanDerWaalsContact O-N 3.13Å; D216-I219 PolarHBondContact O-N 3.22Å; D216-I219 VanDerWaalsContact O-N 3.14Å; D216-S220 VanDerWaalsContact O-CB 3.24Å; D216-S220 WeakPolarHBondContact O-CB 3.44Å; D216-S220 PolarHBondContact O-N 3.08Å; D216-S220 PolarHBondContact O-OG 2.64Å; D216-S220 PolarHBondContact OD1-OG 2.92Å
217D62.7Low58.4Low83 Ų83108.9 Ų108.944%0.44454%0.543SS..Hα-helixtrans-58.4-29.3176-151.9-110.2000111.8S213 I215 R221S213-D217 VanDerWaalsContact O-CB 3.28Å; S213-D217 WeakPolarHBondContact O-CB 3.35Å; S213-D217 PolarHBondContact O-N 2.71Å; S213-D217 VanDerWaalsContact O-N 3.13Å; I215-D217 PolarHBondContact O-N 3.5Å; D217-R221 WeakPolarHBondContact O-CG 3.45Å; D217-R221 VanDerWaalsContact O-CZ 3.25Å; D217-R221 PolarHBondContact O-N 2.81Å; D217-R221 PolarHBondContact O-NE 3.01Å; D217-R221 PolarHBondContact O-NH2 2.78Å; D217-R221 IonicContact OD1-CZ 3.18Å; D217-R221 IonicContact OD1-NH1 3.31Å; D217-R221 PolarHBondContact OD1-NH1 3.17Å; D217-R221 IonicContact OD1-NH2 3.36Å; D217-R221 PolarHBondContact OD1-NH2 3.32Å
218T67.8Low58.1Low61 Ų61111.1 Ų111.137%0.37456%0.556SS.*Hα-helixtrans-83.3-42.1176.2-58.20000112.6T214 I215 D216 S220 R221 F222T214-T218 WeakPolarHBondContact O-CB 3.29Å; T214-T218 PolarHBondContact O-N 2.73Å; T214-T218 PolarHBondContact O-OG1 3.44Å; I215-T218 WeakPolarHBondContact O-CB 3.46Å; I215-T218 PolarHBondContact O-N 2.86Å; I215-T218 VanDerWaalsContact O-N 3.14Å; D216-T218 PolarHBondContact O-N 2.92Å; D216-T218 VanDerWaalsContact O-N 3.13Å; T218-S220 VanDerWaalsContact C-N 3.33Å; T218-R221 PolarHBondContact O-N 2.7Å; T218-F222 HydrophobicContact CG2-CD2 4.34Å; T218-F222 PolarHBondContact O-N 3.49Å
219I64.7Low57.5Low85 Ų85113.9 Ų113.944%0.43657%0.565SS.*Hα-helixtrans-62.9-41.7174.4-69.9170.5000110.5I215 D216 F222 R223I215-I219 HydrophobicContact CG2-CD1 3.61Å; I215-I219 HydrophobicContact CG2-CG1 4.29Å; I215-I219 WeakPolarHBondContact O-CG1 3.37Å; I215-I219 PolarHBondContact O-N 3.15Å; D216-I219 PolarHBondContact O-N 3.22Å; D216-I219 VanDerWaalsContact O-N 3.14Å; I219-F222 PolarHBondContact O-N 3.48Å; I219-R223 WeakPolarHBondContact O-CB 3.4Å; I219-R223 PolarHBondContact O-N 3.11Å
220S63.9Low56.2Low60 Ų60113.5 Ų113.542%0.4257%0.571SS.*Hα-helixtrans-64.9-37.7175.9-72.60000112.1D216 T218 K224D216-S220 VanDerWaalsContact O-CB 3.24Å; D216-S220 WeakPolarHBondContact O-CB 3.44Å; D216-S220 PolarHBondContact O-N 3.08Å; D216-S220 PolarHBondContact O-OG 2.64Å; D216-S220 PolarHBondContact OD1-OG 2.92Å; T218-S220 VanDerWaalsContact C-N 3.33Å; S220-K224 WeakPolarHBondContact O-CB 3.3Å; S220-K224 PolarHBondContact O-N 3.3Å; S220-K224 VanDerWaalsContact O-N 3.11Å
221R61.3Low55.4Low142 Ų142112.9 Ų112.954%0.53658%0.58SS.*Hα-helixtrans-64-44.1170.4-89-172.3-74.2-84.2-6.6113D217 T218 K224 K225D217-R221 WeakPolarHBondContact O-CG 3.45Å; D217-R221 VanDerWaalsContact O-CZ 3.25Å; D217-R221 PolarHBondContact O-N 2.81Å; D217-R221 PolarHBondContact O-NE 3.01Å; D217-R221 PolarHBondContact O-NH2 2.78Å; D217-R221 IonicContact OD1-CZ 3.18Å; D217-R221 IonicContact OD1-NH1 3.31Å; D217-R221 PolarHBondContact OD1-NH1 3.17Å; D217-R221 IonicContact OD1-NH2 3.36Å; D217-R221 PolarHBondContact OD1-NH2 3.32Å; T218-R221 PolarHBondContact O-N 2.7Å; R221-K224 PolarHBondContact O-N 2.68Å; R221-K225 WeakPolarHBondContact O-CB 3.16Å; R221-K225 PolarHBondContact O-N 2.68Å
222F55.3Low54.3Low138 Ų138115 Ų11561%0.60559%0.593SS**Hα-helixtrans-63.2-54.1176.3-96.8-88.1000111.7T218 I219 K224 K225 D226T218-F222 HydrophobicContact CG2-CD2 4.34Å; T218-F222 PolarHBondContact O-N 3.49Å; I219-F222 PolarHBondContact O-N 3.48Å; F222-K224 PolarHBondContact O-N 3.38Å; F222-K225 WeakPolarHBondContact O-CA 3.43Å; F222-K225 VanDerWaalsContact O-CB 3.3Å; F222-K225 WeakPolarHBondContact O-CB 3.26Å; F222-K225 PolarHBondContact O-N 2.86Å; F222-D226 PolarHBondContact O-N 3.32Å; F222-D226 VanDerWaalsContact O-OD2 3.08Å
223R62.4Low53.3Low189 Ų189123.5 Ų123.571%0.71361%0.612SS**Hα-helixtrans-59.4-24.6179.7177.9176.5-87.8140.3-8.2113.5I219I219-R223 WeakPolarHBondContact O-CB 3.4Å; I219-R223 PolarHBondContact O-N 3.11Å
224K52.3Low52.1Low142 Ų142129.1 Ų129.162%0.61763%0.627SS**Hα-helixtrans-79.2-43169.9-171.7165.7-177.5174.80112.2S220 R221 F222 D226 R227 D228S220-K224 WeakPolarHBondContact O-CB 3.3Å; S220-K224 PolarHBondContact O-N 3.3Å; S220-K224 VanDerWaalsContact O-N 3.11Å; R221-K224 PolarHBondContact O-N 2.68Å; F222-K224 PolarHBondContact O-N 3.38Å; K224-D226 VanDerWaalsContact C-N 3.28Å; K224-D226 PolarHBondContact O-N 2.9Å; K224-R227 WeakPolarHBondContact O-CB 3.28Å; K224-R227 PolarHBondContact O-N 3.39Å; K224-D228 PolarHBondContact O-N 3.21Å
225K49.5Very low50.9Low146 Ų146130 Ų13064%0.63564%0.637SS**Hα-helixtrans-55.6-40.9176.1-170.364.3174.9165.50112.4R221 F222 R227R221-K225 WeakPolarHBondContact O-CB 3.16Å; R221-K225 PolarHBondContact O-N 2.68Å; F222-K225 WeakPolarHBondContact O-CA 3.43Å; F222-K225 VanDerWaalsContact O-CB 3.3Å; F222-K225 WeakPolarHBondContact O-CB 3.26Å; F222-K225 PolarHBondContact O-N 2.86Å; K225-R227 PolarHBondContact O-N 3.33Å
226D47.5Very low49.7Very low130 Ų130133 Ų13370%0.69565%0.654SS**THydrogen-bonded Turntrans-69.9-2.6176.2-64-55000114.5F222 K224F222-D226 PolarHBondContact O-N 3.32Å; F222-D226 VanDerWaalsContact O-OD2 3.08Å; K224-D226 VanDerWaalsContact C-N 3.28Å; K224-D226 PolarHBondContact O-N 2.9Å
227R51.3Low48.1Very low221 Ų221134 Ų13483%0.83466%0.659SS**THydrogen-bonded Turntrans-116.8-15-174.4-152.4-177.2-172.4-150.90.4114.8K224 K225K224-R227 WeakPolarHBondContact O-CB 3.28Å; K224-R227 PolarHBondContact O-N 3.39Å; K225-R227 PolarHBondContact O-N 3.33Å
228D47.5Very low46.9Very low124 Ų124139 Ų13966%0.66368%0.68SS**SBendtrans-95.3-3.2180-75.6-58.5000113.1K224K224-D228 PolarHBondContact O-N 3.21Å
229D44.1Very low45.6Very low132 Ų132144 Ų14471%0.70670%0.699SS**  trans-105.763.5-175.2-140-68.7000112.3
230S32.6Very low44.3Very low107 Ų107147 Ų14775%0.74872%0.716SS**  trans-156.9108.8170.1-76.20000111.6
231P47.1Very low43Very low116 Ų116156.1 Ų156.175%0.75374%0.741SS**  trans-82.8175.5172.134.8-34.8000112.6
232D34.8Very low41.7Very low135 Ų135157 Ų15772%0.72276%0.756SS**  trans66.7132.1-168.1-69.4-74.6000113.6
233R36.3Very low40.8Very low218 Ų218161.5 Ų161.582%0.82377%0.769SS**  cis-155.4156.65.4-126.9161.8-162-143.92.2112.5
234F31.9Very low39.4Very low199 Ų199158 Ų15887%0.87377%0.774SS**  trans-22.9124.4173.1-73-100.5000118.9
235S36.1Very low38.4Very low111 Ų111156.8 Ų156.878%0.77678%0.783SS**  33.7115.7124.4-177.70000119.7
236D33Very low37.6Very low155 Ų155161 Ų16183%0.82980%0.797SS**  trans-152.2153.5130.8-155.910.6000113
237N28.8Very low36.8Very low119 Ų119162.5 Ų162.564%0.63681%0.805SS**  trans39.2114.9171.7-143.267.3000121.2E239N237-E239 PolarHBondContact ND2-OE2 3.02Å
238E37.1Very low35.8Very low190 Ų190155.2 Ų155.289%0.88880%0.799SS**  trans-92.3123.7163.2-66.2169.689.200110.7
239E40Very low35Very low164 Ų164157.9 Ų157.977%0.76681%0.807SS**  trans-158.5154.6161.1-115.7164.5158.200111.5N237N237-E239 PolarHBondContact ND2-OE2 3.02Å
240D37.7Very low34.5Very low149 Ų149156.4 Ų156.480%0.79781%0.807SS**  trans50.482.5173.6-88-56.5000119.6
241R37.2Very low34.7Very low252 Ų252160.3 Ų160.395%0.95181%0.811SS**  trans-14034.1151.9-87.5-141.4177.3100.98.2115.2R243R241-R243 PolarHBondContact O-N 2.95Å
242D34.3Very low34.1Very low159 Ų159166.9 Ų166.985%0.8582%0.82SS**  trans-96.676179.1-129.8-35.3000112.9
243R35.8Very low33.9Very low233 Ų233168.5 Ų168.588%0.87982%0.824SS**  trans-169.5148.6149.7-111.7163.4-175.5-171.80.3116.6R241R241-R243 PolarHBondContact O-N 2.95Å
244S31.9Very low33.4Very low116 Ų116167 Ų16781%0.81182%0.824SS**  trans55.689.1160.758.30000118.4
245S31.6Very low33.3Very low116 Ų116165.5 Ų165.581%0.81182%0.816SS**  -166.796.9113-170.30000112.2
246Y32.9Very low32.9Very low236 Ų236165.1 Ų165.193%0.92581%0.806SS**  trans-164.2121.1156.1-97.6-69.6000109.2
247N30.9Very low32.9Very low160 Ų160165.8 Ų165.886%0.85680%0.804SS**  172.8144.1110.3-169.715.9000110.3
248G29.4Very low33Very low69 Ų69168.4 Ų168.471%0.71181%0.812SS**  trans178.593168.600000112.1
249Q31.2Very low32.9Very low180 Ų180167 Ų16784%0.84181%0.806SS**  trans-156.7141.2170.3-125.6171.93.700116.2
250S33.7Very low32.6Very low100 Ų100166 Ų16670%0.69981%0.811SS**  trans50.598.9148.660.70000121.8
251K37.3Very low32.4Very low190 Ų190165 Ų16583%0.82681%0.81SS**  21.5120.8112.5-176.8-177.7-179.2179.40118
252R33.9Very low32.1Very low254 Ų254159.3 Ų159.396%0.95880%0.803SS**  trans-154.3176.2145.6-105.8163.9-154.1-125.92.9110.3
253E30.3Very low32Very low169 Ų169156.1 Ų156.179%0.7979%0.79SS**  trans-134179.7-158.7-158.9171.2151.900111.2
254F25.8Very low32Very low187 Ų187154.5 Ų154.582%0.8279%0.789SS**  trans82.2135.8-164.5-69.6-105.3000113.9
255K30.7Very low32.1Very low166 Ų166153.9 Ų153.972%0.72279%0.785SS**  cis82.1132.423.1-161.8175.6169173.90112.2
256D28Very low32.1Very low103 Ų103154.1 Ų154.155%0.55178%0.781SS**  cis-121-162.819.8-89.1-71.3000114.7
257E32.3Very low31.9Very low169 Ų169150.5 Ų150.579%0.7977%0.773SS**  trans8.7160.315465.6-130.9153.300123.3
258E31.8Very low31.9Very low175 Ų175149.5 Ų149.582%0.81877%0.766SS**  cis-150.6-161.823.1-149-169.414200113.4
259E34.5Very low31.9Very low161 Ų161152 Ų15275%0.75277%0.767SS**  trans-68.6160.2-170.7-55.2-172.1150.400117.2
260T33.6Very low31.7Very low141 Ų141151.3 Ų151.387%0.86576%0.764SS**  -174.5154108.6240000113.5
261V33.6Very low31.8Very low129 Ų129150.9 Ų150.978%0.78277%0.766SS**  trans-125.7121.1-174.2174.50000112.2T263V261-T263 HydrophobicContact CG1-CG2 4.47Å
262T30.9Very low31.7Very low132 Ų132147.1 Ų147.181%0.8176%0.759SS**  trans-164.4147157.742.60000109.9
263T31.4Very low31.8Very low93 Ų93143.1 Ų143.157%0.57175%0.751SS**  cis156.7133.4-32.240.10000107V261V261-T263 HydrophobicContact CG1-CG2 4.47Å
264K37.2Very low32.1Very low198 Ų198139.9 Ų139.986%0.86174%0.743SS**  trans70.9156.3171.4-49.4148.9-177.7172.30113.8
265S33.5Very low32.4Very low103 Ų103137.4 Ų137.472%0.7274%0.744SS**  cis-151.3145.51.9-5.60000108.2
266V31.9Very low32.5Very low121 Ų121133.3 Ų133.373%0.73374%0.741SS**  59.3122.277.9-178.70000110.9
267Q27.7Very low32.7Very low161 Ų161135.1 Ų135.175%0.75276%0.756SS**  cis-167.6152.233.2-140.2153.79.700114.4
268I30.6Very low32.6Very low139 Ų139138 Ų13871%0.71376%0.759SS**  trans52.2139.7139.6-71.8179.2000119.9
269V29.2Very low32.6Very low120 Ų120138.3 Ų138.373%0.72776%0.758SS**  -154.5140.865.3-139.50000117.2
270Q28.8Very low32.3Very low167 Ų167142.6 Ų142.678%0.7877%0.767SS**  trans16127.3150.9-66.7170.1-60.600125.6
271A34Very low32Very low90 Ų90139.3 Ų139.374%0.74476%0.762SS**  -161.8120.2109.800000107.7
272T35.9Very low32.5Very low112 Ų112139.8 Ų139.869%0.68777%0.765SS**  64126.96366.10000115.9
273E35.7Very low33.3Very low169 Ų169139.5 Ų139.579%0.7977%0.765SS**  cis-173.7166.2-17.5-97.4-120.9109.300107.7
274T36.5Very low33.6Very low102 Ų102140.4 Ų140.463%0.62678%0.775SS**  cis-170.7133.4-31.7-90.20000110.5
275T32.5Very low33.6Very low134 Ų134142.1 Ų142.182%0.82278%0.776SS**  trans-163.2110.7158-97.60000108.5
276A32.9Very low33.6Very low81 Ų81146.5 Ų146.567%0.66978%0.782SS**  74.4124.47400000112.2
277T32.3Very low34Very low141 Ų141146.7 Ų146.787%0.86578%0.783SS**  cis-142179.526.3530000115.1
278R30Very low34.3Very low228 Ų228145.7 Ų145.786%0.8678%0.783SS**  trans-88.8175.6-178.9-56.9171165.7177.9-6.4111.9
279K31.8Very low35.1Very low183 Ų183146.7 Ų146.780%0.79679%0.789SS**  cis-144.1145.315.1-64.1173.5-177173.20107.9
280R28.5Very low35.2Very low250 Ų250144.5 Ų144.594%0.94379%0.791SS**  65.9116.960.4-176.5-176.4-73.7-149.8-0.8115.4
281G27.8Very low35.8Very low72 Ų72141.7 Ų141.774%0.74280%0.797SS**  trans176.969.4168.700000118.3
282V43.1Very low35.9Very low139 Ų139141.3 Ų141.384%0.84279%0.793SS**  trans-147.5150.6161.9-1230000107.5
283P48.3Very low35.8Very low126 Ų126140.3 Ų140.382%0.81880%0.796SS**  -145-178.965.841.2-22.7000116
284S37.2Very low36.1Very low112 Ų112140 Ų14078%0.78380%0.795SS**  trans-102.8150178.351.10000114.5
285R36.6Very low35.9Very low234 Ų234144 Ų14488%0.88380%0.799SS**  trans-146.8131.6160.5-70.1-167.9177.4-180-1.5106.4
286K34.5Very low36Very low195 Ų195143.9 Ų143.985%0.84880%0.799SS**  58.3135.675.5-60.1-171-177.9-1680113.1
287V39.6Very low35.8Very low125 Ų125143.3 Ų143.376%0.75880%0.801SS**  cis-106.6-127.51.3-148.10000110.4
288D34.1Very low35.8Very low141 Ų141143.1 Ų143.175%0.75480%0.795SS**  cis-152.8-176.3-5.5-138.7-46.7000111.6
289L47.5Very low35.9Very low159 Ų159140.6 Ų140.683%0.83279%0.793SS**  trans-113.3146.9-171.7-7966.2000115.1
290G32.1Very low36.1Very low74 Ų74136.9 Ų136.976%0.76379%0.79SS**  trans118.6145.6137.500000119.4
291A40.6Very low37.3Very low109 Ų109130.1 Ų130.190%0.90178%0.778SS**  trans60.8165.7166.300000118.3
292A36.5Very low37.7Very low82 Ų82133.5 Ų133.568%0.67878%0.779SS**  cis-175.9146.9-42.500000107.1
293A33.9Very low37.3Very low90 Ų90133.3 Ų133.374%0.74478%0.778SS**  trans62.2168.4-176.900000112.9
294H41.1Very low36.6Very low164 Ų164133.9 Ų133.976%0.75978%0.78SS**  cis-136.3-164.126.2-78.9-83.7000114
295Y32Very low36.5Very low184 Ų184132.7 Ų132.772%0.72278%0.777SS**  trans-115.9-178.7-154.756.9-77000112
296T35.1Very low36.3Very low132 Ų132130.1 Ų130.181%0.8177%0.772SS**  trans74.7150.8-174.174.90000115.8
297G29.8Very low36.3Very low70 Ų70127.6 Ų127.672%0.72276%0.763SS**  cis-177.5143.1-7.600000114.8
298D32.1Very low35.8Very low136 Ų136128 Ų12873%0.72777%0.766SS**  trans24.3119.4142.5-172.139.9000121
299Q32Very low35.6Very low176 Ų176129.5 Ų129.582%0.82277%0.769SS**  -176.8144.5114.6-99.4163.431.100115.1
300S35.6Very low35.6Very low105 Ų105127.3 Ų127.373%0.73476%0.764SS**  trans-99.5-171.3163.3-40.80000108.7
301P53.2Low35.4Very low107 Ų107128.5 Ų128.570%0.69577%0.766SS**  cis-150.3173.634.942.5-19.6000119.9
302D36Very low34.9Very low143 Ų143128.5 Ų128.577%0.76577%0.766SS**  trans35.1132.6143.6-61.3-44.9000124.4
303T34.8Very low35Very low135 Ų135129.2 Ų129.283%0.82877%0.772SS**  179.81359829.20000116.1
304T34.4Very low35.3Very low139 Ų139130.9 Ų130.985%0.85378%0.776SS**  trans15.7140.2140.6-580000121
305A35.2Very low35Very low86 Ų86131 Ų13171%0.71178%0.777SS**  cis-170.2-145.3-13.800000108.4
306K32.8Very low35.5Very low180 Ų180128.6 Ų128.678%0.78378%0.783SS**  cis-159.2-139.29.1-145.3-152.4-170.1-144.70114.6
307Q32.8Very low35.1Very low143 Ų143126.5 Ų126.567%0.66878%0.779SS**  trans-105.9168.4-170.7-61.3161.4-59.600112.3
308T29.1Very low35.5Very low132 Ų132128 Ų12881%0.8178%0.779SS**  cis-158.5167.828.5-37.40000114.2
309Q30.6Very low35.7Very low174 Ų174128.5 Ų128.581%0.81379%0.787SS**  trans-64.8-177.1172.9-92.9180-1700118
310P48.4Very low35.7Very low112 Ų112123.3 Ų123.373%0.72778%0.781SS**  cis-142.7-175.8-25.336.3-15.9000117.1
311A27.5Very low35.6Very low99 Ų99126.4 Ų126.482%0.81879%0.789SS**  trans10595.6135.900000122.4
312A29.4Very low34.7Very low109 Ų109125.9 Ų125.990%0.90179%0.793SS**  trans-166.7157.2136.300000110.5
313A38.9Very low34.5Very low98 Ų98126.3 Ų126.381%0.8180%0.795SS**  trans-109.9170.8-176.700000111.4
314P40.7Very low34.3Very low125 Ų125126.3 Ų126.381%0.81279%0.789SS**  cis-131.5-179.813.341.8-24.4000116.7
315Q33.7Very low34.2Very low167 Ų167127 Ų12778%0.7879%0.787SS**  trans-111.4179.4173-61.2-171-2800111.7
316P43.4Very low34.3Very low132 Ų132132.5 Ų132.586%0.85780%0.801SS**  -137.8148.487.237.8-25.4000116
317A27.6Very low34.3Very low88 Ų88130.6 Ų130.673%0.72780%0.804SS**  trans-141.9175.4161.200000109.1
318S36.8Very low34.1Very low103 Ų103130.2 Ų130.272%0.7281%0.807SS**  trans-116.8173.1-152.452.70000117.2
319T37.6Very low34.1Very low145 Ų145129.7 Ų129.789%0.8980%0.803SS**  trans93.8157.116074.40000120.2
320G30.5Very low34Very low68 Ų68127.6 Ų127.670%0.70180%0.803SS**  trans118111.2-172.100000110.9
321L34.3Very low34Very low170 Ų170127.7 Ų127.789%0.8980%0.803SS**  cis97.3122.325.4-63179.7000115.9
322A34.1Very low34.1Very low96 Ų96129 Ų12979%0.79381%0.807SS**  trans65.2122.4152.800000122.5
323D31.4Very low34.1Very low151 Ų151132.7 Ų132.781%0.80781%0.805SS**  trans-165.3117.4133.2-132.717.3000105.7
324L32Very low34.4Very low135 Ų135133.6 Ų133.671%0.70780%0.803SS**  74.8112.960.1-73.5168.8000116.2
325L32.1Very low34Very low153 Ų153131.7 Ų131.780%0.80180%0.797SS**  trans57.294.1145.1-56.7173.3000120
326M36.5Very low34.1Very low202 Ų202128.2 Ų128.2100%0.99580%0.797SS**  trans-137.5167.3130.9-75.8-152.2174.200110.1
327V33.7Very low33.7Very low141 Ų141128.1 Ų128.186%0.85579%0.794SS**  trans-135.5158-151.964.60000113.9
328D27.8Very low34.1Very low135 Ų135130.9 Ų130.972%0.72280%0.797SS**  trans104.1152.5147.5-148.116.8000120.8
329T30Very low34.2Very low121 Ų121132.6 Ų132.674%0.74280%0.797SS**  trans68.3108.2163.842.30000121.3
330T28.8Very low34Very low130 Ų130135 Ų13580%0.79880%0.795SS**  trans-73-175.6147.357.10000110.1
331P48.2Very low34Very low114 Ų114134.8 Ų134.874%0.7479%0.793SS**  cis-139.7172.35.543-25.7000117.5
332S28.1Very low33.9Very low127 Ų127130.4 Ų130.489%0.88879%0.789SS**  trans-168.9136.2140.3-82.20000112.7
333Q30.1Very low33.6Very low185 Ų185135.3 Ų135.386%0.86479%0.793SS**  trans-147.4176.7174.8-121.6-164.3-15.400107.4
334P45.4Very low33.9Very low118 Ų118132.3 Ų132.377%0.76679%0.789SS**  cis-82.6-149.23.538.7-39.9000112
335A31.3Very low33.8Very low85 Ų85132.6 Ų132.670%0.70279%0.792SS**  cis-150.4159.18.200000109.1
336A36.1Very low33.7Very low93 Ų93134.1 Ų134.177%0.76979%0.792SS**  cis81.9123.534.900000114
337T35.4Very low33.4Very low130 Ų130130.2 Ų130.280%0.79878%0.775SS**  cis-132.2150.14.549.20000111.2
338D36.1Very low33.4Very low146 Ų146128.3 Ų128.378%0.78177%0.768SS**  cis99.4154.932.9-150.9-9.1000113.6
339L39.2Very low34.3Very low140 Ų140127.8 Ų127.873%0.73377%0.772SS**  trans68.5137.9-169.8-80.359.1000115.6
340F33.4Very low34.3Very low194 Ų194126.9 Ų126.985%0.85178%0.777SS**  cis-141.61524.8-145.9-79.4000110.1
341G30.9Very low34.4Very low64 Ų64124.9 Ų124.966%0.6677%0.773SS**  trans-158.5174.7175.500000113.8
342G30.9Very low33.6Very low78 Ų78124.5 Ų124.580%0.80477%0.774SS**  trans102.8108.6168.400000116
343F29.4Very low33.8Very low199 Ų199125.5 Ų125.587%0.87378%0.775SS**  -147.4117.2127.9-151.2-91.1000109.7
344A35.9Very low33.8Very low88 Ų88120.4 Ų120.473%0.72777%0.772SS**  trans-137.1150.8172.500000108.1
345D31.2Very low32.9Very low141 Ų141123.7 Ų123.775%0.75478%0.777SS**  trans61.9123.1174.6-102.3-58.8000119.2
346F30Very low32.8Very low186 Ų186125.4 Ų125.482%0.81678%0.778SS**  -152.488.2126.9-154.9-101000113.6
347N29.5Very low32.4Very low120 Ų120127.1 Ų127.164%0.64279%0.785SS**  trans70.1139.4130.3-149.710.2000121
348S34.2Very low32.1Very low101 Ų101124.2 Ų124.271%0.70678%0.781SS**  trans-96.8177.4174.5-53.10000111.7
349P46.5Very low31.7Very low123 Ų123123.1 Ų123.180%0.79979%0.785SS**  -152.3176.592.139.9-22.1000116.6
350A29.7Very low31.2Very low102 Ų102121.4 Ų121.484%0.84379%0.79SS**  trans74.4139.8166.900000116.9
351A30.1Very low30.9Very low88 Ų88116.6 Ų116.673%0.72779%0.786SS**  cis-149.7165.7-000000113.3
352S32.8Very low30.9Very low107 Ų107120.5 Ų120.575%0.74880%0.797SS**  trans71.5102.6155.3-55.20000120.6
353T30.8Very low30.9Very low147 Ų147122.1 Ų122.190%0.90280%0.796SS**  trans27.5130.3134.649.90000121
354G30.8Very low31.1Very low79 Ų79118.3 Ų118.381%0.81479%0.794SS**  cis174.5164.6-0.200000115.9
355Q27.2Very low31.6Very low187 Ų187120 Ų12087%0.87480%0.798SS**  trans-86.9168.1169.9-81.3179.1-49.900110.7
356V27.7Very low31.9Very low120 Ų120121.7 Ų121.773%0.72781%0.807SS**  cis-157.4158-0.2-1060000107.9
357S28.4Very low32Very low130 Ų130116.2 Ų116.291%0.90980%0.803SS**  trans179.7163.2138-84.40000112.5
358G29.5Very low32.3Very low68 Ų68118 Ų11870%0.70181%0.813SS**  trans-155.6-172.2172.600000112.3
359S27.9Very low32.2Very low124 Ų124123.1 Ų123.187%0.86782%0.823SS**  trans79.393.1171.7-56.40000119.4
360A28Very low31.5Very low103 Ų103120.2 Ų120.285%0.85182%0.815SS**  37.9135.3122.900000123.9
361A28.1Very low31.6Very low93 Ų93122.9 Ų122.977%0.76981%0.81SS**  trans-177.111713100000110.2
362V29.6Very low31.6Very low146 Ų146130.2 Ų130.289%0.88582%0.819SS**  74.7117.287.8172.70000115.9
363S30.9Very low31.6Very low112 Ų112129.2 Ų129.278%0.78381%0.806SS**  -179.8145.6129.557.70000112.7
364S35.3Very low31.9Very low119 Ų119126.4 Ų126.483%0.83280%0.797SS**  trans-124.8152.1163.1-54.60000109.5
365P45.7Very low31.9Very low125 Ų125131.4 Ų131.481%0.81280%0.797SS**  trans-132.8164.7145.337-25.5000113.6
366N38Very low32.7Very low175 Ų175128.2 Ų128.294%0.93679%0.792SS**  trans-106.9162.3172.2-106.15.4000110.2
367G30.7Very low32.9Very low72 Ų72126.6 Ų126.674%0.74280%0.8SS**  trans111.2106.8176.100000110.8
368D36.4Very low33Very low158 Ų158124.2 Ų124.285%0.84580%0.796SS**  76.590.961.7-167.8-130.9000113.4
369F31.6Very low33Very low208 Ų208130.4 Ų130.491%0.91281%0.806SS**  trans-157.7134.4149.4-136.6-93.1000108.1
370G31.8Very low33.5Very low62 Ų62132 Ų13264%0.63980%0.804SS**  trans-108.7-161.2-171.500000115
371E31.8Very low34.1Very low157 Ų157133.3 Ų133.373%0.73480%0.803SS**  trans67110.6161.2-170.4176175.400118.7N373E371-N373 PolarHBondContact OE1-ND2 2.84Å
372W30.1Very low34.3Very low242 Ų242133.1 Ų133.192%0.91780%0.802SS**  -145.6100.6114.3-144.640.8000114.3
373N33.4Very low34.3Very low87 Ų87132.3 Ų132.347%0.46580%0.802SS.*  trans32.6122.9147.9-71.5-74000121.8E371E371-N373 PolarHBondContact OE1-ND2 2.84Å
374A37.3Very low34.2Very low88 Ų88130.9 Ų130.973%0.72780%0.798SS**  trans-71.2177.4144.800000110.8
375F30Very low33.9Very low183 Ų183134.5 Ų134.580%0.80380%0.802SS**  trans151.3162.9152.4-83.7-50.4000111
376P45.4Very low33.2Very low121 Ų121133.9 Ų133.979%0.78680%0.8SS**  cis-131.7163.9-14.929.5-10000115.7
377G30.1Very low33.3Very low86 Ų86131.4 Ų131.489%0.88779%0.793SS**  trans102.7126.6139.600000118.5
378G30.9Very low33.1Very low79 Ų79135.6 Ų135.681%0.81479%0.794SS**  trans158.396172.500000112.1
379Q30.8Very low32.9Very low198 Ų198133.8 Ų133.893%0.92578%0.784SS**  trans-75.8153.8-169.3-66.7159.9-71.900114.5
380I37.1Very low33Very low159 Ų159129.4 Ų129.482%0.81578%0.779SS**  trans-71155.9163.1-11.4174.9000110.2
381P42.1Very low32.9Very low129 Ų129129.9 Ų129.984%0.83878%0.784SS**  -143.6175.693.939.3-24.9000114.6
382A30.8Very low33.1Very low90 Ų90133.2 Ų133.274%0.74479%0.79SS**  trans-115.6146.4-17900000112.9
383S29.5Very low33.4Very low128 Ų128127.8 Ų127.890%0.89578%0.779SS**  trans177.9153.8158.8-79.20000107.1
384A30.3Very low33.4Very low83 Ų83131.6 Ų131.669%0.68680%0.798SS**  cis168.5166-18.100000104.9
385Q28Very low33Very low195 Ų195137.4 Ų137.491%0.91181%0.808SS**  trans73.5113.6167.2-57.9-177.6-19.800119.7
386S31.3Very low33Very low111 Ų111131.7 Ų131.778%0.77680%0.8SS**  trans-76165.9140.8-22.50000109.3
387P40.3Very low32.5Very low123 Ų123130.5 Ų130.580%0.79980%0.8SS**  -151-172.55641.5-19.7000117.8
388E26.6Very low32.6Very low160 Ų160135 Ų13575%0.74880%0.8SS**  trans-35.2162.6154.3-103.2169.974.500115.5
389N31.7Very low32.9Very low120 Ų120134.6 Ų134.664%0.64279%0.789SS**  cis-164.6157.339.3-143.7-31.5000116.3
390S33.2Very low32.8Very low117 Ų117131.7 Ų131.782%0.81879%0.785SS**  trans10152.6154.7-61.80000126.1
391G30Very low32.4Very low71 Ų71128.3 Ų128.373%0.73278%0.782SS**  trans134.2117.5163.600000111.9
392R36.3Very low32Very low228 Ų228127.3 Ų127.386%0.8678%0.778SS**  cis60.7127.618-74.7-165.8175.6171.11.9114.1
393D35.8Very low33.1Very low128 Ų128128.5 Ų128.568%0.68478%0.778SS**  cis-153-165.95.5-97.8-41.5000110.5
394L33.8Very low33.2Very low166 Ų166128.1 Ų128.187%0.86977%0.77SS**  trans99108153.9-54.5169.2000119.6
395F29.6Very low33.4Very low211 Ų211128.3 Ų128.393%0.92577%0.772SS**  -137142.8116-167.3-90.1000109.8
396G30.3Very low34.2Very low62 Ų62124 Ų12464%0.63976%0.761SS**  trans-179.4145.8171.200000111.5
397A34.5Very low34.4Very low97 Ų97125.1 Ų125.180%0.80276%0.763SS**  trans-176.6127.1160.100000111
398M32.7Very low35.6Very low179 Ų179124.7 Ų124.788%0.88276%0.76SS**  -156.3144.6115.4-172.949.9-169.400109.2
399A35.6Very low35.7Very low71 Ų71124.4 Ų124.459%0.58777%0.769SS**  trans-82170.1178.200000111
400T29.2Very low35.7Very low137 Ų137123.4 Ų123.484%0.8478%0.778SS**  cis-154.1168.428.3-11.90000108
401A29.3Very low35.6Very low89 Ų89122.8 Ų122.874%0.73678%0.78SS**  cis-147.9-123.59.900000112.8
402S34.3Very low35.6Very low108 Ų108124.6 Ų124.676%0.75579%0.788SS**  trans-171.3177.3-164.951.30000109.6
403P53.3Low35.4Very low115 Ų115118.2 Ų118.275%0.74778%0.783SS**  cis-115.2-148.9-10.229.3-6000110.2
404T30.9Very low35.9Very low119 Ų119117.6 Ų117.673%0.7379%0.786SS**  cis-159.6152-0.8-11.90000105.2
405A34.6Very low35.8Very low87 Ų87114.1 Ų114.172%0.71978%0.782SS**  cis78.5152.714.600000116.2
406P45.5Very low36.7Very low105 Ų105109.7 Ų109.768%0.68277%0.774SS**  cis-141.3154.1-1.942.6-24.2000119.4
407T34.7Very low36.9Very low134 Ų134111.1 Ų111.182%0.82278%0.78SS**  trans72.3152.8135.552.20000126
408P65.2Low36.9Very low115 Ų115111.7 Ų111.775%0.74778%0.778SS**  trans-121.6178.617745.3-33.8000115.4
409V29Very low37.1Very low154 Ų154107.4 Ų107.493%0.93377%0.771SS**  trans-160.6174.3149.8-106.30000111.4
410A32.6Very low37.3Very low99 Ų99110.8 Ų110.882%0.81878%0.779SS**  trans-143.8166.9-171.700000115.5
411A31.6Very low37.6Very low104 Ų104110.2 Ų110.286%0.8677%0.77SS**  trans85.5160.3158.300000121
412A29.1Very low38Very low109 Ų109114.5 Ų114.590%0.90177%0.773SS**  trans89.3144.9176.400000119.2
413A32.4Very low37.9Very low93 Ų93115.1 Ų115.177%0.76977%0.768SS**  trans-101.8-163.7-168.500000111.3
414P46.3Very low37.1Very low115 Ų115116.6 Ų116.675%0.74777%0.768SS**  cis-144.3166.93.143.3-24.2000119.3
415A31Very low37.2Very low94 Ų94119 Ų11978%0.77777%0.773SS**  trans61.9178.3145.900000119.6
416P49.6Very low37.2Very low118 Ų118118 Ų11877%0.76677%0.772SS**  -131.3-179.8-62.539.4-26000114.4
417A32.8Very low38Very low91 Ų91119.2 Ų119.275%0.75278%0.78SS**  trans68.4158.2159.100000118.3
418S35Very low37.7Very low110 Ų110117.7 Ų117.777%0.76978%0.775SS**  cis-171153.6-23.5-90.60000109.9
419A37.8Very low36Very low89 Ų89119.4 Ų119.474%0.73677%0.773SS**  trans66.3168.5157.400000116.1
420D38.7Very low36Very low141 Ų141117.3 Ų117.375%0.75476%0.76SS**  cis-170.7169.5-14.9-111.722.5000107.6
421L35.5Very low36.1Very low126 Ų126120.7 Ų120.766%0.6676%0.764SS**  cis-168.4151.2-11176.863.3000109.2
422F37.5Very low35.9Very low178 Ų178122.6 Ų122.678%0.78177%0.765SS**  trans64.8167.8167.2-92.4-140.2000116.5
423D33Very low36.1Very low122 Ų122122.2 Ų122.265%0.65276%0.756SS**  cis-141.9150.89.7-15610.4000115.2
424L35.5Very low36Very low145 Ų145122.9 Ų122.976%0.75976%0.755SS**  trans-9.5138.3153.5-162.263.2000118.1
425M34.2Very low35.4Very low170 Ų170126.4 Ų126.484%0.83776%0.761SS**  177.7148.564.2-154.4-104.9-74.500112.9
426G34.2Very low35.5Very low67 Ų67126.4 Ų126.469%0.69176%0.756SS**  trans91.9136.7157.100000118.5
427P62.1Low34.8Very low130 Ų130128.5 Ų128.584%0.84476%0.759SS**  trans-119.1154.6-175.440.5-31.3000116.2
428S27.8Very low35Very low102 Ų102130.5 Ų130.571%0.71376%0.757SS**  trans-177.7170.2137.1-1590000113.6
429Q31.5Very low34.6Very low151 Ų151134.9 Ų134.971%0.70676%0.763SS**  trans69.291.7161.4-50.3-54.8-4.500122.1
430T28.3Very low34.1Very low110 Ų110135.8 Ų135.868%0.67576%0.764SS**  53.4145.5119.663.30000124.5
431L34Very low33.7Very low170 Ų170137.9 Ų137.989%0.8977%0.771SS**  trans79120161.6-51.1-171.6000118.2
432T28.7Very low33.4Very low144 Ų144137.3 Ų137.388%0.88378%0.778SS**  trans-150.2157.4153.5-1710000109.7
433S32.8Very low33.3Very low101 Ų101134 Ų13471%0.70678%0.776SS**  trans-135126.9-170-640000112.6
434S31Very low33.3Very low107 Ų107133.6 Ų133.675%0.74878%0.779SS**  trans70.4152153.5-51.20000119.4
435Q32.7Very low33.1Very low188 Ų188134.5 Ų134.588%0.87978%0.779SS**  trans74.3143.2166.2-53.9-176111.500116.2
436S32.3Very low32.9Very low95 Ų95131.8 Ų131.866%0.66477%0.772SS**  cis-169.8177.2-14.853.10000111.6
437L35.1Very low32.8Very low161 Ų161137 Ų13784%0.84378%0.781SS**  trans78.3149.8158.8-62.7174.9000120.7
438N36.6Very low31.6Very low133 Ų133135.8 Ų135.871%0.71178%0.775SS**  trans-72165.2179.8-56.3-77.1000113.1
439F28.5Very low31.7Very low203 Ų203137.6 Ų137.689%0.8978%0.782SS**  -168.3172.6102.9-103.4-64.7000113.9
440S26.3Very low32Very low108 Ų108137.6 Ų137.676%0.75579%0.787SS**  trans-82.2164.9-165.2-57.10000115.7
441M29.8Very low32.2Very low185 Ų185139.9 Ų139.991%0.91179%0.793SS**  trans-23136.5151.9-71.2173.5156.200115.9
442S30.4Very low32.3Very low114 Ų114139.7 Ų139.780%0.79779%0.79SS**  -165.3134.3109.642.70000113
443S35.1Very low33.2Very low107 Ų107138.6 Ų138.675%0.74879%0.785SS**  trans27.2142.3141.4-142.90000120.2
444T31.6Very low33.4Very low115 Ų115142.9 Ų142.971%0.70679%0.794SS**  cis-163.9154.232.7-36.50000108.6
445Q31.9Very low34.6Very low164 Ų164142.9 Ų142.977%0.76679%0.792SS**  173.7147.390.7-84.2-176.38300111.9
446T31.2Very low34.4Very low112 Ų112141 Ų14169%0.68779%0.793SS**  trans49.8139.3143.959.10000121.8
447M32.3Very low34.4Very low178 Ų178141.5 Ų141.588%0.87780%0.796SS**  cis-155.6172.71.1-97.8-84.8-17800109.9
448S35.2Very low34.5Very low103 Ų103142.4 Ų142.472%0.7280%0.796SS**  trans-96.6157.9-160-40.90000117.5
449T31.7Very low35.2Very low141 Ų141141.7 Ų141.787%0.86580%0.799SS**  -173.5168.4128.918.60000112.4
450N35.8Very low35.6Very low151 Ų151137.9 Ų137.981%0.80779%0.792SS**  trans-127.7-179.2-170.5-62.7-67.9000110.4
451I33.4Very low36.7Very low157 Ų157138.5 Ų138.581%0.80579%0.793SS**  cis-155.8-153.722.1-157154.3000112.8
452M36.2Very low36.9Very low166 Ų166136.1 Ų136.182%0.81878%0.784SS**  trans-61.6159.6-176.4-62.8161.4165.700116.7
453P47.4Very low37Very low121 Ų121139.2 Ų139.279%0.78679%0.788SS**  trans-110.2141.2162.137.5-28.3000114.7
454Q36.3Very low36.8Very low192 Ų192137.9 Ų137.990%0.89779%0.791SS**  trans-152165.2164.4-91.8-87.8-24.200108.4
455P57.6Low36.8Very low107 Ų107135.8 Ų135.870%0.69579%0.793SS**  trans-106169.2-151.340.1-37.6000117.4
456V27.9Very low38.2Very low149 Ų149133.7 Ų133.790%0.90379%0.794SS**  trans-161.3177.5159.8121.50000111.3
457S31.9Very low38.2Very low105 Ų105136.4 Ų136.473%0.73480%0.803SS**  trans-138.1164.8-163.1-48.40000117
458Q37Very low38.5Very low179 Ų179136.4 Ų136.484%0.83680%0.801SS**  trans73.1166.3164-63.1-153.115.300118.1
459P51.5Low39.1Very low118 Ų118137.1 Ų137.177%0.76680%0.803SS**  cis-131.5-162.85.638.1-16.6000117.7
460V37.2Very low39Very low124 Ų124139.1 Ų139.175%0.75280%0.803SS**  trans-79.5170.9-167.1-128.10000115.9
461P50.4Low39.6Very low121 Ų121137.2 Ų137.279%0.78680%0.798SS**  -157146.571.841.1-18.5000122.4
462N33.7Very low39.5Very low135 Ų135137.6 Ų137.672%0.72280%0.799SS**  trans57.8122.8131.8-175.385000124.7
463M31.8Very low39.3Very low178 Ų178138.2 Ų138.288%0.87780%0.8SS**  -171.6132.6122.6-16063.7162.900114.1
464G30.5Very low39.3Very low79 Ų79138.1 Ų138.181%0.81480%0.799SS**  trans99.8138.6155.300000120.4
465G33Very low38.9Very low72 Ų72132.8 Ų132.874%0.74280%0.795SS**  trans-151.5-151.9171.100000110
466P61.1Low37.7Very low120 Ų120137 Ų13778%0.77981%0.808SS**  cis-141.6-162.6-5.735.2-10.9000115.2
467L30.3Very low37.8Very low169 Ų169133.8 Ų133.889%0.88580%0.798SS**  trans114.7169.7156.7-64.8162.3000120.6
468Q37.9Very low37.8Very low178 Ų178133.5 Ų133.583%0.83280%0.796SS**  trans-143.3-177.4-143.9-108.5-177.210.400111.9
469P47.9Very low37.6Very low118 Ų118134.1 Ų134.177%0.76680%0.798SS**  cis-136.9-160.3-18.836.9-14.2000115.4
470Q31.3Very low36.7Very low182 Ų182131.8 Ų131.885%0.8580%0.795SS**  trans-70.5177.4178.6-112.2176.6-2.600116
471P48.1Very low36.9Very low111 Ų111132.2 Ų132.272%0.72180%0.801SS**  -157.4174.550.144.1-21.1000122.7
472M30Very low36Very low165 Ų165129.6 Ų129.681%0.81380%0.796SS**  trans61109.9146.3-76172.46400126.3
473Q33.1Very low36Very low179 Ų179128.4 Ų128.484%0.83681%0.805SS**  41.1165.4111.3-92.8-166.312.100124.1
474P46.7Very low36.1Very low120 Ų120129 Ų12978%0.77980%0.803SS**  cis-134.9175.2-7.137.7-19.2000116.8
475G28.4Very low36.5Very low79 Ų79132.6 Ų132.681%0.81481%0.808SS**  trans-176.8137.9165.600000113.8
476M32.4Very low36.6Very low196 Ų196134.3 Ų134.397%0.96681%0.809SS**  trans-105.4168.2-175.8-50.9174.9169.300111.2
477A30.2Very low35.5Very low82 Ų82136.3 Ų136.368%0.67881%0.812SS**  cis-155.4171.99.200000112.2
478S32Very low35.8Very low99 Ų99134 Ų13469%0.69281%0.807SS**  trans28.8142.914757.60000122.2
479Q32.9Very low35.6Very low192 Ų192130.5 Ų130.590%0.89780%0.803SS**  cis-164.2161.31.3-109168.819.600108.1
480G31.8Very low35.3Very low68 Ų68130.4 Ų130.470%0.70180%0.8SS**  trans-102.1-156.6168.700000112.3
481P40.6Very low35.9Very low133 Ų133133.3 Ų133.386%0.86480%0.804SS**  cis-139.3-175.4-6.643-26.2000114.7
482G31.6Very low35.7Very low67 Ų67132.5 Ų132.569%0.69180%0.8SS**  trans99.397.4147.100000118
483A33.8Very low35.9Very low110 Ų110130.4 Ų130.491%0.90979%0.793SS**  trans-73140.517300000112.9
484K34.9Very low36.3Very low190 Ų190131.4 Ų131.483%0.82680%0.797SS**  trans-140.5137.1169.9-58.9-179-173.4177.10108.5
485V39.4Very low36.2Very low154 Ų154129.8 Ų129.893%0.93379%0.788SS**PPolyproline II helixtrans-78.2130.4-176.8-179.50000110
486S34.6Very low37.2Very low109 Ų109131.5 Ų131.576%0.76278%0.783SS**PPolyproline II helixtrans-102.9136.5-176.3-60.80000112
487L36.9Very low37.6Very low161 Ų161129.1 Ų129.184%0.84377%0.774SS**PPolyproline II helixtrans-79.1149.9169.2-67.9165.2000110.3
488P36.4Very low38.5Very low120 Ų120131.6 Ų131.678%0.77977%0.774SS**PPolyproline II helixtrans-70.9135.7178.929.1-34.4000111.7
489S34Very low39.1Very low105 Ų105130.2 Ų130.273%0.73477%0.765SS**PPolyproline II helixtrans-92.8130.5177.3-63.50000111.4
490T42.6Very low40Very low116 Ų116128 Ų12871%0.71276%0.758SS**  trans-12721.5171.566.80000112.2
491W44.1Very low40.9Very low244 Ų244131.6 Ų131.692%0.92476%0.762SS**  trans-135.643.8-170.3-71.899.8000112.2
492S43.2Very low41.6Very low93 Ų93133.6 Ų133.665%0.6576%0.757SS**  trans-148.460.5177.262.90000111.1
493D34Very low42.5Very low122 Ų122137.9 Ų137.965%0.65276%0.763SS**  trans-129.8123.2163.9-171.4-15.8000108.3S495D493-S495 VanDerWaalsContact CG-OG 3.22Å; D493-S495 PolarHBondContact O-N 2.8Å; D493-S495 WeakPolarHBondContact OD1-CB 3.25Å; D493-S495 PolarHBondContact OD1-N 3.3Å; D493-S495 PolarHBondContact OD1-OG 3.37Å; D493-S495 PolarHBondContact OD2-OG 3.36Å
494H42.3Very low43.1Very low199 Ų199135.2 Ų135.292%0.92175%0.747SS**  trans-99.342.3-176-71.7-81.9000111.9
495S43.2Very low43.3Very low86 Ų86133 Ų13360%0.60175%0.751SS**  trans-127.115.2-176.366.70000115.8D493D493-S495 VanDerWaalsContact CG-OG 3.22Å; D493-S495 PolarHBondContact O-N 2.8Å; D493-S495 WeakPolarHBondContact OD1-CB 3.25Å; D493-S495 PolarHBondContact OD1-N 3.3Å; D493-S495 PolarHBondContact OD1-OG 3.37Å; D493-S495 PolarHBondContact OD2-OG 3.36Å
496V49.4Very low43.8Very low116 Ų116129.2 Ų129.270%0.70374%0.744SS**  trans-96.896.7173.8-167.50000111I498V496-I498 HydrophobicContact CG1-CD1 4.32Å; V496-I498 HydrophobicContact CG1-CG1 3.86Å; V496-I498 PolarHBondContact O-N 2.92Å
497N41.4Very low44.2Very low146 Ų146132.8 Ų132.878%0.78175%0.751SS**  trans-79.2108.9171.7-169.3-74.6000109.8
498I50.1Low44.9Very low133 Ų133134 Ų13468%0.68275%0.752SS**  trans-101.5102.2177.9-55.2177.7000108.5V496 L500V496-I498 HydrophobicContact CG1-CD1 4.32Å; V496-I498 HydrophobicContact CG1-CG1 3.86Å; V496-I498 PolarHBondContact O-N 2.92Å; I498-L500 WeakPolarHBondContact O-CD1 3.34Å; I498-L500 PolarHBondContact O-N 3.14Å
499S44.9Very low45.7Very low71 Ų71133.8 Ų133.850%0.49775%0.751SS.*  trans-63.5120.1176.3-55.10000111.4D501S499-D501 PolarHBondContact O-N 2.9Å; S499-D501 VanDerWaalsContact O-N 3.13Å
500L50.7Low46.1Very low144 Ų144134.9 Ų134.975%0.75476%0.756SS**G310 helixtrans-65.8-11177.2-89.766.1000114I498 F502 L503I498-L500 WeakPolarHBondContact O-CD1 3.34Å; I498-L500 PolarHBondContact O-N 3.14Å; L500-F502 PolarHBondContact O-N 2.78Å; L500-F502 VanDerWaalsContact O-N 3.13Å; L500-L503 PolarHBondContact O-N 2.83Å
501D50.1Low45.8Very low145 Ų145139 Ų13978%0.77576%0.764SS**G310 helixtrans-58.4-25.4-174.4-140.7-126.7000114.1S499 L503S499-D501 PolarHBondContact O-N 2.9Å; S499-D501 VanDerWaalsContact O-N 3.13Å; D501-L503 VanDerWaalsContact C-N 3.32Å; D501-L503 PolarHBondContact O-N 2.81Å
502F55.9Low45.8Very low175 Ų175133.5 Ų133.577%0.76876%0.759SS**G310 helixtrans-86.312.4-176.2-67.6-74.4000115.3L500L500-F502 PolarHBondContact O-N 2.78Å; L500-F502 VanDerWaalsContact O-N 3.13Å
503L51.3Low45.5Very low156 Ų156134.6 Ų134.682%0.81777%0.767SS**G310 helixtrans-103.314.5178.6-63.3178.3000114.2L500 D501L500-L503 PolarHBondContact O-N 2.83Å; D501-L503 VanDerWaalsContact C-N 3.32Å; D501-L503 PolarHBondContact O-N 2.81Å
504G45.2Very low45.7Very low55 Ų55137.5 Ų137.557%0.56778%0.777SS**SBendtrans-82.7134.4169.300000113G506G504-G506 PolarHBondContact O-N 3.16Å
505P39.6Very low45.6Very low142 Ų142134.3 Ų134.392%0.92277%0.774SS**THydrogen-bonded Turntrans-77.1105.8-179.430.3-33.8000111.8
506G50.2Low45.9Very low76 Ų76134.9 Ų134.978%0.78478%0.778SS**THydrogen-bonded Turntrans163.7-5.6169.600000119.6G504G504-G506 PolarHBondContact O-N 3.16Å
507M43Very low45.5Very low183 Ų183137 Ų13790%0.90178%0.784SS**  trans-112.6141.3-173.7-66.5-176.170.500113.8
508Q51.2Low45.9Very low186 Ų186136.7 Ų136.787%0.86978%0.783SS**PPolyproline II helixtrans-89.8144-178.7-64.1-179-4.500111.8
509P54.5Low45.9Very low116 Ų116137.2 Ų137.275%0.75379%0.792SS**PPolyproline II helixtrans-73.7144.2172.730.7-34.4000111.9
510P40.9Very low45.8Very low129 Ų129141.7 Ų141.784%0.83881%0.81SS**PPolyproline II helixtrans-71.5151.417829.7-34.8000112.6
511K36.8Very low45.5Very low201 Ų201143.2 Ų143.287%0.87481%0.813SS**PPolyproline II helixtrans-77.8142.7-179.3-62.7173.1-177.1172.40111.5
512P44Very low44.9Very low129 Ų129145.8 Ų145.884%0.83882%0.82SS**PPolyproline II helixtrans-68.5134.8172.428.8-34.1000111.4
513S37.4Very low43.7Very low116 Ų116140.5 Ų140.581%0.81182%0.815SS**PPolyproline II helixtrans-84.7144-178.651.60000113.2
514Q37.1Very low43Very low183 Ų183141.7 Ų141.786%0.85582%0.816SS**PPolyproline II helixtrans-70.9151173.4-70.2179.5-26.300112.3
515P41Very low42.3Very low132 Ų132147.6 Ų147.686%0.85783%0.829SS**PPolyproline II helixtrans-72.5140.1175.630.6-35000111.9
516S49.4Very low42.7Very low98 Ų98146 Ų14669%0.68582%0.818SS**PPolyproline II helixtrans-98154.1-17856.90000113.7N518S516-N518 PolarHBondContact O-N 2.95Å
517L41.2Very low41.9Very low160 Ų160146.8 Ų146.884%0.83882%0.818SS**THydrogen-bonded Turntrans-81.567.9-164.9-158.6165.2000112.3
518N49.4Very low42.2Very low140 Ų140143.2 Ų143.275%0.74981%0.808SS**THydrogen-bonded Turntrans-137.4-7.1177-93.2-27.2000115.5S516S516-N518 PolarHBondContact O-N 2.95Å
519T51Low41.5Very low144 Ų144141.1 Ų141.188%0.88380%0.803SS**THydrogen-bonded Turntrans-88.54.2-178.648.50000114.8
520L42.3Very low40.7Very low165 Ų165142.9 Ų142.986%0.86480%0.803SS**THydrogen-bonded Turntrans-101.312.8-176.8-156.371.8000113.7
521Q45Very low40.6Very low176 Ų176143.5 Ų143.582%0.82280%0.798SS**SBendtrans-131.253.9-168.9-162.2159.796.200114.7
522Q37.1Very low40.5Very low199 Ų199139 Ų13993%0.9379%0.788SS**  trans-155.2148.6155.8-107.5166.346.300108.4
523G31.1Very low40.4Very low64 Ų64140.2 Ų140.266%0.6678%0.782SS**  trans-171.2161.4-178.800000117
524H35.9Very low40.3Very low182 Ų182138 Ų13884%0.84378%0.778SS**  trans56.6112.2163.5-55.395.9000119.5
525Q31.2Very low40.1Very low179 Ų179138 Ų13884%0.83678%0.776SS**  -165161.7104.5-85.6-45.5-54.600110.3
526P47.9Very low39.7Very low107 Ų107137 Ų13770%0.69577%0.771SS**  trans-129.6-176.6-163.345.1-33000117.7
527A31.9Very low38.9Very low93 Ų93137.2 Ų137.277%0.76977%0.773SS**  trans80.9163.1157.700000117.4
528P50.4Low38.5Very low108 Ų108138.4 Ų138.470%0.70178%0.776SS**  cis-139.9169.110.443.6-26.3000119.4
529N34.9Very low37.7Very low143 Ų143138.4 Ų138.477%0.76578%0.776SS**  trans68.6140.1143.2-86.54.9000120.9
530M37.8Very low37Very low153 Ų153139.9 Ų139.975%0.75478%0.778SS**  cis-143.8-166.86.2-51.1-178.4178.800110.2
531L39.8Very low36.3Very low141 Ų141135.1 Ų135.174%0.73877%0.768SS**  cis-159.7175.8-4.8-154.663.4000110
532T35.2Very low37Very low106 Ų106132.4 Ų132.465%0.6577%0.766SS**  trans24.4127.7144.7-740000120.9
533Q40.8Very low36.9Very low155 Ų155129.4 Ų129.472%0.72476%0.762SS**  cis-161-175.7-7.1-107.5-166.953.700106.7
534G35.7Very low37.6Very low69 Ų69131.5 Ų131.571%0.71176%0.763SS**  cis171.2178.25.900000107.1
535F33.2Very low37.4Very low185 Ų185129.4 Ų129.481%0.81176%0.763SS**  cis-137159-1.4-142.6-89.3000108.3
536S33.3Very low37.4Very low110 Ų110130.5 Ų130.577%0.76976%0.76SS**  trans-66.8166.3-174.5-43.70000113.8
537S31.3Very low37.9Very low102 Ų102129.9 Ų129.971%0.71376%0.756SS**  cis-162.8175.229.155.80000109.3
538M33.5Very low38.8Very low186 Ų186130.9 Ų130.992%0.91675%0.754SS**  cis-144171.731.4-62.2178.8174.100112.9
539N33.3Very low37.9Very low139 Ų139129.9 Ų129.974%0.74376%0.755SS**  trans-142.1138.9-174.6159.180.2000112.9
540L35.3Very low37.9Very low176 Ų176130.9 Ų130.992%0.92176%0.76SS**  trans-142.3139.2154.3-78.3178.8000109
541G28.8Very low37.6Very low64 Ų64127.7 Ų127.766%0.6676%0.759SS**  trans-115-179.6-162.900000117.3
542P58.3Low37.2Very low120 Ų120129.9 Ų129.978%0.77977%0.767SS**  trans-111.7-174.7-169.742.1-34000114.5
543T34.7Very low37.2Very low136 Ų136133.9 Ų133.983%0.83478%0.781SS**  trans156.6-179.1143.948.70000111.7
544P47.1Very low37Very low107 Ų107134.6 Ų134.670%0.69578%0.784SS**  -139.4-170.2-80.444.4-26.1000116.5
545V31.9Very low37.9Very low138 Ų138136.7 Ų136.784%0.83679%0.785SS**  trans73.2161.4155.3152.30000119.1
546R30Very low37.7Very low203 Ų203131.6 Ų131.677%0.76679%0.785SS**  -170.5161.1-54.6-128.3-148.662.5-178.5-3.8111.7
547P58.4Low37.9Very low94 Ų94131.6 Ų131.661%0.6179%0.792SS**  trans-108.5169.9-177.141.9-35.4000115
548P50.7Low38Very low114 Ų114130.3 Ų130.374%0.7479%0.794SS**  -160.6166.68943.4-23.1000121.1
549A32.8Very low38.2Very low87 Ų87131.2 Ų131.272%0.71980%0.799SS**  trans64.3135.6139.300000127.7
550N35Very low38.3Very low163 Ų163128.1 Ų128.187%0.87280%0.8SS**  trans64.1154.3143.2-77.519.2000122.3
551A30.7Very low38.5Very low87 Ų87129.5 Ų129.572%0.71980%0.804SS**  cis-164.8159.2-10.800000115.1
552M32.5Very low38.7Very low186 Ų186130.4 Ų130.492%0.91681%0.813SS**  trans53.3122139.4-170.6171.9-178.800124.4
553M34Very low37.7Very low190 Ų190134.1 Ų134.194%0.93682%0.822SS**  trans-158.7166144-146.8163.1179.700112.9
554Q37.4Very low37.6Very low171 Ų171131 Ų13180%0.79982%0.818SS**  trans-143.9-172.3-172.3-131-161.65.100109
555P53.3Low36.9Very low113 Ų113134.7 Ų134.773%0.73483%0.828SS**  cis-136.9-176.9-20.539.7-21.6000115.9
556G29.4Very low37.2Very low78 Ų78134.1 Ų134.180%0.80482%0.824SS**  trans115.7145.8156.200000116.6
557A38.5Very low38.3Very low110 Ų110130.6 Ų130.691%0.90983%0.828SS**  cis-161.9163.2-600000112.3
558G33.3Very low37.3Very low75 Ų75133.2 Ų133.277%0.77384%0.836SS**  trans90.6119.1169.200000115.4
559M37.6Very low36.7Very low205 Ų205137.1 Ų137.1100%1.0185%0.845SS**  cis81.2121.437.3-157.2173.7-168.900112.6
560G34.3Very low36.7Very low74 Ų74135.9 Ų135.976%0.76384%0.841SS**  cis-169.4-151.63.700000115.2
561M40.2Very low36.8Very low205 Ų205136.4 Ų136.4100%1.0184%0.84SS**  trans-43.9152.6-169.6-65.8169.2161.400119.5
562G34Very low37.2Very low82 Ų82140.7 Ų140.785%0.84585%0.847SS**  trans-164.1143.7162.100000112.5
563M37.3Very low37.4Very low199 Ų199135.6 Ų135.698%0.9884%0.842SS**  trans-134.3144.5-168.1178.972.7164.100112.4
564G30.8Very low37.7Very low71 Ų71135.3 Ų135.373%0.73284%0.841SS**  trans80.9177.2171.700000115.5
565M32.2Very low37.7Very low184 Ų184130.9 Ų130.991%0.90684%0.841SS**  cis-169.5159.1-20.8-179.7164169.700107.4
566V39.4Very low37.2Very low126 Ų126134 Ų13476%0.76485%0.848SS**  trans-67.8155.6175.8-141.20000111.6
567P52.4Low37.6Very low129 Ų129138.1 Ų138.184%0.83885%0.852SS**  -147.8-178.4104.739.7-24.1000115.8
568N37.4Very low37.7Very low149 Ų149141.3 Ų141.380%0.79785%0.85SS**  trans-122.7137.5-179147.794.8000111.5
569Q37.4Very low37.6Very low195 Ų195141.3 Ų141.391%0.91185%0.85SS**  trans-169.3158.1164.3-106.6177.18.100108.6
570G34.2Very low37.8Very low62 Ų62139.6 Ų139.664%0.63984%0.841SS**  cis148.4147.7-400000112
571M36.2Very low38.7Very low174 Ų174142.6 Ų142.686%0.85785%0.847SS**  trans73.6153.3-179.3-57.1164.756.400115.3
572M39Very low38.7Very low176 Ų176141.4 Ų141.487%0.86784%0.839SS**  cis-153.9154.3-3.2-134.1174.4-178.100110
573G37Very low38.9Very low79 Ų79141.3 Ų141.381%0.81484%0.839SS**  trans174131.1171.300000113.8
574M40.7Very low38.6Very low185 Ų185135.5 Ų135.591%0.91183%0.83SS**  trans-125.2143-170.1-169.8163.817700111.1
575G36.7Very low39.1Very low77 Ų77141 Ų14179%0.79484%0.839SS**  trans-179.592.317900000115.1
576M42.3Very low39.2Very low179 Ų179138.6 Ų138.688%0.88283%0.834SS**  trans-75.4144.3158-8987.6161.400110.1
577N38.3Very low39.3Very low165 Ų165141 Ų14188%0.88284%0.84SS**  trans-149.7155.3134.2-159.618.7000112.2
578M40Very low38.3Very low176 Ų176138.6 Ų138.687%0.86784%0.838SS**  trans-115.2145.1-177.4-173.882155.200108.8
579G33Very low38.4Very low75 Ų75140.2 Ų140.277%0.77384%0.843SS**  trans178.888.5177.600000117.8
580M41.6Very low39.1Very low170 Ų170136.3 Ų136.384%0.83783%0.834SS**  trans-85.8158144.5-69.1170.46100108.3
581P52.4Low39.1Very low136 Ų136137.2 Ų137.288%0.88384%0.844SS**  -146-163.195.539.6-22.3000114.7
582Q40.3Very low39.1Very low180 Ų180132.4 Ų132.484%0.84184%0.839SS**  trans-134.6143.5-148.5158.4-165.4-7.300112.3
583G37.7Very low39Very low81 Ų81133.9 Ų133.984%0.83585%0.846SS**  trans93.5150.6142.100000120
584G32.1Very low38.9Very low77 Ų77133.1 Ų133.179%0.79484%0.838SS**  trans172.1142.8172.600000111.8
585M40Very low38.8Very low186 Ų186133.8 Ų133.892%0.91684%0.841SS**  trans-149.1170.8-174.8-74.6-178.9166.600111.8
586T34.6Very low38.8Very low133 Ų133133.6 Ų133.682%0.81684%0.839SS**  trans78.1158.4164.7-118.70000115.9
587M42.1Very low38.6Very low178 Ų178134.1 Ų134.188%0.87784%0.842SS**  cis179140.9-32.8171.6-175-67.900107.4
588G32.1Very low38.4Very low77 Ų77129.3 Ų129.379%0.79483%0.831SS**  trans170.9129.2169.200000118.8
589M37.9Very low38.2Very low183 Ų183129.9 Ų129.990%0.90183%0.834SS**  trans-116.3-169.8160.4-116.1177.971.600107.1
590P52.3Low38.4Very low114 Ų114133.7 Ų133.774%0.7483%0.831SS**  cis-141.8-178943.8-25.1000117.6
591G35.2Very low39Very low81 Ų81131.4 Ų131.484%0.83583%0.829SS**  trans86.4157.6149.200000118.6
592G35.1Very low38.3Very low73 Ų73128.5 Ų128.575%0.75382%0.817SS**  cis167.4159.3-800000113.6
593M38.3Very low38.2Very low207 Ų207128.9 Ų128.9100%1.0282%0.821SS**  trans68.1156.5179.6-62.8174.7152.200117.1
594G34.3Very low38.3Very low62 Ų62131 Ų13164%0.63982%0.817SS**  cis159.1147.5-9.400000114.2
595M39Very low38.5Very low200 Ų200135.5 Ų135.599%0.98582%0.818SS**  trans64.1157.7-176.6-78.466.917300115.5
596G36.4Very low38.5Very low73 Ų73135.6 Ų135.675%0.75382%0.816SS**  cis129.8148700000110.2
597M38.2Very low39.6Very low190 Ų190134.1 Ų134.194%0.93681%0.809SS**  cis-170.6150.38.5176.667.6165.400110.7
598G32.9Very low39.4Very low64 Ų64135 Ų13566%0.6681%0.808SS**  trans88.4162.3162.900000117.7
599M36.4Very low39.7Very low187 Ų187139.7 Ų139.792%0.92181%0.809SS**  cis-156.9154.7-6-16470.498.300111.2
600H37.5Very low40Very low155 Ų155138.6 Ų138.672%0.71881%0.806SS**  trans-76.6168.3175.1-129-130.4000112.3
601P54.1Low39.3Very low123 Ų123137.7 Ų137.780%0.79981%0.808SS**  -132.3-165.563.338.1-21.4000114.2
602A37.5Very low39.3Very low75 Ų75143.3 Ų143.362%0.6281%0.81SS**  trans-147.1-159.217600000111.6
603M39Very low39.6Very low187 Ų187143.7 Ų143.792%0.92181%0.806SS**  trans109.3142.8177.9-64.9-165.5-174.700115.6
604V40Very low39.6Very low127 Ų127140.3 Ų140.377%0.7779%0.793SS**  cis-169.8160.7-24.4120.10000108.9
605Q36.2Very low40.1Very low171 Ų171147 Ų14780%0.79980%0.804SS**  trans141.378.1138.1-161.412865.500118.9
606Q39.3Very low40.1Very low187 Ų187140.1 Ų140.187%0.87479%0.785SS**  trans45162.4131.5-78.5-156.4-40.200126.2
607P57.7Low40.2Very low103 Ų103143.9 Ų143.967%0.66979%0.788SS**  trans-130.7-171.5-153.146.2-30.9000116.6
608K38.6Very low40.6Very low196 Ų196145.3 Ų145.385%0.85279%0.789SS**  trans177.9160.2157.2-97.7152.1-178.9179.90109.9
609H38.2Very low40.9Very low176 Ų176145.2 Ų145.282%0.81579%0.788SS**  cis-171.6145.6-36.7-136.1-79.4000108.9
610D43.9Very low41.1Very low159 Ų159150 Ų15085%0.8580%0.804SS**  trans-83.1146.1177.1-77.8-81.8000115
611A38.3Very low41.2Very low95 Ų95149.8 Ų149.879%0.78581%0.808SS**  trans-179159.8157.500000111.4
612F34.8Very low40.6Very low199 Ų199151.2 Ų151.287%0.87381%0.808SS**  cis-171.7140-41.4-147.3-101.1000108.4
613A41.6Very low40.7Very low82 Ų82155.4 Ų155.468%0.67882%0.819SS**  trans63.1164.3158.900000123.4
614D37.1Very low40.8Very low136 Ų136153.5 Ų153.573%0.72781%0.813SS**  trans58.1124.8165.7-94.9-49.9000119.6
615F44.5Very low40.9Very low201 Ų201155.2 Ų155.288%0.88282%0.816SS**  -151.815657.1-115.7-91.6000113.5
616G39.7Very low41.2Very low56 Ų56154.1 Ų154.158%0.57782%0.817SS**  trans-110.7161.3172.600000115
617N39.1Very low41.3Very low152 Ų152151.8 Ų151.881%0.81381%0.813SS**  trans55.5104.7155.7-170.323.7000119.5
618F46.1Very low40.1Very low220 Ų220155.5 Ų155.597%0.96582%0.824SS**  trans-139.8124.7143.6-100.6-80.9000109.5
619G40.3Very low40.2Very low62 Ų62152.2 Ų152.264%0.63982%0.821SS**  trans-109.4151.417600000112.8
620K38.8Very low40.4Very low288 Ų288150 Ų150100%1.25282%0.822SS**  trans-160.40157.5-118.8-179.9-178-178.50110.4

Retrieved 620 of 620 residues in 224.8 ms (Link to these results)

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