A0A3Q0KDT0_SCHMA Loading...

Nucleic-acid-binding protein from transposon X-element

AlphaFold DB , UniProt , Accession A0A3Q0KDT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 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
1M50.5Low54.9Low65 Ų6566.7 Ų66.732%0.3234%0.335SS..  0-51.90-103.5-164.5-90.200111.5A3 C4 C5 T58 V61 K62 M194 Y210M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.18Å; M1-C4 PolarHBondContact O-N 2.99Å; M1-C4 VanDerWaalsContact O-N 3.15Å; M1-C5 PolarHBondContact O-N 3.02Å; M1-C5 VanDerWaalsContact O-N 3.14Å; M1-C5 PolarHBondContact O-SG 2.9Å; M1-C5 VanDerWaalsContact O-SG 3.39Å; M1-T58 HydrophobicContact SD-CG2 4.02Å; M1-V61 HydrophobicContact CE-CB 3.83Å; M1-V61 HydrophobicContact CE-CG1 3.6Å; M1-V61 HydrophobicContact SD-CB 4.38Å; M1-K62 HydrophobicContact CE-CB 3.94Å; M1-M194 HydrophobicContact CG-CE 3.5Å; M1-M194 HydrophobicContact CG-SD 3.69Å; M1-M194 HydrophobicContact SD-CE 3.5Å; M1-M194 WeakPolarHBondContact SD-CE 3.37Å; M1-M194 HydrophobicContact SD-SD 4.38Å; M1-Y210 PolarHBondContact N-OH 3.39Å
2Q53.1Low54.9Low141 Ų14173.2 Ų73.266%0.65937%0.372SS*.Hα-helixtrans-54.8-43.2176-77.9173.1-35.400113.4C4 C5 L6Q2-C4 VanDerWaalsContact C-N 3.33Å; Q2-C4 PolarHBondContact O-N 3.09Å; Q2-C5 WeakPolarHBondContact O-CB 3.14Å; Q2-C5 PolarHBondContact O-N 2.77Å; Q2-L6 WeakPolarHBondContact O-CG 3.47Å; Q2-L6 PolarHBondContact O-N 2.8Å
3A51.1Low55.1Low20 Ų2070.8 Ų70.817%0.16537%0.365CS..Hα-helixtrans-59-40177.100000113.7M1 L6 T7 V209 Y210M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.18Å; A3-L6 PolarHBondContact O-N 3.36Å; A3-T7 WeakPolarHBondContact O-CG2 3.11Å; A3-T7 PolarHBondContact O-N 2.98Å; A3-T7 PolarHBondContact O-OG1 3.36Å; A3-T7 VanDerWaalsContact O-OG1 3.05Å; A3-V209 HydrophobicContact CB-CG1 4.31Å; A3-Y210 HydrophobicContact CB-CE2 4.19Å
4C52.7Low55.8Low8 Ų869.9 Ų69.95%0.05436%0.364CS..Hα-helixtrans-66.7-42.9176.3-167.60000111.3M1 Q2 T7 L8M1-C4 PolarHBondContact O-N 2.99Å; M1-C4 VanDerWaalsContact O-N 3.15Å; Q2-C4 VanDerWaalsContact C-N 3.33Å; Q2-C4 PolarHBondContact O-N 3.09Å; C4-T7 WeakPolarHBondContact CA-OG1 3.48Å; C4-T7 PolarHBondContact O-N 3.37Å; C4-T7 PolarHBondContact O-OG1 3.24Å; C4-L8 WeakPolarHBondContact O-CB 3.38Å; C4-L8 WeakPolarHBondContact O-CD1 3.45Å; C4-L8 VanDerWaalsContact O-CG 3.27Å; C4-L8 WeakPolarHBondContact O-CG 3.2Å; C4-L8 PolarHBondContact O-N 3.42Å; C4-L8 VanDerWaalsContact SG-CD1 3.53Å
5C54.6Low56.7Low21 Ų2171.8 Ų71.814%0.14239%0.386CS..Hα-helixtrans-59.4-48.1174.9-590000111.4M1 Q2 T7 L8 E9M1-C5 PolarHBondContact O-N 3.02Å; M1-C5 VanDerWaalsContact O-N 3.14Å; M1-C5 PolarHBondContact O-SG 2.9Å; M1-C5 VanDerWaalsContact O-SG 3.39Å; Q2-C5 WeakPolarHBondContact O-CB 3.14Å; Q2-C5 PolarHBondContact O-N 2.77Å; C5-T7 PolarHBondContact O-N 3.32Å; C5-L8 PolarHBondContact O-N 3.48Å; C5-E9 WeakPolarHBondContact O-CB 3.43Å; C5-E9 VanDerWaalsContact O-CG 3.24Å; C5-E9 WeakPolarHBondContact O-CG 3.22Å; C5-E9 PolarHBondContact O-N 3.02Å
6L60.7Low57.3Low98 Ų9874 Ų7451%0.51340%0.397SS..Hα-helixtrans-61.5-43.3179.9-68.2171.5000112.2Q2 A3 L8 Q10Q2-L6 WeakPolarHBondContact O-CG 3.47Å; Q2-L6 PolarHBondContact O-N 2.8Å; A3-L6 PolarHBondContact O-N 3.36Å; L6-L8 PolarHBondContact O-N 3.39Å; L6-Q10 WeakPolarHBondContact O-CB 3.26Å; L6-Q10 VanDerWaalsContact O-CG 3.23Å; L6-Q10 WeakPolarHBondContact O-CG 3.36Å; L6-Q10 PolarHBondContact O-N 2.77Å
7T56.2Low58Low21 Ų2171 Ų7113%0.12938%0.381CS..Hα-helixtrans-65.8-36.9177.548.20000112.8A3 C4 C5 Q10 M11 V209A3-T7 WeakPolarHBondContact O-CG2 3.11Å; A3-T7 PolarHBondContact O-N 2.98Å; A3-T7 PolarHBondContact O-OG1 3.36Å; A3-T7 VanDerWaalsContact O-OG1 3.05Å; C4-T7 WeakPolarHBondContact CA-OG1 3.48Å; C4-T7 PolarHBondContact O-N 3.37Å; C4-T7 PolarHBondContact O-OG1 3.24Å; C5-T7 PolarHBondContact O-N 3.32Å; T7-Q10 PolarHBondContact O-N 3.15Å; T7-M11 WeakPolarHBondContact O-CG 2.94Å; T7-M11 PolarHBondContact O-N 2.83Å; T7-V209 HydrophobicContact CG2-CG2 4.05Å
8L55.5Low59.3Low12 Ų1269.6 Ų69.66%0.06337%0.373CS..Hα-helixtrans-79.3-32.1-178.5-68.2160.2000112.2C4 C5 L6 Q10 M11 L17 F54C4-L8 WeakPolarHBondContact O-CB 3.38Å; C4-L8 WeakPolarHBondContact O-CD1 3.45Å; C4-L8 VanDerWaalsContact O-CG 3.27Å; C4-L8 WeakPolarHBondContact O-CG 3.2Å; C4-L8 PolarHBondContact O-N 3.42Å; C4-L8 VanDerWaalsContact SG-CD1 3.53Å; C5-L8 PolarHBondContact O-N 3.48Å; L6-L8 PolarHBondContact O-N 3.39Å; L8-Q10 VanDerWaalsContact C-N 3.33Å; L8-M11 HydrophobicContact CD2-CE 3.65Å; L8-M11 HydrophobicContact CG-CE 4.34Å; L8-M11 PolarHBondContact O-N 3.37Å; L8-L17 HydrophobicContact CB-CD1 3.42Å; L8-L17 VanDerWaalsContact CB-CD1 3.42Å; L8-L17 HydrophobicContact CB-CG 4.39Å; L8-L17 HydrophobicContact CD1-CD1 4.01Å; L8-L17 HydrophobicContact CD1-CD2 3.81Å; L8-L17 HydrophobicContact CD2-CD2 4.28Å; L8-L17 HydrophobicContact CG-CD1 4.2Å; L8-L17 HydrophobicContact CG-CD2 4.43Å; L8-F54 HydrophobicContact CD1-CZ 4.38Å
9E60.9Low60.4Low118 Ų11868.1 Ų68.155%0.55137%0.369SS*.Hα-helixtrans-61.6-41.8168.2-75.6167.8-170.500110.9C5 M11 N12C5-E9 WeakPolarHBondContact O-CB 3.43Å; C5-E9 VanDerWaalsContact O-CG 3.24Å; C5-E9 WeakPolarHBondContact O-CG 3.22Å; C5-E9 PolarHBondContact O-N 3.02Å; E9-M11 VanDerWaalsContact C-N 3.26Å; E9-M11 PolarHBondContact O-N 3.46Å; E9-N12 PolarHBondContact O-N 3.17Å
10Q53.1Low61.5Low162 Ų16269.2 Ų69.276%0.75738%0.378SS*.Hα-helixtrans-66.6-21.3177.4-76.5172.2-14.600114.3L6 T7 L8L6-Q10 WeakPolarHBondContact O-CB 3.26Å; L6-Q10 VanDerWaalsContact O-CG 3.23Å; L6-Q10 WeakPolarHBondContact O-CG 3.36Å; L6-Q10 PolarHBondContact O-N 2.77Å; T7-Q10 PolarHBondContact O-N 3.15Å; L8-Q10 VanDerWaalsContact C-N 3.33Å
11M55.2Low62.4Low68 Ų6875.3 Ų75.334%0.33540%0.396SS..THydrogen-bonded Turntrans-946.6-179.5-69.1-174.1-58.900114.1T7 L8 E9 C13 L202T7-M11 WeakPolarHBondContact O-CG 2.94Å; T7-M11 PolarHBondContact O-N 2.83Å; L8-M11 HydrophobicContact CD2-CE 3.65Å; L8-M11 HydrophobicContact CG-CE 4.34Å; L8-M11 PolarHBondContact O-N 3.37Å; E9-M11 VanDerWaalsContact C-N 3.26Å; E9-M11 PolarHBondContact O-N 3.46Å; M11-C13 PolarHBondContact O-N 3.07Å; M11-C13 VanDerWaalsContact O-N 3.07Å; M11-L202 HydrophobicContact CE-CD1 3.55Å; M11-L202 HydrophobicContact CE-CD2 4.08Å; M11-L202 HydrophobicContact CE-CG 4.31Å; M11-L202 HydrophobicContact SD-CD1 3.8Å; M11-L202 HydrophobicContact SD-CD2 3.36Å; M11-L202 WeakPolarHBondContact SD-CD2 2.98Å; M11-L202 HydrophobicContact SD-CG 4.17Å
12N55.2Low63.5Low144 Ų14473.9 Ų73.977%0.7739%0.39SS*.THydrogen-bonded Turntrans57.419-178.8-158.134.7000114.7E9 V14E9-N12 PolarHBondContact O-N 3.17Å; N12-V14 PolarHBondContact O-N 3.1Å
13C57.4Low65Low42 Ų4267.9 Ų67.928%0.28436%0.363SS..  trans-88.125176.1-68.40000112.6M11 S15 D16 L17M11-C13 PolarHBondContact O-N 3.07Å; M11-C13 VanDerWaalsContact O-N 3.07Å; C13-S15 PolarHBondContact O-N 3.41Å; C13-D16 PolarHBondContact O-N 2.93Å; C13-D16 VanDerWaalsContact O-N 3.15Å; C13-L17 WeakPolarHBondContact O-CG 3.46Å; C13-L17 PolarHBondContact O-N 3Å
14V65.4Low66.6Low59 Ų5972.3 Ų72.336%0.35838%0.38SS..Hα-helixtrans-59.8-36.9-174.3179.50000111.4N12 L17 N18N12-V14 PolarHBondContact O-N 3.1Å; V14-L17 PolarHBondContact O-N 3.19Å; V14-N18 WeakPolarHBondContact CG1-ND2 3.41Å; V14-N18 WeakPolarHBondContact O-CB 3.44Å; V14-N18 PolarHBondContact O-N 3.11Å; V14-N18 PolarHBondContact O-ND2 3.4Å; V14-N18 VanDerWaalsContact O-ND2 3.17Å
15S69.2Low67.9Low98 Ų9874.2 Ų74.269%0.68539%0.391SS*.Hα-helixtrans-65-42.2177.3-55.30000112.6C13 L17 N18 S19C13-S15 PolarHBondContact O-N 3.41Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 2.91Å; S15-N18 CarbonylContact O-C 3.45Å; S15-N18 PolarHBondContact O-N 3.46Å; S15-S19 PolarHBondContact O-N 3.46Å
16D66.2Low69.2Low107 Ų10773.6 Ų73.657%0.57239%0.387SS*.Hα-helixtrans-67.1-35.7180-68.3-25.5000111.6C13 S19 T22C13-D16 PolarHBondContact O-N 2.93Å; C13-D16 VanDerWaalsContact O-N 3.15Å; D16-S19 WeakPolarHBondContact O-CB 3.32Å; D16-S19 PolarHBondContact O-N 2.96Å; D16-S19 PolarHBondContact O-OG 3.27Å; D16-T22 WeakPolarHBondContact O-CB 3.3Å; D16-T22 PolarHBondContact O-OG1 2.95Å
17L69.5Low70.3Confident23 Ų2370.3 Ų70.312%0.1237%0.37CS..Hα-helixtrans-67.1-42.6174.8-65.7179.7000112.4L8 C13 V14 S15 S19 F54L8-L17 HydrophobicContact CB-CD1 3.42Å; L8-L17 VanDerWaalsContact CB-CD1 3.42Å; L8-L17 HydrophobicContact CB-CG 4.39Å; L8-L17 HydrophobicContact CD1-CD1 4.01Å; L8-L17 HydrophobicContact CD1-CD2 3.81Å; L8-L17 HydrophobicContact CD2-CD2 4.28Å; L8-L17 HydrophobicContact CG-CD1 4.2Å; L8-L17 HydrophobicContact CG-CD2 4.43Å; C13-L17 WeakPolarHBondContact O-CG 3.46Å; C13-L17 PolarHBondContact O-N 3Å; V14-L17 PolarHBondContact O-N 3.19Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 2.91Å; L17-S19 PolarHBondContact O-N 3Å; L17-F54 HydrophobicContact CB-CB 3.98Å; L17-F54 HydrophobicContact CB-CD1 4.48Å; L17-F54 HydrophobicContact CB-CD2 4.15Å; L17-F54 HydrophobicContact CB-CG 3.97Å; L17-F54 HydrophobicContact CD1-CD1 4.25Å; L17-F54 HydrophobicContact CD1-CE1 4.38Å; L17-F54 HydrophobicContact CD2-CD2 4.22Å; L17-F54 HydrophobicContact CD2-CE2 4.08Å; L17-F54 HydrophobicContact CD2-CZ 4.36Å
18N80.7Confident71.7Confident45 Ų4575.1 Ų75.124%0.24140%0.395CS..Hα-helixtrans-81.1-1.1178.5-68.6-36.9000113V14 S15 T20 L53 F54V14-N18 WeakPolarHBondContact CG1-ND2 3.41Å; V14-N18 WeakPolarHBondContact O-CB 3.44Å; V14-N18 PolarHBondContact O-N 3.11Å; V14-N18 PolarHBondContact O-ND2 3.4Å; V14-N18 VanDerWaalsContact O-ND2 3.17Å; S15-N18 CarbonylContact O-C 3.45Å; S15-N18 PolarHBondContact O-N 3.46Å; N18-T20 PolarHBondContact O-N 3.28Å; N18-L53 HydrophobicContact CB-CD2 4.18Å; N18-L53 WeakPolarHBondContact OD1-CB 3.44Å; N18-F54 WeakPolarHBondContact OD1-CB 3.44Å; N18-F54 PolarHBondContact OD1-N 2.85Å
19S79.8Confident72.9Confident42 Ų4279.9 Ų79.929%0.29442%0.415SS..SBendtrans-61.6138.3174.974.30000110.8S15 D16 L17 R21 T22 I23S15-S19 PolarHBondContact O-N 3.46Å; D16-S19 WeakPolarHBondContact O-CB 3.32Å; D16-S19 PolarHBondContact O-N 2.96Å; D16-S19 PolarHBondContact O-OG 3.27Å; L17-S19 PolarHBondContact O-N 3Å; S19-R21 PolarHBondContact O-N 3.36Å; S19-R21 VanDerWaalsContact O-N 3.16Å; S19-T22 PolarHBondContact O-N 3.44Å; S19-T22 WeakPolarHBondContact OG-CB 3.01Å; S19-T22 PolarHBondContact OG-N 3.11Å; S19-T22 PolarHBondContact OG-OG1 3.22Å; S19-I23 PolarHBondContact O-N 2.7Å; S19-I23 VanDerWaalsContact O-N 3.1Å
20T83.8Confident73.8Confident89 Ų8974.8 Ų74.855%0.54639%0.391SS..Hα-helixtrans-51.6-41.9178.9-450000111.3N18 T22 I23 E24N18-T20 PolarHBondContact O-N 3.28Å; T20-T22 PolarHBondContact O-N 3.39Å; T20-I23 PolarHBondContact O-N 3.09Å; T20-E24 HydrophobicContact CG2-CG 4.25Å; T20-E24 WeakPolarHBondContact O-CB 3.46Å; T20-E24 VanDerWaalsContact O-CG 3.28Å; T20-E24 WeakPolarHBondContact O-CG 3.31Å; T20-E24 PolarHBondContact O-N 3.01Å
21R79Confident75.2Confident199 Ų19968.9 Ų68.975%0.75137%0.367SS*.Hα-helixtrans-60.7-44.4178.6-174.2179.9179.9-175.11.2112.8S19 T25S19-R21 PolarHBondContact O-N 3.36Å; S19-R21 VanDerWaalsContact O-N 3.16Å; R21-T25 VanDerWaalsContact O-CB 3.3Å; R21-T25 WeakPolarHBondContact O-CB 3.32Å; R21-T25 PolarHBondContact O-N 3.47Å; R21-T25 PolarHBondContact O-OG1 2.9Å
22T75Confident76.5Confident34 Ų3470.2 Ų70.221%0.20938%0.379CS..Hα-helixtrans-63.6-46.1177.5-650000110.3D16 S19 T20 T25 M26D16-T22 WeakPolarHBondContact O-CB 3.3Å; D16-T22 PolarHBondContact O-OG1 2.95Å; S19-T22 PolarHBondContact O-N 3.44Å; S19-T22 WeakPolarHBondContact OG-CB 3.01Å; S19-T22 PolarHBondContact OG-N 3.11Å; S19-T22 PolarHBondContact OG-OG1 3.22Å; T20-T22 PolarHBondContact O-N 3.39Å; T22-T25 PolarHBondContact O-N 2.79Å; T22-M26 HydrophobicContact CG2-SD 4.35Å; T22-M26 VanDerWaalsContact O-CG 3.31Å; T22-M26 WeakPolarHBondContact O-CG 3.38Å; T22-M26 PolarHBondContact O-N 3.24Å
23I83.3Confident77.7Confident16 Ų1667.4 Ų67.48%0.08236%0.361CS..Hα-helixtrans-62.2-48.9179.6-66.5-179.3000111.4S19 T20 T25 M26 V27 S52 V57S19-I23 PolarHBondContact O-N 2.7Å; S19-I23 VanDerWaalsContact O-N 3.1Å; T20-I23 PolarHBondContact O-N 3.09Å; I23-T25 VanDerWaalsContact C-N 3.33Å; I23-T25 PolarHBondContact O-N 2.84Å; I23-M26 WeakPolarHBondContact O-CB 3.37Å; I23-M26 PolarHBondContact O-N 3.45Å; I23-V27 WeakPolarHBondContact O-CG2 3.38Å; I23-V27 PolarHBondContact O-N 3.16Å; I23-S52 WeakPolarHBondContact CD1-O 3.23Å; I23-V57 HydrophobicContact CG2-CG2 3.85Å
24E85Confident79Confident112 Ų11265.8 Ų65.852%0.52335%0.35SS..Hα-helixtrans-58.6-45.5175.8-75.8176.9172.300111.5T20 M26 V27 L28T20-E24 HydrophobicContact CG2-CG 4.25Å; T20-E24 WeakPolarHBondContact O-CB 3.46Å; T20-E24 VanDerWaalsContact O-CG 3.28Å; T20-E24 WeakPolarHBondContact O-CG 3.31Å; T20-E24 PolarHBondContact O-N 3.01Å; E24-M26 VanDerWaalsContact C-N 3.31Å; E24-M26 PolarHBondContact O-N 3.01Å; E24-V27 PolarHBondContact O-N 2.81Å; E24-V27 VanDerWaalsContact O-N 3.16Å; E24-L28 WeakPolarHBondContact O-CB 3.27Å; E24-L28 VanDerWaalsContact O-CG 3.31Å; E24-L28 WeakPolarHBondContact O-CG 3.49Å; E24-L28 PolarHBondContact O-N 3.17Å
25T80.8Confident80.1Confident48 Ų4865.1 Ų65.129%0.29434%0.343SS..Hα-helixtrans-59.6-44.1177.5-57.50000110.7R21 T22 I23 V27 K29 L197R21-T25 VanDerWaalsContact O-CB 3.3Å; R21-T25 WeakPolarHBondContact O-CB 3.32Å; R21-T25 PolarHBondContact O-N 3.47Å; R21-T25 PolarHBondContact O-OG1 2.9Å; T22-T25 PolarHBondContact O-N 2.79Å; I23-T25 VanDerWaalsContact C-N 3.33Å; I23-T25 PolarHBondContact O-N 2.84Å; T25-V27 PolarHBondContact O-N 2.78Å; T25-K29 WeakPolarHBondContact O-CG 3.44Å; T25-K29 PolarHBondContact O-N 2.6Å; T25-L197 HydrophobicContact CG2-CD2 3.83Å
26M80.9Confident81.1Confident8 Ų866.3 Ų66.34%0.03934%0.338CS..Hα-helixtrans-60.8-44.2175.9-71.7178.493.700112.2T22 I23 E24 K29 L30 F54 V57 T58 M194 L197T22-M26 HydrophobicContact CG2-SD 4.35Å; T22-M26 VanDerWaalsContact O-CG 3.31Å; T22-M26 WeakPolarHBondContact O-CG 3.38Å; T22-M26 PolarHBondContact O-N 3.24Å; I23-M26 WeakPolarHBondContact O-CB 3.37Å; I23-M26 PolarHBondContact O-N 3.45Å; E24-M26 VanDerWaalsContact C-N 3.31Å; E24-M26 PolarHBondContact O-N 3.01Å; M26-K29 PolarHBondContact O-N 3.29Å; M26-L30 WeakPolarHBondContact O-CG 3.34Å; M26-F54 HydrophobicContact CE-CD2 3.89Å; M26-F54 HydrophobicContact CE-CE2 3.3Å; M26-F54 HydrophobicContact CE-CZ 4Å; M26-F54 HydrophobicContact SD-CD2 3.42Å; M26-F54 WeakPolarHBondContact SD-CD2 3.38Å; M26-F54 HydrophobicContact SD-CE2 3.35Å; M26-F54 WeakPolarHBondContact SD-CE2 3.44Å; M26-V57 HydrophobicContact CB-CG1 3.99Å; M26-V57 HydrophobicContact CE-CG1 4.23Å; M26-V57 HydrophobicContact SD-CG1 4.22Å; M26-T58 HydrophobicContact CE-CG2 4.17Å; M26-M194 HydrophobicContact CE-CE 3.88Å; M26-L197 HydrophobicContact CE-CD1 4.33Å; M26-L197 HydrophobicContact CG-CD1 3.45Å; M26-L197 VanDerWaalsContact CG-CD1 3.45Å; M26-L197 HydrophobicContact SD-CD1 4.45Å
27V85.3Confident82.2Confident29 Ų2965.6 Ų65.618%0.17633%0.33CS..Hα-helixtrans-66.9-45.6-179.4176.10000111.2I23 E24 T25 K29 L30 Q35 R38I23-V27 WeakPolarHBondContact O-CG2 3.38Å; I23-V27 PolarHBondContact O-N 3.16Å; E24-V27 PolarHBondContact O-N 2.81Å; E24-V27 VanDerWaalsContact O-N 3.16Å; T25-V27 PolarHBondContact O-N 2.78Å; V27-K29 PolarHBondContact O-N 3.05Å; V27-K29 VanDerWaalsContact O-N 3.12Å; V27-L30 WeakPolarHBondContact O-CB 3.27Å; V27-L30 VanDerWaalsContact O-CG 3.32Å; V27-L30 WeakPolarHBondContact O-CG 3.43Å; V27-L30 PolarHBondContact O-N 3.17Å; V27-Q35 HydrophobicContact CG1-CG 4.47Å; V27-Q35 WeakPolarHBondContact O-CG 3.32Å; V27-R38 HydrophobicContact CG1-CB 4.45Å; V27-R38 HydrophobicContact CG1-CG 4.09Å; V27-R38 HydrophobicContact CG2-CG 3.86Å
28L85.4Confident83.1Confident122 Ų12264.6 Ų64.664%0.63932%0.324SS*.Hα-helixtrans-61.7-21.9179.5-73.3174.1000113.4E24 Q35E24-L28 WeakPolarHBondContact O-CB 3.27Å; E24-L28 VanDerWaalsContact O-CG 3.31Å; E24-L28 WeakPolarHBondContact O-CG 3.49Å; E24-L28 PolarHBondContact O-N 3.17Å; L28-Q35 PolarHBondContact O-NE2 3.18Å
29K80Confident83.5Confident113 Ų11368.3 Ų68.349%0.49134%0.343SS..THydrogen-bonded Turntrans-84.4-10.9176.7-68.9-67.7-173.6-173.40113.9T25 M26 V27 V193T25-K29 WeakPolarHBondContact O-CG 3.44Å; T25-K29 PolarHBondContact O-N 2.6Å; M26-K29 PolarHBondContact O-N 3.29Å; V27-K29 PolarHBondContact O-N 3.05Å; V27-K29 VanDerWaalsContact O-N 3.12Å; K29-V193 HydrophobicContact CB-CB 4.11Å; K29-V193 HydrophobicContact CB-CG1 3.4Å; K29-V193 HydrophobicContact CB-CG2 3.55Å; K29-V193 HydrophobicContact CD-CG2 4.02Å; K29-V193 HydrophobicContact CG-CG1 3.79Å; K29-V193 HydrophobicContact CG-CG2 3.96Å
30L80.8Confident84.1Confident10 Ų1073.5 Ų73.55%0.05236%0.361CS..SBendtrans-74.7154.5174.2-47.5178.3000110.2M26 V27 V34 Q35 F60 V61 M190M26-L30 WeakPolarHBondContact O-CG 3.34Å; V27-L30 WeakPolarHBondContact O-CB 3.27Å; V27-L30 VanDerWaalsContact O-CG 3.32Å; V27-L30 WeakPolarHBondContact O-CG 3.43Å; V27-L30 PolarHBondContact O-N 3.17Å; L30-V34 HydrophobicContact CB-CB 4.15Å; L30-V34 HydrophobicContact CB-CG1 4.04Å; L30-V34 HydrophobicContact CD1-CG1 3.9Å; L30-V34 HydrophobicContact CG-CG1 4.47Å; L30-Q35 HydrophobicContact CB-CG 4Å; L30-Q35 WeakPolarHBondContact O-CG 3.37Å; L30-Q35 PolarHBondContact O-NE2 3.12Å; L30-F60 HydrophobicContact CD1-CD1 4.5Å; L30-F60 HydrophobicContact CD1-CE1 4.14Å; L30-V61 HydrophobicContact CD1-CG2 4.37Å; L30-V61 HydrophobicContact CD2-CG2 3.78Å; L30-M190 HydrophobicContact CB-CE 3.98Å; L30-M190 HydrophobicContact CD2-CE 3.36Å; L30-M190 HydrophobicContact CD2-SD 3.25Å; L30-M190 WeakPolarHBondContact CD2-SD 3.32Å; L30-M190 HydrophobicContact CG-CE 4.23Å
31P81.2Confident84.4Confident38 Ų3871.5 Ų71.525%0.24735%0.348CS..  trans-58.2146.7169.5-2534.4000112.3H33 V34 Q35 M190P31-H33 VanDerWaalsContact C-N 3.3Å; P31-H33 PolarHBondContact O-N 3.31Å; P31-H33 VanDerWaalsContact O-N 3.12Å; P31-V34 HydrophobicContact CB-CG2 4.27Å; P31-V34 HydrophobicContact CG-CG2 4.37Å; P31-V34 CarbonylContact O-C 3.58Å; P31-V34 WeakPolarHBondContact O-CA 3.01Å; P31-V34 WeakPolarHBondContact O-CB 3.28Å; P31-V34 PolarHBondContact O-N 3.23Å; P31-Q35 PolarHBondContact O-N 2.82Å; P31-M190 HydrophobicContact CG-CE 4.33Å
32T83.9Confident84.9Confident96 Ų9663.9 Ų63.959%0.58932%0.324SS*.Hα-helixtrans-50.8-43-174.4-45.70000113.9V34 Q35 Q36T32-V34 VanDerWaalsContact C-N 3.26Å; T32-V34 PolarHBondContact O-N 2.88Å; T32-Q35 WeakPolarHBondContact O-CB 3.24Å; T32-Q35 PolarHBondContact O-N 2.96Å; T32-Q36 WeakPolarHBondContact O-CG 3.2Å; T32-Q36 PolarHBondContact O-N 3.31Å
33H79.7Confident85.6Confident85 Ų8569.4 Ų69.439%0.39434%0.342SS..Hα-helixtrans-64.6-30177.670.9-86.8000113P31 K37P31-H33 VanDerWaalsContact C-N 3.3Å; P31-H33 PolarHBondContact O-N 3.31Å; P31-H33 VanDerWaalsContact O-N 3.12Å; H33-K37 WeakPolarHBondContact O-CG 3.42Å; H33-K37 PolarHBondContact O-N 2.89Å
34V85.3Confident86Confident9 Ų976.2 Ų76.26%0.05537%0.371CS..Hα-helixtrans-78.3-38.9174.8-178.60000110.6L30 P31 T32 Q36 K37 R38 F60 Q64L30-V34 HydrophobicContact CB-CB 4.15Å; L30-V34 HydrophobicContact CB-CG1 4.04Å; L30-V34 HydrophobicContact CD1-CG1 3.9Å; L30-V34 HydrophobicContact CG-CG1 4.47Å; P31-V34 HydrophobicContact CB-CG2 4.27Å; P31-V34 HydrophobicContact CG-CG2 4.37Å; P31-V34 CarbonylContact O-C 3.58Å; P31-V34 WeakPolarHBondContact O-CA 3.01Å; P31-V34 WeakPolarHBondContact O-CB 3.28Å; P31-V34 PolarHBondContact O-N 3.23Å; T32-V34 VanDerWaalsContact C-N 3.26Å; T32-V34 PolarHBondContact O-N 2.88Å; V34-Q36 VanDerWaalsContact C-N 3.31Å; V34-Q36 PolarHBondContact O-N 2.91Å; V34-K37 WeakPolarHBondContact O-CB 3.32Å; V34-K37 PolarHBondContact O-N 2.91Å; V34-R38 PolarHBondContact O-N 3.34Å; V34-F60 HydrophobicContact CG1-CE1 3.59Å; V34-F60 HydrophobicContact CG1-CZ 4.01Å; V34-Q64 HydrophobicContact CG1-CG 4.08Å
35Q88.2Confident86.2Confident45 Ų4572.3 Ų72.321%0.2135%0.353CS..Hα-helixtrans-57.2-45.1173.8-63.3-178.36.900111.5V27 L28 L30 P31 T32 K37 R38 L39V27-Q35 HydrophobicContact CG1-CG 4.47Å; V27-Q35 WeakPolarHBondContact O-CG 3.32Å; L28-Q35 PolarHBondContact O-NE2 3.18Å; L30-Q35 HydrophobicContact CB-CG 4Å; L30-Q35 WeakPolarHBondContact O-CG 3.37Å; L30-Q35 PolarHBondContact O-NE2 3.12Å; P31-Q35 PolarHBondContact O-N 2.82Å; T32-Q35 WeakPolarHBondContact O-CB 3.24Å; T32-Q35 PolarHBondContact O-N 2.96Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-K37 PolarHBondContact O-N 3.28Å; Q35-R38 WeakPolarHBondContact O-CB 2.94Å; Q35-R38 PolarHBondContact O-N 2.66Å; Q35-R38 VanDerWaalsContact O-N 3.1Å; Q35-L39 PolarHBondContact O-N 2.56Å
36Q89.4Confident86.6Confident122 Ų12274 Ų7457%0.5736%0.364SS*.Hα-helixtrans-61.2-40.9176.9-71.8175.7-9.600112.4T32 V34 R38 L39 K40T32-Q36 WeakPolarHBondContact O-CG 3.2Å; T32-Q36 PolarHBondContact O-N 3.31Å; V34-Q36 VanDerWaalsContact C-N 3.31Å; V34-Q36 PolarHBondContact O-N 2.91Å; Q36-R38 VanDerWaalsContact C-N 3.35Å; Q36-L39 WeakPolarHBondContact O-CB 3.42Å; Q36-L39 PolarHBondContact O-N 3.33Å; Q36-K40 PolarHBondContact O-N 3.49Å
37K89.6Confident87.1Confident93 Ų9383.2 Ų83.240%0.40440%0.398SS..Hα-helixtrans-64-41.8172.9-72.2-178.4-176.1-174.60111.3H33 V34 Q35 L39 K40 T41 F60 Q64H33-K37 WeakPolarHBondContact O-CG 3.42Å; H33-K37 PolarHBondContact O-N 2.89Å; V34-K37 WeakPolarHBondContact O-CB 3.32Å; V34-K37 PolarHBondContact O-N 2.91Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-K37 PolarHBondContact O-N 3.28Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 3.4Å; K37-K40 WeakPolarHBondContact O-CB 3.45Å; K37-K40 PolarHBondContact O-N 3.2Å; K37-T41 PolarHBondContact O-N 3.03Å; K37-T41 PolarHBondContact O-OG1 3.39Å; K37-F60 HydrophobicContact CB-CE2 4.16Å; K37-F60 HydrophobicContact CB-CZ 3.83Å; K37-Q64 VanDerWaalsContact CD-OE1 3.3Å
38R87.6Confident87.2Confident2 Ų284.9 Ų84.91%0.00842%0.422CS..Hα-helixtrans-61-42.4177.7-178.560.8-173.61682.2111.2V27 V34 Q35 Q36 K40 T41 V42 S52 D56 F60V27-R38 HydrophobicContact CG1-CB 4.45Å; V27-R38 HydrophobicContact CG1-CG 4.09Å; V27-R38 HydrophobicContact CG2-CG 3.86Å; V34-R38 PolarHBondContact O-N 3.34Å; Q35-R38 WeakPolarHBondContact O-CB 2.94Å; Q35-R38 PolarHBondContact O-N 2.66Å; Q35-R38 VanDerWaalsContact O-N 3.1Å; Q36-R38 VanDerWaalsContact C-N 3.35Å; R38-K40 VanDerWaalsContact C-N 3.26Å; R38-K40 PolarHBondContact O-N 2.98Å; R38-T41 CarbonylContact O-C 3.58Å; R38-T41 WeakPolarHBondContact O-CA 3.46Å; R38-T41 WeakPolarHBondContact O-CB 3.49Å; R38-T41 PolarHBondContact O-N 3.31Å; R38-V42 HydrophobicContact CG-CG2 4.11Å; R38-V42 WeakPolarHBondContact O-CG2 3.13Å; R38-V42 PolarHBondContact O-N 3.43Å; R38-S52 PolarHBondContact NH2-OG 3.41Å; R38-D56 PolarHBondContact NH1-O 3.34Å; R38-F60 HydrophobicContact CB-CD1 4.23Å; R38-F60 HydrophobicContact CB-CE1 3.61Å; R38-F60 HydrophobicContact CB-CE2 4.34Å; R38-F60 HydrophobicContact CB-CZ 3.68Å; R38-F60 HydrophobicContact CG-CD1 4.37Å; R38-F60 HydrophobicContact CG-CE1 4.23Å; R38-F60 VanDerWaalsContact N-CZ 3.31Å; R38-F60 VanDerWaalsContact NH1-CB 3.29Å
39L90.5Very high87.4Confident122 Ų12282.7 Ų82.764%0.63943%0.429SS*.Hα-helixtrans-52.8-43.7175.4-114.1160.4000111.8Q35 Q36 K37 T41 V42 Y43Q35-L39 PolarHBondContact O-N 2.56Å; Q36-L39 WeakPolarHBondContact O-CB 3.42Å; Q36-L39 PolarHBondContact O-N 3.33Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 3.4Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-T41 PolarHBondContact O-N 3.27Å; L39-V42 PolarHBondContact O-N 3.3Å; L39-Y43 WeakPolarHBondContact O-CB 3.48Å; L39-Y43 PolarHBondContact O-N 3.46Å
40K91.2Very high87.8Confident152 Ų15282.9 Ų82.966%0.66143%0.426SS*.Hα-helixtrans-62.7-39.9175.2-63.2-178.7-179.4-176.40112.3Q36 K37 R38 K44Q36-K40 PolarHBondContact O-N 3.49Å; K37-K40 WeakPolarHBondContact O-CB 3.45Å; K37-K40 PolarHBondContact O-N 3.2Å; R38-K40 VanDerWaalsContact C-N 3.26Å; R38-K40 PolarHBondContact O-N 2.98Å; K40-K44 WeakPolarHBondContact O-CG 3.05Å; K40-K44 PolarHBondContact O-N 2.81Å
41T90.2Very high88Confident46 Ų4689.5 Ų89.528%0.28246%0.457SS..Hα-helixtrans-68.3-45.2176.9-55.10000111.5K37 R38 L39 Y43 K44 I45K37-T41 PolarHBondContact O-N 3.03Å; K37-T41 PolarHBondContact O-OG1 3.39Å; R38-T41 CarbonylContact O-C 3.58Å; R38-T41 WeakPolarHBondContact O-CA 3.46Å; R38-T41 WeakPolarHBondContact O-CB 3.49Å; R38-T41 PolarHBondContact O-N 3.31Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-T41 PolarHBondContact O-N 3.27Å; T41-Y43 VanDerWaalsContact C-N 3.34Å; T41-Y43 PolarHBondContact O-N 3.27Å; T41-K44 WeakPolarHBondContact O-CB 3.24Å; T41-K44 PolarHBondContact O-N 3.25Å; T41-K44 VanDerWaalsContact O-N 3.15Å; T41-I45 HydrophobicContact CG2-CD1 4.08Å; T41-I45 WeakPolarHBondContact O-CG1 3.38Å; T41-I45 PolarHBondContact O-N 2.61Å
42V89.8Confident88.3Confident40 Ų4088.4 Ų88.424%0.24245%0.45CS..Hα-helixtrans-61-44.3177.3173.30000110.4R38 L39 K44 I45 T46R38-V42 HydrophobicContact CG-CG2 4.11Å; R38-V42 WeakPolarHBondContact O-CG2 3.13Å; R38-V42 PolarHBondContact O-N 3.43Å; L39-V42 PolarHBondContact O-N 3.3Å; V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 3.27Å; V42-I45 PolarHBondContact O-N 2.46Å; V42-T46 PolarHBondContact O-N 3.45Å; V42-T46 PolarHBondContact O-OG1 3.35Å; V42-T46 VanDerWaalsContact O-OG1 3.08Å
43Y90.5Very high88.4Confident149 Ų14986.3 Ų86.358%0.58444%0.435SS*.Hα-helixtrans-55.4-40.9175177.7-97.1000112.7L39 T41 R47L39-Y43 WeakPolarHBondContact O-CB 3.48Å; L39-Y43 PolarHBondContact O-N 3.46Å; T41-Y43 VanDerWaalsContact C-N 3.34Å; T41-Y43 PolarHBondContact O-N 3.27Å; Y43-R47 VanDerWaalsContact O-CB 3.27Å; Y43-R47 WeakPolarHBondContact O-CB 3.4Å; Y43-R47 PolarHBondContact O-N 3.32Å
44K91.6Very high88.5Confident159 Ų15983.2 Ų83.269%0.69142%0.421SS*.Hα-helixtrans-66.2-40.4175.5-69.8176.4-179.7-174.60112.5K40 T41 V42 G48K40-K44 WeakPolarHBondContact O-CG 3.05Å; K40-K44 PolarHBondContact O-N 2.81Å; T41-K44 WeakPolarHBondContact O-CB 3.24Å; T41-K44 PolarHBondContact O-N 3.25Å; T41-K44 VanDerWaalsContact O-N 3.15Å; V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 3.27Å; K44-G48 PolarHBondContact O-N 3.34Å
45I89.2Confident88.4Confident30 Ų3085.3 Ų85.315%0.15444%0.439CS..Hα-helixtrans-64.9-49.1178.2-65.9165.9000110.1T41 V42 R47 G48 R50 D56T41-I45 HydrophobicContact CG2-CD1 4.08Å; T41-I45 WeakPolarHBondContact O-CG1 3.38Å; T41-I45 PolarHBondContact O-N 2.61Å; V42-I45 PolarHBondContact O-N 2.46Å; I45-R47 VanDerWaalsContact C-N 3.35Å; I45-R47 PolarHBondContact O-N 3.3Å; I45-G48 WeakPolarHBondContact O-CA 3.22Å; I45-G48 PolarHBondContact O-N 2.84Å; I45-R50 CarbonylContact C-O 3.5Å; I45-R50 HydrophobicContact CG2-CB 4.14Å; I45-R50 HydrophobicContact CG2-CG 3.78Å; I45-R50 WeakPolarHBondContact CG2-O 3.3Å; I45-R50 PolarHBondContact O-N 3.26Å; I45-D56 HydrophobicContact CD1-CB 3.94Å
46T88.3Confident88.4Confident85 Ų8584.8 Ų84.852%0.52144%0.437SS..Hα-helixtrans-63.1-39.3178.8-540000112V42 G48 G49 R50V42-T46 PolarHBondContact O-N 3.45Å; V42-T46 PolarHBondContact O-OG1 3.35Å; V42-T46 VanDerWaalsContact O-OG1 3.08Å; T46-G48 PolarHBondContact O-N 2.8Å; T46-G49 PolarHBondContact O-N 3.48Å; T46-R50 WeakPolarHBondContact CA-O 3.46Å
47R90.6Very high88.2Confident200 Ų20079 Ų7976%0.75541%0.411SS*.Hα-helixtrans-62.5-26.8173.6-176.2174.1174.5164-1.5112.7Y43 I45 G49Y43-R47 VanDerWaalsContact O-CB 3.27Å; Y43-R47 WeakPolarHBondContact O-CB 3.4Å; Y43-R47 PolarHBondContact O-N 3.32Å; I45-R47 VanDerWaalsContact C-N 3.35Å; I45-R47 PolarHBondContact O-N 3.3Å; R47-G49 PolarHBondContact O-N 3.12Å
48G89Confident87.8Confident65 Ų6575.1 Ų75.167%0.6740%0.395SS*.THydrogen-bonded Turntrans-80.14.5172.700000114.6K44 I45 T46 R50K44-G48 PolarHBondContact O-N 3.34Å; I45-G48 WeakPolarHBondContact O-CA 3.22Å; I45-G48 PolarHBondContact O-N 2.84Å; T46-G48 PolarHBondContact O-N 2.8Å; G48-R50 VanDerWaalsContact C-N 3.3Å; G48-R50 PolarHBondContact O-N 3.01Å
49G88Confident87.7Confident76 Ų7677.9 Ų77.978%0.78442%0.418SS*.THydrogen-bonded Turntrans76.213.7179.100000114.7T46 R47T46-G49 PolarHBondContact O-N 3.48Å; R47-G49 PolarHBondContact O-N 3.12Å
50R89.5Confident87.6Confident117 Ų11772.4 Ų72.444%0.44239%0.389SS..  trans-111.9149.1178.2161.6175.7165.7146.3-10.1110.3I45 T46 G48 D56I45-R50 CarbonylContact C-O 3.5Å; I45-R50 HydrophobicContact CG2-CB 4.14Å; I45-R50 HydrophobicContact CG2-CG 3.78Å; I45-R50 WeakPolarHBondContact CG2-O 3.3Å; I45-R50 PolarHBondContact O-N 3.26Å; T46-R50 WeakPolarHBondContact CA-O 3.46Å; G48-R50 VanDerWaalsContact C-N 3.3Å; G48-R50 PolarHBondContact O-N 3.01Å; R50-D56 IonicContact CZ-OD1 2.78Å; R50-D56 IonicContact CZ-OD2 3.38Å; R50-D56 IonicContact NE-OD2 2.82Å; R50-D56 PolarHBondContact NE-OD2 3.07Å; R50-D56 IonicContact NH2-OD1 3.5Å; R50-D56 PolarHBondContact NH2-OD1 3.22Å; R50-D56 IonicContact NH2-OD2 3.8Å; R50-D56 PolarHBondContact NH2-OD2 3.31Å
51E84.8Confident87.2Confident148 Ų14866 Ų6669%0.69236%0.362SS*.PPolyproline II helixtrans-80.9146.4167.2-65.8-172.3160.100111.6L53E51-L53 PolarHBondContact O-N 3.4Å
52S86.6Confident86.8Confident16 Ų1668.2 Ų68.211%0.11237%0.368CS..PPolyproline II helixtrans-61.2125.7169.9169.70000108.4I23 R38I23-S52 WeakPolarHBondContact CD1-O 3.23Å; R38-S52 PolarHBondContact NH2-OG 3.41Å
53L87.2Confident86.4Confident52 Ų5271.2 Ų71.227%0.27238%0.38SS..PPolyproline II helixtrans-99.2165.9173.7-60.7-175.9000111.1N18 E51 A55 D56 V57N18-L53 HydrophobicContact CB-CD2 4.18Å; N18-L53 WeakPolarHBondContact OD1-CB 3.44Å; E51-L53 PolarHBondContact O-N 3.4Å; L53-A55 PolarHBondContact O-N 2.85Å; L53-D56 PolarHBondContact N-OD2 3.36Å; L53-D56 WeakPolarHBondContact O-CB 3.39Å; L53-D56 PolarHBondContact O-N 3.23Å; L53-V57 PolarHBondContact O-N 3.35Å
54F80.8Confident86Confident19 Ų1965.1 Ų65.18%0.08336%0.356CS..Hα-helixtrans-54.8-40.4172.2179.1-97.7000112L8 L17 N18 M26 D56 V57 T58L8-F54 HydrophobicContact CD1-CZ 4.38Å; L17-F54 HydrophobicContact CB-CB 3.98Å; L17-F54 HydrophobicContact CB-CD1 4.48Å; L17-F54 HydrophobicContact CB-CD2 4.15Å; L17-F54 HydrophobicContact CB-CG 3.97Å; L17-F54 HydrophobicContact CD1-CD1 4.25Å; L17-F54 HydrophobicContact CD1-CE1 4.38Å; L17-F54 HydrophobicContact CD2-CD2 4.22Å; L17-F54 HydrophobicContact CD2-CE2 4.08Å; L17-F54 HydrophobicContact CD2-CZ 4.36Å; N18-F54 WeakPolarHBondContact OD1-CB 3.44Å; N18-F54 PolarHBondContact OD1-N 2.85Å; M26-F54 HydrophobicContact CE-CD2 3.89Å; M26-F54 HydrophobicContact CE-CE2 3.3Å; M26-F54 HydrophobicContact CE-CZ 4Å; M26-F54 HydrophobicContact SD-CD2 3.42Å; M26-F54 WeakPolarHBondContact SD-CD2 3.38Å; M26-F54 HydrophobicContact SD-CE2 3.35Å; M26-F54 WeakPolarHBondContact SD-CE2 3.44Å; F54-D56 VanDerWaalsContact C-N 3.26Å; F54-D56 PolarHBondContact O-N 3.2Å; F54-V57 PolarHBondContact O-N 3.23Å; F54-V57 VanDerWaalsContact O-N 3.15Å; F54-T58 HydrophobicContact CD1-CG2 3.97Å; F54-T58 HydrophobicContact CE1-CG2 3.53Å; F54-T58 HydrophobicContact CE2-CG2 4.2Å; F54-T58 HydrophobicContact CG-CG2 4.46Å; F54-T58 HydrophobicContact CZ-CG2 3.65Å; F54-T58 WeakPolarHBondContact O-CG2 3.22Å; F54-T58 PolarHBondContact O-N 3.19Å; F54-T58 PolarHBondContact O-OG1 2.8Å; F54-T58 VanDerWaalsContact O-OG1 3.11Å
55A83.7Confident85.2Confident53 Ų5358.5 Ų58.544%0.43833%0.332SS..Hα-helixtrans-56.7-38.8174.400000112.3L53 V57 T58 A59L53-A55 PolarHBondContact O-N 2.85Å; A55-V57 PolarHBondContact O-N 3.06Å; A55-T58 WeakPolarHBondContact CA-OG1 3.5Å; A55-T58 PolarHBondContact O-OG1 3.07Å; A55-A59 VanDerWaalsContact O-CB 3.23Å; A55-A59 WeakPolarHBondContact O-CB 3.36Å; A55-A59 PolarHBondContact O-N 3.2Å
56D88.4Confident84.6Confident34 Ų3461.2 Ų61.218%0.18235%0.346CS..Hα-helixtrans-69.7-35.4179.5-59.5-39.3000111.7R38 I45 R50 L53 F54 F60R38-D56 PolarHBondContact NH1-O 3.34Å; I45-D56 HydrophobicContact CD1-CB 3.94Å; R50-D56 IonicContact CZ-OD1 2.78Å; R50-D56 IonicContact CZ-OD2 3.38Å; R50-D56 IonicContact NE-OD2 2.82Å; R50-D56 PolarHBondContact NE-OD2 3.07Å; R50-D56 IonicContact NH2-OD1 3.5Å; R50-D56 PolarHBondContact NH2-OD1 3.22Å; R50-D56 IonicContact NH2-OD2 3.8Å; R50-D56 PolarHBondContact NH2-OD2 3.31Å; L53-D56 PolarHBondContact N-OD2 3.36Å; L53-D56 WeakPolarHBondContact O-CB 3.39Å; L53-D56 PolarHBondContact O-N 3.23Å; F54-D56 VanDerWaalsContact C-N 3.26Å; F54-D56 PolarHBondContact O-N 3.2Å; D56-F60 VanDerWaalsContact O-CB 3.24Å; D56-F60 WeakPolarHBondContact O-CB 3.46Å; D56-F60 PolarHBondContact O-N 3.36Å; D56-F60 VanDerWaalsContact O-N 3.13Å
57V84.8Confident83.8Confident1 Ų160.6 Ų60.61%0.00634%0.339CS..Hα-helixtrans-70-47.5177.5-178.80000109.9I23 M26 L53 F54 A55 F60 V61I23-V57 HydrophobicContact CG2-CG2 3.85Å; M26-V57 HydrophobicContact CB-CG1 3.99Å; M26-V57 HydrophobicContact CE-CG1 4.23Å; M26-V57 HydrophobicContact SD-CG1 4.22Å; L53-V57 PolarHBondContact O-N 3.35Å; F54-V57 PolarHBondContact O-N 3.23Å; F54-V57 VanDerWaalsContact O-N 3.15Å; A55-V57 PolarHBondContact O-N 3.06Å; V57-F60 WeakPolarHBondContact O-CB 3.3Å; V57-F60 PolarHBondContact O-N 3.36Å; V57-V61 HydrophobicContact CG1-CG2 4.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.46Å; V57-V61 PolarHBondContact O-N 3.23Å
58T81.7Confident83Confident12 Ų1252.9 Ų52.97%0.07431%0.313CS..Hα-helixtrans-64.8-43-179.553.40000112.1M1 M26 F54 A55 F60 V61 K62 M194M1-T58 HydrophobicContact SD-CG2 4.02Å; M26-T58 HydrophobicContact CE-CG2 4.17Å; F54-T58 HydrophobicContact CD1-CG2 3.97Å; F54-T58 HydrophobicContact CE1-CG2 3.53Å; F54-T58 HydrophobicContact CE2-CG2 4.2Å; F54-T58 HydrophobicContact CG-CG2 4.46Å; F54-T58 HydrophobicContact CZ-CG2 3.65Å; F54-T58 WeakPolarHBondContact O-CG2 3.22Å; F54-T58 PolarHBondContact O-N 3.19Å; F54-T58 PolarHBondContact O-OG1 2.8Å; F54-T58 VanDerWaalsContact O-OG1 3.11Å; A55-T58 WeakPolarHBondContact CA-OG1 3.5Å; A55-T58 PolarHBondContact O-OG1 3.07Å; T58-F60 VanDerWaalsContact C-N 3.33Å; T58-F60 PolarHBondContact O-N 2.98Å; T58-V61 PolarHBondContact O-N 2.84Å; T58-K62 WeakPolarHBondContact O-CB 3.44Å; T58-K62 PolarHBondContact O-N 2.89Å; T58-M194 HydrophobicContact CG2-CE 3.73Å
59A86.4Confident82Confident60 Ų6054.3 Ų54.350%0.49631%0.306SS..Hα-helixtrans-58.6-45.1172.900000111.7A55 K62 E63A55-A59 VanDerWaalsContact O-CB 3.23Å; A55-A59 WeakPolarHBondContact O-CB 3.36Å; A55-A59 PolarHBondContact O-N 3.2Å; A59-K62 WeakPolarHBondContact O-CB 3.27Å; A59-K62 PolarHBondContact O-N 2.74Å; A59-E63 WeakPolarHBondContact O-CB 3.38Å; A59-E63 PolarHBondContact O-N 3.47Å
60F87.8Confident81.4Confident7 Ų753.6 Ų53.63%0.03129%0.286CS..Hα-helixtrans-62.6-44.9177.3171.9-92.5000112.6L30 V34 K37 R38 D56 V57 T58 K62 E63 Q64L30-F60 HydrophobicContact CD1-CD1 4.5Å; L30-F60 HydrophobicContact CD1-CE1 4.14Å; V34-F60 HydrophobicContact CG1-CE1 3.59Å; V34-F60 HydrophobicContact CG1-CZ 4.01Å; K37-F60 HydrophobicContact CB-CE2 4.16Å; K37-F60 HydrophobicContact CB-CZ 3.83Å; R38-F60 HydrophobicContact CB-CD1 4.23Å; R38-F60 HydrophobicContact CB-CE1 3.61Å; R38-F60 HydrophobicContact CB-CE2 4.34Å; R38-F60 HydrophobicContact CB-CZ 3.68Å; R38-F60 HydrophobicContact CG-CD1 4.37Å; R38-F60 HydrophobicContact CG-CE1 4.23Å; R38-F60 VanDerWaalsContact N-CZ 3.31Å; R38-F60 VanDerWaalsContact NH1-CB 3.29Å; D56-F60 VanDerWaalsContact O-CB 3.24Å; D56-F60 WeakPolarHBondContact O-CB 3.46Å; D56-F60 PolarHBondContact O-N 3.36Å; D56-F60 VanDerWaalsContact O-N 3.13Å; V57-F60 WeakPolarHBondContact O-CB 3.3Å; V57-F60 PolarHBondContact O-N 3.36Å; T58-F60 VanDerWaalsContact C-N 3.33Å; T58-F60 PolarHBondContact O-N 2.98Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 3.42Å; F60-E63 PolarHBondContact O-N 3.04Å; F60-Q64 HydrophobicContact CD1-CG 4.26Å; F60-Q64 HydrophobicContact CE1-CG 3.81Å; F60-Q64 HydrophobicContact CE2-CG 4.14Å; F60-Q64 HydrophobicContact CZ-CG 3.73Å; F60-Q64 WeakPolarHBondContact O-CG 3.44Å; F60-Q64 PolarHBondContact O-N 2.87Å
61V83.3Confident80.8Confident16 Ų1656.9 Ų56.910%0.09730%0.298CS..Hα-helixtrans-63.6-38.6178.1175.70000110.6M1 L30 V57 T58 Q64 A65 M190M1-V61 HydrophobicContact CE-CB 3.83Å; M1-V61 HydrophobicContact CE-CG1 3.6Å; M1-V61 HydrophobicContact SD-CB 4.38Å; L30-V61 HydrophobicContact CD1-CG2 4.37Å; L30-V61 HydrophobicContact CD2-CG2 3.78Å; V57-V61 HydrophobicContact CG1-CG2 4.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.46Å; V57-V61 PolarHBondContact O-N 3.23Å; T58-V61 PolarHBondContact O-N 2.84Å; V61-Q64 PolarHBondContact O-N 3.19Å; V61-A65 PolarHBondContact O-N 2.97Å; V61-M190 HydrophobicContact CG1-SD 4.04Å
62K80Confident80.5Confident93 Ų9356.9 Ų56.940%0.40429%0.293SS..Hα-helixtrans-62.2-49.1175.6-175.1-178.9176.5-175.20110.9M1 T58 A59 F60 Q64 A65 D66M1-K62 HydrophobicContact CE-CB 3.94Å; T58-K62 WeakPolarHBondContact O-CB 3.44Å; T58-K62 PolarHBondContact O-N 2.89Å; A59-K62 WeakPolarHBondContact O-CB 3.27Å; A59-K62 PolarHBondContact O-N 2.74Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 3.42Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-Q64 PolarHBondContact O-N 3.24Å; K62-A65 WeakPolarHBondContact O-CB 3.42Å; K62-A65 PolarHBondContact O-N 3.05Å; K62-A65 VanDerWaalsContact O-N 3.1Å; K62-D66 PolarHBondContact O-N 3.47Å
63E82.8Confident79.9Confident104 Ų10456.6 Ų56.649%0.48629%0.293SS..Hα-helixtrans-57.7-43.5177-169.5-163.3151.100112A59 F60 A65 D66 M67A59-E63 WeakPolarHBondContact O-CB 3.38Å; A59-E63 PolarHBondContact O-N 3.47Å; F60-E63 PolarHBondContact O-N 3.04Å; E63-A65 PolarHBondContact O-N 2.86Å; E63-D66 PolarHBondContact O-N 3.48Å; E63-M67 HydrophobicContact CG-CE 4.13Å; E63-M67 WeakPolarHBondContact O-CB 3.23Å; E63-M67 WeakPolarHBondContact O-CG 3.35Å; E63-M67 PolarHBondContact O-N 3.31Å
64Q80.8Confident78.9Confident20 Ų2058.7 Ų58.79%0.09330%0.304CS..Hα-helixtrans-63.5-40.5175.8-64.8-60.9-47.200112.1V34 K37 F60 V61 K62 M67 V68V34-Q64 HydrophobicContact CG1-CG 4.08Å; K37-Q64 VanDerWaalsContact CD-OE1 3.3Å; F60-Q64 HydrophobicContact CD1-CG 4.26Å; F60-Q64 HydrophobicContact CE1-CG 3.81Å; F60-Q64 HydrophobicContact CE2-CG 4.14Å; F60-Q64 HydrophobicContact CZ-CG 3.73Å; F60-Q64 WeakPolarHBondContact O-CG 3.44Å; F60-Q64 PolarHBondContact O-N 2.87Å; V61-Q64 PolarHBondContact O-N 3.19Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-Q64 PolarHBondContact O-N 3.24Å; Q64-M67 HydrophobicContact CG-CE 4.31Å; Q64-M67 PolarHBondContact O-N 3.46Å; Q64-V68 WeakPolarHBondContact O-CB 3.46Å; Q64-V68 VanDerWaalsContact O-CG2 3.24Å; Q64-V68 WeakPolarHBondContact O-CG2 3.39Å; Q64-V68 PolarHBondContact O-N 3.34Å
65A76.6Confident78.5Confident21 Ų2163.3 Ų63.317%0.17433%0.329CS..Hα-helixtrans-64.3-45.8177.100000111.2V61 K62 E63 M67 V68 N69V61-A65 PolarHBondContact O-N 2.97Å; K62-A65 WeakPolarHBondContact O-CB 3.42Å; K62-A65 PolarHBondContact O-N 3.05Å; K62-A65 VanDerWaalsContact O-N 3.1Å; E63-A65 PolarHBondContact O-N 2.86Å; A65-M67 PolarHBondContact O-N 3.18Å; A65-V68 PolarHBondContact O-N 3.05Å; A65-N69 VanDerWaalsContact O-CG 3.25Å; A65-N69 PolarHBondContact O-N 3.44Å; A65-N69 VanDerWaalsContact O-N 3.08Å; A65-N69 PolarHBondContact O-ND2 3.29Å
66D74.9Confident78Confident87 Ų8766.4 Ų66.447%0.46534%0.342SS..Hα-helixtrans-62.1-44.4177.7-66.7-20.1000110.8K62 E63 V68 N69 T70K62-D66 PolarHBondContact O-N 3.47Å; E63-D66 PolarHBondContact O-N 3.48Å; D66-V68 PolarHBondContact O-N 3.44Å; D66-N69 PolarHBondContact O-N 3.04Å; D66-N69 VanDerWaalsContact O-N 3.17Å; D66-T70 WeakPolarHBondContact O-CG2 3.24Å; D66-T70 PolarHBondContact O-N 2.92Å
67M72.7Confident76.8Confident72 Ų7267.5 Ų67.536%0.35535%0.348SS..Hα-helixtrans-59.6-42.8175.6-80.4-167.8-69.100113.1E63 Q64 A65 N69 T70 G73E63-M67 HydrophobicContact CG-CE 4.13Å; E63-M67 WeakPolarHBondContact O-CB 3.23Å; E63-M67 WeakPolarHBondContact O-CG 3.35Å; E63-M67 PolarHBondContact O-N 3.31Å; Q64-M67 HydrophobicContact CG-CE 4.31Å; Q64-M67 PolarHBondContact O-N 3.46Å; A65-M67 PolarHBondContact O-N 3.18Å; M67-N69 VanDerWaalsContact C-N 3.27Å; M67-N69 PolarHBondContact O-N 3.14Å; M67-T70 WeakPolarHBondContact O-CB 3.33Å; M67-T70 WeakPolarHBondContact O-CG2 3.27Å; M67-T70 PolarHBondContact O-N 3.35Å; M67-T70 PolarHBondContact O-OG1 3.15Å; M67-G73 WeakPolarHBondContact O-CA 3.08Å
68V72.9Confident75.5Confident37 Ų3777.5 Ų77.522%0.22439%0.385CS..Hα-helixtrans-64.4-35.1177.9165.20000111.4Q64 A65 D66 T70 G73 L74Q64-V68 WeakPolarHBondContact O-CB 3.46Å; Q64-V68 VanDerWaalsContact O-CG2 3.24Å; Q64-V68 WeakPolarHBondContact O-CG2 3.39Å; Q64-V68 PolarHBondContact O-N 3.34Å; A65-V68 PolarHBondContact O-N 3.05Å; D66-V68 PolarHBondContact O-N 3.44Å; V68-T70 VanDerWaalsContact C-N 3.27Å; V68-T70 PolarHBondContact O-N 3.05Å; V68-G73 CarbonylContact O-C 3.31Å; V68-G73 VanDerWaalsContact O-C 3.31Å; V68-G73 WeakPolarHBondContact O-CA 3.47Å; V68-L74 PolarHBondContact O-N 3.38Å
69N69.4Low73.7Confident95 Ų9579.9 Ų79.951%0.50841%0.412SS..Hα-helixtrans-79.5-6.6179.9-67.8-23.9000113.6A65 D66 M67A65-N69 VanDerWaalsContact O-CG 3.25Å; A65-N69 PolarHBondContact O-N 3.44Å; A65-N69 VanDerWaalsContact O-N 3.08Å; A65-N69 PolarHBondContact O-ND2 3.29Å; D66-N69 PolarHBondContact O-N 3.04Å; D66-N69 VanDerWaalsContact O-N 3.17Å; M67-N69 VanDerWaalsContact C-N 3.27Å; M67-N69 PolarHBondContact O-N 3.14Å
70T74Confident71.9Confident61 Ų6182 Ų8237%0.37442%0.424SS..SBendtrans-67.2157.5172.768.60000111.6D66 M67 V68 Y72 G73 L74D66-T70 WeakPolarHBondContact O-CG2 3.24Å; D66-T70 PolarHBondContact O-N 2.92Å; M67-T70 WeakPolarHBondContact O-CB 3.33Å; M67-T70 WeakPolarHBondContact O-CG2 3.27Å; M67-T70 PolarHBondContact O-N 3.35Å; M67-T70 PolarHBondContact O-OG1 3.15Å; V68-T70 VanDerWaalsContact C-N 3.27Å; V68-T70 PolarHBondContact O-N 3.05Å; T70-Y72 PolarHBondContact O-N 3.25Å; T70-Y72 VanDerWaalsContact O-N 3.12Å; T70-G73 PolarHBondContact O-N 3.18Å; T70-G73 PolarHBondContact OG1-N 3.29Å; T70-L74 WeakPolarHBondContact O-CG 3.37Å; T70-L74 PolarHBondContact O-N 3.15Å
71R78.2Confident69.7Low186 Ų18689.4 Ų89.470%0.70246%0.463SS*.Hα-helixtrans-49.9-38.3172.967-173.6-69.3176.2-0.6112.8L75R71-L75 WeakPolarHBondContact O-CG 3.37Å; R71-L75 PolarHBondContact O-N 2.82Å
72Y78.1Confident67.6Low149 Ų14994.5 Ų94.558%0.58450%0.495SS*.Hα-helixtrans-79.6-37.1179.2-56.2-74.2000112.1T70 L74 L75 V76T70-Y72 PolarHBondContact O-N 3.25Å; T70-Y72 VanDerWaalsContact O-N 3.12Å; Y72-L74 VanDerWaalsContact C-N 3.27Å; Y72-L74 PolarHBondContact O-N 3.33Å; Y72-L75 HydrophobicContact CD1-CD1 4.38Å; Y72-L75 WeakPolarHBondContact O-CB 3.22Å; Y72-L75 PolarHBondContact O-N 2.98Å; Y72-L75 VanDerWaalsContact O-N 3.1Å; Y72-V76 WeakPolarHBondContact O-CG2 3.31Å; Y72-V76 PolarHBondContact O-N 3.44Å
73G73.4Confident66Low10 Ų1097.1 Ų97.110%0.10351%0.513CS..Hα-helixtrans-59-39173.700000112.4M67 V68 T70 N77M67-G73 WeakPolarHBondContact O-CA 3.08Å; V68-G73 CarbonylContact O-C 3.31Å; V68-G73 VanDerWaalsContact O-C 3.31Å; V68-G73 WeakPolarHBondContact O-CA 3.47Å; T70-G73 PolarHBondContact O-N 3.18Å; T70-G73 PolarHBondContact OG1-N 3.29Å; G73-N77 VanDerWaalsContact O-CB 3.27Å; G73-N77 WeakPolarHBondContact O-CB 3.19Å; G73-N77 PolarHBondContact O-N 2.73Å; G73-N77 PolarHBondContact O-ND2 3.01Å
74L66.6Low63.9Low95 Ų9599.2 Ų99.250%0.49753%0.528SS..Hα-helixtrans-66.9-35.6174.1-66.1176.3000112.6V68 T70 Y72 R78V68-L74 PolarHBondContact O-N 3.38Å; T70-L74 WeakPolarHBondContact O-CG 3.37Å; T70-L74 PolarHBondContact O-N 3.15Å; Y72-L74 VanDerWaalsContact C-N 3.27Å; Y72-L74 PolarHBondContact O-N 3.33Å; L74-R78 VanDerWaalsContact O-CB 3.28Å; L74-R78 WeakPolarHBondContact O-CB 3.34Å; L74-R78 WeakPolarHBondContact O-CG 3.26Å; L74-R78 PolarHBondContact O-N 3.28Å
75L72.9Confident62.2Low116 Ų116108 Ų10861%0.60757%0.566SS**Hα-helixtrans-66.8-48.3175.3-67.6171.1000111.5R71 Y72 N77 R78R71-L75 WeakPolarHBondContact O-CG 3.37Å; R71-L75 PolarHBondContact O-N 2.82Å; Y72-L75 HydrophobicContact CD1-CD1 4.38Å; Y72-L75 WeakPolarHBondContact O-CB 3.22Å; Y72-L75 PolarHBondContact O-N 2.98Å; Y72-L75 VanDerWaalsContact O-N 3.1Å; L75-N77 VanDerWaalsContact C-N 3.29Å; L75-N77 PolarHBondContact O-N 3.04Å; L75-R78 PolarHBondContact O-N 3.27Å
76V71.8Confident60.5Low118 Ų118113.8 Ų113.872%0.71559%0.594SS**Hα-helixtrans-65.6-34.7179.9177.40000111.3Y72Y72-V76 WeakPolarHBondContact O-CG2 3.31Å; Y72-V76 PolarHBondContact O-N 3.44Å
77N64.1Low58.8Low57 Ų57117.3 Ų117.331%0.30561%0.611SS.*Hα-helixtrans-85-10.1178-71.8-56.4000114.5G73 L75 G79 R186G73-N77 VanDerWaalsContact O-CB 3.27Å; G73-N77 WeakPolarHBondContact O-CB 3.19Å; G73-N77 PolarHBondContact O-N 2.73Å; G73-N77 PolarHBondContact O-ND2 3.01Å; L75-N77 VanDerWaalsContact C-N 3.29Å; L75-N77 PolarHBondContact O-N 3.04Å; N77-G79 VanDerWaalsContact C-N 3.3Å; N77-R186 PolarHBondContact OD1-NH1 3.38Å; N77-R186 PolarHBondContact OD1-NH2 3.39Å
78R56.3Low57Low212 Ų212117 Ų11780%0.863%0.626SS**THydrogen-bonded Turntrans-75.5-16.4174.4-102.7-176.3-177.1-135.91.8113.2L74 L75 S80L74-R78 VanDerWaalsContact O-CB 3.28Å; L74-R78 WeakPolarHBondContact O-CB 3.34Å; L74-R78 WeakPolarHBondContact O-CG 3.26Å; L74-R78 PolarHBondContact O-N 3.28Å; L75-R78 PolarHBondContact O-N 3.27Å; R78-S80 PolarHBondContact O-N 2.76Å
79G43.8Very low55.2Low62 Ų62121.5 Ų121.564%0.63965%0.653SS**THydrogen-bonded Turntrans-88.692.9-176.400000113.4N77N77-G79 VanDerWaalsContact C-N 3.3Å
80S48.9Very low53.8Low105 Ų105124.8 Ų124.873%0.73467%0.67SS**THydrogen-bonded Turntrans-172-1.3147.4-164.90000113.5R78 T82R78-S80 PolarHBondContact O-N 2.76Å; S80-T82 PolarHBondContact O-N 3.42Å
81N43.3Very low52.3Low161 Ų161132.1 Ų132.186%0.86170%0.697SS**  trans-98.965.8168.3-68.8-2.1000109.1D83N81-D83 PolarHBondContact O-N 3.29Å
82T38.4Very low50Low124 Ų124126.5 Ų126.576%0.76170%0.697SS**  trans-85.984.5165.249.20000108.2S80S80-T82 PolarHBondContact O-N 3.42Å
83D45.2Very low48.2Very low147 Ų147130.9 Ų130.979%0.78671%0.712SS**  trans-124.691.9152.3-73.7-42000106.8N81N81-D83 PolarHBondContact O-N 3.29Å
84N40.7Very low46.6Very low149 Ų149137.3 Ų137.380%0.79774%0.743SS**  trans45.598.2147.4-54.6-40.2000119.6
85K43.2Very low45.2Very low205 Ų205140 Ų14089%0.89176%0.758SS**  -178.3122.9115.8-114177170.8173.70113.3
86D41.8Very low43.6Very low142 Ų142138.2 Ų138.276%0.75976%0.76SS**  trans-39.9135.5162.2-67.3-66.4000113.4
87I40.2Very low41.9Very low160 Ų160139.6 Ų139.682%0.82176%0.763SS**  47.193.179.2-51.9179.9000112.3
88G33.1Very low41.1Very low65 Ų65147.8 Ų147.867%0.6779%0.791SS**  trans96.1134.8138.400000118.4
89V35.5Very low40.4Very low132 Ų132146 Ų14680%0.880%0.798SS**  trans81.898.3144.2-166.80000117.7
90L40.9Very low40.1Very low165 Ų165147.6 Ų147.686%0.86480%0.804SS**  29.997.9129-63.6159.8000118.2
91K41.3Very low39.9Very low214 Ų214147.4 Ų147.493%0.9381%0.81SS**  trans-178129.1130.3-120.3168.3174.9171.80111.2
92G31.5Very low39.8Very low68 Ų68150.4 Ų150.470%0.70181%0.809SS**  trans-76.1154.7173.200000113.2
93R40.3Very low40.3Very low241 Ų241151.8 Ų151.891%0.90981%0.81SS**  174.6113.2125.6-92.9179.2-167.5-157.24.3109.5
94I37.9Very low39.9Very low146 Ų146148.5 Ų148.575%0.74980%0.798SS**  trans30.6113.3137.4-32178.7000117.7
95N38.9Very low39.8Very low151 Ų151151.7 Ų151.781%0.80780%0.801SS**  174.9128.4116-88.2-20.1000113.1
96A37.6Very low39.6Very low79 Ų79147.4 Ų147.465%0.65379%0.792SS**  trans61.9118.2143.400000120.6
97D37.9Very low39.1Very low147 Ų147147.3 Ų147.379%0.78680%0.801SS**  trans69.579.3138.9-50.8-21.9000118.3
98Y45.6Very low39Very low229 Ų229144.8 Ų144.890%0.89880%0.797SS**  -179.8122.4125.2-117.7-106.2000109.7A100Y98-A100 PolarHBondContact O-N 3.05Å
99N42.2Very low39.2Very low175 Ų175146.8 Ų146.894%0.93680%0.801SS**  trans-68.497-175.6-72.7-58.4000112.4
100A37.1Very low39.2Very low94 Ų94147.2 Ų147.278%0.77780%0.799SS**  trans-102.4103.4161.500000109.2Y98 R102Y98-A100 PolarHBondContact O-N 3.05Å; A100-R102 PolarHBondContact O-N 3.38Å
101A45.7Very low39Very low102 Ų102147.3 Ų147.384%0.84380%0.8SS**  trans-69.9101.5176.600000110.5I103A101-I103 PolarHBondContact O-N 3.38Å
102R41.4Very low38.7Very low223 Ų223144.1 Ų144.184%0.84279%0.793SS**  trans-69.9112.3169.9-179.4176.4173.4152.5-2.2109.1A100 S104A100-R102 PolarHBondContact O-N 3.38Å; R102-S104 PolarHBondContact O-N 3.03Å; R102-S104 VanDerWaalsContact O-N 3.09Å
103I47.9Very low39.1Very low154 Ų154147.2 Ų147.279%0.7980%0.798SS**  trans-74.597.5173.2-59.7173.9000107.9A101A101-I103 PolarHBondContact O-N 3.38Å
104S38.3Very low38.8Very low77 Ų77144.3 Ų144.354%0.53880%0.795SS.*  trans-96.3121.6163.2-64.80000108R102 T106R102-S104 PolarHBondContact O-N 3.03Å; R102-S104 VanDerWaalsContact O-N 3.09Å; S104-T106 PolarHBondContact O-N 3.14Å
105Y38.4Very low39Very low216 Ų216142.8 Ų142.885%0.84780%0.797SS**  trans-77.295.8173.724.1-93.5000108.9
106T37.8Very low39.1Very low115 Ų115146.6 Ų146.671%0.70680%0.8SS**  trans-128.8111.8163.948.50000107.7S104 S108S104-T106 PolarHBondContact O-N 3.14Å; T106-S108 PolarHBondContact O-N 2.98Å
107C32.1Very low39.3Very low140 Ų140148.3 Ų148.395%0.94681%0.807SS**  trans-63102169.6-68.50000108.5
108S38.3Very low40.3Very low108 Ų108146 Ų14676%0.75580%0.803SS**  trans-142.1117161-64.60000107.5T106T106-S108 PolarHBondContact O-N 2.98Å
109S37.2Very low41.8Very low106 Ų106137.7 Ų137.774%0.74178%0.778SS**  trans-54.7159.5173.8-55.80000111.8
110D34.3Very low43.7Very low142 Ų142129.6 Ų129.676%0.75974%0.735SS**  trans81.496.6166.2-54.8-27000116.4
111D38.4Very low45.9Very low166 Ų166129.5 Ų129.589%0.88872%0.721SS**  -156124.3124.6-98.2-33.7000112.7V113D111-V113 PolarHBondContact O-N 3.04Å
112N34.8Very low47.7Very low147 Ų147126.1 Ų126.179%0.78669%0.688SS**  trans-64.2108.4-175.9-84.8-71.7000112.8
113V39.8Very low49.9Very low133 Ų133118.2 Ų118.281%0.80667%0.666SS**  trans-117.1101.5153.1-178.20000108.1D111 S115D111-V113 PolarHBondContact O-N 3.04Å; V113-S115 PolarHBondContact O-N 2.69Å
114H33.1Very low51.6Low181 Ų181115.2 Ų115.284%0.83866%0.659SS**  trans-26.191.5171-7066.9000114.4
115S42.2Very low53.7Low114 Ų114112.8 Ų112.880%0.79765%0.645SS**  trans-112.5101.3161.8-130.20000106.3V113 S117V113-S115 PolarHBondContact O-N 2.69Å; S115-S117 PolarHBondContact O-N 2.85Å; S115-S117 VanDerWaalsContact O-N 3.11Å
116R41.5Very low55.9Low231 Ų231110.3 Ų110.387%0.87265%0.647SS**  trans-34.6120.2176.1-62170.288.8170.96.1108.4S118R116-S118 PolarHBondContact O-N 2.78Å; R116-S118 PolarHBondContact O-OG 3.41Å
117S42.2Very low58Low114 Ų114106.8 Ų106.880%0.79762%0.624SS**  trans-44.194.1168.3300000107.8S115 S119S115-S117 PolarHBondContact O-N 2.85Å; S115-S117 VanDerWaalsContact O-N 3.11Å; S117-S119 VanDerWaalsContact C-N 3.32Å; S117-S119 PolarHBondContact O-N 3.47Å; S117-S119 VanDerWaalsContact O-N 3.1Å
118S58.8Low60.2Low99 Ų99102.4 Ų102.469%0.69260%0.595SS**  trans-86.393.7-177.623.70000103.7R116R116-S118 PolarHBondContact O-N 2.78Å; R116-S118 PolarHBondContact O-OG 3.41Å
119S76.3Confident62.2Low55 Ų5597.9 Ų97.939%0.38556%0.562SS.*  trans-45.6143.7164.251.60000109.1S117 L121 S124 G125S117-S119 VanDerWaalsContact C-N 3.32Å; S117-S119 PolarHBondContact O-N 3.47Å; S117-S119 VanDerWaalsContact O-N 3.1Å; S119-L121 PolarHBondContact O-N 3.02Å; S119-S124 WeakPolarHBondContact CB-O 3.44Å; S119-G125 CarbonylContact C-O 3.49Å; S119-G125 VanDerWaalsContact CA-O 3.26Å; S119-G125 WeakPolarHBondContact CA-O 3.5Å
120C81.8Confident63.8Low4 Ų496.4 Ų96.43%0.02755%0.546CS..  trans-49.1126.8179.8-178.50000110E122 C123 S124 G125 N127 C132C120-E122 PolarHBondContact O-N 3.39Å; C120-E122 PolarHBondContact SG-N 3.21Å; C120-C123 WeakPolarHBondContact CB-SG 3.37Å; C120-C123 VanDerWaalsContact SG-SG 3.62Å; C120-S124 WeakPolarHBondContact O-CA 3.34Å; C120-S124 PolarHBondContact O-N 3.04Å; C120-G125 PolarHBondContact N-O 3.45Å; C120-N127 VanDerWaalsContact CB-O 3.32Å; C120-N127 WeakPolarHBondContact CB-O 3.33Å; C120-N127 WeakPolarHBondContact CB-OD1 3.46Å; C120-C132 WeakPolarHBondContact SG-CB 3.44Å; C120-C132 PolarHBondContact SG-SG 3.22Å
121L84.2Confident65.7Low92 Ų9295.4 Ų95.448%0.48254%0.537SS..THydrogen-bonded Turntrans-64-17-179.2-64.7173.2000113.1S119 F146 H150 L152S119-L121 PolarHBondContact O-N 3.02Å; L121-F146 HydrophobicContact CB-CE1 4.08Å; L121-F146 HydrophobicContact CB-CZ 3.63Å; L121-H150 HydrophobicContact CD1-CB 4.24Å; L121-L152 HydrophobicContact CD1-CD1 4.02Å; L121-L152 HydrophobicContact CD1-CD2 3.84Å; L121-L152 HydrophobicContact CD1-CG 4.41Å
122E83.3Confident67.6Low32 Ų3287.6 Ų87.615%0.1550%0.495CS..THydrogen-bonded Turntrans-99.8-38.3-176.9-178.465.3-121.700113.6C120 L129 K134 F135 N138 F146C120-E122 PolarHBondContact O-N 3.39Å; C120-E122 PolarHBondContact SG-N 3.21Å; E122-L129 HydrophobicContact CB-CD1 3.8Å; E122-K134 HydrophobicContact CG-CB 4.07Å; E122-K134 HydrophobicContact CG-CD 3.98Å; E122-K134 HydrophobicContact CG-CG 3.88Å; E122-K134 PolarHBondContact O-NZ 3.46Å; E122-K134 WeakPolarHBondContact OE1-CE 3.31Å; E122-K134 IonicContact OE1-NZ 3.18Å; E122-K134 PolarHBondContact OE1-NZ 2.95Å; E122-F135 HydrophobicContact CB-CB 4.36Å; E122-F135 HydrophobicContact CG-CB 4.17Å; E122-N138 PolarHBondContact OE2-ND2 3.39Å; E122-F146 HydrophobicContact CB-CE2 4.07Å; E122-F146 HydrophobicContact CB-CZ 3.96Å; E122-F146 WeakPolarHBondContact OE2-CD2 2.97Å; E122-F146 WeakPolarHBondContact OE2-CE2 3.23Å
123C86.6Confident69.9Low56 Ų5686 Ų8638%0.37848%0.483SS..THydrogen-bonded Turntrans-120.1-2.5-177.569.60000114.7C120 G125 N127 K134C120-C123 WeakPolarHBondContact CB-SG 3.37Å; C120-C123 VanDerWaalsContact SG-SG 3.62Å; C123-G125 PolarHBondContact O-N 3.17Å; C123-G125 VanDerWaalsContact O-N 3.09Å; C123-N127 PolarHBondContact SG-OD1 2.93Å; C123-K134 HydrophobicContact CB-CD 4.46Å
124S83.5Confident72.1Confident92 Ų9284.9 Ų84.964%0.64347%0.467SS*.  trans57.316.8-175.6-52.90000115.2S119 C120S119-S124 WeakPolarHBondContact CB-O 3.44Å; C120-S124 WeakPolarHBondContact O-CA 3.34Å; C120-S124 PolarHBondContact O-N 3.04Å
125G83.9Confident74.3Confident25 Ų2576.9 Ų76.926%0.25843%0.43SS..SBendtrans-84.2172.2175.600000113.9S119 C120 C123 N127S119-G125 CarbonylContact C-O 3.49Å; S119-G125 VanDerWaalsContact CA-O 3.26Å; S119-G125 WeakPolarHBondContact CA-O 3.5Å; C120-G125 PolarHBondContact N-O 3.45Å; C123-G125 PolarHBondContact O-N 3.17Å; C123-G125 VanDerWaalsContact O-N 3.09Å; G125-N127 PolarHBondContact O-N 2.94Å
126D84.4Confident76Confident164 Ų16476.2 Ų76.288%0.87741%0.412SS*.SBendtrans-81.733.8-178.1-66.9-34.6000113.9
127N81Confident77.9Confident41 Ų4170.4 Ų70.422%0.21940%0.399CS..SBendtrans-120.5151.6178.461.4-29.9000111.4C120 C123 G125 Q131 C132C120-N127 VanDerWaalsContact CB-O 3.32Å; C120-N127 WeakPolarHBondContact CB-O 3.33Å; C120-N127 WeakPolarHBondContact CB-OD1 3.46Å; C123-N127 PolarHBondContact SG-OD1 2.93Å; G125-N127 PolarHBondContact O-N 2.94Å; N127-Q131 HydrophobicContact CB-CB 4.25Å; N127-Q131 PolarHBondContact ND2-O 3.03Å; N127-Q131 VanDerWaalsContact ND2-O 3.16Å; N127-C132 VanDerWaalsContact ND2-CA 3.27Å; N127-C132 WeakPolarHBondContact ND2-CA 3.42Å
128S78.4Confident79.4Confident48 Ų4866.6 Ų66.634%0.33637%0.369SS..  trans-69.4155.8171.861.20000110.7D130 Q131 C132S128-D130 WeakPolarHBondContact CB-OD1 3.48Å; S128-D130 PolarHBondContact O-N 3.47Å; S128-D130 VanDerWaalsContact OG-CG 3.25Å; S128-D130 PolarHBondContact OG-OD1 3.43Å; S128-D130 PolarHBondContact OG-OD2 3.3Å; S128-Q131 CarbonylContact O-C 3.57Å; S128-Q131 WeakPolarHBondContact O-CA 3.49Å; S128-Q131 PolarHBondContact O-N 3.34Å; S128-Q131 WeakPolarHBondContact OG-CG 3.35Å; S128-C132 PolarHBondContact O-N 3.16Å
129L79.7Confident80Confident14 Ų1465.5 Ų65.57%0.07336%0.356CS..G310 helixtrans-60.4-32.1-177.4-167.271.2000112.6E122 Q131 C132 F135 F146 L152 L157E122-L129 HydrophobicContact CB-CD1 3.8Å; L129-Q131 PolarHBondContact O-N 3.1Å; L129-C132 HydrophobicContact CD1-CB 4.49Å; L129-C132 WeakPolarHBondContact O-CB 3.5Å; L129-C132 PolarHBondContact O-N 3.46Å; L129-F135 HydrophobicContact CD1-CB 3.96Å; L129-F135 HydrophobicContact CD1-CD1 4.45Å; L129-F135 HydrophobicContact CD1-CD2 3.93Å; L129-F135 HydrophobicContact CD1-CG 3.86Å; L129-F135 HydrophobicContact CD2-CD2 4.2Å; L129-F135 HydrophobicContact CD2-CE1 4.35Å; L129-F135 HydrophobicContact CD2-CE2 4.04Å; L129-F135 HydrophobicContact CD2-CG 4.44Å; L129-F135 HydrophobicContact CD2-CZ 4.12Å; L129-F135 HydrophobicContact CG-CB 4.38Å; L129-F135 HydrophobicContact CG-CD1 3.97Å; L129-F135 HydrophobicContact CG-CD2 4.07Å; L129-F135 HydrophobicContact CG-CE1 4.26Å; L129-F135 HydrophobicContact CG-CE2 4.36Å; L129-F135 HydrophobicContact CG-CG 3.87Å; L129-F135 HydrophobicContact CG-CZ 4.45Å; L129-F146 HydrophobicContact CD1-CE1 3.79Å; L129-F146 HydrophobicContact CD1-CZ 4.13Å; L129-F146 HydrophobicContact CD2-CD1 4.02Å; L129-F146 HydrophobicContact CD2-CE1 3.59Å; L129-F146 HydrophobicContact CG-CE1 4.37Å; L129-L152 HydrophobicContact CD2-CD1 3.42Å; L129-L152 VanDerWaalsContact CD2-CD1 3.42Å; L129-L157 HydrophobicContact CD2-CB 4.27Å; L129-L157 HydrophobicContact CD2-CD1 4.35Å; L129-L157 HydrophobicContact CG-CD1 4.47Å
130D71.1Confident79.5Confident74 Ų7466.3 Ų66.340%0.39636%0.358SS..G310 helixtrans-66.3-19.6173.760.6-68.1000113.5S128 K136 L157S128-D130 WeakPolarHBondContact CB-OD1 3.48Å; S128-D130 PolarHBondContact O-N 3.47Å; S128-D130 VanDerWaalsContact OG-CG 3.25Å; S128-D130 PolarHBondContact OG-OD1 3.43Å; S128-D130 PolarHBondContact OG-OD2 3.3Å; D130-K136 WeakPolarHBondContact O-CE 3.3Å; D130-K136 PolarHBondContact O-NZ 3.16Å; D130-L157 HydrophobicContact CB-CD1 4.22Å
131Q74.3Confident79Confident122 Ų12270.4 Ų70.457%0.5738%0.383SS*.G310 helixtrans-103.22.2175.7-62.1178.620.600112.8N127 S128 L129 Q133N127-Q131 HydrophobicContact CB-CB 4.25Å; N127-Q131 PolarHBondContact ND2-O 3.03Å; N127-Q131 VanDerWaalsContact ND2-O 3.16Å; S128-Q131 CarbonylContact O-C 3.57Å; S128-Q131 WeakPolarHBondContact O-CA 3.49Å; S128-Q131 PolarHBondContact O-N 3.34Å; S128-Q131 WeakPolarHBondContact OG-CG 3.35Å; L129-Q131 PolarHBondContact O-N 3.1Å; Q131-Q133 PolarHBondContact O-N 2.91Å
132C79.7Confident78.6Confident1 Ų170 Ų701%0.00738%0.379CS..  trans-81.1116.7-178.7-177.90000112.3C120 N127 S128 L129 F135 K136C120-C132 WeakPolarHBondContact SG-CB 3.44Å; C120-C132 PolarHBondContact SG-SG 3.22Å; N127-C132 VanDerWaalsContact ND2-CA 3.27Å; N127-C132 WeakPolarHBondContact ND2-CA 3.42Å; S128-C132 PolarHBondContact O-N 3.16Å; L129-C132 HydrophobicContact CD1-CB 4.49Å; L129-C132 WeakPolarHBondContact O-CB 3.5Å; L129-C132 PolarHBondContact O-N 3.46Å; C132-F135 HydrophobicContact CB-CB 3.87Å; C132-F135 PolarHBondContact O-N 3.19Å; C132-K136 WeakPolarHBondContact O-CG 3.46Å; C132-K136 PolarHBondContact O-N 3.4Å
133Q82.7Confident78.4Confident115 Ų11571.3 Ų71.354%0.53738%0.383SS..Hα-helixtrans-62.1-45.4178.4-168.158.640.600111.5Q131 F135 K136 D137Q131-Q133 PolarHBondContact O-N 2.91Å; Q133-F135 VanDerWaalsContact C-N 3.28Å; Q133-F135 PolarHBondContact O-N 2.96Å; Q133-K136 CarbonylContact O-C 3.6Å; Q133-K136 WeakPolarHBondContact O-CA 3.44Å; Q133-K136 WeakPolarHBondContact O-CB 3.45Å; Q133-K136 PolarHBondContact O-N 2.74Å; Q133-D137 PolarHBondContact NE2-OD1 3.48Å; Q133-D137 PolarHBondContact O-N 2.97Å
134K84.9Confident77.8Confident108 Ų10875.6 Ų75.647%0.4740%0.395SS..Hα-helixtrans-56.5-40.5176.7-171.5177.8169.3-151.70112.6E122 C123 D137 N138E122-K134 HydrophobicContact CG-CB 4.07Å; E122-K134 HydrophobicContact CG-CD 3.98Å; E122-K134 HydrophobicContact CG-CG 3.88Å; E122-K134 PolarHBondContact O-NZ 3.46Å; E122-K134 WeakPolarHBondContact OE1-CE 3.31Å; E122-K134 IonicContact OE1-NZ 3.18Å; E122-K134 PolarHBondContact OE1-NZ 2.95Å; C123-K134 HydrophobicContact CB-CD 4.46Å; K134-D137 PolarHBondContact O-N 3.09Å; K134-N138 PolarHBondContact O-N 3.43Å; K134-N138 PolarHBondContact O-OD1 3.28Å
135F80.7Confident77.7Confident14 Ų1476.1 Ų76.16%0.06139%0.387CS..Hα-helixtrans-68.6-34.3174.3-177.6-105000112.6E122 L129 C132 Q133 D137 R143 F146 V147 L157E122-F135 HydrophobicContact CB-CB 4.36Å; E122-F135 HydrophobicContact CG-CB 4.17Å; L129-F135 HydrophobicContact CD1-CB 3.96Å; L129-F135 HydrophobicContact CD1-CD1 4.45Å; L129-F135 HydrophobicContact CD1-CD2 3.93Å; L129-F135 HydrophobicContact CD1-CG 3.86Å; L129-F135 HydrophobicContact CD2-CD2 4.2Å; L129-F135 HydrophobicContact CD2-CE1 4.35Å; L129-F135 HydrophobicContact CD2-CE2 4.04Å; L129-F135 HydrophobicContact CD2-CG 4.44Å; L129-F135 HydrophobicContact CD2-CZ 4.12Å; L129-F135 HydrophobicContact CG-CB 4.38Å; L129-F135 HydrophobicContact CG-CD1 3.97Å; L129-F135 HydrophobicContact CG-CD2 4.07Å; L129-F135 HydrophobicContact CG-CE1 4.26Å; L129-F135 HydrophobicContact CG-CE2 4.36Å; L129-F135 HydrophobicContact CG-CG 3.87Å; L129-F135 HydrophobicContact CG-CZ 4.45Å; C132-F135 HydrophobicContact CB-CB 3.87Å; C132-F135 PolarHBondContact O-N 3.19Å; Q133-F135 VanDerWaalsContact C-N 3.28Å; Q133-F135 PolarHBondContact O-N 2.96Å; F135-D137 VanDerWaalsContact C-N 3.32Å; F135-R143 HydrophobicContact CD2-CG 4.33Å; F135-R143 HydrophobicContact CE1-CG 4.43Å; F135-R143 HydrophobicContact CE2-CB 4.02Å; F135-R143 HydrophobicContact CE2-CG 3.94Å; F135-R143 HydrophobicContact CZ-CB 3.98Å; F135-R143 HydrophobicContact CZ-CG 4Å; F135-R143 WeakPolarHBondContact O-CD 3.44Å; F135-R143 WeakPolarHBondContact O-CG 3.25Å; F135-R143 PolarHBondContact O-NE 3.11Å; F135-F146 HydrophobicContact CD2-CD1 4.07Å; F135-F146 HydrophobicContact CD2-CE1 4.49Å; F135-F146 HydrophobicContact CD2-CG 4.34Å; F135-F146 HydrophobicContact CE2-CB 4.18Å; F135-F146 AromaticContact CE2-CD1 3.73Å; F135-F146 HydrophobicContact CE2-CD1 3.73Å; F135-F146 HydrophobicContact CE2-CE1 4.46Å; F135-F146 HydrophobicContact CE2-CG 4.11Å; F135-V147 HydrophobicContact CE2-CG2 4.45Å; F135-V147 HydrophobicContact CZ-CG2 4.08Å; F135-L157 HydrophobicContact CE1-CD1 3.8Å; F135-L157 HydrophobicContact CZ-CD1 4.39Å; F135-L157 HydrophobicContact CZ-CD2 4.43Å
136K76.5Confident77.6Confident99 Ų9975.4 Ų75.443%0.4338%0.377SS..Hα-helixtrans-74.3-17.7174.2-70.9177.6-176.9178.60113.8D130 C132 Q133 R143D130-K136 WeakPolarHBondContact O-CE 3.3Å; D130-K136 PolarHBondContact O-NZ 3.16Å; C132-K136 WeakPolarHBondContact O-CG 3.46Å; C132-K136 PolarHBondContact O-N 3.4Å; Q133-K136 CarbonylContact O-C 3.6Å; Q133-K136 WeakPolarHBondContact O-CA 3.44Å; Q133-K136 WeakPolarHBondContact O-CB 3.45Å; Q133-K136 PolarHBondContact O-N 2.74Å; K136-R143 VanDerWaalsContact O-CZ 3.3Å; K136-R143 PolarHBondContact O-NH2 2.81Å
137D82.8Confident77.5Confident110 Ų11068 Ų6859%0.58834%0.338SS*.Hα-helixtrans-88.9-27.5176.8-62-22.5000111.7Q133 K134 F135Q133-D137 PolarHBondContact NE2-OD1 3.48Å; Q133-D137 PolarHBondContact O-N 2.97Å; K134-D137 PolarHBondContact O-N 3.09Å; F135-D137 VanDerWaalsContact C-N 3.32Å
138N73.2Confident77.6Confident33 Ų3370.7 Ų70.718%0.17636%0.355CS..SBendtrans-55.3145.4174.2-74-10.5000111.9E122 K134 E142 R143E122-N138 PolarHBondContact OE2-ND2 3.39Å; K134-N138 PolarHBondContact O-N 3.43Å; K134-N138 PolarHBondContact O-OD1 3.28Å; N138-E142 WeakPolarHBondContact CA-OE2 3.36Å; N138-E142 HydrophobicContact CB-CB 3.91Å; N138-R143 HydrophobicContact CB-CG 3.88Å; N138-R143 VanDerWaalsContact O-CZ 3.23Å; N138-R143 PolarHBondContact O-NE 3.32Å; N138-R143 PolarHBondContact O-NH2 2.98Å
139N70.6Confident78.1Confident77 Ų7776.3 Ų76.341%0.41237%0.369SS..  trans-70.6169.6175.471.655.6000111.7T141 E142 R143N139-T141 VanDerWaalsContact C-N 3.26Å; N139-T141 PolarHBondContact O-N 3.31Å; N139-T141 WeakPolarHBondContact OD1-CA 3.36Å; N139-T141 VanDerWaalsContact OD1-CB 3.3Å; N139-T141 WeakPolarHBondContact OD1-CB 3.31Å; N139-T141 PolarHBondContact OD1-N 2.92Å; N139-E142 VanDerWaalsContact CG-CD 3.48Å; N139-E142 PolarHBondContact N-OE2 3.26Å; N139-E142 PolarHBondContact ND2-OE1 3.29Å; N139-E142 PolarHBondContact ND2-OE2 3.21Å; N139-E142 VanDerWaalsContact ND2-OE2 3.15Å; N139-E142 PolarHBondContact O-N 2.98Å; N139-E142 PolarHBondContact OD1-N 3.44Å; N139-R143 WeakPolarHBondContact O-CG 3.28Å; N139-R143 PolarHBondContact O-N 3.05Å
140V65.9Low78.4Confident72 Ų7278.8 Ų78.844%0.43638%0.38SS..Hα-helixtrans-59.6-38.3-175.1-172.90000112.6K144 R211V140-K144 WeakPolarHBondContact O-CB 3.45Å; V140-K144 PolarHBondContact O-N 3.49Å; V140-K144 VanDerWaalsContact O-N 3.11Å; V140-R211 VanDerWaalsContact CG1-NH2 3.28Å
141T71.3Confident79.2Confident90 Ų9083.7 Ų83.755%0.55240%0.398SS*.Hα-helixtrans-66.8-48.6179.9-54.20000109.9N139 R143 K144 E145N139-T141 VanDerWaalsContact C-N 3.26Å; N139-T141 PolarHBondContact O-N 3.31Å; N139-T141 WeakPolarHBondContact OD1-CA 3.36Å; N139-T141 VanDerWaalsContact OD1-CB 3.3Å; N139-T141 WeakPolarHBondContact OD1-CB 3.31Å; N139-T141 PolarHBondContact OD1-N 2.92Å; T141-R143 PolarHBondContact O-N 3.01Å; T141-K144 PolarHBondContact O-N 2.93Å; T141-E145 WeakPolarHBondContact O-CG 3.42Å; T141-E145 PolarHBondContact O-N 2.85Å
142E76.9Confident79.5Confident84 Ų8478.5 Ų78.539%0.39337%0.374SS..Hα-helixtrans-59.6-45.1177.2-72.716517600112.2N138 N139 K144 E145 F146N138-E142 WeakPolarHBondContact CA-OE2 3.36Å; N138-E142 HydrophobicContact CB-CB 3.91Å; N139-E142 VanDerWaalsContact CG-CD 3.48Å; N139-E142 PolarHBondContact N-OE2 3.26Å; N139-E142 PolarHBondContact ND2-OE1 3.29Å; N139-E142 PolarHBondContact ND2-OE2 3.21Å; N139-E142 VanDerWaalsContact ND2-OE2 3.15Å; N139-E142 PolarHBondContact O-N 2.98Å; N139-E142 PolarHBondContact OD1-N 3.44Å; E142-K144 VanDerWaalsContact C-N 3.32Å; E142-K144 PolarHBondContact O-N 3.29Å; E142-E145 PolarHBondContact O-N 3.4Å; E142-F146 VanDerWaalsContact O-CB 3.31Å; E142-F146 WeakPolarHBondContact O-CB 3.23Å; E142-F146 PolarHBondContact O-N 2.96Å
143R77.7Confident79.4Confident59 Ų5978.5 Ų78.522%0.22337%0.374CS..Hα-helixtrans-61.6-41.1176.4-69.1-173.5-145.2179.17.9112.1F135 K136 N138 N139 T141 F146 V147F135-R143 HydrophobicContact CD2-CG 4.33Å; F135-R143 HydrophobicContact CE1-CG 4.43Å; F135-R143 HydrophobicContact CE2-CB 4.02Å; F135-R143 HydrophobicContact CE2-CG 3.94Å; F135-R143 HydrophobicContact CZ-CB 3.98Å; F135-R143 HydrophobicContact CZ-CG 4Å; F135-R143 WeakPolarHBondContact O-CD 3.44Å; F135-R143 WeakPolarHBondContact O-CG 3.25Å; F135-R143 PolarHBondContact O-NE 3.11Å; K136-R143 VanDerWaalsContact O-CZ 3.3Å; K136-R143 PolarHBondContact O-NH2 2.81Å; N138-R143 HydrophobicContact CB-CG 3.88Å; N138-R143 VanDerWaalsContact O-CZ 3.23Å; N138-R143 PolarHBondContact O-NE 3.32Å; N138-R143 PolarHBondContact O-NH2 2.98Å; N139-R143 WeakPolarHBondContact O-CG 3.28Å; N139-R143 PolarHBondContact O-N 3.05Å; T141-R143 PolarHBondContact O-N 3.01Å; R143-F146 PolarHBondContact O-N 3.45Å; R143-V147 VanDerWaalsContact O-CG2 3.32Å; R143-V147 WeakPolarHBondContact O-CG2 3.12Å; R143-V147 PolarHBondContact O-N 3Å
144K75.2Confident78.9Confident146 Ų14676.8 Ų76.864%0.63537%0.369SS*.Hα-helixtrans-65.7-46.2178.7-174.7-178.1178.1-173.30110.9V140 T141 E142 F146 V147 V148V140-K144 WeakPolarHBondContact O-CB 3.45Å; V140-K144 PolarHBondContact O-N 3.49Å; V140-K144 VanDerWaalsContact O-N 3.11Å; T141-K144 PolarHBondContact O-N 2.93Å; E142-K144 VanDerWaalsContact C-N 3.32Å; E142-K144 PolarHBondContact O-N 3.29Å; K144-F146 VanDerWaalsContact C-N 3.3Å; K144-F146 PolarHBondContact O-N 3.33Å; K144-V147 PolarHBondContact O-N 2.96Å; K144-V148 WeakPolarHBondContact O-CB 3.46Å; K144-V148 VanDerWaalsContact O-CG2 3.27Å; K144-V148 WeakPolarHBondContact O-CG2 3.41Å; K144-V148 PolarHBondContact O-N 3.43Å
145E81.7Confident78.2Confident102 Ų10272.3 Ų72.348%0.47735%0.35SS..Hα-helixtrans-60.6-41.6175.5-73.6-178.2-173.300111.5T141 E142 V148 R149T141-E145 WeakPolarHBondContact O-CG 3.42Å; T141-E145 PolarHBondContact O-N 2.85Å; E142-E145 PolarHBondContact O-N 3.4Å; E145-V148 PolarHBondContact O-N 3.15Å; E145-R149 WeakPolarHBondContact O-CB 3.45Å; E145-R149 PolarHBondContact O-N 3.42Å; E145-R149 IonicContact OE2-NH2 2.77Å
146F81.7Confident78Confident11 Ų1171.9 Ų71.95%0.04835%0.349CS..Hα-helixtrans-60.2-48.9176.9-172.9-84.6000112.2L121 E122 L129 F135 E142 R143 K144 V148 R149 H150 L152L121-F146 HydrophobicContact CB-CE1 4.08Å; L121-F146 HydrophobicContact CB-CZ 3.63Å; E122-F146 HydrophobicContact CB-CE2 4.07Å; E122-F146 HydrophobicContact CB-CZ 3.96Å; E122-F146 WeakPolarHBondContact OE2-CD2 2.97Å; E122-F146 WeakPolarHBondContact OE2-CE2 3.23Å; L129-F146 HydrophobicContact CD1-CE1 3.79Å; L129-F146 HydrophobicContact CD1-CZ 4.13Å; L129-F146 HydrophobicContact CD2-CD1 4.02Å; L129-F146 HydrophobicContact CD2-CE1 3.59Å; L129-F146 HydrophobicContact CG-CE1 4.37Å; F135-F146 HydrophobicContact CD2-CD1 4.07Å; F135-F146 HydrophobicContact CD2-CE1 4.49Å; F135-F146 HydrophobicContact CD2-CG 4.34Å; F135-F146 HydrophobicContact CE2-CB 4.18Å; F135-F146 AromaticContact CE2-CD1 3.73Å; F135-F146 HydrophobicContact CE2-CD1 3.73Å; F135-F146 HydrophobicContact CE2-CE1 4.46Å; F135-F146 HydrophobicContact CE2-CG 4.11Å; E142-F146 VanDerWaalsContact O-CB 3.31Å; E142-F146 WeakPolarHBondContact O-CB 3.23Å; E142-F146 PolarHBondContact O-N 2.96Å; R143-F146 PolarHBondContact O-N 3.45Å; K144-F146 VanDerWaalsContact C-N 3.3Å; K144-F146 PolarHBondContact O-N 3.33Å; F146-V148 VanDerWaalsContact C-N 3.34Å; F146-V148 PolarHBondContact O-N 3.29Å; F146-R149 PolarHBondContact O-N 3Å; F146-H150 AromaticContact CD1-ND1 3.69Å; F146-H150 AromaticContact CD2-CE1 3.57Å; F146-H150 AromaticContact CD2-ND1 3.68Å; F146-H150 AromaticContact CE1-ND1 3.57Å; F146-H150 AromaticContact CE2-CE1 3.22Å; F146-H150 WeakPolarHBondContact CE2-CE1 3.35Å; F146-H150 AromaticContact CE2-ND1 3.57Å; F146-H150 AromaticContact CG-ND1 3.74Å; F146-H150 AromaticContact CZ-CE1 3.47Å; F146-H150 VanDerWaalsContact CZ-CE1 3.47Å; F146-H150 WeakPolarHBondContact CZ-CE1 3.5Å; F146-H150 AromaticContact CZ-ND1 3.51Å; F146-H150 WeakPolarHBondContact O-CB 2.89Å; F146-H150 PolarHBondContact O-N 3.48Å; F146-H150 PolarHBondContact O-ND1 3.22Å; F146-L152 HydrophobicContact CD1-CD1 4.35Å; F146-L152 HydrophobicContact CE1-CD1 4.06Å
147V81.8Confident78.2Confident8 Ų868.2 Ų68.25%0.04833%0.334CS..Hα-helixtrans-62.6-41.4179.2168.10000111.4F135 R143 K144 K151 L152 N154 L157F135-V147 HydrophobicContact CE2-CG2 4.45Å; F135-V147 HydrophobicContact CZ-CG2 4.08Å; R143-V147 VanDerWaalsContact O-CG2 3.32Å; R143-V147 WeakPolarHBondContact O-CG2 3.12Å; R143-V147 PolarHBondContact O-N 3Å; K144-V147 PolarHBondContact O-N 2.96Å; V147-K151 PolarHBondContact O-N 3.27Å; V147-K151 VanDerWaalsContact O-N 3.09Å; V147-L152 HydrophobicContact CG1-CB 4.08Å; V147-L152 WeakPolarHBondContact CG1-O 3.45Å; V147-L152 PolarHBondContact O-N 2.9Å; V147-N154 WeakPolarHBondContact CG1-OD1 3.5Å; V147-L157 HydrophobicContact CG2-CD2 3.74Å
148V83.4Confident78.1Confident97 Ų9769.4 Ų69.459%0.58833%0.334SS*.Hα-helixtrans-66.4-47.4176.2171.40000111.1K144 E145 F146 H150 K151K144-V148 WeakPolarHBondContact O-CB 3.46Å; K144-V148 VanDerWaalsContact O-CG2 3.27Å; K144-V148 WeakPolarHBondContact O-CG2 3.41Å; K144-V148 PolarHBondContact O-N 3.43Å; E145-V148 PolarHBondContact O-N 3.15Å; F146-V148 VanDerWaalsContact C-N 3.34Å; F146-V148 PolarHBondContact O-N 3.29Å; V148-H150 VanDerWaalsContact C-N 3.31Å; V148-H150 PolarHBondContact O-N 3.1Å; V148-K151 PolarHBondContact O-N 3.25Å
149R88.7Confident78.6Confident167 Ų16770 Ų7063%0.6334%0.344SS*.Hα-helixtrans-59.4-40.5-179.4-171.7-176.1-58154.34.3111.9E145 F146E145-R149 WeakPolarHBondContact O-CB 3.45Å; E145-R149 PolarHBondContact O-N 3.42Å; E145-R149 IonicContact OE2-NH2 2.77Å; F146-R149 PolarHBondContact O-N 3Å
150H86.1Confident79Confident66 Ų6674.2 Ų74.231%0.30637%0.366SS..THydrogen-bonded Turntrans-93.76.7-179.6-6392.4000114.1L121 F146 V148 L152L121-H150 HydrophobicContact CD1-CB 4.24Å; F146-H150 AromaticContact CD1-ND1 3.69Å; F146-H150 AromaticContact CD2-CE1 3.57Å; F146-H150 AromaticContact CD2-ND1 3.68Å; F146-H150 AromaticContact CE1-ND1 3.57Å; F146-H150 AromaticContact CE2-CE1 3.22Å; F146-H150 WeakPolarHBondContact CE2-CE1 3.35Å; F146-H150 AromaticContact CE2-ND1 3.57Å; F146-H150 AromaticContact CG-ND1 3.74Å; F146-H150 AromaticContact CZ-CE1 3.47Å; F146-H150 VanDerWaalsContact CZ-CE1 3.47Å; F146-H150 WeakPolarHBondContact CZ-CE1 3.5Å; F146-H150 AromaticContact CZ-ND1 3.51Å; F146-H150 WeakPolarHBondContact O-CB 2.89Å; F146-H150 PolarHBondContact O-N 3.48Å; F146-H150 PolarHBondContact O-ND1 3.22Å; V148-H150 VanDerWaalsContact C-N 3.31Å; V148-H150 PolarHBondContact O-N 3.1Å; H150-L152 HydrophobicContact CB-CD1 4.04Å; H150-L152 HydrophobicContact CB-CD2 4.31Å; H150-L152 HydrophobicContact CB-CG 3.8Å; H150-L152 PolarHBondContact O-N 3.35Å
151K86.8Confident79.9Confident177 Ų17773 Ų7377%0.7736%0.355SS*.THydrogen-bonded Turntrans51.741.2179.4-57.8179.9-179.3177.60113.1V147 V148V147-K151 PolarHBondContact O-N 3.27Å; V147-K151 VanDerWaalsContact O-N 3.09Å; V148-K151 PolarHBondContact O-N 3.25Å
152L81.8Confident80.2Confident13 Ų1373 Ų737%0.06836%0.355CS..BIsolated β-bridgetrans-85.7150179.9-55.3175.8000110.3L121 L129 F146 V147 H150 N154 A159L121-L152 HydrophobicContact CD1-CD1 4.02Å; L121-L152 HydrophobicContact CD1-CD2 3.84Å; L121-L152 HydrophobicContact CD1-CG 4.41Å; L129-L152 HydrophobicContact CD2-CD1 3.42Å; L129-L152 VanDerWaalsContact CD2-CD1 3.42Å; F146-L152 HydrophobicContact CD1-CD1 4.35Å; F146-L152 HydrophobicContact CE1-CD1 4.06Å; V147-L152 HydrophobicContact CG1-CB 4.08Å; V147-L152 WeakPolarHBondContact CG1-O 3.45Å; V147-L152 PolarHBondContact O-N 2.9Å; H150-L152 HydrophobicContact CB-CD1 4.04Å; H150-L152 HydrophobicContact CB-CD2 4.31Å; H150-L152 HydrophobicContact CB-CG 3.8Å; H150-L152 PolarHBondContact O-N 3.35Å; L152-N154 PolarHBondContact O-N 3.12Å; L152-A159 HydrophobicContact CD2-CB 4.11Å
153C75.8Confident79.9Confident0 Ų071.3 Ų71.30%036%0.356CS..  trans-64125.2171.9-178.40000109.6V155 L157 K158 H161C153-V155 PolarHBondContact O-N 3.31Å; C153-V155 PolarHBondContact SG-N 2.77Å; C153-L157 VanDerWaalsContact O-CA 3.28Å; C153-L157 WeakPolarHBondContact O-CA 3.37Å; C153-L157 PolarHBondContact O-N 2.82Å; C153-K158 WeakPolarHBondContact CB-O 3.48Å; C153-K158 PolarHBondContact N-O 3.12Å; C153-H161 WeakPolarHBondContact CA-O 3.32Å; C153-H161 WeakPolarHBondContact CB-NE2 3.35Å; C153-H161 WeakPolarHBondContact CB-O 3.32Å; C153-H161 PolarHBondContact SG-CD2 2.75Å; C153-H161 PolarHBondContact SG-NE2 2.74Å
154N73.7Confident79.7Confident80 Ų8077.7 Ų77.743%0.42839%0.385SS..THydrogen-bonded Turntrans-63.64.1173.2-71.3-39.3000114.1V147 L152 S173V147-N154 WeakPolarHBondContact CG1-OD1 3.5Å; L152-N154 PolarHBondContact O-N 3.12Å; N154-S173 WeakPolarHBondContact O-CB 3.46Å; N154-S173 PolarHBondContact O-OG 3.49Å
155V69.3Low79.7Confident13 Ų1375.8 Ų75.88%0.07938%0.382CS..THydrogen-bonded Turntrans-107-73.9174.1-1770000108.8C153 A163 C166 S171 S173 D176C153-V155 PolarHBondContact O-N 3.31Å; C153-V155 PolarHBondContact SG-N 2.77Å; V155-A163 HydrophobicContact CG2-CB 3.44Å; V155-A163 VanDerWaalsContact CG2-CB 3.44Å; V155-C166 HydrophobicContact CB-CB 4.15Å; V155-C166 HydrophobicContact CG1-CB 4.49Å; V155-C166 HydrophobicContact CG2-CB 4.21Å; V155-S171 CarbonylContact C-O 3.52Å; V155-S173 VanDerWaalsContact C-OG 3.32Å; V155-S173 WeakPolarHBondContact CA-OG 3.49Å; V155-S173 PolarHBondContact N-OG 3.42Å; V155-S173 WeakPolarHBondContact O-CB 3.38Å; V155-S173 PolarHBondContact O-OG 3.22Å; V155-D176 VanDerWaalsContact CG1-OD2 3.3Å; V155-D176 WeakPolarHBondContact CG1-OD2 3.43Å; V155-D176 WeakPolarHBondContact CG2-OD2 3.39Å
156C77.3Confident79.4Confident6 Ų672.4 Ų72.44%0.04137%0.369CS..THydrogen-bonded Turntrans-96.47.5-171.374.90000115K158 H161 C166 S168 S171C156-K158 PolarHBondContact O-N 2.83Å; C156-H161 PolarHBondContact SG-CE1 3.38Å; C156-H161 PolarHBondContact SG-NE2 2.82Å; C156-C166 VanDerWaalsContact SG-SG 3.68Å; C156-S168 VanDerWaalsContact CB-OG 3.23Å; C156-S168 WeakPolarHBondContact CB-OG 3.48Å; C156-S168 PolarHBondContact SG-OG 2.71Å; C156-S171 WeakPolarHBondContact CA-OG 3.24Å; C156-S171 WeakPolarHBondContact CB-OG 3.47Å
157L79.6Confident79.3Confident22 Ų2283.4 Ų83.412%0.11541%0.41CS..  trans55.718.4-179.2-55178.7000115.1L129 D130 F135 V147 C153L129-L157 HydrophobicContact CD2-CB 4.27Å; L129-L157 HydrophobicContact CD2-CD1 4.35Å; L129-L157 HydrophobicContact CG-CD1 4.47Å; D130-L157 HydrophobicContact CB-CD1 4.22Å; F135-L157 HydrophobicContact CE1-CD1 3.8Å; F135-L157 HydrophobicContact CZ-CD1 4.39Å; F135-L157 HydrophobicContact CZ-CD2 4.43Å; V147-L157 HydrophobicContact CG2-CD2 3.74Å; C153-L157 VanDerWaalsContact O-CA 3.28Å; C153-L157 WeakPolarHBondContact O-CA 3.37Å; C153-L157 PolarHBondContact O-N 2.82Å
158K80.7Confident78.6Confident134 Ų13484.5 Ų84.558%0.58342%0.418SS*.  trans-96.8149.2174.6-61.5176.6-178-178.30110.2C153 C156C153-K158 WeakPolarHBondContact CB-O 3.48Å; C153-K158 PolarHBondContact N-O 3.12Å; C156-K158 PolarHBondContact O-N 2.83Å
159A84.2Confident77.2Confident47 Ų4785.8 Ų85.839%0.38843%0.429SS..BIsolated β-bridgetrans-68.9174.4178.200000112.9L152 H161L152-A159 HydrophobicContact CD2-CB 4.11Å; A159-H161 VanDerWaalsContact C-N 3.33Å; A159-H161 PolarHBondContact O-N 3.13Å; A159-H161 PolarHBondContact O-ND1 3.26Å; A159-H161 VanDerWaalsContact O-ND1 3.12Å
160N79.4Confident75.2Confident165 Ų16580.1 Ų80.188%0.88242%0.422SS*.SBendtrans71.411.8167.3-55.2-33.1000117.1
161H84.1Confident73Confident46 Ų4679.4 Ų79.421%0.21342%0.424CS..  trans-156.7158.5170.365.6-74.8000112.2C153 C156 A159 N165 C166C153-H161 WeakPolarHBondContact CA-O 3.32Å; C153-H161 WeakPolarHBondContact CB-NE2 3.35Å; C153-H161 WeakPolarHBondContact CB-O 3.32Å; C153-H161 PolarHBondContact SG-CD2 2.75Å; C153-H161 PolarHBondContact SG-NE2 2.74Å; C156-H161 PolarHBondContact SG-CE1 3.38Å; C156-H161 PolarHBondContact SG-NE2 2.82Å; A159-H161 VanDerWaalsContact C-N 3.33Å; A159-H161 PolarHBondContact O-N 3.13Å; A159-H161 PolarHBondContact O-ND1 3.26Å; A159-H161 VanDerWaalsContact O-ND1 3.12Å; H161-N165 HydrophobicContact CB-CB 4.42Å; H161-C166 WeakPolarHBondContact CD2-CA 3.33Å; H161-C166 PolarHBondContact NE2-SG 3.33Å
162V78.7Confident70.5Confident91 Ų9177 Ų7755%0.55241%0.414SS*.  trans-96.2163.5170.9-64.30000110.3K164 N165 C166V162-K164 HydrophobicContact CG2-CB 4.09Å; V162-K164 PolarHBondContact O-N 2.96Å; V162-N165 CarbonylContact O-C 3.4Å; V162-N165 PolarHBondContact O-N 2.88Å; V162-C166 PolarHBondContact O-N 2.92Å
163A70.1Confident68.3Low48 Ų4877 Ų7740%0.39742%0.416SS..G310 helixtrans-48.8-38.817900000113.7V155 N165 C166V155-A163 HydrophobicContact CG2-CB 3.44Å; V155-A163 VanDerWaalsContact CG2-CB 3.44Å; A163-N165 PolarHBondContact O-N 3.41Å; A163-C166 WeakPolarHBondContact O-CB 3.38Å; A163-C166 PolarHBondContact O-N 3.37Å
164K72.9Confident66.4Low193 Ų19379.9 Ų79.984%0.83943%0.433SS*.G310 helixtrans-58.1-29.3177.4-173.3179.7176.6-176.60113.6V162V162-K164 HydrophobicContact CG2-CB 4.09Å; V162-K164 PolarHBondContact O-N 2.96Å
165N76.1Confident64.8Low106 Ų10681.4 Ų81.457%0.56745%0.445SS*.G310 helixtrans-111.210-176.2-61.7-10.9000112.2H161 V162 A163 R167H161-N165 HydrophobicContact CB-CB 4.42Å; V162-N165 CarbonylContact O-C 3.4Å; V162-N165 PolarHBondContact O-N 2.88Å; A163-N165 PolarHBondContact O-N 3.41Å; N165-R167 PolarHBondContact O-N 2.89Å
166C76.2Confident63.2Low30 Ų3082 Ų8220%0.20345%0.448CS..  trans-70.8124.9-178.9-168.70000110.7V155 C156 H161 V162 A163V155-C166 HydrophobicContact CB-CB 4.15Å; V155-C166 HydrophobicContact CG1-CB 4.49Å; V155-C166 HydrophobicContact CG2-CB 4.21Å; C156-C166 VanDerWaalsContact SG-SG 3.68Å; H161-C166 WeakPolarHBondContact CD2-CA 3.33Å; H161-C166 PolarHBondContact NE2-SG 3.33Å; V162-C166 PolarHBondContact O-N 2.92Å; A163-C166 WeakPolarHBondContact O-CB 3.38Å; A163-C166 PolarHBondContact O-N 3.37Å
167R78.8Confident61.4Low242 Ų24283.3 Ų83.391%0.91346%0.455SS*.  trans-100.70176.4-62.6-174.9-178.8-173.20.2113.2N165N165-R167 PolarHBondContact O-N 2.89Å
168S66.2Low59.4Low32 Ų3283.9 Ų83.922%0.22446%0.458CS..SBendtrans-68.2134.6178.6-590000109.7C156 G170C156-S168 VanDerWaalsContact CB-OG 3.23Å; C156-S168 WeakPolarHBondContact CB-OG 3.48Å; C156-S168 PolarHBondContact SG-OG 2.71Å; S168-G170 PolarHBondContact O-N 3.27Å; S168-G170 VanDerWaalsContact O-N 3.07Å
169P55.8Low57.4Low124 Ų12478.7 Ų78.781%0.80544%0.439SS*.SBendtrans-55.9117.5164.5-12.325.1000106.4S171P169-S171 PolarHBondContact O-N 3.44Å
170G45Very low55.1Low48 Ų4878.8 Ų78.850%0.49544%0.436SS..  trans-43.497-161.500000114.6S168S168-G170 PolarHBondContact O-N 3.27Å; S168-G170 VanDerWaalsContact O-N 3.07Å
171S39.8Very low53Low50 Ų5078 Ų7835%0.3542%0.422SS..  trans-88.2130.3168.160.10000107.7V155 C156 P169V155-S171 CarbonylContact C-O 3.52Å; C156-S171 WeakPolarHBondContact CA-OG 3.24Å; C156-S171 WeakPolarHBondContact CB-OG 3.47Å; P169-S171 PolarHBondContact O-N 3.44Å
172F35.6Very low50.8Low127 Ų12776.3 Ų76.356%0.55742%0.415SS*.  trans-47.1127.7-167.7-97.6-123.6000116.7C180 Y181F172-C180 HydrophobicContact CE2-CB 4.36Å; F172-Y181 HydrophobicContact CE1-CE2 4.23Å; F172-Y181 AromaticContact CZ-CE2 3.85Å; F172-Y181 HydrophobicContact CZ-CE2 3.85Å
173S35.6Very low48.8Very low14 Ų1476 Ų7610%0.09843%0.429CS..  trans-156.9101.1158.552.40000110.8N154 V155 V175 D176N154-S173 WeakPolarHBondContact O-CB 3.46Å; N154-S173 PolarHBondContact O-OG 3.49Å; V155-S173 VanDerWaalsContact C-OG 3.32Å; V155-S173 WeakPolarHBondContact CA-OG 3.49Å; V155-S173 PolarHBondContact N-OG 3.42Å; V155-S173 WeakPolarHBondContact O-CB 3.38Å; V155-S173 PolarHBondContact O-OG 3.22Å; S173-V175 PolarHBondContact O-N 3.17Å; S173-D176 PolarHBondContact O-N 3.49Å
174V36.1Very low47.6Very low60 Ų6075.5 Ų75.536%0.36442%0.423SS..THydrogen-bonded Turntrans40.9-34.3144.5-169.60000121.3T177 R211V174-T177 WeakPolarHBondContact CA-OG1 3.33Å; V174-R211 VanDerWaalsContact CG1-CZ 3.41Å
175V39Very low46.3Very low112 Ų11277 Ų7768%0.67942%0.423SS*.THydrogen-bonded Turntrans-95.4-18.7163.1-159.10000110.9S173S173-V175 PolarHBondContact O-N 3.17Å
176D37Very low44.9Very low26 Ų2676.4 Ų76.414%0.13941%0.413CS..SBendtrans-94.1-0.3173.9-81.3-30.5000114.5V155 S173 I178 S179 C180V155-D176 VanDerWaalsContact CG1-OD2 3.3Å; V155-D176 WeakPolarHBondContact CG1-OD2 3.43Å; V155-D176 WeakPolarHBondContact CG2-OD2 3.39Å; S173-D176 PolarHBondContact O-N 3.49Å; D176-I178 PolarHBondContact O-N 3.12Å; D176-S179 PolarHBondContact O-N 3.29Å; D176-S179 VanDerWaalsContact OD1-CB 3.27Å; D176-S179 WeakPolarHBondContact OD1-CB 3.24Å; D176-C180 WeakPolarHBondContact O-CB 3.46Å; D176-C180 PolarHBondContact O-N 3.08Å
177T37.8Very low43.3Very low33 Ų3376.4 Ų76.420%0.20241%0.411CS..THydrogen-bonded Turntrans-56.8-19.6167.9-42.50000111.4V174 Y181V174-T177 WeakPolarHBondContact CA-OG1 3.33Å; T177-Y181 HydrophobicContact CG2-CD2 4.39Å; T177-Y181 HydrophobicContact CG2-CE2 4.07Å; T177-Y181 WeakPolarHBondContact O-CD2 3.48Å
178I39Very low41.7Very low34 Ų3470.1 Ų70.117%0.17439%0.387CS..THydrogen-bonded Turntrans-96.4-22.1177.4-69.1145.4000112.2D176 T182 V191 L195 L207D176-I178 PolarHBondContact O-N 3.12Å; I178-T182 VanDerWaalsContact O-CG2 3.26Å; I178-T182 WeakPolarHBondContact O-CG2 3.27Å; I178-T182 PolarHBondContact O-OG1 3.03Å; I178-V191 HydrophobicContact CB-CG1 4.01Å; I178-V191 HydrophobicContact CG1-CG1 3.9Å; I178-V191 HydrophobicContact CG2-CB 3.82Å; I178-V191 HydrophobicContact CG2-CG1 3.39Å; I178-L195 HydrophobicContact CB-CD1 4.27Å; I178-L195 HydrophobicContact CD1-CD1 3.12Å; I178-L195 HydrophobicContact CD1-CD2 4.19Å; I178-L195 HydrophobicContact CD1-CG 4.26Å; I178-L195 HydrophobicContact CG1-CD1 3.56Å; I178-L195 HydrophobicContact CG2-CD1 3.86Å; I178-L207 HydrophobicContact CD1-CD2 3.98Å
179S37.3Very low40.9Very low25 Ų2573 Ų7318%0.17540%0.398CS..THydrogen-bonded Turntrans-91-31.1-180-179.60000112.9D176 T182 R188D176-S179 PolarHBondContact O-N 3.29Å; D176-S179 VanDerWaalsContact OD1-CB 3.27Å; D176-S179 WeakPolarHBondContact OD1-CB 3.24Å; S179-T182 PolarHBondContact O-OG1 3.45Å; S179-T182 VanDerWaalsContact O-OG1 3.04Å; S179-R188 VanDerWaalsContact OG-CZ 3.26Å; S179-R188 PolarHBondContact OG-NE 3.3Å; S179-R188 PolarHBondContact OG-NH2 2.87Å
180C36.4Very low40.2Very low49 Ų4968.5 Ų68.533%0.33137%0.366SS..SBendtrans-84.6-26.6-176.7-68.50000113.4F172 D176 T182F172-C180 HydrophobicContact CE2-CB 4.36Å; D176-C180 WeakPolarHBondContact O-CB 3.46Å; D176-C180 PolarHBondContact O-N 3.08Å; C180-T182 PolarHBondContact O-N 2.97Å
181Y36.8Very low40.4Very low148 Ų14868.5 Ų68.558%0.5836%0.356SS*.SBendtrans-78.5-2174.7-78.3-96.8000113.3F172 T177F172-Y181 HydrophobicContact CE1-CE2 4.23Å; F172-Y181 AromaticContact CZ-CE2 3.85Å; F172-Y181 HydrophobicContact CZ-CE2 3.85Å; T177-Y181 HydrophobicContact CG2-CD2 4.39Å; T177-Y181 HydrophobicContact CG2-CE2 4.07Å; T177-Y181 WeakPolarHBondContact O-CD2 3.48Å
182T35.8Very low40.9Very low11 Ų1170.8 Ų70.87%0.06736%0.36CS..  trans-120.880.4-173.262.80000108.9I178 S179 C180 S184 N187 V191I178-T182 VanDerWaalsContact O-CG2 3.26Å; I178-T182 WeakPolarHBondContact O-CG2 3.27Å; I178-T182 PolarHBondContact O-OG1 3.03Å; S179-T182 PolarHBondContact O-OG1 3.45Å; S179-T182 VanDerWaalsContact O-OG1 3.04Å; C180-T182 PolarHBondContact O-N 2.97Å; T182-S184 PolarHBondContact O-N 2.81Å; T182-N187 VanDerWaalsContact CB-C 3.47Å; T182-N187 VanDerWaalsContact CG2-C 3.45Å; T182-N187 HydrophobicContact CG2-CB 3.6Å; T182-N187 WeakPolarHBondContact CG2-O 3.49Å; T182-V191 HydrophobicContact CG2-CB 4.16Å; T182-V191 HydrophobicContact CG2-CG2 3.42Å; T182-V191 VanDerWaalsContact CG2-CG2 3.42Å
183G37.9Very low41.6Very low83 Ų8365.4 Ų65.486%0.85634%0.338SS*.SBendtrans-62.824.3176.800000115.6
184S44.9Very low42.3Very low38 Ų3866.5 Ų66.527%0.26634%0.341SS..SBendtrans-159.7140.6178.9175.50000110T182 R186 N187 R188T182-S184 PolarHBondContact O-N 2.81Å; S184-R186 PolarHBondContact O-N 3.02Å; S184-R186 PolarHBondContact OG-N 2.83Å; S184-N187 PolarHBondContact O-N 2.99Å; S184-R188 PolarHBondContact O-N 2.98Å
185R44.5Very low43.1Very low224 Ų22465.2 Ų65.285%0.84533%0.333SS*.Hα-helixtrans-46.7-30170.3-96-174.5175.8-171-0.3112.7R188 E189R185-R188 WeakPolarHBondContact O-CB 3.39Å; R185-E189 PolarHBondContact O-N 3.44Å
186R48.2Very low43.7Very low94 Ų9463.8 Ų63.836%0.35532%0.324SS..Hα-helixtrans-77.3-33.1179.7-60.9-176.3-134.9153.33.7113.3N77 S184 R188 E189 M190N77-R186 PolarHBondContact OD1-NH1 3.38Å; N77-R186 PolarHBondContact OD1-NH2 3.39Å; S184-R186 PolarHBondContact O-N 3.02Å; S184-R186 PolarHBondContact OG-N 2.83Å; R186-R188 VanDerWaalsContact C-N 3.33Å; R186-E189 PolarHBondContact O-N 3.44Å; R186-M190 WeakPolarHBondContact O-CG 3.48Å; R186-M190 PolarHBondContact O-N 3.1Å
187N42.1Very low44.1Very low30 Ų3065.2 Ų65.216%0.1633%0.331CS..Hα-helixtrans-71.7-31.2172.9-83.7-21.6000110.9T182 S184 E189 M190 V191T182-N187 VanDerWaalsContact CB-C 3.47Å; T182-N187 VanDerWaalsContact CG2-C 3.45Å; T182-N187 HydrophobicContact CG2-CB 3.6Å; T182-N187 WeakPolarHBondContact CG2-O 3.49Å; S184-N187 PolarHBondContact O-N 2.99Å; N187-E189 VanDerWaalsContact C-N 3.3Å; N187-E189 PolarHBondContact O-N 3Å; N187-M190 PolarHBondContact O-N 2.82Å; N187-V191 WeakPolarHBondContact O-CG2 3.35Å; N187-V191 PolarHBondContact O-N 3.42Å
188R45.9Very low44.6Very low110 Ų11064 Ų6442%0.41532%0.323SS..Hα-helixtrans-56.4-43.2171.3-105.8-176.5176-153-0.4112.1S179 S184 R185 R186 K192S179-R188 VanDerWaalsContact OG-CZ 3.26Å; S179-R188 PolarHBondContact OG-NE 3.3Å; S179-R188 PolarHBondContact OG-NH2 2.87Å; S184-R188 PolarHBondContact O-N 2.98Å; R185-R188 WeakPolarHBondContact O-CB 3.39Å; R186-R188 VanDerWaalsContact C-N 3.33Å; R188-K192 WeakPolarHBondContact O-CB 3.28Å; R188-K192 WeakPolarHBondContact O-CG 3.44Å; R188-K192 PolarHBondContact O-N 3.2Å
189E47.9Very low44.6Very low94 Ų9465.5 Ų65.544%0.43934%0.335SS..Hα-helixtrans-69.2-41.3177.3-64-54.8120.700111.3R185 R186 N187 V191 K192 V193R185-E189 PolarHBondContact O-N 3.44Å; R186-E189 PolarHBondContact O-N 3.44Å; N187-E189 VanDerWaalsContact C-N 3.3Å; N187-E189 PolarHBondContact O-N 3Å; E189-V191 PolarHBondContact O-N 3.22Å; E189-K192 PolarHBondContact O-N 3.42Å; E189-K192 IonicContact OE1-NZ 3.76Å; E189-K192 PolarHBondContact OE1-NZ 2.8Å; E189-V193 VanDerWaalsContact O-CB 3.23Å; E189-V193 WeakPolarHBondContact O-CB 3.43Å; E189-V193 WeakPolarHBondContact O-CG2 3.44Å; E189-V193 PolarHBondContact O-N 3.43Å
190M42.8Very low44.9Very low28 Ų2869.1 Ų69.114%0.13836%0.361CS..Hα-helixtrans-59.7-41.7176.8-67.7-68.1178.800113.7L30 P31 V61 R186 N187 V193 M194L30-M190 HydrophobicContact CB-CE 3.98Å; L30-M190 HydrophobicContact CD2-CE 3.36Å; L30-M190 HydrophobicContact CD2-SD 3.25Å; L30-M190 WeakPolarHBondContact CD2-SD 3.32Å; L30-M190 HydrophobicContact CG-CE 4.23Å; P31-M190 HydrophobicContact CG-CE 4.33Å; V61-M190 HydrophobicContact CG1-SD 4.04Å; R186-M190 WeakPolarHBondContact O-CG 3.48Å; R186-M190 PolarHBondContact O-N 3.1Å; N187-M190 PolarHBondContact O-N 2.82Å; M190-V193 WeakPolarHBondContact O-CB 3.38Å; M190-V193 PolarHBondContact O-N 2.85Å; M190-M194 PolarHBondContact O-N 3.34Å
191V49.2Very low44.8Very low48 Ų4870.5 Ų70.529%0.29137%0.371SS..Hα-helixtrans-79.8-36.3-178.6-173.90000111.5I178 T182 N187 E189 V193 M194 L195I178-V191 HydrophobicContact CB-CG1 4.01Å; I178-V191 HydrophobicContact CG1-CG1 3.9Å; I178-V191 HydrophobicContact CG2-CB 3.82Å; I178-V191 HydrophobicContact CG2-CG1 3.39Å; T182-V191 HydrophobicContact CG2-CB 4.16Å; T182-V191 HydrophobicContact CG2-CG2 3.42Å; T182-V191 VanDerWaalsContact CG2-CG2 3.42Å; N187-V191 WeakPolarHBondContact O-CG2 3.35Å; N187-V191 PolarHBondContact O-N 3.42Å; E189-V191 PolarHBondContact O-N 3.22Å; V191-V193 PolarHBondContact O-N 2.94Å; V191-M194 PolarHBondContact O-N 3.23Å; V191-L195 HydrophobicContact CG1-CD1 4.2Å; V191-L195 WeakPolarHBondContact O-CD1 3.4Å; V191-L195 WeakPolarHBondContact O-CG 3.4Å; V191-L195 PolarHBondContact O-N 3.02Å
192K50.4Low45Very low99 Ų9964.9 Ų64.943%0.4335%0.351SS..Hα-helixtrans-55.5-43.7166.7-78174.7-173.7173.80111.1R188 E189 L195 T196R188-K192 WeakPolarHBondContact O-CB 3.28Å; R188-K192 WeakPolarHBondContact O-CG 3.44Å; R188-K192 PolarHBondContact O-N 3.2Å; E189-K192 PolarHBondContact O-N 3.42Å; E189-K192 IonicContact OE1-NZ 3.76Å; E189-K192 PolarHBondContact OE1-NZ 2.8Å; K192-L195 PolarHBondContact O-N 3.47Å; K192-T196 VanDerWaalsContact O-CG2 3.31Å; K192-T196 WeakPolarHBondContact O-CG2 3.49Å; K192-T196 PolarHBondContact O-N 3.45Å; K192-T196 PolarHBondContact O-OG1 3.33Å
193V50.3Low45.7Very low14 Ų1469.4 Ų69.49%0.08537%0.367CS..Hα-helixtrans-61.3-48.4178.3164.70000110.6K29 E189 M190 V191 L195 T196 L197K29-V193 HydrophobicContact CB-CB 4.11Å; K29-V193 HydrophobicContact CB-CG1 3.4Å; K29-V193 HydrophobicContact CB-CG2 3.55Å; K29-V193 HydrophobicContact CD-CG2 4.02Å; K29-V193 HydrophobicContact CG-CG1 3.79Å; K29-V193 HydrophobicContact CG-CG2 3.96Å; E189-V193 VanDerWaalsContact O-CB 3.23Å; E189-V193 WeakPolarHBondContact O-CB 3.43Å; E189-V193 WeakPolarHBondContact O-CG2 3.44Å; E189-V193 PolarHBondContact O-N 3.43Å; M190-V193 WeakPolarHBondContact O-CB 3.38Å; M190-V193 PolarHBondContact O-N 2.85Å; V191-V193 PolarHBondContact O-N 2.94Å; V193-L195 VanDerWaalsContact C-N 3.32Å; V193-L195 PolarHBondContact O-N 3.33Å; V193-T196 WeakPolarHBondContact CA-OG1 3.45Å; V193-T196 PolarHBondContact O-N 2.94Å; V193-T196 PolarHBondContact O-OG1 3.41Å; V193-L197 HydrophobicContact CG1-CD1 3.95Å; V193-L197 WeakPolarHBondContact O-CD1 3.45Å; V193-L197 VanDerWaalsContact O-CG 3.22Å; V193-L197 WeakPolarHBondContact O-CG 3.42Å; V193-L197 PolarHBondContact O-N 3.45Å
194M49Very low46.1Very low36 Ų3675.1 Ų75.118%0.17736%0.363CS..Hα-helixtrans-58.3-39.2175.6-80.4-144.1156.400113.6M1 M26 T58 M190 V191 L197M1-M194 HydrophobicContact CG-CE 3.5Å; M1-M194 HydrophobicContact CG-SD 3.69Å; M1-M194 HydrophobicContact SD-CE 3.5Å; M1-M194 WeakPolarHBondContact SD-CE 3.37Å; M1-M194 HydrophobicContact SD-SD 4.38Å; M26-M194 HydrophobicContact CE-CE 3.88Å; T58-M194 HydrophobicContact CG2-CE 3.73Å; M190-M194 PolarHBondContact O-N 3.34Å; V191-M194 PolarHBondContact O-N 3.23Å; M194-L197 PolarHBondContact O-N 3.39Å
195L52.2Low45.7Very low34 Ų3477.6 Ų77.618%0.17837%0.373CS..Hα-helixtrans-74.7-28.5178.6-69153.1000113.6I178 V191 K192 V193 L197 I198 R203 L207I178-L195 HydrophobicContact CB-CD1 4.27Å; I178-L195 HydrophobicContact CD1-CD1 3.12Å; I178-L195 HydrophobicContact CD1-CD2 4.19Å; I178-L195 HydrophobicContact CD1-CG 4.26Å; I178-L195 HydrophobicContact CG1-CD1 3.56Å; I178-L195 HydrophobicContact CG2-CD1 3.86Å; V191-L195 HydrophobicContact CG1-CD1 4.2Å; V191-L195 WeakPolarHBondContact O-CD1 3.4Å; V191-L195 WeakPolarHBondContact O-CG 3.4Å; V191-L195 PolarHBondContact O-N 3.02Å; K192-L195 PolarHBondContact O-N 3.47Å; V193-L195 VanDerWaalsContact C-N 3.32Å; V193-L195 PolarHBondContact O-N 3.33Å; L195-L197 PolarHBondContact O-N 2.98Å; L195-I198 HydrophobicContact CD2-CD1 4.16Å; L195-R203 PolarHBondContact O-NE 2.99Å; L195-R203 VanDerWaalsContact O-NE 3.12Å; L195-L207 HydrophobicContact CD2-CD2 3.94Å; L195-L207 HydrophobicContact CD2-CG 4.49Å
196T52Low45.5Very low81 Ų8167.2 Ų67.250%0.49734%0.335SS..Hα-helixtrans-71.8-20.9174.356.30000112.9K192 V193 R203K192-T196 VanDerWaalsContact O-CG2 3.31Å; K192-T196 WeakPolarHBondContact O-CG2 3.49Å; K192-T196 PolarHBondContact O-N 3.45Å; K192-T196 PolarHBondContact O-OG1 3.33Å; V193-T196 WeakPolarHBondContact CA-OG1 3.45Å; V193-T196 PolarHBondContact O-N 2.94Å; V193-T196 PolarHBondContact O-OG1 3.41Å; T196-R203 PolarHBondContact O-NH2 3.05Å
197L46.8Very low45.4Very low56 Ų5665.9 Ų65.929%0.29333%0.334SS..THydrogen-bonded Turntrans-87.3-10.2179.2-66.7164.3000113.5T25 M26 V193 M194 L195T25-L197 HydrophobicContact CG2-CD2 3.83Å; M26-L197 HydrophobicContact CE-CD1 4.33Å; M26-L197 HydrophobicContact CG-CD1 3.45Å; M26-L197 VanDerWaalsContact CG-CD1 3.45Å; M26-L197 HydrophobicContact SD-CD1 4.45Å; V193-L197 HydrophobicContact CG1-CD1 3.95Å; V193-L197 WeakPolarHBondContact O-CD1 3.45Å; V193-L197 VanDerWaalsContact O-CG 3.22Å; V193-L197 WeakPolarHBondContact O-CG 3.42Å; V193-L197 PolarHBondContact O-N 3.45Å; M194-L197 PolarHBondContact O-N 3.39Å; L195-L197 PolarHBondContact O-N 2.98Å
198I47.2Very low45.4Very low7 Ų767.2 Ų67.24%0.03635%0.345CS..SBendtrans-81.9124.9172.3-59.5164.2000107.6L195 S200 L202 R203 V206L195-I198 HydrophobicContact CD2-CD1 4.16Å; I198-S200 PolarHBondContact O-N 3.46Å; I198-L202 VanDerWaalsContact CG2-C 3.44Å; I198-L202 HydrophobicContact CG2-CB 3.54Å; I198-R203 HydrophobicContact CB-CG 4.07Å; I198-R203 HydrophobicContact CG2-CG 4Å; I198-R203 PolarHBondContact O-NE 3.04Å; I198-V206 HydrophobicContact CD1-CB 3.83Å; I198-V206 HydrophobicContact CD1-CG1 3.66Å; I198-V206 HydrophobicContact CD1-CG2 3.91Å; I198-V206 HydrophobicContact CG1-CG2 4.5Å; I198-V206 HydrophobicContact CG2-CG2 4.19Å
199P39.7Very low45.1Very low66 Ų6664.7 Ų64.743%0.42934%0.342SS..  trans-46.5140.6171.8-29.636.6000110.9S201 L202 R203P199-S201 WeakPolarHBondContact CB-OG 3.41Å; P199-S201 PolarHBondContact O-N 3.27Å; P199-L202 HydrophobicContact CB-CD1 4.2Å; P199-L202 HydrophobicContact CG-CD1 4.02Å; P199-L202 PolarHBondContact O-N 3.43Å; P199-R203 PolarHBondContact O-N 2.85Å
200S42.1Very low44.8Very low101 Ų10164.8 Ų64.871%0.70634%0.339SS*.THydrogen-bonded Turntrans-53.9-29.8-176.748.40000112.9I198 L202I198-S200 PolarHBondContact O-N 3.46Å; S200-L202 VanDerWaalsContact C-N 3.31Å; S200-L202 PolarHBondContact O-N 2.96Å
201S35.8Very low44.6Very low79 Ų7967.1 Ų67.155%0.55235%0.347SS*.THydrogen-bonded Turntrans-60.5-33.1172.845.60000114P199P199-S201 WeakPolarHBondContact CB-OG 3.41Å; P199-S201 PolarHBondContact O-N 3.27Å
202L40.3Very low44.1Very low30 Ų3071.9 Ų71.916%0.15737%0.37CS..THydrogen-bonded Turntrans-106.7-5-169.2-65.6170.3000113.6M11 I198 P199 S200 R204 D205 V206M11-L202 HydrophobicContact CE-CD1 3.55Å; M11-L202 HydrophobicContact CE-CD2 4.08Å; M11-L202 HydrophobicContact CE-CG 4.31Å; M11-L202 HydrophobicContact SD-CD1 3.8Å; M11-L202 HydrophobicContact SD-CD2 3.36Å; M11-L202 WeakPolarHBondContact SD-CD2 2.98Å; M11-L202 HydrophobicContact SD-CG 4.17Å; I198-L202 VanDerWaalsContact CG2-C 3.44Å; I198-L202 HydrophobicContact CG2-CB 3.54Å; P199-L202 HydrophobicContact CB-CD1 4.2Å; P199-L202 HydrophobicContact CG-CD1 4.02Å; P199-L202 PolarHBondContact O-N 3.43Å; S200-L202 VanDerWaalsContact C-N 3.31Å; S200-L202 PolarHBondContact O-N 2.96Å; L202-R204 PolarHBondContact O-N 3.15Å; L202-D205 PolarHBondContact O-N 3.26Å; L202-V206 PolarHBondContact O-N 3.48Å
203R51.4Low43.4Very low105 Ų10577.3 Ų77.340%0.39640%0.397SS..Hα-helixtrans-61.5-29.3178.4-76.1-176.4-175.6171.43.7112.7L195 T196 I198 P199 L207L195-R203 PolarHBondContact O-NE 2.99Å; L195-R203 VanDerWaalsContact O-NE 3.12Å; T196-R203 PolarHBondContact O-NH2 3.05Å; I198-R203 HydrophobicContact CB-CG 4.07Å; I198-R203 HydrophobicContact CG2-CG 4Å; I198-R203 PolarHBondContact O-NE 3.04Å; P199-R203 PolarHBondContact O-N 2.85Å; R203-L207 WeakPolarHBondContact O-CB 3.43Å; R203-L207 VanDerWaalsContact O-CD1 3.24Å; R203-L207 WeakPolarHBondContact O-CD1 3.43Å; R203-L207 WeakPolarHBondContact O-CG 3.37Å; R203-L207 PolarHBondContact O-N 2.96Å
204R44.5Very low43Very low203 Ų20380.5 Ų80.577%0.76641%0.413SS*.Hα-helixtrans-74-39.7178.3-77.5-171.9-77.6-137.7-1.2112.1L202 L207 S208L202-R204 PolarHBondContact O-N 3.15Å; R204-L207 PolarHBondContact O-N 3.1Å; R204-S208 PolarHBondContact O-N 3.27Å
205D38.5Very low42.7Very low90 Ų9082.8 Ų82.848%0.48143%0.425SS..Hα-helixtrans-74.3-42-174.8-55.3-29.9000111.3L202 L207 S208 V209L202-D205 PolarHBondContact O-N 3.26Å; D205-L207 VanDerWaalsContact C-N 3.27Å; D205-L207 PolarHBondContact O-N 3.08Å; D205-S208 WeakPolarHBondContact O-CB 3.27Å; D205-S208 PolarHBondContact O-N 3.46Å; D205-S208 PolarHBondContact O-OG 3.26Å; D205-V209 PolarHBondContact O-N 3.18Å
206V39.7Very low42.2Very low7 Ų785.5 Ų85.54%0.04244%0.439CS..Hα-helixtrans-63.9-34.2175.4179.40000111.3I198 L202 S208 Y210I198-V206 HydrophobicContact CD1-CB 3.83Å; I198-V206 HydrophobicContact CD1-CG1 3.66Å; I198-V206 HydrophobicContact CD1-CG2 3.91Å; I198-V206 HydrophobicContact CG1-CG2 4.5Å; I198-V206 HydrophobicContact CG2-CG2 4.19Å; L202-V206 PolarHBondContact O-N 3.48Å; V206-S208 VanDerWaalsContact C-N 3.27Å; V206-S208 PolarHBondContact O-N 2.9Å; V206-Y210 HydrophobicContact CG1-CD2 4.18Å; V206-Y210 HydrophobicContact CG1-CE2 4.07Å; V206-Y210 VanDerWaalsContact O-CD2 3.3Å; V206-Y210 WeakPolarHBondContact O-CD2 3.39Å
207L46.4Very low41.6Very low66 Ų6685.8 Ų85.835%0.34644%0.435SS..Hα-helixtrans-73.3-15175.6-70.1173.7000114I178 L195 R203 R204 D205I178-L207 HydrophobicContact CD1-CD2 3.98Å; L195-L207 HydrophobicContact CD2-CD2 3.94Å; L195-L207 HydrophobicContact CD2-CG 4.49Å; R203-L207 WeakPolarHBondContact O-CB 3.43Å; R203-L207 VanDerWaalsContact O-CD1 3.24Å; R203-L207 WeakPolarHBondContact O-CD1 3.43Å; R203-L207 WeakPolarHBondContact O-CG 3.37Å; R203-L207 PolarHBondContact O-N 2.96Å; R204-L207 PolarHBondContact O-N 3.1Å; D205-L207 VanDerWaalsContact C-N 3.27Å; D205-L207 PolarHBondContact O-N 3.08Å
208S41.8Very low41.3Very low57 Ų5787.6 Ų87.640%0.39944%0.444SS..Hα-helixtrans-81.1-42.5174.875.40000111.8R204 D205 V206 Y210 R211R204-S208 PolarHBondContact O-N 3.27Å; D205-S208 WeakPolarHBondContact O-CB 3.27Å; D205-S208 PolarHBondContact O-N 3.46Å; D205-S208 PolarHBondContact O-OG 3.26Å; V206-S208 VanDerWaalsContact C-N 3.27Å; V206-S208 PolarHBondContact O-N 2.9Å; S208-Y210 VanDerWaalsContact C-N 3.29Å; S208-Y210 PolarHBondContact O-N 3.4Å; S208-R211 WeakPolarHBondContact O-CB 3.43Å; S208-R211 PolarHBondContact O-N 3.46Å
209V39.7Very low40.9Very low57 Ų5793 Ų9335%0.34547%0.472SS..Hα-helixtrans-63.6-33.5179.41770000112.4A3 T7 D205 R211A3-V209 HydrophobicContact CB-CG1 4.31Å; T7-V209 HydrophobicContact CG2-CG2 4.05Å; D205-V209 PolarHBondContact O-N 3.18Å; V209-R211 PolarHBondContact O-N 3.21Å
210Y41.3Very low41Very low96 Ų9694.9 Ų94.938%0.37648%0.475SS..THydrogen-bonded Turntrans-73.60.5175.5-86.7-89.6000114.1M1 A3 V206 S208M1-Y210 PolarHBondContact N-OH 3.39Å; A3-Y210 HydrophobicContact CB-CE2 4.19Å; V206-Y210 HydrophobicContact CG1-CD2 4.18Å; V206-Y210 HydrophobicContact CG1-CE2 4.07Å; V206-Y210 VanDerWaalsContact O-CD2 3.3Å; V206-Y210 WeakPolarHBondContact O-CD2 3.39Å; S208-Y210 VanDerWaalsContact C-N 3.29Å; S208-Y210 PolarHBondContact O-N 3.4Å
211R38.9Very low40.9Very low78 Ų7894.5 Ų94.529%0.29446%0.457SS..THydrogen-bonded Turntrans-103.7-14.5-176.4-140.8-173.5-76.8-141.34.6113.6V140 V174 S208 V209V140-R211 VanDerWaalsContact CG1-NH2 3.28Å; V174-R211 VanDerWaalsContact CG1-CZ 3.41Å; S208-R211 WeakPolarHBondContact O-CB 3.43Å; S208-R211 PolarHBondContact O-N 3.46Å; V209-R211 PolarHBondContact O-N 3.21Å
212D37.8Very low41.3Very low148 Ų14895.8 Ų95.879%0.79145%0.449SS*.  trans-110.518-174.9-65.4-24.5000113.7
213Q35.2Very low41.4Very low212 Ų212101.7 Ų101.799%0.99148%0.475SS*.  trans-128.80173.6-103.1174.217.300110.8

Retrieved 213 of 213 residues in 232.4 ms (Link to these results)