A0A096NPD3_PAPAN Loading...

Protein SHQ1 homolog

Required for the quantitative accumulation of H/ACA ribonucleoproteins (RNPs), including telomerase, probably through the stabilization of DKC1, from the time of its synthesis until its association with NOP10, NHP2, and NAF1 at the nascent H/ACA RNA.

AlphaFold DB , UniProt , Accession A0A096NPD3, Species PAPAN (Papio anubis, Olive baboon), Gene SHQ1, Length 577 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
1M63Low81.7Confident132 Ų13254.7 Ų54.765%0.6530%0.3SS*.  0152.80-62.8177.3-175.500107.3Y41 P44 F46 I129M1-Y41 HydrophobicContact CE-CE2 3.79Å; M1-Y41 HydrophobicContact SD-CD2 4.41Å; M1-Y41 HydrophobicContact SD-CE2 4.02Å; M1-P44 CarbonylContact C-O 3.58Å; M1-P44 WeakPolarHBondContact CA-O 3.32Å; M1-P44 WeakPolarHBondContact CB-O 3.4Å; M1-F46 HydrophobicContact CB-CB 3.94Å; M1-F46 HydrophobicContact CG-CB 4.4Å; M1-F46 HydrophobicContact SD-CB 3.74Å; M1-F46 HydrophobicContact SD-CG 4.15Å; M1-I129 HydrophobicContact CE-CD1 4.18Å; M1-I129 HydrophobicContact SD-CD1 3.93Å
2L69.4Low81.9Confident101 Ų10157.3 Ų57.353%0.52932%0.321SS..BIsolated β-bridgetrans-106.3136.9180-64.9172.8000110.1P4 P44 Y45 F46L2-P4 WeakPolarHBondContact O-CD 3.27Å; L2-P44 HydrophobicContact CD1-CG 4.31Å; L2-P44 PolarHBondContact N-O 3.45Å; L2-Y45 HydrophobicContact CB-CD1 3.88Å; L2-Y45 HydrophobicContact CB-CE1 4.25Å; L2-Y45 HydrophobicContact CD1-CE1 4.35Å; L2-Y45 CarbonylContact O-C 3.5Å; L2-Y45 WeakPolarHBondContact O-CA 3.49Å; L2-F46 PolarHBondContact O-N 3.4Å
3T79Confident82.1Confident14 Ų1459.4 Ų59.49%0.08633%0.331CS..PPolyproline II helixtrans-71.5118.9164.5-440000107.5L47 L95 T132T3-L47 HydrophobicContact CG2-CD1 3.88Å; T3-L95 HydrophobicContact CG2-CD2 4.17Å; T3-T132 WeakPolarHBondContact CB-O 3.37Å; T3-T132 PolarHBondContact OG1-O 3.4Å
4P82.1Confident82.5Confident0 Ų058.2 Ų58.20%032%0.321CS..PPolyproline II helixtrans-70.5160.1174.831-34.5000110.7L2 F6 I19 R20 V21 Y45 L47L2-P4 WeakPolarHBondContact O-CD 3.27Å; P4-F6 WeakPolarHBondContact O-CD1 3.3Å; P4-I19 HydrophobicContact CB-CG2 3.64Å; P4-I19 HydrophobicContact CG-CG2 3.38Å; P4-R20 WeakPolarHBondContact CB-O 3.43Å; P4-V21 HydrophobicContact CB-CG1 3.71Å; P4-V21 HydrophobicContact CG-CG1 4.39Å; P4-Y45 HydrophobicContact CB-CD1 3.85Å; P4-Y45 HydrophobicContact CB-CE1 4.46Å; P4-Y45 HydrophobicContact CB-CG 4.35Å; P4-L47 HydrophobicContact CG-CB 3.92Å; P4-L47 HydrophobicContact CG-CD2 4.31Å; P4-L47 HydrophobicContact CG-CG 4.49Å
5A82.6Confident82.9Confident25 Ų2554.3 Ų54.321%0.20730%0.3CS..EExtended strand (participates in β ladder)trans-69.3138.4163.600000109R20 Y134A5-R20 HydrophobicContact CB-CB 4.24Å; A5-R20 PolarHBondContact O-N 2.77Å; A5-Y134 HydrophobicContact CB-CD1 3.68Å; A5-Y134 HydrophobicContact CB-CD2 4.45Å; A5-Y134 HydrophobicContact CB-CE1 3.9Å; A5-Y134 HydrophobicContact CB-CG 3.96Å
6F86.8Confident83.3Confident18 Ų1852.1 Ų52.18%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-148.1149.6-176.269.4-83.8000111.9P4 L8 A18 I19 L47 L49 L91 L95P4-F6 WeakPolarHBondContact O-CD1 3.3Å; F6-L8 HydrophobicContact CD2-CD1 3.5Å; F6-L8 HydrophobicContact CE2-CD1 3.56Å; F6-A18 CarbonylContact C-O 3.55Å; F6-A18 WeakPolarHBondContact CA-O 3.47Å; F6-A18 WeakPolarHBondContact CB-O 3.28Å; F6-I19 HydrophobicContact CB-CG1 4.44Å; F6-L47 HydrophobicContact CB-CD2 3.78Å; F6-L47 HydrophobicContact CD1-CD1 3.56Å; F6-L47 HydrophobicContact CD1-CD2 3.99Å; F6-L47 HydrophobicContact CD1-CG 4.45Å; F6-L47 HydrophobicContact CD2-CD2 4.25Å; F6-L47 HydrophobicContact CE1-CD1 3.65Å; F6-L47 HydrophobicContact CG-CD1 4.15Å; F6-L47 HydrophobicContact CG-CD2 3.73Å; F6-L47 HydrophobicContact CZ-CD1 4.3Å; F6-L49 HydrophobicContact CD2-CD1 4.11Å; F6-L49 HydrophobicContact CD2-CD2 4.21Å; F6-L49 HydrophobicContact CE1-CD2 4.36Å; F6-L49 HydrophobicContact CE2-CD1 4.05Å; F6-L49 HydrophobicContact CE2-CD2 3.48Å; F6-L49 VanDerWaalsContact CE2-CD2 3.48Å; F6-L49 HydrophobicContact CE2-CG 4.42Å; F6-L49 HydrophobicContact CZ-CD2 3.57Å; F6-L91 HydrophobicContact CD2-CD2 4.1Å; F6-L91 HydrophobicContact CE2-CB 4.17Å; F6-L91 HydrophobicContact CE2-CD2 3.7Å; F6-L91 HydrophobicContact CE2-CG 4.45Å; F6-L91 HydrophobicContact CZ-CB 3.95Å; F6-L91 HydrophobicContact CZ-CD2 4.33Å; F6-L91 WeakPolarHBondContact O-CD1 3.45Å; F6-L95 HydrophobicContact CE1-CD2 3.96Å; F6-L95 HydrophobicContact CE1-CG 4.4Å; F6-L95 HydrophobicContact CZ-CD2 4.05Å; F6-L95 HydrophobicContact CZ-CG 4.19Å
7D86.1Confident83.7Confident111 Ų11149 Ų4959%0.59427%0.271SS*.EExtended strand (participates in β ladder)trans-130148.1176.4-75.3-57.8000109.9A18D7-A18 PolarHBondContact N-O 3.01Å; D7-A18 PolarHBondContact O-N 3.02Å
8L86.4Confident84Confident14 Ų1447.8 Ų47.87%0.07327%0.268CS..EExtended strand (participates in β ladder)trans-121.4133174.7-67.291.3000110.7F6 L15 I17 L49 L51 L88 L91 L94F6-L8 HydrophobicContact CD2-CD1 3.5Å; F6-L8 HydrophobicContact CE2-CD1 3.56Å; L8-L15 HydrophobicContact CD2-CD1 4.34Å; L8-L15 HydrophobicContact CD2-CD2 4.31Å; L8-I17 HydrophobicContact CD2-CD1 4.31Å; L8-I17 HydrophobicContact CD2-CG1 4.06Å; L8-I17 HydrophobicContact CG-CG1 4.21Å; L8-I17 HydrophobicContact CG-CG2 4.43Å; L8-L49 HydrophobicContact CD1-CD1 4.11Å; L8-L49 HydrophobicContact CD2-CD1 4.17Å; L8-L51 HydrophobicContact CD2-CD2 3.76Å; L8-L88 HydrophobicContact CB-CB 4.19Å; L8-L88 HydrophobicContact CB-CD1 4.43Å; L8-L88 HydrophobicContact CB-CD2 4.15Å; L8-L88 HydrophobicContact CB-CG 4.49Å; L8-L88 HydrophobicContact CD2-CD2 4.08Å; L8-L91 HydrophobicContact CD1-CD2 3.9Å; L8-L94 HydrophobicContact CD1-CD1 3.83Å; L8-L94 HydrophobicContact CD2-CD1 4.35Å
9S87Confident84.2Confident68 Ų6845.3 Ų45.348%0.47625%0.254SS..EExtended strand (participates in β ladder)trans-133.1162.7173.2570000109.6T16S9-T16 PolarHBondContact N-O 3.4Å; S9-T16 PolarHBondContact O-N 3.02Å; S9-T16 PolarHBondContact OG-O 2.89Å
10Q88.6Confident84.3Confident46 Ų4648.9 Ų48.922%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-145.2144.6-176.766.7-177.8-45.300113.3F14 L15 H84 F85 L88Q10-F14 WeakPolarHBondContact CA-O 3.39Å; Q10-L15 HydrophobicContact CB-CD1 4.27Å; Q10-H84 PolarHBondContact NE2-CD2 3.38Å; Q10-H84 PolarHBondContact NE2-NE2 3.39Å; Q10-F85 PolarHBondContact NE2-O 3.36Å; Q10-L88 HydrophobicContact CB-CD1 3.88Å; Q10-L88 HydrophobicContact CG-CD1 3.81Å
11D87.8Confident84.3Confident73 Ų7346.6 Ų46.639%0.3925%0.251SS..  trans-101173.4164.8-64.1-44.5000108.8D13 F14 R75 K78D11-D13 PolarHBondContact O-N 2.96Å; D11-F14 PolarHBondContact N-O 3.47Å; D11-R75 IonicContact OD2-NH2 3.17Å; D11-R75 PolarHBondContact OD2-NH2 2.9Å; D11-K78 PolarHBondContact O-NZ 3.31Å
12P84.4Confident84.9Confident85 Ų8543.1 Ų43.155%0.55224%0.239SC*.SBendtrans-55.6-35.8170.9-27.837.1000113.5G82P12-G82 PolarHBondContact O-N 2.87Å
13D83.9Confident85.2Confident85 Ų8547.2 Ų47.246%0.45525%0.248SC..SBendtrans-104.9-22.3-171.8-52.3-47.3000113.9D11 K78D11-D13 PolarHBondContact O-N 2.96Å; D13-K78 PolarHBondContact O-N 3.46Å
14F87.5Confident84.8Confident43 Ų4347.1 Ų47.119%0.18925%0.249CC..EExtended strand (participates in β ladder)trans-131.5148.6-172.5-65.5-88.5000112.8Q10 D11 L76 P77Q10-F14 WeakPolarHBondContact CA-O 3.39Å; D11-F14 PolarHBondContact N-O 3.47Å; F14-L76 CarbonylContact C-O 3.53Å; F14-L76 WeakPolarHBondContact CA-O 3.49Å; F14-P77 HydrophobicContact CD1-CB 4.08Å; F14-P77 HydrophobicContact CE1-CB 3.89Å
15L88.5Confident84.3Confident0 Ų054.9 Ų54.90%028%0.278CS..EExtended strand (participates in β ladder)trans-100.7131.7162.1-178.872.6000108.3L8 Q10 I17 L51 I55 R75 L76 F85 L88L8-L15 HydrophobicContact CD2-CD1 4.34Å; L8-L15 HydrophobicContact CD2-CD2 4.31Å; Q10-L15 HydrophobicContact CB-CD1 4.27Å; L15-I17 HydrophobicContact CD2-CD1 4.22Å; L15-I17 HydrophobicContact CD2-CG1 4.25Å; L15-I17 HydrophobicContact CG-CG1 4.3Å; L15-L51 HydrophobicContact CD2-CD1 3.59Å; L15-L51 HydrophobicContact CD2-CD2 3.76Å; L15-L51 HydrophobicContact CD2-CG 4.26Å; L15-I55 HydrophobicContact CD2-CG2 4.47Å; L15-R75 CarbonylContact O-C 3.6Å; L15-R75 WeakPolarHBondContact O-CA 3.38Å; L15-L76 PolarHBondContact N-O 2.55Å; L15-L76 PolarHBondContact O-N 3.06Å; L15-F85 HydrophobicContact CD1-CD2 4.19Å; L15-F85 HydrophobicContact CD2-CD2 4.39Å; L15-F85 HydrophobicContact CD2-CE2 4.23Å; L15-L88 HydrophobicContact CD1-CD1 3.8Å; L15-L88 HydrophobicContact CD1-CD2 3.97Å
16T89.8Confident83.4Confident18 Ų1857.2 Ų57.211%0.1129%0.29CS..EExtended strand (participates in β ladder)trans-115.4117.2178.3-58.80000109.6S9 T73 I74 R75S9-T16 PolarHBondContact N-O 3.4Å; S9-T16 PolarHBondContact O-N 3.02Å; S9-T16 PolarHBondContact OG-O 2.89Å; T16-T73 HydrophobicContact CG2-CG2 3.53Å; T16-I74 CarbonylContact C-O 3.56Å; T16-I74 WeakPolarHBondContact CA-O 3.48Å; T16-R75 HydrophobicContact CG2-CG 4.1Å
17I89.6Confident82.6Confident0 Ų061.3 Ų61.30%032%0.321CS..EExtended strand (participates in β ladder)trans-106.4119.8178.7-51.5-179.6000108.1L8 L15 I19 F38 L49 T73 I74 L76L8-I17 HydrophobicContact CD2-CD1 4.31Å; L8-I17 HydrophobicContact CD2-CG1 4.06Å; L8-I17 HydrophobicContact CG-CG1 4.21Å; L8-I17 HydrophobicContact CG-CG2 4.43Å; L15-I17 HydrophobicContact CD2-CD1 4.22Å; L15-I17 HydrophobicContact CD2-CG1 4.25Å; L15-I17 HydrophobicContact CG-CG1 4.3Å; I17-I19 HydrophobicContact CG2-CD1 4.13Å; I17-I19 HydrophobicContact CG2-CG1 3.83Å; I17-F38 HydrophobicContact CD1-CD1 3.87Å; I17-F38 HydrophobicContact CD1-CD2 3.79Å; I17-F38 HydrophobicContact CD1-CE1 3.97Å; I17-F38 HydrophobicContact CD1-CE2 3.89Å; I17-F38 HydrophobicContact CD1-CG 3.78Å; I17-F38 HydrophobicContact CD1-CZ 3.98Å; I17-F38 HydrophobicContact CG2-CE1 4.35Å; I17-L49 HydrophobicContact CD1-CD1 4.36Å; I17-L49 HydrophobicContact CG2-CD1 4.43Å; I17-T73 WeakPolarHBondContact O-CA 3.34Å; I17-I74 PolarHBondContact N-O 2.93Å; I17-I74 PolarHBondContact O-N 3.13Å; I17-L76 HydrophobicContact CD1-CD1 3.75Å; I17-L76 HydrophobicContact CG1-CD1 4.46Å
18A89.1Confident82.1Confident27 Ų2759.7 Ų59.722%0.22331%0.31CS..EExtended strand (participates in β ladder)trans-102.8129.5173.600000109.3F6 D7 I71 F72F6-A18 CarbonylContact C-O 3.55Å; F6-A18 WeakPolarHBondContact CA-O 3.47Å; F6-A18 WeakPolarHBondContact CB-O 3.28Å; D7-A18 PolarHBondContact N-O 3.01Å; D7-A18 PolarHBondContact O-N 3.02Å; A18-I71 HydrophobicContact CB-CG2 4.18Å; A18-F72 CarbonylContact C-O 3.6Å; A18-F72 WeakPolarHBondContact CA-O 3.47Å
19I88.7Confident81.9Confident0 Ų063.4 Ų63.40%033%0.325CS..EExtended strand (participates in β ladder)trans-130.6117.7-173.5-48177.8000109P4 F6 I17 V21 F38 F40 L47 I71 F72 I74P4-I19 HydrophobicContact CB-CG2 3.64Å; P4-I19 HydrophobicContact CG-CG2 3.38Å; F6-I19 HydrophobicContact CB-CG1 4.44Å; I17-I19 HydrophobicContact CG2-CD1 4.13Å; I17-I19 HydrophobicContact CG2-CG1 3.83Å; I19-V21 HydrophobicContact CG2-CG1 4.07Å; I19-F38 HydrophobicContact CD1-CE1 4.02Å; I19-F38 HydrophobicContact CD1-CZ 4.02Å; I19-F40 HydrophobicContact CD1-CB 3.87Å; I19-F40 HydrophobicContact CD1-CD1 3.94Å; I19-F40 HydrophobicContact CD1-CD2 3.76Å; I19-F40 HydrophobicContact CD1-CE1 4.44Å; I19-F40 HydrophobicContact CD1-CE2 4.29Å; I19-F40 HydrophobicContact CD1-CG 3.57Å; I19-F40 HydrophobicContact CG2-CD1 4.28Å; I19-F40 HydrophobicContact CG2-CE1 4.19Å; I19-L47 HydrophobicContact CD1-CD2 3.95Å; I19-L47 HydrophobicContact CG1-CD2 4.17Å; I19-L47 HydrophobicContact CG2-CD2 4.33Å; I19-I71 WeakPolarHBondContact O-CA 3.5Å; I19-F72 PolarHBondContact N-O 2.96Å; I19-F72 PolarHBondContact O-N 2.61Å; I19-I74 HydrophobicContact CD1-CD1 4.11Å
20R85.8Confident81.7Confident118 Ų11865.4 Ų65.445%0.44533%0.331SS..EExtended strand (participates in β ladder)trans-89.4110.4-178.2-171.9179.2-178.9-158.7-0.3110.5P4 A5 G70 I71P4-R20 WeakPolarHBondContact CB-O 3.43Å; A5-R20 HydrophobicContact CB-CB 4.24Å; A5-R20 PolarHBondContact O-N 2.77Å; R20-G70 CarbonylContact C-O 3.57Å; R20-G70 WeakPolarHBondContact CA-O 3.49Å; R20-I71 HydrophobicContact CB-CG1 4.4Å; R20-I71 HydrophobicContact CG-CG1 4.36Å
21V84.1Confident81.6Confident0 Ų065.6 Ų65.60%034%0.335CS..  trans-134.766.9-176.2-71.30000111.8P4 I19 Y23 A24 F40 Y45 G70 F72P4-V21 HydrophobicContact CB-CG1 3.71Å; P4-V21 HydrophobicContact CG-CG1 4.39Å; I19-V21 HydrophobicContact CG2-CG1 4.07Å; V21-Y23 PolarHBondContact O-N 3.36Å; V21-A24 HydrophobicContact CB-CB 3.8Å; V21-A24 HydrophobicContact CG2-CB 3.92Å; V21-A24 PolarHBondContact O-N 3.08Å; V21-A24 VanDerWaalsContact O-N 3.16Å; V21-F40 HydrophobicContact CG1-CE1 4.14Å; V21-Y45 HydrophobicContact CB-CD2 3.69Å; V21-Y45 HydrophobicContact CB-CE2 3.67Å; V21-Y45 HydrophobicContact CB-CG 4.27Å; V21-Y45 HydrophobicContact CG1-CD1 4.02Å; V21-Y45 HydrophobicContact CG1-CD2 3.46Å; V21-Y45 VanDerWaalsContact CG1-CD2 3.46Å; V21-Y45 HydrophobicContact CG1-CE1 4.37Å; V21-Y45 HydrophobicContact CG1-CE2 3.87Å; V21-Y45 HydrophobicContact CG1-CG 3.53Å; V21-G70 CarbonylContact C-O 3.59Å; V21-G70 PolarHBondContact N-O 3.43Å; V21-F72 HydrophobicContact CG2-CD2 3.35Å; V21-F72 HydrophobicContact CG2-CE2 3.8Å; V21-F72 HydrophobicContact CG2-CG 4.45Å
22P76.6Confident81.4Confident60 Ų6066.9 Ų66.939%0.3934%0.335SS..THydrogen-bonded Turntrans-62.3-19.2-173.826.4-37000114.5Y45P22-Y45 WeakPolarHBondContact CD-OH 3.46Å
23Y74Confident81.4Confident186 Ų18664.5 Ų64.573%0.72932%0.316SS*.THydrogen-bonded Turntrans-109.711.6-178.4-49.1-51.7000113.8V21 Y45V21-Y23 PolarHBondContact O-N 3.36Å; Y23-Y45 VanDerWaalsContact CD2-OH 3.24Å; Y23-Y45 WeakPolarHBondContact CD2-OH 3.47Å; Y23-Y45 PolarHBondContact N-OH 3.47Å
24A71.4Confident81.2Confident13 Ų1366.5 Ų66.511%0.10732%0.323CS..  trans-83.3147.6177.600000112.1V21 A42 Y45V21-A24 HydrophobicContact CB-CB 3.8Å; V21-A24 HydrophobicContact CG2-CB 3.92Å; V21-A24 PolarHBondContact O-N 3.08Å; V21-A24 VanDerWaalsContact O-N 3.16Å; A24-A42 HydrophobicContact CB-CB 4.07Å; A24-Y45 HydrophobicContact CB-CD2 4.13Å; A24-Y45 HydrophobicContact CB-CE2 4.21Å
25R71.4Confident81Confident162 Ų16265.5 Ų65.561%0.61132%0.324SS*.  trans-84.2122.8168.5-67.4177179.1-177.8-1.7109.5S27 E28R25-S27 PolarHBondContact O-N 3.09Å; R25-E28 HydrophobicContact CB-CB 4.32Å; R25-E28 WeakPolarHBondContact CD-OE1 3.41Å; R25-E28 IonicContact CZ-OE1 3.03Å; R25-E28 IonicContact NE-OE1 3.7Å; R25-E28 IonicContact NH1-OE1 3.64Å; R25-E28 PolarHBondContact NH1-OE1 2.94Å; R25-E28 PolarHBondContact O-N 3.37Å
26V64.6Low80.7Confident75 Ų7567.7 Ų67.746%0.45534%0.34SS..THydrogen-bonded Turntrans-60.4-18.6179.8-159.60000113.1F29 Y65 F72V26-F29 WeakPolarHBondContact O-CD1 3.37Å; V26-Y65 HydrophobicContact CB-CD1 4.39Å; V26-Y65 HydrophobicContact CB-CE1 4.41Å; V26-Y65 HydrophobicContact CG1-CD1 3.69Å; V26-Y65 HydrophobicContact CG1-CE1 4.2Å; V26-Y65 HydrophobicContact CG1-CG 4.17Å; V26-Y65 HydrophobicContact CG2-CD1 3.7Å; V26-Y65 HydrophobicContact CG2-CE1 3.29Å; V26-F72 HydrophobicContact CG1-CZ 4.32Å
27S69.8Low80.4Confident103 Ų10368.7 Ų68.772%0.7234%0.344SS*.THydrogen-bonded Turntrans-86.3-8.717756.90000115.1R25R25-S27 PolarHBondContact O-N 3.09Å
28E75.3Confident80.2Confident77 Ų7768.7 Ų68.736%0.3634%0.344SS..SBendtrans-131.167.1-171.5-66.5172.7-137.100109.8R25 A42R25-E28 HydrophobicContact CB-CB 4.32Å; R25-E28 WeakPolarHBondContact CD-OE1 3.41Å; R25-E28 IonicContact CZ-OE1 3.03Å; R25-E28 IonicContact NE-OE1 3.7Å; R25-E28 IonicContact NH1-OE1 3.64Å; R25-E28 PolarHBondContact NH1-OE1 2.94Å; R25-E28 PolarHBondContact O-N 3.37Å; E28-A42 WeakPolarHBondContact O-CA 3.41Å
29F81.1Confident80.1Confident93 Ų9370.6 Ų70.641%0.40835%0.347SS..EExtended strand (participates in β ladder)trans-130.9143172.578-88.4000112.3V26 V31 Y41 A42 F72V26-F29 WeakPolarHBondContact O-CD1 3.37Å; F29-V31 HydrophobicContact CD2-CG2 3.86Å; F29-V31 HydrophobicContact CE2-CG2 4.06Å; F29-Y41 CarbonylContact C-O 3.6Å; F29-Y41 VanDerWaalsContact CA-O 3.24Å; F29-Y41 WeakPolarHBondContact CA-O 3.29Å; F29-A42 HydrophobicContact CB-CB 3.9Å; F29-F72 HydrophobicContact CB-CE1 4.49Å; F29-F72 HydrophobicContact CB-CZ 4.42Å; F29-F72 AromaticContact CD1-CE1 3.76Å; F29-F72 HydrophobicContact CD1-CE1 3.76Å; F29-F72 AromaticContact CD1-CZ 3.92Å; F29-F72 HydrophobicContact CD1-CZ 3.92Å; F29-F72 HydrophobicContact CD2-CE1 4.16Å; F29-F72 AromaticContact CE1-CE1 3.95Å; F29-F72 HydrophobicContact CE1-CE1 3.95Å; F29-F72 HydrophobicContact CE1-CZ 4.43Å; F29-F72 HydrophobicContact CE2-CE1 4.34Å; F29-F72 AromaticContact CG-CE1 3.87Å; F29-F72 HydrophobicContact CG-CE1 3.87Å; F29-F72 HydrophobicContact CG-CZ 4.16Å; F29-F72 HydrophobicContact CZ-CE1 4.24Å
30D84.3Confident80.1Confident110 Ų11070.6 Ų70.659%0.58835%0.348SS*.EExtended strand (participates in β ladder)trans-126.3137.9173.6-63.1-65.3000109.4Y41D30-Y41 PolarHBondContact N-O 2.81Å; D30-Y41 PolarHBondContact O-N 2.88Å
31V85.3Confident79.9Confident49 Ų4968.8 Ų68.830%0.29734%0.341SS..EExtended strand (participates in β ladder)trans-127.3131.9174.9-163.30000108.3F29 F33 F38 K39 F40 I74F29-V31 HydrophobicContact CD2-CG2 3.86Å; F29-V31 HydrophobicContact CE2-CG2 4.06Å; V31-F33 HydrophobicContact CG1-CD1 4.15Å; V31-F38 HydrophobicContact CG1-CD2 4.45Å; V31-F38 HydrophobicContact CG1-CE2 3.58Å; V31-F38 HydrophobicContact CG1-CZ 4.05Å; V31-K39 WeakPolarHBondContact CA-O 3.5Å; V31-F40 HydrophobicContact CG2-CD2 4Å; V31-F40 HydrophobicContact CG2-CE2 4.46Å; V31-I74 HydrophobicContact CG1-CD1 4.06Å; V31-I74 HydrophobicContact CG2-CD1 4Å
32Y84.9Confident79.8Confident101 Ų10168.8 Ų68.840%0.39634%0.341SS..EExtended strand (participates in β ladder)trans-134.2138.1174.4164.1-86.4000108.9E34 K39Y32-E34 HydrophobicContact CE1-CB 4.22Å; Y32-E34 HydrophobicContact CE2-CB 4.35Å; Y32-E34 WeakPolarHBondContact OH-CB 3.19Å; Y32-E34 PolarHBondContact OH-OE2 2.76Å; Y32-K39 HydrophobicContact CD1-CB 4.18Å; Y32-K39 HydrophobicContact CD1-CD 3.67Å; Y32-K39 HydrophobicContact CD1-CG 4.08Å; Y32-K39 HydrophobicContact CE1-CD 4.09Å; Y32-K39 PolarHBondContact N-O 3.19Å; Y32-K39 PolarHBondContact O-N 3.4Å; Y32-K39 VanDerWaalsContact O-O 3.13Å
33F84.6Confident79.8Confident35 Ų3572.1 Ų72.115%0.15435%0.35CS..EExtended strand (participates in β ladder)trans-148.7137.3177.547.9-88.6000109.4V31 D37 F38 I55 E57 E61 L76V31-F33 HydrophobicContact CG1-CD1 4.15Å; F33-D37 CarbonylContact C-O 3.53Å; F33-D37 WeakPolarHBondContact CA-O 3.38Å; F33-F38 HydrophobicContact CB-CD2 4.2Å; F33-I55 HydrophobicContact CB-CD1 3.66Å; F33-I55 HydrophobicContact CD2-CD1 4.43Å; F33-I55 HydrophobicContact CG-CD1 4.3Å; F33-E57 HydrophobicContact CE2-CB 3.98Å; F33-E57 HydrophobicContact CE2-CG 4.04Å; F33-E57 HydrophobicContact CZ-CG 4.37Å; F33-E61 VanDerWaalsContact CE2-CD 3.5Å; F33-E61 WeakPolarHBondContact CE2-OE1 3.44Å; F33-E61 WeakPolarHBondContact CE2-OE2 3.19Å; F33-E61 VanDerWaalsContact CZ-OE1 3.26Å; F33-E61 WeakPolarHBondContact CZ-OE1 3.41Å; F33-E61 WeakPolarHBondContact CZ-OE2 3.37Å; F33-L76 HydrophobicContact CD1-CD2 3.78Å; F33-L76 HydrophobicContact CD2-CD2 4.37Å; F33-L76 HydrophobicContact CE1-CD2 4.02Å; F33-L76 HydrophobicContact CG-CD2 4Å; F33-L76 HydrophobicContact CZ-CD2 4.43Å
34E78.4Confident79.9Confident127 Ų12765.9 Ų65.959%0.59333%0.332SS*.EExtended strand (participates in β ladder)trans-154.6121.2179.2-167178.5159.300109.9Y32 S36 D37Y32-E34 HydrophobicContact CE1-CB 4.22Å; Y32-E34 HydrophobicContact CE2-CB 4.35Å; Y32-E34 WeakPolarHBondContact OH-CB 3.19Å; Y32-E34 PolarHBondContact OH-OE2 2.76Å; E34-S36 PolarHBondContact O-N 3.37Å; E34-D37 PolarHBondContact N-O 2.89Å; E34-D37 PolarHBondContact O-N 3.46Å
35G83.4Confident80.3Confident22 Ų2265.8 Ų65.823%0.22733%0.329CS..EExtended strand (participates in β ladder)trans62.3-105.2-179.700000112R54 I55G35-R54 CarbonylContact O-C 3.37Å; G35-R54 VanDerWaalsContact O-CA 3.29Å; G35-R54 WeakPolarHBondContact O-CA 3.35Å; G35-I55 VanDerWaalsContact O-CG1 3.26Å; G35-I55 WeakPolarHBondContact O-CG1 3.18Å; G35-I55 PolarHBondContact O-N 3.03Å
36S83.1Confident80.8Confident46 Ų4660.2 Ų60.232%0.32231%0.309SS..EExtended strand (participates in β ladder)trans-100.4-11.117653.30000113.9E34 L51E34-S36 PolarHBondContact O-N 3.37Å; S36-L51 WeakPolarHBondContact O-CB 3.25Å; S36-L51 PolarHBondContact O-N 3.38Å
37D82.9Confident81.7Confident38 Ų3856.6 Ų56.620%0.20329%0.287CS..EExtended strand (participates in β ladder)trans-91.4134.9-174.1-87.215.6000110.9F33 E34F33-D37 CarbonylContact C-O 3.53Å; F33-D37 WeakPolarHBondContact CA-O 3.38Å; E34-D37 PolarHBondContact N-O 2.89Å; E34-D37 PolarHBondContact O-N 3.46Å
38F86.4Confident82.4Confident0 Ų054.6 Ų54.60%026%0.264CS..EExtended strand (participates in β ladder)trans-125.5135.1170.3171.8-92.3000109.5I17 I19 V31 F33 F40 L47 R48 L49 L51 I74 L76I17-F38 HydrophobicContact CD1-CD1 3.87Å; I17-F38 HydrophobicContact CD1-CD2 3.79Å; I17-F38 HydrophobicContact CD1-CE1 3.97Å; I17-F38 HydrophobicContact CD1-CE2 3.89Å; I17-F38 HydrophobicContact CD1-CG 3.78Å; I17-F38 HydrophobicContact CD1-CZ 3.98Å; I17-F38 HydrophobicContact CG2-CE1 4.35Å; I19-F38 HydrophobicContact CD1-CE1 4.02Å; I19-F38 HydrophobicContact CD1-CZ 4.02Å; V31-F38 HydrophobicContact CG1-CD2 4.45Å; V31-F38 HydrophobicContact CG1-CE2 3.58Å; V31-F38 HydrophobicContact CG1-CZ 4.05Å; F33-F38 HydrophobicContact CB-CD2 4.2Å; F38-F40 HydrophobicContact CE1-CB 3.79Å; F38-F40 HydrophobicContact CZ-CB 3.89Å; F38-L47 HydrophobicContact CE1-CD2 4.47Å; F38-R48 CarbonylContact O-C 3.51Å; F38-R48 VanDerWaalsContact O-CA 3.29Å; F38-R48 WeakPolarHBondContact O-CA 3.21Å; F38-L49 HydrophobicContact CB-CB 4.34Å; F38-L49 HydrophobicContact CD1-CB 4.36Å; F38-L49 HydrophobicContact CD1-CD1 4Å; F38-L49 HydrophobicContact CD1-CG 4.21Å; F38-L49 PolarHBondContact N-O 3.25Å; F38-L49 PolarHBondContact O-N 3.18Å; F38-L51 HydrophobicContact CB-CD1 4.26Å; F38-I74 HydrophobicContact CE2-CD1 4.26Å; F38-I74 HydrophobicContact CE2-CG2 4.4Å; F38-I74 HydrophobicContact CZ-CD1 3.86Å; F38-L76 HydrophobicContact CD2-CD1 3.56Å; F38-L76 HydrophobicContact CE2-CD1 3.86Å
39K87.1Confident82.7Confident67 Ų6750.9 Ų50.929%0.29125%0.247SC..EExtended strand (participates in β ladder)trans-135131.5179.5-61.2174.6-164.5156.10109V31 Y32 L47 R48V31-K39 WeakPolarHBondContact CA-O 3.5Å; Y32-K39 HydrophobicContact CD1-CB 4.18Å; Y32-K39 HydrophobicContact CD1-CD 3.67Å; Y32-K39 HydrophobicContact CD1-CG 4.08Å; Y32-K39 HydrophobicContact CE1-CD 4.09Å; Y32-K39 PolarHBondContact N-O 3.19Å; Y32-K39 PolarHBondContact O-N 3.4Å; Y32-K39 VanDerWaalsContact O-O 3.13Å; K39-L47 WeakPolarHBondContact CA-O 3.33Å; K39-R48 HydrophobicContact CG-CG 4.16Å
40F87.3Confident82.8Confident1 Ų148.7 Ų48.70%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-130130.6176.4172.5-87.8000109.2I19 V21 V31 F38 A42 F46 L47 F72 I74I19-F40 HydrophobicContact CD1-CB 3.87Å; I19-F40 HydrophobicContact CD1-CD1 3.94Å; I19-F40 HydrophobicContact CD1-CD2 3.76Å; I19-F40 HydrophobicContact CD1-CE1 4.44Å; I19-F40 HydrophobicContact CD1-CE2 4.29Å; I19-F40 HydrophobicContact CD1-CG 3.57Å; I19-F40 HydrophobicContact CG2-CD1 4.28Å; I19-F40 HydrophobicContact CG2-CE1 4.19Å; V21-F40 HydrophobicContact CG1-CE1 4.14Å; V31-F40 HydrophobicContact CG2-CD2 4Å; V31-F40 HydrophobicContact CG2-CE2 4.46Å; F38-F40 HydrophobicContact CE1-CB 3.79Å; F38-F40 HydrophobicContact CZ-CB 3.89Å; F40-A42 HydrophobicContact CE1-CB 3.61Å; F40-A42 HydrophobicContact CZ-CB 3.58Å; F40-F46 WeakPolarHBondContact O-CA 3.47Å; F40-F46 WeakPolarHBondContact O-CD2 3.49Å; F40-L47 HydrophobicContact CB-CB 4.31Å; F40-L47 PolarHBondContact N-O 3.06Å; F40-L47 PolarHBondContact O-N 2.95Å; F40-F72 HydrophobicContact CE2-CB 4.41Å; F40-F72 HydrophobicContact CE2-CD1 4.3Å; F40-F72 HydrophobicContact CE2-CG 4.24Å; F40-F72 HydrophobicContact CZ-CD2 4.27Å; F40-F72 HydrophobicContact CZ-CG 4.23Å; F40-I74 HydrophobicContact CD2-CD1 3.78Å; F40-I74 HydrophobicContact CE2-CD1 4.18Å
41Y82.9Confident82.8Confident80 Ų8043.8 Ų43.831%0.31421%0.214SC..EExtended strand (participates in β ladder)trans-127.9127.5176.8178-102.9000109.3M1 F29 D30 F46M1-Y41 HydrophobicContact CE-CE2 3.79Å; M1-Y41 HydrophobicContact SD-CD2 4.41Å; M1-Y41 HydrophobicContact SD-CE2 4.02Å; F29-Y41 CarbonylContact C-O 3.6Å; F29-Y41 VanDerWaalsContact CA-O 3.24Å; F29-Y41 WeakPolarHBondContact CA-O 3.29Å; D30-Y41 PolarHBondContact N-O 2.81Å; D30-Y41 PolarHBondContact O-N 2.88Å; Y41-F46 HydrophobicContact CD2-CB 4.46Å; Y41-F46 HydrophobicContact CD2-CD2 4.22Å
42A81Confident82.6Confident0 Ų044.7 Ų44.70%022%0.222CC..EExtended strand (participates in β ladder)trans-155.2102.9171.400000108.1A24 E28 F29 F40 Y45A24-A42 HydrophobicContact CB-CB 4.07Å; E28-A42 WeakPolarHBondContact O-CA 3.41Å; F29-A42 HydrophobicContact CB-CB 3.9Å; F40-A42 HydrophobicContact CE1-CB 3.61Å; F40-A42 HydrophobicContact CZ-CB 3.58Å; A42-Y45 PolarHBondContact N-O 2.91Å; A42-Y45 WeakPolarHBondContact O-CA 3.3Å; A42-Y45 WeakPolarHBondContact O-CB 3.19Å; A42-Y45 WeakPolarHBondContact O-CD2 3.27Å; A42-Y45 PolarHBondContact O-N 2.86Å
43K76.8Confident82.5Confident130 Ų13040.3 Ų40.357%0.56521%0.207SC*.THydrogen-bonded Turntrans-51.9127.2-167.2-174.1177.3179.6178.20111.8
44P75.2Confident82.4Confident54 Ų5445.7 Ų45.735%0.35123%0.226SC..THydrogen-bonded Turncis-91.26.310.137.6-38.8000116.2M1 L2M1-P44 CarbonylContact C-O 3.58Å; M1-P44 WeakPolarHBondContact CA-O 3.32Å; M1-P44 WeakPolarHBondContact CB-O 3.4Å; L2-P44 HydrophobicContact CD1-CG 4.31Å; L2-P44 PolarHBondContact N-O 3.45Å
45Y80.1Confident82.8Confident11 Ų1139.9 Ų39.94%0.04320%0.199CC..EExtended strand (participates in β ladder)trans-86.8148.6-171.7-54.3-85000113.9L2 P4 V21 P22 Y23 A24 A42L2-Y45 HydrophobicContact CB-CD1 3.88Å; L2-Y45 HydrophobicContact CB-CE1 4.25Å; L2-Y45 HydrophobicContact CD1-CE1 4.35Å; L2-Y45 CarbonylContact O-C 3.5Å; L2-Y45 WeakPolarHBondContact O-CA 3.49Å; P4-Y45 HydrophobicContact CB-CD1 3.85Å; P4-Y45 HydrophobicContact CB-CE1 4.46Å; P4-Y45 HydrophobicContact CB-CG 4.35Å; V21-Y45 HydrophobicContact CB-CD2 3.69Å; V21-Y45 HydrophobicContact CB-CE2 3.67Å; V21-Y45 HydrophobicContact CB-CG 4.27Å; V21-Y45 HydrophobicContact CG1-CD1 4.02Å; V21-Y45 HydrophobicContact CG1-CD2 3.46Å; V21-Y45 VanDerWaalsContact CG1-CD2 3.46Å; V21-Y45 HydrophobicContact CG1-CE1 4.37Å; V21-Y45 HydrophobicContact CG1-CE2 3.87Å; V21-Y45 HydrophobicContact CG1-CG 3.53Å; P22-Y45 WeakPolarHBondContact CD-OH 3.46Å; Y23-Y45 VanDerWaalsContact CD2-OH 3.24Å; Y23-Y45 WeakPolarHBondContact CD2-OH 3.47Å; Y23-Y45 PolarHBondContact N-OH 3.47Å; A24-Y45 HydrophobicContact CB-CD2 4.13Å; A24-Y45 HydrophobicContact CB-CE2 4.21Å; A42-Y45 PolarHBondContact N-O 2.91Å; A42-Y45 WeakPolarHBondContact O-CA 3.3Å; A42-Y45 WeakPolarHBondContact O-CB 3.19Å; A42-Y45 WeakPolarHBondContact O-CD2 3.27Å; A42-Y45 PolarHBondContact O-N 2.86Å
46F82.6Confident82.8Confident45 Ų4540.6 Ų40.620%0.19720%0.199CC..EExtended strand (participates in β ladder)trans-147.2128.5171.6176.6-112.3000109.9M1 L2 F40 Y41 R48M1-F46 HydrophobicContact CB-CB 3.94Å; M1-F46 HydrophobicContact CG-CB 4.4Å; M1-F46 HydrophobicContact SD-CB 3.74Å; M1-F46 HydrophobicContact SD-CG 4.15Å; L2-F46 PolarHBondContact O-N 3.4Å; F40-F46 WeakPolarHBondContact O-CA 3.47Å; F40-F46 WeakPolarHBondContact O-CD2 3.49Å; Y41-F46 HydrophobicContact CD2-CB 4.46Å; Y41-F46 HydrophobicContact CD2-CD2 4.22Å; F46-R48 HydrophobicContact CE1-CB 4.38Å; F46-R48 HydrophobicContact CZ-CB 4.3Å
47L83.1Confident82.7Confident0 Ų046 Ų460%022%0.219CC..EExtended strand (participates in β ladder)trans-128.3139.6178.1-174.964.9000109.7T3 P4 F6 I19 F38 K39 F40 L49 L95T3-L47 HydrophobicContact CG2-CD1 3.88Å; P4-L47 HydrophobicContact CG-CB 3.92Å; P4-L47 HydrophobicContact CG-CD2 4.31Å; P4-L47 HydrophobicContact CG-CG 4.49Å; F6-L47 HydrophobicContact CB-CD2 3.78Å; F6-L47 HydrophobicContact CD1-CD1 3.56Å; F6-L47 HydrophobicContact CD1-CD2 3.99Å; F6-L47 HydrophobicContact CD1-CG 4.45Å; F6-L47 HydrophobicContact CD2-CD2 4.25Å; F6-L47 HydrophobicContact CE1-CD1 3.65Å; F6-L47 HydrophobicContact CG-CD1 4.15Å; F6-L47 HydrophobicContact CG-CD2 3.73Å; F6-L47 HydrophobicContact CZ-CD1 4.3Å; I19-L47 HydrophobicContact CD1-CD2 3.95Å; I19-L47 HydrophobicContact CG1-CD2 4.17Å; I19-L47 HydrophobicContact CG2-CD2 4.33Å; F38-L47 HydrophobicContact CE1-CD2 4.47Å; K39-L47 WeakPolarHBondContact CA-O 3.33Å; F40-L47 HydrophobicContact CB-CB 4.31Å; F40-L47 PolarHBondContact N-O 3.06Å; F40-L47 PolarHBondContact O-N 2.95Å; L47-L49 HydrophobicContact CD1-CD2 4.07Å; L47-L49 HydrophobicContact CD1-CG 4.48Å; L47-L49 HydrophobicContact CD2-CD1 4.21Å; L47-L49 HydrophobicContact CD2-CG 4.36Å; L47-L49 HydrophobicContact CG-CD2 4.3Å; L47-L49 HydrophobicContact CG-CG 4.17Å; L47-L95 HydrophobicContact CD1-CD2 3.96Å
48R83.7Confident82.3Confident60 Ų6049.5 Ų49.523%0.22624%0.238CC..EExtended strand (participates in β ladder)trans-139125176178.4-174178.7-172.91.4107.6F38 K39 F46 A96 E128 Q131F38-R48 CarbonylContact O-C 3.51Å; F38-R48 VanDerWaalsContact O-CA 3.29Å; F38-R48 WeakPolarHBondContact O-CA 3.21Å; K39-R48 HydrophobicContact CG-CG 4.16Å; F46-R48 HydrophobicContact CE1-CB 4.38Å; F46-R48 HydrophobicContact CZ-CB 4.3Å; R48-A96 HydrophobicContact CG-CB 3.97Å; R48-E128 IonicContact CZ-OE2 3.7Å; R48-E128 IonicContact NH1-OE2 3.41Å; R48-E128 PolarHBondContact NH1-OE2 3.42Å; R48-E128 IonicContact NH2-OE2 2.71Å; R48-Q131 PolarHBondContact O-OE1 2.86Å
49L82.4Confident81.5Confident0 Ų052.8 Ų52.80%027%0.272CS..EExtended strand (participates in β ladder)trans-123.1141.8179.5-55.9174.6000109.7F6 L8 I17 F38 L47 L51 L94 L95F6-L49 HydrophobicContact CD2-CD1 4.11Å; F6-L49 HydrophobicContact CD2-CD2 4.21Å; F6-L49 HydrophobicContact CE1-CD2 4.36Å; F6-L49 HydrophobicContact CE2-CD1 4.05Å; F6-L49 HydrophobicContact CE2-CD2 3.48Å; F6-L49 VanDerWaalsContact CE2-CD2 3.48Å; F6-L49 HydrophobicContact CE2-CG 4.42Å; F6-L49 HydrophobicContact CZ-CD2 3.57Å; L8-L49 HydrophobicContact CD1-CD1 4.11Å; L8-L49 HydrophobicContact CD2-CD1 4.17Å; I17-L49 HydrophobicContact CD1-CD1 4.36Å; I17-L49 HydrophobicContact CG2-CD1 4.43Å; F38-L49 HydrophobicContact CB-CB 4.34Å; F38-L49 HydrophobicContact CD1-CB 4.36Å; F38-L49 HydrophobicContact CD1-CD1 4Å; F38-L49 HydrophobicContact CD1-CG 4.21Å; F38-L49 PolarHBondContact N-O 3.25Å; F38-L49 PolarHBondContact O-N 3.18Å; L47-L49 HydrophobicContact CD1-CD2 4.07Å; L47-L49 HydrophobicContact CD1-CG 4.48Å; L47-L49 HydrophobicContact CD2-CD1 4.21Å; L47-L49 HydrophobicContact CD2-CG 4.36Å; L47-L49 HydrophobicContact CG-CD2 4.3Å; L47-L49 HydrophobicContact CG-CG 4.17Å; L49-L51 HydrophobicContact CB-CD2 4.28Å; L49-L94 CarbonylContact C-O 3.51Å; L49-L94 WeakPolarHBondContact CA-O 3.41Å; L49-L94 HydrophobicContact CD2-CB 4.22Å; L49-L95 HydrophobicContact CD2-CD2 4.19Å
50T82.9Confident81Confident46 Ų4652.1 Ų52.128%0.28228%0.275SS..EExtended strand (participates in β ladder)trans-105.6107.9164.6-62.30000107.1L94T50-L94 PolarHBondContact N-O 2.76Å
51L84.1Confident80.9Confident7 Ų754.3 Ų54.34%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-78.6145.9-175-58.8174.2000110.8L8 L15 S36 F38 L49 G53 I55L8-L51 HydrophobicContact CD2-CD2 3.76Å; L15-L51 HydrophobicContact CD2-CD1 3.59Å; L15-L51 HydrophobicContact CD2-CD2 3.76Å; L15-L51 HydrophobicContact CD2-CG 4.26Å; S36-L51 WeakPolarHBondContact O-CB 3.25Å; S36-L51 PolarHBondContact O-N 3.38Å; F38-L51 HydrophobicContact CB-CD1 4.26Å; L49-L51 HydrophobicContact CB-CD2 4.28Å; L51-G53 PolarHBondContact O-N 3.48Å; L51-I55 HydrophobicContact CD1-CD1 3.54Å; L51-I55 HydrophobicContact CD1-CG1 4.02Å; L51-I55 HydrophobicContact CD1-CG2 4.23Å
52P80.8Confident80.9Confident69 Ų6955.6 Ų55.645%0.44830%0.295SS..EExtended strand (participates in β ladder)trans-73.3-10.3-178.532.6-39.5000113.5F85 E86 L88P52-F85 HydrophobicContact CG-CB 3.79Å; P52-F85 HydrophobicContact CG-CD2 4.04Å; P52-F85 HydrophobicContact CG-CG 4.13Å; P52-E86 WeakPolarHBondContact CG-O 3.33Å; P52-L88 HydrophobicContact CG-CD2 4.34Å
53G83.3Confident81Confident8 Ų858.8 Ų58.88%0.08233%0.327CS..EExtended strand (participates in β ladder)trans-140.9169.9177.500000110.7L51L51-G53 PolarHBondContact O-N 3.48Å
54R83.7Confident81.4Confident148 Ų14856 Ų5656%0.55833%0.325SS*.EExtended strand (participates in β ladder)trans-92.3137.9-173.5-67.7178.6176-124.7-5.1112.6G35 E79G35-R54 CarbonylContact O-C 3.37Å; G35-R54 VanDerWaalsContact O-CA 3.29Å; G35-R54 WeakPolarHBondContact O-CA 3.35Å; R54-E79 HydrophobicContact CB-CB 3.95Å; R54-E79 WeakPolarHBondContact CB-OE2 3.32Å; R54-E79 WeakPolarHBondContact CD-OE2 3.33Å; R54-E79 WeakPolarHBondContact O-CB 3.42Å; R54-E79 PolarHBondContact O-N 3.13Å
55I86.7Confident81.8Confident6 Ų656.5 Ų56.53%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-114157.2172.852.7169.7000109.5L15 F33 G35 L51 L76 P77 F85L15-I55 HydrophobicContact CD2-CG2 4.47Å; F33-I55 HydrophobicContact CB-CD1 3.66Å; F33-I55 HydrophobicContact CD2-CD1 4.43Å; F33-I55 HydrophobicContact CG-CD1 4.3Å; G35-I55 VanDerWaalsContact O-CG1 3.26Å; G35-I55 WeakPolarHBondContact O-CG1 3.18Å; G35-I55 PolarHBondContact O-N 3.03Å; L51-I55 HydrophobicContact CD1-CD1 3.54Å; L51-I55 HydrophobicContact CD1-CG1 4.02Å; L51-I55 HydrophobicContact CD1-CG2 4.23Å; I55-L76 HydrophobicContact CD1-CB 4.3Å; I55-L76 HydrophobicContact CD1-CD1 3.66Å; I55-L76 HydrophobicContact CD1-CG 4.46Å; I55-L76 HydrophobicContact CG2-CB 4.28Å; I55-P77 WeakPolarHBondContact CA-O 3.25Å; I55-P77 WeakPolarHBondContact CB-O 3.39Å; I55-F85 HydrophobicContact CG2-CE2 4.27Å; I55-F85 HydrophobicContact CG2-CZ 4.33Å
56V83.6Confident82Confident37 Ų3758.3 Ų58.322%0.22433%0.331CS..  trans-136135.5-167.158.30000111.6N58 P77 E79V56-N58 HydrophobicContact CG1-CB 4.43Å; V56-N58 VanDerWaalsContact CG1-ND2 3.26Å; V56-N58 WeakPolarHBondContact CG1-ND2 3.41Å; V56-N58 PolarHBondContact O-N 3.34Å; V56-P77 HydrophobicContact CG1-CG 4.32Å; V56-P77 PolarHBondContact N-O 3.19Å; V56-P77 VanDerWaalsContact O-CG 3.25Å; V56-P77 WeakPolarHBondContact O-CG 3.42Å; V56-E79 HydrophobicContact CB-CB 4.41Å
57E79.7Confident81.7Confident158 Ų15859.6 Ų59.674%0.73835%0.349SS*.  trans-77.287.5176-167.3-179.1-174.900110.4F33 E61F33-E57 HydrophobicContact CE2-CB 3.98Å; F33-E57 HydrophobicContact CE2-CG 4.04Å; F33-E57 HydrophobicContact CZ-CG 4.37Å; E57-E61 WeakPolarHBondContact CA-OE1 3.46Å
58N74.5Confident81.5Confident112 Ų11267.3 Ų67.360%0.59939%0.39SS*.  trans-110.24.2-177-86.6-18000113.3V56 S60 P77V56-N58 HydrophobicContact CG1-CB 4.43Å; V56-N58 VanDerWaalsContact CG1-ND2 3.26Å; V56-N58 WeakPolarHBondContact CG1-ND2 3.41Å; V56-N58 PolarHBondContact O-N 3.34Å; N58-S60 PolarHBondContact O-N 3.44Å; N58-P77 HydrophobicContact CB-CG 4.35Å
59G70.3Confident81.2Confident69 Ų6970.8 Ų70.871%0.71141%0.407SS*.SBendtrans69.8-1.2178.500000115.2E61G59-E61 PolarHBondContact O-N 3.31Å
60S76.7Confident81.1Confident53 Ų5371 Ų7137%0.37141%0.409SS..  trans-81.625.7172.258.60000113.3N58N58-S60 PolarHBondContact O-N 3.44Å
61E84.8Confident81.3Confident48 Ų4871 Ų7122%0.22441%0.407CS..  trans-100.5143.6-161.1-44.4-158.3-133.300110.4F33 E57 G59 L76 P77F33-E61 VanDerWaalsContact CE2-CD 3.5Å; F33-E61 WeakPolarHBondContact CE2-OE1 3.44Å; F33-E61 WeakPolarHBondContact CE2-OE2 3.19Å; F33-E61 VanDerWaalsContact CZ-OE1 3.26Å; F33-E61 WeakPolarHBondContact CZ-OE1 3.41Å; F33-E61 WeakPolarHBondContact CZ-OE2 3.37Å; E57-E61 WeakPolarHBondContact CA-OE1 3.46Å; G59-E61 PolarHBondContact O-N 3.31Å; E61-L76 WeakPolarHBondContact OE2-CD2 3.41Å; E61-P77 HydrophobicContact CG-CG 4.21Å
62Q82.3Confident81.4Confident106 Ų10671 Ų7150%0.49541%0.407SS..EExtended strand (participates in β ladder)trans-134115.5-169.2-59.9178.6-17.200110.6I74 R75Q62-I74 CarbonylContact O-C 3.55Å; Q62-I74 WeakPolarHBondContact O-CA 3.45Å; Q62-R75 HydrophobicContact CB-CB 4.22Å; Q62-R75 PolarHBondContact N-O 2.59Å; Q62-R75 VanDerWaalsContact N-O 3.16Å; Q62-R75 PolarHBondContact O-N 2.9Å
63G84.1Confident81.8Confident67 Ų6769.5 Ų69.569%0.69140%0.397SS*.EExtended strand (participates in β ladder)trans-105.3132.3167.700000110.6T73G63-T73 WeakPolarHBondContact CA-O 3.22Å
64S84.3Confident82.1Confident73 Ų7369.7 Ų69.751%0.5140%0.396SS..EExtended strand (participates in β ladder)trans-132.8149.817062.40000110.7F72 T73S64-F72 CarbonylContact O-C 3.52Å; S64-F72 WeakPolarHBondContact O-CA 3.44Å; S64-T73 PolarHBondContact N-O 3.43Å; S64-T73 PolarHBondContact O-N 3.5Å
65Y84.1Confident82.4Confident63 Ų6366.1 Ų66.125%0.24738%0.382CS..EExtended strand (participates in β ladder)trans-123.8123.6177.4177.5-113.6000110.3V26 A67 I71 F72V26-Y65 HydrophobicContact CB-CD1 4.39Å; V26-Y65 HydrophobicContact CB-CE1 4.41Å; V26-Y65 HydrophobicContact CG1-CD1 3.69Å; V26-Y65 HydrophobicContact CG1-CE1 4.2Å; V26-Y65 HydrophobicContact CG1-CG 4.17Å; V26-Y65 HydrophobicContact CG2-CD1 3.7Å; V26-Y65 HydrophobicContact CG2-CE1 3.29Å; Y65-A67 HydrophobicContact CD1-CB 4.15Å; Y65-A67 VanDerWaalsContact CE1-CA 3.46Å; Y65-A67 HydrophobicContact CE1-CB 3.66Å; Y65-I71 WeakPolarHBondContact CD2-O 3.47Å; Y65-F72 HydrophobicContact CD2-CD1 4.29Å; Y65-F72 AromaticContact CD2-CD2 3.21Å; Y65-F72 HydrophobicContact CD2-CD2 3.21Å; Y65-F72 HydrophobicContact CD2-CE1 4.29Å; Y65-F72 AromaticContact CD2-CE2 3.22Å; Y65-F72 HydrophobicContact CD2-CE2 3.22Å; Y65-F72 AromaticContact CD2-CG 3.8Å; Y65-F72 HydrophobicContact CD2-CG 3.8Å; Y65-F72 AromaticContact CD2-CZ 3.79Å; Y65-F72 HydrophobicContact CD2-CZ 3.79Å; Y65-F72 AromaticContact CE2-CD2 3.58Å; Y65-F72 HydrophobicContact CE2-CD2 3.58Å; Y65-F72 AromaticContact CE2-CE2 3.44Å; Y65-F72 HydrophobicContact CE2-CE2 3.44Å; Y65-F72 VanDerWaalsContact CE2-CE2 3.44Å; Y65-F72 HydrophobicContact CE2-CZ 4.33Å; Y65-F72 HydrophobicContact CG-CD2 4.22Å; Y65-F72 HydrophobicContact CG-CE1 4.44Å; Y65-F72 AromaticContact CG-CE2 3.95Å; Y65-F72 HydrophobicContact CG-CE2 3.95Å; Y65-F72 HydrophobicContact CG-CZ 4.07Å
66D84.8Confident82.4Confident50 Ų5065.9 Ų65.927%0.26738%0.381SS..EExtended strand (participates in β ladder)trans-93.8104.6170.7-176.1-29.5000108.1D68 K69 G70 I71D66-D68 PolarHBondContact OD1-N 3.38Å; D66-D68 VanDerWaalsContact OD1-N 3.11Å; D66-K69 HydrophobicContact CB-CB 4.44Å; D66-K69 PolarHBondContact OD1-N 2.95Å; D66-K69 WeakPolarHBondContact OD2-CD 3.27Å; D66-K69 WeakPolarHBondContact OD2-CG 3.29Å; D66-K69 IonicContact OD2-NZ 3.33Å; D66-K69 PolarHBondContact OD2-NZ 2.98Å; D66-G70 WeakPolarHBondContact O-CA 3.47Å; D66-G70 PolarHBondContact O-N 3.4Å; D66-I71 PolarHBondContact N-O 3.09Å; D66-I71 PolarHBondContact O-N 2.96Å; D66-I71 VanDerWaalsContact O-N 3.1Å
67A77.1Confident82.6Confident71 Ų7164.5 Ų64.559%0.58737%0.372SS*.THydrogen-bonded Turntrans-71.4-28.1-177.100000113.4Y65Y65-A67 HydrophobicContact CD1-CB 4.15Å; Y65-A67 VanDerWaalsContact CE1-CA 3.46Å; Y65-A67 HydrophobicContact CE1-CB 3.66Å
68D76.9Confident83Confident162 Ų16257.4 Ų57.487%0.86634%0.339SS*.THydrogen-bonded Turntrans-76.2-30.9-179.3-62-36.7000111.1D66D66-D68 PolarHBondContact OD1-N 3.38Å; D66-D68 VanDerWaalsContact OD1-N 3.11Å
69K78.4Confident83.5Confident133 Ų13357 Ų5758%0.57833%0.334SS*.THydrogen-bonded Turntrans-97.6-15.6176.1-56.8-168.3-166.494.80114.2D66 I71D66-K69 HydrophobicContact CB-CB 4.44Å; D66-K69 PolarHBondContact OD1-N 2.95Å; D66-K69 WeakPolarHBondContact OD2-CD 3.27Å; D66-K69 WeakPolarHBondContact OD2-CG 3.29Å; D66-K69 IonicContact OD2-NZ 3.33Å; D66-K69 PolarHBondContact OD2-NZ 2.98Å; K69-I71 HydrophobicContact CB-CD1 3.82Å; K69-I71 HydrophobicContact CB-CG1 3.93Å; K69-I71 HydrophobicContact CD-CD1 4.31Å
70G81.4Confident84Confident4 Ų457.1 Ų57.14%0.04132%0.321CS..THydrogen-bonded Turntrans65.439.4-17300000112.9R20 V21 D66R20-G70 CarbonylContact C-O 3.57Å; R20-G70 WeakPolarHBondContact CA-O 3.49Å; V21-G70 CarbonylContact C-O 3.59Å; V21-G70 PolarHBondContact N-O 3.43Å; D66-G70 WeakPolarHBondContact O-CA 3.47Å; D66-G70 PolarHBondContact O-N 3.4Å
71I85.9Confident84.3Confident46 Ų4659.3 Ų59.324%0.23633%0.334CS..EExtended strand (participates in β ladder)trans-117.8122.1-175.6-60.1174.2000110.2A18 I19 R20 Y65 D66 K69A18-I71 HydrophobicContact CB-CG2 4.18Å; I19-I71 WeakPolarHBondContact O-CA 3.5Å; R20-I71 HydrophobicContact CB-CG1 4.4Å; R20-I71 HydrophobicContact CG-CG1 4.36Å; Y65-I71 WeakPolarHBondContact CD2-O 3.47Å; D66-I71 PolarHBondContact N-O 3.09Å; D66-I71 PolarHBondContact O-N 2.96Å; D66-I71 VanDerWaalsContact O-N 3.1Å; K69-I71 HydrophobicContact CB-CD1 3.82Å; K69-I71 HydrophobicContact CB-CG1 3.93Å; K69-I71 HydrophobicContact CD-CD1 4.31Å
72F87.1Confident83.9Confident8 Ų859.7 Ų59.74%0.03535%0.351CS..EExtended strand (participates in β ladder)trans-83.9134.6162.4-84.7-100.3000109.4A18 I19 V21 V26 F29 F40 S64 Y65A18-F72 CarbonylContact C-O 3.6Å; A18-F72 WeakPolarHBondContact CA-O 3.47Å; I19-F72 PolarHBondContact N-O 2.96Å; I19-F72 PolarHBondContact O-N 2.61Å; V21-F72 HydrophobicContact CG2-CD2 3.35Å; V21-F72 HydrophobicContact CG2-CE2 3.8Å; V21-F72 HydrophobicContact CG2-CG 4.45Å; V26-F72 HydrophobicContact CG1-CZ 4.32Å; F29-F72 HydrophobicContact CB-CE1 4.49Å; F29-F72 HydrophobicContact CB-CZ 4.42Å; F29-F72 AromaticContact CD1-CE1 3.76Å; F29-F72 HydrophobicContact CD1-CE1 3.76Å; F29-F72 AromaticContact CD1-CZ 3.92Å; F29-F72 HydrophobicContact CD1-CZ 3.92Å; F29-F72 HydrophobicContact CD2-CE1 4.16Å; F29-F72 AromaticContact CE1-CE1 3.95Å; F29-F72 HydrophobicContact CE1-CE1 3.95Å; F29-F72 HydrophobicContact CE1-CZ 4.43Å; F29-F72 HydrophobicContact CE2-CE1 4.34Å; F29-F72 AromaticContact CG-CE1 3.87Å; F29-F72 HydrophobicContact CG-CE1 3.87Å; F29-F72 HydrophobicContact CG-CZ 4.16Å; F29-F72 HydrophobicContact CZ-CE1 4.24Å; F40-F72 HydrophobicContact CE2-CB 4.41Å; F40-F72 HydrophobicContact CE2-CD1 4.3Å; F40-F72 HydrophobicContact CE2-CG 4.24Å; F40-F72 HydrophobicContact CZ-CD2 4.27Å; F40-F72 HydrophobicContact CZ-CG 4.23Å; S64-F72 CarbonylContact O-C 3.52Å; S64-F72 WeakPolarHBondContact O-CA 3.44Å; Y65-F72 HydrophobicContact CD2-CD1 4.29Å; Y65-F72 AromaticContact CD2-CD2 3.21Å; Y65-F72 HydrophobicContact CD2-CD2 3.21Å; Y65-F72 HydrophobicContact CD2-CE1 4.29Å; Y65-F72 AromaticContact CD2-CE2 3.22Å; Y65-F72 HydrophobicContact CD2-CE2 3.22Å; Y65-F72 AromaticContact CD2-CG 3.8Å; Y65-F72 HydrophobicContact CD2-CG 3.8Å; Y65-F72 AromaticContact CD2-CZ 3.79Å; Y65-F72 HydrophobicContact CD2-CZ 3.79Å; Y65-F72 AromaticContact CE2-CD2 3.58Å; Y65-F72 HydrophobicContact CE2-CD2 3.58Å; Y65-F72 AromaticContact CE2-CE2 3.44Å; Y65-F72 HydrophobicContact CE2-CE2 3.44Å; Y65-F72 VanDerWaalsContact CE2-CE2 3.44Å; Y65-F72 HydrophobicContact CE2-CZ 4.33Å; Y65-F72 HydrophobicContact CG-CD2 4.22Å; Y65-F72 HydrophobicContact CG-CE1 4.44Å; Y65-F72 AromaticContact CG-CE2 3.95Å; Y65-F72 HydrophobicContact CG-CE2 3.95Å; Y65-F72 HydrophobicContact CG-CZ 4.07Å
73T88.7Confident84Confident38 Ų3858.3 Ų58.323%0.23334%0.344CS..EExtended strand (participates in β ladder)trans-121.2122.2173.3-55.50000108.6T16 I17 G63 S64T16-T73 HydrophobicContact CG2-CG2 3.53Å; I17-T73 WeakPolarHBondContact O-CA 3.34Å; G63-T73 WeakPolarHBondContact CA-O 3.22Å; S64-T73 PolarHBondContact N-O 3.43Å; S64-T73 PolarHBondContact O-N 3.5Å
74I90.1Very high84Confident12 Ų1261.1 Ų61.16%0.06234%0.339CS..EExtended strand (participates in β ladder)trans-121.2122.4-176-59.1163.2000108.2T16 I17 I19 V31 F38 F40 Q62 L76T16-I74 CarbonylContact C-O 3.56Å; T16-I74 WeakPolarHBondContact CA-O 3.48Å; I17-I74 PolarHBondContact N-O 2.93Å; I17-I74 PolarHBondContact O-N 3.13Å; I19-I74 HydrophobicContact CD1-CD1 4.11Å; V31-I74 HydrophobicContact CG1-CD1 4.06Å; V31-I74 HydrophobicContact CG2-CD1 4Å; F38-I74 HydrophobicContact CE2-CD1 4.26Å; F38-I74 HydrophobicContact CE2-CG2 4.4Å; F38-I74 HydrophobicContact CZ-CD1 3.86Å; F40-I74 HydrophobicContact CD2-CD1 3.78Å; F40-I74 HydrophobicContact CE2-CD1 4.18Å; Q62-I74 CarbonylContact O-C 3.55Å; Q62-I74 WeakPolarHBondContact O-CA 3.45Å; I74-L76 HydrophobicContact CG2-CD2 3.67Å; I74-L76 HydrophobicContact CG2-CG 3.97Å
75R88.7Confident84Confident72 Ų7257.8 Ų57.827%0.27232%0.315SS..EExtended strand (participates in β ladder)trans-107.8115.7178.2-53.2-176.172.6-142.84109.8D11 L15 T16 Q62D11-R75 IonicContact OD2-NH2 3.17Å; D11-R75 PolarHBondContact OD2-NH2 2.9Å; L15-R75 CarbonylContact O-C 3.6Å; L15-R75 WeakPolarHBondContact O-CA 3.38Å; T16-R75 HydrophobicContact CG2-CG 4.1Å; Q62-R75 HydrophobicContact CB-CB 4.22Å; Q62-R75 PolarHBondContact N-O 2.59Å; Q62-R75 VanDerWaalsContact N-O 3.16Å; Q62-R75 PolarHBondContact O-N 2.9Å
76L88.1Confident83.9Confident1 Ų162 Ų621%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-112.2129.2-174.7-55.7169.4000108.8F14 L15 I17 F33 F38 I55 E61 I74F14-L76 CarbonylContact C-O 3.53Å; F14-L76 WeakPolarHBondContact CA-O 3.49Å; L15-L76 PolarHBondContact N-O 2.55Å; L15-L76 PolarHBondContact O-N 3.06Å; I17-L76 HydrophobicContact CD1-CD1 3.75Å; I17-L76 HydrophobicContact CG1-CD1 4.46Å; F33-L76 HydrophobicContact CD1-CD2 3.78Å; F33-L76 HydrophobicContact CD2-CD2 4.37Å; F33-L76 HydrophobicContact CE1-CD2 4.02Å; F33-L76 HydrophobicContact CG-CD2 4Å; F33-L76 HydrophobicContact CZ-CD2 4.43Å; F38-L76 HydrophobicContact CD2-CD1 3.56Å; F38-L76 HydrophobicContact CE2-CD1 3.86Å; I55-L76 HydrophobicContact CD1-CB 4.3Å; I55-L76 HydrophobicContact CD1-CD1 3.66Å; I55-L76 HydrophobicContact CD1-CG 4.46Å; I55-L76 HydrophobicContact CG2-CB 4.28Å; E61-L76 WeakPolarHBondContact OE2-CD2 3.41Å; I74-L76 HydrophobicContact CG2-CD2 3.67Å; I74-L76 HydrophobicContact CG2-CG 3.97Å
77P87.4Confident83.5Confident8 Ų861.5 Ų61.55%0.05234%0.344CS..EExtended strand (participates in β ladder)trans-75143.917932.4-35.8000111.2F14 I55 V56 N58 E61F14-P77 HydrophobicContact CD1-CB 4.08Å; F14-P77 HydrophobicContact CE1-CB 3.89Å; I55-P77 WeakPolarHBondContact CA-O 3.25Å; I55-P77 WeakPolarHBondContact CB-O 3.39Å; V56-P77 HydrophobicContact CG1-CG 4.32Å; V56-P77 PolarHBondContact N-O 3.19Å; V56-P77 VanDerWaalsContact O-CG 3.25Å; V56-P77 WeakPolarHBondContact O-CG 3.42Å; N58-P77 HydrophobicContact CB-CG 4.35Å; E61-P77 HydrophobicContact CG-CG 4.21Å
78K87.8Confident83.5Confident9 Ų958.6 Ų58.64%0.03932%0.319CS..BIsolated β-bridgetrans-79.4144.7177.1-67173.9171.6177.50111.1D11 D13 T80 Q83 F85D11-K78 PolarHBondContact O-NZ 3.31Å; D13-K78 PolarHBondContact O-N 3.46Å; K78-T80 VanDerWaalsContact C-N 3.29Å; K78-T80 PolarHBondContact O-N 2.64Å; K78-Q83 PolarHBondContact NZ-O 3.04Å; K78-F85 HydrophobicContact CD-CD1 4.44Å; K78-F85 HydrophobicContact CD-CE1 3.98Å; K78-F85 HydrophobicContact CD-CZ 4.39Å; K78-F85 HydrophobicContact CG-CE1 4Å; K78-F85 HydrophobicContact CG-CZ 3.95Å
79E84.8Confident83.4Confident104 Ų10457.9 Ų57.949%0.48632%0.315SS..SBendtrans-64.2-36.2174.6-173.3-178.6-169.700111.5R54 V56R54-E79 HydrophobicContact CB-CB 3.95Å; R54-E79 WeakPolarHBondContact CB-OE2 3.32Å; R54-E79 WeakPolarHBondContact CD-OE2 3.33Å; R54-E79 WeakPolarHBondContact O-CB 3.42Å; R54-E79 PolarHBondContact O-N 3.13Å; V56-E79 HydrophobicContact CB-CB 4.41Å
80T81.5Confident83.4Confident72 Ų7257.5 Ų57.544%0.44232%0.317SS..SBendtrans-118105.3173.958.50000111.3K78 G82 Q83K78-T80 VanDerWaalsContact C-N 3.29Å; K78-T80 PolarHBondContact O-N 2.64Å; T80-G82 PolarHBondContact O-N 3.41Å; T80-Q83 VanDerWaalsContact O-CB 3.28Å; T80-Q83 WeakPolarHBondContact O-CB 3.19Å; T80-Q83 PolarHBondContact O-N 2.6Å; T80-Q83 VanDerWaalsContact O-N 3.1Å; T80-Q83 VanDerWaalsContact OG1-CB 3.28Å; T80-Q83 WeakPolarHBondContact OG1-CB 3.46Å; T80-Q83 PolarHBondContact OG1-OE1 3.17Å
81P82Confident83.1Confident99 Ų9959.9 Ų59.964%0.64333%0.328SS*.THydrogen-bonded Turntrans-56.1133.8175-28.136.4000112
82G77.5Confident82.4Confident56 Ų5662.7 Ų62.758%0.57735%0.347SS*.THydrogen-bonded Turntrans86.2-5.6-174.800000115.3P12 T80 H84P12-G82 PolarHBondContact O-N 2.87Å; T80-G82 PolarHBondContact O-N 3.41Å; G82-H84 PolarHBondContact O-N 3.23Å
83Q83.2Confident81.5Confident76 Ų7665.7 Ų65.736%0.35537%0.374SS..  trans-69.3123.4172.8-174.3-178.420.800110.7K78 T80 F85K78-Q83 PolarHBondContact NZ-O 3.04Å; T80-Q83 VanDerWaalsContact O-CB 3.28Å; T80-Q83 WeakPolarHBondContact O-CB 3.19Å; T80-Q83 PolarHBondContact O-N 2.6Å; T80-Q83 VanDerWaalsContact O-N 3.1Å; T80-Q83 VanDerWaalsContact OG1-CB 3.28Å; T80-Q83 WeakPolarHBondContact OG1-CB 3.46Å; T80-Q83 PolarHBondContact OG1-OE1 3.17Å; Q83-F85 HydrophobicContact CB-CE1 4.47Å; Q83-F85 HydrophobicContact CG-CD1 4.23Å; Q83-F85 HydrophobicContact CG-CE1 4.21Å
84H84.7Confident80.6Confident127 Ų12764.3 Ų64.359%0.58837%0.365SS*.  trans-85.4125.8172.1-174.7-92.5000110.2Q10 G82Q10-H84 PolarHBondContact NE2-CD2 3.38Å; Q10-H84 PolarHBondContact NE2-NE2 3.39Å; G82-H84 PolarHBondContact O-N 3.23Å
85F84.6Confident79.8Confident2 Ų264.6 Ų64.61%0.00937%0.367CS..  trans-87.7114.1177.1-76.225000108.1Q10 L15 P52 I55 K78 Q83 L88Q10-F85 PolarHBondContact NE2-O 3.36Å; L15-F85 HydrophobicContact CD1-CD2 4.19Å; L15-F85 HydrophobicContact CD2-CD2 4.39Å; L15-F85 HydrophobicContact CD2-CE2 4.23Å; P52-F85 HydrophobicContact CG-CB 3.79Å; P52-F85 HydrophobicContact CG-CD2 4.04Å; P52-F85 HydrophobicContact CG-CG 4.13Å; I55-F85 HydrophobicContact CG2-CE2 4.27Å; I55-F85 HydrophobicContact CG2-CZ 4.33Å; K78-F85 HydrophobicContact CD-CD1 4.44Å; K78-F85 HydrophobicContact CD-CE1 3.98Å; K78-F85 HydrophobicContact CD-CZ 4.39Å; K78-F85 HydrophobicContact CG-CE1 4Å; K78-F85 HydrophobicContact CG-CZ 3.95Å; Q83-F85 HydrophobicContact CB-CE1 4.47Å; Q83-F85 HydrophobicContact CG-CD1 4.23Å; Q83-F85 HydrophobicContact CG-CE1 4.21Å; F85-L88 HydrophobicContact CB-CD1 4.3Å; F85-L88 HydrophobicContact CB-CD2 4.03Å; F85-L88 HydrophobicContact CB-CG 4.17Å
86E81Confident78.6Confident151 Ų15162.4 Ų62.471%0.70636%0.364SS*.THydrogen-bonded Turntrans-82.2151.7179.4-63.6-172.7175.800111.5P52P52-E86 WeakPolarHBondContact CG-O 3.33Å
87G76.9Confident76.8Confident40 Ų4066.9 Ų66.941%0.41239%0.393SS..THydrogen-bonded Turntrans79.411.6175.300000116.6N89 M90G87-N89 PolarHBondContact O-N 3.12Å; G87-M90 WeakPolarHBondContact O-CB 3.32Å; G87-M90 PolarHBondContact O-N 2.78Å
88L77.7Confident74.7Confident10 Ų1075 Ų755%0.05242%0.423CS..THydrogen-bonded Turntrans-55.7-26.2178.2-66.3-173000114.5L8 Q10 L15 P52 F85 M90 L94L8-L88 HydrophobicContact CB-CB 4.19Å; L8-L88 HydrophobicContact CB-CD1 4.43Å; L8-L88 HydrophobicContact CB-CD2 4.15Å; L8-L88 HydrophobicContact CB-CG 4.49Å; L8-L88 HydrophobicContact CD2-CD2 4.08Å; Q10-L88 HydrophobicContact CB-CD1 3.88Å; Q10-L88 HydrophobicContact CG-CD1 3.81Å; L15-L88 HydrophobicContact CD1-CD1 3.8Å; L15-L88 HydrophobicContact CD1-CD2 3.97Å; P52-L88 HydrophobicContact CG-CD2 4.34Å; F85-L88 HydrophobicContact CB-CD1 4.3Å; F85-L88 HydrophobicContact CB-CD2 4.03Å; F85-L88 HydrophobicContact CB-CG 4.17Å; L88-M90 VanDerWaalsContact C-N 3.33Å; L88-L94 VanDerWaalsContact O-CD1 3.32Å; L88-L94 WeakPolarHBondContact O-CD1 3.45Å
89N73.8Confident72.4Confident147 Ų14780.7 Ų80.779%0.78645%0.447SS*.THydrogen-bonded Turntrans-80.5-11.9176.7-57.8-11.8000113.2G87 L91G87-N89 PolarHBondContact O-N 3.12Å; N89-L91 VanDerWaalsContact C-N 3.27Å; N89-L91 PolarHBondContact O-N 3.35Å; N89-L91 VanDerWaalsContact O-N 3.14Å
90M78.4Confident70.2Confident126 Ų12680 Ų8062%0.62145%0.454SS*.  trans-89.562.8-179.2-59.1-62.2-17700109.6G87 L88 T92 A93 L94G87-M90 WeakPolarHBondContact O-CB 3.32Å; G87-M90 PolarHBondContact O-N 2.78Å; L88-M90 VanDerWaalsContact C-N 3.33Å; M90-T92 PolarHBondContact O-N 3.15Å; M90-A93 HydrophobicContact CB-CB 4.01Å; M90-A93 WeakPolarHBondContact O-CA 3.46Å; M90-A93 WeakPolarHBondContact O-CB 3.21Å; M90-A93 PolarHBondContact O-N 2.72Å; M90-L94 PolarHBondContact O-N 3.15Å
91L75.3Confident68.3Low54 Ų5483.3 Ų83.328%0.28346%0.458SS..Hα-helixtrans-51.7-36.1-170.6-58.1176.1000113.4F6 L8 N89 A93 L94 L95F6-L91 HydrophobicContact CD2-CD2 4.1Å; F6-L91 HydrophobicContact CE2-CB 4.17Å; F6-L91 HydrophobicContact CE2-CD2 3.7Å; F6-L91 HydrophobicContact CE2-CG 4.45Å; F6-L91 HydrophobicContact CZ-CB 3.95Å; F6-L91 HydrophobicContact CZ-CD2 4.33Å; F6-L91 WeakPolarHBondContact O-CD1 3.45Å; L8-L91 HydrophobicContact CD1-CD2 3.9Å; N89-L91 VanDerWaalsContact C-N 3.27Å; N89-L91 PolarHBondContact O-N 3.35Å; N89-L91 VanDerWaalsContact O-N 3.14Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 3.5Å; L91-L94 HydrophobicContact CD2-CD1 4.49Å; L91-L94 PolarHBondContact O-N 3.17Å; L91-L95 PolarHBondContact O-N 3.32Å; L91-L95 VanDerWaalsContact O-N 3.15Å
92T71.6Confident65.9Low104 Ų10485.1 Ų85.164%0.63847%0.468SS*.Hα-helixtrans-70.7-22.9176.7500000114.7M90 P133M90-T92 PolarHBondContact O-N 3.15Å; T92-P133 HydrophobicContact CG2-CG 4.39Å
93A67.1Low63.8Low72 Ų7287.2 Ų87.260%0.59548%0.48SS*.Hα-helixtrans-87.3-16.8173.600000112.7M90 L91M90-A93 HydrophobicContact CB-CB 4.01Å; M90-A93 WeakPolarHBondContact O-CA 3.46Å; M90-A93 WeakPolarHBondContact O-CB 3.21Å; M90-A93 PolarHBondContact O-N 2.72Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 3.5Å
94L70.1Confident61.4Low9 Ų992.8 Ų92.85%0.04750%0.503CS..Hα-helixtrans-88.2-27.7175.9-61.1170.4000112.4L8 L49 T50 L88 M90 L91 A96L8-L94 HydrophobicContact CD1-CD1 3.83Å; L8-L94 HydrophobicContact CD2-CD1 4.35Å; L49-L94 CarbonylContact C-O 3.51Å; L49-L94 WeakPolarHBondContact CA-O 3.41Å; L49-L94 HydrophobicContact CD2-CB 4.22Å; T50-L94 PolarHBondContact N-O 2.76Å; L88-L94 VanDerWaalsContact O-CD1 3.32Å; L88-L94 WeakPolarHBondContact O-CD1 3.45Å; M90-L94 PolarHBondContact O-N 3.15Å; L91-L94 HydrophobicContact CD2-CD1 4.49Å; L91-L94 PolarHBondContact O-N 3.17Å; L94-A96 PolarHBondContact O-N 3.44Å
95L74.9Confident58.9Low18 Ų1892.4 Ų92.49%0.09451%0.512CS..BIsolated β-bridgetrans-53.6128.6162.5-70.6174.6000108.1T3 F6 L47 L49 L91 P97T3-L95 HydrophobicContact CG2-CD2 4.17Å; F6-L95 HydrophobicContact CE1-CD2 3.96Å; F6-L95 HydrophobicContact CE1-CG 4.4Å; F6-L95 HydrophobicContact CZ-CD2 4.05Å; F6-L95 HydrophobicContact CZ-CG 4.19Å; L47-L95 HydrophobicContact CD1-CD2 3.96Å; L49-L95 HydrophobicContact CD2-CD2 4.19Å; L91-L95 PolarHBondContact O-N 3.32Å; L91-L95 VanDerWaalsContact O-N 3.15Å; L95-P97 VanDerWaalsContact O-N 3.11Å
96A61.5Low56.7Low25 Ų2599.7 Ų99.721%0.20755%0.55CS..PPolyproline II helixtrans-52.2122.2-173.800000109.9R48 L94R48-A96 HydrophobicContact CG-CB 3.97Å; L94-A96 PolarHBondContact O-N 3.44Å
97P50.7Low54.3Low96 Ų9698.6 Ų98.662%0.62355%0.553SS**PPolyproline II helixtrans-61.1146.8-171.423-33.3000110.3L95 K99L95-P97 VanDerWaalsContact O-N 3.11Å; P97-K99 PolarHBondContact O-N 2.91Å
98R42.8Very low52.4Low178 Ų178104.5 Ų104.567%0.67257%0.57SS**PPolyproline II helixtrans-48145.4161.5-71.3179.8168.6170.4-1.8108S100 E130R98-S100 PolarHBondContact O-N 3.35Å; R98-E130 IonicContact CZ-OE1 2.65Å; R98-E130 VanDerWaalsContact CZ-OE1 3.29Å; R98-E130 IonicContact NE-OE1 2.63Å; R98-E130 PolarHBondContact NE-OE1 3.36Å; R98-E130 IonicContact NH2-OE1 2.79Å; R98-E130 PolarHBondContact NH2-OE1 3.41Å
99K40.6Very low50.2Low128 Ų128112.9 Ų112.956%0.55761%0.609SS**  trans-68.655.8163-63.1171.7-165.9143.70109.5P97 R101 D126 E128P97-K99 PolarHBondContact O-N 2.91Å; K99-R101 PolarHBondContact O-N 3.05Å; K99-D126 IonicContact NZ-OD1 3.07Å; K99-D126 PolarHBondContact NZ-OD1 3.24Å; K99-D126 IonicContact NZ-OD2 2.69Å; K99-D126 PolarHBondContact NZ-OD2 3.11Å; K99-E128 WeakPolarHBondContact CE-OE1 3.45Å; K99-E128 IonicContact NZ-OE1 2.7Å; K99-E128 PolarHBondContact NZ-OE1 3.23Å; K99-E128 IonicContact NZ-OE2 2.7Å
100S38.6Very low48.5Very low90 Ų90114 Ų11463%0.62961%0.614SS**  trans-80.1112.8-174.155.60000109.9R98R98-S100 PolarHBondContact O-N 3.35Å
101R41.4Very low46.1Very low141 Ų141115.8 Ų115.853%0.53263%0.626SS.*  trans-42.5140.6169.5-66.7140.272.6169.34.6111.2K99 A103 D120 E123K99-R101 PolarHBondContact O-N 3.05Å; R101-A103 PolarHBondContact O-N 3.37Å; R101-D120 IonicContact CZ-OD2 2.78Å; R101-D120 PolarHBondContact NH1-O 3.43Å; R101-D120 IonicContact NH1-OD2 2.87Å; R101-D120 IonicContact NH2-OD2 2.63Å; R101-D120 PolarHBondContact NH2-OD2 3.22Å; R101-E123 WeakPolarHBondContact CD-OE1 3.19Å; R101-E123 IonicContact CZ-OE1 2.68Å; R101-E123 IonicContact NE-OE1 3.16Å; R101-E123 IonicContact NH1-OE1 3.68Å; R101-E123 PolarHBondContact NH1-OE1 3.31Å
102T31.8Very low44.2Very low137 Ų137117 Ų11784%0.8464%0.643SS**PPolyproline II helixtrans-49.3128-177.447.10000113K104T102-K104 PolarHBondContact O-N 2.93Å
103A33.6Very low42.8Very low101 Ų101117.7 Ų117.784%0.83565%0.652SS**PPolyproline II helixtrans-62.4127.1169.400000110.7R101R101-A103 PolarHBondContact O-N 3.37Å
104K31.5Very low41Very low192 Ų192123.4 Ų123.484%0.83567%0.667SS**PPolyproline II helixtrans-70.6142.5163.1-71.2177.4-180171.40108.6T102T102-K104 PolarHBondContact O-N 2.93Å
105P33.1Very low39.2Very low120 Ų120130.2 Ų130.278%0.77970%0.701SS**PPolyproline II helixtrans-71.3137.2179.129.4-33.5000111.1V107P105-V107 PolarHBondContact O-N 3.44Å
106L37.9Very low37.1Very low154 Ų154134.7 Ų134.781%0.80673%0.732SS**  trans-76.7114.5176.3-175.571.5000110.1E108L106-E108 HydrophobicContact CD1-CG 4.38Å; L106-E108 HydrophobicContact CG-CG 4.48Å
107V31.8Very low35.8Very low128 Ų128142.4 Ų142.478%0.77676%0.764SS**  trans-128.7111160177.50000106.7P105P105-V107 PolarHBondContact O-N 3.44Å
108E36.1Very low35.2Very low165 Ų165143.4 Ų143.477%0.77176%0.76SS**  trans-78.6119.8172.7-63.2175.6134.500109.2L106L106-E108 HydrophobicContact CD1-CG 4.38Å; L106-E108 HydrophobicContact CG-CG 4.48Å
109E31.9Very low34.7Very low186 Ų186141.6 Ų141.687%0.86977%0.768SS**  trans-126.8145.3149-76.5-163.6155.200108.9
110I37.1Very low34.3Very low171 Ų171138.8 Ų138.888%0.87776%0.759SS**  trans-91.9115-157.3-58.4146.3000109.9
111D27.9Very low34.3Very low163 Ų163138.7 Ų138.787%0.87275%0.752SS**  trans-152.5165.2148.7-137.4-26.7000112.9
112A36.2Very low34.1Very low79 Ų79135.1 Ų135.165%0.65374%0.743SS**SBendtrans-87146.4-157.800000116.1
113S41.9Very low34.4Very low119 Ų119134 Ų13483%0.83273%0.728SS**  trans77.168.7162.8-44.60000117.5
114E30.4Very low34.5Very low192 Ų192137.9 Ų137.990%0.89773%0.729SS**  trans-117.6144158.9-67.6-164.8155.700112.5
115I31.2Very low34.5Very low151 Ų151135.8 Ų135.877%0.77472%0.72SS**  trans-77.7139.8-179.5-62.1156.3000107.4E117I115-E117 PolarHBondContact O-N 3.25Å
116P31.9Very low34.8Very low112 Ų112134.1 Ų134.173%0.72771%0.705SS**  trans-59.2117.4173-2031.7000109.7E118P116-E118 PolarHBondContact O-N 3.46Å
117E32.8Very low34.8Very low188 Ų188137.2 Ų137.288%0.87971%0.706SS**  trans-61.1102.8170.9-70.3-167.314300108.3I115I115-E117 PolarHBondContact O-N 3.25Å
118E38.1Very low35.3Very low117 Ų117135.4 Ų135.455%0.54769%0.689SS.*  trans-64.2136.7172.5-71.1-167.4179.700109.4P116 D120 K392P116-E118 PolarHBondContact O-N 3.46Å; E118-D120 PolarHBondContact O-N 2.98Å; E118-K392 WeakPolarHBondContact OE1-CD 3.41Å
119V33.7Very low35.9Very low140 Ų140132.4 Ų132.485%0.84868%0.677SS**  trans-52.2128.8-167.1-159.20000111.1D121V119-D121 VanDerWaalsContact C-N 3.29Å; V119-D121 PolarHBondContact O-N 3.45Å
120D31.2Very low36.8Very low68 Ų68127.3 Ų127.336%0.36465%0.653SS.*  trans-71.580.3-173.3-176.943.1000112.7R101 E118 D122 K394R101-D120 IonicContact CZ-OD2 2.78Å; R101-D120 PolarHBondContact NH1-O 3.43Å; R101-D120 IonicContact NH1-OD2 2.87Å; R101-D120 IonicContact NH2-OD2 2.63Å; R101-D120 PolarHBondContact NH2-OD2 3.22Å; E118-D120 PolarHBondContact O-N 2.98Å; D120-D122 PolarHBondContact O-N 3.08Å; D120-K394 IonicContact OD1-NZ 3.79Å; D120-K394 PolarHBondContact OD1-NZ 2.96Å
121D39.6Very low37.2Very low88 Ų88121 Ų12147%0.47162%0.62SS.*  trans-7329.3-178.8-161.653.5000113V119 E123 K397V119-D121 VanDerWaalsContact C-N 3.29Å; V119-D121 PolarHBondContact O-N 3.45Å; D121-E123 PolarHBondContact O-N 3.47Å; D121-K397 WeakPolarHBondContact O-CE 3.23Å; D121-K397 PolarHBondContact O-NZ 3.29Å; D121-K397 WeakPolarHBondContact OD2-CE 3.5Å; D121-K397 IonicContact OD2-NZ 3.42Å; D121-K397 PolarHBondContact OD2-NZ 3.43Å
122D36.2Very low38.3Very low67 Ų67117.7 Ų117.736%0.35861%0.606SS.*  trans-84.231.6173.6-8027.4000111.1D120 K394 K396D120-D122 PolarHBondContact O-N 3.08Å; D122-K394 VanDerWaalsContact CG-NZ 3.28Å; D122-K394 IonicContact OD1-NZ 2.66Å; D122-K394 PolarHBondContact OD1-NZ 3.49Å; D122-K394 IonicContact OD2-NZ 3.75Å; D122-K396 IonicContact OD2-NZ 2.73Å; D122-K396 PolarHBondContact OD2-NZ 3.07Å
123E38.2Very low39.1Very low112 Ų112117.8 Ų117.852%0.52360%0.6SS.*  trans-85.5131.4173.7-76.9172.5-159.500111.3R101 D121R101-E123 WeakPolarHBondContact CD-OE1 3.19Å; R101-E123 IonicContact CZ-OE1 2.68Å; R101-E123 IonicContact NE-OE1 3.16Å; R101-E123 IonicContact NH1-OE1 3.68Å; R101-E123 PolarHBondContact NH1-OE1 3.31Å; D121-E123 PolarHBondContact O-N 3.47Å
124E36.8Very low39.6Very low184 Ų184117.1 Ų117.186%0.8658%0.58SS**  trans-48.8149171.6-172.8172.8-17300111.1D126E124-D126 VanDerWaalsContact C-N 3.33Å; E124-D126 PolarHBondContact O-N 3.23Å
125F31.4Very low40.7Very low147 Ų147115.9 Ų115.965%0.64557%0.574SS**  trans-64.489.9-173.5-168.5-86.2000110.9W127F125-W127 AromaticContact CD1-CD1 3.86Å; F125-W127 HydrophobicContact CD1-CD2 4.15Å; F125-W127 AromaticContact CD1-CE2 3.78Å; F125-W127 HydrophobicContact CD1-CG 4.21Å; F125-W127 HydrophobicContact CD1-CZ2 4.3Å; F125-W127 AromaticContact CD1-NE1 3.6Å; F125-W127 HydrophobicContact CE1-CD2 4.01Å; F125-W127 AromaticContact CE1-CE2 3.82Å; F125-W127 HydrophobicContact CE1-CE3 4.38Å; F125-W127 HydrophobicContact CE1-CG 4.44Å; F125-W127 HydrophobicContact CE1-CH2 4.44Å; F125-W127 HydrophobicContact CE1-CZ2 4.06Å; F125-W127 PolarHBondContact O-N 3.28Å; F125-W127 VanDerWaalsContact O-N 3.14Å
126D38.3Very low41.3Very low85 Ų85116 Ų11646%0.45557%0.572SS.*  trans-69.8111.5-179.5-158.1-12.1000108.8K99 E124 E128K99-D126 IonicContact NZ-OD1 3.07Å; K99-D126 PolarHBondContact NZ-OD1 3.24Å; K99-D126 IonicContact NZ-OD2 2.69Å; K99-D126 PolarHBondContact NZ-OD2 3.11Å; E124-D126 VanDerWaalsContact C-N 3.33Å; E124-D126 PolarHBondContact O-N 3.23Å; D126-E128 PolarHBondContact O-N 2.95Å; D126-E128 WeakPolarHBondContact OD1-CB 3.44Å; D126-E128 VanDerWaalsContact OD1-CG 3.28Å; D126-E128 WeakPolarHBondContact OD1-CG 3.4Å; D126-E128 PolarHBondContact OD1-N 3.29Å
127W37.6Very low41.7Very low220 Ų220116.5 Ų116.583%0.83357%0.572SS**  trans-730177.3-73.284000112.2F125F125-W127 AromaticContact CD1-CD1 3.86Å; F125-W127 HydrophobicContact CD1-CD2 4.15Å; F125-W127 AromaticContact CD1-CE2 3.78Å; F125-W127 HydrophobicContact CD1-CG 4.21Å; F125-W127 HydrophobicContact CD1-CZ2 4.3Å; F125-W127 AromaticContact CD1-NE1 3.6Å; F125-W127 HydrophobicContact CE1-CD2 4.01Å; F125-W127 AromaticContact CE1-CE2 3.82Å; F125-W127 HydrophobicContact CE1-CE3 4.38Å; F125-W127 HydrophobicContact CE1-CG 4.44Å; F125-W127 HydrophobicContact CE1-CH2 4.44Å; F125-W127 HydrophobicContact CE1-CZ2 4.06Å; F125-W127 PolarHBondContact O-N 3.28Å; F125-W127 VanDerWaalsContact O-N 3.14Å
128E42.1Very low41.9Very low90 Ų90111 Ų11142%0.42156%0.555SS.*SBendtrans-77.6121.8175.6-64.5-178.6-13900112.1R48 K99 D126 E130R48-E128 IonicContact CZ-OE2 3.7Å; R48-E128 IonicContact NH1-OE2 3.41Å; R48-E128 PolarHBondContact NH1-OE2 3.42Å; R48-E128 IonicContact NH2-OE2 2.71Å; K99-E128 WeakPolarHBondContact CE-OE1 3.45Å; K99-E128 IonicContact NZ-OE1 2.7Å; K99-E128 PolarHBondContact NZ-OE1 3.23Å; K99-E128 IonicContact NZ-OE2 2.7Å; D126-E128 PolarHBondContact O-N 2.95Å; D126-E128 WeakPolarHBondContact OD1-CB 3.44Å; D126-E128 VanDerWaalsContact OD1-CG 3.28Å; D126-E128 WeakPolarHBondContact OD1-CG 3.4Å; D126-E128 PolarHBondContact OD1-N 3.29Å; E128-E130 PolarHBondContact O-N 3.29Å
129I48.3Very low42.1Very low102 Ų102114.1 Ų114.152%0.52357%0.569SS.*PPolyproline II helixtrans-70.6116.2-179.4-60174.1000110M1 Q131M1-I129 HydrophobicContact CE-CD1 4.18Å; M1-I129 HydrophobicContact SD-CD1 3.93Å; I129-Q131 PolarHBondContact O-N 3.32Å
130E50.9Low42.2Very low78 Ų78112.2 Ų112.236%0.36456%0.562SS.*PPolyproline II helixtrans-64.3127.5177.9-176.8162.2-160.400112.2R98 E128 K265R98-E130 IonicContact CZ-OE1 2.65Å; R98-E130 VanDerWaalsContact CZ-OE1 3.29Å; R98-E130 IonicContact NE-OE1 2.63Å; R98-E130 PolarHBondContact NE-OE1 3.36Å; R98-E130 IonicContact NH2-OE1 2.79Å; R98-E130 PolarHBondContact NH2-OE1 3.41Å; E128-E130 PolarHBondContact O-N 3.29Å; E130-K265 IonicContact OE1-NZ 2.92Å; E130-K265 VanDerWaalsContact OE2-CD 3.26Å; E130-K265 WeakPolarHBondContact OE2-CD 3.23Å; E130-K265 VanDerWaalsContact OE2-CE 3.23Å; E130-K265 WeakPolarHBondContact OE2-CE 3.44Å; E130-K265 IonicContact OE2-NZ 3.78Å; E130-K265 PolarHBondContact OE2-NZ 3.14Å
131Q47.4Very low42.8Very low39 Ų39111.3 Ų111.318%0.18256%0.564CS.*PPolyproline II helixtrans-97.1126178.1-73.3173.7-24.100110.7R48 I129R48-Q131 PolarHBondContact O-OE1 2.86Å; I129-Q131 PolarHBondContact O-N 3.32Å
132T51Low43.2Very low94 Ų94114.4 Ų114.458%0.57758%0.58SS**PPolyproline II helixtrans-98.2155.5168.456.20000110T3T3-T132 WeakPolarHBondContact CB-O 3.37Å; T3-T132 PolarHBondContact OG1-O 3.4Å
133P53Low43.9Very low80 Ų80117.4 Ų117.452%0.51960%0.596SS.*PPolyproline II helixtrans-54154.9168.6-2535.5000112.2T92T92-P133 HydrophobicContact CG2-CG 4.39Å
134Y51.8Low45Very low106 Ų106115.8 Ų115.842%0.41660%0.595SS.*PPolyproline II helixtrans-73.9129.2172.1173.1-98.9000110.2A5 E136A5-Y134 HydrophobicContact CB-CD1 3.68Å; A5-Y134 HydrophobicContact CB-CD2 4.45Å; A5-Y134 HydrophobicContact CB-CE1 3.9Å; A5-Y134 HydrophobicContact CB-CG 3.96Å; Y134-E136 HydrophobicContact CE1-CG 3.67Å
135E53.4Low46.6Very low166 Ų166111 Ų11178%0.77657%0.573SS**  trans-107.6131.4170.8-67.2-178.2170.200109.4V137E135-V137 PolarHBondContact O-N 2.97Å; E135-V137 VanDerWaalsContact O-N 3.15Å
136E42.6Very low49.2Very low154 Ų154104.8 Ų104.872%0.7255%0.547SS*.  trans-69.6108.2173.6-77.4-168.414600110.4Y134 S138Y134-E136 HydrophobicContact CE1-CG 3.67Å; E136-S138 PolarHBondContact O-N 3.34Å
137V41.9Very low51.5Low121 Ų121105.1 Ų105.173%0.73355%0.546SS*.  trans-71.699.7172.7-175.40000108.8E135 A141E135-V137 PolarHBondContact O-N 2.97Å; E135-V137 VanDerWaalsContact O-N 3.15Å; V137-A141 HydrophobicContact CG1-CB 3.76Å
138S36.3Very low54.1Low74 Ų7494.7 Ų94.752%0.51751%0.506SS..  trans-65.5145.5175.653.50000112.1E136 S140 A141E136-S138 PolarHBondContact O-N 3.34Å; S138-S140 WeakPolarHBondContact CB-OG 3.41Å; S138-S140 PolarHBondContact O-N 3.31Å; S138-S140 PolarHBondContact OG-OG 3.05Å; S138-A141 VanDerWaalsContact O-CB 3.27Å; S138-A141 WeakPolarHBondContact O-CB 3.34Å; S138-A141 PolarHBondContact O-N 2.62Å
139E41.5Very low56.4Low182 Ų18290.6 Ų90.685%0.8549%0.489SS*.G310 helixtrans-62.8-9.4-178.1-64.2-176.7148.100114.1A141 L142E139-A141 PolarHBondContact O-N 3.02Å; E139-A141 VanDerWaalsContact O-N 3.14Å; E139-L142 WeakPolarHBondContact O-CG 3.39Å
140S36.7Very low58.5Low100 Ų10085.8 Ų85.870%0.69946%0.464SS*.G310 helixtrans-59.3-11.916322.40000114.3S138 L142S138-S140 WeakPolarHBondContact CB-OG 3.41Å; S138-S140 PolarHBondContact O-N 3.31Å; S138-S140 PolarHBondContact OG-OG 3.05Å; S140-L142 PolarHBondContact O-N 3.39Å; S140-L142 VanDerWaalsContact O-N 3.1Å
141A44.5Very low60.2Low49 Ų4982.4 Ų82.441%0.40545%0.45SS..G310 helixtrans-74.217.7176.700000115.3V137 S138 E139 N143 P144V137-A141 HydrophobicContact CG1-CB 3.76Å; S138-A141 VanDerWaalsContact O-CB 3.27Å; S138-A141 WeakPolarHBondContact O-CB 3.34Å; S138-A141 PolarHBondContact O-N 2.62Å; E139-A141 PolarHBondContact O-N 3.02Å; E139-A141 VanDerWaalsContact O-N 3.14Å; A141-N143 VanDerWaalsContact C-N 3.31Å; A141-P144 WeakPolarHBondContact O-CD 3.38Å
142L46.8Very low62.2Low153 Ų15382.5 Ų82.580%0.80145%0.452SS*.G310 helixtrans-75.5-15.2175.3-70.2172.9000114.2E139 S140E139-L142 WeakPolarHBondContact O-CG 3.39Å; S140-L142 PolarHBondContact O-N 3.39Å; S140-L142 VanDerWaalsContact O-N 3.1Å
143N52.2Low63.9Low130 Ų13081.8 Ų81.870%0.69544%0.444SS*.SBendtrans-138.572.6169.2-83-44.8000109.8A141 Q145A141-N143 VanDerWaalsContact C-N 3.31Å; N143-Q145 PolarHBondContact O-N 2.89Å
144P59.5Low65.4Low77 Ų7781.2 Ų81.250%0.543%0.432SS..  trans-70117178.729.6-30.1000108.7A141 C146A141-P144 WeakPolarHBondContact O-CD 3.38Å; P144-C146 PolarHBondContact O-N 3.23Å; P144-C146 PolarHBondContact O-SG 3.34Å
145Q72.1Confident67Low85 Ų8578 Ų7840%0.39743%0.425SS..  trans-60.2110.9176.6-166178.8-4.600109N143 H147 G156N143-Q145 PolarHBondContact O-N 2.89Å; Q145-H147 PolarHBondContact O-CE1 3.19Å; Q145-H147 PolarHBondContact O-N 3.15Å; Q145-H147 PolarHBondContact O-ND1 3.44Å; Q145-G156 VanDerWaalsContact NE2-N 3.11Å
146C84.8Confident68.2Low16 Ų1670.3 Ų70.311%0.10839%0.39CS..  trans-78.9125.6-169.6-710000109.9P144 Y148 P174 D175P144-C146 PolarHBondContact O-N 3.23Å; P144-C146 PolarHBondContact O-SG 3.34Å; C146-Y148 WeakPolarHBondContact O-CD1 3.44Å; C146-P174 WeakPolarHBondContact CB-O 3.12Å; C146-D175 PolarHBondContact N-O 3.14Å
147H88Confident70Confident92 Ų9264.4 Ų64.443%0.42636%0.364SS..  trans-83.8160.2-178.1-67.362.5000111.8Q145 N152 R154 S155 R182Q145-H147 PolarHBondContact O-CE1 3.19Å; Q145-H147 PolarHBondContact O-N 3.15Å; Q145-H147 PolarHBondContact O-ND1 3.44Å; H147-N152 HydrophobicContact CB-CB 4.11Å; H147-N152 WeakPolarHBondContact CB-O 3.34Å; H147-R154 CarbonylContact C-O 3.54Å; H147-R154 VanDerWaalsContact CA-O 3.29Å; H147-R154 WeakPolarHBondContact CA-O 3.42Å; H147-S155 PolarHBondContact NE2-OG 3.35Å; H147-R182 PolarHBondContact O-NH1 3.01Å; H147-R182 VanDerWaalsContact O-NH1 3.14Å; H147-R182 PolarHBondContact O-NH2 3.27Å
148Y90.8Very high71.8Confident0 Ų058.9 Ų58.90%033%0.33CS..BIsolated β-bridgetrans-163.4-169.4178.953.4-92.7000110.1C146 N152 L153 R154 V157 F158 P174 D175 F311 L381C146-Y148 WeakPolarHBondContact O-CD1 3.44Å; Y148-N152 WeakPolarHBondContact CA-OD1 3.36Å; Y148-N152 CarbonylContact O-C 3.54Å; Y148-N152 WeakPolarHBondContact O-CA 3.28Å; Y148-L153 PolarHBondContact O-N 3.45Å; Y148-R154 PolarHBondContact N-O 3.11Å; Y148-R154 WeakPolarHBondContact O-CB 3.49Å; Y148-R154 PolarHBondContact O-N 3.47Å; Y148-R154 VanDerWaalsContact O-O 3.12Å; Y148-V157 HydrophobicContact CE2-CB 4.35Å; Y148-V157 WeakPolarHBondContact OH-CB 3.49Å; Y148-V157 PolarHBondContact OH-N 2.84Å; Y148-V157 VanDerWaalsContact OH-N 3.11Å; Y148-F158 PolarHBondContact OH-N 3.03Å; Y148-P174 HydrophobicContact CD1-CB 4.19Å; Y148-P174 HydrophobicContact CE1-CB 4.09Å; Y148-P174 HydrophobicContact CE1-CG 4.4Å; Y148-D175 WeakPolarHBondContact CE1-OD1 3.4Å; Y148-D175 PolarHBondContact OH-OD1 3.31Å; Y148-F311 HydrophobicContact CD1-CD2 4.01Å; Y148-F311 HydrophobicContact CD1-CE2 4.32Å; Y148-F311 AromaticContact CD2-CD2 3.52Å; Y148-F311 HydrophobicContact CD2-CD2 3.52Å; Y148-F311 AromaticContact CD2-CE2 3.37Å; Y148-F311 HydrophobicContact CD2-CE2 3.37Å; Y148-F311 HydrophobicContact CD2-CG 4.36Å; Y148-F311 HydrophobicContact CD2-CZ 4.1Å; Y148-F311 HydrophobicContact CE1-CE2 4.48Å; Y148-F311 HydrophobicContact CE2-CD2 4.15Å; Y148-F311 AromaticContact CE2-CE2 3.58Å; Y148-F311 HydrophobicContact CE2-CE2 3.58Å; Y148-F311 HydrophobicContact CE2-CZ 4.27Å; Y148-F311 AromaticContact CG-CD2 3.44Å; Y148-F311 HydrophobicContact CG-CD2 3.44Å; Y148-F311 VanDerWaalsContact CG-CD2 3.44Å; Y148-F311 AromaticContact CG-CE2 3.77Å; Y148-F311 HydrophobicContact CG-CE2 3.77Å; Y148-F311 HydrophobicContact CG-CG 4.25Å; Y148-L381 HydrophobicContact CD2-CD2 4.31Å; Y148-L381 HydrophobicContact CE2-CD1 4.35Å; Y148-L381 HydrophobicContact CE2-CD2 3.93Å
149G90.1Very high73.7Confident5 Ų560.5 Ų60.55%0.05233%0.33CS..SBendtrans79.9-176.6-175.400000112.4G151 N152 L381 Y382G149-G151 PolarHBondContact O-N 3Å; G149-N152 PolarHBondContact O-N 3.47Å; G149-L381 CarbonylContact C-O 3.59Å; G149-L381 VanDerWaalsContact CA-O 3.31Å; G149-L381 WeakPolarHBondContact CA-O 3.41Å; G149-Y382 VanDerWaalsContact CA-CZ 3.42Å; G149-Y382 PolarHBondContact N-OH 2.95Å; G149-Y382 VanDerWaalsContact N-OH 3.15Å
150F92.3Very high75.4Confident0 Ų061.9 Ų61.90%033%0.327CS..G310 helixtrans-49.9121.5175.2-179.3-88.2000110.7N152 L153 Y261 L263 V271 L381 D385 Y386 W389F150-N152 PolarHBondContact O-N 3.25Å; F150-N152 VanDerWaalsContact O-N 3.13Å; F150-L153 HydrophobicContact CD1-CD1 4.19Å; F150-L153 VanDerWaalsContact O-CB 3.29Å; F150-L153 WeakPolarHBondContact O-CB 3.5Å; F150-L153 VanDerWaalsContact O-CG 3.3Å; F150-L153 WeakPolarHBondContact O-CG 3.41Å; F150-L153 PolarHBondContact O-N 3.31Å; F150-Y261 HydrophobicContact CD1-CD1 4.13Å; F150-Y261 HydrophobicContact CD1-CE1 4.09Å; F150-Y261 AromaticContact CE1-CD1 3.67Å; F150-Y261 HydrophobicContact CE1-CD1 3.67Å; F150-Y261 HydrophobicContact CE1-CD2 4.33Å; F150-Y261 AromaticContact CE1-CE1 3.9Å; F150-Y261 HydrophobicContact CE1-CE1 3.9Å; F150-Y261 AromaticContact CE1-CG 3.91Å; F150-Y261 HydrophobicContact CE1-CG 3.91Å; F150-L263 HydrophobicContact CE1-CD1 4.25Å; F150-L263 HydrophobicContact CE1-CD2 4.44Å; F150-L263 HydrophobicContact CZ-CD1 4.38Å; F150-V271 HydrophobicContact CD2-CG1 4.42Å; F150-V271 HydrophobicContact CD2-CG2 4.45Å; F150-V271 HydrophobicContact CE1-CG2 4.29Å; F150-V271 HydrophobicContact CE2-CG1 3.54Å; F150-V271 HydrophobicContact CE2-CG2 4.09Å; F150-V271 HydrophobicContact CZ-CG1 3.73Å; F150-V271 HydrophobicContact CZ-CG2 3.98Å; F150-L381 PolarHBondContact N-O 2.76Å; F150-D385 HydrophobicContact CB-CB 3.8Å; F150-D385 HydrophobicContact CD1-CB 3.9Å; F150-D385 HydrophobicContact CD2-CB 3.94Å; F150-D385 HydrophobicContact CG-CB 3.59Å; F150-Y386 HydrophobicContact CD2-CD1 4.05Å; F150-Y386 AromaticContact CD2-CD2 3.82Å; F150-Y386 HydrophobicContact CD2-CD2 3.82Å; F150-Y386 HydrophobicContact CD2-CE1 4.03Å; F150-Y386 AromaticContact CD2-CE2 3.81Å; F150-Y386 HydrophobicContact CD2-CE2 3.81Å; F150-Y386 AromaticContact CD2-CG 3.9Å; F150-Y386 HydrophobicContact CD2-CG 3.9Å; F150-Y386 AromaticContact CD2-CZ 3.87Å; F150-Y386 AromaticContact CE2-CD1 3.74Å; F150-Y386 HydrophobicContact CE2-CD1 3.74Å; F150-Y386 HydrophobicContact CE2-CD2 4.36Å; F150-Y386 AromaticContact CE2-CE1 3.79Å; F150-Y386 HydrophobicContact CE2-CE1 3.79Å; F150-Y386 HydrophobicContact CE2-CE2 4.41Å; F150-Y386 HydrophobicContact CE2-CG 4Å; F150-W389 HydrophobicContact CE2-CB 3.98Å; F150-W389 HydrophobicContact CE2-CD2 4.27Å; F150-W389 HydrophobicContact CE2-CE3 4.42Å; F150-W389 HydrophobicContact CE2-CG 4.09Å; F150-W389 HydrophobicContact CZ-CB 3.6Å; F150-W389 AromaticContact CZ-CD1 3.89Å; F150-W389 HydrophobicContact CZ-CD2 4.06Å; F150-W389 AromaticContact CZ-CG 3.56Å; F150-W389 HydrophobicContact CZ-CG 3.56Å
151G87.4Confident77.4Confident8 Ų859.7 Ų59.78%0.08231%0.307CS..G310 helixtrans60.617.5179.800000115.9G149 L153G149-G151 PolarHBondContact O-N 3Å; G151-L153 PolarHBondContact O-N 3.31Å
152N88.8Confident78.9Confident40 Ų4062 Ų6221%0.21431%0.31CS..G310 helixtrans56.831.3-167.7-67.7-58.4000113.6H147 Y148 G149 F150 R154 Q270H147-N152 HydrophobicContact CB-CB 4.11Å; H147-N152 WeakPolarHBondContact CB-O 3.34Å; Y148-N152 WeakPolarHBondContact CA-OD1 3.36Å; Y148-N152 CarbonylContact O-C 3.54Å; Y148-N152 WeakPolarHBondContact O-CA 3.28Å; G149-N152 PolarHBondContact O-N 3.47Å; F150-N152 PolarHBondContact O-N 3.25Å; F150-N152 VanDerWaalsContact O-N 3.13Å; N152-R154 VanDerWaalsContact C-N 3.33Å; N152-R154 PolarHBondContact O-N 3.07Å; N152-Q270 PolarHBondContact ND2-OE1 2.98Å
153L87.3Confident80.2Confident80 Ų8061.2 Ų61.242%0.41931%0.307SS..  trans-87.510.1-178.2-59179.6000114.3Y148 F150 G151 Y261 L263Y148-L153 PolarHBondContact O-N 3.45Å; F150-L153 HydrophobicContact CD1-CD1 4.19Å; F150-L153 VanDerWaalsContact O-CB 3.29Å; F150-L153 WeakPolarHBondContact O-CB 3.5Å; F150-L153 VanDerWaalsContact O-CG 3.3Å; F150-L153 WeakPolarHBondContact O-CG 3.41Å; F150-L153 PolarHBondContact O-N 3.31Å; G151-L153 PolarHBondContact O-N 3.31Å; L153-Y261 HydrophobicContact CD1-CD1 4.06Å; L153-L263 HydrophobicContact CD1-CD2 4.05Å; L153-L263 HydrophobicContact CD2-CD2 4.49Å; L153-L263 HydrophobicContact CG-CD2 4.45Å
154R85.6Confident81.4Confident67 Ų6758.8 Ų58.825%0.25329%0.291SS..BIsolated β-bridgetrans-129147.9179.2-59.1-65.8-166.5-73.7-19.9111.6H147 Y148 N152 V157 D380 L381 D385H147-R154 CarbonylContact C-O 3.54Å; H147-R154 VanDerWaalsContact CA-O 3.29Å; H147-R154 WeakPolarHBondContact CA-O 3.42Å; Y148-R154 PolarHBondContact N-O 3.11Å; Y148-R154 WeakPolarHBondContact O-CB 3.49Å; Y148-R154 PolarHBondContact O-N 3.47Å; Y148-R154 VanDerWaalsContact O-O 3.12Å; N152-R154 VanDerWaalsContact C-N 3.33Å; N152-R154 PolarHBondContact O-N 3.07Å; R154-V157 HydrophobicContact CB-CG2 4.43Å; R154-D380 PolarHBondContact NH2-O 3.24Å; R154-D380 VanDerWaalsContact NH2-O 3.08Å; R154-L381 HydrophobicContact CB-CD2 4.24Å; R154-L381 HydrophobicContact CG-CD2 4.13Å; R154-D385 IonicContact CZ-OD2 2.84Å; R154-D385 IonicContact NH1-OD2 2.81Å; R154-D385 PolarHBondContact NH1-OD2 3.28Å; R154-D385 IonicContact NH2-OD2 3.16Å; R154-D385 PolarHBondContact NH2-OD2 2.93Å
155S85.1Confident82.3Confident39 Ų3955.1 Ų55.127%0.27327%0.267SS..  trans-160155.9171.756.10000109.2H147 V157H147-S155 PolarHBondContact NE2-OG 3.35Å; S155-V157 VanDerWaalsContact C-N 3.33Å; S155-V157 PolarHBondContact O-N 3.21Å
156G78Confident82.8Confident4 Ų453.6 Ų53.64%0.04127%0.266CS..SBendtrans72.817.5178.100000115.3Q145 D175Q145-G156 VanDerWaalsContact NE2-N 3.11Å; G156-D175 VanDerWaalsContact CA-OD1 3.24Å; G156-D175 WeakPolarHBondContact CA-OD1 3.49Å; G156-D175 PolarHBondContact N-OD1 3.41Å
157V80.8Confident82.6Confident31 Ų3158.3 Ų58.319%0.18829%0.29CS..SBendtrans-83.3-38.1178.8-173.30000110.6Y148 R154 S155 Q159 R160 L161 L381Y148-V157 HydrophobicContact CE2-CB 4.35Å; Y148-V157 WeakPolarHBondContact OH-CB 3.49Å; Y148-V157 PolarHBondContact OH-N 2.84Å; Y148-V157 VanDerWaalsContact OH-N 3.11Å; R154-V157 HydrophobicContact CB-CG2 4.43Å; S155-V157 VanDerWaalsContact C-N 3.33Å; S155-V157 PolarHBondContact O-N 3.21Å; V157-Q159 VanDerWaalsContact C-N 3.34Å; V157-Q159 PolarHBondContact O-N 3.05Å; V157-R160 PolarHBondContact O-N 3.48Å; V157-L161 HydrophobicContact CG1-CD1 4.25Å; V157-L161 PolarHBondContact O-N 2.94Å; V157-L161 VanDerWaalsContact O-N 3.15Å; V157-L381 HydrophobicContact CB-CD2 4.36Å; V157-L381 HydrophobicContact CG1-CD2 4.3Å; V157-L381 HydrophobicContact CG2-CD2 4.09Å
158F78.6Confident82.4Confident4 Ų453.9 Ų53.92%0.01827%0.27CS..THydrogen-bonded Turntrans-66.5-36.8-177.9-177.9-90.4000111.5Y148 R160 L161 Q162 L165 I169 K172 P174 D175Y148-F158 PolarHBondContact OH-N 3.03Å; F158-R160 PolarHBondContact O-N 2.59Å; F158-L161 CarbonylContact O-C 3.54Å; F158-L161 PolarHBondContact O-N 3.03Å; F158-Q162 HydrophobicContact CE1-CB 4.46Å; F158-Q162 HydrophobicContact CE1-CG 3.82Å; F158-Q162 HydrophobicContact CZ-CG 3.83Å; F158-Q162 WeakPolarHBondContact O-CA 3.5Å; F158-Q162 WeakPolarHBondContact O-CB 3.39Å; F158-Q162 PolarHBondContact O-N 2.81Å; F158-L165 HydrophobicContact CB-CD2 4.19Å; F158-L165 HydrophobicContact CD2-CB 4.13Å; F158-L165 HydrophobicContact CD2-CD2 3.86Å; F158-L165 HydrophobicContact CD2-CG 4.12Å; F158-L165 HydrophobicContact CE2-CB 4.5Å; F158-I169 HydrophobicContact CD2-CD1 3.8Å; F158-I169 HydrophobicContact CE2-CD1 3.86Å; F158-K172 VanDerWaalsContact CE1-O 3.28Å; F158-K172 WeakPolarHBondContact CE1-O 3.43Å; F158-K172 WeakPolarHBondContact CZ-O 3.37Å; F158-P174 HydrophobicContact CB-CG 3.61Å; F158-P174 HydrophobicContact CD1-CG 4.35Å; F158-P174 HydrophobicContact CD2-CG 3.75Å; F158-P174 HydrophobicContact CG-CG 3.65Å; F158-D175 WeakPolarHBondContact CB-OD2 3.39Å; F158-D175 PolarHBondContact N-OD2 3.08Å
159Q77.3Confident82.4Confident109 Ų10954.4 Ų54.451%0.50927%0.272SS..THydrogen-bonded Turntrans-56.2-20.9170.7-71.6171.625.600115.2V157 D175 F176V157-Q159 VanDerWaalsContact C-N 3.34Å; V157-Q159 PolarHBondContact O-N 3.05Å; Q159-D175 WeakPolarHBondContact CG-OD2 3.42Å; Q159-D175 PolarHBondContact N-OD2 3.27Å; Q159-F176 VanDerWaalsContact NE2-CZ 3.31Å
160R77.4Confident82.5Confident210 Ų21055.9 Ų55.979%0.79228%0.279SS*.THydrogen-bonded Turntrans-102.4-31.2-177.7-59-179.4-167.5166.75.1113.5V157 F158V157-R160 PolarHBondContact O-N 3.48Å; F158-R160 PolarHBondContact O-N 2.59Å
161L77.8Confident82.4Confident54 Ų5456 Ų5628%0.28328%0.28SS..SBendtrans-123.241-175.1-60.3176000110.2V157 F158 D163 L165 I377V157-L161 HydrophobicContact CG1-CD1 4.25Å; V157-L161 PolarHBondContact O-N 2.94Å; V157-L161 VanDerWaalsContact O-N 3.15Å; F158-L161 CarbonylContact O-C 3.54Å; F158-L161 PolarHBondContact O-N 3.03Å; L161-D163 VanDerWaalsContact C-N 3.35Å; L161-D163 PolarHBondContact O-N 2.97Å; L161-L165 WeakPolarHBondContact O-CB 3.22Å; L161-L165 PolarHBondContact O-N 3Å; L161-I377 HydrophobicContact CB-CD1 4.35Å; L161-I377 HydrophobicContact CD1-CD1 4.11Å; L161-I377 HydrophobicContact CD1-CG1 4.42Å; L161-I377 HydrophobicContact CD1-CG2 4.39Å
162Q75.6Confident82.3Confident98 Ų9864.2 Ų64.246%0.45831%0.313SS..Hα-helixtrans-59.6-45.8-171.4178.1166.85.200111.7F158 S166F158-Q162 HydrophobicContact CE1-CB 4.46Å; F158-Q162 HydrophobicContact CE1-CG 3.82Å; F158-Q162 HydrophobicContact CZ-CG 3.83Å; F158-Q162 WeakPolarHBondContact O-CA 3.5Å; F158-Q162 WeakPolarHBondContact O-CB 3.39Å; F158-Q162 PolarHBondContact O-N 2.81Å; Q162-S166 VanDerWaalsContact O-CB 3.25Å; Q162-S166 WeakPolarHBondContact O-CB 3.49Å; Q162-S166 PolarHBondContact O-N 3.48Å; Q162-S166 PolarHBondContact O-OG 2.95Å
163D74.9Confident82.2Confident137 Ų13766.1 Ų66.173%0.73332%0.323SS*.Hα-helixtrans-65.3-56.3-175.8-57.1-33.7000110.6L161 L165 S166L161-D163 VanDerWaalsContact C-N 3.35Å; L161-D163 PolarHBondContact O-N 2.97Å; D163-L165 PolarHBondContact O-N 3.3Å; D163-S166 PolarHBondContact O-N 3.33Å
164E77.4Confident82.2Confident78 Ų7862.3 Ų62.336%0.36430%0.303SS..Hα-helixtrans-58.7-43.8178.6-64.7173.4-129.200112.6D167 V168 Y376 I377E164-D167 PolarHBondContact O-N 2.95Å; E164-V168 WeakPolarHBondContact O-CG2 3.31Å; E164-Y376 WeakPolarHBondContact OE2-CE1 3.28Å; E164-Y376 PolarHBondContact OE2-OH 3.39Å; E164-I377 HydrophobicContact CB-CD1 3.68Å
165L78.9Confident82.2Confident0 Ų059.2 Ų59.20%029%0.292CS..Hα-helixtrans-77-25.3-173.4-163.758.1000112.1F158 L161 D163 D167 V168 I169 F311 I377 L381F158-L165 HydrophobicContact CB-CD2 4.19Å; F158-L165 HydrophobicContact CD2-CB 4.13Å; F158-L165 HydrophobicContact CD2-CD2 3.86Å; F158-L165 HydrophobicContact CD2-CG 4.12Å; F158-L165 HydrophobicContact CE2-CB 4.5Å; L161-L165 WeakPolarHBondContact O-CB 3.22Å; L161-L165 PolarHBondContact O-N 3Å; D163-L165 PolarHBondContact O-N 3.3Å; L165-D167 VanDerWaalsContact C-N 3.28Å; L165-D167 PolarHBondContact O-N 3.26Å; L165-V168 HydrophobicContact CD1-CB 4.23Å; L165-V168 WeakPolarHBondContact O-CB 3.26Å; L165-V168 PolarHBondContact O-N 2.92Å; L165-V168 VanDerWaalsContact O-N 3.1Å; L165-I169 HydrophobicContact CD1-CG2 3.89Å; L165-I169 HydrophobicContact CD2-CD1 4.44Å; L165-I169 HydrophobicContact CG-CD1 4.07Å; L165-I169 HydrophobicContact CG-CG2 4.12Å; L165-I169 WeakPolarHBondContact O-CG1 3.43Å; L165-I169 PolarHBondContact O-N 3.4Å; L165-F311 HydrophobicContact CD2-CZ 4.47Å; L165-I377 HydrophobicContact CB-CD1 4.32Å; L165-I377 HydrophobicContact CD1-CB 4.16Å; L165-I377 HydrophobicContact CD1-CD1 4.23Å; L165-I377 HydrophobicContact CD1-CG2 3.9Å; L165-L381 HydrophobicContact CD1-CD1 4.38Å; L165-L381 HydrophobicContact CD2-CD1 4.4Å
166S81.4Confident82.3Confident54 Ų5462.2 Ų62.238%0.37830%0.3SS..Hα-helixtrans-64.5-29.1175.6-65.80000113.2Q162 D163 V168Q162-S166 VanDerWaalsContact O-CB 3.25Å; Q162-S166 WeakPolarHBondContact O-CB 3.49Å; Q162-S166 PolarHBondContact O-N 3.48Å; Q162-S166 PolarHBondContact O-OG 2.95Å; D163-S166 PolarHBondContact O-N 3.33Å; S166-V168 VanDerWaalsContact C-N 3.27Å; S166-V168 PolarHBondContact O-N 3.27Å
167D80.9Confident82.8Confident114 Ų11462.3 Ų62.361%0.6130%0.3SS*.THydrogen-bonded Turntrans-79-11.8175.5-71.2-20.6000113E164 L165 R302 P374E164-D167 PolarHBondContact O-N 2.95Å; L165-D167 VanDerWaalsContact C-N 3.28Å; L165-D167 PolarHBondContact O-N 3.26Å; D167-R302 PolarHBondContact O-NH1 3.46Å; D167-R302 PolarHBondContact O-NH2 2.97Å; D167-P374 HydrophobicContact CB-CB 4.48Å
168V84.3Confident83.3Confident0 Ų063.7 Ų63.70%031%0.31CS..THydrogen-bonded Turntrans-98.7-43.4-178-175.70000112.2E164 L165 S166 P374 L378E164-V168 WeakPolarHBondContact O-CG2 3.31Å; L165-V168 HydrophobicContact CD1-CB 4.23Å; L165-V168 WeakPolarHBondContact O-CB 3.26Å; L165-V168 PolarHBondContact O-N 2.92Å; L165-V168 VanDerWaalsContact O-N 3.1Å; S166-V168 VanDerWaalsContact C-N 3.27Å; S166-V168 PolarHBondContact O-N 3.27Å; V168-P374 VanDerWaalsContact CG2-C 3.48Å; V168-P374 HydrophobicContact CG2-CB 3.68Å; V168-P374 HydrophobicContact CG2-CG 4.47Å; V168-P374 WeakPolarHBondContact CG2-O 3.37Å; V168-L378 HydrophobicContact CG1-CD1 3.57Å; V168-L378 HydrophobicContact CG1-CD2 4.04Å; V168-L378 HydrophobicContact CG1-CG 3.71Å
169I90.8Very high83.9Confident11 Ų1165.3 Ų65.36%0.05632%0.323CS..  trans-106149.6-16977.4-177.3000111.9F158 L165 I171 P174 C309 F311F158-I169 HydrophobicContact CD2-CD1 3.8Å; F158-I169 HydrophobicContact CE2-CD1 3.86Å; L165-I169 HydrophobicContact CD1-CG2 3.89Å; L165-I169 HydrophobicContact CD2-CD1 4.44Å; L165-I169 HydrophobicContact CG-CD1 4.07Å; L165-I169 HydrophobicContact CG-CG2 4.12Å; L165-I169 WeakPolarHBondContact O-CG1 3.43Å; L165-I169 PolarHBondContact O-N 3.4Å; I169-I171 HydrophobicContact CB-CG2 4.21Å; I169-I171 HydrophobicContact CD1-CG2 3.65Å; I169-I171 WeakPolarHBondContact CD1-O 3.35Å; I169-I171 HydrophobicContact CG1-CG2 4Å; I169-I171 WeakPolarHBondContact CG1-O 3.41Å; I169-P174 HydrophobicContact CD1-CG 3.88Å; I169-C309 WeakPolarHBondContact CB-O 3.44Å; I169-F311 HydrophobicContact CD1-CE2 4.24Å; I169-F311 HydrophobicContact CD1-CZ 4.2Å; I169-F311 HydrophobicContact CG2-CE1 3.87Å; I169-F311 HydrophobicContact CG2-CZ 3.83Å
170D92.3Very high84.6Confident36 Ų3663.9 Ų63.919%0.19333%0.331CS..SBendtrans-82.6-20.1175.6-67-7.9000111.5K303 C309 W310 R327D170-K303 IonicContact OD1-NZ 3.6Å; D170-K303 PolarHBondContact OD1-NZ 3.31Å; D170-C309 HydrophobicContact CB-CB 4.48Å; D170-C309 PolarHBondContact N-O 2.65Å; D170-W310 HydrophobicContact CB-CD2 3.98Å; D170-W310 HydrophobicContact CB-CG 4.33Å; D170-W310 HydrophobicContact CB-CH2 4.32Å; D170-W310 HydrophobicContact CB-CZ2 3.5Å; D170-W310 PolarHBondContact OD2-NE1 2.88Å; D170-R327 IonicContact OD2-NH2 3.68Å; D170-R327 PolarHBondContact OD2-NH2 3.37Å
171I91Very high85.3Confident2 Ų257.4 Ų57.41%0.0131%0.309CS..  trans-88.5115.6-175.6-177.3171.8000112.9I169 N173 P174 T177 R182 C309 W310 F311I169-I171 HydrophobicContact CB-CG2 4.21Å; I169-I171 HydrophobicContact CD1-CG2 3.65Å; I169-I171 WeakPolarHBondContact CD1-O 3.35Å; I169-I171 HydrophobicContact CG1-CG2 4Å; I169-I171 WeakPolarHBondContact CG1-O 3.41Å; I171-N173 PolarHBondContact O-N 3.19Å; I171-P174 HydrophobicContact CD1-CB 4.29Å; I171-P174 HydrophobicContact CG2-CB 4.14Å; I171-T177 HydrophobicContact CD1-CG2 4.07Å; I171-R182 HydrophobicContact CD1-CB 4.02Å; I171-R182 VanDerWaalsContact CD1-CD 3.5Å; I171-R182 HydrophobicContact CD1-CG 3.43Å; I171-R182 VanDerWaalsContact CD1-CG 3.43Å; I171-C309 PolarHBondContact N-O 2.94Å; I171-W310 HydrophobicContact CB-CE3 3.96Å; I171-W310 HydrophobicContact CB-CZ3 4.25Å; I171-F311 HydrophobicContact CG2-CD2 4.49Å
172K85.5Confident86.1Confident181 Ų18155 Ų5579%0.78730%0.297SS*.SBendtrans-64.3-30.1-172.9-62.2-170.6177.4-172.30117F158F158-K172 VanDerWaalsContact CE1-O 3.28Å; F158-K172 WeakPolarHBondContact CE1-O 3.43Å; F158-K172 WeakPolarHBondContact CZ-O 3.37Å
173N85.3Confident87Confident80 Ų8053.1 Ų53.143%0.42829%0.285SS..  trans-149.371-174.6-83.5-38.1000110.6I171 D175 F176 T177I171-N173 PolarHBondContact O-N 3.19Å; N173-D175 VanDerWaalsContact C-N 3.27Å; N173-D175 PolarHBondContact O-N 3.19Å; N173-F176 PolarHBondContact O-N 3.1Å; N173-T177 WeakPolarHBondContact O-CB 3.45Å; N173-T177 PolarHBondContact O-N 2.32Å; N173-T177 VanDerWaalsContact O-N 3.09Å; N173-T177 PolarHBondContact O-OG1 3.14Å
174P86.7Confident88Confident0 Ų053.3 Ų53.30%028%0.282CS..THydrogen-bonded Turntrans-62.1-30.9-17424.5-34.8000114.1C146 Y148 F158 I169 I171 F176 R182 F311C146-P174 WeakPolarHBondContact CB-O 3.12Å; Y148-P174 HydrophobicContact CD1-CB 4.19Å; Y148-P174 HydrophobicContact CE1-CB 4.09Å; Y148-P174 HydrophobicContact CE1-CG 4.4Å; F158-P174 HydrophobicContact CB-CG 3.61Å; F158-P174 HydrophobicContact CD1-CG 4.35Å; F158-P174 HydrophobicContact CD2-CG 3.75Å; F158-P174 HydrophobicContact CG-CG 3.65Å; I169-P174 HydrophobicContact CD1-CG 3.88Å; I171-P174 HydrophobicContact CD1-CB 4.29Å; I171-P174 HydrophobicContact CG2-CB 4.14Å; P174-F176 PolarHBondContact O-N 3.02Å; P174-R182 PolarHBondContact O-NH2 3Å; P174-F311 HydrophobicContact CB-CD2 3.46Å; P174-F311 VanDerWaalsContact CB-CD2 3.46Å; P174-F311 HydrophobicContact CB-CE2 3.63Å; P174-F311 HydrophobicContact CG-CD2 4.2Å; P174-F311 HydrophobicContact CG-CE2 3.83Å
175D86.8Confident88.8Confident1 Ų153.7 Ų53.71%0.00528%0.282CS..THydrogen-bonded Turntrans-63.6-21.2179-83.6-40.3000114.3C146 Y148 G156 F158 Q159 N173C146-D175 PolarHBondContact N-O 3.14Å; Y148-D175 WeakPolarHBondContact CE1-OD1 3.4Å; Y148-D175 PolarHBondContact OH-OD1 3.31Å; G156-D175 VanDerWaalsContact CA-OD1 3.24Å; G156-D175 WeakPolarHBondContact CA-OD1 3.49Å; G156-D175 PolarHBondContact N-OD1 3.41Å; F158-D175 WeakPolarHBondContact CB-OD2 3.39Å; F158-D175 PolarHBondContact N-OD2 3.08Å; Q159-D175 WeakPolarHBondContact CG-OD2 3.42Å; Q159-D175 PolarHBondContact N-OD2 3.27Å; N173-D175 VanDerWaalsContact C-N 3.27Å; N173-D175 PolarHBondContact O-N 3.19Å
176F87.3Confident89.7Confident102 Ų10254.1 Ų54.145%0.44728%0.284SS..THydrogen-bonded Turntrans-129.2-2.5-175.9-59.6-72.8000114Q159 N173 P174 P178Q159-F176 VanDerWaalsContact NE2-CZ 3.31Å; N173-F176 PolarHBondContact O-N 3.1Å; P174-F176 PolarHBondContact O-N 3.02Å; F176-P178 WeakPolarHBondContact O-CD 3.5Å
177T88.9Confident90.4Very high7 Ų755.1 Ų55.14%0.04328%0.284CS..SBendtrans-96.1112.6178.3-54.30000109.7I171 N173 E181 R182I171-T177 HydrophobicContact CD1-CG2 4.07Å; N173-T177 WeakPolarHBondContact O-CB 3.45Å; N173-T177 PolarHBondContact O-N 2.32Å; N173-T177 VanDerWaalsContact O-N 3.09Å; N173-T177 PolarHBondContact O-OG1 3.14Å; T177-E181 HydrophobicContact CG2-CB 3.84Å; T177-E181 HydrophobicContact CG2-CG 3.92Å; T177-R182 HydrophobicContact CG2-CG 3.79Å; T177-R182 PolarHBondContact O-NE 2.86Å; T177-R182 PolarHBondContact O-NH2 3.22Å
178P91Very high91.1Very high60 Ų6052.6 Ų52.639%0.3928%0.28SS..  trans-66.4151.7178.9-20.634.4000112.4F176 A180 E181 R182F176-P178 WeakPolarHBondContact O-CD 3.5Å; P178-A180 VanDerWaalsContact C-N 3.27Å; P178-A180 PolarHBondContact O-N 2.74Å; P178-A180 VanDerWaalsContact O-N 3.07Å; P178-E181 VanDerWaalsContact CD-OE2 3.29Å; P178-E181 WeakPolarHBondContact CD-OE2 3.24Å; P178-E181 WeakPolarHBondContact O-CA 3.39Å; P178-E181 WeakPolarHBondContact O-CB 3.28Å; P178-E181 PolarHBondContact O-N 3.28Å; P178-R182 WeakPolarHBondContact O-CG 3.46Å; P178-R182 PolarHBondContact O-N 2.9Å
179A90.4Very high91.7Very high37 Ų3754.2 Ų54.231%0.30629%0.293SS..Hα-helixtrans-50.4-39.4-173.600000114.8E181 R182 R183A179-E181 PolarHBondContact O-N 3.33Å; A179-R182 WeakPolarHBondContact O-CB 3.19Å; A179-R182 PolarHBondContact O-N 3.49Å; A179-R183 PolarHBondContact O-N 3.24Å
180A91.4Very high92Very high80 Ų8053.7 Ų53.766%0.66129%0.29SS*.Hα-helixtrans-64.6-37.9176.700000113P178 R183 Q184P178-A180 VanDerWaalsContact C-N 3.27Å; P178-A180 PolarHBondContact O-N 2.74Å; P178-A180 VanDerWaalsContact O-N 3.07Å; A180-R183 PolarHBondContact O-N 2.95Å; A180-Q184 PolarHBondContact O-N 3Å
181E92.9Very high92.1Very high74 Ų7457.4 Ų57.435%0.34631%0.31SS..Hα-helixtrans-73.3-35.4175.9-167.8-171.5169.700111.3T177 P178 A179 R183 Q184 K185T177-E181 HydrophobicContact CG2-CB 3.84Å; T177-E181 HydrophobicContact CG2-CG 3.92Å; P178-E181 VanDerWaalsContact CD-OE2 3.29Å; P178-E181 WeakPolarHBondContact CD-OE2 3.24Å; P178-E181 WeakPolarHBondContact O-CA 3.39Å; P178-E181 WeakPolarHBondContact O-CB 3.28Å; P178-E181 PolarHBondContact O-N 3.28Å; A179-E181 PolarHBondContact O-N 3.33Å; E181-R183 VanDerWaalsContact C-N 3.33Å; E181-R183 PolarHBondContact O-N 2.88Å; E181-Q184 PolarHBondContact O-N 3.07Å; E181-K185 HydrophobicContact CG-CD 4.29Å; E181-K185 WeakPolarHBondContact O-CB 3.38Å; E181-K185 WeakPolarHBondContact O-CG 3.12Å; E181-K185 PolarHBondContact O-N 3.3Å; E181-K185 WeakPolarHBondContact OE1-CE 3.34Å; E181-K185 IonicContact OE1-NZ 3.33Å; E181-K185 PolarHBondContact OE1-NZ 3.32Å
182R94.4Very high92.4Very high4 Ų461.5 Ų61.52%0.01534%0.343CS..Hα-helixtrans-55.9-50.4171.2-50-168.3-176.5154.2-4.1110.1H147 I171 P174 T177 P178 A179 K185 R186 W310 F311H147-R182 PolarHBondContact O-NH1 3.01Å; H147-R182 VanDerWaalsContact O-NH1 3.14Å; H147-R182 PolarHBondContact O-NH2 3.27Å; I171-R182 HydrophobicContact CD1-CB 4.02Å; I171-R182 VanDerWaalsContact CD1-CD 3.5Å; I171-R182 HydrophobicContact CD1-CG 3.43Å; I171-R182 VanDerWaalsContact CD1-CG 3.43Å; P174-R182 PolarHBondContact O-NH2 3Å; T177-R182 HydrophobicContact CG2-CG 3.79Å; T177-R182 PolarHBondContact O-NE 2.86Å; T177-R182 PolarHBondContact O-NH2 3.22Å; P178-R182 WeakPolarHBondContact O-CG 3.46Å; P178-R182 PolarHBondContact O-N 2.9Å; A179-R182 WeakPolarHBondContact O-CB 3.19Å; A179-R182 PolarHBondContact O-N 3.49Å; R182-K185 PolarHBondContact O-N 3.39Å; R182-R186 WeakPolarHBondContact O-CB 3.45Å; R182-R186 PolarHBondContact O-N 2.96Å; R182-W310 WeakPolarHBondContact CD-O 3.5Å; R182-F311 WeakPolarHBondContact CD-O 3.43Å; R182-F311 PolarHBondContact NH1-O 3.02Å
183R94.3Very high93Very high57 Ų5756.4 Ų56.422%0.21532%0.321CS..Hα-helixtrans-59.7-46.5178.1-178.6178.5-73.2-146.8-10.7112.7A179 A180 E181 R186 L187 E312 T313 E319A179-R183 PolarHBondContact O-N 3.24Å; A180-R183 PolarHBondContact O-N 2.95Å; E181-R183 VanDerWaalsContact C-N 3.33Å; E181-R183 PolarHBondContact O-N 2.88Å; R183-R186 PolarHBondContact O-N 3.01Å; R183-L187 HydrophobicContact CG-CD1 4.17Å; R183-L187 WeakPolarHBondContact O-CG 3.15Å; R183-L187 PolarHBondContact O-N 2.91Å; R183-E312 WeakPolarHBondContact CA-OE2 3.24Å; R183-E312 WeakPolarHBondContact CB-OE2 3.37Å; R183-E312 IonicContact CZ-OE1 3.73Å; R183-E312 IonicContact NE-OE1 3.83Å; R183-E312 PolarHBondContact NE-OE1 3.08Å; R183-E312 IonicContact NE-OE2 3.86Å; R183-E312 IonicContact NH2-OE1 3.88Å; R183-E312 PolarHBondContact NH2-OE1 3.15Å; R183-E312 VanDerWaalsContact NH2-OE1 3.16Å; R183-T313 PolarHBondContact NH2-O 3.39Å; R183-E319 IonicContact CZ-OE1 2.6Å; R183-E319 IonicContact CZ-OE2 2.94Å; R183-E319 IonicContact NH1-OE1 2.62Å; R183-E319 PolarHBondContact NH1-OE1 3.22Å; R183-E319 IonicContact NH1-OE2 3.69Å; R183-E319 PolarHBondContact NH1-OE2 3.08Å; R183-E319 IonicContact NH2-OE1 2.97Å; R183-E319 IonicContact NH2-OE2 3.74Å; R183-E319 PolarHBondContact NH2-OE2 3.33Å
184Q95.4Very high93.6Very high141 Ų14154.2 Ų54.266%0.65931%0.308SS*.Hα-helixtrans-62.1-46.7178.9-174.7-178.81.100111.8A180 E181 R186 L187 A188A180-Q184 PolarHBondContact O-N 3Å; E181-Q184 PolarHBondContact O-N 3.07Å; Q184-R186 VanDerWaalsContact C-N 3.34Å; Q184-R186 PolarHBondContact O-N 3.05Å; Q184-L187 PolarHBondContact O-N 2.79Å; Q184-A188 PolarHBondContact O-N 2.99Å; Q184-A188 VanDerWaalsContact O-N 3.15Å
185K96Very high94.1Very high87 Ų8756.8 Ų56.838%0.37832%0.322SS..Hα-helixtrans-62.8-40.5177.2-72.2174.2-178.6167.80111.9E181 R182 A188 A189 W310E181-K185 HydrophobicContact CG-CD 4.29Å; E181-K185 WeakPolarHBondContact O-CB 3.38Å; E181-K185 WeakPolarHBondContact O-CG 3.12Å; E181-K185 PolarHBondContact O-N 3.3Å; E181-K185 WeakPolarHBondContact OE1-CE 3.34Å; E181-K185 IonicContact OE1-NZ 3.33Å; E181-K185 PolarHBondContact OE1-NZ 3.32Å; R182-K185 PolarHBondContact O-N 3.39Å; K185-A188 PolarHBondContact O-N 3.23Å; K185-A189 WeakPolarHBondContact O-CB 3.25Å; K185-A189 PolarHBondContact O-N 2.94Å; K185-W310 HydrophobicContact CB-CE3 4.49Å; K185-W310 HydrophobicContact CB-CH2 3.84Å; K185-W310 HydrophobicContact CB-CZ3 3.48Å; K185-W310 VanDerWaalsContact CB-CZ3 3.48Å
186R96.2Very high94.6Very high8 Ų859.1 Ų59.13%0.0334%0.337CS..Hα-helixtrans-59.5-51.1175.2-178.6179.562.673.1-5.6112.3R182 R183 Q184 A188 A189 E190 W310 E312 S323R182-R186 WeakPolarHBondContact O-CB 3.45Å; R182-R186 PolarHBondContact O-N 2.96Å; R183-R186 PolarHBondContact O-N 3.01Å; Q184-R186 VanDerWaalsContact C-N 3.34Å; Q184-R186 PolarHBondContact O-N 3.05Å; R186-A188 VanDerWaalsContact C-N 3.3Å; R186-A188 PolarHBondContact O-N 2.78Å; R186-A189 PolarHBondContact O-N 3.35Å; R186-A189 VanDerWaalsContact O-N 3.17Å; R186-E190 WeakPolarHBondContact CD-OE1 3.44Å; R186-E190 HydrophobicContact CG-CG 4.45Å; R186-E190 WeakPolarHBondContact CG-OE1 3.26Å; R186-E190 IonicContact CZ-OE1 2.86Å; R186-E190 VanDerWaalsContact NH1-CD 3.3Å; R186-E190 IonicContact NH1-OE1 3.14Å; R186-E190 PolarHBondContact NH1-OE1 3.32Å; R186-E190 IonicContact NH1-OE2 2.74Å; R186-E190 PolarHBondContact NH1-OE2 2.74Å; R186-E190 VanDerWaalsContact NH1-OE2 3.16Å; R186-E190 WeakPolarHBondContact O-CG 3.2Å; R186-E190 PolarHBondContact O-N 3.44Å; R186-W310 HydrophobicContact CB-CD2 3.55Å; R186-W310 HydrophobicContact CB-CE3 3.88Å; R186-W310 HydrophobicContact CB-CG 3.83Å; R186-W310 HydrophobicContact CB-CZ2 4.31Å; R186-W310 HydrophobicContact CB-CZ3 4.41Å; R186-W310 HydrophobicContact CG-CD2 3.92Å; R186-W310 HydrophobicContact CG-CG 3.77Å; R186-E312 IonicContact CZ-OE2 3.75Å; R186-E312 IonicContact NE-OE2 2.96Å; R186-E312 PolarHBondContact NE-OE2 3.09Å; R186-E312 IonicContact NH2-OE2 3.22Å; R186-E312 PolarHBondContact NH2-OE2 3.17Å; R186-S323 PolarHBondContact NH1-OG 2.7Å
187L95.9Very high95Very high75 Ų7560.4 Ų60.439%0.39335%0.348SS..Hα-helixtrans-60.8-40.7-178.9-71.5170.5000111.7R183 Q184 L191 R326R183-L187 HydrophobicContact CG-CD1 4.17Å; R183-L187 WeakPolarHBondContact O-CG 3.15Å; R183-L187 PolarHBondContact O-N 2.91Å; Q184-L187 PolarHBondContact O-N 2.79Å; L187-L191 WeakPolarHBondContact O-CB 3.5Å; L187-L191 PolarHBondContact O-N 2.98Å; L187-R326 PolarHBondContact O-NH2 3.12Å
188A96.3Very high95.4Very high62 Ų6263.4 Ų63.451%0.51236%0.362SS..Hα-helixtrans-65-42.6174.300000112.4Q184 K185 R186 L191 A192Q184-A188 PolarHBondContact O-N 2.99Å; Q184-A188 VanDerWaalsContact O-N 3.15Å; K185-A188 PolarHBondContact O-N 3.23Å; R186-A188 VanDerWaalsContact C-N 3.3Å; R186-A188 PolarHBondContact O-N 2.78Å; A188-L191 PolarHBondContact O-N 2.92Å; A188-A192 VanDerWaalsContact O-CB 3.3Å; A188-A192 WeakPolarHBondContact O-CB 3.05Å; A188-A192 PolarHBondContact O-N 3.03Å
189A96.6Very high95.7Very high34 Ų3460.5 Ų60.528%0.28134%0.343SS..Hα-helixtrans-67.1-35.7177.900000113K185 R186 K193 W310K185-A189 WeakPolarHBondContact O-CB 3.25Å; K185-A189 PolarHBondContact O-N 2.94Å; R186-A189 PolarHBondContact O-N 3.35Å; R186-A189 VanDerWaalsContact O-N 3.17Å; A189-K193 WeakPolarHBondContact O-CB 3.34Å; A189-K193 PolarHBondContact O-N 2.95Å; A189-K193 VanDerWaalsContact O-N 3.12Å; A189-W310 HydrophobicContact CB-CH2 4.22Å; A189-W310 HydrophobicContact CB-CZ2 3.72Å
190E96.8Very high96Very high0 Ų060.1 Ų60.10%034%0.336CS..Hα-helixtrans-65.4-49.3172.8-75.9167.3-168.700111.3R186 A192 K193 F194 R326 R327 Y331R186-E190 WeakPolarHBondContact CD-OE1 3.44Å; R186-E190 HydrophobicContact CG-CG 4.45Å; R186-E190 WeakPolarHBondContact CG-OE1 3.26Å; R186-E190 IonicContact CZ-OE1 2.86Å; R186-E190 VanDerWaalsContact NH1-CD 3.3Å; R186-E190 IonicContact NH1-OE1 3.14Å; R186-E190 PolarHBondContact NH1-OE1 3.32Å; R186-E190 IonicContact NH1-OE2 2.74Å; R186-E190 PolarHBondContact NH1-OE2 2.74Å; R186-E190 VanDerWaalsContact NH1-OE2 3.16Å; R186-E190 WeakPolarHBondContact O-CG 3.2Å; R186-E190 PolarHBondContact O-N 3.44Å; E190-A192 VanDerWaalsContact C-N 3.3Å; E190-A192 PolarHBondContact O-N 3.44Å; E190-K193 PolarHBondContact O-N 3.24Å; E190-F194 PolarHBondContact O-N 2.87Å; E190-R326 IonicContact OE2-CZ 2.72Å; E190-R326 IonicContact OE2-NE 3.9Å; E190-R326 PolarHBondContact OE2-NE 3.48Å; E190-R326 IonicContact OE2-NH2 2.62Å; E190-R327 HydrophobicContact CG-CG 4.04Å; E190-R327 VanDerWaalsContact OE1-CD 3.25Å; E190-R327 WeakPolarHBondContact OE1-CD 3.26Å; E190-R327 VanDerWaalsContact OE1-CG 3.29Å; E190-R327 WeakPolarHBondContact OE1-CG 3.24Å; E190-R327 IonicContact OE1-CZ 3.74Å; E190-R327 IonicContact OE1-NE 3.29Å; E190-R327 IonicContact OE1-NH1 2.72Å; E190-R327 PolarHBondContact OE1-NH1 2.69Å; E190-Y331 HydrophobicContact CG-CE2 4.12Å
191L95.7Very high96.2Very high114 Ų11458.4 Ų58.460%0.59732%0.322SS*.Hα-helixtrans-63.6-36.4179.8-174.1135.9000112L187 A188 K193L187-L191 WeakPolarHBondContact O-CB 3.5Å; L187-L191 PolarHBondContact O-N 2.98Å; A188-L191 PolarHBondContact O-N 2.92Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 3.4Å
192A97.2Very high96.3Very high87 Ų8755.7 Ų55.772%0.71931%0.309SS*.THydrogen-bonded Turntrans-75.2-13.7174.400000114.3A188 E190A188-A192 VanDerWaalsContact O-CB 3.3Å; A188-A192 WeakPolarHBondContact O-CB 3.05Å; A188-A192 PolarHBondContact O-N 3.03Å; E190-A192 VanDerWaalsContact C-N 3.3Å; E190-A192 PolarHBondContact O-N 3.44Å
193K97.3Very high96.3Very high75 Ų7557.6 Ų57.633%0.32632%0.318SS..THydrogen-bonded Turntrans-101.7-18.5179.2-178.459.7-153.964.60113.2A189 E190 L191 C330 Y331A189-K193 WeakPolarHBondContact O-CB 3.34Å; A189-K193 PolarHBondContact O-N 2.95Å; A189-K193 VanDerWaalsContact O-N 3.12Å; E190-K193 PolarHBondContact O-N 3.24Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 3.4Å; K193-C330 HydrophobicContact CG-CB 4.35Å; K193-C330 PolarHBondContact NZ-O 3.43Å; K193-Y331 HydrophobicContact CB-CE1 4.31Å; K193-Y331 HydrophobicContact CG-CD1 3.94Å; K193-Y331 HydrophobicContact CG-CE1 3.69Å
194F97.9Very high96.3Very high33 Ų3358.3 Ų58.315%0.14532%0.323CS..  trans-58.2142.4172.6-177-117.4000110.9E190 P196 Y199 L329 L417 L419 L422E190-F194 PolarHBondContact O-N 2.87Å; F194-P196 HydrophobicContact CD1-CG 4.27Å; F194-P196 HydrophobicContact CE1-CB 4.43Å; F194-P196 HydrophobicContact CE1-CG 3.91Å; F194-Y199 HydrophobicContact CE2-CG 4.3Å; F194-Y199 HydrophobicContact CZ-CG 4.37Å; F194-L329 WeakPolarHBondContact CD2-O 3.37Å; F194-L329 HydrophobicContact CE2-CB 4.5Å; F194-L417 HydrophobicContact CB-CD2 3.95Å; F194-L417 HydrophobicContact CD1-CB 4.4Å; F194-L417 HydrophobicContact CD1-CD2 3.97Å; F194-L417 HydrophobicContact CD2-CD1 3.89Å; F194-L417 HydrophobicContact CD2-CD2 4.16Å; F194-L417 HydrophobicContact CD2-CG 4.45Å; F194-L417 HydrophobicContact CE1-CB 4.14Å; F194-L417 HydrophobicContact CE2-CB 4.41Å; F194-L417 HydrophobicContact CE2-CD1 4.06Å; F194-L417 HydrophobicContact CG-CD1 4.34Å; F194-L417 HydrophobicContact CG-CD2 3.75Å; F194-L417 HydrophobicContact CG-CG 4.46Å; F194-L417 HydrophobicContact CZ-CB 4.16Å; F194-L419 HydrophobicContact CE1-CD2 4.49Å; F194-L419 HydrophobicContact CE2-CD2 3.97Å; F194-L419 HydrophobicContact CZ-CD2 3.56Å; F194-L422 HydrophobicContact CE1-CD1 3.96Å; F194-L422 HydrophobicContact CZ-CD1 4.01Å
195D97.9Very high96.2Very high55 Ų5558.4 Ų58.429%0.29432%0.323SS..  trans-140.5100.3-169.8179.4-17.6000106.9D197 H198 Y199 R335D195-D197 VanDerWaalsContact C-N 3.31Å; D195-D197 PolarHBondContact O-N 2.96Å; D195-D197 PolarHBondContact OD1-N 3.43Å; D195-H198 HydrophobicContact CB-CB 4.09Å; D195-H198 VanDerWaalsContact CG-CB 3.49Å; D195-H198 PolarHBondContact OD1-N 2.86Å; D195-H198 VanDerWaalsContact OD1-N 3.11Å; D195-H198 WeakPolarHBondContact OD2-CB 3.2Å; D195-Y199 WeakPolarHBondContact O-CB 3.3Å; D195-Y199 PolarHBondContact O-N 2.82Å; D195-R335 IonicContact OD2-NH1 2.68Å
196P96.8Very high96Very high49 Ų4955.7 Ų55.732%0.31831%0.313SS..Hα-helixtrans-61.8-36.9-176.2-24.534.5000113.1F194 Y199 L200 L422F194-P196 HydrophobicContact CD1-CG 4.27Å; F194-P196 HydrophobicContact CE1-CB 4.43Å; F194-P196 HydrophobicContact CE1-CG 3.91Å; P196-Y199 PolarHBondContact O-N 3.48Å; P196-L200 WeakPolarHBondContact O-CB 3.19Å; P196-L200 VanDerWaalsContact O-CG 3.32Å; P196-L200 WeakPolarHBondContact O-CG 3.29Å; P196-L200 PolarHBondContact O-N 2.88Å; P196-L422 HydrophobicContact CB-CD1 4.03Å; P196-L422 HydrophobicContact CB-CD2 4.03Å
197D96.3Very high95.9Very high129 Ų12961.6 Ų61.669%0.6934%0.341SS*.Hα-helixtrans-70.4-43.9-175.6-63.7-20.4000110.3D195 L200 A201D195-D197 VanDerWaalsContact C-N 3.31Å; D195-D197 PolarHBondContact O-N 2.96Å; D195-D197 PolarHBondContact OD1-N 3.43Å; D197-L200 PolarHBondContact O-N 3.11Å; D197-A201 PolarHBondContact O-N 3.05Å
198H96.3Very high95.7Very high70 Ų7060 Ų6032%0.32434%0.339SS..Hα-helixtrans-63.7-41.7173-166134.6000111.2D195 L200 A201 D202 L333 R335D195-H198 HydrophobicContact CB-CB 4.09Å; D195-H198 VanDerWaalsContact CG-CB 3.49Å; D195-H198 PolarHBondContact OD1-N 2.86Å; D195-H198 VanDerWaalsContact OD1-N 3.11Å; D195-H198 WeakPolarHBondContact OD2-CB 3.2Å; H198-L200 VanDerWaalsContact C-N 3.34Å; H198-L200 PolarHBondContact O-N 3Å; H198-A201 PolarHBondContact O-N 2.83Å; H198-D202 IonicContact CD2-OD2 3.87Å; H198-D202 PolarHBondContact CD2-OD2 3.41Å; H198-D202 IonicContact NE2-OD1 3.74Å; H198-D202 IonicContact NE2-OD2 2.81Å; H198-D202 PolarHBondContact NE2-OD2 2.96Å; H198-D202 PolarHBondContact O-N 2.99Å; H198-D202 VanDerWaalsContact O-N 3.07Å; H198-L333 PolarHBondContact NE2-O 3.4Å; H198-R335 VanDerWaalsContact CB-NH1 3.29Å; H198-R335 PolarHBondContact CE1-NH2 3.1Å; H198-R335 PolarHBondContact ND1-NH1 3.01Å; H198-R335 PolarHBondContact ND1-NH2 3.32Å
199Y97Very high95.6Very high0 Ų057.1 Ų57.10%032%0.315CS..Hα-helixtrans-59.5-44.1176175.3-104.4000112.4F194 D195 P196 D202 F203 L329 R335 L419 E423F194-Y199 HydrophobicContact CE2-CG 4.3Å; F194-Y199 HydrophobicContact CZ-CG 4.37Å; D195-Y199 WeakPolarHBondContact O-CB 3.3Å; D195-Y199 PolarHBondContact O-N 2.82Å; P196-Y199 PolarHBondContact O-N 3.48Å; Y199-D202 PolarHBondContact O-N 2.9Å; Y199-F203 WeakPolarHBondContact O-CB 3.45Å; Y199-F203 PolarHBondContact O-N 3.16Å; Y199-F203 VanDerWaalsContact O-N 3.08Å; Y199-L329 HydrophobicContact CD2-CD1 4.45Å; Y199-L329 HydrophobicContact CD2-CD2 4.03Å; Y199-L329 HydrophobicContact CE2-CD1 3.99Å; Y199-L329 HydrophobicContact CE2-CD2 3.77Å; Y199-L329 HydrophobicContact CE2-CG 4.41Å; Y199-R335 VanDerWaalsContact CD2-O 3.25Å; Y199-R335 WeakPolarHBondContact CD2-O 3.2Å; Y199-R335 WeakPolarHBondContact CE2-O 3.25Å; Y199-L419 HydrophobicContact CD1-CD2 4.03Å; Y199-L419 HydrophobicContact CD2-CD2 4.47Å; Y199-L419 HydrophobicContact CE1-CB 4.26Å; Y199-L419 HydrophobicContact CE1-CD2 3.81Å; Y199-L419 HydrophobicContact CE2-CD2 4.27Å; Y199-L419 HydrophobicContact CG-CD2 4.35Å; Y199-E423 HydrophobicContact CE1-CG 4.19Å; Y199-E423 PolarHBondContact OH-OE1 3.46Å
200L96.7Very high95.6Very high28 Ų2859.4 Ų59.415%0.14732%0.319CS..Hα-helixtrans-69.3-36.5178.4-71.2173.2000111.9P196 D197 H198 F203 F204 L422 A426P196-L200 WeakPolarHBondContact O-CB 3.19Å; P196-L200 VanDerWaalsContact O-CG 3.32Å; P196-L200 WeakPolarHBondContact O-CG 3.29Å; P196-L200 PolarHBondContact O-N 2.88Å; D197-L200 PolarHBondContact O-N 3.11Å; H198-L200 VanDerWaalsContact C-N 3.34Å; H198-L200 PolarHBondContact O-N 3Å; L200-F203 WeakPolarHBondContact O-CB 3.41Å; L200-F203 PolarHBondContact O-N 3.04Å; L200-F203 VanDerWaalsContact O-N 3.13Å; L200-F204 HydrophobicContact CD2-CE2 4.31Å; L200-F204 WeakPolarHBondContact O-CD2 3.44Å; L200-F204 PolarHBondContact O-N 3.07Å; L200-L422 HydrophobicContact CD2-CB 4.45Å; L200-A426 HydrophobicContact CD1-CB 4.05Å; L200-A426 HydrophobicContact CD2-CB 3.8Å
201A95.6Very high95.5Very high44 Ų4464.7 Ų64.736%0.36434%0.344SS..Hα-helixtrans-57.5-52.3172.200000111.4D197 H198 F203 F204 E205D197-A201 PolarHBondContact O-N 3.05Å; H198-A201 PolarHBondContact O-N 2.83Å; A201-F203 PolarHBondContact O-N 3.24Å; A201-F203 VanDerWaalsContact O-N 3.17Å; A201-F204 PolarHBondContact O-N 2.75Å; A201-E205 WeakPolarHBondContact O-CB 3.4Å; A201-E205 PolarHBondContact O-N 2.89Å
202D95.9Very high95.4Very high17 Ų1759.5 Ų59.59%0.09132%0.317CS..Hα-helixtrans-63.9-18.1175.8-80.9-39.8000113.9H198 Y199 I209 R335 H336H198-D202 IonicContact CD2-OD2 3.87Å; H198-D202 PolarHBondContact CD2-OD2 3.41Å; H198-D202 IonicContact NE2-OD1 3.74Å; H198-D202 IonicContact NE2-OD2 2.81Å; H198-D202 PolarHBondContact NE2-OD2 2.96Å; H198-D202 PolarHBondContact O-N 2.99Å; H198-D202 VanDerWaalsContact O-N 3.07Å; Y199-D202 PolarHBondContact O-N 2.9Å; D202-I209 HydrophobicContact CB-CD1 4.02Å; D202-I209 WeakPolarHBondContact O-CD1 3.39Å; D202-R335 WeakPolarHBondContact OD2-CA 3.46Å; D202-R335 VanDerWaalsContact OD2-CB 3.28Å; D202-R335 WeakPolarHBondContact OD2-CB 3.22Å; D202-R335 PolarHBondContact OD2-N 3.49Å; D202-H336 PolarHBondContact O-CD2 3.16Å; D202-H336 VanDerWaalsContact O-CD2 3.29Å
203F94.9Very high95.3Very high45 Ų4556.6 Ų56.620%0.19729%0.289CS..Hα-helixtrans-84.9-32.8176.8178-99000113Y199 L200 A201 H336 E423Y199-F203 WeakPolarHBondContact O-CB 3.45Å; Y199-F203 PolarHBondContact O-N 3.16Å; Y199-F203 VanDerWaalsContact O-N 3.08Å; L200-F203 WeakPolarHBondContact O-CB 3.41Å; L200-F203 PolarHBondContact O-N 3.04Å; L200-F203 VanDerWaalsContact O-N 3.13Å; A201-F203 PolarHBondContact O-N 3.24Å; A201-F203 VanDerWaalsContact O-N 3.17Å; F203-H336 AromaticContact CD2-NE2 3.87Å; F203-E423 HydrophobicContact CD1-CG 4.36Å; F203-E423 HydrophobicContact CD2-CG 4.18Å; F203-E423 HydrophobicContact CE1-CB 4.44Å; F203-E423 HydrophobicContact CE1-CG 4.07Å; F203-E423 HydrophobicContact CE2-CG 3.88Å; F203-E423 HydrophobicContact CG-CG 4.41Å; F203-E423 HydrophobicContact CZ-CB 4.27Å; F203-E423 HydrophobicContact CZ-CG 3.81Å
204F93.4Very high95.2Very high71 Ų7158.2 Ų58.231%0.31130%0.296SS..Hα-helixtrans-94.6-33.6178.5-70.6-68.2000113.7L200 A201 D206 A426 L427L200-F204 HydrophobicContact CD2-CE2 4.31Å; L200-F204 WeakPolarHBondContact O-CD2 3.44Å; L200-F204 PolarHBondContact O-N 3.07Å; A201-F204 PolarHBondContact O-N 2.75Å; F204-D206 PolarHBondContact O-N 2.91Å; F204-A426 HydrophobicContact CE2-CB 3.65Å; F204-A426 HydrophobicContact CZ-CB 3.74Å; F204-L427 HydrophobicContact CE1-CD2 4.01Å; F204-L427 HydrophobicContact CZ-CD2 4.42Å
205E92.7Very high95.1Very high144 Ų14459.2 Ų59.267%0.67330%0.299SS*.SBendtrans-98.353.6179.1-59.2-175.8-171.600110.2A201 E207A201-E205 WeakPolarHBondContact O-CB 3.4Å; A201-E205 PolarHBondContact O-N 2.89Å; E205-E207 VanDerWaalsContact C-N 3.33Å; E205-E207 VanDerWaalsContact C-OE2 3.29Å; E205-E207 PolarHBondContact O-N 3.44Å
206D92.3Very high94.9Very high30 Ų3061.6 Ų61.616%0.1631%0.312CS..THydrogen-bonded Turntrans-84.98.5-168.997.3-33.9000115.3F204 A208 I209 E210 K338F204-D206 PolarHBondContact O-N 2.91Å; D206-A208 PolarHBondContact O-N 3.05Å; D206-I209 HydrophobicContact CB-CB 4.37Å; D206-I209 HydrophobicContact CB-CD1 4.38Å; D206-I209 CarbonylContact O-C 3.55Å; D206-I209 WeakPolarHBondContact O-CB 3.22Å; D206-I209 PolarHBondContact O-N 2.92Å; D206-I209 VanDerWaalsContact O-N 3.12Å; D206-E210 PolarHBondContact O-N 3.17Å; D206-K338 IonicContact OD2-NZ 2.59Å; D206-K338 PolarHBondContact OD2-NZ 2.62Å
207E93.9Very high94.9Very high132 Ų13259.3 Ų59.362%0.61730%0.297SS*.Hα-helixtrans-61.4-41.1-176-63.294.4153.900113.4E205 E210 Q211E205-E207 VanDerWaalsContact C-N 3.33Å; E205-E207 VanDerWaalsContact C-OE2 3.29Å; E205-E207 PolarHBondContact O-N 3.44Å; E207-E210 PolarHBondContact O-N 2.94Å; E207-Q211 PolarHBondContact O-N 3.15Å
208A93Very high94.7Very high42 Ų4256.5 Ų56.535%0.34728%0.277SS..Hα-helixtrans-67.3-41.617600000111.1D206 E210 Q211 I212 Y334D206-A208 PolarHBondContact O-N 3.05Å; A208-E210 VanDerWaalsContact C-N 3.32Å; A208-E210 PolarHBondContact O-N 3.47Å; A208-Q211 PolarHBondContact O-N 3.49Å; A208-I212 WeakPolarHBondContact O-CG1 3.22Å; A208-I212 PolarHBondContact O-N 3Å; A208-I212 VanDerWaalsContact O-N 3.15Å; A208-Y334 HydrophobicContact CB-CE1 3.95Å
209I94.3Very high94.7Very high1 Ų153.1 Ų53.11%0.00526%0.261CS..Hα-helixtrans-63.9-38.2177.5-68.6153.2000110.6D202 D206 Q211 I212 L213 Y334 H336 L339D202-I209 HydrophobicContact CB-CD1 4.02Å; D202-I209 WeakPolarHBondContact O-CD1 3.39Å; D206-I209 HydrophobicContact CB-CB 4.37Å; D206-I209 HydrophobicContact CB-CD1 4.38Å; D206-I209 CarbonylContact O-C 3.55Å; D206-I209 WeakPolarHBondContact O-CB 3.22Å; D206-I209 PolarHBondContact O-N 2.92Å; D206-I209 VanDerWaalsContact O-N 3.12Å; I209-Q211 VanDerWaalsContact C-N 3.34Å; I209-Q211 PolarHBondContact O-N 3.42Å; I209-I212 PolarHBondContact O-N 3.12Å; I209-L213 HydrophobicContact CG2-CD1 3.86Å; I209-L213 HydrophobicContact CG2-CG 4.32Å; I209-L213 WeakPolarHBondContact O-CB 3.28Å; I209-L213 WeakPolarHBondContact O-CG 3.35Å; I209-L213 PolarHBondContact O-N 3.05Å; I209-Y334 HydrophobicContact CD1-CD1 4.39Å; I209-Y334 HydrophobicContact CG1-CD1 3.94Å; I209-Y334 HydrophobicContact CG1-CG 4.27Å; I209-H336 HydrophobicContact CD1-CB 3.81Å; I209-H336 HydrophobicContact CG1-CB 4.33Å; I209-H336 HydrophobicContact CG2-CB 3.93Å; I209-L339 HydrophobicContact CG1-CD1 4.41Å; I209-L339 HydrophobicContact CG2-CD1 4.18Å; I209-L339 HydrophobicContact CG2-CD2 4.39Å; I209-L339 HydrophobicContact CG2-CG 4.08Å
210E95.1Very high94.5Very high81 Ų8154.2 Ų54.238%0.37927%0.268SS..Hα-helixtrans-60.2-40.1174.2-80.5-135.9144.100112.7D206 E207 A208 L213 K214D206-E210 PolarHBondContact O-N 3.17Å; E207-E210 PolarHBondContact O-N 2.94Å; A208-E210 VanDerWaalsContact C-N 3.32Å; A208-E210 PolarHBondContact O-N 3.47Å; E210-L213 PolarHBondContact O-N 3.4Å; E210-K214 VanDerWaalsContact O-CD 3.23Å; E210-K214 WeakPolarHBondContact O-CD 3.23Å; E210-K214 WeakPolarHBondContact O-CE 3.47Å; E210-K214 WeakPolarHBondContact O-CG 3.34Å; E210-K214 PolarHBondContact O-N 3.39Å; E210-K214 VanDerWaalsContact O-N 3.11Å; E210-K214 IonicContact OE2-NZ 2.61Å; E210-K214 PolarHBondContact OE2-NZ 2.93Å
211Q94.8Very high94.2Very high111 Ų11157.6 Ų57.652%0.51929%0.286SS..Hα-helixtrans-66.1-46.5176.3-58.3-57.9-15.400110.9E207 A208 I209 L213 K214 Y215E207-Q211 PolarHBondContact O-N 3.15Å; A208-Q211 PolarHBondContact O-N 3.49Å; I209-Q211 VanDerWaalsContact C-N 3.34Å; I209-Q211 PolarHBondContact O-N 3.42Å; Q211-L213 PolarHBondContact O-N 2.99Å; Q211-K214 WeakPolarHBondContact O-CA 3.49Å; Q211-K214 WeakPolarHBondContact O-CB 3.31Å; Q211-K214 PolarHBondContact O-N 2.97Å; Q211-Y215 PolarHBondContact O-N 2.71Å
212I94.9Very high94Very high6 Ų657.3 Ų57.33%0.03128%0.277CS..Hα-helixtrans-58.2-33.9175.1-67.5165.5000112A208 I209 Y215 R287 V288 Y334 L339A208-I212 WeakPolarHBondContact O-CG1 3.22Å; A208-I212 PolarHBondContact O-N 3Å; A208-I212 VanDerWaalsContact O-N 3.15Å; I209-I212 PolarHBondContact O-N 3.12Å; I212-Y215 WeakPolarHBondContact O-CB 3.34Å; I212-R287 HydrophobicContact CG2-CB 4.01Å; I212-R287 PolarHBondContact O-NH1 3.37Å; I212-R287 VanDerWaalsContact O-NH1 3.12Å; I212-V288 HydrophobicContact CG2-CG2 4.3Å; I212-Y334 HydrophobicContact CD1-CD2 3.63Å; I212-Y334 HydrophobicContact CD1-CE2 3.45Å; I212-Y334 VanDerWaalsContact CD1-CE2 3.45Å; I212-Y334 HydrophobicContact CD1-CG 4.25Å; I212-L339 HydrophobicContact CB-CD2 4.42Å; I212-L339 HydrophobicContact CG2-CD2 3.56Å
213L94.7Very high93.7Very high26 Ų2658.8 Ų58.814%0.13628%0.282CS..Hα-helixtrans-74.1-27.4175.4-73.8168.4000113.5I209 E210 Q211 K338 L339 K342I209-L213 HydrophobicContact CG2-CD1 3.86Å; I209-L213 HydrophobicContact CG2-CG 4.32Å; I209-L213 WeakPolarHBondContact O-CB 3.28Å; I209-L213 WeakPolarHBondContact O-CG 3.35Å; I209-L213 PolarHBondContact O-N 3.05Å; E210-L213 PolarHBondContact O-N 3.4Å; Q211-L213 PolarHBondContact O-N 2.99Å; L213-K338 HydrophobicContact CD1-CB 3.67Å; L213-K338 HydrophobicContact CD1-CD 3.74Å; L213-K338 HydrophobicContact CD1-CG 4.32Å; L213-K338 HydrophobicContact CD2-CB 4.1Å; L213-L339 HydrophobicContact CD2-CD2 3.84Å; L213-L339 HydrophobicContact CG-CD2 4.02Å; L213-K342 HydrophobicContact CD2-CB 3.84Å; L213-K342 HydrophobicContact CD2-CD 4.27Å; L213-K342 HydrophobicContact CD2-CG 4.03Å; L213-K342 PolarHBondContact O-NZ 3.21Å
214K95.4Very high93.5Very high109 Ų10959.8 Ų59.847%0.47429%0.294SS..Hα-helixtrans-79-25.2175.2-69.1157.2-163.5163.60112.1E210 Q211E210-K214 VanDerWaalsContact O-CD 3.23Å; E210-K214 WeakPolarHBondContact O-CD 3.23Å; E210-K214 WeakPolarHBondContact O-CE 3.47Å; E210-K214 WeakPolarHBondContact O-CG 3.34Å; E210-K214 PolarHBondContact O-N 3.39Å; E210-K214 VanDerWaalsContact O-N 3.11Å; E210-K214 IonicContact OE2-NZ 2.61Å; E210-K214 PolarHBondContact OE2-NZ 2.93Å; Q211-K214 WeakPolarHBondContact O-CA 3.49Å; Q211-K214 WeakPolarHBondContact O-CB 3.31Å; Q211-K214 PolarHBondContact O-N 2.97Å
215Y95.9Very high93.2Very high53 Ų5361.9 Ų61.921%0.20830%0.303CS..  trans-53.5137.5173.7177.6-101.3000112.5Q211 I212 P217 R287 E290Q211-Y215 PolarHBondContact O-N 2.71Å; I212-Y215 WeakPolarHBondContact O-CB 3.34Å; Y215-P217 HydrophobicContact CD1-CG 3.83Å; Y215-P217 HydrophobicContact CE1-CB 3.89Å; Y215-P217 HydrophobicContact CE1-CG 3.6Å; Y215-P217 WeakPolarHBondContact O-CD 3.42Å; Y215-R287 PolarHBondContact O-NH1 3.05Å; Y215-R287 PolarHBondContact O-NH2 3.24Å; Y215-E290 HydrophobicContact CD2-CB 3.66Å; Y215-E290 HydrophobicContact CD2-CG 3.86Å; Y215-E290 HydrophobicContact CE2-CB 3.73Å; Y215-E290 HydrophobicContact CE2-CG 4.44Å; Y215-E290 WeakPolarHBondContact CE2-O 3.48Å; Y215-E290 HydrophobicContact CG-CB 4.18Å; Y215-E290 HydrophobicContact CG-CG 4.03Å; Y215-E290 PolarHBondContact OH-O 2.6Å
216N94.1Very high93Very high105 Ų10555.6 Ų55.656%0.56127%0.274SS*.  trans-115.998.3-178.9-74.6-49.5000110.6
217P94.9Very high92.6Very high1 Ų159 Ų591%0.00629%0.287CS..  trans-62.8157.3177.4-18.727.9000112.6Y215 W219 T220 T286 R287Y215-P217 HydrophobicContact CD1-CG 3.83Å; Y215-P217 HydrophobicContact CE1-CB 3.89Å; Y215-P217 HydrophobicContact CE1-CG 3.6Å; Y215-P217 WeakPolarHBondContact O-CD 3.42Å; P217-W219 HydrophobicContact CB-CD2 3.68Å; P217-W219 HydrophobicContact CB-CE3 3.9Å; P217-W219 HydrophobicContact CB-CG 4.41Å; P217-W219 HydrophobicContact CB-CH2 3.63Å; P217-W219 HydrophobicContact CB-CZ2 3.36Å; P217-W219 HydrophobicContact CB-CZ3 3.87Å; P217-W219 HydrophobicContact CG-CH2 4.02Å; P217-W219 HydrophobicContact CG-CZ2 3.45Å; P217-W219 VanDerWaalsContact CG-CZ2 3.45Å; P217-W219 PolarHBondContact O-N 3.17Å; P217-T220 VanDerWaalsContact O-CB 3.28Å; P217-T220 WeakPolarHBondContact O-CB 3.24Å; P217-T220 PolarHBondContact O-N 2.91Å; P217-T220 PolarHBondContact O-OG1 3.16Å; P217-T286 HydrophobicContact CB-CG2 4.42Å; P217-R287 HydrophobicContact CG-CG 4.31Å
218W94.1Very high92.2Very high70 Ų7054.6 Ų54.627%0.26527%0.273SS..THydrogen-bonded Turntrans-53.9-24.4-173.767.1-100.1000115.8T220 K222 V243 A357 K360W218-T220 VanDerWaalsContact C-N 3.35Å; W218-K222 HydrophobicContact CE3-CD 3.74Å; W218-K222 HydrophobicContact CZ3-CD 3.77Å; W218-V243 HydrophobicContact CZ3-CG1 4.43Å; W218-V243 HydrophobicContact CZ3-CG2 4.49Å; W218-A357 HydrophobicContact CH2-CB 4.22Å; W218-K360 HydrophobicContact CH2-CB 4.09Å; W218-K360 HydrophobicContact CH2-CD 3.82Å; W218-K360 HydrophobicContact CH2-CG 4.23Å; W218-K360 HydrophobicContact CZ2-CB 4.17Å; W218-K360 HydrophobicContact CZ2-CD 3.87Å; W218-K360 HydrophobicContact CZ2-CG 4.03Å; W218-K360 HydrophobicContact CZ3-CD 4.21Å
219W94.8Very high91.5Very high0 Ų058.8 Ų58.80%028%0.284CS..Hα-helixtrans-75.2-21.817754.276.8000113.2P217 D221 K222 Y223 Y282 T286 D346 I350 L353P217-W219 HydrophobicContact CB-CD2 3.68Å; P217-W219 HydrophobicContact CB-CE3 3.9Å; P217-W219 HydrophobicContact CB-CG 4.41Å; P217-W219 HydrophobicContact CB-CH2 3.63Å; P217-W219 HydrophobicContact CB-CZ2 3.36Å; P217-W219 HydrophobicContact CB-CZ3 3.87Å; P217-W219 HydrophobicContact CG-CH2 4.02Å; P217-W219 HydrophobicContact CG-CZ2 3.45Å; P217-W219 VanDerWaalsContact CG-CZ2 3.45Å; P217-W219 PolarHBondContact O-N 3.17Å; W219-D221 PolarHBondContact O-N 2.78Å; W219-K222 PolarHBondContact O-N 2.92Å; W219-Y223 WeakPolarHBondContact O-CB 3.36Å; W219-Y223 PolarHBondContact O-N 2.87Å; W219-Y282 HydrophobicContact CH2-CE1 4.42Å; W219-Y282 AromaticContact CZ3-CE1 3.92Å; W219-Y282 HydrophobicContact CZ3-CE1 3.92Å; W219-T286 HydrophobicContact CH2-CG2 3.69Å; W219-T286 HydrophobicContact CZ3-CG2 3.86Å; W219-D346 HydrophobicContact CZ2-CB 3.66Å; W219-D346 PolarHBondContact NE1-OD1 2.95Å; W219-I350 HydrophobicContact CB-CG1 4.13Å; W219-I350 HydrophobicContact CD2-CD1 3.73Å; W219-I350 HydrophobicContact CD2-CG1 3.82Å; W219-I350 HydrophobicContact CE3-CD1 3.75Å; W219-I350 HydrophobicContact CE3-CG1 4.13Å; W219-I350 HydrophobicContact CG-CD1 4.29Å; W219-I350 HydrophobicContact CG-CG1 3.84Å; W219-I350 HydrophobicContact CH2-CD1 4.16Å; W219-I350 HydrophobicContact CZ2-CD1 4.14Å; W219-I350 HydrophobicContact CZ3-CD1 3.98Å; W219-L353 HydrophobicContact CB-CD1 3.79Å
220T93.1Very high90.5Very high22 Ų2263.9 Ų63.914%0.13531%0.311CS..Hα-helixtrans-62.2-46.4-176.2-51.10000111.8P217 W218 S224P217-T220 VanDerWaalsContact O-CB 3.28Å; P217-T220 WeakPolarHBondContact O-CB 3.24Å; P217-T220 PolarHBondContact O-N 2.91Å; P217-T220 PolarHBondContact O-OG1 3.16Å; W218-T220 VanDerWaalsContact C-N 3.35Å; T220-S224 WeakPolarHBondContact O-CB 3.28Å; T220-S224 PolarHBondContact O-N 3.2Å; T220-S224 PolarHBondContact O-OG 2.81Å
221D90.2Very high89.1Confident99 Ų9966.6 Ų66.653%0.52932%0.323SS..Hα-helixtrans-66.6-42.8177.4-81.914.6000112.3W219 S224 K225W219-D221 PolarHBondContact O-N 2.78Å; D221-S224 PolarHBondContact O-N 3.41Å; D221-K225 WeakPolarHBondContact O-CB 3.48Å; D221-K225 WeakPolarHBondContact O-CD 3.49Å; D221-K225 VanDerWaalsContact O-CG 3.24Å; D221-K225 WeakPolarHBondContact O-CG 3.42Å; D221-K225 PolarHBondContact O-N 3.01Å
222K91.1Very high87.8Confident38 Ų3869.5 Ų69.517%0.16533%0.334CS..Hα-helixtrans-65.4-42.1178.9-68.5178.7-179.8172.40110.9W218 W219 K225 M226 L242 V243 L353W218-K222 HydrophobicContact CE3-CD 3.74Å; W218-K222 HydrophobicContact CZ3-CD 3.77Å; W219-K222 PolarHBondContact O-N 2.92Å; K222-K225 PolarHBondContact O-N 3.2Å; K222-M226 WeakPolarHBondContact O-CB 3.39Å; K222-M226 PolarHBondContact O-N 2.93Å; K222-L242 VanDerWaalsContact CD-O 3.26Å; K222-L242 WeakPolarHBondContact CD-O 3.48Å; K222-L242 WeakPolarHBondContact CE-O 3.44Å; K222-V243 HydrophobicContact CD-CG2 4.12Å; K222-L353 HydrophobicContact CB-CD1 4.23Å; K222-L353 HydrophobicContact CB-CD2 4.01Å
223Y90.7Very high85.7Confident49 Ų4972.5 Ų72.519%0.19236%0.355CS..Hα-helixtrans-64-45176.3179.7-97.1000111.4W219 K225 M226 K227 K349 Q352 L353W219-Y223 WeakPolarHBondContact O-CB 3.36Å; W219-Y223 PolarHBondContact O-N 2.87Å; Y223-K225 VanDerWaalsContact C-N 3.34Å; Y223-K225 PolarHBondContact O-N 2.87Å; Y223-M226 HydrophobicContact CD2-CE 3.78Å; Y223-M226 HydrophobicContact CE2-CE 3.82Å; Y223-M226 PolarHBondContact O-N 2.83Å; Y223-K227 HydrophobicContact CE1-CD 4.49Å; Y223-K227 WeakPolarHBondContact O-CB 3.33Å; Y223-K227 PolarHBondContact O-N 3.19Å; Y223-K349 HydrophobicContact CD1-CB 4.49Å; Y223-K349 HydrophobicContact CD1-CD 4.24Å; Y223-K349 HydrophobicContact CD1-CG 3.89Å; Y223-K349 HydrophobicContact CD2-CB 3.83Å; Y223-K349 HydrophobicContact CD2-CG 4Å; Y223-K349 HydrophobicContact CE1-CG 4.1Å; Y223-K349 HydrophobicContact CE2-CB 4.35Å; Y223-K349 HydrophobicContact CE2-CG 4.24Å; Y223-K349 HydrophobicContact CG-CB 3.93Å; Y223-K349 HydrophobicContact CG-CD 4.38Å; Y223-K349 HydrophobicContact CG-CG 3.84Å; Y223-Q352 HydrophobicContact CE2-CB 3.96Å; Y223-Q352 PolarHBondContact OH-OE1 2.96Å; Y223-L353 HydrophobicContact CD2-CG 4.42Å
224S90.2Very high83.4Confident66 Ų6680.9 Ų80.946%0.46239%0.394SS..Hα-helixtrans-61.4-41.8176.8-56.70000111.9T220 D221 A228T220-S224 WeakPolarHBondContact O-CB 3.28Å; T220-S224 PolarHBondContact O-N 3.2Å; T220-S224 PolarHBondContact O-OG 2.81Å; D221-S224 PolarHBondContact O-N 3.41Å; S224-A228 WeakPolarHBondContact O-CB 3.49Å; S224-A228 PolarHBondContact O-N 3.22Å
225K87.9Confident81Confident115 Ų11584.2 Ų84.250%0.541%0.411SS..Hα-helixtrans-62.5-49.4172.7-71.9163.4-1731670111.5D221 K222 Y223 K227 A228 F229 L242D221-K225 WeakPolarHBondContact O-CB 3.48Å; D221-K225 WeakPolarHBondContact O-CD 3.49Å; D221-K225 VanDerWaalsContact O-CG 3.24Å; D221-K225 WeakPolarHBondContact O-CG 3.42Å; D221-K225 PolarHBondContact O-N 3.01Å; K222-K225 PolarHBondContact O-N 3.2Å; Y223-K225 VanDerWaalsContact C-N 3.34Å; Y223-K225 PolarHBondContact O-N 2.87Å; K225-K227 PolarHBondContact O-N 3.33Å; K225-A228 PolarHBondContact O-N 3.14Å; K225-F229 WeakPolarHBondContact O-CD2 3.38Å; K225-F229 PolarHBondContact O-N 3.05Å; K225-L242 HydrophobicContact CB-CD2 4.35Å
226M87.3Confident78.7Confident11 Ų1190 Ų905%0.05444%0.44CS..Hα-helixtrans-56.4-47.8178.2-174.4-171.97300111.7K222 Y223 A228 F229 L230 L242 Q352 L353K222-M226 WeakPolarHBondContact O-CB 3.39Å; K222-M226 PolarHBondContact O-N 2.93Å; Y223-M226 HydrophobicContact CD2-CE 3.78Å; Y223-M226 HydrophobicContact CE2-CE 3.82Å; Y223-M226 PolarHBondContact O-N 2.83Å; M226-A228 PolarHBondContact O-N 2.74Å; M226-F229 PolarHBondContact O-N 2.68Å; M226-F229 VanDerWaalsContact O-N 3.11Å; M226-L230 HydrophobicContact CE-CD1 4.29Å; M226-L230 HydrophobicContact CG-CD1 4.03Å; M226-L230 PolarHBondContact O-N 2.85Å; M226-L242 HydrophobicContact CB-CD1 3.75Å; M226-L242 HydrophobicContact CB-CD2 4.35Å; M226-L242 HydrophobicContact CG-CD1 3.71Å; M226-L242 HydrophobicContact SD-CD1 4.36Å; M226-Q352 HydrophobicContact CE-CB 4.23Å; M226-Q352 WeakPolarHBondContact CE-O 3.43Å; M226-L353 HydrophobicContact CB-CD2 4.24Å; M226-L353 HydrophobicContact CE-CD2 4.48Å; M226-L353 HydrophobicContact SD-CD2 3.89Å
227K84.9Confident76.4Confident103 Ų10393.2 Ų93.245%0.44845%0.452SS..Hα-helixtrans-61.8-43.2178.6-169.6178.2178.6-171.30111.8Y223 K225 F229 L230 E231Y223-K227 HydrophobicContact CE1-CD 4.49Å; Y223-K227 WeakPolarHBondContact O-CB 3.33Å; Y223-K227 PolarHBondContact O-N 3.19Å; K225-K227 PolarHBondContact O-N 3.33Å; K227-F229 PolarHBondContact O-N 3.24Å; K227-L230 PolarHBondContact O-N 2.84Å; K227-E231 VanDerWaalsContact CE-OE1 3.23Å; K227-E231 WeakPolarHBondContact CE-OE1 3.37Å; K227-E231 WeakPolarHBondContact O-CG 3.4Å; K227-E231 PolarHBondContact O-N 3.41Å
228A84.4Confident74Confident39 Ų39100.3 Ų100.332%0.32249%0.49SS..Hα-helixtrans-67.1-18.5175.800000114.3S224 K225 M226 K232S224-A228 WeakPolarHBondContact O-CB 3.49Å; S224-A228 PolarHBondContact O-N 3.22Å; K225-A228 PolarHBondContact O-N 3.14Å; M226-A228 PolarHBondContact O-N 2.74Å; A228-K232 WeakPolarHBondContact O-CD 3.34Å; A228-K232 WeakPolarHBondContact O-CG 3.39Å
229F78.6Confident71.9Confident130 Ų130100.2 Ų100.257%0.5749%0.492SS*.Hα-helixtrans-83.5-43.3169.1-78.9-66.3000112K225 M226 K227 E231 K232 S233K225-F229 WeakPolarHBondContact O-CD2 3.38Å; K225-F229 PolarHBondContact O-N 3.05Å; M226-F229 PolarHBondContact O-N 2.68Å; M226-F229 VanDerWaalsContact O-N 3.11Å; K227-F229 PolarHBondContact O-N 3.24Å; F229-E231 PolarHBondContact O-N 3.46Å; F229-K232 CarbonylContact O-C 3.53Å; F229-K232 PolarHBondContact O-N 3.28Å; F229-S233 PolarHBondContact O-N 3.01Å
230L74.4Confident69.6Low108 Ų108103.8 Ų103.857%0.56552%0.522SS*.Hα-helixtrans-57.8-35.2173.9-85.8151.1000112.6M226 K227 K232M226-L230 HydrophobicContact CE-CD1 4.29Å; M226-L230 HydrophobicContact CG-CD1 4.03Å; M226-L230 PolarHBondContact O-N 2.85Å; K227-L230 PolarHBondContact O-N 2.84Å; L230-K232 PolarHBondContact O-N 3.16Å
231E65.8Low67.9Low137 Ų137107 Ų10764%0.6455%0.551SS**THydrogen-bonded Turntrans-72.4-7.6174.7-71.4170.3-173.200113.9K227 F229K227-E231 VanDerWaalsContact CE-OE1 3.23Å; K227-E231 WeakPolarHBondContact CE-OE1 3.37Å; K227-E231 WeakPolarHBondContact O-CG 3.4Å; K227-E231 PolarHBondContact O-N 3.41Å; F229-E231 PolarHBondContact O-N 3.46Å
232K66.3Low67.2Low173 Ų173104.3 Ų104.375%0.75254%0.536SS*.THydrogen-bonded Turntrans-123.5-21.8-174.4-69.8-179.9-175.1172.10115.2A228 F229 L230A228-K232 WeakPolarHBondContact O-CD 3.34Å; A228-K232 WeakPolarHBondContact O-CG 3.39Å; F229-K232 CarbonylContact O-C 3.53Å; F229-K232 PolarHBondContact O-N 3.28Å; L230-K232 PolarHBondContact O-N 3.16Å
233S51.3Low66.7Low68 Ų68102.8 Ų102.848%0.47653%0.53SS..  trans-128.9120.2-174.4-59.50000110.3F229 E235F229-S233 PolarHBondContact O-N 3.01Å; S233-E235 PolarHBondContact O-N 3.33Å
234Q45.8Very low66.5Low203 Ų203104.8 Ų104.895%0.94955%0.551SS**  trans-88.915.3-179.7-150.3173.56.300112.9
235E45.3Very low66.4Low178 Ų178103.9 Ų103.983%0.83254%0.539SS*.  trans-109.7116.1-178.9-70178.9164.300109.8S233S233-E235 PolarHBondContact O-N 3.33Å
236E48.5Very low66.4Low176 Ų176100.4 Ų100.482%0.82253%0.529SS*.  trans-68.7160.8173.9-61.5-177.413500111.5
237E44.4Very low66.3Low171 Ų171105.2 Ų105.280%0.79955%0.551SS**  trans119.8-24.3155.5-61.1-160138.800119.2H239E237-H239 VanDerWaalsContact C-N 3.31Å; E237-H239 PolarHBondContact O-N 3.24Å; E237-H239 VanDerWaalsContact O-N 3.09Å
238N45.4Very low66.4Low150 Ų150106.7 Ų106.780%0.80256%0.56SS**G310 helixtrans-87.335.9-178.1-82.7-53.5000116.4A240N238-A240 PolarHBondContact O-N 2.83Å
239H49.1Very low66.5Low69 Ų69105.9 Ų105.932%0.31955%0.549SS..G310 helixtrans-64-23.4175.5-76.7-90.9000114E237 A241E237-H239 VanDerWaalsContact C-N 3.31Å; E237-H239 PolarHBondContact O-N 3.24Å; E237-H239 VanDerWaalsContact O-N 3.09Å; H239-A241 VanDerWaalsContact C-N 3.25Å; H239-A241 PolarHBondContact O-N 3.03Å
240A47.5Very low66.8Low75 Ų75103.3 Ų103.362%0.6254%0.538SS*.G310 helixtrans-64.2-24-174.200000114.4N238N238-A240 PolarHBondContact O-N 2.83Å
241A57.2Low67Low90 Ų90105.1 Ų105.174%0.74454%0.538SS*.G310 helixtrans-83-11.9-172.700000115H239H239-A241 VanDerWaalsContact C-N 3.25Å; H239-A241 PolarHBondContact O-N 3.03Å
242L74.6Confident67.9Low41 Ų41100.3 Ų100.322%0.21552%0.516CS..G310 helixtrans-78.5-22-174.1-80.2151.4000114.1K222 K225 M226K222-L242 VanDerWaalsContact CD-O 3.26Å; K222-L242 WeakPolarHBondContact CD-O 3.48Å; K222-L242 WeakPolarHBondContact CE-O 3.44Å; K225-L242 HydrophobicContact CB-CD2 4.35Å; M226-L242 HydrophobicContact CB-CD1 3.75Å; M226-L242 HydrophobicContact CB-CD2 4.35Å; M226-L242 HydrophobicContact CG-CD1 3.71Å; M226-L242 HydrophobicContact SD-CD1 4.36Å
243V81.8Confident68.8Low7 Ų793.8 Ų93.84%0.04249%0.489CS..  trans-125.8107.3-176.3-175.60000110.1W218 K222 A357 K360W218-V243 HydrophobicContact CZ3-CG1 4.43Å; W218-V243 HydrophobicContact CZ3-CG2 4.49Å; K222-V243 HydrophobicContact CD-CG2 4.12Å; V243-A357 HydrophobicContact CG2-CB 4.05Å; V243-K360 HydrophobicContact CG1-CB 4.25Å; V243-K360 HydrophobicContact CG1-CD 3.89Å
244S85.4Confident70.3Confident91 Ų9199.9 Ų99.964%0.63650%0.502SS*.PPolyproline II helixtrans-86.8150.1169.250.40000112.2
245F89.6Confident71.9Confident46 Ų4695.8 Ų95.820%0.20248%0.481CS..PPolyproline II helixtrans-102.3145.8172.1-60.5-74.3000111.2E249 K250 L359 K360 L363F245-E249 WeakPolarHBondContact CA-OE2 3.44Å; F245-E249 HydrophobicContact CB-CB 4.06Å; F245-E249 HydrophobicContact CD1-CB 4.36Å; F245-K250 HydrophobicContact CB-CG 4.15Å; F245-K250 WeakPolarHBondContact O-CE 3.47Å; F245-K250 PolarHBondContact O-NZ 3.35Å; F245-L359 HydrophobicContact CE1-CB 4.43Å; F245-L359 HydrophobicContact CE1-CD2 4.29Å; F245-L359 HydrophobicContact CE1-CG 4.17Å; F245-L359 HydrophobicContact CZ-CB 4.34Å; F245-L359 HydrophobicContact CZ-CD2 3.88Å; F245-L359 HydrophobicContact CZ-CG 4.19Å; F245-K360 HydrophobicContact CE1-CB 4.05Å; F245-L363 HydrophobicContact CD1-CD1 4.04Å; F245-L363 HydrophobicContact CE1-CD1 4.07Å
246S87.8Confident73.6Confident43 Ų4388.9 Ų88.930%0.30145%0.448SS..PPolyproline II helixtrans-73.1172.9171.185.70000111.8E248 E249 K250S246-E248 VanDerWaalsContact C-N 3.35Å; S246-E248 WeakPolarHBondContact CB-OE2 3.34Å; S246-E248 PolarHBondContact OG-N 3.38Å; S246-E248 PolarHBondContact OG-OE2 3.06Å; S246-E249 PolarHBondContact N-OE2 3.11Å; S246-E249 PolarHBondContact OG-N 3.43Å; S246-K250 WeakPolarHBondContact O-CD 3.42Å; S246-K250 VanDerWaalsContact O-CG 3.22Å; S246-K250 WeakPolarHBondContact O-CG 3.26Å; S246-K250 PolarHBondContact O-N 2.96Å
247E84.9Confident74.9Confident112 Ų11285.4 Ų85.452%0.52344%0.438SS..Hα-helixtrans-71.7-31177.2-64.5-51128.700112.3K250 Y251E247-K250 PolarHBondContact O-N 3.37Å; E247-K250 IonicContact OE1-NZ 3.95Å; E247-K250 PolarHBondContact OE1-NZ 3.01Å; E247-Y251 VanDerWaalsContact O-CB 3.28Å; E247-Y251 WeakPolarHBondContact O-CB 3.48Å; E247-Y251 PolarHBondContact O-N 2.97Å
248E85.7Confident76.5Confident134 Ų13483.3 Ų83.363%0.62643%0.433SS*.Hα-helixtrans-66.7-44174.3-54.169.3-14800110.7S246 Y251 Q252S246-E248 VanDerWaalsContact C-N 3.35Å; S246-E248 WeakPolarHBondContact CB-OE2 3.34Å; S246-E248 PolarHBondContact OG-N 3.38Å; S246-E248 PolarHBondContact OG-OE2 3.06Å; E248-Y251 PolarHBondContact O-N 3.35Å; E248-Q252 PolarHBondContact O-N 3.29Å
249E88.3Confident78Confident22 Ų2280.1 Ų80.110%0.10341%0.412CS..Hα-helixtrans-61.1-46.4174.2-73.4174.9158.300111.2F245 S246 Y251 Q252 L253 K360 L363F245-E249 WeakPolarHBondContact CA-OE2 3.44Å; F245-E249 HydrophobicContact CB-CB 4.06Å; F245-E249 HydrophobicContact CD1-CB 4.36Å; S246-E249 PolarHBondContact N-OE2 3.11Å; S246-E249 PolarHBondContact OG-N 3.43Å; E249-Y251 VanDerWaalsContact C-N 3.32Å; E249-Y251 PolarHBondContact O-N 3.05Å; E249-Q252 PolarHBondContact O-N 3.49Å; E249-L253 VanDerWaalsContact O-CG 3.3Å; E249-L253 WeakPolarHBondContact O-CG 3.37Å; E249-L253 PolarHBondContact O-N 2.96Å; E249-K360 IonicContact OE1-NZ 2.68Å; E249-K360 PolarHBondContact OE1-NZ 3.5Å; E249-K360 IonicContact OE2-NZ 3.91Å; E249-K360 PolarHBondContact OE2-NZ 3.2Å; E249-L363 HydrophobicContact CB-CD1 4.02Å; E249-L363 HydrophobicContact CG-CD1 4.23Å
250K83.2Confident79.3Confident76 Ų7681.2 Ų81.233%0.3343%0.427SS..Hα-helixtrans-62.9-36.4174.2-70.1166.8-164.1167.90112.5F245 S246 E247 R254F245-K250 HydrophobicContact CB-CG 4.15Å; F245-K250 WeakPolarHBondContact O-CE 3.47Å; F245-K250 PolarHBondContact O-NZ 3.35Å; S246-K250 WeakPolarHBondContact O-CD 3.42Å; S246-K250 VanDerWaalsContact O-CG 3.22Å; S246-K250 WeakPolarHBondContact O-CG 3.26Å; S246-K250 PolarHBondContact O-N 2.96Å; E247-K250 PolarHBondContact O-N 3.37Å; E247-K250 IonicContact OE1-NZ 3.95Å; E247-K250 PolarHBondContact OE1-NZ 3.01Å; K250-R254 WeakPolarHBondContact O-CG 3.05Å; K250-R254 PolarHBondContact O-N 3.04Å
251Y80.2Confident80.9Confident145 Ų14579.3 Ų79.357%0.56940%0.404SS*.Hα-helixtrans-67.7-43177.3176.6-108.2000111.2E247 E248 E249 R254E247-Y251 VanDerWaalsContact O-CB 3.28Å; E247-Y251 WeakPolarHBondContact O-CB 3.48Å; E247-Y251 PolarHBondContact O-N 2.97Å; E248-Y251 PolarHBondContact O-N 3.35Å; E249-Y251 VanDerWaalsContact C-N 3.32Å; E249-Y251 PolarHBondContact O-N 3.05Å; Y251-R254 PolarHBondContact O-N 3.02Å
252Q84.4Confident82Confident36 Ų3683.2 Ų83.217%0.16841%0.412CS..Hα-helixtrans-65.2-40.5174.8-171.260.518.900111.8E248 E249 R254 K255 F256 L363 H366E248-Q252 PolarHBondContact O-N 3.29Å; E249-Q252 PolarHBondContact O-N 3.49Å; Q252-R254 PolarHBondContact O-N 3.46Å; Q252-K255 WeakPolarHBondContact O-CB 3.5Å; Q252-K255 PolarHBondContact O-N 2.97Å; Q252-F256 HydrophobicContact CG-CE2 4.19Å; Q252-F256 HydrophobicContact CG-CZ 3.93Å; Q252-L363 HydrophobicContact CB-CD2 4.46Å; Q252-L363 HydrophobicContact CG-CD2 4.32Å; Q252-H366 PolarHBondContact NE2-CE1 3.25Å; Q252-H366 PolarHBondContact NE2-NE2 2.73Å; Q252-H366 VanDerWaalsContact NE2-NE2 3.19Å
253L84.7Confident82.5Confident37 Ų3782.7 Ų82.719%0.19441%0.409CS..Hα-helixtrans-57.6-33.3174.4-74.6170.3000113.2E249 K255 F256 L359 L363E249-L253 VanDerWaalsContact O-CG 3.3Å; E249-L253 WeakPolarHBondContact O-CG 3.37Å; E249-L253 PolarHBondContact O-N 2.96Å; L253-K255 VanDerWaalsContact C-N 3.29Å; L253-K255 PolarHBondContact O-N 3.13Å; L253-F256 HydrophobicContact CD2-CD2 4.13Å; L253-F256 HydrophobicContact CD2-CE2 4.23Å; L253-F256 PolarHBondContact O-N 3.47Å; L253-L359 HydrophobicContact CD2-CD1 4.14Å; L253-L359 HydrophobicContact CD2-CD2 4.06Å; L253-L359 HydrophobicContact CD2-CG 4.42Å; L253-L363 HydrophobicContact CD1-CD1 4.1Å; L253-L363 HydrophobicContact CD2-CD1 4.17Å; L253-L363 HydrophobicContact CD2-CD2 4.04Å; L253-L363 HydrophobicContact CG-CD1 4.02Å; L253-L363 HydrophobicContact CG-CD2 4.14Å
254R82.4Confident82.5Confident195 Ų19586.9 Ų86.974%0.73643%0.431SS*.Hα-helixtrans-72.1-17.7175.4-67.4171-157.8-155.69.2114K250 Y251 Q252K250-R254 WeakPolarHBondContact O-CG 3.05Å; K250-R254 PolarHBondContact O-N 3.04Å; Y251-R254 PolarHBondContact O-N 3.02Å; Q252-R254 PolarHBondContact O-N 3.46Å
255K80.3Confident82.4Confident117 Ų11787.8 Ų87.851%0.50942%0.424SS..Hα-helixtrans-82.6-24.9175.7-62.7-173.6-166.4158.10112.8Q252 L253 V257Q252-K255 WeakPolarHBondContact O-CB 3.5Å; Q252-K255 PolarHBondContact O-N 2.97Å; L253-K255 VanDerWaalsContact C-N 3.29Å; L253-K255 PolarHBondContact O-N 3.13Å; K255-V257 PolarHBondContact O-N 3.35Å
256F80Confident82.2Confident33 Ų3391.9 Ų91.915%0.14544%0.441CS..SBendtrans-70.5132.4179.3-61.5-50.3000111.1Q252 L253 L363 H366 C387 V388Q252-F256 HydrophobicContact CG-CE2 4.19Å; Q252-F256 HydrophobicContact CG-CZ 3.93Å; L253-F256 HydrophobicContact CD2-CD2 4.13Å; L253-F256 HydrophobicContact CD2-CE2 4.23Å; L253-F256 PolarHBondContact O-N 3.47Å; F256-L363 HydrophobicContact CE2-CD2 3.78Å; F256-L363 HydrophobicContact CZ-CD2 4.33Å; F256-H366 AromaticContact CE1-CD2 3.66Å; F256-H366 AromaticContact CE1-NE2 3.54Å; F256-H366 AromaticContact CZ-CD2 3.51Å; F256-H366 AromaticContact CZ-NE2 3.76Å; F256-C387 HydrophobicContact CD2-CB 4.11Å; F256-C387 HydrophobicContact CE2-CB 3.6Å; F256-C387 HydrophobicContact CZ-CB 3.87Å; F256-V388 HydrophobicContact CB-CG2 3.73Å; F256-V388 HydrophobicContact CG-CG2 4.22Å
257V76.8Confident82.1Confident103 Ų10390.1 Ų90.162%0.62443%0.429SS*.  trans-76.7130.2171.8-177.80000108.6K255 K259K255-V257 PolarHBondContact O-N 3.35Å; V257-K259 PolarHBondContact O-N 2.92Å; V257-K259 VanDerWaalsContact O-N 3.09Å
258N76.8Confident82.2Confident128 Ų12886.8 Ų86.868%0.68442%0.418SS*.  trans-67.4107.7172.7-177.92.2000109.7K392N258-K392 WeakPolarHBondContact OD1-CE 3.4Å; N258-K392 PolarHBondContact OD1-NZ 3.06Å
259K77.7Confident82.3Confident83 Ų8387 Ų8736%0.36141%0.413SS..  trans-106.8138.1175.7-58.5178.8-162.9167.30109.7V257 Y261 D385 V388 K392V257-K259 PolarHBondContact O-N 2.92Å; V257-K259 VanDerWaalsContact O-N 3.09Å; K259-Y261 HydrophobicContact CB-CE1 4.26Å; K259-Y261 HydrophobicContact CB-CE2 4.12Å; K259-Y261 HydrophobicContact CD-CE1 4.23Å; K259-D385 IonicContact NZ-OD1 2.7Å; K259-D385 PolarHBondContact NZ-OD1 2.96Å; K259-D385 IonicContact NZ-OD2 3.97Å; K259-V388 HydrophobicContact CB-CG1 4.39Å; K259-K392 PolarHBondContact O-NZ 2.84Å
260S77.3Confident82.4Confident92 Ų9287.2 Ų87.264%0.64341%0.414SS*.  trans-85.9139.9158.342.80000108.8
261Y80.9Confident82.9Confident35 Ų3583.6 Ų83.614%0.13740%0.398CS..  trans-113.8114.4177.5-58.5-84.6000108.8F150 L153 K259 L263 D385 V388 W389F150-Y261 HydrophobicContact CD1-CD1 4.13Å; F150-Y261 HydrophobicContact CD1-CE1 4.09Å; F150-Y261 AromaticContact CE1-CD1 3.67Å; F150-Y261 HydrophobicContact CE1-CD1 3.67Å; F150-Y261 HydrophobicContact CE1-CD2 4.33Å; F150-Y261 AromaticContact CE1-CE1 3.9Å; F150-Y261 HydrophobicContact CE1-CE1 3.9Å; F150-Y261 AromaticContact CE1-CG 3.91Å; F150-Y261 HydrophobicContact CE1-CG 3.91Å; L153-Y261 HydrophobicContact CD1-CD1 4.06Å; K259-Y261 HydrophobicContact CB-CE1 4.26Å; K259-Y261 HydrophobicContact CB-CE2 4.12Å; K259-Y261 HydrophobicContact CD-CE1 4.23Å; Y261-L263 PolarHBondContact O-N 2.97Å; Y261-D385 HydrophobicContact CE1-CB 4.05Å; Y261-D385 VanDerWaalsContact OH-CA 3.27Å; Y261-D385 WeakPolarHBondContact OH-CA 3.43Å; Y261-D385 WeakPolarHBondContact OH-CB 3.45Å; Y261-D385 VanDerWaalsContact OH-CG 3.24Å; Y261-D385 PolarHBondContact OH-O 3.06Å; Y261-D385 PolarHBondContact OH-OD1 3.44Å; Y261-V388 HydrophobicContact CE2-CB 4.27Å; Y261-V388 HydrophobicContact CE2-CG1 3.98Å; Y261-W389 HydrophobicContact CD2-CB 4.06Å; Y261-W389 HydrophobicContact CE2-CB 3.89Å
262L79.6Confident83.6Confident171 Ų17178.6 Ų78.690%0.89538%0.379SS*.  trans-84.187.4171.4-62.9177.8000108
263L83.9Confident84.1Confident31 Ų3179.3 Ų79.316%0.16238%0.38CS..  trans-98.5135.1179.1-60.1179.9000110F150 L153 Y261 A267 C268 V271F150-L263 HydrophobicContact CE1-CD1 4.25Å; F150-L263 HydrophobicContact CE1-CD2 4.44Å; F150-L263 HydrophobicContact CZ-CD1 4.38Å; L153-L263 HydrophobicContact CD1-CD2 4.05Å; L153-L263 HydrophobicContact CD2-CD2 4.49Å; L153-L263 HydrophobicContact CG-CD2 4.45Å; Y261-L263 PolarHBondContact O-N 2.97Å; L263-A267 HydrophobicContact CB-CB 4.23Å; L263-A267 HydrophobicContact CD2-CB 4.06Å; L263-C268 WeakPolarHBondContact CB-SG 3.49Å; L263-V271 HydrophobicContact CD1-CG2 4.08Å
264D83.1Confident84.7Confident95 Ų9578.1 Ų78.151%0.50838%0.375SS..  trans-76.2168.6169.685-57.5000110.7K266 A267 C268D264-K266 PolarHBondContact O-N 2.89Å; D264-K266 WeakPolarHBondContact OD2-CB 3.32Å; D264-K266 PolarHBondContact OD2-N 3.01Å; D264-A267 PolarHBondContact O-N 3.01Å; D264-A267 WeakPolarHBondContact OD1-CB 3.4Å; D264-A267 PolarHBondContact OD1-N 3.5Å; D264-C268 WeakPolarHBondContact O-CB 3.37Å; D264-C268 PolarHBondContact O-N 3.37Å
265K83Confident85.4Confident109 Ų10968.8 Ų68.847%0.47434%0.34SS..Hα-helixtrans-60.5-21.7-179.4-63.9-169.8-166.8159.30113.5E130 R269E130-K265 IonicContact OE1-NZ 2.92Å; E130-K265 VanDerWaalsContact OE2-CD 3.26Å; E130-K265 WeakPolarHBondContact OE2-CD 3.23Å; E130-K265 VanDerWaalsContact OE2-CE 3.23Å; E130-K265 WeakPolarHBondContact OE2-CE 3.44Å; E130-K265 IonicContact OE2-NZ 3.78Å; E130-K265 PolarHBondContact OE2-NZ 3.14Å; K265-R269 PolarHBondContact O-N 3.45Å; K265-R269 PolarHBondContact O-NE 2.88Å
266K84.9Confident86.2Confident133 Ų13363.2 Ų63.258%0.57832%0.316SS*.Hα-helixtrans-78-52.4174.1-168.4-176.3174.2-172.70110.8D264 C268 R269 Q270D264-K266 PolarHBondContact O-N 2.89Å; D264-K266 WeakPolarHBondContact OD2-CB 3.32Å; D264-K266 PolarHBondContact OD2-N 3.01Å; K266-C268 VanDerWaalsContact C-N 3.33Å; K266-C268 PolarHBondContact O-N 2.91Å; K266-R269 PolarHBondContact O-N 3.02Å; K266-Q270 WeakPolarHBondContact O-CG 3.41Å; K266-Q270 PolarHBondContact O-N 3.38Å
267A86.1Confident87Confident5 Ų561.7 Ų61.74%0.04131%0.309CS..Hα-helixtrans-61.7-39.7177.500000111.9L263 D264 R269 Q270 V271L263-A267 HydrophobicContact CB-CB 4.23Å; L263-A267 HydrophobicContact CD2-CB 4.06Å; D264-A267 PolarHBondContact O-N 3.01Å; D264-A267 WeakPolarHBondContact OD1-CB 3.4Å; D264-A267 PolarHBondContact OD1-N 3.5Å; A267-R269 PolarHBondContact O-N 3.38Å; A267-Q270 PolarHBondContact O-N 2.79Å; A267-V271 WeakPolarHBondContact O-CB 3.38Å; A267-V271 VanDerWaalsContact O-CG2 3.29Å; A267-V271 WeakPolarHBondContact O-CG2 3.4Å; A267-V271 PolarHBondContact O-N 2.81Å
268C87.3Confident88.1Confident43 Ų4356.8 Ų56.829%0.29128%0.279SS..Hα-helixtrans-52.9-53.5171.8-82.10000112L263 D264 K266 Q270 V271 Y272L263-C268 WeakPolarHBondContact CB-SG 3.49Å; D264-C268 WeakPolarHBondContact O-CB 3.37Å; D264-C268 PolarHBondContact O-N 3.37Å; K266-C268 VanDerWaalsContact C-N 3.33Å; K266-C268 PolarHBondContact O-N 2.91Å; C268-Q270 PolarHBondContact O-N 2.81Å; C268-V271 PolarHBondContact O-N 2.84Å; C268-Y272 WeakPolarHBondContact O-CD2 3.5Å; C268-Y272 PolarHBondContact O-N 2.86Å; C268-Y272 VanDerWaalsContact O-N 3.12Å
269R88Confident89.1Confident139 Ų13950.7 Ų50.753%0.52525%0.246SC..Hα-helixtrans-61.6-42.3178-78.5-177.6-75.7-166.9-2112.2K265 K266 A267 V271 Y272 Y273K265-R269 PolarHBondContact O-N 3.45Å; K265-R269 PolarHBondContact O-NE 2.88Å; K266-R269 PolarHBondContact O-N 3.02Å; A267-R269 PolarHBondContact O-N 3.38Å; R269-V271 VanDerWaalsContact C-N 3.35Å; R269-V271 PolarHBondContact O-N 2.78Å; R269-Y272 PolarHBondContact O-N 3.34Å; R269-Y273 HydrophobicContact CB-CE2 4.45Å; R269-Y273 WeakPolarHBondContact O-CD2 3.48Å; R269-Y273 PolarHBondContact O-N 2.96Å
270Q90.3Very high90.1Very high26 Ų2646.7 Ų46.712%0.12123%0.229CC..Hα-helixtrans-59.4-44176.4-72.7176-30.200112N152 K266 A267 C268 Y273 S274N152-Q270 PolarHBondContact ND2-OE1 2.98Å; K266-Q270 WeakPolarHBondContact O-CG 3.41Å; K266-Q270 PolarHBondContact O-N 3.38Å; A267-Q270 PolarHBondContact O-N 2.79Å; C268-Q270 PolarHBondContact O-N 2.81Å; Q270-Y273 PolarHBondContact O-N 3.16Å; Q270-S274 PolarHBondContact O-N 2.93Å; Q270-S274 PolarHBondContact O-OG 2.97Å
271V94.1Very high91.1Very high0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-62.7-45178.1169.80000111.5F150 L263 A267 C268 R269 Y273 L275 Y386 W389F150-V271 HydrophobicContact CD2-CG1 4.42Å; F150-V271 HydrophobicContact CD2-CG2 4.45Å; F150-V271 HydrophobicContact CE1-CG2 4.29Å; F150-V271 HydrophobicContact CE2-CG1 3.54Å; F150-V271 HydrophobicContact CE2-CG2 4.09Å; F150-V271 HydrophobicContact CZ-CG1 3.73Å; F150-V271 HydrophobicContact CZ-CG2 3.98Å; L263-V271 HydrophobicContact CD1-CG2 4.08Å; A267-V271 WeakPolarHBondContact O-CB 3.38Å; A267-V271 VanDerWaalsContact O-CG2 3.29Å; A267-V271 WeakPolarHBondContact O-CG2 3.4Å; A267-V271 PolarHBondContact O-N 2.81Å; C268-V271 PolarHBondContact O-N 2.84Å; R269-V271 VanDerWaalsContact C-N 3.35Å; R269-V271 PolarHBondContact O-N 2.78Å; V271-Y273 VanDerWaalsContact C-N 3.34Å; V271-Y273 PolarHBondContact O-N 2.74Å; V271-L275 WeakPolarHBondContact O-CB 3.46Å; V271-L275 PolarHBondContact O-N 3.49Å; V271-Y386 HydrophobicContact CG1-CD1 4.42Å; V271-Y386 HydrophobicContact CG1-CE1 3.58Å; V271-Y386 PolarHBondContact O-OH 3.01Å; V271-Y386 VanDerWaalsContact O-OH 3.04Å; V271-W389 HydrophobicContact CG1-CD2 3.84Å; V271-W389 HydrophobicContact CG1-CE3 3.88Å; V271-W389 HydrophobicContact CG1-CH2 3.61Å; V271-W389 HydrophobicContact CG1-CZ2 3.57Å; V271-W389 HydrophobicContact CG1-CZ3 3.77Å
272Y94.6Very high91.9Very high40 Ų4040.9 Ų40.916%0.15719%0.193CC..Hα-helixtrans-62.1-38.9174.7-77.4-72000112.9C268 R269 L275 I276 W389 V393 K397 L398 L401C268-Y272 WeakPolarHBondContact O-CD2 3.5Å; C268-Y272 PolarHBondContact O-N 2.86Å; C268-Y272 VanDerWaalsContact O-N 3.12Å; R269-Y272 PolarHBondContact O-N 3.34Å; Y272-L275 WeakPolarHBondContact O-CB 3.34Å; Y272-I276 PolarHBondContact O-N 3.41Å; Y272-W389 AromaticContact CD1-CH2 3.64Å; Y272-W389 HydrophobicContact CD1-CH2 3.64Å; Y272-W389 HydrophobicContact CD1-CZ2 4.18Å; Y272-W389 HydrophobicContact CD2-CH2 4.46Å; Y272-W389 HydrophobicContact CD2-CZ2 4.31Å; Y272-W389 AromaticContact CE1-CH2 3.54Å; Y272-W389 HydrophobicContact CE1-CH2 3.54Å; Y272-W389 AromaticContact CE1-CZ2 3.82Å; Y272-W389 HydrophobicContact CE1-CZ2 3.82Å; Y272-W389 HydrophobicContact CE2-CH2 4.37Å; Y272-W389 AromaticContact CE2-CZ2 3.94Å; Y272-W389 HydrophobicContact CE2-CZ2 3.94Å; Y272-W389 HydrophobicContact CG-CH2 4.11Å; Y272-W389 HydrophobicContact CG-CZ2 4.41Å; Y272-W389 AromaticContact CZ-CH2 3.92Å; Y272-W389 AromaticContact CZ-CZ2 3.68Å; Y272-V393 HydrophobicContact CE1-CG1 4Å; Y272-K397 HydrophobicContact CE1-CB 4.18Å; Y272-L398 HydrophobicContact CE1-CD2 4.33Å; Y272-L401 HydrophobicContact CD1-CD2 4.1Å
273Y95.2Very high92.8Very high50 Ų5032.7 Ų32.720%0.19615%0.15CC..Hα-helixtrans-73.8-41.9179.7-66.8-22.4000113R269 Q270 V271 L275 I276 D277 W314 T315 V317 I320 L401R269-Y273 HydrophobicContact CB-CE2 4.45Å; R269-Y273 WeakPolarHBondContact O-CD2 3.48Å; R269-Y273 PolarHBondContact O-N 2.96Å; Q270-Y273 PolarHBondContact O-N 3.16Å; V271-Y273 VanDerWaalsContact C-N 3.34Å; V271-Y273 PolarHBondContact O-N 2.74Å; Y273-L275 VanDerWaalsContact C-N 3.25Å; Y273-L275 PolarHBondContact O-N 3.45Å; Y273-I276 HydrophobicContact CD1-CD1 4.39Å; Y273-I276 WeakPolarHBondContact O-CB 3.21Å; Y273-I276 PolarHBondContact O-N 2.86Å; Y273-I276 VanDerWaalsContact O-N 3.1Å; Y273-D277 PolarHBondContact O-N 2.87Å; Y273-W314 HydrophobicContact CD2-CB 4.18Å; Y273-W314 HydrophobicContact CG-CB 4.32Å; Y273-T315 WeakPolarHBondContact CE2-O 3.46Å; Y273-V317 HydrophobicContact CD1-CG2 3.96Å; Y273-V317 HydrophobicContact CE1-CG2 3.64Å; Y273-I320 HydrophobicContact CD1-CD1 4.47Å; Y273-I320 HydrophobicContact CG-CD1 4.27Å; Y273-I320 WeakPolarHBondContact O-CD1 3.38Å; Y273-L401 HydrophobicContact CD1-CD1 4.37Å; Y273-L401 HydrophobicContact CE1-CD1 4.37Å
274S95.9Very high93.5Very high12 Ų1231.3 Ų31.38%0.08414%0.143CC..Hα-helixtrans-68.9-23.4174.538.50000113.1Q270 D277 I278 T307 Y386Q270-S274 PolarHBondContact O-N 2.93Å; Q270-S274 PolarHBondContact O-OG 2.97Å; S274-D277 PolarHBondContact O-N 3.37Å; S274-I278 WeakPolarHBondContact O-CD1 3.38Å; S274-I278 VanDerWaalsContact O-CG1 3.3Å; S274-I278 WeakPolarHBondContact O-CG1 3.37Å; S274-I278 PolarHBondContact O-N 2.92Å; S274-I278 VanDerWaalsContact O-N 3.1Å; S274-T307 VanDerWaalsContact CB-CG2 3.42Å; S274-T307 WeakPolarHBondContact CB-OG1 3.46Å; S274-Y386 WeakPolarHBondContact CB-OH 3.14Å; S274-Y386 PolarHBondContact OG-OH 3.04Å
275L97.3Very high94.1Very high0 Ų027 Ų270%012%0.119CC..Hα-helixtrans-61.9-44.3165.6178.968.6000112.2V271 Y272 Y273 D277 I278 L279 V358 L362 Y386 W389 I390 L398V271-L275 WeakPolarHBondContact O-CB 3.46Å; V271-L275 PolarHBondContact O-N 3.49Å; Y272-L275 WeakPolarHBondContact O-CB 3.34Å; Y273-L275 VanDerWaalsContact C-N 3.25Å; Y273-L275 PolarHBondContact O-N 3.45Å; L275-D277 VanDerWaalsContact C-N 3.32Å; L275-D277 PolarHBondContact O-N 3.36Å; L275-I278 PolarHBondContact O-N 2.93Å; L275-L279 HydrophobicContact CD1-CD1 4.09Å; L275-L279 HydrophobicContact CD1-CG 4.14Å; L275-L279 HydrophobicContact CD2-CD1 4.43Å; L275-L279 HydrophobicContact CG-CD1 3.9Å; L275-L279 HydrophobicContact CG-CG 4.34Å; L275-L279 WeakPolarHBondContact O-CB 3.49Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.02Å; L275-L279 PolarHBondContact O-N 2.82Å; L275-V358 HydrophobicContact CD1-CG1 3.81Å; L275-V358 HydrophobicContact CD2-CG1 4Å; L275-V358 HydrophobicContact CG-CG1 4.4Å; L275-L362 HydrophobicContact CD1-CD1 4.17Å; L275-L362 HydrophobicContact CD1-CD2 4.18Å; L275-Y386 HydrophobicContact CB-CE1 3.96Å; L275-Y386 HydrophobicContact CD1-CD1 4.16Å; L275-Y386 HydrophobicContact CD1-CE1 4.36Å; L275-W389 HydrophobicContact CD2-CZ3 4.2Å; L275-I390 HydrophobicContact CD2-CD1 4.21Å; L275-L398 HydrophobicContact CD2-CD2 4.33Å
276I97.3Very high94.8Very high0 Ų022.2 Ų22.20%010%0.1CC..Hα-helixtrans-58.1-48.8176.4-62.4171.2000109.8Y272 Y273 I278 L279 L280 V317 I320 L401 L405Y272-I276 PolarHBondContact O-N 3.41Å; Y273-I276 HydrophobicContact CD1-CD1 4.39Å; Y273-I276 WeakPolarHBondContact O-CB 3.21Å; Y273-I276 PolarHBondContact O-N 2.86Å; Y273-I276 VanDerWaalsContact O-N 3.1Å; I276-I278 PolarHBondContact O-N 2.99Å; I276-L279 PolarHBondContact O-N 3.49Å; I276-L279 VanDerWaalsContact O-N 3.16Å; I276-L280 HydrophobicContact CG2-CD1 3.74Å; I276-L280 HydrophobicContact CG2-CG 4.09Å; I276-L280 WeakPolarHBondContact O-CG 3.4Å; I276-L280 PolarHBondContact O-N 3.16Å; I276-V317 HydrophobicContact CD1-CG1 4.08Å; I276-V317 HydrophobicContact CD1-CG2 4.02Å; I276-I320 HydrophobicContact CB-CD1 4.27Å; I276-I320 HydrophobicContact CD1-CD1 4.25Å; I276-I320 HydrophobicContact CG2-CG2 4.23Å; I276-L401 HydrophobicContact CD1-CD1 3.77Å; I276-L401 HydrophobicContact CD1-CD2 4.12Å; I276-L401 HydrophobicContact CD1-CG 3.82Å; I276-L401 HydrophobicContact CG1-CD1 4.43Å; I276-L401 HydrophobicContact CG1-CD2 3.87Å; I276-L401 HydrophobicContact CG1-CG 4.09Å; I276-L405 HydrophobicContact CG2-CD1 4.08Å; I276-L405 HydrophobicContact CG2-CD2 4.17Å
277D97.9Very high95.3Very high0 Ų016 Ų160%07%0.073CC..Hα-helixtrans-57.6-45.6-177.8-173.952000112.6Y273 S274 L275 A281 S305 P306 T307 I320Y273-D277 PolarHBondContact O-N 2.87Å; S274-D277 PolarHBondContact O-N 3.37Å; L275-D277 VanDerWaalsContact C-N 3.32Å; L275-D277 PolarHBondContact O-N 3.36Å; D277-A281 PolarHBondContact O-N 3.48Å; D277-S305 WeakPolarHBondContact OD2-CA 3.29Å; D277-S305 WeakPolarHBondContact OD2-CB 3.26Å; D277-S305 PolarHBondContact OD2-OG 3.04Å; D277-P306 WeakPolarHBondContact OD1-CD 3.38Å; D277-P306 WeakPolarHBondContact OD2-CD 3.45Å; D277-T307 WeakPolarHBondContact OD2-CB 3.35Å; D277-T307 PolarHBondContact OD2-N 2.56Å; D277-T307 PolarHBondContact OD2-OG1 2.7Å; D277-I320 HydrophobicContact CB-CG2 3.78Å
278I98.4Very high95.8Very high0 Ų017 Ų170%08%0.078CC..Hα-helixtrans-66-41.3175.9-67.5166.9000111.3S274 L275 I276 Y282 T307 L308 L362 I365 I383 Y386S274-I278 WeakPolarHBondContact O-CD1 3.38Å; S274-I278 VanDerWaalsContact O-CG1 3.3Å; S274-I278 WeakPolarHBondContact O-CG1 3.37Å; S274-I278 PolarHBondContact O-N 2.92Å; S274-I278 VanDerWaalsContact O-N 3.1Å; L275-I278 PolarHBondContact O-N 2.93Å; I276-I278 PolarHBondContact O-N 2.99Å; I278-Y282 PolarHBondContact O-N 2.82Å; I278-Y282 VanDerWaalsContact O-N 3.1Å; I278-T307 HydrophobicContact CD1-CG2 4.26Å; I278-L308 HydrophobicContact CD1-CD2 4.13Å; I278-L308 HydrophobicContact CG1-CD1 4.25Å; I278-L308 HydrophobicContact CG1-CD2 4.27Å; I278-L308 HydrophobicContact CG1-CG 4.11Å; I278-L362 HydrophobicContact CG2-CD2 4.47Å; I278-I365 HydrophobicContact CG2-CD1 3.65Å; I278-I383 HydrophobicContact CD1-CD1 4.2Å; I278-I383 HydrophobicContact CG2-CD1 4.21Å; I278-Y386 HydrophobicContact CD1-CD2 4.11Å; I278-Y386 HydrophobicContact CD1-CE2 3.72Å
279L98.4Very high96.2Very high0 Ų015.8 Ų15.80%07%0.069CC..Hα-helixtrans-68.9-36.2179.3-72.1175.5000112.8L275 I276 Y282 C283 T347 L351 V358 C361L275-L279 HydrophobicContact CD1-CD1 4.09Å; L275-L279 HydrophobicContact CD1-CG 4.14Å; L275-L279 HydrophobicContact CD2-CD1 4.43Å; L275-L279 HydrophobicContact CG-CD1 3.9Å; L275-L279 HydrophobicContact CG-CG 4.34Å; L275-L279 WeakPolarHBondContact O-CB 3.49Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.02Å; L275-L279 PolarHBondContact O-N 2.82Å; I276-L279 PolarHBondContact O-N 3.49Å; I276-L279 VanDerWaalsContact O-N 3.16Å; L279-Y282 PolarHBondContact O-N 2.91Å; L279-C283 WeakPolarHBondContact O-CB 3.29Å; L279-C283 PolarHBondContact O-N 2.77Å; L279-C283 PolarHBondContact O-SG 2.83Å; L279-T347 HydrophobicContact CB-CG2 3.78Å; L279-T347 HydrophobicContact CD1-CG2 4.36Å; L279-L351 HydrophobicContact CD1-CD2 3.93Å; L279-L351 HydrophobicContact CD1-CG 4.4Å; L279-V358 HydrophobicContact CD1-CG1 4.21Å; L279-V358 HydrophobicContact CD1-CG2 4.41Å; L279-C361 HydrophobicContact CD2-CB 3.83Å
280L98.4Very high96.4Very high0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-60.4-47.6175.1-76.2168.7000111I276 Y282 C283 Y284 I320 F324 C344 T347I276-L280 HydrophobicContact CG2-CD1 3.74Å; I276-L280 HydrophobicContact CG2-CG 4.09Å; I276-L280 WeakPolarHBondContact O-CG 3.4Å; I276-L280 PolarHBondContact O-N 3.16Å; L280-Y282 PolarHBondContact O-N 2.81Å; L280-C283 PolarHBondContact O-N 3.47Å; L280-Y284 PolarHBondContact O-N 2.81Å; L280-I320 HydrophobicContact CD1-CG2 3.89Å; L280-F324 HydrophobicContact CB-CD1 4.05Å; L280-F324 HydrophobicContact CB-CD2 3.74Å; L280-F324 HydrophobicContact CB-CE1 4.14Å; L280-F324 HydrophobicContact CB-CE2 3.86Å; L280-F324 HydrophobicContact CB-CG 3.84Å; L280-F324 HydrophobicContact CB-CZ 4.05Å; L280-F324 HydrophobicContact CD1-CB 4.02Å; L280-F324 HydrophobicContact CD1-CD1 4.08Å; L280-F324 HydrophobicContact CD1-CG 4.02Å; L280-F324 HydrophobicContact CD2-CD1 4Å; L280-F324 HydrophobicContact CD2-CE1 3.98Å; L280-F324 HydrophobicContact CG-CD1 4.28Å; L280-F324 HydrophobicContact CG-CG 4.38Å; L280-F324 WeakPolarHBondContact O-CE2 3.28Å; L280-F324 WeakPolarHBondContact O-CZ 3.17Å; L280-C344 HydrophobicContact CD2-CB 4.19Å; L280-C344 VanDerWaalsContact CD2-SG 3.57Å; L280-T347 WeakPolarHBondContact CD2-OG1 3.43Å
281A98.3Very high96.5Very high0 Ų014.7 Ų14.70%08%0.081CC..Hα-helixtrans-59.5-43.3175.900000112.2D277 Y284 E285 I301 L304D277-A281 PolarHBondContact O-N 3.48Å; A281-Y284 PolarHBondContact O-N 2.8Å; A281-E285 WeakPolarHBondContact O-CB 3.23Å; A281-E285 PolarHBondContact O-N 3.44Å; A281-I301 HydrophobicContact CB-CG2 4.33Å; A281-L304 HydrophobicContact CB-CB 3.79Å
282Y98.3Very high96.4Very high4 Ų422.3 Ų22.32%0.01612%0.116CC..Hα-helixtrans-67.3-38.5175.5176.4-100.4000113.6W219 I278 L279 L280 Y284 E285 T286 I301 C361 D364 I365W219-Y282 HydrophobicContact CH2-CE1 4.42Å; W219-Y282 AromaticContact CZ3-CE1 3.92Å; W219-Y282 HydrophobicContact CZ3-CE1 3.92Å; I278-Y282 PolarHBondContact O-N 2.82Å; I278-Y282 VanDerWaalsContact O-N 3.1Å; L279-Y282 PolarHBondContact O-N 2.91Å; L280-Y282 PolarHBondContact O-N 2.81Å; Y282-Y284 VanDerWaalsContact C-N 3.35Å; Y282-E285 PolarHBondContact O-N 2.89Å; Y282-T286 WeakPolarHBondContact CE1-OG1 3.44Å; Y282-T286 WeakPolarHBondContact O-CB 3.38Å; Y282-T286 PolarHBondContact O-N 2.82Å; Y282-T286 PolarHBondContact O-OG1 3.1Å; Y282-I301 HydrophobicContact CD2-CD1 4.22Å; Y282-C361 HydrophobicContact CD1-CB 3.77Å; Y282-C361 HydrophobicContact CE1-CB 3.6Å; Y282-C361 VanDerWaalsContact CE1-SG 3.54Å; Y282-D364 HydrophobicContact CE2-CB 4Å; Y282-D364 VanDerWaalsContact CE2-OD2 3.31Å; Y282-D364 WeakPolarHBondContact CE2-OD2 2.94Å; Y282-D364 PolarHBondContact OH-OD2 3.42Å; Y282-I365 HydrophobicContact CD2-CD1 4.03Å; Y282-I365 HydrophobicContact CD2-CG1 3.45Å; Y282-I365 VanDerWaalsContact CD2-CG1 3.45Å; Y282-I365 HydrophobicContact CE2-CG1 4.12Å; Y282-I365 HydrophobicContact CG-CD1 3.96Å; Y282-I365 HydrophobicContact CG-CG1 3.92Å
283C98.1Very high96.1Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-65.4-37.7176.4-75.10000112.2L279 L280 R287 A343 D346 T347 I350L279-C283 WeakPolarHBondContact O-CB 3.29Å; L279-C283 PolarHBondContact O-N 2.77Å; L279-C283 PolarHBondContact O-SG 2.83Å; L280-C283 PolarHBondContact O-N 3.47Å; C283-R287 WeakPolarHBondContact O-CG 3.22Å; C283-R287 PolarHBondContact O-N 3.12Å; C283-A343 HydrophobicContact CB-CB 4.05Å; C283-D346 HydrophobicContact CB-CB 4.21Å; C283-T347 PolarHBondContact SG-OG1 2.66Å; C283-T347 VanDerWaalsContact SG-OG1 3.35Å; C283-I350 WeakPolarHBondContact SG-CD1 3.36Å
284Y98Very high95.9Very high2 Ų225.3 Ų25.31%0.00814%0.135CC..Hα-helixtrans-63.6-52.6171.3175.2-85.7000111.1L280 A281 Y282 T286 R287 V288 L304 V328 P332 Y334 L339L280-Y284 PolarHBondContact O-N 2.81Å; A281-Y284 PolarHBondContact O-N 2.8Å; Y282-Y284 VanDerWaalsContact C-N 3.35Å; Y284-T286 PolarHBondContact O-N 3.03Å; Y284-R287 WeakPolarHBondContact O-CB 3.49Å; Y284-R287 PolarHBondContact O-N 2.68Å; Y284-V288 HydrophobicContact CD1-CG2 4.21Å; Y284-V288 HydrophobicContact CE1-CB 4.3Å; Y284-V288 HydrophobicContact CE1-CG2 3.64Å; Y284-V288 HydrophobicContact CE2-CG2 3.98Å; Y284-V288 PolarHBondContact O-N 3.27Å; Y284-L304 HydrophobicContact CD1-CD1 3.16Å; Y284-L304 HydrophobicContact CD2-CD1 4.47Å; Y284-L304 HydrophobicContact CE1-CD1 3.63Å; Y284-L304 HydrophobicContact CG-CD1 3.65Å; Y284-V328 HydrophobicContact CD2-CG1 3.97Å; Y284-V328 HydrophobicContact CD2-CG2 3.81Å; Y284-V328 HydrophobicContact CE2-CB 4.44Å; Y284-V328 HydrophobicContact CE2-CG1 3.53Å; Y284-V328 HydrophobicContact CE2-CG2 4.1Å; Y284-V328 HydrophobicContact CG-CG2 4.32Å; Y284-P332 HydrophobicContact CE1-CB 3.92Å; Y284-P332 HydrophobicContact CE1-CG 4.14Å; Y284-P332 VanDerWaalsContact OH-CB 3.31Å; Y284-P332 WeakPolarHBondContact OH-CB 3.32Å; Y284-P332 VanDerWaalsContact OH-CG 3.26Å; Y284-P332 WeakPolarHBondContact OH-CG 3.21Å; Y284-Y334 PolarHBondContact OH-O 2.87Å; Y284-L339 HydrophobicContact CD2-CB 4.33Å; Y284-L339 HydrophobicContact CE2-CB 4.13Å; Y284-L339 HydrophobicContact CE2-CD1 4.11Å
285E97.3Very high95.7Very high4 Ų430.4 Ų30.42%0.01917%0.165CC..Hα-helixtrans-55.6-53-177.917052.2-152.800111.4A281 Y282 R287 V288 T289 S297 N300 I301A281-E285 WeakPolarHBondContact O-CB 3.23Å; A281-E285 PolarHBondContact O-N 3.44Å; Y282-E285 PolarHBondContact O-N 2.89Å; E285-R287 PolarHBondContact O-N 2.98Å; E285-V288 PolarHBondContact O-N 2.85Å; E285-V288 VanDerWaalsContact O-N 3.14Å; E285-T289 PolarHBondContact O-N 3.1Å; E285-T289 PolarHBondContact O-OG1 3.46Å; E285-T289 WeakPolarHBondContact OE1-CG2 3.43Å; E285-T289 PolarHBondContact OE1-OG1 3.23Å; E285-S297 WeakPolarHBondContact OE1-CA 3.43Å; E285-S297 WeakPolarHBondContact OE1-CB 3.43Å; E285-S297 PolarHBondContact OE1-OG 3.33Å; E285-N300 WeakPolarHBondContact OE2-CB 3.42Å; E285-N300 PolarHBondContact OE2-ND2 3.41Å; E285-I301 HydrophobicContact CB-CD1 4.38Å; E285-I301 HydrophobicContact CB-CG1 3.84Å; E285-I301 HydrophobicContact CG-CD1 3.99Å; E285-I301 HydrophobicContact CG-CG1 3.87Å
286T97.1Very high95.5Very high9 Ų935 Ų356%0.05519%0.187CC..Hα-helixtrans-57.8-25.2179.8-51.90000113P217 W219 Y282 Y284 E290 G291P217-T286 HydrophobicContact CB-CG2 4.42Å; W219-T286 HydrophobicContact CH2-CG2 3.69Å; W219-T286 HydrophobicContact CZ3-CG2 3.86Å; Y282-T286 WeakPolarHBondContact CE1-OG1 3.44Å; Y282-T286 WeakPolarHBondContact O-CB 3.38Å; Y282-T286 PolarHBondContact O-N 2.82Å; Y282-T286 PolarHBondContact O-OG1 3.1Å; Y284-T286 PolarHBondContact O-N 3.03Å; T286-E290 PolarHBondContact O-N 2.74Å; T286-G291 PolarHBondContact O-N 3.15Å
287R95.5Very high95.4Very high3 Ų335.1 Ų35.11%0.01119%0.187CC..Hα-helixtrans-79.7-52.9174.8-76.6-170.3160.7-69.9-18.2112I212 Y215 P217 C283 Y284 E285 T289 E290 K342 D346I212-R287 HydrophobicContact CG2-CB 4.01Å; I212-R287 PolarHBondContact O-NH1 3.37Å; I212-R287 VanDerWaalsContact O-NH1 3.12Å; Y215-R287 PolarHBondContact O-NH1 3.05Å; Y215-R287 PolarHBondContact O-NH2 3.24Å; P217-R287 HydrophobicContact CG-CG 4.31Å; C283-R287 WeakPolarHBondContact O-CG 3.22Å; C283-R287 PolarHBondContact O-N 3.12Å; Y284-R287 WeakPolarHBondContact O-CB 3.49Å; Y284-R287 PolarHBondContact O-N 2.68Å; E285-R287 PolarHBondContact O-N 2.98Å; R287-T289 PolarHBondContact O-N 3.06Å; R287-E290 PolarHBondContact O-N 3.45Å; R287-K342 VanDerWaalsContact CZ-CE 3.46Å; R287-K342 VanDerWaalsContact CZ-CG 3.45Å; R287-K342 VanDerWaalsContact NH2-CE 3.26Å; R287-D346 IonicContact CZ-OD2 3.71Å; R287-D346 IonicContact NE-OD2 2.88Å; R287-D346 PolarHBondContact NE-OD2 3.06Å; R287-D346 IonicContact NH2-OD1 2.69Å; R287-D346 IonicContact NH2-OD2 2.65Å; R287-D346 PolarHBondContact NH2-OD2 2.86Å
288V95.6Very high95.3Very high25 Ų2535.2 Ų35.215%0.15219%0.189CC..Hα-helixtrans-60.7-29.1-177.21660000112I212 Y284 E285 Y334I212-V288 HydrophobicContact CG2-CG2 4.3Å; Y284-V288 HydrophobicContact CD1-CG2 4.21Å; Y284-V288 HydrophobicContact CE1-CB 4.3Å; Y284-V288 HydrophobicContact CE1-CG2 3.64Å; Y284-V288 HydrophobicContact CE2-CG2 3.98Å; Y284-V288 PolarHBondContact O-N 3.27Å; E285-V288 PolarHBondContact O-N 2.85Å; E285-V288 VanDerWaalsContact O-N 3.14Å; V288-Y334 HydrophobicContact CG1-CD2 3.77Å; V288-Y334 HydrophobicContact CG1-CE2 4.03Å; V288-Y334 HydrophobicContact CG2-CD2 4.19Å
289T95.4Very high95.1Very high18 Ų1839 Ų3911%0.1120%0.203CC..THydrogen-bonded Turntrans-100.15.4175.658.10000114.5E285 R287 G291 E292 N294E285-T289 PolarHBondContact O-N 3.1Å; E285-T289 PolarHBondContact O-OG1 3.46Å; E285-T289 WeakPolarHBondContact OE1-CG2 3.43Å; E285-T289 PolarHBondContact OE1-OG1 3.23Å; R287-T289 PolarHBondContact O-N 3.06Å; T289-G291 PolarHBondContact O-N 3.38Å; T289-E292 WeakPolarHBondContact CB-O 3.47Å; T289-E292 PolarHBondContact O-N 3.21Å; T289-N294 WeakPolarHBondContact CG2-ND2 3.46Å
290E94.3Very high95Very high101 Ų10139.6 Ų39.647%0.47221%0.206SC..THydrogen-bonded Turntrans50.827.1-178.8-59.7-168.8-131.700114Y215 T286 R287Y215-E290 HydrophobicContact CD2-CB 3.66Å; Y215-E290 HydrophobicContact CD2-CG 3.86Å; Y215-E290 HydrophobicContact CE2-CB 3.73Å; Y215-E290 HydrophobicContact CE2-CG 4.44Å; Y215-E290 WeakPolarHBondContact CE2-O 3.48Å; Y215-E290 HydrophobicContact CG-CB 4.18Å; Y215-E290 HydrophobicContact CG-CG 4.03Å; Y215-E290 PolarHBondContact OH-O 2.6Å; T286-E290 PolarHBondContact O-N 2.74Å; R287-E290 PolarHBondContact O-N 3.45Å
291G91Very high94.9Very high40 Ų4039.6 Ų39.641%0.41221%0.206SC..THydrogen-bonded Turntrans88.1-3.4-17700000115.7T286 T289T286-G291 PolarHBondContact O-N 3.15Å; T289-G291 PolarHBondContact O-N 3.38Å
292E91.5Very high94.8Very high161 Ų16140.8 Ų40.875%0.75221%0.211SC*.  trans-98.498.9179.5-63.9-161.2168.700112.2T289T289-E292 WeakPolarHBondContact CB-O 3.47Å; T289-E292 PolarHBondContact O-N 3.21Å
293K89.9Confident94.7Very high69 Ų6942.1 Ų42.130%0.322%0.217SC..  trans-56.9138.9-178.4-58.5174.3179.5-163.40112.6D364 I368K293-D364 VanDerWaalsContact CE-CG 3.44Å; K293-D364 WeakPolarHBondContact CE-OD1 3.48Å; K293-D364 WeakPolarHBondContact CE-OD2 3.34Å; K293-D364 PolarHBondContact NZ-O 2.88Å; K293-D364 IonicContact NZ-OD1 2.7Å; K293-D364 PolarHBondContact NZ-OD1 3.41Å; K293-D364 IonicContact NZ-OD2 3.51Å; K293-I368 HydrophobicContact CD-CD1 4.04Å; K293-I368 HydrophobicContact CD-CG1 3.59Å; K293-I368 HydrophobicContact CG-CD1 4.21Å; K293-I368 HydrophobicContact CG-CG1 4.14Å
294N90.9Very high94.7Very high83 Ų8342.2 Ų42.244%0.44422%0.217SC..  trans-130.2-176.7175.366.944.6000111.2T289 E296 S297T289-N294 WeakPolarHBondContact CG2-ND2 3.46Å; N294-E296 VanDerWaalsContact C-N 3.25Å; N294-E296 PolarHBondContact O-N 2.62Å; N294-E296 WeakPolarHBondContact OD1-CA 3.41Å; N294-E296 WeakPolarHBondContact OD1-CB 3.15Å; N294-E296 PolarHBondContact OD1-N 3.49Å; N294-S297 PolarHBondContact N-OG 2.88Å; N294-S297 WeakPolarHBondContact O-CB 3.19Å; N294-S297 PolarHBondContact O-N 2.91Å; N294-S297 PolarHBondContact O-OG 3.32Å; N294-S297 PolarHBondContact OD1-N 3.43Å; N294-S297 VanDerWaalsContact OD1-N 3.13Å
295V90.8Very high94.7Very high119 Ų11942.1 Ų42.172%0.72122%0.217SC*.THydrogen-bonded Turntrans-64.6-27.5-177.6-62.20000113.5
296E92.8Very high94.7Very high98 Ų9841.9 Ų41.946%0.45822%0.216SC..THydrogen-bonded Turntrans-85.5-12178.5-59.8-53.6144.100113.1N294 A298 W299 N300N294-E296 VanDerWaalsContact C-N 3.25Å; N294-E296 PolarHBondContact O-N 2.62Å; N294-E296 WeakPolarHBondContact OD1-CA 3.41Å; N294-E296 WeakPolarHBondContact OD1-CB 3.15Å; N294-E296 PolarHBondContact OD1-N 3.49Å; E296-A298 PolarHBondContact O-N 3.33Å; E296-W299 CarbonylContact O-C 3.55Å; E296-W299 WeakPolarHBondContact O-CA 3.48Å; E296-W299 WeakPolarHBondContact O-CB 3.41Å; E296-W299 PolarHBondContact O-N 3.2Å; E296-N300 PolarHBondContact O-N 3.46Å
297S95.3Very high94.6Very high1 Ų141.6 Ų41.61%0.00721%0.214CC..Hα-helixtrans-54.9-39.1179.7-63.80000112.6E285 N294 I301E285-S297 WeakPolarHBondContact OE1-CA 3.43Å; E285-S297 WeakPolarHBondContact OE1-CB 3.43Å; E285-S297 PolarHBondContact OE1-OG 3.33Å; N294-S297 PolarHBondContact N-OG 2.88Å; N294-S297 WeakPolarHBondContact O-CB 3.19Å; N294-S297 PolarHBondContact O-N 2.91Å; N294-S297 PolarHBondContact O-OG 3.32Å; N294-S297 PolarHBondContact OD1-N 3.43Å; N294-S297 VanDerWaalsContact OD1-N 3.13Å; S297-I301 WeakPolarHBondContact O-CD1 3.3Å; S297-I301 VanDerWaalsContact O-CG1 3.3Å; S297-I301 WeakPolarHBondContact O-CG1 3.5Å; S297-I301 PolarHBondContact O-N 3.38Å
298A95.4Very high94.7Very high3 Ų341.5 Ų41.53%0.02521%0.213CC..Hα-helixtrans-67.3-37.2175.100000112.2E296 R302 I368 F369 N372 A375E296-A298 PolarHBondContact O-N 3.33Å; A298-R302 WeakPolarHBondContact O-CB 3.3Å; A298-R302 WeakPolarHBondContact O-CD 3.35Å; A298-R302 VanDerWaalsContact O-CG 3.29Å; A298-R302 WeakPolarHBondContact O-CG 3.42Å; A298-R302 PolarHBondContact O-N 2.98Å; A298-R302 VanDerWaalsContact O-N 3.16Å; A298-I368 HydrophobicContact CB-CG2 3.73Å; A298-F369 HydrophobicContact CB-CD1 4.1Å; A298-F369 HydrophobicContact CB-CE1 4.35Å; A298-N372 HydrophobicContact CB-CB 3.84Å; A298-A375 HydrophobicContact CB-CB 4.45Å
299W95.4Very high94.6Very high78 Ų7840.3 Ų40.330%0.29521%0.206SC..Hα-helixtrans-70.8-45.5178.6-172.8102.9000111.7E296 R302 K303 Y331E296-W299 CarbonylContact O-C 3.55Å; E296-W299 WeakPolarHBondContact O-CA 3.48Å; E296-W299 WeakPolarHBondContact O-CB 3.41Å; E296-W299 PolarHBondContact O-N 3.2Å; W299-R302 WeakPolarHBondContact O-CG 3.28Å; W299-R302 PolarHBondContact O-N 3.48Å; W299-K303 HydrophobicContact CD2-CB 4.46Å; W299-K303 HydrophobicContact CD2-CG 3.68Å; W299-K303 HydrophobicContact CE3-CB 4.35Å; W299-K303 HydrophobicContact CE3-CG 4.04Å; W299-K303 HydrophobicContact CG-CG 4.16Å; W299-K303 HydrophobicContact CH2-CG 4.23Å; W299-K303 HydrophobicContact CZ2-CD 4.4Å; W299-K303 HydrophobicContact CZ2-CG 3.89Å; W299-K303 HydrophobicContact CZ3-CB 4.39Å; W299-K303 HydrophobicContact CZ3-CG 4.3Å; W299-K303 VanDerWaalsContact O-CB 3.23Å; W299-K303 WeakPolarHBondContact O-CB 3.39Å; W299-K303 WeakPolarHBondContact O-CG 3.15Å; W299-K303 PolarHBondContact O-N 3.45Å; W299-Y331 WeakPolarHBondContact CH2-O 3.06Å
300N95.8Very high94.7Very high14 Ų1440.1 Ų40.18%0.07520%0.204CC..Hα-helixtrans-59.4-50.7177-80.3-23.8000111.2E285 E296 R302 K303 L304E285-N300 WeakPolarHBondContact OE2-CB 3.42Å; E285-N300 PolarHBondContact OE2-ND2 3.41Å; E296-N300 PolarHBondContact O-N 3.46Å; N300-R302 PolarHBondContact O-N 2.82Å; N300-K303 PolarHBondContact O-N 3.1Å; N300-L304 VanDerWaalsContact O-CB 3.28Å; N300-L304 WeakPolarHBondContact O-CB 3.02Å; N300-L304 VanDerWaalsContact O-CG 3.24Å; N300-L304 WeakPolarHBondContact O-CG 3.24Å; N300-L304 PolarHBondContact O-N 3.47Å
301I97.3Very high94.7Very high0 Ų035.4 Ų35.40%018%0.182CC..Hα-helixtrans-62.8-47-178.7-62.2166000110.9A281 Y282 E285 S297 S305 L308 I365 I368 F369A281-I301 HydrophobicContact CB-CG2 4.33Å; Y282-I301 HydrophobicContact CD2-CD1 4.22Å; E285-I301 HydrophobicContact CB-CD1 4.38Å; E285-I301 HydrophobicContact CB-CG1 3.84Å; E285-I301 HydrophobicContact CG-CD1 3.99Å; E285-I301 HydrophobicContact CG-CG1 3.87Å; S297-I301 WeakPolarHBondContact O-CD1 3.3Å; S297-I301 VanDerWaalsContact O-CG1 3.3Å; S297-I301 WeakPolarHBondContact O-CG1 3.5Å; S297-I301 PolarHBondContact O-N 3.38Å; I301-S305 PolarHBondContact O-N 3.47Å; I301-L308 HydrophobicContact CG2-CD1 4.09Å; I301-I365 HydrophobicContact CD1-CG1 4.33Å; I301-I365 HydrophobicContact CG2-CG2 4.28Å; I301-I368 HydrophobicContact CD1-CD1 3.64Å; I301-I368 HydrophobicContact CD1-CG2 4.32Å; I301-F369 HydrophobicContact CB-CE1 4.22Å; I301-F369 HydrophobicContact CB-CZ 4.16Å; I301-F369 HydrophobicContact CG2-CE1 4.29Å; I301-F369 HydrophobicContact CG2-CZ 3.75Å
302R95.7Very high94.8Very high25 Ų2533.9 Ų33.99%0.09416%0.163CC..Hα-helixtrans-66.6-39.6-17980.3-168.1-175.3171.412.9112.1D167 A298 W299 N300 C309 F369 L378D167-R302 PolarHBondContact O-NH1 3.46Å; D167-R302 PolarHBondContact O-NH2 2.97Å; A298-R302 WeakPolarHBondContact O-CB 3.3Å; A298-R302 WeakPolarHBondContact O-CD 3.35Å; A298-R302 VanDerWaalsContact O-CG 3.29Å; A298-R302 WeakPolarHBondContact O-CG 3.42Å; A298-R302 PolarHBondContact O-N 2.98Å; A298-R302 VanDerWaalsContact O-N 3.16Å; W299-R302 WeakPolarHBondContact O-CG 3.28Å; W299-R302 PolarHBondContact O-N 3.48Å; N300-R302 PolarHBondContact O-N 2.82Å; R302-C309 VanDerWaalsContact O-CB 3.22Å; R302-C309 WeakPolarHBondContact O-CB 3.35Å; R302-C309 PolarHBondContact O-SG 3.13Å; R302-F369 HydrophobicContact CB-CZ 4.46Å; R302-L378 HydrophobicContact CB-CD1 3.94Å
303K96.4Very high94.8Very high32 Ų3227.5 Ų27.514%0.13914%0.136CC..Hα-helixtrans-76-33.4-178.5-68.4-69179.2177.80112.8D170 W299 N300 R327D170-K303 IonicContact OD1-NZ 3.6Å; D170-K303 PolarHBondContact OD1-NZ 3.31Å; W299-K303 HydrophobicContact CD2-CB 4.46Å; W299-K303 HydrophobicContact CD2-CG 3.68Å; W299-K303 HydrophobicContact CE3-CB 4.35Å; W299-K303 HydrophobicContact CE3-CG 4.04Å; W299-K303 HydrophobicContact CG-CG 4.16Å; W299-K303 HydrophobicContact CH2-CG 4.23Å; W299-K303 HydrophobicContact CZ2-CD 4.4Å; W299-K303 HydrophobicContact CZ2-CG 3.89Å; W299-K303 HydrophobicContact CZ3-CB 4.39Å; W299-K303 HydrophobicContact CZ3-CG 4.3Å; W299-K303 VanDerWaalsContact O-CB 3.23Å; W299-K303 WeakPolarHBondContact O-CB 3.39Å; W299-K303 WeakPolarHBondContact O-CG 3.15Å; W299-K303 PolarHBondContact O-N 3.45Å; N300-K303 PolarHBondContact O-N 3.1Å; K303-R327 PolarHBondContact O-NE 2.79Å; K303-R327 PolarHBondContact O-NH2 2.88Å
304L97.8Very high94.8Very high1 Ų124.4 Ų24.41%0.00512%0.122CC..Hα-helixtrans-78.6-20.3-179.7-67.3176.8000113.8A281 Y284 N300 P306 R327 V328 P332A281-L304 HydrophobicContact CB-CB 3.79Å; Y284-L304 HydrophobicContact CD1-CD1 3.16Å; Y284-L304 HydrophobicContact CD2-CD1 4.47Å; Y284-L304 HydrophobicContact CE1-CD1 3.63Å; Y284-L304 HydrophobicContact CG-CD1 3.65Å; N300-L304 VanDerWaalsContact O-CB 3.28Å; N300-L304 WeakPolarHBondContact O-CB 3.02Å; N300-L304 VanDerWaalsContact O-CG 3.24Å; N300-L304 WeakPolarHBondContact O-CG 3.24Å; N300-L304 PolarHBondContact O-N 3.47Å; L304-P306 WeakPolarHBondContact O-CD 3.48Å; L304-R327 HydrophobicContact CD2-CB 4.06Å; L304-V328 HydrophobicContact CD1-CG2 4.26Å; L304-V328 HydrophobicContact CD2-CB 4.43Å; L304-V328 HydrophobicContact CD2-CG2 3.82Å; L304-P332 HydrophobicContact CD2-CG 4.28Å
305S97.8Very high94.6Very high0 Ų025 Ų250%013%0.129CC..  trans-101.9107.4174.7170.50000112.3D277 I301 T307 L308 C309D277-S305 WeakPolarHBondContact OD2-CA 3.29Å; D277-S305 WeakPolarHBondContact OD2-CB 3.26Å; D277-S305 PolarHBondContact OD2-OG 3.04Å; I301-S305 PolarHBondContact O-N 3.47Å; S305-T307 PolarHBondContact O-N 3.22Å; S305-T307 WeakPolarHBondContact OG-CB 3.2Å; S305-T307 PolarHBondContact OG-N 2.87Å; S305-L308 PolarHBondContact O-N 3.1Å; S305-L308 PolarHBondContact OG-N 3.22Å; S305-C309 PolarHBondContact O-N 2.77Å; S305-C309 VanDerWaalsContact O-N 3.12Å; S305-C309 PolarHBondContact O-SG 2.76Å
306P96.6Very high94.5Very high0 Ų022.9 Ų22.90%011%0.113CC..Hα-helixtrans-56.6-25.8168.7-2937.2000115D277 L304 L308 W310 F311 E312 W314 S323D277-P306 WeakPolarHBondContact OD1-CD 3.38Å; D277-P306 WeakPolarHBondContact OD2-CD 3.45Å; L304-P306 WeakPolarHBondContact O-CD 3.48Å; P306-L308 PolarHBondContact O-N 3.13Å; P306-W310 HydrophobicContact CB-CB 4.34Å; P306-W310 CarbonylContact O-C 3.41Å; P306-W310 VanDerWaalsContact O-CA 3.32Å; P306-W310 WeakPolarHBondContact O-CA 3.37Å; P306-W310 WeakPolarHBondContact O-CB 3.42Å; P306-W310 PolarHBondContact O-N 3.18Å; P306-F311 PolarHBondContact O-N 2.69Å; P306-E312 HydrophobicContact CB-CB 3.7Å; P306-E312 HydrophobicContact CB-CG 4.2Å; P306-E312 PolarHBondContact O-N 3.28Å; P306-W314 HydrophobicContact CB-CH2 4.16Å; P306-W314 HydrophobicContact CB-CZ2 3.7Å; P306-W314 HydrophobicContact CG-CH2 4.01Å; P306-W314 HydrophobicContact CG-CZ2 3.77Å; P306-S323 WeakPolarHBondContact CG-OG 3.42Å
307T96.4Very high94.5Very high3 Ų318.7 Ų18.72%0.01810%0.095CC..Hα-helixtrans-56.6-42.1171-54.40000110.3S274 D277 I278 S305 F311 W314 Y382S274-T307 VanDerWaalsContact CB-CG2 3.42Å; S274-T307 WeakPolarHBondContact CB-OG1 3.46Å; D277-T307 WeakPolarHBondContact OD2-CB 3.35Å; D277-T307 PolarHBondContact OD2-N 2.56Å; D277-T307 PolarHBondContact OD2-OG1 2.7Å; I278-T307 HydrophobicContact CD1-CG2 4.26Å; S305-T307 PolarHBondContact O-N 3.22Å; S305-T307 WeakPolarHBondContact OG-CB 3.2Å; S305-T307 PolarHBondContact OG-N 2.87Å; T307-F311 WeakPolarHBondContact O-CA 3.44Å; T307-F311 WeakPolarHBondContact O-CD1 3.31Å; T307-W314 PolarHBondContact OG1-NE1 2.99Å; T307-Y382 HydrophobicContact CG2-CD1 4.01Å; T307-Y382 HydrophobicContact CG2-CE1 3.68Å; T307-Y382 PolarHBondContact O-OH 3.22Å
308L96.1Very high94.4Very high0 Ų021.3 Ų21.30%011%0.107CC..Hα-helixtrans-85.2-44.1-175.1-62.2179.4000113.2I278 I301 S305 P306 F311 F369 L378 Y382 I383I278-L308 HydrophobicContact CD1-CD2 4.13Å; I278-L308 HydrophobicContact CG1-CD1 4.25Å; I278-L308 HydrophobicContact CG1-CD2 4.27Å; I278-L308 HydrophobicContact CG1-CG 4.11Å; I301-L308 HydrophobicContact CG2-CD1 4.09Å; S305-L308 PolarHBondContact O-N 3.1Å; S305-L308 PolarHBondContact OG-N 3.22Å; P306-L308 PolarHBondContact O-N 3.13Å; L308-F311 VanDerWaalsContact O-CE1 3.27Å; L308-F311 WeakPolarHBondContact O-CE1 3.42Å; L308-F369 HydrophobicContact CD1-CE2 3.92Å; L308-F369 HydrophobicContact CD1-CZ 3.78Å; L308-L378 HydrophobicContact CB-CD1 4.19Å; L308-L378 HydrophobicContact CD2-CD2 4.43Å; L308-Y382 HydrophobicContact CD2-CD2 3.76Å; L308-Y382 HydrophobicContact CD2-CE2 4.38Å; L308-Y382 HydrophobicContact CD2-CG 4Å; L308-I383 HydrophobicContact CD2-CD1 4.3Å
309C95Very high94.3Very high0 Ų023.9 Ų23.90%012%0.118CC..Hα-helixtrans-94.9-23.4-176.555.20000115.4I169 D170 I171 R302 S305 R327I169-C309 WeakPolarHBondContact CB-O 3.44Å; D170-C309 HydrophobicContact CB-CB 4.48Å; D170-C309 PolarHBondContact N-O 2.65Å; I171-C309 PolarHBondContact N-O 2.94Å; R302-C309 VanDerWaalsContact O-CB 3.22Å; R302-C309 WeakPolarHBondContact O-CB 3.35Å; R302-C309 PolarHBondContact O-SG 3.13Å; S305-C309 PolarHBondContact O-N 2.77Å; S305-C309 VanDerWaalsContact O-N 3.12Å; S305-C309 PolarHBondContact O-SG 2.76Å; C309-R327 PolarHBondContact SG-NH2 2.89Å
310W95.9Very high94.3Very high15 Ų1520.1 Ų20.16%0.05710%0.104CC..THydrogen-bonded Turntrans-114.7-8.3-179.7-79.391.4000114.1D170 I171 R182 K185 R186 A189 P306 E312D170-W310 HydrophobicContact CB-CD2 3.98Å; D170-W310 HydrophobicContact CB-CG 4.33Å; D170-W310 HydrophobicContact CB-CH2 4.32Å; D170-W310 HydrophobicContact CB-CZ2 3.5Å; D170-W310 PolarHBondContact OD2-NE1 2.88Å; I171-W310 HydrophobicContact CB-CE3 3.96Å; I171-W310 HydrophobicContact CB-CZ3 4.25Å; R182-W310 WeakPolarHBondContact CD-O 3.5Å; K185-W310 HydrophobicContact CB-CE3 4.49Å; K185-W310 HydrophobicContact CB-CH2 3.84Å; K185-W310 HydrophobicContact CB-CZ3 3.48Å; K185-W310 VanDerWaalsContact CB-CZ3 3.48Å; R186-W310 HydrophobicContact CB-CD2 3.55Å; R186-W310 HydrophobicContact CB-CE3 3.88Å; R186-W310 HydrophobicContact CB-CG 3.83Å; R186-W310 HydrophobicContact CB-CZ2 4.31Å; R186-W310 HydrophobicContact CB-CZ3 4.41Å; R186-W310 HydrophobicContact CG-CD2 3.92Å; R186-W310 HydrophobicContact CG-CG 3.77Å; A189-W310 HydrophobicContact CB-CH2 4.22Å; A189-W310 HydrophobicContact CB-CZ2 3.72Å; P306-W310 HydrophobicContact CB-CB 4.34Å; P306-W310 CarbonylContact O-C 3.41Å; P306-W310 VanDerWaalsContact O-CA 3.32Å; P306-W310 WeakPolarHBondContact O-CA 3.37Å; P306-W310 WeakPolarHBondContact O-CB 3.42Å; P306-W310 PolarHBondContact O-N 3.18Å; W310-E312 PolarHBondContact O-N 2.97Å
311F94.5Very high94.3Very high2 Ų219.7 Ų19.71%0.00910%0.101CC..  trans49.741.9-170.3-55-14000111.5Y148 L165 I169 I171 P174 R182 P306 T307 L308 L378 L381 Y382Y148-F311 HydrophobicContact CD1-CD2 4.01Å; Y148-F311 HydrophobicContact CD1-CE2 4.32Å; Y148-F311 AromaticContact CD2-CD2 3.52Å; Y148-F311 HydrophobicContact CD2-CD2 3.52Å; Y148-F311 AromaticContact CD2-CE2 3.37Å; Y148-F311 HydrophobicContact CD2-CE2 3.37Å; Y148-F311 HydrophobicContact CD2-CG 4.36Å; Y148-F311 HydrophobicContact CD2-CZ 4.1Å; Y148-F311 HydrophobicContact CE1-CE2 4.48Å; Y148-F311 HydrophobicContact CE2-CD2 4.15Å; Y148-F311 AromaticContact CE2-CE2 3.58Å; Y148-F311 HydrophobicContact CE2-CE2 3.58Å; Y148-F311 HydrophobicContact CE2-CZ 4.27Å; Y148-F311 AromaticContact CG-CD2 3.44Å; Y148-F311 HydrophobicContact CG-CD2 3.44Å; Y148-F311 VanDerWaalsContact CG-CD2 3.44Å; Y148-F311 AromaticContact CG-CE2 3.77Å; Y148-F311 HydrophobicContact CG-CE2 3.77Å; Y148-F311 HydrophobicContact CG-CG 4.25Å; L165-F311 HydrophobicContact CD2-CZ 4.47Å; I169-F311 HydrophobicContact CD1-CE2 4.24Å; I169-F311 HydrophobicContact CD1-CZ 4.2Å; I169-F311 HydrophobicContact CG2-CE1 3.87Å; I169-F311 HydrophobicContact CG2-CZ 3.83Å; I171-F311 HydrophobicContact CG2-CD2 4.49Å; P174-F311 HydrophobicContact CB-CD2 3.46Å; P174-F311 VanDerWaalsContact CB-CD2 3.46Å; P174-F311 HydrophobicContact CB-CE2 3.63Å; P174-F311 HydrophobicContact CG-CD2 4.2Å; P174-F311 HydrophobicContact CG-CE2 3.83Å; R182-F311 WeakPolarHBondContact CD-O 3.43Å; R182-F311 PolarHBondContact NH1-O 3.02Å; P306-F311 PolarHBondContact O-N 2.69Å; T307-F311 WeakPolarHBondContact O-CA 3.44Å; T307-F311 WeakPolarHBondContact O-CD1 3.31Å; L308-F311 VanDerWaalsContact O-CE1 3.27Å; L308-F311 WeakPolarHBondContact O-CE1 3.42Å; F311-L378 HydrophobicContact CE1-CD2 4.48Å; F311-L381 HydrophobicContact CE1-CD1 4.44Å; F311-L381 HydrophobicContact CZ-CD1 3.9Å; F311-Y382 AromaticContact CD1-CE2 3.91Å; F311-Y382 HydrophobicContact CD1-CE2 3.91Å; F311-Y382 AromaticContact CD1-CZ 3.95Å; F311-Y382 WeakPolarHBondContact CD1-OH 3.44Å; F311-Y382 AromaticContact CE1-CE2 3.82Å; F311-Y382 HydrophobicContact CE1-CE2 3.82Å; F311-Y382 WeakPolarHBondContact CG-OH 3.37Å
312E93.1Very high94.3Very high7 Ų720.8 Ų20.83%0.03311%0.108CC..  trans-67.4144176.317678.1-115.900110.4R183 R186 P306 W310 W314R183-E312 WeakPolarHBondContact CA-OE2 3.24Å; R183-E312 WeakPolarHBondContact CB-OE2 3.37Å; R183-E312 IonicContact CZ-OE1 3.73Å; R183-E312 IonicContact NE-OE1 3.83Å; R183-E312 PolarHBondContact NE-OE1 3.08Å; R183-E312 IonicContact NE-OE2 3.86Å; R183-E312 IonicContact NH2-OE1 3.88Å; R183-E312 PolarHBondContact NH2-OE1 3.15Å; R183-E312 VanDerWaalsContact NH2-OE1 3.16Å; R186-E312 IonicContact CZ-OE2 3.75Å; R186-E312 IonicContact NE-OE2 2.96Å; R186-E312 PolarHBondContact NE-OE2 3.09Å; R186-E312 IonicContact NH2-OE2 3.22Å; R186-E312 PolarHBondContact NH2-OE2 3.17Å; P306-E312 HydrophobicContact CB-CB 3.7Å; P306-E312 HydrophobicContact CB-CG 4.2Å; P306-E312 PolarHBondContact O-N 3.28Å; W310-E312 PolarHBondContact O-N 2.97Å; E312-W314 HydrophobicContact CB-CZ2 4.37Å; E312-W314 HydrophobicContact CG-CD2 4.02Å; E312-W314 HydrophobicContact CG-CE3 4.05Å; E312-W314 HydrophobicContact CG-CH2 3.75Å; E312-W314 HydrophobicContact CG-CZ2 3.74Å; E312-W314 HydrophobicContact CG-CZ3 3.91Å
313T91.3Very high94.3Very high27 Ų2719.7 Ų19.717%0.16610%0.104CC..  trans-114.4121.8173.960.70000110.1R183R183-T313 PolarHBondContact NH2-O 3.39Å
314W90.6Very high94.4Very high4 Ų418.1 Ų18.12%0.01510%0.098CC..  trans-85.6150.8-175-57.8112.1000113.5Y273 P306 T307 E312 E319 I320 S323Y273-W314 HydrophobicContact CD2-CB 4.18Å; Y273-W314 HydrophobicContact CG-CB 4.32Å; P306-W314 HydrophobicContact CB-CH2 4.16Å; P306-W314 HydrophobicContact CB-CZ2 3.7Å; P306-W314 HydrophobicContact CG-CH2 4.01Å; P306-W314 HydrophobicContact CG-CZ2 3.77Å; T307-W314 PolarHBondContact OG1-NE1 2.99Å; E312-W314 HydrophobicContact CB-CZ2 4.37Å; E312-W314 HydrophobicContact CG-CD2 4.02Å; E312-W314 HydrophobicContact CG-CE3 4.05Å; E312-W314 HydrophobicContact CG-CH2 3.75Å; E312-W314 HydrophobicContact CG-CZ2 3.74Å; E312-W314 HydrophobicContact CG-CZ3 3.91Å; W314-E319 HydrophobicContact CE3-CB 4.02Å; W314-E319 HydrophobicContact CZ3-CB 4.04Å; W314-I320 HydrophobicContact CB-CD1 4.22Å; W314-I320 HydrophobicContact CB-CG1 4.05Å; W314-I320 HydrophobicContact CD2-CG1 3.6Å; W314-I320 HydrophobicContact CE3-CG1 3.84Å; W314-I320 HydrophobicContact CG-CD1 4.15Å; W314-I320 HydrophobicContact CG-CG1 3.69Å; W314-S323 VanDerWaalsContact CH2-CB 3.47Å
315T87.4Confident94.4Very high97 Ų9718.1 Ų18.160%0.59510%0.097SC*.SBendtrans-124.3-18.6174.5670000113.6Y273 E319Y273-T315 WeakPolarHBondContact CE2-O 3.46Å; T315-E319 PolarHBondContact OG1-OE2 3.32Å
316N88.4Confident94.4Very high73 Ų7318.8 Ų18.839%0.3910%0.1SC..  trans-147.9138.8-173.9176.90.1000109.3H318 E319N316-H318 VanDerWaalsContact C-N 3.29Å; N316-H318 PolarHBondContact O-N 3.32Å; N316-H318 PolarHBondContact OD1-N 3.47Å; N316-E319 HydrophobicContact CB-CG 4.09Å; N316-E319 PolarHBondContact O-N 2.7Å
317V91.9Very high94.5Very high11 Ų1118.8 Ų18.87%0.06710%0.1CC..Hα-helixtrans-63.6-33.4178.5-178.80000112.1Y273 I276 E319 I320 M321 L405 V408Y273-V317 HydrophobicContact CD1-CG2 3.96Å; Y273-V317 HydrophobicContact CE1-CG2 3.64Å; I276-V317 HydrophobicContact CD1-CG1 4.08Å; I276-V317 HydrophobicContact CD1-CG2 4.02Å; V317-E319 PolarHBondContact O-N 3.09Å; V317-I320 WeakPolarHBondContact O-CB 3.41Å; V317-I320 PolarHBondContact O-N 3.26Å; V317-M321 PolarHBondContact O-N 3.15Å; V317-M321 VanDerWaalsContact O-N 3.14Å; V317-L405 HydrophobicContact CG1-CB 4.32Å; V317-L405 HydrophobicContact CG1-CD1 3.57Å; V317-V408 HydrophobicContact CG1-CG2 4.44Å
318H93.6Very high94.6Very high56 Ų5618.7 Ų18.726%0.25910%0.099SC..Hα-helixtrans-63.7-39176.6177.7-100.1000112.7N316 I320 M321 V322 V408 Q414N316-H318 VanDerWaalsContact C-N 3.29Å; N316-H318 PolarHBondContact O-N 3.32Å; N316-H318 PolarHBondContact OD1-N 3.47Å; H318-I320 VanDerWaalsContact C-N 3.25Å; H318-I320 PolarHBondContact O-N 3.44Å; H318-M321 PolarHBondContact O-N 3.08Å; H318-V322 VanDerWaalsContact CE1-CG2 3.5Å; H318-V322 WeakPolarHBondContact CE1-CG2 3.02Å; H318-V322 WeakPolarHBondContact O-CG2 3.46Å; H318-V322 PolarHBondContact O-N 3.28Å; H318-V408 HydrophobicContact CB-CG1 3.93Å; H318-Q414 PolarHBondContact NE2-NE2 2.97Å; H318-Q414 PolarHBondContact NE2-OE1 3.19Å
319E93.6Very high94.6Very high56 Ų5618.7 Ų18.726%0.26210%0.099SC..Hα-helixtrans-59.9-37.6174.8-67.2-17615100111.8R183 W314 T315 N316 V317 S323R183-E319 IonicContact CZ-OE1 2.6Å; R183-E319 IonicContact CZ-OE2 2.94Å; R183-E319 IonicContact NH1-OE1 2.62Å; R183-E319 PolarHBondContact NH1-OE1 3.22Å; R183-E319 IonicContact NH1-OE2 3.69Å; R183-E319 PolarHBondContact NH1-OE2 3.08Å; R183-E319 IonicContact NH2-OE1 2.97Å; R183-E319 IonicContact NH2-OE2 3.74Å; R183-E319 PolarHBondContact NH2-OE2 3.33Å; W314-E319 HydrophobicContact CE3-CB 4.02Å; W314-E319 HydrophobicContact CZ3-CB 4.04Å; T315-E319 PolarHBondContact OG1-OE2 3.32Å; N316-E319 HydrophobicContact CB-CG 4.09Å; N316-E319 PolarHBondContact O-N 2.7Å; V317-E319 PolarHBondContact O-N 3.09Å; E319-S323 VanDerWaalsContact O-CB 3.22Å; E319-S323 WeakPolarHBondContact O-CB 3.46Å; E319-S323 PolarHBondContact O-N 2.87Å
320I95.9Very high94.8Very high0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-65.6-49.5178.5-50.4167.2000109.6Y273 I276 D277 L280 W314 V317 H318 S323 F324Y273-I320 HydrophobicContact CD1-CD1 4.47Å; Y273-I320 HydrophobicContact CG-CD1 4.27Å; Y273-I320 WeakPolarHBondContact O-CD1 3.38Å; I276-I320 HydrophobicContact CB-CD1 4.27Å; I276-I320 HydrophobicContact CD1-CD1 4.25Å; I276-I320 HydrophobicContact CG2-CG2 4.23Å; D277-I320 HydrophobicContact CB-CG2 3.78Å; L280-I320 HydrophobicContact CD1-CG2 3.89Å; W314-I320 HydrophobicContact CB-CD1 4.22Å; W314-I320 HydrophobicContact CB-CG1 4.05Å; W314-I320 HydrophobicContact CD2-CG1 3.6Å; W314-I320 HydrophobicContact CE3-CG1 3.84Å; W314-I320 HydrophobicContact CG-CD1 4.15Å; W314-I320 HydrophobicContact CG-CG1 3.69Å; V317-I320 WeakPolarHBondContact O-CB 3.41Å; V317-I320 PolarHBondContact O-N 3.26Å; H318-I320 VanDerWaalsContact C-N 3.25Å; H318-I320 PolarHBondContact O-N 3.44Å; I320-S323 PolarHBondContact O-N 3.1Å; I320-F324 VanDerWaalsContact O-CB 3.31Å; I320-F324 WeakPolarHBondContact O-CB 3.29Å; I320-F324 PolarHBondContact O-N 2.97Å
321M96Very high94.8Very high4 Ų419.2 Ų19.22%0.0210%0.101CC..Hα-helixtrans-63.8-42.8-179.3-69.3-18076.300112.5V317 H318 G325 C344 L405 V408 L410V317-M321 PolarHBondContact O-N 3.15Å; V317-M321 VanDerWaalsContact O-N 3.14Å; H318-M321 PolarHBondContact O-N 3.08Å; M321-G325 PolarHBondContact O-N 3.11Å; M321-C344 HydrophobicContact CE-CB 4.16Å; M321-L405 HydrophobicContact CE-CD1 4.42Å; M321-L405 HydrophobicContact CG-CD1 3.77Å; M321-L405 HydrophobicContact SD-CD1 3.55Å; M321-L405 VanDerWaalsContact SD-CD1 3.55Å; M321-V408 HydrophobicContact CE-CG1 4.38Å; M321-V408 HydrophobicContact SD-CB 3.6Å; M321-V408 HydrophobicContact SD-CG1 3.39Å; M321-V408 WeakPolarHBondContact SD-CG1 3.22Å; M321-L410 HydrophobicContact CB-CD1 4.45Å; M321-L410 HydrophobicContact CB-CD2 4.45Å; M321-L410 HydrophobicContact CE-CB 4.13Å
322V96.3Very high94.9Very high23 Ų2319.3 Ų19.314%0.13910%0.102CC..Hα-helixtrans-61.9-45.1174.5169.60000110.5H318 G325 R326 L410 Q414 L415H318-V322 VanDerWaalsContact CE1-CG2 3.5Å; H318-V322 WeakPolarHBondContact CE1-CG2 3.02Å; H318-V322 WeakPolarHBondContact O-CG2 3.46Å; H318-V322 PolarHBondContact O-N 3.28Å; V322-G325 PolarHBondContact O-N 3.01Å; V322-R326 WeakPolarHBondContact O-CB 3.42Å; V322-R326 WeakPolarHBondContact O-CG 3.19Å; V322-R326 PolarHBondContact O-N 2.91Å; V322-L410 HydrophobicContact CB-CD1 4.43Å; V322-L410 HydrophobicContact CG2-CD1 3.65Å; V322-Q414 WeakPolarHBondContact CG1-O 3.2Å; V322-Q414 HydrophobicContact CG2-CB 4.36Å; V322-L415 HydrophobicContact CG1-CD2 4.29Å; V322-L415 WeakPolarHBondContact O-CD2 3.27Å
323S96.9Very high95Very high2 Ų224 Ų241%0.01413%0.127CC..Hα-helixtrans-65.2-46.4179-169.50000112.6R186 P306 W314 E319 I320 G325 R326 R327R186-S323 PolarHBondContact NH1-OG 2.7Å; P306-S323 WeakPolarHBondContact CG-OG 3.42Å; W314-S323 VanDerWaalsContact CH2-CB 3.47Å; E319-S323 VanDerWaalsContact O-CB 3.22Å; E319-S323 WeakPolarHBondContact O-CB 3.46Å; E319-S323 PolarHBondContact O-N 2.87Å; I320-S323 PolarHBondContact O-N 3.1Å; S323-G325 VanDerWaalsContact C-N 3.34Å; S323-R326 PolarHBondContact O-N 3.05Å; S323-R327 VanDerWaalsContact O-CG 3.22Å; S323-R327 WeakPolarHBondContact O-CG 3.38Å; S323-R327 PolarHBondContact O-N 3.28Å
324F98.1Very high95.3Very high0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-60-46.1176.7168.1-109.9000110.7L280 I320 R327 V328 V340 A343L280-F324 HydrophobicContact CB-CD1 4.05Å; L280-F324 HydrophobicContact CB-CD2 3.74Å; L280-F324 HydrophobicContact CB-CE1 4.14Å; L280-F324 HydrophobicContact CB-CE2 3.86Å; L280-F324 HydrophobicContact CB-CG 3.84Å; L280-F324 HydrophobicContact CB-CZ 4.05Å; L280-F324 HydrophobicContact CD1-CB 4.02Å; L280-F324 HydrophobicContact CD1-CD1 4.08Å; L280-F324 HydrophobicContact CD1-CG 4.02Å; L280-F324 HydrophobicContact CD2-CD1 4Å; L280-F324 HydrophobicContact CD2-CE1 3.98Å; L280-F324 HydrophobicContact CG-CD1 4.28Å; L280-F324 HydrophobicContact CG-CG 4.38Å; L280-F324 WeakPolarHBondContact O-CE2 3.28Å; L280-F324 WeakPolarHBondContact O-CZ 3.17Å; I320-F324 VanDerWaalsContact O-CB 3.31Å; I320-F324 WeakPolarHBondContact O-CB 3.29Å; I320-F324 PolarHBondContact O-N 2.97Å; F324-R327 PolarHBondContact O-N 2.84Å; F324-V328 HydrophobicContact CD2-CG2 4.08Å; F324-V328 HydrophobicContact CE1-CG2 4.31Å; F324-V328 HydrophobicContact CE2-CG2 3.61Å; F324-V328 HydrophobicContact CZ-CG2 3.74Å; F324-V328 WeakPolarHBondContact O-CG2 3.28Å; F324-V328 PolarHBondContact O-N 3.42Å; F324-V340 HydrophobicContact CD1-CG1 3.91Å; F324-V340 HydrophobicContact CE1-CB 4.46Å; F324-V340 HydrophobicContact CE1-CG1 3.88Å; F324-A343 HydrophobicContact CE1-CB 3.9Å; F324-A343 HydrophobicContact CZ-CB 3.65Å
325G97.5Very high95.5Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-57.2-51.4175.400000112.7M321 V322 S323 R327 V328 L329M321-G325 PolarHBondContact O-N 3.11Å; V322-G325 PolarHBondContact O-N 3.01Å; S323-G325 VanDerWaalsContact C-N 3.34Å; G325-R327 VanDerWaalsContact C-N 3.29Å; G325-R327 PolarHBondContact O-N 2.79Å; G325-V328 PolarHBondContact O-N 2.87Å; G325-L329 WeakPolarHBondContact O-CG 3.32Å; G325-L329 PolarHBondContact O-N 2.79Å
326R97.8Very high96Very high15 Ų1521.7 Ų21.76%0.05711%0.105CC..Hα-helixtrans-53.4-46.4174.6-75.9173.361.1802.2111.7L187 E190 V322 S323 L329 C330 L415 G416 L417L187-R326 PolarHBondContact O-NH2 3.12Å; E190-R326 IonicContact OE2-CZ 2.72Å; E190-R326 IonicContact OE2-NE 3.9Å; E190-R326 PolarHBondContact OE2-NE 3.48Å; E190-R326 IonicContact OE2-NH2 2.62Å; V322-R326 WeakPolarHBondContact O-CB 3.42Å; V322-R326 WeakPolarHBondContact O-CG 3.19Å; V322-R326 PolarHBondContact O-N 2.91Å; S323-R326 PolarHBondContact O-N 3.05Å; R326-L329 CarbonylContact O-C 3.58Å; R326-L329 PolarHBondContact O-N 2.83Å; R326-L329 VanDerWaalsContact O-N 3.14Å; R326-C330 PolarHBondContact O-N 2.83Å; R326-C330 PolarHBondContact O-SG 2.77Å; R326-L415 VanDerWaalsContact CD-O 3.29Å; R326-L415 WeakPolarHBondContact CD-O 3.47Å; R326-L415 HydrophobicContact CG-CB 4.09Å; R326-L415 HydrophobicContact CG-CD2 4.27Å; R326-L415 VanDerWaalsContact CG-O 3.27Å; R326-L415 WeakPolarHBondContact CG-O 3.22Å; R326-L415 PolarHBondContact NH1-O 2.98Å; R326-G416 PolarHBondContact NH1-O 3.14Å; R326-G416 VanDerWaalsContact NH1-O 3.15Å; R326-L417 HydrophobicContact CB-CD1 4.47Å; R326-L417 HydrophobicContact CG-CD1 4.2Å; R326-L417 HydrophobicContact CG-CG 4.49Å
327R97.9Very high96.4Very high0 Ų019.4 Ų19.40%09%0.091CC..Hα-helixtrans-70.9-37.7-174.9-66-17980.475.34.5112.8D170 E190 K303 L304 C309 S323 F324 G325 L329 C330 Y331 P332D170-R327 IonicContact OD2-NH2 3.68Å; D170-R327 PolarHBondContact OD2-NH2 3.37Å; E190-R327 HydrophobicContact CG-CG 4.04Å; E190-R327 VanDerWaalsContact OE1-CD 3.25Å; E190-R327 WeakPolarHBondContact OE1-CD 3.26Å; E190-R327 VanDerWaalsContact OE1-CG 3.29Å; E190-R327 WeakPolarHBondContact OE1-CG 3.24Å; E190-R327 IonicContact OE1-CZ 3.74Å; E190-R327 IonicContact OE1-NE 3.29Å; E190-R327 IonicContact OE1-NH1 2.72Å; E190-R327 PolarHBondContact OE1-NH1 2.69Å; K303-R327 PolarHBondContact O-NE 2.79Å; K303-R327 PolarHBondContact O-NH2 2.88Å; L304-R327 HydrophobicContact CD2-CB 4.06Å; C309-R327 PolarHBondContact SG-NH2 2.89Å; S323-R327 VanDerWaalsContact O-CG 3.22Å; S323-R327 WeakPolarHBondContact O-CG 3.38Å; S323-R327 PolarHBondContact O-N 3.28Å; F324-R327 PolarHBondContact O-N 2.84Å; G325-R327 VanDerWaalsContact C-N 3.29Å; G325-R327 PolarHBondContact O-N 2.79Å; R327-L329 PolarHBondContact O-N 2.6Å; R327-C330 PolarHBondContact O-N 3.44Å; R327-C330 VanDerWaalsContact O-N 3.1Å; R327-Y331 HydrophobicContact CB-CD2 3.94Å; R327-Y331 HydrophobicContact CB-CE2 4.19Å; R327-Y331 HydrophobicContact CG-CD2 4.21Å; R327-Y331 HydrophobicContact CG-CE2 3.94Å; R327-Y331 PolarHBondContact NH1-OH 2.85Å; R327-Y331 WeakPolarHBondContact O-CD2 3.36Å; R327-Y331 PolarHBondContact O-N 2.78Å; R327-P332 WeakPolarHBondContact O-CD 3.45Å
328V98.1Very high96.6Very high0 Ų023.6 Ų23.60%011%0.109CC..Hα-helixtrans-59.1-33.3170.2169.70000111.4Y284 L304 F324 G325 P332 R335 V340Y284-V328 HydrophobicContact CD2-CG1 3.97Å; Y284-V328 HydrophobicContact CD2-CG2 3.81Å; Y284-V328 HydrophobicContact CE2-CB 4.44Å; Y284-V328 HydrophobicContact CE2-CG1 3.53Å; Y284-V328 HydrophobicContact CE2-CG2 4.1Å; Y284-V328 HydrophobicContact CG-CG2 4.32Å; L304-V328 HydrophobicContact CD1-CG2 4.26Å; L304-V328 HydrophobicContact CD2-CB 4.43Å; L304-V328 HydrophobicContact CD2-CG2 3.82Å; F324-V328 HydrophobicContact CD2-CG2 4.08Å; F324-V328 HydrophobicContact CE1-CG2 4.31Å; F324-V328 HydrophobicContact CE2-CG2 3.61Å; F324-V328 HydrophobicContact CZ-CG2 3.74Å; F324-V328 WeakPolarHBondContact O-CG2 3.28Å; F324-V328 PolarHBondContact O-N 3.42Å; G325-V328 PolarHBondContact O-N 2.87Å; V328-P332 VanDerWaalsContact O-CD 3.23Å; V328-P332 WeakPolarHBondContact O-CD 3.42Å; V328-P332 VanDerWaalsContact O-CG 3.22Å; V328-P332 WeakPolarHBondContact O-CG 3.43Å; V328-R335 WeakPolarHBondContact O-CA 3.39Å; V328-V340 HydrophobicContact CB-CG2 3.74Å; V328-V340 HydrophobicContact CG1-CG2 3.61Å; V328-V340 HydrophobicContact CG2-CG2 4.24Å
329L97.8Very high96.8Very high0 Ų021 Ų210%010%0.097CC..THydrogen-bonded Turntrans-86.2-1.1177.6-56.5-174.6000114.8F194 Y199 G325 R326 R327 R335 L415 L417 L419F194-L329 WeakPolarHBondContact CD2-O 3.37Å; F194-L329 HydrophobicContact CE2-CB 4.5Å; Y199-L329 HydrophobicContact CD2-CD1 4.45Å; Y199-L329 HydrophobicContact CD2-CD2 4.03Å; Y199-L329 HydrophobicContact CE2-CD1 3.99Å; Y199-L329 HydrophobicContact CE2-CD2 3.77Å; Y199-L329 HydrophobicContact CE2-CG 4.41Å; G325-L329 WeakPolarHBondContact O-CG 3.32Å; G325-L329 PolarHBondContact O-N 2.79Å; R326-L329 CarbonylContact O-C 3.58Å; R326-L329 PolarHBondContact O-N 2.83Å; R326-L329 VanDerWaalsContact O-N 3.14Å; R327-L329 PolarHBondContact O-N 2.6Å; L329-R335 HydrophobicContact CD2-CB 4.48Å; L329-R335 WeakPolarHBondContact CD2-O 3.47Å; L329-L415 HydrophobicContact CD1-CD1 3.63Å; L329-L417 HydrophobicContact CB-CD1 4.28Å; L329-L417 HydrophobicContact CD1-CD1 4.46Å; L329-L419 HydrophobicContact CD1-CD1 3.36Å; L329-L419 HydrophobicContact CD1-CD2 4.26Å; L329-L419 HydrophobicContact CD1-CG 4.46Å
330C97.5Very high96.9Very high0 Ų018.3 Ų18.30%08%0.084CC..THydrogen-bonded Turntrans-117-36.3-177.1-65.10000114.4K193 R326 R327K193-C330 HydrophobicContact CG-CB 4.35Å; K193-C330 PolarHBondContact NZ-O 3.43Å; R326-C330 PolarHBondContact O-N 2.83Å; R326-C330 PolarHBondContact O-SG 2.77Å; R327-C330 PolarHBondContact O-N 3.44Å; R327-C330 VanDerWaalsContact O-N 3.1Å
331Y97.1Very high97Very high27 Ų2721.9 Ų21.911%0.10610%0.102CC..SBendtrans-107.7-54.1-165.3-64.2-83.3000116E190 K193 W299 R327E190-Y331 HydrophobicContact CG-CE2 4.12Å; K193-Y331 HydrophobicContact CB-CE1 4.31Å; K193-Y331 HydrophobicContact CG-CD1 3.94Å; K193-Y331 HydrophobicContact CG-CE1 3.69Å; W299-Y331 WeakPolarHBondContact CH2-O 3.06Å; R327-Y331 HydrophobicContact CB-CD2 3.94Å; R327-Y331 HydrophobicContact CB-CE2 4.19Å; R327-Y331 HydrophobicContact CG-CD2 4.21Å; R327-Y331 HydrophobicContact CG-CE2 3.94Å; R327-Y331 PolarHBondContact NH1-OH 2.85Å; R327-Y331 WeakPolarHBondContact O-CD2 3.36Å; R327-Y331 PolarHBondContact O-N 2.78Å
332P96.5Very high97Very high3 Ų324.8 Ų24.82%0.01911%0.114CC..SBendtrans-76.2178.7-168.135.1-38.5000112.4Y284 L304 R327 V328 R335Y284-P332 HydrophobicContact CE1-CB 3.92Å; Y284-P332 HydrophobicContact CE1-CG 4.14Å; Y284-P332 VanDerWaalsContact OH-CB 3.31Å; Y284-P332 WeakPolarHBondContact OH-CB 3.32Å; Y284-P332 VanDerWaalsContact OH-CG 3.26Å; Y284-P332 WeakPolarHBondContact OH-CG 3.21Å; L304-P332 HydrophobicContact CD2-CG 4.28Å; R327-P332 WeakPolarHBondContact O-CD 3.45Å; V328-P332 VanDerWaalsContact O-CD 3.23Å; V328-P332 WeakPolarHBondContact O-CD 3.42Å; V328-P332 VanDerWaalsContact O-CG 3.22Å; V328-P332 WeakPolarHBondContact O-CG 3.43Å; P332-R335 WeakPolarHBondContact O-CG 3.27Å; P332-R335 PolarHBondContact O-NE 3.07Å
333L95.3Very high97.1Very high105 Ų10523.7 Ų23.755%0.5511%0.108SC..SBendtrans-62.4-45.6178.4-178.362000113H198H198-L333 PolarHBondContact NE2-O 3.4Å
334Y96.3Very high97.1Very high60 Ų6023.8 Ų23.824%0.23511%0.108CC..  trans-109.2102.4-175.8-60-65.9000112.1A208 I209 I212 Y284 V288 H336A208-Y334 HydrophobicContact CB-CE1 3.95Å; I209-Y334 HydrophobicContact CD1-CD1 4.39Å; I209-Y334 HydrophobicContact CG1-CD1 3.94Å; I209-Y334 HydrophobicContact CG1-CG 4.27Å; I212-Y334 HydrophobicContact CD1-CD2 3.63Å; I212-Y334 HydrophobicContact CD1-CE2 3.45Å; I212-Y334 VanDerWaalsContact CD1-CE2 3.45Å; I212-Y334 HydrophobicContact CD1-CG 4.25Å; Y284-Y334 PolarHBondContact OH-O 2.87Å; V288-Y334 HydrophobicContact CG1-CD2 3.77Å; V288-Y334 HydrophobicContact CG1-CE2 4.03Å; V288-Y334 HydrophobicContact CG2-CD2 4.19Å; Y334-H336 PolarHBondContact O-N 2.96Å
335R96.6Very high97Very high16 Ų1626.3 Ų26.36%0.0613%0.126CC..  trans-100.164.9-168.7-58.4-175.3-170.1155.318.3111.7D195 H198 Y199 D202 V328 L329 P332D195-R335 IonicContact OD2-NH1 2.68Å; H198-R335 VanDerWaalsContact CB-NH1 3.29Å; H198-R335 PolarHBondContact CE1-NH2 3.1Å; H198-R335 PolarHBondContact ND1-NH1 3.01Å; H198-R335 PolarHBondContact ND1-NH2 3.32Å; Y199-R335 VanDerWaalsContact CD2-O 3.25Å; Y199-R335 WeakPolarHBondContact CD2-O 3.2Å; Y199-R335 WeakPolarHBondContact CE2-O 3.25Å; D202-R335 WeakPolarHBondContact OD2-CA 3.46Å; D202-R335 VanDerWaalsContact OD2-CB 3.28Å; D202-R335 WeakPolarHBondContact OD2-CB 3.22Å; D202-R335 PolarHBondContact OD2-N 3.49Å; V328-R335 WeakPolarHBondContact O-CA 3.39Å; L329-R335 HydrophobicContact CD2-CB 4.48Å; L329-R335 WeakPolarHBondContact CD2-O 3.47Å; P332-R335 WeakPolarHBondContact O-CG 3.27Å; P332-R335 PolarHBondContact O-NE 3.07Å
336H96.5Very high97Very high4 Ų426.3 Ų26.32%0.01913%0.126CC..  trans-122.4130.4-171.2-160.6-93.9000115.3D202 F203 I209 Y334 K338 L339D202-H336 PolarHBondContact O-CD2 3.16Å; D202-H336 VanDerWaalsContact O-CD2 3.29Å; F203-H336 AromaticContact CD2-NE2 3.87Å; I209-H336 HydrophobicContact CD1-CB 3.81Å; I209-H336 HydrophobicContact CG1-CB 4.33Å; I209-H336 HydrophobicContact CG2-CB 3.93Å; Y334-H336 PolarHBondContact O-N 2.96Å; H336-K338 VanDerWaalsContact C-N 3.31Å; H336-K338 WeakPolarHBondContact CE1-CD 3.29Å; H336-K338 VanDerWaalsContact CE1-CG 3.41Å; H336-K338 WeakPolarHBondContact CE1-CG 3.4Å; H336-K338 WeakPolarHBondContact ND1-CB 3.26Å; H336-K338 PolarHBondContact ND1-N 2.69Å; H336-K338 PolarHBondContact O-N 3.3Å; H336-L339 HydrophobicContact CB-CD1 4.15Å; H336-L339 HydrophobicContact CB-CG 4.37Å; H336-L339 WeakPolarHBondContact O-CB 3.23Å; H336-L339 PolarHBondContact O-N 2.85Å
337F96.8Very high97Very high26 Ų2625.6 Ų25.611%0.11412%0.123CC..Hα-helixtrans-62.4-31.5-175.1-173.3-98.4000113.8L339 V340 M341 L410 K412 L415F337-L339 PolarHBondContact O-N 3.28Å; F337-V340 WeakPolarHBondContact O-CB 3.48Å; F337-V340 PolarHBondContact O-N 3.48Å; F337-M341 HydrophobicContact CD1-CG 4.11Å; F337-M341 HydrophobicContact CE1-CG 3.64Å; F337-M341 HydrophobicContact CE1-SD 4.09Å; F337-M341 HydrophobicContact CZ-CG 4.03Å; F337-M341 HydrophobicContact CZ-SD 3.91Å; F337-M341 PolarHBondContact O-N 2.81Å; F337-L410 HydrophobicContact CE2-CD2 4.26Å; F337-L410 HydrophobicContact CE2-CG 4.34Å; F337-L410 HydrophobicContact CZ-CG 4.39Å; F337-K412 HydrophobicContact CD1-CG 4Å; F337-K412 HydrophobicContact CD2-CG 3.97Å; F337-K412 HydrophobicContact CE1-CG 4.05Å; F337-K412 HydrophobicContact CE2-CG 4.02Å; F337-K412 HydrophobicContact CG-CG 3.96Å; F337-K412 HydrophobicContact CZ-CG 4.07Å; F337-L415 HydrophobicContact CD2-CD1 3.9Å; F337-L415 HydrophobicContact CE2-CD1 3.9Å
338K96.8Very high96.9Very high98 Ų9826.7 Ų26.743%0.42613%0.129SC..Hα-helixtrans-58.3-35.1172.8-66166.6-162.8162.60111.5D206 L213 H336 K342D206-K338 IonicContact OD2-NZ 2.59Å; D206-K338 PolarHBondContact OD2-NZ 2.62Å; L213-K338 HydrophobicContact CD1-CB 3.67Å; L213-K338 HydrophobicContact CD1-CD 3.74Å; L213-K338 HydrophobicContact CD1-CG 4.32Å; L213-K338 HydrophobicContact CD2-CB 4.1Å; H336-K338 VanDerWaalsContact C-N 3.31Å; H336-K338 WeakPolarHBondContact CE1-CD 3.29Å; H336-K338 VanDerWaalsContact CE1-CG 3.41Å; H336-K338 WeakPolarHBondContact CE1-CG 3.4Å; H336-K338 WeakPolarHBondContact ND1-CB 3.26Å; H336-K338 PolarHBondContact ND1-N 2.69Å; H336-K338 PolarHBondContact O-N 3.3Å; K338-K342 WeakPolarHBondContact O-CB 3.46Å; K338-K342 PolarHBondContact O-N 2.85Å
339L96.8Very high96.8Very high2 Ų228.2 Ų28.21%0.0114%0.135CC..Hα-helixtrans-68.5-40179.1-67.2170.8000111.6I209 I212 L213 Y284 H336 F337 K342 A343I209-L339 HydrophobicContact CG1-CD1 4.41Å; I209-L339 HydrophobicContact CG2-CD1 4.18Å; I209-L339 HydrophobicContact CG2-CD2 4.39Å; I209-L339 HydrophobicContact CG2-CG 4.08Å; I212-L339 HydrophobicContact CB-CD2 4.42Å; I212-L339 HydrophobicContact CG2-CD2 3.56Å; L213-L339 HydrophobicContact CD2-CD2 3.84Å; L213-L339 HydrophobicContact CG-CD2 4.02Å; Y284-L339 HydrophobicContact CD2-CB 4.33Å; Y284-L339 HydrophobicContact CE2-CB 4.13Å; Y284-L339 HydrophobicContact CE2-CD1 4.11Å; H336-L339 HydrophobicContact CB-CD1 4.15Å; H336-L339 HydrophobicContact CB-CG 4.37Å; H336-L339 WeakPolarHBondContact O-CB 3.23Å; H336-L339 PolarHBondContact O-N 2.85Å; F337-L339 PolarHBondContact O-N 3.28Å; L339-K342 PolarHBondContact O-N 3.18Å; L339-A343 WeakPolarHBondContact O-CB 3.5Å; L339-A343 PolarHBondContact O-N 3.39Å
340V97.4Very high96.7Very high0 Ų028.2 Ų28.20%014%0.135CC..Hα-helixtrans-55.2-55.5173.8-177.40000110.3F324 V328 F337 K342 A343 C344 L410F324-V340 HydrophobicContact CD1-CG1 3.91Å; F324-V340 HydrophobicContact CE1-CB 4.46Å; F324-V340 HydrophobicContact CE1-CG1 3.88Å; V328-V340 HydrophobicContact CB-CG2 3.74Å; V328-V340 HydrophobicContact CG1-CG2 3.61Å; V328-V340 HydrophobicContact CG2-CG2 4.24Å; F337-V340 WeakPolarHBondContact O-CB 3.48Å; F337-V340 PolarHBondContact O-N 3.48Å; V340-K342 VanDerWaalsContact C-N 3.3Å; V340-K342 PolarHBondContact O-N 2.94Å; V340-A343 PolarHBondContact O-N 2.91Å; V340-C344 PolarHBondContact O-N 3.48Å; V340-C344 PolarHBondContact O-SG 2.7Å; V340-L410 HydrophobicContact CG1-CD2 3.78Å
341M96.9Very high96.6Very high75 Ų7528.3 Ų28.337%0.36914%0.136SC..Hα-helixtrans-63-36-178.5-63.8-55.6-66.300112.5F337 S345 L410F337-M341 HydrophobicContact CD1-CG 4.11Å; F337-M341 HydrophobicContact CE1-CG 3.64Å; F337-M341 HydrophobicContact CE1-SD 4.09Å; F337-M341 HydrophobicContact CZ-CG 4.03Å; F337-M341 HydrophobicContact CZ-SD 3.91Å; F337-M341 PolarHBondContact O-N 2.81Å; M341-S345 PolarHBondContact O-N 3.26Å; M341-L410 HydrophobicContact SD-CB 4.05Å; M341-L410 HydrophobicContact SD-CD2 4.26Å
342K96.6Very high96.4Very high64 Ų6428.9 Ų28.928%0.27814%0.14SC..Hα-helixtrans-68.5-41.8176.9-165.984.5-177.7-140.20111.8L213 R287 K338 L339 V340 S345 D346L213-K342 HydrophobicContact CD2-CB 3.84Å; L213-K342 HydrophobicContact CD2-CD 4.27Å; L213-K342 HydrophobicContact CD2-CG 4.03Å; L213-K342 PolarHBondContact O-NZ 3.21Å; R287-K342 VanDerWaalsContact CZ-CE 3.46Å; R287-K342 VanDerWaalsContact CZ-CG 3.45Å; R287-K342 VanDerWaalsContact NH2-CE 3.26Å; K338-K342 WeakPolarHBondContact O-CB 3.46Å; K338-K342 PolarHBondContact O-N 2.85Å; L339-K342 PolarHBondContact O-N 3.18Å; V340-K342 VanDerWaalsContact C-N 3.3Å; V340-K342 PolarHBondContact O-N 2.94Å; K342-S345 WeakPolarHBondContact O-CB 3.29Å; K342-S345 PolarHBondContact O-N 3.07Å; K342-D346 PolarHBondContact O-N 3.45Å
343A97.3Very high96.1Very high0 Ų028.9 Ų28.90%014%0.14CC..Hα-helixtrans-63.2-44.617500000111.6C283 F324 L339 V340 S345 D346 T347C283-A343 HydrophobicContact CB-CB 4.05Å; F324-A343 HydrophobicContact CE1-CB 3.9Å; F324-A343 HydrophobicContact CZ-CB 3.65Å; L339-A343 WeakPolarHBondContact O-CB 3.5Å; L339-A343 PolarHBondContact O-N 3.39Å; V340-A343 PolarHBondContact O-N 2.91Å; A343-S345 VanDerWaalsContact C-N 3.34Å; A343-S345 PolarHBondContact O-N 3.23Å; A343-D346 PolarHBondContact O-N 3.44Å; A343-D346 VanDerWaalsContact O-N 3.07Å; A343-T347 PolarHBondContact O-N 2.76Å; A343-T347 PolarHBondContact O-OG1 2.71Å
344C96.9Very high95.8Very high5 Ų524.2 Ų24.23%0.03412%0.116CC..Hα-helixtrans-56.1-46.1172.7-63.90000112.2L280 M321 V340 D346 T347 I348L280-C344 HydrophobicContact CD2-CB 4.19Å; L280-C344 VanDerWaalsContact CD2-SG 3.57Å; M321-C344 HydrophobicContact CE-CB 4.16Å; V340-C344 PolarHBondContact O-N 3.48Å; V340-C344 PolarHBondContact O-SG 2.7Å; C344-D346 VanDerWaalsContact C-N 3.26Å; C344-D346 PolarHBondContact O-N 2.85Å; C344-T347 PolarHBondContact O-N 2.72Å; C344-I348 WeakPolarHBondContact O-CG1 3.3Å; C344-I348 PolarHBondContact O-N 2.73Å; C344-I348 VanDerWaalsContact O-N 3.08Å
345S96.5Very high95.6Very high52 Ų5224.8 Ų24.836%0.36412%0.12SC..Hα-helixtrans-59.7-35.6176-177.60000112.9M341 K342 A343 K349M341-S345 PolarHBondContact O-N 3.26Å; K342-S345 WeakPolarHBondContact O-CB 3.29Å; K342-S345 PolarHBondContact O-N 3.07Å; A343-S345 VanDerWaalsContact C-N 3.34Å; A343-S345 PolarHBondContact O-N 3.23Å; S345-K349 WeakPolarHBondContact O-CE 3.39Å; S345-K349 WeakPolarHBondContact O-CG 3.41Å; S345-K349 PolarHBondContact O-N 3.5Å
346D97.4Very high95.4Very high0 Ų025.4 Ų25.40%013%0.127CC..Hα-helixtrans-75.5-39.4177.7-78.8-25.1000113W219 C283 R287 K342 A343 C344 I348 K349 I350W219-D346 HydrophobicContact CZ2-CB 3.66Å; W219-D346 PolarHBondContact NE1-OD1 2.95Å; C283-D346 HydrophobicContact CB-CB 4.21Å; R287-D346 IonicContact CZ-OD2 3.71Å; R287-D346 IonicContact NE-OD2 2.88Å; R287-D346 PolarHBondContact NE-OD2 3.06Å; R287-D346 IonicContact NH2-OD1 2.69Å; R287-D346 IonicContact NH2-OD2 2.65Å; R287-D346 PolarHBondContact NH2-OD2 2.86Å; K342-D346 PolarHBondContact O-N 3.45Å; A343-D346 PolarHBondContact O-N 3.44Å; A343-D346 VanDerWaalsContact O-N 3.07Å; C344-D346 VanDerWaalsContact C-N 3.26Å; C344-D346 PolarHBondContact O-N 2.85Å; D346-I348 VanDerWaalsContact C-N 3.29Å; D346-I348 PolarHBondContact O-N 3.29Å; D346-K349 WeakPolarHBondContact O-CB 3.39Å; D346-K349 PolarHBondContact O-N 3.19Å; D346-K349 VanDerWaalsContact O-N 3.13Å; D346-K349 IonicContact OD1-NZ 3.78Å; D346-K349 PolarHBondContact OD1-NZ 3.12Å; D346-I350 WeakPolarHBondContact O-CG1 3.47Å; D346-I350 PolarHBondContact O-N 2.82Å
347T97.6Very high95.3Very high0 Ų025.2 Ų25.20%013%0.126CC..Hα-helixtrans-58.3-41.9172-55.60000111.3L279 L280 C283 A343 C344 K349 I350 L351 L405L279-T347 HydrophobicContact CB-CG2 3.78Å; L279-T347 HydrophobicContact CD1-CG2 4.36Å; L280-T347 WeakPolarHBondContact CD2-OG1 3.43Å; C283-T347 PolarHBondContact SG-OG1 2.66Å; C283-T347 VanDerWaalsContact SG-OG1 3.35Å; A343-T347 PolarHBondContact O-N 2.76Å; A343-T347 PolarHBondContact O-OG1 2.71Å; C344-T347 PolarHBondContact O-N 2.72Å; T347-K349 PolarHBondContact O-N 3.29Å; T347-I350 PolarHBondContact O-N 3.23Å; T347-L351 HydrophobicContact CG2-CD1 4.14Å; T347-L351 HydrophobicContact CG2-CG 4.47Å; T347-L351 WeakPolarHBondContact O-CG 3.41Å; T347-L351 PolarHBondContact O-N 3.46Å; T347-L405 HydrophobicContact CG2-CD2 3.77Å
348I96.4Very high95.3Very high24 Ų2424 Ų2412%0.12312%0.12CC..Hα-helixtrans-57.7-47.4173.8-66.5164000111.1C344 D346 I350 L351 Q352 A402 L405 K406C344-I348 WeakPolarHBondContact O-CG1 3.3Å; C344-I348 PolarHBondContact O-N 2.73Å; C344-I348 VanDerWaalsContact O-N 3.08Å; D346-I348 VanDerWaalsContact C-N 3.29Å; D346-I348 PolarHBondContact O-N 3.29Å; I348-I350 PolarHBondContact O-N 3.16Å; I348-L351 PolarHBondContact O-N 2.88Å; I348-Q352 HydrophobicContact CG2-CG 4.49Å; I348-Q352 WeakPolarHBondContact O-CB 3.39Å; I348-Q352 WeakPolarHBondContact O-CG 3.3Å; I348-Q352 PolarHBondContact O-N 3.3Å; I348-A402 HydrophobicContact CG2-CB 4.38Å; I348-L405 HydrophobicContact CD1-CG 4.27Å; I348-L405 HydrophobicContact CG1-CB 4.14Å; I348-L405 HydrophobicContact CG1-CD2 3.71Å; I348-L405 HydrophobicContact CG1-CG 3.83Å; I348-K406 HydrophobicContact CD1-CB 3.92Å
349K95.8Very high95.3Very high31 Ų3119.8 Ų19.814%0.13510%0.103CC..Hα-helixtrans-62.2-40.6178.3-65.2165.8-154.2159.10112.4Y223 S345 D346 T347 Q352 L353Y223-K349 HydrophobicContact CD1-CB 4.49Å; Y223-K349 HydrophobicContact CD1-CD 4.24Å; Y223-K349 HydrophobicContact CD1-CG 3.89Å; Y223-K349 HydrophobicContact CD2-CB 3.83Å; Y223-K349 HydrophobicContact CD2-CG 4Å; Y223-K349 HydrophobicContact CE1-CG 4.1Å; Y223-K349 HydrophobicContact CE2-CB 4.35Å; Y223-K349 HydrophobicContact CE2-CG 4.24Å; Y223-K349 HydrophobicContact CG-CB 3.93Å; Y223-K349 HydrophobicContact CG-CD 4.38Å; Y223-K349 HydrophobicContact CG-CG 3.84Å; S345-K349 WeakPolarHBondContact O-CE 3.39Å; S345-K349 WeakPolarHBondContact O-CG 3.41Å; S345-K349 PolarHBondContact O-N 3.5Å; D346-K349 WeakPolarHBondContact O-CB 3.39Å; D346-K349 PolarHBondContact O-N 3.19Å; D346-K349 VanDerWaalsContact O-N 3.13Å; D346-K349 IonicContact OD1-NZ 3.78Å; D346-K349 PolarHBondContact OD1-NZ 3.12Å; T347-K349 PolarHBondContact O-N 3.29Å; K349-Q352 PolarHBondContact O-N 3.33Å; K349-L353 WeakPolarHBondContact O-CB 3.47Å; K349-L353 WeakPolarHBondContact O-CG 3.35Å; K349-L353 PolarHBondContact O-N 3.01Å
350I96.3Very high95.2Very high0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-66.2-42.9179.1-68.1166.1000110.6W219 C283 D346 T347 I348 L353 G354 A357 V358W219-I350 HydrophobicContact CB-CG1 4.13Å; W219-I350 HydrophobicContact CD2-CD1 3.73Å; W219-I350 HydrophobicContact CD2-CG1 3.82Å; W219-I350 HydrophobicContact CE3-CD1 3.75Å; W219-I350 HydrophobicContact CE3-CG1 4.13Å; W219-I350 HydrophobicContact CG-CD1 4.29Å; W219-I350 HydrophobicContact CG-CG1 3.84Å; W219-I350 HydrophobicContact CH2-CD1 4.16Å; W219-I350 HydrophobicContact CZ2-CD1 4.14Å; W219-I350 HydrophobicContact CZ3-CD1 3.98Å; C283-I350 WeakPolarHBondContact SG-CD1 3.36Å; D346-I350 WeakPolarHBondContact O-CG1 3.47Å; D346-I350 PolarHBondContact O-N 2.82Å; T347-I350 PolarHBondContact O-N 3.23Å; I348-I350 PolarHBondContact O-N 3.16Å; I350-L353 PolarHBondContact O-N 2.79Å; I350-G354 PolarHBondContact O-N 3.04Å; I350-A357 HydrophobicContact CG2-CB 4.19Å; I350-V358 HydrophobicContact CG2-CG2 4.03Å
351L94.6Very high95.2Very high2 Ų221.4 Ų21.41%0.0111%0.11CC..Hα-helixtrans-64.4-42.4175.6-69.1171.8000111.7L279 T347 I348 L353 G354 V358 L398 L401 A402 L405L279-L351 HydrophobicContact CD1-CD2 3.93Å; L279-L351 HydrophobicContact CD1-CG 4.4Å; T347-L351 HydrophobicContact CG2-CD1 4.14Å; T347-L351 HydrophobicContact CG2-CG 4.47Å; T347-L351 WeakPolarHBondContact O-CG 3.41Å; T347-L351 PolarHBondContact O-N 3.46Å; I348-L351 PolarHBondContact O-N 2.88Å; L351-L353 PolarHBondContact O-N 3.32Å; L351-G354 WeakPolarHBondContact O-CA 3.05Å; L351-G354 PolarHBondContact O-N 3.26Å; L351-V358 HydrophobicContact CD2-CG2 4.13Å; L351-L398 HydrophobicContact CD2-CD2 4.24Å; L351-L401 HydrophobicContact CD1-CD2 4.35Å; L351-L401 HydrophobicContact CD1-CG 4.42Å; L351-L401 HydrophobicContact CD2-CD2 4.22Å; L351-A402 HydrophobicContact CB-CB 3.7Å; L351-A402 HydrophobicContact CD1-CB 4.35Å; L351-L405 HydrophobicContact CD1-CD2 4.22Å
352Q92.3Very high95.2Very high39 Ų3917.8 Ų17.818%0.1829%0.092CC..Hα-helixtrans-68.1-29.8176.2-73.6172.4-24.200113.3Y223 M226 I348 K349 G354 A402 E403Y223-Q352 HydrophobicContact CE2-CB 3.96Å; Y223-Q352 PolarHBondContact OH-OE1 2.96Å; M226-Q352 HydrophobicContact CE-CB 4.23Å; M226-Q352 WeakPolarHBondContact CE-O 3.43Å; I348-Q352 HydrophobicContact CG2-CG 4.49Å; I348-Q352 WeakPolarHBondContact O-CB 3.39Å; I348-Q352 WeakPolarHBondContact O-CG 3.3Å; I348-Q352 PolarHBondContact O-N 3.3Å; K349-Q352 PolarHBondContact O-N 3.33Å; Q352-G354 PolarHBondContact O-N 2.96Å; Q352-A402 HydrophobicContact CG-CB 3.64Å; Q352-E403 PolarHBondContact NE2-OE1 2.98Å
353L90.9Very high95.2Very high4 Ų415.2 Ų15.22%0.0218%0.081CC..THydrogen-bonded Turntrans-67.4-14.5168.9-80.1167.9000113.2W219 K222 Y223 M226 K349 I350 L351 A357W219-L353 HydrophobicContact CB-CD1 3.79Å; K222-L353 HydrophobicContact CB-CD1 4.23Å; K222-L353 HydrophobicContact CB-CD2 4.01Å; Y223-L353 HydrophobicContact CD2-CG 4.42Å; M226-L353 HydrophobicContact CB-CD2 4.24Å; M226-L353 HydrophobicContact CE-CD2 4.48Å; M226-L353 HydrophobicContact SD-CD2 3.89Å; K349-L353 WeakPolarHBondContact O-CB 3.47Å; K349-L353 WeakPolarHBondContact O-CG 3.35Å; K349-L353 PolarHBondContact O-N 3.01Å; I350-L353 PolarHBondContact O-N 2.79Å; L351-L353 PolarHBondContact O-N 3.32Å; L353-A357 HydrophobicContact CB-CB 3.53Å; L353-A357 HydrophobicContact CD1-CB 4.22Å
354G89.8Confident95.2Very high6 Ų617.1 Ų17.16%0.0629%0.091CC..  trans82.9-173.8173.300000114.9I350 L351 Q352 S356 A357 V358I350-G354 PolarHBondContact O-N 3.04Å; L351-G354 WeakPolarHBondContact O-CA 3.05Å; L351-G354 PolarHBondContact O-N 3.26Å; Q352-G354 PolarHBondContact O-N 2.96Å; G354-S356 VanDerWaalsContact C-N 3.27Å; G354-S356 PolarHBondContact O-N 3.29Å; G354-S356 VanDerWaalsContact O-N 3.09Å; G354-A357 PolarHBondContact O-N 2.95Å; G354-V358 PolarHBondContact O-N 3.11Å
355K92.4Very high95.2Very high73 Ų7316.9 Ų16.932%0.3179%0.09SC..Hα-helixtrans-57.1-32.2-164.863.1179.9175.6-175.70115.4V358 L359 I390 Q391 V393 L398K355-V358 PolarHBondContact O-N 2.66Å; K355-L359 VanDerWaalsContact O-CB 3.24Å; K355-L359 WeakPolarHBondContact O-CB 3.39Å; K355-L359 PolarHBondContact O-N 3.46Å; K355-I390 HydrophobicContact CB-CG1 4.16Å; K355-I390 WeakPolarHBondContact CB-O 3.2Å; K355-Q391 PolarHBondContact NZ-O 3.39Å; K355-V393 WeakPolarHBondContact CD-O 3.46Å; K355-L398 HydrophobicContact CB-CD1 3.89Å
356S91.8Very high95.2Very high28 Ų2814.8 Ų14.820%0.1967%0.074CC..Hα-helixtrans-67.4-34.7178-53.90000112.7G354 K360G354-S356 VanDerWaalsContact C-N 3.27Å; G354-S356 PolarHBondContact O-N 3.29Å; G354-S356 VanDerWaalsContact O-N 3.09Å; S356-K360 WeakPolarHBondContact O-CB 3.49Å; S356-K360 PolarHBondContact O-N 3.1Å; S356-K360 VanDerWaalsContact O-N 3.1Å
357A94.3Very high95.1Very high0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-70.6-47.2175.100000111.1W218 V243 I350 L353 G354 L359 K360 C361W218-A357 HydrophobicContact CH2-CB 4.22Å; V243-A357 HydrophobicContact CG2-CB 4.05Å; I350-A357 HydrophobicContact CG2-CB 4.19Å; L353-A357 HydrophobicContact CB-CB 3.53Å; L353-A357 HydrophobicContact CD1-CB 4.22Å; G354-A357 PolarHBondContact O-N 2.95Å; A357-L359 VanDerWaalsContact C-N 3.35Å; A357-L359 PolarHBondContact O-N 3.12Å; A357-K360 WeakPolarHBondContact O-CB 3.37Å; A357-K360 PolarHBondContact O-N 3.42Å; A357-K360 VanDerWaalsContact O-N 3.15Å; A357-C361 PolarHBondContact O-N 2.91Å; A357-C361 VanDerWaalsContact O-N 3.08Å; A357-C361 PolarHBondContact O-SG 2.73Å
358V96.4Very high94.9Very high0 Ų020.3 Ų20.30%010%0.099CC..Hα-helixtrans-57.3-47175.7179.40000111.2L275 L279 I350 L351 G354 K355 K360 C361 L362 I390 L398L275-V358 HydrophobicContact CD1-CG1 3.81Å; L275-V358 HydrophobicContact CD2-CG1 4Å; L275-V358 HydrophobicContact CG-CG1 4.4Å; L279-V358 HydrophobicContact CD1-CG1 4.21Å; L279-V358 HydrophobicContact CD1-CG2 4.41Å; I350-V358 HydrophobicContact CG2-CG2 4.03Å; L351-V358 HydrophobicContact CD2-CG2 4.13Å; G354-V358 PolarHBondContact O-N 3.11Å; K355-V358 PolarHBondContact O-N 2.66Å; V358-K360 VanDerWaalsContact C-N 3.31Å; V358-K360 PolarHBondContact O-N 2.91Å; V358-C361 WeakPolarHBondContact O-CB 3.29Å; V358-C361 PolarHBondContact O-N 3.36Å; V358-L362 HydrophobicContact CG1-CD1 3.9Å; V358-L362 HydrophobicContact CG1-CG 4.42Å; V358-L362 WeakPolarHBondContact O-CG 3.42Å; V358-L362 PolarHBondContact O-N 2.79Å; V358-I390 HydrophobicContact CB-CD1 4.26Å; V358-I390 HydrophobicContact CB-CG1 4.02Å; V358-I390 HydrophobicContact CG1-CD1 3.84Å; V358-I390 HydrophobicContact CG1-CG1 3.74Å; V358-L398 HydrophobicContact CG2-CD1 4.48Å
359L96Very high94.8Very high10 Ų1019.2 Ų19.25%0.0529%0.093CC..Hα-helixtrans-61.2-39177.1-179.357.8000112.1F245 L253 K355 A357 C361 L362 L363 C387 I390 Q391F245-L359 HydrophobicContact CE1-CB 4.43Å; F245-L359 HydrophobicContact CE1-CD2 4.29Å; F245-L359 HydrophobicContact CE1-CG 4.17Å; F245-L359 HydrophobicContact CZ-CB 4.34Å; F245-L359 HydrophobicContact CZ-CD2 3.88Å; F245-L359 HydrophobicContact CZ-CG 4.19Å; L253-L359 HydrophobicContact CD2-CD1 4.14Å; L253-L359 HydrophobicContact CD2-CD2 4.06Å; L253-L359 HydrophobicContact CD2-CG 4.42Å; K355-L359 VanDerWaalsContact O-CB 3.24Å; K355-L359 WeakPolarHBondContact O-CB 3.39Å; K355-L359 PolarHBondContact O-N 3.46Å; A357-L359 VanDerWaalsContact C-N 3.35Å; A357-L359 PolarHBondContact O-N 3.12Å; L359-C361 VanDerWaalsContact C-N 3.35Å; L359-C361 PolarHBondContact O-N 2.85Å; L359-L362 PolarHBondContact O-N 2.63Å; L359-L363 HydrophobicContact CD1-CD1 4.39Å; L359-L363 HydrophobicContact CD1-CG 4.21Å; L359-L363 HydrophobicContact CG-CD1 4.13Å; L359-L363 HydrophobicContact CG-CG 4.43Å; L359-L363 WeakPolarHBondContact O-CB 3.47Å; L359-L363 VanDerWaalsContact O-CG 3.29Å; L359-L363 WeakPolarHBondContact O-CG 3.5Å; L359-L363 PolarHBondContact O-N 3.41Å; L359-C387 HydrophobicContact CD1-CB 4.05Å; L359-C387 WeakPolarHBondContact CD1-O 3.3Å; L359-I390 HydrophobicContact CB-CG2 3.92Å; L359-I390 HydrophobicContact CD1-CG2 3.75Å; L359-I390 HydrophobicContact CG-CG2 4.32Å; L359-Q391 HydrophobicContact CD2-CG 3.76Å
360K95.5Very high94.6Very high36 Ų3622.9 Ų22.916%0.15711%0.11CC..Hα-helixtrans-61.6-43.2175.5-169.6170.6176.763.90111.5W218 V243 F245 E249 S356 A357 V358 D364W218-K360 HydrophobicContact CH2-CB 4.09Å; W218-K360 HydrophobicContact CH2-CD 3.82Å; W218-K360 HydrophobicContact CH2-CG 4.23Å; W218-K360 HydrophobicContact CZ2-CB 4.17Å; W218-K360 HydrophobicContact CZ2-CD 3.87Å; W218-K360 HydrophobicContact CZ2-CG 4.03Å; W218-K360 HydrophobicContact CZ3-CD 4.21Å; V243-K360 HydrophobicContact CG1-CB 4.25Å; V243-K360 HydrophobicContact CG1-CD 3.89Å; F245-K360 HydrophobicContact CE1-CB 4.05Å; E249-K360 IonicContact OE1-NZ 2.68Å; E249-K360 PolarHBondContact OE1-NZ 3.5Å; E249-K360 IonicContact OE2-NZ 3.91Å; E249-K360 PolarHBondContact OE2-NZ 3.2Å; S356-K360 WeakPolarHBondContact O-CB 3.49Å; S356-K360 PolarHBondContact O-N 3.1Å; S356-K360 VanDerWaalsContact O-N 3.1Å; A357-K360 WeakPolarHBondContact O-CB 3.37Å; A357-K360 PolarHBondContact O-N 3.42Å; A357-K360 VanDerWaalsContact O-N 3.15Å; V358-K360 VanDerWaalsContact C-N 3.31Å; V358-K360 PolarHBondContact O-N 2.91Å; K360-D364 WeakPolarHBondContact O-CB 3.24Å; K360-D364 PolarHBondContact O-N 2.68Å; K360-D364 VanDerWaalsContact O-N 3.11Å
361C97.3Very high94.3Very high0 Ų028.8 Ų28.80%014%0.138CC..Hα-helixtrans-61.9-45.8173.8-57.70000112L279 Y282 A357 V358 L359 L363 D364 I365L279-C361 HydrophobicContact CD2-CB 3.83Å; Y282-C361 HydrophobicContact CD1-CB 3.77Å; Y282-C361 HydrophobicContact CE1-CB 3.6Å; Y282-C361 VanDerWaalsContact CE1-SG 3.54Å; A357-C361 PolarHBondContact O-N 2.91Å; A357-C361 VanDerWaalsContact O-N 3.08Å; A357-C361 PolarHBondContact O-SG 2.73Å; V358-C361 WeakPolarHBondContact O-CB 3.29Å; V358-C361 PolarHBondContact O-N 3.36Å; L359-C361 VanDerWaalsContact C-N 3.35Å; L359-C361 PolarHBondContact O-N 2.85Å; C361-L363 PolarHBondContact O-N 3.11Å; C361-D364 WeakPolarHBondContact O-CB 3.47Å; C361-D364 PolarHBondContact O-N 2.65Å; C361-D364 VanDerWaalsContact O-N 3.11Å; C361-I365 VanDerWaalsContact O-CG1 3.3Å; C361-I365 WeakPolarHBondContact O-CG1 3.06Å; C361-I365 PolarHBondContact O-N 2.8Å
362L97.9Very high93.8Very high0 Ų030.7 Ų30.70%015%0.148CC..Hα-helixtrans-64.1-38.4179.6-69.1165.7000113.1L275 I278 V358 L359 D364 H366 I383 Y386 I390L275-L362 HydrophobicContact CD1-CD1 4.17Å; L275-L362 HydrophobicContact CD1-CD2 4.18Å; I278-L362 HydrophobicContact CG2-CD2 4.47Å; V358-L362 HydrophobicContact CG1-CD1 3.9Å; V358-L362 HydrophobicContact CG1-CG 4.42Å; V358-L362 WeakPolarHBondContact O-CG 3.42Å; V358-L362 PolarHBondContact O-N 2.79Å; L359-L362 PolarHBondContact O-N 2.63Å; L362-D364 VanDerWaalsContact C-N 3.28Å; L362-D364 PolarHBondContact O-N 2.81Å; L362-H366 WeakPolarHBondContact O-CB 3.17Å; L362-H366 PolarHBondContact O-N 3.49Å; L362-I383 HydrophobicContact CB-CG2 4.46Å; L362-I383 HydrophobicContact CD2-CG2 4.41Å; L362-I383 VanDerWaalsContact O-CG2 3.29Å; L362-I383 WeakPolarHBondContact O-CG2 3.14Å; L362-Y386 HydrophobicContact CD2-CG 4.44Å; L362-I390 HydrophobicContact CD1-CB 4.33Å; L362-I390 HydrophobicContact CD1-CG2 4.03Å
363L96.4Very high92.6Very high9 Ų936 Ų365%0.04718%0.178CC..Hα-helixtrans-63.1-36.9172.1-73169000111.8F245 E249 Q252 L253 F256 L359 C361 H366 K367F245-L363 HydrophobicContact CD1-CD1 4.04Å; F245-L363 HydrophobicContact CE1-CD1 4.07Å; E249-L363 HydrophobicContact CB-CD1 4.02Å; E249-L363 HydrophobicContact CG-CD1 4.23Å; Q252-L363 HydrophobicContact CB-CD2 4.46Å; Q252-L363 HydrophobicContact CG-CD2 4.32Å; L253-L363 HydrophobicContact CD1-CD1 4.1Å; L253-L363 HydrophobicContact CD2-CD1 4.17Å; L253-L363 HydrophobicContact CD2-CD2 4.04Å; L253-L363 HydrophobicContact CG-CD1 4.02Å; L253-L363 HydrophobicContact CG-CD2 4.14Å; F256-L363 HydrophobicContact CE2-CD2 3.78Å; F256-L363 HydrophobicContact CZ-CD2 4.33Å; L359-L363 HydrophobicContact CD1-CD1 4.39Å; L359-L363 HydrophobicContact CD1-CG 4.21Å; L359-L363 HydrophobicContact CG-CD1 4.13Å; L359-L363 HydrophobicContact CG-CG 4.43Å; L359-L363 WeakPolarHBondContact O-CB 3.47Å; L359-L363 VanDerWaalsContact O-CG 3.29Å; L359-L363 WeakPolarHBondContact O-CG 3.5Å; L359-L363 PolarHBondContact O-N 3.41Å; C361-L363 PolarHBondContact O-N 3.11Å; L363-H366 PolarHBondContact O-N 2.87Å; L363-K367 PolarHBondContact O-N 3.09Å
364D96.4Very high92Very high41 Ų4137.2 Ų37.222%0.21919%0.186CC..Hα-helixtrans-70.9-40.3-179.3-15648.1000112.1Y282 K293 K360 C361 L362 K367 I368Y282-D364 HydrophobicContact CE2-CB 4Å; Y282-D364 VanDerWaalsContact CE2-OD2 3.31Å; Y282-D364 WeakPolarHBondContact CE2-OD2 2.94Å; Y282-D364 PolarHBondContact OH-OD2 3.42Å; K293-D364 VanDerWaalsContact CE-CG 3.44Å; K293-D364 WeakPolarHBondContact CE-OD1 3.48Å; K293-D364 WeakPolarHBondContact CE-OD2 3.34Å; K293-D364 PolarHBondContact NZ-O 2.88Å; K293-D364 IonicContact NZ-OD1 2.7Å; K293-D364 PolarHBondContact NZ-OD1 3.41Å; K293-D364 IonicContact NZ-OD2 3.51Å; K360-D364 WeakPolarHBondContact O-CB 3.24Å; K360-D364 PolarHBondContact O-N 2.68Å; K360-D364 VanDerWaalsContact O-N 3.11Å; C361-D364 WeakPolarHBondContact O-CB 3.47Å; C361-D364 PolarHBondContact O-N 2.65Å; C361-D364 VanDerWaalsContact O-N 3.11Å; L362-D364 VanDerWaalsContact C-N 3.28Å; L362-D364 PolarHBondContact O-N 2.81Å; D364-K367 PolarHBondContact O-N 3.36Å; D364-I368 WeakPolarHBondContact O-CG1 3.32Å; D364-I368 PolarHBondContact O-N 3.2Å; D364-I368 VanDerWaalsContact O-N 3.12Å
365I97.1Very high91.9Very high0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-62.6-46.3168.9-61.6164.7000110.5I278 Y282 I301 C361 K367 I368 F369 I383I278-I365 HydrophobicContact CG2-CD1 3.65Å; Y282-I365 HydrophobicContact CD2-CD1 4.03Å; Y282-I365 HydrophobicContact CD2-CG1 3.45Å; Y282-I365 VanDerWaalsContact CD2-CG1 3.45Å; Y282-I365 HydrophobicContact CE2-CG1 4.12Å; Y282-I365 HydrophobicContact CG-CD1 3.96Å; Y282-I365 HydrophobicContact CG-CG1 3.92Å; I301-I365 HydrophobicContact CD1-CG1 4.33Å; I301-I365 HydrophobicContact CG2-CG2 4.28Å; C361-I365 VanDerWaalsContact O-CG1 3.3Å; C361-I365 WeakPolarHBondContact O-CG1 3.06Å; C361-I365 PolarHBondContact O-N 2.8Å; I365-K367 PolarHBondContact O-N 3.26Å; I365-I368 WeakPolarHBondContact O-CB 3.15Å; I365-I368 PolarHBondContact O-N 3.3Å; I365-F369 HydrophobicContact CG2-CD2 3.9Å; I365-F369 HydrophobicContact CG2-CE2 3.57Å; I365-F369 HydrophobicContact CG2-CZ 3.94Å; I365-F369 PolarHBondContact O-N 3.05Å; I365-I383 HydrophobicContact CG2-CD1 3.99Å; I365-I383 HydrophobicContact CG2-CG1 4.08Å; I365-I383 HydrophobicContact CG2-CG2 4.4Å
366H96.4Very high91.6Very high8 Ų836.8 Ų36.84%0.03718%0.181CC..Hα-helixtrans-57-42178-178.9-48.8000110.8Q252 F256 L362 L363 Q370 N379 I383 S384Q252-H366 PolarHBondContact NE2-CE1 3.25Å; Q252-H366 PolarHBondContact NE2-NE2 2.73Å; Q252-H366 VanDerWaalsContact NE2-NE2 3.19Å; F256-H366 AromaticContact CE1-CD2 3.66Å; F256-H366 AromaticContact CE1-NE2 3.54Å; F256-H366 AromaticContact CZ-CD2 3.51Å; F256-H366 AromaticContact CZ-NE2 3.76Å; L362-H366 WeakPolarHBondContact O-CB 3.17Å; L362-H366 PolarHBondContact O-N 3.49Å; L363-H366 PolarHBondContact O-N 2.87Å; H366-Q370 VanDerWaalsContact O-CB 3.22Å; H366-Q370 WeakPolarHBondContact O-CB 3.49Å; H366-Q370 PolarHBondContact O-N 3.25Å; H366-N379 WeakPolarHBondContact CA-OD1 3.21Å; H366-N379 PolarHBondContact ND1-ND2 3.21Å; H366-N379 PolarHBondContact O-ND2 3.1Å; H366-I383 HydrophobicContact CB-CG2 3.89Å; H366-S384 PolarHBondContact NE2-OG 3.17Å
367K94.9Very high91.4Very high107 Ų10735.7 Ų35.747%0.46517%0.173SC..Hα-helixtrans-61.9-47.3175.1-179.1176.9173.9-174.60111.5L363 D364 I365 F369 Q370 E371L363-K367 PolarHBondContact O-N 3.09Å; D364-K367 PolarHBondContact O-N 3.36Å; I365-K367 PolarHBondContact O-N 3.26Å; K367-F369 VanDerWaalsContact C-N 3.33Å; K367-F369 PolarHBondContact O-N 3.28Å; K367-Q370 WeakPolarHBondContact O-CB 3.48Å; K367-Q370 PolarHBondContact O-N 2.82Å; K367-Q370 VanDerWaalsContact O-N 3.1Å; K367-E371 VanDerWaalsContact CE-CD 3.48Å; K367-E371 WeakPolarHBondContact CE-OE1 3.41Å; K367-E371 IonicContact NZ-OE1 3.47Å; K367-E371 WeakPolarHBondContact O-CG 3.46Å; K367-E371 PolarHBondContact O-N 3.28Å; K367-E371 VanDerWaalsContact O-N 3.1Å
368I94.9Very high91.4Very high9 Ų935.7 Ų35.75%0.04617%0.173CC..Hα-helixtrans-56.4-45.6178.5-70.4161.8000111.5K293 A298 I301 D364 I365 E371K293-I368 HydrophobicContact CD-CD1 4.04Å; K293-I368 HydrophobicContact CD-CG1 3.59Å; K293-I368 HydrophobicContact CG-CD1 4.21Å; K293-I368 HydrophobicContact CG-CG1 4.14Å; A298-I368 HydrophobicContact CB-CG2 3.73Å; I301-I368 HydrophobicContact CD1-CD1 3.64Å; I301-I368 HydrophobicContact CD1-CG2 4.32Å; D364-I368 WeakPolarHBondContact O-CG1 3.32Å; D364-I368 PolarHBondContact O-N 3.2Å; D364-I368 VanDerWaalsContact O-N 3.12Å; I365-I368 WeakPolarHBondContact O-CB 3.15Å; I365-I368 PolarHBondContact O-N 3.3Å; I368-E371 PolarHBondContact O-N 3.15Å
369F94.2Very high91.2Very high0 Ų035.8 Ų35.80%017%0.174CC..Hα-helixtrans-74.5-26.2178.2-66.5-17.2000113.4A298 I301 R302 L308 I365 K367 E371 N372 A375 Y376 L378 I383A298-F369 HydrophobicContact CB-CD1 4.1Å; A298-F369 HydrophobicContact CB-CE1 4.35Å; I301-F369 HydrophobicContact CB-CE1 4.22Å; I301-F369 HydrophobicContact CB-CZ 4.16Å; I301-F369 HydrophobicContact CG2-CE1 4.29Å; I301-F369 HydrophobicContact CG2-CZ 3.75Å; R302-F369 HydrophobicContact CB-CZ 4.46Å; L308-F369 HydrophobicContact CD1-CE2 3.92Å; L308-F369 HydrophobicContact CD1-CZ 3.78Å; I365-F369 HydrophobicContact CG2-CD2 3.9Å; I365-F369 HydrophobicContact CG2-CE2 3.57Å; I365-F369 HydrophobicContact CG2-CZ 3.94Å; I365-F369 PolarHBondContact O-N 3.05Å; K367-F369 VanDerWaalsContact C-N 3.33Å; K367-F369 PolarHBondContact O-N 3.28Å; F369-E371 VanDerWaalsContact C-N 3.31Å; F369-N372 PolarHBondContact O-N 3.47Å; F369-A375 HydrophobicContact CB-CB 4.19Å; F369-A375 HydrophobicContact CD1-CB 3.84Å; F369-A375 HydrophobicContact CG-CB 4.17Å; F369-Y376 VanDerWaalsContact O-CA 3.24Å; F369-Y376 WeakPolarHBondContact O-CA 3.49Å; F369-Y376 PolarHBondContact O-N 2.9Å; F369-Y376 VanDerWaalsContact O-N 3.1Å; F369-L378 HydrophobicContact CD2-CB 3.79Å; F369-L378 HydrophobicContact CD2-CD1 4.36Å; F369-L378 HydrophobicContact CE1-CD1 4.48Å; F369-L378 HydrophobicContact CE2-CB 3.88Å; F369-L378 HydrophobicContact CE2-CD1 3.91Å; F369-L378 HydrophobicContact CZ-CD1 3.98Å; F369-I383 HydrophobicContact CD2-CG1 3.92Å; F369-I383 HydrophobicContact CE2-CD1 4.23Å; F369-I383 HydrophobicContact CE2-CG1 3.95Å
370Q91.1Very high90.9Very high108 Ų10840 Ų4051%0.50520%0.196SC..Hα-helixtrans-71.8-27175.9-172.564.17900112.7H366 K367 N372H366-Q370 VanDerWaalsContact O-CB 3.22Å; H366-Q370 WeakPolarHBondContact O-CB 3.49Å; H366-Q370 PolarHBondContact O-N 3.25Å; K367-Q370 WeakPolarHBondContact O-CB 3.48Å; K367-Q370 PolarHBondContact O-N 2.82Å; K367-Q370 VanDerWaalsContact O-N 3.1Å; Q370-N372 VanDerWaalsContact C-N 3.35Å
371E89Confident90.6Very high125 Ų12538.5 Ų38.558%0.58419%0.19SC*.THydrogen-bonded Turntrans-88.50.3179.5-68.6171.316100112.8K367 I368 F369K367-E371 VanDerWaalsContact CE-CD 3.48Å; K367-E371 WeakPolarHBondContact CE-OE1 3.41Å; K367-E371 IonicContact NZ-OE1 3.47Å; K367-E371 WeakPolarHBondContact O-CG 3.46Å; K367-E371 PolarHBondContact O-N 3.28Å; K367-E371 VanDerWaalsContact O-N 3.1Å; I368-E371 PolarHBondContact O-N 3.15Å; F369-E371 VanDerWaalsContact C-N 3.31Å
372N84Confident90.5Very high42 Ų4238.8 Ų38.823%0.22519%0.191CC..SBendtrans-123111-177.7-175.9-96.3000110.8A298 F369 Q370 P374 A375 Y376A298-N372 HydrophobicContact CB-CB 3.84Å; F369-N372 PolarHBondContact O-N 3.47Å; Q370-N372 VanDerWaalsContact C-N 3.35Å; N372-P374 VanDerWaalsContact O-N 3.11Å; N372-P374 WeakPolarHBondContact OD1-CD 3.42Å; N372-A375 HydrophobicContact CB-CB 4.04Å; N372-A375 PolarHBondContact O-N 2.94Å; N372-A375 WeakPolarHBondContact OD1-CB 3.48Å; N372-A375 PolarHBondContact OD1-N 2.91Å; N372-Y376 PolarHBondContact O-N 3.49Å
373D67.9Low90.5Very high149 Ų14938.8 Ų38.880%0.79719%0.191SC*.THydrogen-bonded Turntrans-49.7-35-167.7-83.4-2.8000117.3Y376D373-Y376 WeakPolarHBondContact O-CD1 3.37Å; D373-Y376 WeakPolarHBondContact O-CE1 3.08Å
374P78.7Confident90.4Very high31 Ų3139.1 Ų39.120%0.20119%0.194CC..THydrogen-bonded Turntrans-91.4-30.7172.733.6-35.7000113D167 V168 N372 Y376D167-P374 HydrophobicContact CB-CB 4.48Å; V168-P374 VanDerWaalsContact CG2-C 3.48Å; V168-P374 HydrophobicContact CG2-CB 3.68Å; V168-P374 HydrophobicContact CG2-CG 4.47Å; V168-P374 WeakPolarHBondContact CG2-O 3.37Å; N372-P374 VanDerWaalsContact O-N 3.11Å; N372-P374 WeakPolarHBondContact OD1-CD 3.42Å; P374-Y376 VanDerWaalsContact C-N 3.32Å; P374-Y376 PolarHBondContact O-N 3.5Å
375A86.3Confident90.2Very high0 Ų037.3 Ų37.30%018%0.184CC..THydrogen-bonded Turntrans-73.6-16.7-170.500000114.8A298 F369 N372 I377 L378A298-A375 HydrophobicContact CB-CB 4.45Å; F369-A375 HydrophobicContact CB-CB 4.19Å; F369-A375 HydrophobicContact CD1-CB 3.84Å; F369-A375 HydrophobicContact CG-CB 4.17Å; N372-A375 HydrophobicContact CB-CB 4.04Å; N372-A375 PolarHBondContact O-N 2.94Å; N372-A375 WeakPolarHBondContact OD1-CB 3.48Å; N372-A375 PolarHBondContact OD1-N 2.91Å; A375-I377 PolarHBondContact O-N 3.14Å; A375-L378 WeakPolarHBondContact O-CB 3.35Å; A375-L378 PolarHBondContact O-N 3Å
376Y87.3Confident90.2Very high70 Ų7037.3 Ų37.328%0.27518%0.184SC..THydrogen-bonded Turntrans-55.2-28.9-178.879.7-81.4000113.2E164 F369 N372 D373 P374 L378 N379E164-Y376 WeakPolarHBondContact OE2-CE1 3.28Å; E164-Y376 PolarHBondContact OE2-OH 3.39Å; F369-Y376 VanDerWaalsContact O-CA 3.24Å; F369-Y376 WeakPolarHBondContact O-CA 3.49Å; F369-Y376 PolarHBondContact O-N 2.9Å; F369-Y376 VanDerWaalsContact O-N 3.1Å; N372-Y376 PolarHBondContact O-N 3.49Å; D373-Y376 WeakPolarHBondContact O-CD1 3.37Å; D373-Y376 WeakPolarHBondContact O-CE1 3.08Å; P374-Y376 VanDerWaalsContact C-N 3.32Å; P374-Y376 PolarHBondContact O-N 3.5Å; Y376-L378 PolarHBondContact O-N 3.47Å; Y376-L378 VanDerWaalsContact O-N 3.17Å; Y376-N379 VanDerWaalsContact O-CB 3.25Å; Y376-N379 WeakPolarHBondContact O-CB 3.46Å; Y376-N379 PolarHBondContact O-N 2.87Å
377I88.3Confident90.1Very high4 Ų437 Ų372%0.02118%0.183CC..Hα-helixtrans-59.2-29.3177.9-53.2170.9000111.3L161 E164 L165 A375 N379 D380 L381L161-I377 HydrophobicContact CB-CD1 4.35Å; L161-I377 HydrophobicContact CD1-CD1 4.11Å; L161-I377 HydrophobicContact CD1-CG1 4.42Å; L161-I377 HydrophobicContact CD1-CG2 4.39Å; E164-I377 HydrophobicContact CB-CD1 3.68Å; L165-I377 HydrophobicContact CB-CD1 4.32Å; L165-I377 HydrophobicContact CD1-CB 4.16Å; L165-I377 HydrophobicContact CD1-CD1 4.23Å; L165-I377 HydrophobicContact CD1-CG2 3.9Å; A375-I377 PolarHBondContact O-N 3.14Å; I377-N379 PolarHBondContact O-N 2.98Å; I377-D380 PolarHBondContact O-N 3.15Å; I377-L381 HydrophobicContact CG2-CD1 3.96Å; I377-L381 HydrophobicContact CG2-CG 4.15Å; I377-L381 WeakPolarHBondContact O-CB 3.39Å; I377-L381 WeakPolarHBondContact O-CG 3.4Å; I377-L381 PolarHBondContact O-N 3.36Å
378L92.6Very high89.9Confident0 Ų032.3 Ų32.30%016%0.163CC..Hα-helixtrans-67.6-23.4175-62.7177.7000113V168 R302 L308 F311 F369 A375 Y376 Y382 I383V168-L378 HydrophobicContact CG1-CD1 3.57Å; V168-L378 HydrophobicContact CG1-CD2 4.04Å; V168-L378 HydrophobicContact CG1-CG 3.71Å; R302-L378 HydrophobicContact CB-CD1 3.94Å; L308-L378 HydrophobicContact CB-CD1 4.19Å; L308-L378 HydrophobicContact CD2-CD2 4.43Å; F311-L378 HydrophobicContact CE1-CD2 4.48Å; F369-L378 HydrophobicContact CD2-CB 3.79Å; F369-L378 HydrophobicContact CD2-CD1 4.36Å; F369-L378 HydrophobicContact CE1-CD1 4.48Å; F369-L378 HydrophobicContact CE2-CB 3.88Å; F369-L378 HydrophobicContact CE2-CD1 3.91Å; F369-L378 HydrophobicContact CZ-CD1 3.98Å; A375-L378 WeakPolarHBondContact O-CB 3.35Å; A375-L378 PolarHBondContact O-N 3Å; Y376-L378 PolarHBondContact O-N 3.47Å; Y376-L378 VanDerWaalsContact O-N 3.17Å; L378-Y382 HydrophobicContact CD2-CD2 4.34Å; L378-Y382 HydrophobicContact CD2-CE2 4.49Å; L378-Y382 WeakPolarHBondContact O-CA 3.42Å; L378-Y382 PolarHBondContact O-N 3.13Å; L378-I383 PolarHBondContact O-N 3.17Å; L378-I383 VanDerWaalsContact O-N 3.09Å
379N92.9Very high89.9Confident3 Ų333 Ų332%0.01617%0.165CC..Iπ-helixtrans-66-46.8170.7-67.4-25.2000110.5H366 Y376 I377 I383 S384H366-N379 WeakPolarHBondContact CA-OD1 3.21Å; H366-N379 PolarHBondContact ND1-ND2 3.21Å; H366-N379 PolarHBondContact O-ND2 3.1Å; Y376-N379 VanDerWaalsContact O-CB 3.25Å; Y376-N379 WeakPolarHBondContact O-CB 3.46Å; Y376-N379 PolarHBondContact O-N 2.87Å; I377-N379 PolarHBondContact O-N 2.98Å; N379-I383 PolarHBondContact O-N 3.01Å; N379-S384 WeakPolarHBondContact O-CB 3.43Å; N379-S384 PolarHBondContact O-N 2.83Å; N379-S384 PolarHBondContact O-OG 3.06Å
380D88.8Confident89.9Confident98 Ų9833 Ų3352%0.52417%0.165SC..Iπ-helixtrans-74.7-27.1-178.1-71.1-18.7000113.9R154 I377R154-D380 PolarHBondContact NH2-O 3.24Å; R154-D380 VanDerWaalsContact NH2-O 3.08Å; I377-D380 PolarHBondContact O-N 3.15Å
381L91.1Very high89.8Confident4 Ų432 Ų322%0.02116%0.16CC..Iπ-helixtrans-80.8-36.8173.8-70.3178.3000113.3Y148 G149 F150 R154 V157 L165 F311 I377Y148-L381 HydrophobicContact CD2-CD2 4.31Å; Y148-L381 HydrophobicContact CE2-CD1 4.35Å; Y148-L381 HydrophobicContact CE2-CD2 3.93Å; G149-L381 CarbonylContact C-O 3.59Å; G149-L381 VanDerWaalsContact CA-O 3.31Å; G149-L381 WeakPolarHBondContact CA-O 3.41Å; F150-L381 PolarHBondContact N-O 2.76Å; R154-L381 HydrophobicContact CB-CD2 4.24Å; R154-L381 HydrophobicContact CG-CD2 4.13Å; V157-L381 HydrophobicContact CB-CD2 4.36Å; V157-L381 HydrophobicContact CG1-CD2 4.3Å; V157-L381 HydrophobicContact CG2-CD2 4.09Å; L165-L381 HydrophobicContact CD1-CD1 4.38Å; L165-L381 HydrophobicContact CD2-CD1 4.4Å; F311-L381 HydrophobicContact CE1-CD1 4.44Å; F311-L381 HydrophobicContact CZ-CD1 3.9Å; I377-L381 HydrophobicContact CG2-CD1 3.96Å; I377-L381 HydrophobicContact CG2-CG 4.15Å; I377-L381 WeakPolarHBondContact O-CB 3.39Å; I377-L381 WeakPolarHBondContact O-CG 3.4Å; I377-L381 PolarHBondContact O-N 3.36Å
382Y95.1Very high89.7Confident7 Ų729.3 Ų29.33%0.02715%0.147CC..Iπ-helixtrans-134.7-65.2-172.7-62.7-83000113.5G149 T307 L308 F311 L378 S384 D385 Y386G149-Y382 VanDerWaalsContact CA-CZ 3.42Å; G149-Y382 PolarHBondContact N-OH 2.95Å; G149-Y382 VanDerWaalsContact N-OH 3.15Å; T307-Y382 HydrophobicContact CG2-CD1 4.01Å; T307-Y382 HydrophobicContact CG2-CE1 3.68Å; T307-Y382 PolarHBondContact O-OH 3.22Å; L308-Y382 HydrophobicContact CD2-CD2 3.76Å; L308-Y382 HydrophobicContact CD2-CE2 4.38Å; L308-Y382 HydrophobicContact CD2-CG 4Å; F311-Y382 AromaticContact CD1-CE2 3.91Å; F311-Y382 HydrophobicContact CD1-CE2 3.91Å; F311-Y382 AromaticContact CD1-CZ 3.95Å; F311-Y382 WeakPolarHBondContact CD1-OH 3.44Å; F311-Y382 AromaticContact CE1-CE2 3.82Å; F311-Y382 HydrophobicContact CE1-CE2 3.82Å; F311-Y382 WeakPolarHBondContact CG-OH 3.37Å; L378-Y382 HydrophobicContact CD2-CD2 4.34Å; L378-Y382 HydrophobicContact CD2-CE2 4.49Å; L378-Y382 WeakPolarHBondContact O-CA 3.42Å; L378-Y382 PolarHBondContact O-N 3.13Å; Y382-S384 PolarHBondContact O-N 2.92Å; Y382-D385 PolarHBondContact O-N 3.02Å; Y382-Y386 HydrophobicContact CD1-CE2 4.34Å; Y382-Y386 VanDerWaalsContact O-CD2 3.3Å; Y382-Y386 WeakPolarHBondContact O-CD2 3.09Å; Y382-Y386 PolarHBondContact O-N 3.18Å
383I96.6Very high89.9Confident0 Ų027.7 Ų27.70%014%0.138CC..Iπ-helixtrans-67.5-39-157.9-46.4-58000113.1I278 L308 L362 I365 H366 F369 L378 N379 D385 Y386 C387I278-I383 HydrophobicContact CD1-CD1 4.2Å; I278-I383 HydrophobicContact CG2-CD1 4.21Å; L308-I383 HydrophobicContact CD2-CD1 4.3Å; L362-I383 HydrophobicContact CB-CG2 4.46Å; L362-I383 HydrophobicContact CD2-CG2 4.41Å; L362-I383 VanDerWaalsContact O-CG2 3.29Å; L362-I383 WeakPolarHBondContact O-CG2 3.14Å; I365-I383 HydrophobicContact CG2-CD1 3.99Å; I365-I383 HydrophobicContact CG2-CG1 4.08Å; I365-I383 HydrophobicContact CG2-CG2 4.4Å; H366-I383 HydrophobicContact CB-CG2 3.89Å; F369-I383 HydrophobicContact CD2-CG1 3.92Å; F369-I383 HydrophobicContact CE2-CD1 4.23Å; F369-I383 HydrophobicContact CE2-CG1 3.95Å; L378-I383 PolarHBondContact O-N 3.17Å; L378-I383 VanDerWaalsContact O-N 3.09Å; N379-I383 PolarHBondContact O-N 3.01Å; I383-D385 PolarHBondContact O-N 2.96Å; I383-Y386 WeakPolarHBondContact O-CB 3.15Å; I383-Y386 PolarHBondContact O-N 3.28Å; I383-C387 PolarHBondContact O-N 3.37Å; I383-C387 PolarHBondContact O-SG 3.19Å; I383-C387 VanDerWaalsContact O-SG 3.39Å
384S93.7Very high90.8Very high16 Ų1624.4 Ų24.411%0.11212%0.117CC..Hα-helixtrans-62.3-41.5177.3-65.20000112.1H366 N379 Y382 C387 V388H366-S384 PolarHBondContact NE2-OG 3.17Å; N379-S384 WeakPolarHBondContact O-CB 3.43Å; N379-S384 PolarHBondContact O-N 2.83Å; N379-S384 PolarHBondContact O-OG 3.06Å; Y382-S384 PolarHBondContact O-N 2.92Å; S384-C387 PolarHBondContact O-N 2.83Å; S384-V388 WeakPolarHBondContact O-CG2 3.29Å; S384-V388 PolarHBondContact O-N 3.09Å
385D93.8Very high91Very high3 Ų325.6 Ų25.62%0.01613%0.126CC..Hα-helixtrans-71.6-36177.3-79.2-24.1000111.3F150 R154 K259 Y261 Y382 I383 V388 W389F150-D385 HydrophobicContact CB-CB 3.8Å; F150-D385 HydrophobicContact CD1-CB 3.9Å; F150-D385 HydrophobicContact CD2-CB 3.94Å; F150-D385 HydrophobicContact CG-CB 3.59Å; R154-D385 IonicContact CZ-OD2 2.84Å; R154-D385 IonicContact NH1-OD2 2.81Å; R154-D385 PolarHBondContact NH1-OD2 3.28Å; R154-D385 IonicContact NH2-OD2 3.16Å; R154-D385 PolarHBondContact NH2-OD2 2.93Å; K259-D385 IonicContact NZ-OD1 2.7Å; K259-D385 PolarHBondContact NZ-OD1 2.96Å; K259-D385 IonicContact NZ-OD2 3.97Å; Y261-D385 HydrophobicContact CE1-CB 4.05Å; Y261-D385 VanDerWaalsContact OH-CA 3.27Å; Y261-D385 WeakPolarHBondContact OH-CA 3.43Å; Y261-D385 WeakPolarHBondContact OH-CB 3.45Å; Y261-D385 VanDerWaalsContact OH-CG 3.24Å; Y261-D385 PolarHBondContact OH-O 3.06Å; Y261-D385 PolarHBondContact OH-OD1 3.44Å; Y382-D385 PolarHBondContact O-N 3.02Å; I383-D385 PolarHBondContact O-N 2.96Å; D385-V388 PolarHBondContact O-N 3.23Å; D385-W389 VanDerWaalsContact O-CB 3.31Å; D385-W389 WeakPolarHBondContact O-CB 3.31Å; D385-W389 PolarHBondContact O-N 3.1Å
386Y96.3Very high91Very high0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-59.4-45.5169.8-88.8-66.1000113.2F150 V271 S274 L275 I278 L362 Y382 I383 V388 W389 I390F150-Y386 HydrophobicContact CD2-CD1 4.05Å; F150-Y386 AromaticContact CD2-CD2 3.82Å; F150-Y386 HydrophobicContact CD2-CD2 3.82Å; F150-Y386 HydrophobicContact CD2-CE1 4.03Å; F150-Y386 AromaticContact CD2-CE2 3.81Å; F150-Y386 HydrophobicContact CD2-CE2 3.81Å; F150-Y386 AromaticContact CD2-CG 3.9Å; F150-Y386 HydrophobicContact CD2-CG 3.9Å; F150-Y386 AromaticContact CD2-CZ 3.87Å; F150-Y386 AromaticContact CE2-CD1 3.74Å; F150-Y386 HydrophobicContact CE2-CD1 3.74Å; F150-Y386 HydrophobicContact CE2-CD2 4.36Å; F150-Y386 AromaticContact CE2-CE1 3.79Å; F150-Y386 HydrophobicContact CE2-CE1 3.79Å; F150-Y386 HydrophobicContact CE2-CE2 4.41Å; F150-Y386 HydrophobicContact CE2-CG 4Å; V271-Y386 HydrophobicContact CG1-CD1 4.42Å; V271-Y386 HydrophobicContact CG1-CE1 3.58Å; V271-Y386 PolarHBondContact O-OH 3.01Å; V271-Y386 VanDerWaalsContact O-OH 3.04Å; S274-Y386 WeakPolarHBondContact CB-OH 3.14Å; S274-Y386 PolarHBondContact OG-OH 3.04Å; L275-Y386 HydrophobicContact CB-CE1 3.96Å; L275-Y386 HydrophobicContact CD1-CD1 4.16Å; L275-Y386 HydrophobicContact CD1-CE1 4.36Å; I278-Y386 HydrophobicContact CD1-CD2 4.11Å; I278-Y386 HydrophobicContact CD1-CE2 3.72Å; L362-Y386 HydrophobicContact CD2-CG 4.44Å; Y382-Y386 HydrophobicContact CD1-CE2 4.34Å; Y382-Y386 VanDerWaalsContact O-CD2 3.3Å; Y382-Y386 WeakPolarHBondContact O-CD2 3.09Å; Y382-Y386 PolarHBondContact O-N 3.18Å; I383-Y386 WeakPolarHBondContact O-CB 3.15Å; I383-Y386 PolarHBondContact O-N 3.28Å; Y386-V388 PolarHBondContact O-N 2.89Å; Y386-W389 AromaticContact CD1-CE3 3.95Å; Y386-W389 HydrophobicContact CD1-CE3 3.95Å; Y386-W389 HydrophobicContact CD1-CZ3 4.17Å; Y386-W389 HydrophobicContact CE1-CE3 4.31Å; Y386-W389 HydrophobicContact CE1-CZ3 4.21Å; Y386-W389 PolarHBondContact O-N 2.93Å; Y386-I390 WeakPolarHBondContact O-CB 3.36Å; Y386-I390 VanDerWaalsContact O-CG2 3.28Å; Y386-I390 WeakPolarHBondContact O-CG2 3.48Å; Y386-I390 PolarHBondContact O-N 2.97Å
387C94.6Very high91Very high0 Ų031.5 Ų31.50%015%0.153CC..Hα-helixtrans-58.5-34.7177.2-78.90000112.7F256 L359 I383 S384 Q391F256-C387 HydrophobicContact CD2-CB 4.11Å; F256-C387 HydrophobicContact CE2-CB 3.6Å; F256-C387 HydrophobicContact CZ-CB 3.87Å; L359-C387 HydrophobicContact CD1-CB 4.05Å; L359-C387 WeakPolarHBondContact CD1-O 3.3Å; I383-C387 PolarHBondContact O-N 3.37Å; I383-C387 PolarHBondContact O-SG 3.19Å; I383-C387 VanDerWaalsContact O-SG 3.39Å; S384-C387 PolarHBondContact O-N 2.83Å; C387-Q391 PolarHBondContact O-NE2 2.98Å
388V91.5Very high91.1Very high9 Ų931.3 Ų31.36%0.05515%0.152CC..Hα-helixtrans-78.9-46.7176.3176.30000111.2F256 K259 Y261 S384 D385 Y386 Q391F256-V388 HydrophobicContact CB-CG2 3.73Å; F256-V388 HydrophobicContact CG-CG2 4.22Å; K259-V388 HydrophobicContact CB-CG1 4.39Å; Y261-V388 HydrophobicContact CE2-CB 4.27Å; Y261-V388 HydrophobicContact CE2-CG1 3.98Å; S384-V388 WeakPolarHBondContact O-CG2 3.29Å; S384-V388 PolarHBondContact O-N 3.09Å; D385-V388 PolarHBondContact O-N 3.23Å; Y386-V388 PolarHBondContact O-N 2.89Å; V388-Q391 PolarHBondContact O-N 3.39Å
389W93.8Very high90.9Very high24 Ų2433.4 Ų33.49%0.09117%0.169CC..Hα-helixtrans-63.7-45.2-176.5170.282000113.1F150 Y261 V271 Y272 L275 D385 Y386 Q391 K392 V393F150-W389 HydrophobicContact CE2-CB 3.98Å; F150-W389 HydrophobicContact CE2-CD2 4.27Å; F150-W389 HydrophobicContact CE2-CE3 4.42Å; F150-W389 HydrophobicContact CE2-CG 4.09Å; F150-W389 HydrophobicContact CZ-CB 3.6Å; F150-W389 AromaticContact CZ-CD1 3.89Å; F150-W389 HydrophobicContact CZ-CD2 4.06Å; F150-W389 AromaticContact CZ-CG 3.56Å; F150-W389 HydrophobicContact CZ-CG 3.56Å; Y261-W389 HydrophobicContact CD2-CB 4.06Å; Y261-W389 HydrophobicContact CE2-CB 3.89Å; V271-W389 HydrophobicContact CG1-CD2 3.84Å; V271-W389 HydrophobicContact CG1-CE3 3.88Å; V271-W389 HydrophobicContact CG1-CH2 3.61Å; V271-W389 HydrophobicContact CG1-CZ2 3.57Å; V271-W389 HydrophobicContact CG1-CZ3 3.77Å; Y272-W389 AromaticContact CD1-CH2 3.64Å; Y272-W389 HydrophobicContact CD1-CH2 3.64Å; Y272-W389 HydrophobicContact CD1-CZ2 4.18Å; Y272-W389 HydrophobicContact CD2-CH2 4.46Å; Y272-W389 HydrophobicContact CD2-CZ2 4.31Å; Y272-W389 AromaticContact CE1-CH2 3.54Å; Y272-W389 HydrophobicContact CE1-CH2 3.54Å; Y272-W389 AromaticContact CE1-CZ2 3.82Å; Y272-W389 HydrophobicContact CE1-CZ2 3.82Å; Y272-W389 HydrophobicContact CE2-CH2 4.37Å; Y272-W389 AromaticContact CE2-CZ2 3.94Å; Y272-W389 HydrophobicContact CE2-CZ2 3.94Å; Y272-W389 HydrophobicContact CG-CH2 4.11Å; Y272-W389 HydrophobicContact CG-CZ2 4.41Å; Y272-W389 AromaticContact CZ-CH2 3.92Å; Y272-W389 AromaticContact CZ-CZ2 3.68Å; L275-W389 HydrophobicContact CD2-CZ3 4.2Å; D385-W389 VanDerWaalsContact O-CB 3.31Å; D385-W389 WeakPolarHBondContact O-CB 3.31Å; D385-W389 PolarHBondContact O-N 3.1Å; Y386-W389 AromaticContact CD1-CE3 3.95Å; Y386-W389 HydrophobicContact CD1-CE3 3.95Å; Y386-W389 HydrophobicContact CD1-CZ3 4.17Å; Y386-W389 HydrophobicContact CE1-CE3 4.31Å; Y386-W389 HydrophobicContact CE1-CZ3 4.21Å; Y386-W389 PolarHBondContact O-N 2.93Å; W389-Q391 PolarHBondContact O-N 3.49Å; W389-K392 PolarHBondContact O-N 3.37Å; W389-V393 HydrophobicContact CD2-CG2 3.84Å; W389-V393 HydrophobicContact CE3-CG2 4.05Å; W389-V393 HydrophobicContact CH2-CG2 3.75Å; W389-V393 HydrophobicContact CZ2-CG2 3.5Å; W389-V393 HydrophobicContact CZ3-CG2 4.01Å
390I93.7Very high90.8Very high0 Ų036.1 Ų36.10%019%0.193CC..THydrogen-bonded Turntrans-60.9-24-175.4-165.961.5000113.3L275 K355 V358 L359 L362 Y386 K392 V393 L398L275-I390 HydrophobicContact CD2-CD1 4.21Å; K355-I390 HydrophobicContact CB-CG1 4.16Å; K355-I390 WeakPolarHBondContact CB-O 3.2Å; V358-I390 HydrophobicContact CB-CD1 4.26Å; V358-I390 HydrophobicContact CB-CG1 4.02Å; V358-I390 HydrophobicContact CG1-CD1 3.84Å; V358-I390 HydrophobicContact CG1-CG1 3.74Å; L359-I390 HydrophobicContact CB-CG2 3.92Å; L359-I390 HydrophobicContact CD1-CG2 3.75Å; L359-I390 HydrophobicContact CG-CG2 4.32Å; L362-I390 HydrophobicContact CD1-CB 4.33Å; L362-I390 HydrophobicContact CD1-CG2 4.03Å; Y386-I390 WeakPolarHBondContact O-CB 3.36Å; Y386-I390 VanDerWaalsContact O-CG2 3.28Å; Y386-I390 WeakPolarHBondContact O-CG2 3.48Å; Y386-I390 PolarHBondContact O-N 2.97Å; I390-K392 PolarHBondContact O-N 3.5Å; I390-V393 HydrophobicContact CD1-CB 4.33Å; I390-V393 HydrophobicContact CD1-CG2 4.31Å; I390-L398 HydrophobicContact CD1-CD1 4.06Å; I390-L398 HydrophobicContact CD1-CD2 3.99Å
391Q89.5Confident90.9Very high87 Ų8732.2 Ų32.241%0.40717%0.172SC..THydrogen-bonded Turntrans-65.3-28.9177.1-67.4176.961.900112.4K355 L359 C387 V388 W389K355-Q391 PolarHBondContact NZ-O 3.39Å; L359-Q391 HydrophobicContact CD2-CG 3.76Å; C387-Q391 PolarHBondContact O-NE2 2.98Å; V388-Q391 PolarHBondContact O-N 3.39Å; W389-Q391 PolarHBondContact O-N 3.49Å
392K87.9Confident91Very high68 Ų6832 Ų3230%0.29617%0.171SC..THydrogen-bonded Turntrans-90.4-25.7-177.2-58.7-176179.4-179.40113.2E118 N258 K259 W389 I390E118-K392 WeakPolarHBondContact OE1-CD 3.41Å; N258-K392 WeakPolarHBondContact OD1-CE 3.4Å; N258-K392 PolarHBondContact OD1-NZ 3.06Å; K259-K392 PolarHBondContact O-NZ 2.84Å; W389-K392 PolarHBondContact O-N 3.37Å; I390-K392 PolarHBondContact O-N 3.5Å
393V87.9Confident90.8Very high8 Ų835 Ų355%0.04819%0.185CC..SBendtrans-55.7135.7-179173.10000112.7Y272 K355 W389 I390 L398Y272-V393 HydrophobicContact CE1-CG1 4Å; K355-V393 WeakPolarHBondContact CD-O 3.46Å; W389-V393 HydrophobicContact CD2-CG2 3.84Å; W389-V393 HydrophobicContact CE3-CG2 4.05Å; W389-V393 HydrophobicContact CH2-CG2 3.75Å; W389-V393 HydrophobicContact CZ2-CG2 3.5Å; W389-V393 HydrophobicContact CZ3-CG2 4.01Å; I390-V393 HydrophobicContact CD1-CB 4.33Å; I390-V393 HydrophobicContact CD1-CG2 4.31Å; V393-L398 HydrophobicContact CG1-CD1 4.31Å; V393-L398 HydrophobicContact CG1-CD2 4.11Å; V393-L398 HydrophobicContact CG1-CG 3.91Å
394K85.9Confident90.5Very high80 Ų8037.1 Ų37.135%0.34820%0.202SC..  trans-70.6132.1170.7-64-171.7-174.7-175.60110.6D120 D122 K396 K397D120-K394 IonicContact OD1-NZ 3.79Å; D120-K394 PolarHBondContact OD1-NZ 2.96Å; D122-K394 VanDerWaalsContact CG-NZ 3.28Å; D122-K394 IonicContact OD1-NZ 2.66Å; D122-K394 PolarHBondContact OD1-NZ 3.49Å; D122-K394 IonicContact OD2-NZ 3.75Å; K394-K396 PolarHBondContact O-N 3.33Å; K394-K396 VanDerWaalsContact O-N 3.15Å; K394-K397 PolarHBondContact O-N 3.32Å; K394-K397 VanDerWaalsContact O-N 3.08Å
395S83.7Confident90.4Very high56 Ų5636.4 Ų36.439%0.39220%0.197SC..Hα-helixtrans-56.8-32.4179.7-54.80000113.9K397 L398 A399S395-K397 VanDerWaalsContact C-N 3.27Å; S395-K397 PolarHBondContact O-N 3.29Å; S395-L398 PolarHBondContact O-N 3.39Å; S395-L398 VanDerWaalsContact O-N 3.13Å; S395-A399 PolarHBondContact O-N 2.89Å
396K85.6Confident90.4Very high135 Ų13541.5 Ų41.559%0.58722%0.219SC*.Hα-helixtrans-54-40.3175.8-63.6-175.2-173.51750112.8D122 K394 A399 A400D122-K396 IonicContact OD2-NZ 2.73Å; D122-K396 PolarHBondContact OD2-NZ 3.07Å; K394-K396 PolarHBondContact O-N 3.33Å; K394-K396 VanDerWaalsContact O-N 3.15Å; K396-A399 PolarHBondContact O-N 2.9Å; K396-A400 PolarHBondContact O-N 3.45Å
397K87.6Confident90.1Very high59 Ų5948.7 Ų48.726%0.25725%0.253SS..Hα-helixtrans-69-36.2-179.6-65-81.1174.9167.60111.5D121 Y272 K394 S395 L401D121-K397 WeakPolarHBondContact O-CE 3.23Å; D121-K397 PolarHBondContact O-NZ 3.29Å; D121-K397 WeakPolarHBondContact OD2-CE 3.5Å; D121-K397 IonicContact OD2-NZ 3.42Å; D121-K397 PolarHBondContact OD2-NZ 3.43Å; Y272-K397 HydrophobicContact CE1-CB 4.18Å; K394-K397 PolarHBondContact O-N 3.32Å; K394-K397 VanDerWaalsContact O-N 3.08Å; S395-K397 VanDerWaalsContact C-N 3.27Å; S395-K397 PolarHBondContact O-N 3.29Å; K397-L401 WeakPolarHBondContact O-CB 3.24Å; K397-L401 PolarHBondContact O-N 2.87Å
398L89.9Confident89.9Confident0 Ų050.1 Ų50.10%026%0.262CS..Hα-helixtrans-69.5-38.3174.4-61.2176.4000112.1Y272 L275 L351 K355 V358 I390 V393 S395 L401 A402Y272-L398 HydrophobicContact CE1-CD2 4.33Å; L275-L398 HydrophobicContact CD2-CD2 4.33Å; L351-L398 HydrophobicContact CD2-CD2 4.24Å; K355-L398 HydrophobicContact CB-CD1 3.89Å; V358-L398 HydrophobicContact CG2-CD1 4.48Å; I390-L398 HydrophobicContact CD1-CD1 4.06Å; I390-L398 HydrophobicContact CD1-CD2 3.99Å; V393-L398 HydrophobicContact CG1-CD1 4.31Å; V393-L398 HydrophobicContact CG1-CD2 4.11Å; V393-L398 HydrophobicContact CG1-CG 3.91Å; S395-L398 PolarHBondContact O-N 3.39Å; S395-L398 VanDerWaalsContact O-N 3.13Å; L398-L401 WeakPolarHBondContact O-CB 3.31Å; L398-L401 PolarHBondContact O-N 3.39Å; L398-A402 PolarHBondContact O-N 3.07Å
399A89.1Confident89.8Confident44 Ų4453.9 Ų53.936%0.36429%0.288SS..Hα-helixtrans-63.9-46173.600000111.6S395 K396 L401 A402 E403S395-A399 PolarHBondContact O-N 2.89Å; K396-A399 PolarHBondContact O-N 2.9Å; A399-L401 VanDerWaalsContact C-N 3.29Å; A399-L401 PolarHBondContact O-N 3.48Å; A399-A402 WeakPolarHBondContact O-CB 3.39Å; A399-A402 PolarHBondContact O-N 3.1Å; A399-A402 VanDerWaalsContact O-N 3.11Å; A399-E403 PolarHBondContact O-N 3.29Å
400A90.3Very high89.7Confident61 Ų6153.2 Ų53.250%0.50429%0.287SS..Hα-helixtrans-59.9-38.1174.600000112.5K396 A404K396-A400 PolarHBondContact O-N 3.45Å; A400-A404 WeakPolarHBondContact O-CB 3.28Å; A400-A404 PolarHBondContact O-N 2.94Å
401L91.1Very high89.7Confident15 Ų1556 Ų568%0.07930%0.304CS..Hα-helixtrans-66-36.8174.8-163.569.4000112.4Y272 Y273 I276 L351 K397 L398 A399 A404 L405Y272-L401 HydrophobicContact CD1-CD2 4.1Å; Y273-L401 HydrophobicContact CD1-CD1 4.37Å; Y273-L401 HydrophobicContact CE1-CD1 4.37Å; I276-L401 HydrophobicContact CD1-CD1 3.77Å; I276-L401 HydrophobicContact CD1-CD2 4.12Å; I276-L401 HydrophobicContact CD1-CG 3.82Å; I276-L401 HydrophobicContact CG1-CD1 4.43Å; I276-L401 HydrophobicContact CG1-CD2 3.87Å; I276-L401 HydrophobicContact CG1-CG 4.09Å; L351-L401 HydrophobicContact CD1-CD2 4.35Å; L351-L401 HydrophobicContact CD1-CG 4.42Å; L351-L401 HydrophobicContact CD2-CD2 4.22Å; K397-L401 WeakPolarHBondContact O-CB 3.24Å; K397-L401 PolarHBondContact O-N 2.87Å; L398-L401 WeakPolarHBondContact O-CB 3.31Å; L398-L401 PolarHBondContact O-N 3.39Å; A399-L401 VanDerWaalsContact C-N 3.29Å; A399-L401 PolarHBondContact O-N 3.48Å; L401-A404 PolarHBondContact O-N 2.78Å; L401-L405 WeakPolarHBondContact O-CB 3.29Å; L401-L405 PolarHBondContact O-N 2.82Å
402A92.4Very high90Very high0 Ų053.9 Ų53.90%029%0.293CS..Hα-helixtrans-68.3-41.7176.700000112.4I348 L351 Q352 L398 A399 L405 K406I348-A402 HydrophobicContact CG2-CB 4.38Å; L351-A402 HydrophobicContact CB-CB 3.7Å; L351-A402 HydrophobicContact CD1-CB 4.35Å; Q352-A402 HydrophobicContact CG-CB 3.64Å; L398-A402 PolarHBondContact O-N 3.07Å; A399-A402 WeakPolarHBondContact O-CB 3.39Å; A399-A402 PolarHBondContact O-N 3.1Å; A399-A402 VanDerWaalsContact O-N 3.11Å; A402-L405 PolarHBondContact O-N 3.49Å; A402-K406 WeakPolarHBondContact O-CB 3.36Å; A402-K406 PolarHBondContact O-N 3.44Å
403E91.6Very high90.3Very high70 Ų7053.5 Ų53.533%0.32730%0.303SS..Hα-helixtrans-67-41.3174-61.8-53.4119.600111Q352 A399 L405 K406 E407Q352-E403 PolarHBondContact NE2-OE1 2.98Å; A399-E403 PolarHBondContact O-N 3.29Å; E403-L405 VanDerWaalsContact C-N 3.26Å; E403-L405 PolarHBondContact O-N 3.02Å; E403-K406 WeakPolarHBondContact O-CB 3.5Å; E403-K406 PolarHBondContact O-N 3.35Å; E403-K406 IonicContact OE1-NZ 2.6Å; E403-K406 IonicContact OE2-NZ 2.64Å; E403-K406 PolarHBondContact OE2-NZ 3.44Å; E403-E407 WeakPolarHBondContact O-CG 3.43Å; E403-E407 PolarHBondContact O-N 3.22Å
404A91.3Very high90.6Very high45 Ų4556.8 Ų56.837%0.37232%0.317SS..Hα-helixtrans-59.4-34.2173.400000113.2A400 L401 V408A400-A404 WeakPolarHBondContact O-CB 3.28Å; A400-A404 PolarHBondContact O-N 2.94Å; L401-A404 PolarHBondContact O-N 2.78Å; A404-V408 WeakPolarHBondContact O-CG2 2.76Å
405L91.3Very high90.9Very high1 Ų153.1 Ų53.11%0.00530%0.302CS..Hα-helixtrans-74.9-28.1174.3-17663000112.8I276 V317 M321 T347 I348 L351 L401 A402 E403I276-L405 HydrophobicContact CG2-CD1 4.08Å; I276-L405 HydrophobicContact CG2-CD2 4.17Å; V317-L405 HydrophobicContact CG1-CB 4.32Å; V317-L405 HydrophobicContact CG1-CD1 3.57Å; M321-L405 HydrophobicContact CE-CD1 4.42Å; M321-L405 HydrophobicContact CG-CD1 3.77Å; M321-L405 HydrophobicContact SD-CD1 3.55Å; M321-L405 VanDerWaalsContact SD-CD1 3.55Å; T347-L405 HydrophobicContact CG2-CD2 3.77Å; I348-L405 HydrophobicContact CD1-CG 4.27Å; I348-L405 HydrophobicContact CG1-CB 4.14Å; I348-L405 HydrophobicContact CG1-CD2 3.71Å; I348-L405 HydrophobicContact CG1-CG 3.83Å; L351-L405 HydrophobicContact CD1-CD2 4.22Å; L401-L405 WeakPolarHBondContact O-CB 3.29Å; L401-L405 PolarHBondContact O-N 2.82Å; A402-L405 PolarHBondContact O-N 3.49Å; E403-L405 VanDerWaalsContact C-N 3.26Å; E403-L405 PolarHBondContact O-N 3.02Å
406K92.8Very high91.4Very high109 Ų10952.6 Ų52.647%0.47431%0.305SS..Hα-helixtrans-80.2-34.1-178.9177.9-176.6144.7-145.10113.2I348 A402 E403 V408I348-K406 HydrophobicContact CD1-CB 3.92Å; A402-K406 WeakPolarHBondContact O-CB 3.36Å; A402-K406 PolarHBondContact O-N 3.44Å; E403-K406 WeakPolarHBondContact O-CB 3.5Å; E403-K406 PolarHBondContact O-N 3.35Å; E403-K406 IonicContact OE1-NZ 2.6Å; E403-K406 IonicContact OE2-NZ 2.64Å; E403-K406 PolarHBondContact OE2-NZ 3.44Å; K406-V408 PolarHBondContact O-N 2.59Å
407E90.8Very high91.8Very high151 Ų15146.7 Ų46.771%0.70628%0.28SS*.SBendtrans-70.8-16.7175.5-67.4-58.7126.700112.9E403 S409E403-E407 WeakPolarHBondContact O-CG 3.43Å; E403-E407 PolarHBondContact O-N 3.22Å; E407-S409 PolarHBondContact O-N 3.37Å
408V90.6Very high92.1Very high31 Ų3150.6 Ų50.619%0.18830%0.299CS..  trans-82.6106.1179.21780000110.9V317 H318 M321 A404 K406 L410V317-V408 HydrophobicContact CG1-CG2 4.44Å; H318-V408 HydrophobicContact CB-CG1 3.93Å; M321-V408 HydrophobicContact CE-CG1 4.38Å; M321-V408 HydrophobicContact SD-CB 3.6Å; M321-V408 HydrophobicContact SD-CG1 3.39Å; M321-V408 WeakPolarHBondContact SD-CG1 3.22Å; A404-V408 WeakPolarHBondContact O-CG2 2.76Å; K406-V408 PolarHBondContact O-N 2.59Å; V408-L410 PolarHBondContact O-N 2.63Å
409S88.6Confident92.3Very high88 Ų8850.6 Ų50.662%0.61530%0.299SS*.  trans-78.4115.2169.361.80000111.3E407 Q414E407-S409 PolarHBondContact O-N 3.37Å; S409-Q414 PolarHBondContact O-OE1 3.1Å
410L92.8Very high92.6Very high10 Ų1052.8 Ų52.85%0.05230%0.302CS..  trans-92.2132.7170.2-174.267.6000110.5M321 V322 F337 V340 M341 V408 L415M321-L410 HydrophobicContact CB-CD1 4.45Å; M321-L410 HydrophobicContact CB-CD2 4.45Å; M321-L410 HydrophobicContact CE-CB 4.13Å; V322-L410 HydrophobicContact CB-CD1 4.43Å; V322-L410 HydrophobicContact CG2-CD1 3.65Å; F337-L410 HydrophobicContact CE2-CD2 4.26Å; F337-L410 HydrophobicContact CE2-CG 4.34Å; F337-L410 HydrophobicContact CZ-CG 4.39Å; V340-L410 HydrophobicContact CG1-CD2 3.78Å; M341-L410 HydrophobicContact SD-CB 4.05Å; M341-L410 HydrophobicContact SD-CD2 4.26Å; V408-L410 PolarHBondContact O-N 2.63Å; L410-L415 HydrophobicContact CD1-CD2 3.96Å; L410-L415 HydrophobicContact CD2-CD2 4.44Å; L410-L415 HydrophobicContact CG-CD2 4.5Å
411T94.1Very high92.8Very high59 Ų5955.2 Ų55.236%0.36230%0.303SS..  trans-122.8161.6177.153.70000110.7Q414T411-Q414 PolarHBondContact O-N 3.15Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.4Å; T411-Q414 PolarHBondContact OG1-OE1 3.48Å; T411-Q414 VanDerWaalsContact OG1-OE1 3.06Å
412K95.1Very high93Very high41 Ų4156.5 Ų56.518%0.17831%0.31CS..SBendtrans-67.7-44.9-178.2-65.1-173.8-173.8-170.40111.4F337 Q414 L415 L419 E420 E423F337-K412 HydrophobicContact CD1-CG 4Å; F337-K412 HydrophobicContact CD2-CG 3.97Å; F337-K412 HydrophobicContact CE1-CG 4.05Å; F337-K412 HydrophobicContact CE2-CG 4.02Å; F337-K412 HydrophobicContact CG-CG 3.96Å; F337-K412 HydrophobicContact CZ-CG 4.07Å; K412-Q414 VanDerWaalsContact C-N 3.26Å; K412-Q414 PolarHBondContact O-N 2.92Å; K412-L415 WeakPolarHBondContact O-CB 3.49Å; K412-L415 PolarHBondContact O-N 2.8Å; K412-L419 HydrophobicContact CB-CB 4.24Å; K412-L419 HydrophobicContact CB-CD1 4.19Å; K412-L419 HydrophobicContact CD-CB 4.46Å; K412-L419 HydrophobicContact CG-CD1 4.49Å; K412-E420 HydrophobicContact CB-CG 3.75Å; K412-E420 WeakPolarHBondContact CB-OE1 3.4Å; K412-E420 HydrophobicContact CD-CG 4.38Å; K412-E423 WeakPolarHBondContact CD-OE1 3.3Å; K412-E423 IonicContact NZ-OE1 2.82Å; K412-E423 PolarHBondContact NZ-OE1 3.45Å; K412-E423 IonicContact NZ-OE2 3.85Å; K412-E423 PolarHBondContact NZ-OE2 2.68Å
413A93.9Very high93.2Very high60 Ų6057.6 Ų57.650%0.49632%0.315SS..G310 helixtrans-52-39.3174.100000114L415 G416 E420A413-L415 PolarHBondContact O-N 3.03Å; A413-L415 VanDerWaalsContact O-N 3.15Å; A413-G416 PolarHBondContact O-N 3.28Å; A413-G416 VanDerWaalsContact O-N 3.17Å; A413-E420 WeakPolarHBondContact CB-OE1 3.15Å; A413-E420 PolarHBondContact N-OE1 3.14Å
414Q93.5Very high93.4Very high77 Ų7756.7 Ų56.736%0.3632%0.319SS..G310 helixtrans-64.2-16.7178.3-77.2168.8-19.600114.3H318 V322 S409 T411 K412 G416H318-Q414 PolarHBondContact NE2-NE2 2.97Å; H318-Q414 PolarHBondContact NE2-OE1 3.19Å; V322-Q414 WeakPolarHBondContact CG1-O 3.2Å; V322-Q414 HydrophobicContact CG2-CB 4.36Å; S409-Q414 PolarHBondContact O-OE1 3.1Å; T411-Q414 PolarHBondContact O-N 3.15Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.4Å; T411-Q414 PolarHBondContact OG1-OE1 3.48Å; T411-Q414 VanDerWaalsContact OG1-OE1 3.06Å; K412-Q414 VanDerWaalsContact C-N 3.26Å; K412-Q414 PolarHBondContact O-N 2.92Å; Q414-G416 VanDerWaalsContact C-N 3.27Å; Q414-G416 PolarHBondContact O-N 2.86Å
415L93.6Very high93.6Very high3 Ų357.2 Ų57.22%0.01632%0.323CS..G310 helixtrans-74.2-18.8177.3-58.9-175.2000112.5V322 R326 L329 F337 L410 K412 A413 L417 L419V322-L415 HydrophobicContact CG1-CD2 4.29Å; V322-L415 WeakPolarHBondContact O-CD2 3.27Å; R326-L415 VanDerWaalsContact CD-O 3.29Å; R326-L415 WeakPolarHBondContact CD-O 3.47Å; R326-L415 HydrophobicContact CG-CB 4.09Å; R326-L415 HydrophobicContact CG-CD2 4.27Å; R326-L415 VanDerWaalsContact CG-O 3.27Å; R326-L415 WeakPolarHBondContact CG-O 3.22Å; R326-L415 PolarHBondContact NH1-O 2.98Å; L329-L415 HydrophobicContact CD1-CD1 3.63Å; F337-L415 HydrophobicContact CD2-CD1 3.9Å; F337-L415 HydrophobicContact CE2-CD1 3.9Å; L410-L415 HydrophobicContact CD1-CD2 3.96Å; L410-L415 HydrophobicContact CD2-CD2 4.44Å; L410-L415 HydrophobicContact CG-CD2 4.5Å; K412-L415 WeakPolarHBondContact O-CB 3.49Å; K412-L415 PolarHBondContact O-N 2.8Å; A413-L415 PolarHBondContact O-N 3.03Å; A413-L415 VanDerWaalsContact O-N 3.15Å; L415-L417 HydrophobicContact CB-CD1 4.39Å; L415-L417 HydrophobicContact CB-CG 4.44Å; L415-L419 HydrophobicContact CB-CD1 4.48Å; L415-L419 HydrophobicContact CD1-CD1 3.79Å
416G93.1Very high93.7Very high46 Ų4658 Ų5847%0.47433%0.331SS..SBendtrans60.747-179.500000112.3R326 A413 Q414R326-G416 PolarHBondContact NH1-O 3.14Å; R326-G416 VanDerWaalsContact NH1-O 3.15Å; A413-G416 PolarHBondContact O-N 3.28Å; A413-G416 VanDerWaalsContact O-N 3.17Å; Q414-G416 VanDerWaalsContact C-N 3.27Å; Q414-G416 PolarHBondContact O-N 2.86Å
417L93.4Very high93.7Very high11 Ų1156.1 Ų56.16%0.05833%0.325CS..SBendtrans-132.511179.1-63.3176.4000112F194 R326 L329 L415 L419F194-L417 HydrophobicContact CB-CD2 3.95Å; F194-L417 HydrophobicContact CD1-CB 4.4Å; F194-L417 HydrophobicContact CD1-CD2 3.97Å; F194-L417 HydrophobicContact CD2-CD1 3.89Å; F194-L417 HydrophobicContact CD2-CD2 4.16Å; F194-L417 HydrophobicContact CD2-CG 4.45Å; F194-L417 HydrophobicContact CE1-CB 4.14Å; F194-L417 HydrophobicContact CE2-CB 4.41Å; F194-L417 HydrophobicContact CE2-CD1 4.06Å; F194-L417 HydrophobicContact CG-CD1 4.34Å; F194-L417 HydrophobicContact CG-CD2 3.75Å; F194-L417 HydrophobicContact CG-CG 4.46Å; F194-L417 HydrophobicContact CZ-CB 4.16Å; R326-L417 HydrophobicContact CB-CD1 4.47Å; R326-L417 HydrophobicContact CG-CD1 4.2Å; R326-L417 HydrophobicContact CG-CG 4.49Å; L329-L417 HydrophobicContact CB-CD1 4.28Å; L329-L417 HydrophobicContact CD1-CD1 4.46Å; L415-L417 HydrophobicContact CB-CD1 4.39Å; L415-L417 HydrophobicContact CB-CG 4.44Å; L417-L419 HydrophobicContact CB-CD2 3.69Å; L417-L419 HydrophobicContact CB-CG 3.92Å; L417-L419 PolarHBondContact O-N 3.06Å; L417-L419 VanDerWaalsContact O-N 3.13Å
418E94.4Very high93.9Very high140 Ų14053.9 Ų53.965%0.65432%0.318SS*.  trans53.834.1175.9-64.7167-131.200114.1E420 E421 L422E418-E420 PolarHBondContact O-N 3.4Å; E418-E421 WeakPolarHBondContact CA-OE2 3.29Å; E418-E421 HydrophobicContact CB-CB 4.49Å; E418-E421 PolarHBondContact O-N 3.37Å; E418-L422 WeakPolarHBondContact O-CB 3.46Å; E418-L422 VanDerWaalsContact O-CG 3.27Å; E418-L422 WeakPolarHBondContact O-CG 3.48Å; E418-L422 PolarHBondContact O-N 3.49Å
419L94.9Very high93.9Very high0 Ų056.3 Ų56.30%033%0.332CS..Hα-helixtrans-67.7-33.3-172.7-52.4175.8000113.3F194 Y199 L329 K412 L415 L417 E421 E423F194-L419 HydrophobicContact CE1-CD2 4.49Å; F194-L419 HydrophobicContact CE2-CD2 3.97Å; F194-L419 HydrophobicContact CZ-CD2 3.56Å; Y199-L419 HydrophobicContact CD1-CD2 4.03Å; Y199-L419 HydrophobicContact CD2-CD2 4.47Å; Y199-L419 HydrophobicContact CE1-CB 4.26Å; Y199-L419 HydrophobicContact CE1-CD2 3.81Å; Y199-L419 HydrophobicContact CE2-CD2 4.27Å; Y199-L419 HydrophobicContact CG-CD2 4.35Å; L329-L419 HydrophobicContact CD1-CD1 3.36Å; L329-L419 HydrophobicContact CD1-CD2 4.26Å; L329-L419 HydrophobicContact CD1-CG 4.46Å; K412-L419 HydrophobicContact CB-CB 4.24Å; K412-L419 HydrophobicContact CB-CD1 4.19Å; K412-L419 HydrophobicContact CD-CB 4.46Å; K412-L419 HydrophobicContact CG-CD1 4.49Å; L415-L419 HydrophobicContact CB-CD1 4.48Å; L415-L419 HydrophobicContact CD1-CD1 3.79Å; L417-L419 HydrophobicContact CB-CD2 3.69Å; L417-L419 HydrophobicContact CB-CG 3.92Å; L417-L419 PolarHBondContact O-N 3.06Å; L417-L419 VanDerWaalsContact O-N 3.13Å; L419-E421 VanDerWaalsContact C-N 3.35Å; L419-E423 WeakPolarHBondContact O-CB 3.42Å; L419-E423 WeakPolarHBondContact O-CG 3.37Å; L419-E423 PolarHBondContact O-N 3.22Å
420E95.3Very high94Very high91 Ų9156.6 Ų56.643%0.42532%0.324SS..Hα-helixtrans-72.2-37-178.9-64.5177.3-159.900109.8K412 A413 E418 A424K412-E420 HydrophobicContact CB-CG 3.75Å; K412-E420 WeakPolarHBondContact CB-OE1 3.4Å; K412-E420 HydrophobicContact CD-CG 4.38Å; A413-E420 WeakPolarHBondContact CB-OE1 3.15Å; A413-E420 PolarHBondContact N-OE1 3.14Å; E418-E420 PolarHBondContact O-N 3.4Å; E420-A424 VanDerWaalsContact O-CB 3.25Å; E420-A424 WeakPolarHBondContact O-CB 3.34Å; E420-A424 PolarHBondContact O-N 3.11Å; E420-A424 VanDerWaalsContact O-N 3.09Å
421E95.1Very high94Very high111 Ų11162 Ų6252%0.51935%0.349SS..Hα-helixtrans-67.2-45.4172.4-60.384170.400111.9E418 L419 A424 A425E418-E421 WeakPolarHBondContact CA-OE2 3.29Å; E418-E421 HydrophobicContact CB-CB 4.49Å; E418-E421 PolarHBondContact O-N 3.37Å; L419-E421 VanDerWaalsContact C-N 3.35Å; E421-A424 PolarHBondContact O-N 3.02Å; E421-A425 VanDerWaalsContact O-CB 3.32Å; E421-A425 WeakPolarHBondContact O-CB 3.24Å; E421-A425 PolarHBondContact O-N 2.93Å
422L95Very high93.8Very high43 Ų4365.5 Ų65.523%0.22536%0.361CS..Hα-helixtrans-61.7-48176.9-74.5169.7000112.3F194 P196 L200 E418 A425 A426F194-L422 HydrophobicContact CE1-CD1 3.96Å; F194-L422 HydrophobicContact CZ-CD1 4.01Å; P196-L422 HydrophobicContact CB-CD1 4.03Å; P196-L422 HydrophobicContact CB-CD2 4.03Å; L200-L422 HydrophobicContact CD2-CB 4.45Å; E418-L422 WeakPolarHBondContact O-CB 3.46Å; E418-L422 VanDerWaalsContact O-CG 3.27Å; E418-L422 WeakPolarHBondContact O-CG 3.48Å; E418-L422 PolarHBondContact O-N 3.49Å; L422-A425 PolarHBondContact O-N 2.63Å; L422-A426 WeakPolarHBondContact O-CB 3.25Å; L422-A426 PolarHBondContact O-N 3.37Å
423E95.9Very high93.6Very high23 Ų2368.1 Ų68.111%0.10737%0.374CS..Hα-helixtrans-63.3-44.4178.2-74.2167-150.800111.9Y199 F203 K412 L419 A426 L427Y199-E423 HydrophobicContact CE1-CG 4.19Å; Y199-E423 PolarHBondContact OH-OE1 3.46Å; F203-E423 HydrophobicContact CD1-CG 4.36Å; F203-E423 HydrophobicContact CD2-CG 4.18Å; F203-E423 HydrophobicContact CE1-CB 4.44Å; F203-E423 HydrophobicContact CE1-CG 4.07Å; F203-E423 HydrophobicContact CE2-CG 3.88Å; F203-E423 HydrophobicContact CG-CG 4.41Å; F203-E423 HydrophobicContact CZ-CB 4.27Å; F203-E423 HydrophobicContact CZ-CG 3.81Å; K412-E423 WeakPolarHBondContact CD-OE1 3.3Å; K412-E423 IonicContact NZ-OE1 2.82Å; K412-E423 PolarHBondContact NZ-OE1 3.45Å; K412-E423 IonicContact NZ-OE2 3.85Å; K412-E423 PolarHBondContact NZ-OE2 2.68Å; L419-E423 WeakPolarHBondContact O-CB 3.42Å; L419-E423 WeakPolarHBondContact O-CG 3.37Å; L419-E423 PolarHBondContact O-N 3.22Å; E423-A426 PolarHBondContact O-N 3.41Å; E423-L427 WeakPolarHBondContact O-CB 3.22Å; E423-L427 VanDerWaalsContact O-CG 3.29Å; E423-L427 WeakPolarHBondContact O-CG 3.1Å; E423-L427 PolarHBondContact O-N 2.96Å
424A95.8Very high93.4Very high51 Ų5168.9 Ų68.942%0.42137%0.373SS..Hα-helixtrans-63.2-43.2177.900000111.8E420 E421 L428E420-A424 VanDerWaalsContact O-CB 3.25Å; E420-A424 WeakPolarHBondContact O-CB 3.34Å; E420-A424 PolarHBondContact O-N 3.11Å; E420-A424 VanDerWaalsContact O-N 3.09Å; E421-A424 PolarHBondContact O-N 3.02Å; A424-L428 WeakPolarHBondContact O-CG 3.4Å; A424-L428 PolarHBondContact O-N 3.47Å
425A94.6Very high93.2Very high55 Ų5568.1 Ų68.146%0.45538%0.379SS..Hα-helixtrans-62.8-44.3176.700000112E421 L422 L428 V429E421-A425 VanDerWaalsContact O-CB 3.32Å; E421-A425 WeakPolarHBondContact O-CB 3.24Å; E421-A425 PolarHBondContact O-N 2.93Å; L422-A425 PolarHBondContact O-N 2.63Å; A425-L428 PolarHBondContact O-N 2.7Å; A425-V429 WeakPolarHBondContact O-CG2 3.37Å; A425-V429 PolarHBondContact O-N 3.03Å
426A93.4Very high92.9Very high19 Ų1972.7 Ų72.716%0.15740%0.403CS..Hα-helixtrans-69.6-37.2-178.900000113L200 F204 L422 E423 V429 Q430L200-A426 HydrophobicContact CD1-CB 4.05Å; L200-A426 HydrophobicContact CD2-CB 3.8Å; F204-A426 HydrophobicContact CE2-CB 3.65Å; F204-A426 HydrophobicContact CZ-CB 3.74Å; L422-A426 WeakPolarHBondContact O-CB 3.25Å; L422-A426 PolarHBondContact O-N 3.37Å; E423-A426 PolarHBondContact O-N 3.41Å; A426-V429 PolarHBondContact O-N 3.47Å; A426-Q430 PolarHBondContact O-N 3.21Å
427L94.4Very high92.6Very high69 Ų6976.4 Ų76.436%0.36141%0.406SS..Hα-helixtrans-62.7-41.7174.1-75.6167.1000111.9F204 E423 V429 Q430 E431F204-L427 HydrophobicContact CE1-CD2 4.01Å; F204-L427 HydrophobicContact CZ-CD2 4.42Å; E423-L427 WeakPolarHBondContact O-CB 3.22Å; E423-L427 VanDerWaalsContact O-CG 3.29Å; E423-L427 WeakPolarHBondContact O-CG 3.1Å; E423-L427 PolarHBondContact O-N 2.96Å; L427-V429 VanDerWaalsContact C-N 3.35Å; L427-V429 PolarHBondContact O-N 2.98Å; L427-Q430 PolarHBondContact O-N 3.36Å; L427-E431 WeakPolarHBondContact O-CG 3.21Å; L427-E431 PolarHBondContact O-N 3.37Å
428L93.8Very high92.1Very high104 Ų10478.3 Ų78.355%0.54542%0.423SS..Hα-helixtrans-60.1-43175.5-71.5169.6000112A424 A425 Q430 E431 E432A424-L428 WeakPolarHBondContact O-CG 3.4Å; A424-L428 PolarHBondContact O-N 3.47Å; A425-L428 PolarHBondContact O-N 2.7Å; L428-Q430 VanDerWaalsContact C-N 3.34Å; L428-Q430 PolarHBondContact O-N 3.3Å; L428-E431 PolarHBondContact O-N 3.08Å; L428-E432 WeakPolarHBondContact O-CG 3.07Å; L428-E432 PolarHBondContact O-N 2.7Å
429V91.5Very high91.4Very high82 Ų8274.4 Ų74.450%0.49742%0.415SS..Hα-helixtrans-63.4-40.1175.91750000111.3A425 A426 L427 E432 E433A425-V429 WeakPolarHBondContact O-CG2 3.37Å; A425-V429 PolarHBondContact O-N 3.03Å; A426-V429 PolarHBondContact O-N 3.47Å; L427-V429 VanDerWaalsContact C-N 3.35Å; L427-V429 PolarHBondContact O-N 2.98Å; V429-E432 PolarHBondContact O-N 2.67Å; V429-E433 WeakPolarHBondContact O-CB 3.5Å; V429-E433 PolarHBondContact O-N 3.4Å
430Q90.7Very high90.4Very high93 Ų9380.9 Ų80.944%0.43545%0.445SS..Hα-helixtrans-66-38.7176.4-170.7178.567.600112.2A426 L427 L428 T434A426-Q430 PolarHBondContact O-N 3.21Å; L427-Q430 PolarHBondContact O-N 3.36Å; L428-Q430 VanDerWaalsContact C-N 3.34Å; L428-Q430 PolarHBondContact O-N 3.3Å; Q430-T434 WeakPolarHBondContact O-CB 3.25Å; Q430-T434 VanDerWaalsContact O-CG2 3.3Å; Q430-T434 WeakPolarHBondContact O-CG2 3.41Å; Q430-T434 PolarHBondContact O-N 3.41Å; Q430-T434 PolarHBondContact O-OG1 3.05Å
431E91.8Very high89.1Confident125 Ų12580.1 Ų80.158%0.58445%0.45SS*.Hα-helixtrans-64-44.1173.2-73.8-177.1-178.400111.7L427 L428 T434 A435L427-E431 WeakPolarHBondContact O-CG 3.21Å; L427-E431 PolarHBondContact O-N 3.37Å; L428-E431 PolarHBondContact O-N 3.08Å; E431-T434 WeakPolarHBondContact CA-OG1 3.48Å; E431-T434 PolarHBondContact O-N 3.1Å; E431-T434 PolarHBondContact O-OG1 2.85Å; E431-T434 VanDerWaalsContact O-OG1 3.06Å; E431-A435 VanDerWaalsContact O-CB 3.27Å; E431-A435 WeakPolarHBondContact O-CB 3.49Å; E431-A435 PolarHBondContact O-N 3.43Å
432E91.4Very high87.4Confident132 Ų13279.8 Ų79.862%0.61746%0.455SS*.Hα-helixtrans-63.5-46.3175.5-73.4-174.6178.900112.1L428 V429 T434 A435 L436L428-E432 WeakPolarHBondContact O-CG 3.07Å; L428-E432 PolarHBondContact O-N 2.7Å; V429-E432 PolarHBondContact O-N 2.67Å; E432-T434 PolarHBondContact O-N 3.46Å; E432-A435 PolarHBondContact O-N 3.17Å; E432-L436 WeakPolarHBondContact O-CB 3.32Å; E432-L436 VanDerWaalsContact O-CG 3.28Å; E432-L436 WeakPolarHBondContact O-CG 3.43Å; E432-L436 PolarHBondContact O-N 2.93Å
433E89.9Confident85.6Confident95 Ų9581.6 Ų81.644%0.44447%0.471SS..Hα-helixtrans-61.6-42.1176.3-82.5-156.2-176.700112.8V429 L436 K437V429-E433 WeakPolarHBondContact O-CB 3.5Å; V429-E433 PolarHBondContact O-N 3.4Å; E433-L436 PolarHBondContact O-N 2.97Å; E433-K437 WeakPolarHBondContact O-CB 3.37Å; E433-K437 WeakPolarHBondContact O-CD 3.2Å; E433-K437 WeakPolarHBondContact O-CG 3.27Å; E433-K437 PolarHBondContact O-N 3.06Å; E433-K437 IonicContact OE2-NZ 2.81Å; E433-K437 PolarHBondContact OE2-NZ 2.75Å
434T89.4Confident83.5Confident77 Ų7783.2 Ų83.247%0.47249%0.494SS..Hα-helixtrans-70.6-37.1179.351.60000111.5Q430 E431 E432 K437 A438Q430-T434 WeakPolarHBondContact O-CB 3.25Å; Q430-T434 VanDerWaalsContact O-CG2 3.3Å; Q430-T434 WeakPolarHBondContact O-CG2 3.41Å; Q430-T434 PolarHBondContact O-N 3.41Å; Q430-T434 PolarHBondContact O-OG1 3.05Å; E431-T434 WeakPolarHBondContact CA-OG1 3.48Å; E431-T434 PolarHBondContact O-N 3.1Å; E431-T434 PolarHBondContact O-OG1 2.85Å; E431-T434 VanDerWaalsContact O-OG1 3.06Å; E432-T434 PolarHBondContact O-N 3.46Å; T434-K437 PolarHBondContact O-N 3.19Å; T434-A438 VanDerWaalsContact O-CB 3.3Å; T434-A438 WeakPolarHBondContact O-CB 3.28Å; T434-A438 PolarHBondContact O-N 3.11Å
435A89.8Confident81.2Confident60 Ų6088.5 Ų88.550%0.49651%0.51SS..Hα-helixtrans-62.7-41.6170.900000112.1E431 E432 A438 A439E431-A435 VanDerWaalsContact O-CB 3.27Å; E431-A435 WeakPolarHBondContact O-CB 3.49Å; E431-A435 PolarHBondContact O-N 3.43Å; E432-A435 PolarHBondContact O-N 3.17Å; A435-A438 PolarHBondContact O-N 3.46Å; A435-A439 WeakPolarHBondContact O-CB 3.33Å; A435-A439 PolarHBondContact O-N 3.45Å
436L87.4Confident78.8Confident100 Ų10094.2 Ų94.252%0.52453%0.528SS..Hα-helixtrans-64.3-47.1174.1-73169.7000111.5E432 E433 A438 A439 H440E432-L436 WeakPolarHBondContact O-CB 3.32Å; E432-L436 VanDerWaalsContact O-CG 3.28Å; E432-L436 WeakPolarHBondContact O-CG 3.43Å; E432-L436 PolarHBondContact O-N 2.93Å; E433-L436 PolarHBondContact O-N 2.97Å; L436-A438 VanDerWaalsContact C-N 3.28Å; L436-A438 PolarHBondContact O-N 3.24Å; L436-A439 PolarHBondContact O-N 3.26Å; L436-H440 PolarHBondContact O-N 2.82Å; L436-H440 PolarHBondContact O-ND1 3.41Å
437K85.6Confident76.2Confident124 Ų12499.8 Ų99.854%0.53956%0.56SS.*Hα-helixtrans-60.5-37.3176.1-71161-169.9166.30111.6E433 T434 S441E433-K437 WeakPolarHBondContact O-CB 3.37Å; E433-K437 WeakPolarHBondContact O-CD 3.2Å; E433-K437 WeakPolarHBondContact O-CG 3.27Å; E433-K437 PolarHBondContact O-N 3.06Å; E433-K437 IonicContact OE2-NZ 2.81Å; E433-K437 PolarHBondContact OE2-NZ 2.75Å; T434-K437 PolarHBondContact O-N 3.19Å; K437-S441 WeakPolarHBondContact O-CB 3.42Å; K437-S441 PolarHBondContact O-N 3.4Å; K437-S441 VanDerWaalsContact O-N 3.09Å; K437-S441 PolarHBondContact O-OG 3.15Å
438A83.4Confident73.6Confident50 Ų50103.2 Ų103.241%0.41358%0.578SS.*Hα-helixtrans-66.3-44.9172.800000112.5T434 A435 L436 H440 S441 V442T434-A438 VanDerWaalsContact O-CB 3.3Å; T434-A438 WeakPolarHBondContact O-CB 3.28Å; T434-A438 PolarHBondContact O-N 3.11Å; A435-A438 PolarHBondContact O-N 3.46Å; L436-A438 VanDerWaalsContact C-N 3.28Å; L436-A438 PolarHBondContact O-N 3.24Å; A438-H440 PolarHBondContact O-N 2.93Å; A438-S441 WeakPolarHBondContact CA-OG 3.49Å; A438-S441 PolarHBondContact O-N 3.22Å; A438-S441 PolarHBondContact O-OG 3.07Å; A438-V442 WeakPolarHBondContact O-CG2 3.39Å; A438-V442 PolarHBondContact O-N 3.05Å
439A79.9Confident70.6Confident59 Ų59103.6 Ų103.649%0.48859%0.588SS.*Hα-helixtrans-62.4-41.7177.400000112.5A435 L436 V442 S443A435-A439 WeakPolarHBondContact O-CB 3.33Å; A435-A439 PolarHBondContact O-N 3.45Å; L436-A439 PolarHBondContact O-N 3.26Å; A439-V442 PolarHBondContact O-N 2.91Å; A439-S443 PolarHBondContact O-N 3.23Å
440H73.5Confident67.8Low136 Ų136105.6 Ų105.663%0.6361%0.606SS**Hα-helixtrans-67.7-38.7177.6-73.381.4000112.4L436 A438 S443 G444L436-H440 PolarHBondContact O-N 2.82Å; L436-H440 PolarHBondContact O-ND1 3.41Å; A438-H440 PolarHBondContact O-N 2.93Å; H440-S443 PolarHBondContact O-N 3.04Å; H440-G444 PolarHBondContact O-N 2.6Å; H440-G444 VanDerWaalsContact O-N 3.08Å
441S69Low65.1Low75 Ų75107.1 Ų107.152%0.52463%0.626SS.*Hα-helixtrans-70.5-32.617747.10000113.1K437 A438 G444K437-S441 WeakPolarHBondContact O-CB 3.42Å; K437-S441 PolarHBondContact O-N 3.4Å; K437-S441 VanDerWaalsContact O-N 3.09Å; K437-S441 PolarHBondContact O-OG 3.15Å; A438-S441 WeakPolarHBondContact CA-OG 3.49Å; A438-S441 PolarHBondContact O-N 3.22Å; A438-S441 PolarHBondContact O-OG 3.07Å; S441-G444 PolarHBondContact O-N 3.09Å
442V60.1Low62.5Low103 Ų103106 Ų10662%0.62463%0.632SS**Hα-helixtrans-69.3-40.1171173.40000111.6A438 A439 G444 Q445A438-V442 WeakPolarHBondContact O-CG2 3.39Å; A438-V442 PolarHBondContact O-N 3.05Å; A439-V442 PolarHBondContact O-N 2.91Å; V442-G444 VanDerWaalsContact C-N 3.26Å; V442-G444 PolarHBondContact O-N 3.44Å; V442-Q445 PolarHBondContact O-N 3.44Å
443S56Low59.9Low81 Ų81107.7 Ų107.757%0.56664%0.64SS**Hα-helixtrans-66.4-26.7176.1-1680000113.2A439 H440 Q445A439-S443 PolarHBondContact O-N 3.23Å; H440-S443 PolarHBondContact O-N 3.04Å; S443-Q445 VanDerWaalsContact C-N 3.29Å; S443-Q445 PolarHBondContact O-N 3.49Å
444G51.4Low57.2Low57 Ų57107.9 Ų107.959%0.58866%0.658SS**THydrogen-bonded Turntrans-69.2-19.2178.400000114.9H440 S441 V442H440-G444 PolarHBondContact O-N 2.6Å; H440-G444 VanDerWaalsContact O-N 3.08Å; S441-G444 PolarHBondContact O-N 3.09Å; V442-G444 VanDerWaalsContact C-N 3.26Å; V442-G444 PolarHBondContact O-N 3.44Å
445Q48.8Very low54.7Low162 Ų162108.8 Ų108.876%0.75767%0.667SS**THydrogen-bonded Turntrans-93.6-1.8-179.4-74.4-173.6-19.700114.7V442 S443V442-Q445 PolarHBondContact O-N 3.44Å; S443-Q445 VanDerWaalsContact C-N 3.29Å; S443-Q445 PolarHBondContact O-N 3.49Å
446Q42.9Very low52Low176 Ų176112.4 Ų112.482%0.82268%0.678SS**SBendtrans-96.96176.9-79.4-168.8-12.400115.3
447T38.3Very low49.7Very low135 Ų135112.1 Ų112.183%0.82869%0.685SS**  trans-102.176.1171.6-47.20000110.6
448L40.5Very low47.6Very low142 Ų142114.1 Ų114.174%0.74370%0.696SS**  trans-112.8132.6-178.7-131163.9000110.6
449C31.2Very low45.3Very low111 Ų111118.1 Ų118.175%0.7571%0.711SS**  trans55.3104.6167.4-75.70000119.2
450S32.7Very low43.4Very low125 Ų125120.4 Ų120.487%0.87472%0.723SS**  -169.989128.3-830000113.3
451S34.5Very low41.5Very low124 Ų124120.8 Ų120.887%0.86773%0.73SS**  trans168.4118.8132.958.50000110.2
452S36.7Very low40.2Very low101 Ų101122.2 Ų122.271%0.70674%0.739SS**  trans-93.5162.6169.755.70000111.7
453E37.8Very low39Very low169 Ų169123.7 Ų123.779%0.7975%0.749SS**  trans110.6124.8156.6-56.7-50119.400118.8
454A32.9Very low38.2Very low99 Ų99126.9 Ų126.982%0.81877%0.765SS**  trans65.6146159.500000119.4
455S36.3Very low37.4Very low95 Ų95130.2 Ų130.266%0.66478%0.779SS**  cis-168.6170.3-22.7-166.40000108.1
456D33.7Very low37Very low136 Ų136128 Ų12873%0.72778%0.781SS**  trans77.2120.4163.3-50.1-8.9000115.5
457S39.3Very low36.4Very low95 Ų95122.5 Ų122.566%0.66477%0.772SS**  cis78.8126.440.289.30000112
458E40.6Very low36.2Very low166 Ų166122.8 Ų122.878%0.77677%0.769SS**  cis-150.4-172.76.6-64.9-159.9137.400112
459D35.9Very low35.9Very low134 Ų134123.6 Ų123.672%0.71777%0.769SS**  trans75.5121159.2-61.8-38.4000119.5
460S38.9Very low35.9Very low107 Ų107125.3 Ų125.375%0.74877%0.771SS**  68.7134.258.3-52.40000111.4
461D33.6Very low36Very low144 Ų144124 Ų12477%0.7776%0.761SS**  cis-152.6162.124.1-166.57000111.5
462S41.4Very low35.9Very low104 Ų104125 Ų12573%0.72776%0.757SS**  trans-106.1121.3175.959.20000111.1
463T34.7Very low35.7Very low134 Ų134124.8 Ų124.882%0.82276%0.755SS**  trans-133.5133.9166.847.20000112.9
464V40.1Very low35.6Very low148 Ų148123.6 Ų123.690%0.89776%0.755SS**  trans-91.9147.3171.8-75.30000110.1
465S35.5Very low35.7Very low127 Ų127124.3 Ų124.389%0.88875%0.753SS**  trans-151.4145.6155.2-166.70000110.8
466S39.4Very low35.5Very low115 Ų115128.4 Ų128.480%0.80476%0.762SS**  trans-120.5152.7-169.153.90000112
467G30.5Very low35.4Very low62 Ų62130.1 Ų130.164%0.63977%0.766SS**  trans107.3105.714300000118.3
468N33.5Very low34.9Very low141 Ų141133.4 Ų133.475%0.75478%0.776SS**  138.3117.4110.7-84.350.2000115.1
469E34.9Very low34.4Very low158 Ų158133.4 Ų133.474%0.73878%0.776SS**  30.3125.2122-59.8171.7176.400117.1
470D30.9Very low34.1Very low148 Ų148133.2 Ų133.279%0.79177%0.774SS**  -171.2155.962.1-94.4-43.4000114.2
471S35.8Very low33.6Very low96 Ų96136.7 Ų136.767%0.67178%0.776SS**  trans18.5142.1143.6-96.80000122.2
472D32.6Very low33.2Very low145 Ų145136.8 Ų136.878%0.77578%0.776SS**  cis-177.4169.142.8-105.4-19.8000114.3
473S32Very low32.5Very low97 Ų97136.5 Ų136.568%0.67878%0.775SS**  trans77.6102.8153.4-74.60000124.1
474D34.2Very low32.8Very low145 Ų145135.8 Ų135.878%0.77577%0.772SS**  52.3128.1119.4-53-29.2000123.6
475S35.8Very low32.2Very low113 Ų113134.3 Ų134.379%0.7977%0.768SS**  -177.9118.9109.6-73.60000113.9
476E33.1Very low31.8Very low181 Ų181136.7 Ų136.785%0.84677%0.765SS**  trans64.4165.3139.5-61.2-69.3104.100122.2
477Q31.4Very low31.2Very low172 Ų172136.6 Ų136.680%0.80476%0.76SS**  trans-99.2161.7-162.9-58.4163.7-7.400113.2
478D29.1Very low31Very low165 Ų165139.2 Ų139.288%0.88276%0.763SS**  -165.2159.7123-121.9-30.5000113.7
479E29.8Very low30.7Very low166 Ų166139.3 Ų139.378%0.77676%0.764SS**  trans-95.2171.2-174.8-69.8-165.912900115.6
480L29.5Very low30.3Very low130 Ų130136.4 Ų136.468%0.68176%0.761SS**  trans106.5113.5145.3-57.1179.5000121.3
481K28.3Very low30.2Very low179 Ų179137.9 Ų137.978%0.77877%0.768SS**  64.2105.3127.5-66-179177.4176.90122.6
482D24.8Very low29.7Very low146 Ų146141.8 Ų141.878%0.78178%0.776SS**  76.1132.6106.7-147.2-11.9000122
483S26.6Very low29.3Very low99 Ų99138 Ų13869%0.69277%0.771SS**  trans78.1165.9157.9-64.30000118.5
484P41.3Very low29.5Very low119 Ų119139.6 Ų139.677%0.77378%0.779SS**  -138.1168.9-85.435.9-14.7000116.4
485S27.2Very low29Very low116 Ų116142.2 Ų142.281%0.81178%0.784SS**  trans-178.2138.7153.319.40000109.6
486E26.7Very low28.5Very low178 Ų178145 Ų14583%0.83279%0.789SS**  64.5129.654.7-100.8-173-156.500113.7
487T26.6Very low28.2Very low112 Ų112144.2 Ų144.269%0.68779%0.785SS**  cis-164-175.110.7-23.50000110.9
488V27.3Very low27.9Very low118 Ų118145.5 Ų145.572%0.71579%0.791SS**  trans85.8130.7157.2-1670000116.8
489N25.9Very low27.7Very low143 Ų143142.4 Ų142.477%0.76578%0.782SS**  cis-147.5139.8-0.5-105.9-23000107.7
490S27.1Very low27.6Very low96 Ų96140.2 Ų140.267%0.67179%0.785SS**  82.111258.8-162.10000115.8
491L28.2Very low27.3Very low180 Ų180138.4 Ų138.494%0.94279%0.789SS**  trans-144.2147.6153.4-99.5177.6000110.5
492Q26.7Very low27.2Very low178 Ų178138.2 Ų138.283%0.83280%0.796SS**  trans-89.9156.6-158.4-151.489.61300114.3
493G23.6Very low27.2Very low65 Ų65138.9 Ų138.967%0.6780%0.798SS**  trans-74.6-154.4172.900000115.4
494P36.8Very low27.2Very low131 Ų131141.9 Ų141.985%0.85181%0.805SS**  -140.615771.738.7-24.1000116.8
495F23Very low26.6Very low200 Ų200142.9 Ų142.988%0.87781%0.809SS**  trans-88.6158.2161.8-115.6-103.1000110.3
496L26.3Very low26.6Very low171 Ų171144.7 Ų144.790%0.89581%0.809SS**  trans-135.4130.1152.3-105.5172.8000109.5
497E26.6Very low26.5Very low164 Ų164139.8 Ų139.877%0.76681%0.806SS**  trans-79.1149.5172.6-81173122.800111.3
498E24.1Very low26.4Very low199 Ų199137 Ų13793%0.9380%0.801SS**  -156.3151.9128.3-120.2173.3-168.200111.2
499S26.4Very low26.4Very low100 Ų100138 Ų13870%0.69981%0.806SS**  trans-107.9164.3-165.8-67.40000114
500S25.8Very low26.3Very low120 Ų120135.4 Ų135.484%0.83980%0.799SS**  trans75115.9150-54.10000119.7
501A24.3Very low26.3Very low92 Ų92141 Ų14176%0.7681%0.805SS**  -175.3107.3123.900000112.1
502L25.3Very low26.2Very low176 Ų176138.5 Ų138.592%0.92179%0.793SS**  trans-86.3122.6157.3-85.8166.4000108.4
503L25.9Very low26.3Very low159 Ų159136.2 Ų136.283%0.83279%0.791SS**  trans-109.2107.1171-74.6174.6000110
504I26.2Very low26.4Very low162 Ų162136.6 Ų136.683%0.83179%0.788SS**PPolyproline II helixtrans-96.5133.8160.1-64.3176.6000107
505V27.9Very low26.1Very low141 Ų141136.1 Ų136.186%0.85578%0.782SS**PPolyproline II helixtrans-97.6144.4173.1173.20000110.1
506D27.2Very low26.2Very low153 Ų153133.7 Ų133.782%0.81877%0.774SS**PPolyproline II helixtrans-86.9165.8-160.9-179.233.1000115.2
507G25.2Very low26.1Very low75 Ų75133.3 Ų133.377%0.77377%0.767SS**  trans135.896.7160.100000115.3
508G24.9Very low26.2Very low55 Ų55130 Ų13057%0.56776%0.762SS**  cis165.3168.9-8.900000113.2
509V26.8Very low26.3Very low137 Ų137127.9 Ų127.983%0.8376%0.757SS**  trans58119.4145.8-173.60000117.2
510C23.9Very low26.4Very low90 Ų90127.6 Ų127.661%0.60876%0.761SS**  -170.9139.954-144.50000113.3
511R26.9Very low26.5Very low214 Ų214126.6 Ų126.681%0.80875%0.754SS**  trans59.2142.7142.6-74.2179.1174.9160.6-1.7119.8
512N26.5Very low26.6Very low127 Ų127131.9 Ų131.968%0.67976%0.763SS**  cis-169.8146.40.3-124.96.2000111.1
513T28.1Very low26.6Very low129 Ų129127.4 Ų127.479%0.79176%0.759SS**  trans51.1146.6149.918.90000120.8
514A27Very low26.8Very low74 Ų74129.6 Ų129.661%0.61276%0.762SS**  cis-163.6154.31.200000110.7
515V29Very low27.3Very low121 Ų121127.1 Ų127.173%0.73376%0.756SS**  56.1136.9128.51760000118.7
516Q25.7Very low27.3Very low149 Ų149128.1 Ų128.170%0.69676%0.756SS**  cis-149.5141.519.3-141.113119.700107.7
517E25.1Very low27.2Very low162 Ų162125.1 Ų125.176%0.75775%0.753SS**  44.314295-64.1171.4152.600115.5
518S28.5Very low27.2Very low96 Ų96126.6 Ų126.667%0.67175%0.751SS**  cis-170.1147.93.643.80000113.1
519D25.9Very low27.3Very low154 Ų154129 Ų12982%0.82476%0.759SS**  trans59.3140135.6-70.7-29.6000126.5
520A27.9Very low27.2Very low93 Ų93131.3 Ų131.377%0.76976%0.761SS**  trans71.6147.4135.600000120.5
521S27.8Very low27.9Very low100 Ų100132 Ų13270%0.69976%0.764SS**  cis-173.6147.7-14.3520000111.1
522Q27.4Very low27.8Very low203 Ų203130 Ų13095%0.94977%0.768SS**  trans56.8147.1155.5-64.5-166.510.100121.4
523G25.6Very low27.8Very low81 Ų81127.1 Ų127.184%0.83577%0.769SS**  trans141.286.8156.200000117.4
524K28.7Very low27.9Very low205 Ų205127.7 Ų127.789%0.89177%0.772SS**  trans-92.9155.9149.4-108178.7-179.3176.60107.1
525P36.8Very low28.1Very low110 Ų110129.6 Ų129.671%0.71478%0.781SS**  -155.5169.25740.5-18.6000120.2
526L27.7Very low28.2Very low162 Ų162127.2 Ų127.285%0.84878%0.781SS**  trans54.8137.8146-92.584.5000125.3
527A25.9Very low29Very low91 Ų91126 Ų12675%0.75279%0.786SS**  trans67.7150.814500000119.5
528S25.6Very low29.2Very low105 Ų105125.7 Ų125.773%0.73479%0.789SS**  cis-167.8175.5-17.151.40000110.2
529S27.4Very low29.6Very low105 Ų105129.2 Ų129.273%0.73480%0.799SS**  trans64.8107.8160.649.90000121.9
530Q24.6Very low30.1Very low187 Ų187130.6 Ų130.687%0.87480%0.8SS**  19.4162.5121.9-71.9-177-20.600121.9
531P38Very low30.5Very low104 Ų104134 Ų13468%0.67580%0.8SS**  cis-142.9-168.7-36.342-23.8000114.1
532L25.6Very low30.8Very low171 Ų171137.4 Ų137.490%0.89581%0.809SS**  trans68.9122.9167.3-9090.7000120.6
533G25.7Very low31.1Very low68 Ų68136 Ų13670%0.70180%0.803SS**  125.795.5116.200000121.7
534V29.2Very low31.6Very low140 Ų140140.4 Ų140.485%0.84880%0.802SS**  trans85.1137.3139.3-1720000121.1
535S31.3Very low31.9Very low114 Ų114139.6 Ų139.680%0.79780%0.801SS**  trans74.2119.2162.249.70000120.9
536G32.9Very low31.7Very low72 Ų72142.1 Ų142.174%0.74281%0.808SS**  trans-91.5-146.9159.400000111.6
537P41.5Very low32Very low124 Ų124143.4 Ų143.481%0.80581%0.806SS**  cis-123.1164.514.540.9-27.9000115
538L29.8Very low32.2Very low154 Ų154145.2 Ų145.281%0.80681%0.808SS**  trans-148.967.1165.1-113.3166.2000109.3
539I37.4Very low32.4Very low171 Ų171146.5 Ų146.588%0.87781%0.812SS**  trans-134.473.9169-55.1179.1000106.4
540E35.6Very low32.4Very low182 Ų182147.8 Ų147.885%0.8582%0.815SS**SBendtrans-150.79.4175-143.7166.6-159.200112.8
541E36.7Very low32.4Very low164 Ų164148.3 Ų148.377%0.76682%0.818SS**SBendtrans-119.89.7-174.7-151.3173.6-17500113.7
542L34.2Very low32Very low172 Ų172149.6 Ų149.690%0.90182%0.823SS**SBendtrans-123.97.7176.4-73.2176.2000114.4
543E32.8Very low32.1Very low173 Ų173146.8 Ų146.881%0.80882%0.818SS**SBendtrans-101-7.1175.6-145177.6172.900113.3
544E36.4Very low32.4Very low174 Ų174151.9 Ų151.981%0.81382%0.823SS**THydrogen-bonded Turntrans-94.6-5.2-173-127.2-179.4-173.100115.4
545Q34.5Very low32.8Very low188 Ų188150.7 Ų150.788%0.87982%0.819SS**THydrogen-bonded Turntrans-96.65.1178.7-65.5-163.75.200115.2
546L32.8Very low32.7Very low164 Ų164154.8 Ų154.886%0.85982%0.822SS**SBendtrans-11316.7-179.9-92.3163.2000114.8
547K34.5Very low32.5Very low188 Ų188154.8 Ų154.882%0.81782%0.823SS**  trans-126.258.8176-81.8-179.8179.1160.60114
548T30.2Very low31.8Very low129 Ų129155.2 Ų155.279%0.79182%0.823SS**  trans-144.6141.9157.8-28.80000111.6
549T29.8Very low31.8Very low133 Ų133154.1 Ų154.182%0.81682%0.823SS**  trans86.264.7173.7-34.30000117.4
550V26.5Very low31.5Very low131 Ų131150 Ų15079%0.79481%0.814SS**  trans-133.3119139.8179.50000108.3V552V550-V552 HydrophobicContact CG1-CG2 4.18Å
551Q25.7Very low31.1Very low199 Ų199147.9 Ų147.993%0.9381%0.814SS**  trans-121.8119.2161.5-76.8-170.21.500108
552V29.4Very low30.9Very low130 Ų130146.7 Ų146.779%0.78881%0.812SS**  trans-129.6130167.9176.80000107.4V550V550-V552 HydrophobicContact CG1-CG2 4.18Å
553S28.4Very low30.7Very low112 Ų112147.2 Ų147.278%0.78381%0.81SS**  trans-83.7133.6-179.950.30000112
554E31.3Very low30.6Very low175 Ų175143.8 Ų143.882%0.81881%0.805SS**  trans-64.3171.3170.3-57-173.114500113
555P37.5Very low30.1Very low116 Ų116143.6 Ų143.675%0.75381%0.809SS**  -141.4138.1100.236.2-23.2000116.9
556K29.2Very low29.9Very low199 Ų199142.1 Ų142.187%0.86580%0.804SS**  trans48.1116.5140.7-68.6-179.7174.9176.40119.9
557G27.7Very low29.7Very low73 Ų73141.8 Ų141.875%0.75380%0.798SS**  trans-100.4-175.5162.700000114.9
558T28.3Very low29.5Very low132 Ų132138.5 Ų138.581%0.8179%0.786SS**  trans-152121.5165.520.40000110.7
559T29.8Very low29.5Very low132 Ų132141 Ų14181%0.8178%0.781SS**  trans22.9143135.252.30000120.8
560A29.9Very low29.6Very low84 Ų84141.7 Ų141.769%0.69478%0.78SS**  cis-177.9-174.5-0.500000111.3
561V28.4Very low29.8Very low138 Ų138138.4 Ų138.484%0.83677%0.772SS**  trans105.5121.7151.4-172.40000117.4
562N30.8Very low30.2Very low138 Ų138140.8 Ų140.874%0.73877%0.773SS**  trans-74.7160.4172.9-59.7-36.9000112.1
563H30.1Very low30.6Very low184 Ų184143 Ų14385%0.85278%0.775SS**  -176.5137.9108-100.5-71.9000112.9
564S30.8Very low31.1Very low100 Ų100143.5 Ų143.570%0.69977%0.773SS**  trans-86.8145.5167.452.90000111.7
565N27.3Very low32.3Very low170 Ų170140 Ų14091%0.90977%0.765SS**  trans-161.5160.5143.1-115.3-7.1000114.2
566M28.9Very low32.4Very low158 Ų158141.7 Ų141.778%0.77877%0.768SS**  trans-97.2175.4-173.1-62.5-177.562.300114.6
567Q29.5Very low33Very low156 Ų156143.7 Ų143.773%0.72979%0.788SS**  trans68.4157.8158.9-71.4174.5-80.500115.8
568E30.2Very low33.2Very low120 Ų120147.3 Ų147.356%0.56179%0.79SS**  cis-162.9168.2-23.3-114.4179.5-65.900105.2
569R30.6Very low33.5Very low181 Ų181148.1 Ų148.168%0.68379%0.789SS**  cis-159.4-179.110.3-152-178.7-110.5168.98.4110.2
570D31.5Very low33.7Very low148 Ų148148.9 Ų148.979%0.79179%0.788SS**  trans69.1144.2154.2-59.6-31.8000117.5
571G31.2Very low33.9Very low62 Ų62152.8 Ų152.864%0.63979%0.794SS**  cis149.4154.7-200000111.4
572R34.3Very low34.3Very low248 Ų248153.7 Ų153.794%0.93679%0.791SS**  trans82.9124.4-177.2-62.1-176.8178.7-157.7-2.4114.5
573Q36.3Very low34.5Very low178 Ų178154.7 Ų154.783%0.83279%0.794SS**  cis54.9119.522.6-75.7-167.6-20.300113.7
574T39.3Very low34.8Very low122 Ų122152.6 Ų152.675%0.74879%0.79SS**  cis-165.6-15221.327.50000107.3
575P56.9Low35.1Very low101 Ų101156.7 Ų156.766%0.65680%0.797SS**  -124.3-175.6-77.340.3-24.9000113.5
576N38.8Very low35.8Very low151 Ų151155.6 Ų155.681%0.80779%0.788SS**  trans35.8120.2152.6-6111.9000120.9
577D42.1Very low36.4Very low242 Ų242155.4 Ų155.4100%1.29479%0.789SS**  -138.50103.3-98.8-28000108.7

Retrieved 577 of 577 residues in 103 ms (Link to these results)

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