A0A075X6H8_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A075X6H8, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 221 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1F63.6Low76.1Confident179 Ų17991.2 Ų91.279%0.78555%0.545SS*.  0-36.80-64.2-69.9000114S3 F4 L164F1-S3 PolarHBondContact O-N 3.16Å; F1-F4 HydrophobicContact CD1-CD2 4.33Å; F1-F4 PolarHBondContact O-N 3.02Å; F1-L164 HydrophobicContact CE1-CD2 4.35Å; F1-L164 HydrophobicContact CZ-CD2 4.4Å
2A65Low76.5Confident83 Ų8394 Ų9469%0.68655%0.554SS**G310 helixtrans-54.4-34.3177.200000113.8F4 I5A2-F4 PolarHBondContact O-N 3.49Å; A2-I5 PolarHBondContact O-N 3.41Å
3S69.4Low77Confident47 Ų4792.7 Ų92.733%0.32955%0.55SS.*G310 helixtrans-65.7-16.2175.956.40000115.2F1 F87F1-S3 PolarHBondContact O-N 3.16Å; S3-F87 WeakPolarHBondContact O-CD2 3.5Å
4F73.3Confident77.4Confident38 Ų3887.5 Ų87.517%0.16752%0.523CS..G310 helixtrans-99.8-6.9-180-58.8-65.6000113.2F1 A2 A6 T91 T160 H163 L164F1-F4 HydrophobicContact CD1-CD2 4.33Å; F1-F4 PolarHBondContact O-N 3.02Å; A2-F4 PolarHBondContact O-N 3.49Å; F4-A6 PolarHBondContact O-N 3.41Å; F4-T91 HydrophobicContact CD1-CG2 3.86Å; F4-T91 HydrophobicContact CE1-CG2 3.69Å; F4-T160 HydrophobicContact CE1-CG2 4.18Å; F4-H163 HydrophobicContact CE1-CB 4.37Å; F4-H163 HydrophobicContact CZ-CB 4.11Å; F4-L164 HydrophobicContact CE2-CD2 3.8Å; F4-L164 HydrophobicContact CE2-CG 3.89Å; F4-L164 HydrophobicContact CZ-CD2 4.44Å; F4-L164 HydrophobicContact CZ-CG 4.1Å
5I79.1Confident77.7Confident123 Ų12382.7 Ų82.763%0.63150%0.497SS*.SBendtrans-72131.3176.8-59.6174000107.7A2 P7A2-I5 PolarHBondContact O-N 3.41Å; I5-P7 WeakPolarHBondContact O-CD 2.95Å; I5-P7 VanDerWaalsContact O-N 3.14Å
6A77.7Confident78Confident44 Ų4482.8 Ų82.836%0.36450%0.497SS..PPolyproline II helixtrans-56120178.500000109.7F4 T8F4-A6 PolarHBondContact O-N 3.41Å; A6-T8 PolarHBondContact O-N 3.31Å
7P79.1Confident78.3Confident36 Ų3685.4 Ų85.423%0.23451%0.507CS..PPolyproline II helixtrans-69.4125.7-176.226.7-32.7000109.1I5 A14 I18 F87I5-P7 WeakPolarHBondContact O-CD 2.95Å; I5-P7 VanDerWaalsContact O-N 3.14Å; P7-A14 HydrophobicContact CB-CB 4.17Å; P7-A14 HydrophobicContact CG-CB 4.24Å; P7-A14 WeakPolarHBondContact O-CB 3.5Å; P7-A14 PolarHBondContact O-N 2.85Å; P7-I18 HydrophobicContact CG-CD1 3.6Å; P7-F87 HydrophobicContact CG-CB 4.31Å; P7-F87 HydrophobicContact CG-CD1 3.98Å; P7-F87 HydrophobicContact CG-CD2 4.42Å; P7-F87 HydrophobicContact CG-CE1 4.44Å; P7-F87 HydrophobicContact CG-CG 3.97Å
8T84.2Confident78.7Confident98 Ų9883 Ų8360%0.60149%0.491SS*.EExtended strand (participates in β ladder)trans-116.3125.6170.251.90000108.1A6 L12A6-T8 PolarHBondContact O-N 3.31Å; T8-L12 CarbonylContact C-O 3.53Å; T8-L12 VanDerWaalsContact CA-O 3.25Å; T8-L12 WeakPolarHBondContact CA-O 3.15Å
9I83.6Confident79.1Confident112 Ų11281.3 Ų81.357%0.57448%0.479SS*.EExtended strand (participates in β ladder)trans-112.7122.6175.2-62.9173.2000105.8G11 L12 A14I9-G11 PolarHBondContact O-N 3.34Å; I9-G11 VanDerWaalsContact O-N 3.16Å; I9-L12 PolarHBondContact N-O 3.34Å; I9-L12 PolarHBondContact O-N 3.38Å; I9-A14 HydrophobicContact CD1-CB 3.92Å; I9-A14 HydrophobicContact CG1-CB 3.99Å
10L81.5Confident79.4Confident173 Ų17383.1 Ų83.191%0.90649%0.485SS*.THydrogen-bonded Turntrans54.932.8179.7-69.8150.2000113.7L12L10-L12 PolarHBondContact O-N 3.17Å
11G80.9Confident79.7Confident70 Ų7083.4 Ų83.472%0.72248%0.481SS*.THydrogen-bonded Turntrans78.9-3.3-177.800000115.2I9I9-G11 PolarHBondContact O-N 3.34Å; I9-G11 VanDerWaalsContact O-N 3.16Å
12L80.8Confident80.8Confident125 Ų12575 Ų7565%0.65445%0.445SS*.EExtended strand (participates in β ladder)trans-93141173.4-67.8170000111.2T8 I9 L10 A14T8-L12 CarbonylContact C-O 3.53Å; T8-L12 VanDerWaalsContact CA-O 3.25Å; T8-L12 WeakPolarHBondContact CA-O 3.15Å; I9-L12 PolarHBondContact N-O 3.34Å; I9-L12 PolarHBondContact O-N 3.38Å; L10-L12 PolarHBondContact O-N 3.17Å; L12-A14 PolarHBondContact O-N 3.14Å
13P82.6Confident81.7Confident77 Ų7774.3 Ų74.350%0.543%0.433SS..EExtended strand (participates in β ladder)trans-70.8103.9177.228.9-33.2000110.5A15 V16P13-A15 PolarHBondContact O-N 3Å; P13-V16 HydrophobicContact CG-CG2 4.37Å; P13-V16 PolarHBondContact O-N 3.4Å
14A82.9Confident82.5Confident20 Ų2078.5 Ų78.517%0.16545%0.451CS..THydrogen-bonded Turntrans-69.4-14.3175.900000112.4P7 I9 L12 V16 L17 I18P7-A14 HydrophobicContact CB-CB 4.17Å; P7-A14 HydrophobicContact CG-CB 4.24Å; P7-A14 WeakPolarHBondContact O-CB 3.5Å; P7-A14 PolarHBondContact O-N 2.85Å; I9-A14 HydrophobicContact CD1-CB 3.92Å; I9-A14 HydrophobicContact CG1-CB 3.99Å; L12-A14 PolarHBondContact O-N 3.14Å; A14-V16 PolarHBondContact O-N 2.99Å; A14-L17 PolarHBondContact O-N 2.97Å; A14-L17 VanDerWaalsContact O-N 3.13Å; A14-I18 WeakPolarHBondContact O-CG1 3.37Å; A14-I18 PolarHBondContact O-N 3.34Å
15A81.7Confident83.2Confident16 Ų1680.8 Ų80.813%0.13246%0.464CS..Hα-helixtrans-54.2-34.2174.500000113.2P13 L17 I18 I19 F87P13-A15 PolarHBondContact O-N 3Å; A15-L17 PolarHBondContact O-N 3.46Å; A15-I18 PolarHBondContact O-N 2.96Å; A15-I19 VanDerWaalsContact O-CG1 3.28Å; A15-I19 WeakPolarHBondContact O-CG1 3.38Å; A15-I19 PolarHBondContact O-N 3.27Å; A15-F87 HydrophobicContact CB-CE1 4.37Å
16V82.6Confident83.6Confident84 Ų8477.2 Ų77.251%0.50945%0.446SS..Hα-helixtrans-63.6-42.7179-179.60000111.2P13 A14 I18 I19 L20P13-V16 HydrophobicContact CG-CG2 4.37Å; P13-V16 PolarHBondContact O-N 3.4Å; A14-V16 PolarHBondContact O-N 2.99Å; V16-I18 VanDerWaalsContact C-N 3.31Å; V16-I18 PolarHBondContact O-N 3.36Å; V16-I19 PolarHBondContact O-N 3.07Å; V16-L20 HydrophobicContact CG1-CD1 4.16Å; V16-L20 WeakPolarHBondContact O-CG 3.35Å; V16-L20 PolarHBondContact O-N 3.35Å; V16-L20 VanDerWaalsContact O-N 3.08Å
17L83.9Confident84Confident126 Ų12677.8 Ų77.866%0.6645%0.446SS*.Hα-helixtrans-65.9-37.8179.2-167.8146.5000111.1A14 A15 L20 F21A14-L17 PolarHBondContact O-N 2.97Å; A14-L17 VanDerWaalsContact O-N 3.13Å; A15-L17 PolarHBondContact O-N 3.46Å; L17-L20 PolarHBondContact O-N 3.25Å; L17-F21 PolarHBondContact O-N 3.13Å
18I85Confident84.3Confident43 Ų4382.3 Ų82.322%0.22147%0.474CS..Hα-helixtrans-66.9-40.2177.2-60.4168.5000110.9P7 A14 A15 V16 L20 F21 P22 F87P7-I18 HydrophobicContact CG-CD1 3.6Å; A14-I18 WeakPolarHBondContact O-CG1 3.37Å; A14-I18 PolarHBondContact O-N 3.34Å; A15-I18 PolarHBondContact O-N 2.96Å; V16-I18 VanDerWaalsContact C-N 3.31Å; V16-I18 PolarHBondContact O-N 3.36Å; I18-L20 VanDerWaalsContact C-N 3.29Å; I18-L20 PolarHBondContact O-N 3.42Å; I18-F21 WeakPolarHBondContact O-CB 3.12Å; I18-F21 PolarHBondContact O-N 3.36Å; I18-P22 VanDerWaalsContact O-CD 3.28Å; I18-P22 WeakPolarHBondContact O-CD 3.45Å; I18-F87 HydrophobicContact CD1-CB 4.03Å; I18-F87 HydrophobicContact CD1-CD1 3.77Å; I18-F87 HydrophobicContact CD1-CG 4.29Å; I18-F87 HydrophobicContact CG2-CD1 4.44Å; I18-F87 WeakPolarHBondContact CG2-O 3.42Å
19I85.3Confident84.4Confident51 Ų5179.4 Ų79.426%0.26246%0.457SS..Hα-helixtrans-66.2-31.6176.1-68.3164.2000111.8A15 V16 F21 P22 F73 P89 M95A15-I19 VanDerWaalsContact O-CG1 3.28Å; A15-I19 WeakPolarHBondContact O-CG1 3.38Å; A15-I19 PolarHBondContact O-N 3.27Å; V16-I19 PolarHBondContact O-N 3.07Å; I19-F21 VanDerWaalsContact C-N 3.34Å; I19-P22 WeakPolarHBondContact O-CD 3.21Å; I19-F73 HydrophobicContact CG2-CZ 4.4Å; I19-P89 HydrophobicContact CD1-CB 4.23Å; I19-P89 HydrophobicContact CG1-CB 3.68Å; I19-P89 HydrophobicContact CG1-CG 3.99Å; I19-M95 HydrophobicContact CD1-SD 4.38Å; I19-M95 HydrophobicContact CG2-CE 4.29Å
20L85.3Confident84.4Confident116 Ų11684 Ų8461%0.60747%0.473SS*.Hα-helixtrans-80.4-12.2178.2-72.8171.2000114V16 L17 I18 P23V16-L20 HydrophobicContact CG1-CD1 4.16Å; V16-L20 WeakPolarHBondContact O-CG 3.35Å; V16-L20 PolarHBondContact O-N 3.35Å; V16-L20 VanDerWaalsContact O-N 3.08Å; L17-L20 PolarHBondContact O-N 3.25Å; I18-L20 VanDerWaalsContact C-N 3.29Å; I18-L20 PolarHBondContact O-N 3.42Å; L20-P23 WeakPolarHBondContact O-CD 3.31Å
21F86.3Confident84.5Confident90 Ų9084.8 Ų84.840%0.39547%0.465SS..Hα-helixtrans-69.7-44-177.3-170-94000114.9L17 I18 I19 L24 L25 L80L17-F21 PolarHBondContact O-N 3.13Å; I18-F21 WeakPolarHBondContact O-CB 3.12Å; I18-F21 PolarHBondContact O-N 3.36Å; I19-F21 VanDerWaalsContact C-N 3.34Å; F21-L24 VanDerWaalsContact O-CB 3.31Å; F21-L24 WeakPolarHBondContact O-CB 3.48Å; F21-L24 PolarHBondContact O-N 2.94Å; F21-L25 HydrophobicContact CD1-CD1 4.1Å; F21-L25 HydrophobicContact CD1-CG 4.35Å; F21-L25 HydrophobicContact CE1-CD1 3.89Å; F21-L25 HydrophobicContact CE1-CD2 3.97Å; F21-L25 HydrophobicContact CE1-CG 4.05Å; F21-L25 HydrophobicContact CZ-CD2 4.27Å; F21-L80 HydrophobicContact CD1-CD1 4.38Å; F21-L80 HydrophobicContact CD1-CD2 3.35Å; F21-L80 HydrophobicContact CD1-CG 4.46Å; F21-L80 HydrophobicContact CE1-CD1 4.24Å; F21-L80 HydrophobicContact CE1-CD2 3.7Å; F21-L80 HydrophobicContact CE1-CG 4.49Å; F21-L80 HydrophobicContact CG-CD2 4.42Å
22P86.9Confident84.3Confident3 Ų389.8 Ų89.82%0.01947%0.474CS..Hα-helixtrans-57-42.9-179.7-12.917.7000115.1I18 I19 L24 L25 T76 T77I18-P22 VanDerWaalsContact O-CD 3.28Å; I18-P22 WeakPolarHBondContact O-CD 3.45Å; I19-P22 WeakPolarHBondContact O-CD 3.21Å; P22-L24 PolarHBondContact O-N 3.32Å; P22-L25 WeakPolarHBondContact O-CB 3.3Å; P22-L25 PolarHBondContact O-N 2.97Å; P22-L25 VanDerWaalsContact O-N 3.11Å; P22-T76 WeakPolarHBondContact CB-OG1 3.49Å; P22-T77 HydrophobicContact CB-CG2 4.13Å; P22-T77 HydrophobicContact CG-CG2 3.42Å; P22-T77 VanDerWaalsContact CG-CG2 3.42Å
23P83.6Confident84.4Confident68 Ų6891.2 Ų91.244%0.44248%0.481SS..Hα-helixtrans-56.8-32.2173.7-26.232.7000114.2L20 L25 I26L20-P23 WeakPolarHBondContact O-CD 3.31Å; P23-L25 VanDerWaalsContact C-N 3.27Å; P23-L25 PolarHBondContact O-N 3.12Å; P23-I26 PolarHBondContact O-N 3.28Å
24L87.3Confident84.6Confident136 Ų13688.8 Ų88.871%0.71246%0.464SS*.Hα-helixtrans-69.2-26.3179.6-170.967.4000112.5F21 P22 I26F21-L24 VanDerWaalsContact O-CB 3.31Å; F21-L24 WeakPolarHBondContact O-CB 3.48Å; F21-L24 PolarHBondContact O-N 2.94Å; P22-L24 PolarHBondContact O-N 3.32Å; L24-I26 PolarHBondContact O-N 3.08Å
25L86.7Confident84.9Confident85 Ų8593 Ų9345%0.44548%0.484SS..THydrogen-bonded Turntrans-73.1-6.3178-63.4170.2000113.5F21 P22 P23 P27 L80F21-L25 HydrophobicContact CD1-CD1 4.1Å; F21-L25 HydrophobicContact CD1-CG 4.35Å; F21-L25 HydrophobicContact CE1-CD1 3.89Å; F21-L25 HydrophobicContact CE1-CD2 3.97Å; F21-L25 HydrophobicContact CE1-CG 4.05Å; F21-L25 HydrophobicContact CZ-CD2 4.27Å; P22-L25 WeakPolarHBondContact O-CB 3.3Å; P22-L25 PolarHBondContact O-N 2.97Å; P22-L25 VanDerWaalsContact O-N 3.11Å; P23-L25 VanDerWaalsContact C-N 3.27Å; P23-L25 PolarHBondContact O-N 3.12Å; L25-P27 WeakPolarHBondContact O-CD 3.22Å; L25-L80 HydrophobicContact CD1-CD1 3.3Å
26I87.1Confident85.2Confident49 Ų49102.3 Ų102.325%0.25152%0.516SS..SBendtrans-107.878.7-175.3-57.2171.9000107.8P23 L24 I72P23-I26 PolarHBondContact O-N 3.28Å; L24-I26 PolarHBondContact O-N 3.08Å; I26-I72 HydrophobicContact CD1-CG2 3.43Å; I26-I72 VanDerWaalsContact CD1-CG2 3.43Å; I26-I72 HydrophobicContact CG1-CG2 4.46Å
27P86Confident85.5Confident56 Ų56104.2 Ų104.236%0.36452%0.522SS..  trans-65.5144.3-179.927.5-34.7000110.8L25 I38L25-P27 WeakPolarHBondContact O-CD 3.22Å; P27-I38 HydrophobicContact CB-CD1 4.4Å; P27-I38 HydrophobicContact CB-CG1 4.35Å; P27-I38 HydrophobicContact CG-CD1 4.43Å; P27-I38 HydrophobicContact CG-CG1 3.9Å
28T86Confident85.8Confident131 Ų13199 Ų9980%0.80449%0.494SS*.  trans-113.2142170.1600000109.2
29S86Confident86.1Confident36 Ų3699.9 Ų99.925%0.25250%0.502SS..  trans-127.7149.1173.957.20000110.4N34S29-N34 WeakPolarHBondContact CB-OD1 3.31Å; S29-N34 PolarHBondContact OG-ND2 3.47Å; S29-N34 PolarHBondContact OG-OD1 2.86Å
30K84.1Confident86.3Confident210 Ų210101.4 Ų101.491%0.91351%0.514SS*.  trans-88.8-10.1178.1-61.9-179.4-178.8178.30112.9
31Y84.1Confident86.5Confident188 Ų18898 Ų9874%0.73750%0.495SS*.SBendtrans-82.7152.4-175.1-61-72.4000111.9N34Y31-N34 VanDerWaalsContact O-CG 3.31Å; Y31-N34 PolarHBondContact O-ND2 2.83Å; Y31-N34 PolarHBondContact O-OD1 2.91Å
32L75.9Confident86.7Confident175 Ų17598.1 Ų98.192%0.91650%0.497SS*.SBendtrans-72.7-39.5177.2-169.875.7000111.5
33I82.6Confident86.9Confident155 Ų155106 Ų10680%0.79553%0.526SS*.SBendtrans-102.4115.8174.8-58.6169.9000107.2
34N87.9Confident87.2Confident27 Ų27107.2 Ų107.214%0.14453%0.529CS..  trans-112.3169.1-172-69.2-32.5000112.5S29 Y31 I38 T39 Q42S29-N34 WeakPolarHBondContact CB-OD1 3.31Å; S29-N34 PolarHBondContact OG-ND2 3.47Å; S29-N34 PolarHBondContact OG-OD1 2.86Å; Y31-N34 VanDerWaalsContact O-CG 3.31Å; Y31-N34 PolarHBondContact O-ND2 2.83Å; Y31-N34 PolarHBondContact O-OD1 2.91Å; N34-I38 HydrophobicContact CB-CB 3.92Å; N34-I38 HydrophobicContact CB-CG2 3.77Å; N34-T39 HydrophobicContact CB-CG2 4.14Å; N34-Q42 PolarHBondContact ND2-NE2 3.28Å
35N88.3Confident87.3Confident109 Ų109103.4 Ų103.458%0.58351%0.508SS*.  trans-64.3154.4172.8-163.10.6000111.1L37 I38 T39N35-L37 PolarHBondContact O-N 3.33Å; N35-L37 VanDerWaalsContact O-N 3.16Å; N35-I38 HydrophobicContact CB-CD1 4.4Å; N35-I38 PolarHBondContact O-N 3.41Å; N35-T39 PolarHBondContact O-N 3.02Å
36R88.6Confident87.5Confident211 Ų211106.7 Ų106.780%0.79652%0.519SS*.Hα-helixtrans-54.8-35.8-176.8-63.8-177.4-179.3-178.10.4113.4T39 T40R36-T39 WeakPolarHBondContact CA-OG1 3.33Å; R36-T39 PolarHBondContact O-OG1 2.97Å; R36-T40 WeakPolarHBondContact O-CG2 3.45Å; R36-T40 PolarHBondContact O-N 3.47Å; R36-T40 VanDerWaalsContact O-N 3.08Å; R36-T40 PolarHBondContact O-OG1 2.91Å
37L88.3Confident87.6Confident123 Ų123107.8 Ų107.864%0.64453%0.525SS*.Hα-helixtrans-64.3-44.2175.2-78.7165.9000111.9N35 T40 Q41N35-L37 PolarHBondContact O-N 3.33Å; N35-L37 VanDerWaalsContact O-N 3.16Å; L37-T40 PolarHBondContact O-OG1 3.31Å; L37-Q41 VanDerWaalsContact O-CB 3.31Å; L37-Q41 WeakPolarHBondContact O-CB 3.45Å; L37-Q41 PolarHBondContact O-N 3.47Å
38I90.6Very high87.6Confident16 Ų16106 Ų1068%0.08251%0.513CS..Hα-helixtrans-70.9-36.8-179-62.3167.3000110.2P27 N34 N35 Q41 Q42P27-I38 HydrophobicContact CB-CD1 4.4Å; P27-I38 HydrophobicContact CB-CG1 4.35Å; P27-I38 HydrophobicContact CG-CD1 4.43Å; P27-I38 HydrophobicContact CG-CG1 3.9Å; N34-I38 HydrophobicContact CB-CB 3.92Å; N34-I38 HydrophobicContact CB-CG2 3.77Å; N35-I38 HydrophobicContact CB-CD1 4.4Å; N35-I38 PolarHBondContact O-N 3.41Å; I38-Q41 PolarHBondContact O-N 3.07Å; I38-Q42 HydrophobicContact CG2-CG 4.25Å; I38-Q42 WeakPolarHBondContact O-CB 3.44Å; I38-Q42 VanDerWaalsContact O-CG 3.23Å; I38-Q42 WeakPolarHBondContact O-CG 3.23Å; I38-Q42 PolarHBondContact O-N 3.29Å
39T90.4Very high87.7Confident63 Ų63101.1 Ų101.139%0.38748%0.484SS..Hα-helixtrans-67.5-41.9177.559.50000112.2N34 N35 R36 Q42 W43N34-T39 HydrophobicContact CB-CG2 4.14Å; N35-T39 PolarHBondContact O-N 3.02Å; R36-T39 WeakPolarHBondContact CA-OG1 3.33Å; R36-T39 PolarHBondContact O-OG1 2.97Å; T39-Q42 PolarHBondContact O-N 3.39Å; T39-W43 VanDerWaalsContact O-CB 3.32Å; T39-W43 WeakPolarHBondContact O-CB 3.41Å; T39-W43 PolarHBondContact O-N 2.83Å
40T90.3Very high87.7Confident83 Ų83106.4 Ų106.451%0.50950%0.503SS..Hα-helixtrans-65.1-40.9174.950.70000111.8R36 L37 W43 L44R36-T40 WeakPolarHBondContact O-CG2 3.45Å; R36-T40 PolarHBondContact O-N 3.47Å; R36-T40 VanDerWaalsContact O-N 3.08Å; R36-T40 PolarHBondContact O-OG1 2.91Å; L37-T40 PolarHBondContact O-OG1 3.31Å; T40-W43 PolarHBondContact O-N 3.11Å; T40-L44 WeakPolarHBondContact O-CB 3.44Å; T40-L44 PolarHBondContact O-N 3.22Å
41Q90.3Very high87.7Confident43 Ų43101.6 Ų101.620%0.20148%0.483CS..Hα-helixtrans-61.1-49.4173.2-176.7-166.9-49.400112.1L37 I38 W43 L44 I45L37-Q41 VanDerWaalsContact O-CB 3.31Å; L37-Q41 WeakPolarHBondContact O-CB 3.45Å; L37-Q41 PolarHBondContact O-N 3.47Å; I38-Q41 PolarHBondContact O-N 3.07Å; Q41-W43 VanDerWaalsContact C-N 3.29Å; Q41-W43 PolarHBondContact O-N 3.05Å; Q41-L44 PolarHBondContact O-N 3.35Å; Q41-I45 HydrophobicContact CG-CD1 3.92Å; Q41-I45 VanDerWaalsContact O-CG1 3.29Å; Q41-I45 WeakPolarHBondContact O-CG1 3.29Å; Q41-I45 PolarHBondContact O-N 3.38Å
42Q89.6Confident87.5Confident94 Ų9493.3 Ų93.344%0.43945%0.452SS..Hα-helixtrans-61.5-38.2178.3-75.9174.7-13.100111.9N34 I38 T39 K46N34-Q42 PolarHBondContact ND2-NE2 3.28Å; I38-Q42 HydrophobicContact CG2-CG 4.25Å; I38-Q42 WeakPolarHBondContact O-CB 3.44Å; I38-Q42 VanDerWaalsContact O-CG 3.23Å; I38-Q42 WeakPolarHBondContact O-CG 3.23Å; I38-Q42 PolarHBondContact O-N 3.29Å; T39-Q42 PolarHBondContact O-N 3.39Å; Q42-K46 WeakPolarHBondContact O-CB 3.25Å; Q42-K46 PolarHBondContact O-N 2.99Å
43W91.4Very high87.6Confident168 Ų16888.5 Ų88.564%0.63643%0.425SS*.Hα-helixtrans-63.1-44.5175-179.582.7000111.8T39 T40 Q41 K46 L47T39-W43 VanDerWaalsContact O-CB 3.32Å; T39-W43 WeakPolarHBondContact O-CB 3.41Å; T39-W43 PolarHBondContact O-N 2.83Å; T40-W43 PolarHBondContact O-N 3.11Å; Q41-W43 VanDerWaalsContact C-N 3.29Å; Q41-W43 PolarHBondContact O-N 3.05Å; W43-K46 PolarHBondContact O-N 2.86Å; W43-L47 HydrophobicContact CD2-CD1 3.74Å; W43-L47 HydrophobicContact CD2-CG 4.41Å; W43-L47 HydrophobicContact CE3-CD1 3.75Å; W43-L47 HydrophobicContact CH2-CD1 3.42Å; W43-L47 VanDerWaalsContact CH2-CD1 3.42Å; W43-L47 HydrophobicContact CZ2-CD1 3.4Å; W43-L47 VanDerWaalsContact CZ2-CD1 3.4Å; W43-L47 HydrophobicContact CZ2-CG 4.45Å; W43-L47 HydrophobicContact CZ3-CD1 3.59Å; W43-L47 WeakPolarHBondContact O-CG 3.45Å; W43-L47 PolarHBondContact O-N 3.15Å
44L89.8Confident87.5Confident94 Ų9486.2 Ų86.249%0.49242%0.419SS..Hα-helixtrans-66.1-41.7178.4-160154.1000111.8T40 Q41 K46 L47 T48T40-L44 WeakPolarHBondContact O-CB 3.44Å; T40-L44 PolarHBondContact O-N 3.22Å; Q41-L44 PolarHBondContact O-N 3.35Å; L44-K46 VanDerWaalsContact C-N 3.34Å; L44-K46 PolarHBondContact O-N 3.42Å; L44-L47 PolarHBondContact O-N 3.03Å; L44-T48 HydrophobicContact CD2-CG2 4.07Å; L44-T48 WeakPolarHBondContact O-CG2 3.47Å; L44-T48 PolarHBondContact O-N 3.42Å; L44-T48 PolarHBondContact O-OG1 3.17Å
45I90.2Very high86.8Confident56 Ų5690.5 Ų90.529%0.28744%0.439SS..Hα-helixtrans-59.2-45.3173.3-69.8168.8000110.6Q41 L47 T48 S49 V68 I72Q41-I45 HydrophobicContact CG-CD1 3.92Å; Q41-I45 VanDerWaalsContact O-CG1 3.29Å; Q41-I45 WeakPolarHBondContact O-CG1 3.29Å; Q41-I45 PolarHBondContact O-N 3.38Å; I45-L47 PolarHBondContact O-N 3.46Å; I45-T48 WeakPolarHBondContact CA-OG1 3.42Å; I45-T48 PolarHBondContact O-OG1 2.77Å; I45-S49 VanDerWaalsContact O-CB 3.3Å; I45-S49 WeakPolarHBondContact O-CB 3.19Å; I45-S49 PolarHBondContact O-N 3.48Å; I45-S49 PolarHBondContact O-OG 2.98Å; I45-V68 HydrophobicContact CG2-CG1 4.04Å; I45-I72 HydrophobicContact CD1-CD1 4.15Å; I45-I72 HydrophobicContact CG1-CD1 3.64Å
46K89.9Confident86.3Confident153 Ų15385.9 Ų85.967%0.66541%0.414SS*.Hα-helixtrans-65.9-37.9-179.3-174176.5-179.3178.70112.5Q42 W43 L44 S49 K50Q42-K46 WeakPolarHBondContact O-CB 3.25Å; Q42-K46 PolarHBondContact O-N 2.99Å; W43-K46 PolarHBondContact O-N 2.86Å; L44-K46 VanDerWaalsContact C-N 3.34Å; L44-K46 PolarHBondContact O-N 3.42Å; K46-S49 PolarHBondContact O-OG 3.11Å; K46-S49 VanDerWaalsContact O-OG 3.09Å; K46-K50 VanDerWaalsContact O-CB 3.26Å; K46-K50 WeakPolarHBondContact O-CB 3.41Å; K46-K50 PolarHBondContact O-N 3.09Å
47L89.4Confident85.6Confident73 Ų7381.2 Ų81.238%0.38241%0.405SS..Hα-helixtrans-66.8-50.1177-75.7176.2000111.8W43 L44 I45 K50 Q51W43-L47 HydrophobicContact CD2-CD1 3.74Å; W43-L47 HydrophobicContact CD2-CG 4.41Å; W43-L47 HydrophobicContact CE3-CD1 3.75Å; W43-L47 HydrophobicContact CH2-CD1 3.42Å; W43-L47 VanDerWaalsContact CH2-CD1 3.42Å; W43-L47 HydrophobicContact CZ2-CD1 3.4Å; W43-L47 VanDerWaalsContact CZ2-CD1 3.4Å; W43-L47 HydrophobicContact CZ2-CG 4.45Å; W43-L47 HydrophobicContact CZ3-CD1 3.59Å; W43-L47 WeakPolarHBondContact O-CG 3.45Å; W43-L47 PolarHBondContact O-N 3.15Å; L44-L47 PolarHBondContact O-N 3.03Å; I45-L47 PolarHBondContact O-N 3.46Å; L47-K50 PolarHBondContact O-N 3.14Å; L47-Q51 PolarHBondContact O-N 3.12Å
48T86.4Confident85Confident18 Ų1880.4 Ų80.411%0.1141%0.405CS..Hα-helixtrans-62.6-44.2179.749.90000111.1L44 I45 K50 Q51 M52L44-T48 HydrophobicContact CD2-CG2 4.07Å; L44-T48 WeakPolarHBondContact O-CG2 3.47Å; L44-T48 PolarHBondContact O-N 3.42Å; L44-T48 PolarHBondContact O-OG1 3.17Å; I45-T48 WeakPolarHBondContact CA-OG1 3.42Å; I45-T48 PolarHBondContact O-OG1 2.77Å; T48-K50 VanDerWaalsContact C-N 3.33Å; T48-K50 PolarHBondContact O-N 3.35Å; T48-Q51 PolarHBondContact O-N 3.07Å; T48-M52 VanDerWaalsContact O-CG 3.28Å; T48-M52 WeakPolarHBondContact O-CG 3.18Å; T48-M52 PolarHBondContact O-N 3.28Å
49S86.9Confident84.2Confident28 Ų2885.9 Ų85.920%0.19643%0.429CS..Hα-helixtrans-62.6-39.9176.474.10000112.2I45 K46 M52 M53I45-S49 VanDerWaalsContact O-CB 3.3Å; I45-S49 WeakPolarHBondContact O-CB 3.19Å; I45-S49 PolarHBondContact O-N 3.48Å; I45-S49 PolarHBondContact O-OG 2.98Å; K46-S49 PolarHBondContact O-OG 3.11Å; K46-S49 VanDerWaalsContact O-OG 3.09Å; S49-M52 PolarHBondContact O-N 3.16Å; S49-M53 VanDerWaalsContact O-CB 3.31Å; S49-M53 WeakPolarHBondContact O-CB 3Å; S49-M53 WeakPolarHBondContact O-CG 3.18Å; S49-M53 PolarHBondContact O-N 2.95Å
50K86.8Confident83.4Confident148 Ų14882.9 Ų82.964%0.64341%0.411SS*.Hα-helixtrans-63.3-45.7178.8-174.3-179.6179.8-174.50111.3K46 L47 T48 M53 T54K46-K50 VanDerWaalsContact O-CB 3.26Å; K46-K50 WeakPolarHBondContact O-CB 3.41Å; K46-K50 PolarHBondContact O-N 3.09Å; L47-K50 PolarHBondContact O-N 3.14Å; T48-K50 VanDerWaalsContact C-N 3.33Å; T48-K50 PolarHBondContact O-N 3.35Å; K50-M53 PolarHBondContact O-N 3.21Å; K50-T54 WeakPolarHBondContact O-CG2 3.37Å; K50-T54 PolarHBondContact O-N 3.03Å; K50-T54 VanDerWaalsContact O-N 3.11Å; K50-T54 PolarHBondContact O-OG1 2.74Å
51Q83.4Confident82.9Confident108 Ų10884.9 Ų84.951%0.50541%0.409SS..Hα-helixtrans-62.6-44.2177.3-71.7177.6-27.300111.9L47 T48 M53 T54L47-Q51 PolarHBondContact O-N 3.12Å; T48-Q51 PolarHBondContact O-N 3.07Å; Q51-M53 PolarHBondContact O-N 3.28Å; Q51-T54 PolarHBondContact O-N 3.25Å; Q51-T54 PolarHBondContact O-OG1 2.92Å
52M80.3Confident82.5Confident14 Ų1487.7 Ų87.77%0.06943%0.429CS..Hα-helixtrans-65.1-41.4178.1-65.8-66.5173.400111.7T48 S49 T54 M55 H56T48-M52 VanDerWaalsContact O-CG 3.28Å; T48-M52 WeakPolarHBondContact O-CG 3.18Å; T48-M52 PolarHBondContact O-N 3.28Å; S49-M52 PolarHBondContact O-N 3.16Å; M52-T54 VanDerWaalsContact C-N 3.32Å; M52-T54 PolarHBondContact O-N 3.44Å; M52-M55 PolarHBondContact O-N 2.95Å; M52-H56 PolarHBondContact O-ND1 3.06Å
53M78.4Confident82.2Confident74 Ų7485.7 Ų85.737%0.36542%0.418SS..Hα-helixtrans-68.8-25.9179.7-73.2173.377.600113.7S49 K50 Q51 M55S49-M53 VanDerWaalsContact O-CB 3.31Å; S49-M53 WeakPolarHBondContact O-CB 3Å; S49-M53 WeakPolarHBondContact O-CG 3.18Å; S49-M53 PolarHBondContact O-N 2.95Å; K50-M53 PolarHBondContact O-N 3.21Å; Q51-M53 PolarHBondContact O-N 3.28Å; M53-M55 VanDerWaalsContact C-N 3.28Å; M53-M55 PolarHBondContact O-N 3.28Å
54T80.6Confident81.8Confident108 Ų10878.5 Ų78.566%0.66339%0.393SS*.Hα-helixtrans-67.8-27.7175.843.50000113.1K50 Q51 M52K50-T54 WeakPolarHBondContact O-CG2 3.37Å; K50-T54 PolarHBondContact O-N 3.03Å; K50-T54 VanDerWaalsContact O-N 3.11Å; K50-T54 PolarHBondContact O-OG1 2.74Å; Q51-T54 PolarHBondContact O-N 3.25Å; Q51-T54 PolarHBondContact O-OG1 2.92Å; M52-T54 VanDerWaalsContact C-N 3.32Å; M52-T54 PolarHBondContact O-N 3.44Å
55M73.6Confident81.8Confident116 Ų11681 Ų8157%0.57141%0.406SS*.Hα-helixtrans-86.4-16.6-179.3-55-161.386.900113.3M52 M53 H218M52-M55 PolarHBondContact O-N 2.95Å; M53-M55 VanDerWaalsContact C-N 3.28Å; M53-M55 PolarHBondContact O-N 3.28Å; M55-H218 PolarHBondContact O-CE1 2.99Å; M55-H218 VanDerWaalsContact O-CE1 3.29Å; M55-H218 PolarHBondContact O-ND1 3.34Å
56H76.6Confident81.7Confident13 Ų1381 Ų816%0.0641%0.405CS..  trans-110.6141.2-168.8-69.575.6000114.3M52 R61 S214M52-H56 PolarHBondContact O-ND1 3.06Å; H56-R61 HydrophobicContact CB-CG 4.42Å; H56-R61 PolarHBondContact O-NE 3.19Å; H56-S214 PolarHBondContact NE2-O 3.04Å
57N74.4Confident81.6Confident113 Ų11373.8 Ų73.860%0.60437%0.374SS*.  trans-72.4170.1170.2-129.4-11.9000111.6K59 G60 R61N57-K59 VanDerWaalsContact C-N 3.27Å; N57-K59 PolarHBondContact O-N 2.97Å; N57-K59 VanDerWaalsContact O-N 3.11Å; N57-G60 PolarHBondContact O-N 3.25Å; N57-R61 PolarHBondContact O-N 3.47Å
58T75.1Confident81.6Confident105 Ų10571 Ų7164%0.64436%0.36SS*.THydrogen-bonded Turntrans-54-36.6-171.756.60000114.8
59K74.2Confident81.7Confident131 Ų13173.4 Ų73.457%0.5738%0.377SS*.THydrogen-bonded Turntrans-68.8-44174.6-69.5-177.6-178.6176.50112.5N57 R61 T62N57-K59 VanDerWaalsContact C-N 3.27Å; N57-K59 PolarHBondContact O-N 2.97Å; N57-K59 VanDerWaalsContact O-N 3.11Å; K59-R61 VanDerWaalsContact C-N 3.26Å; K59-R61 PolarHBondContact O-N 3.16Å; K59-T62 PolarHBondContact O-N 3.46Å; K59-T62 PolarHBondContact O-OG1 3.32Å
60G73.6Confident81.7Confident1 Ų172.8 Ų72.81%0.0137%0.372CS..G310 helixtrans-65.3-27.4177.900000113.3N57 T62 W63N57-G60 PolarHBondContact O-N 3.25Å; G60-T62 PolarHBondContact O-N 3.1Å; G60-W63 PolarHBondContact O-N 2.92Å
61R79.4Confident81.9Confident124 Ų12466.6 Ų66.647%0.46835%0.346SS..G310 helixtrans-61.4-24.1175.6-70.3179.3-176-176.3-0.3113.9H56 N57 K59 W63 S64H56-R61 HydrophobicContact CB-CG 4.42Å; H56-R61 PolarHBondContact O-NE 3.19Å; N57-R61 PolarHBondContact O-N 3.47Å; K59-R61 VanDerWaalsContact C-N 3.26Å; K59-R61 PolarHBondContact O-N 3.16Å; R61-W63 PolarHBondContact O-N 3.39Å; R61-S64 WeakPolarHBondContact O-CB 3.42Å; R61-S64 PolarHBondContact O-N 3.44Å; R61-S64 VanDerWaalsContact O-N 3.11Å
62T83.1Confident82.2Confident103 Ų10363 Ų6363%0.63233%0.33SS*.G310 helixtrans-62.7-27.8175.560.80000112.5K59 G60 S64K59-T62 PolarHBondContact O-N 3.46Å; K59-T62 PolarHBondContact O-OG1 3.32Å; G60-T62 PolarHBondContact O-N 3.1Å; T62-S64 VanDerWaalsContact C-N 3.34Å
63W82.7Confident82.6Confident52 Ų5264.7 Ų64.720%0.19734%0.337CS..G310 helixtrans-85.4-5.1177.8-72.667.3000113.7G60 R61 L65 M66 L67 M110 L217G60-W63 PolarHBondContact O-N 2.92Å; R61-W63 PolarHBondContact O-N 3.39Å; W63-L65 VanDerWaalsContact C-N 3.27Å; W63-L65 PolarHBondContact O-N 3.38Å; W63-M66 HydrophobicContact CD2-CE 4.35Å; W63-M66 HydrophobicContact CE3-CE 3.16Å; W63-M66 HydrophobicContact CE3-SD 3.59Å; W63-M66 VanDerWaalsContact CE3-SD 3.59Å; W63-M66 HydrophobicContact CH2-SD 4.44Å; W63-M66 HydrophobicContact CZ3-CE 3.39Å; W63-M66 HydrophobicContact CZ3-SD 3.46Å; W63-M66 WeakPolarHBondContact CZ3-SD 3.33Å; W63-M66 PolarHBondContact O-N 3.29Å; W63-L67 PolarHBondContact O-N 2.9Å; W63-M110 HydrophobicContact CZ2-SD 3.7Å; W63-M110 PolarHBondContact NE1-SD 3.17Å; W63-L217 HydrophobicContact CB-CD2 3.4Å; W63-L217 VanDerWaalsContact CB-CD2 3.4Å; W63-L217 HydrophobicContact CD2-CD1 3.86Å; W63-L217 HydrophobicContact CD2-CD2 4.24Å; W63-L217 HydrophobicContact CE3-CD1 4.2Å; W63-L217 HydrophobicContact CG-CD1 3.97Å; W63-L217 HydrophobicContact CG-CD2 3.59Å; W63-L217 HydrophobicContact CG-CG 4.46Å
64S84.1Confident83Confident17 Ų1761.2 Ų61.212%0.11932%0.32CS..Hα-helixtrans-53.8-43.8-179.2176.70000112R61 T62 M66 L67 V68R61-S64 WeakPolarHBondContact O-CB 3.42Å; R61-S64 PolarHBondContact O-N 3.44Å; R61-S64 VanDerWaalsContact O-N 3.11Å; T62-S64 VanDerWaalsContact C-N 3.34Å; S64-M66 VanDerWaalsContact C-N 3.31Å; S64-M66 PolarHBondContact O-N 3.07Å; S64-L67 PolarHBondContact O-N 2.9Å; S64-V68 WeakPolarHBondContact O-CB 3.3Å; S64-V68 VanDerWaalsContact O-CG2 3.26Å; S64-V68 WeakPolarHBondContact O-CG2 3.34Å; S64-V68 PolarHBondContact O-N 3.05Å
65L88Confident83.4Confident146 Ų14657.6 Ų57.676%0.76430%0.301SS*.Hα-helixtrans-59.5-43.5179-170100.4000111.7W63 V68 S69W63-L65 VanDerWaalsContact C-N 3.27Å; W63-L65 PolarHBondContact O-N 3.38Å; L65-V68 PolarHBondContact O-N 3.35Å; L65-S69 PolarHBondContact O-N 3.35Å; L65-S69 PolarHBondContact O-OG 3.17Å
66M88.5Confident84.1Confident55 Ų5553.6 Ų53.627%0.27128%0.283SS..Hα-helixtrans-69.6-39.9-179-170.5-158.374.100111.7W63 S64 V68 S69 L70 L103W63-M66 HydrophobicContact CD2-CE 4.35Å; W63-M66 HydrophobicContact CE3-CE 3.16Å; W63-M66 HydrophobicContact CE3-SD 3.59Å; W63-M66 VanDerWaalsContact CE3-SD 3.59Å; W63-M66 HydrophobicContact CH2-SD 4.44Å; W63-M66 HydrophobicContact CZ3-CE 3.39Å; W63-M66 HydrophobicContact CZ3-SD 3.46Å; W63-M66 WeakPolarHBondContact CZ3-SD 3.33Å; W63-M66 PolarHBondContact O-N 3.29Å; S64-M66 VanDerWaalsContact C-N 3.31Å; S64-M66 PolarHBondContact O-N 3.07Å; M66-V68 VanDerWaalsContact C-N 3.33Å; M66-V68 PolarHBondContact O-N 2.67Å; M66-S69 PolarHBondContact O-N 3.45Å; M66-S69 PolarHBondContact O-OG 3.25Å; M66-L70 WeakPolarHBondContact O-CB 3.28Å; M66-L70 PolarHBondContact O-N 2.97Å; M66-L103 HydrophobicContact CE-CD2 3.33Å; M66-L103 HydrophobicContact CG-CD2 4.42Å; M66-L103 HydrophobicContact SD-CD2 3.56Å; M66-L103 VanDerWaalsContact SD-CD2 3.56Å
67L87.3Confident84.7Confident3 Ų353.1 Ų53.12%0.01628%0.281CS..Hα-helixtrans-65.2-38.5175.9-68.1172.6000111.9W63 S64 L70 I71 V213W63-L67 PolarHBondContact O-N 2.9Å; S64-L67 PolarHBondContact O-N 2.9Å; L67-L70 PolarHBondContact O-N 3.35Å; L67-I71 PolarHBondContact O-N 2.96Å; L67-V213 HydrophobicContact CD2-CB 4.12Å; L67-V213 HydrophobicContact CD2-CG1 3.74Å
68V89.3Confident85.3Confident15 Ų1547.8 Ų47.89%0.09125%0.252CS..Hα-helixtrans-70.7-39.9177.71730000111.5I45 S64 L65 M66 L70 I71 I72I45-V68 HydrophobicContact CG2-CG1 4.04Å; S64-V68 WeakPolarHBondContact O-CB 3.3Å; S64-V68 VanDerWaalsContact O-CG2 3.26Å; S64-V68 WeakPolarHBondContact O-CG2 3.34Å; S64-V68 PolarHBondContact O-N 3.05Å; L65-V68 PolarHBondContact O-N 3.35Å; M66-V68 VanDerWaalsContact C-N 3.33Å; M66-V68 PolarHBondContact O-N 2.67Å; V68-L70 VanDerWaalsContact C-N 3.3Å; V68-L70 PolarHBondContact O-N 3.11Å; V68-I71 WeakPolarHBondContact O-CG2 3.36Å; V68-I72 HydrophobicContact CG1-CD1 3.83Å; V68-I72 VanDerWaalsContact O-CD1 3.28Å; V68-I72 WeakPolarHBondContact O-CD1 3.27Å; V68-I72 VanDerWaalsContact O-CG1 3.23Å; V68-I72 WeakPolarHBondContact O-CG1 3.38Å; V68-I72 PolarHBondContact O-N 3.25Å
69S89.5Confident85.9Confident67 Ų6747.6 Ų47.647%0.46925%0.247SC..Hα-helixtrans-65.4-38.5174.963.80000111.6L65 M66 I72 F73L65-S69 PolarHBondContact O-N 3.35Å; L65-S69 PolarHBondContact O-OG 3.17Å; M66-S69 PolarHBondContact O-N 3.45Å; M66-S69 PolarHBondContact O-OG 3.25Å; S69-I72 PolarHBondContact O-N 3.15Å; S69-F73 VanDerWaalsContact O-CB 3.32Å; S69-F73 WeakPolarHBondContact O-CB 3.36Å; S69-F73 PolarHBondContact O-N 3.35Å
70L88Confident86.5Confident16 Ų1643.4 Ų43.48%0.08423%0.231CC..Hα-helixtrans-63.2-48.7178.3-175.779.3000112.7M66 L67 V68 I72 F73 I74 L103 F209 T210M66-L70 WeakPolarHBondContact O-CB 3.28Å; M66-L70 PolarHBondContact O-N 2.97Å; L67-L70 PolarHBondContact O-N 3.35Å; V68-L70 VanDerWaalsContact C-N 3.3Å; V68-L70 PolarHBondContact O-N 3.11Å; L70-I72 VanDerWaalsContact C-N 3.28Å; L70-I72 PolarHBondContact O-N 3.42Å; L70-F73 PolarHBondContact O-N 3.44Å; L70-I74 HydrophobicContact CD1-CD1 4.07Å; L70-I74 HydrophobicContact CG-CD1 3.92Å; L70-I74 WeakPolarHBondContact O-CG1 3.35Å; L70-I74 PolarHBondContact O-N 3.06Å; L70-L103 HydrophobicContact CD1-CD1 3.35Å; L70-L103 HydrophobicContact CD2-CD1 3.86Å; L70-L103 HydrophobicContact CG-CD1 4.24Å; L70-F209 HydrophobicContact CD1-CE1 4.13Å; L70-F209 HydrophobicContact CD2-CD1 3.83Å; L70-F209 HydrophobicContact CD2-CE1 3.72Å; L70-F209 HydrophobicContact CG-CD1 4.31Å; L70-F209 HydrophobicContact CG-CE1 4.17Å; L70-T210 HydrophobicContact CB-CG2 4.37Å; L70-T210 HydrophobicContact CD2-CG2 3.72Å; L70-T210 HydrophobicContact CG-CG2 4.06Å
71I89.1Confident86.9Confident18 Ų1843.5 Ų43.59%0.09223%0.232CC..Hα-helixtrans-61.9-40.9-179.3-160.9174.5000110.8L67 V68 A75 A206 Y207 T210L67-I71 PolarHBondContact O-N 2.96Å; V68-I71 WeakPolarHBondContact O-CG2 3.36Å; I71-A75 WeakPolarHBondContact O-CB 3.36Å; I71-A75 PolarHBondContact O-N 3.07Å; I71-A206 HydrophobicContact CG1-CB 4.47Å; I71-Y207 HydrophobicContact CD1-CD2 4.26Å; I71-T210 HydrophobicContact CB-CG2 3.45Å; I71-T210 VanDerWaalsContact CB-CG2 3.45Å; I71-T210 HydrophobicContact CD1-CG2 4.45Å; I71-T210 WeakPolarHBondContact CD1-OG1 3.36Å; I71-T210 HydrophobicContact CG1-CG2 3.84Å
72I89.6Confident87.1Confident33 Ų3339.6 Ų39.617%0.16922%0.22CC..Hα-helixtrans-68.7-41.5179.7-63.5166.3000110.3I26 I45 V68 S69 L70 T76I26-I72 HydrophobicContact CD1-CG2 3.43Å; I26-I72 VanDerWaalsContact CD1-CG2 3.43Å; I26-I72 HydrophobicContact CG1-CG2 4.46Å; I45-I72 HydrophobicContact CD1-CD1 4.15Å; I45-I72 HydrophobicContact CG1-CD1 3.64Å; V68-I72 HydrophobicContact CG1-CD1 3.83Å; V68-I72 VanDerWaalsContact O-CD1 3.28Å; V68-I72 WeakPolarHBondContact O-CD1 3.27Å; V68-I72 VanDerWaalsContact O-CG1 3.23Å; V68-I72 WeakPolarHBondContact O-CG1 3.38Å; V68-I72 PolarHBondContact O-N 3.25Å; S69-I72 PolarHBondContact O-N 3.15Å; L70-I72 VanDerWaalsContact C-N 3.28Å; L70-I72 PolarHBondContact O-N 3.42Å; I72-T76 HydrophobicContact CG2-CG2 4.28Å; I72-T76 WeakPolarHBondContact O-CB 3.46Å; I72-T76 VanDerWaalsContact O-CG2 3.25Å; I72-T76 WeakPolarHBondContact O-CG2 3.4Å; I72-T76 PolarHBondContact O-N 2.78Å; I72-T76 PolarHBondContact O-OG1 3.4Å
73F88.6Confident87.1Confident48 Ų4839.1 Ų39.121%0.21121%0.213CC..Hα-helixtrans-63.2-48.2178-178.9-101.8000112.4I19 S69 L70 T76 T77 M95 M99I19-F73 HydrophobicContact CG2-CZ 4.4Å; S69-F73 VanDerWaalsContact O-CB 3.32Å; S69-F73 WeakPolarHBondContact O-CB 3.36Å; S69-F73 PolarHBondContact O-N 3.35Å; L70-F73 PolarHBondContact O-N 3.44Å; F73-T76 PolarHBondContact O-OG1 3.49Å; F73-T76 VanDerWaalsContact O-OG1 3.08Å; F73-T77 HydrophobicContact CD2-CG2 4.37Å; F73-T77 HydrophobicContact CE1-CG2 4.13Å; F73-T77 HydrophobicContact CE2-CG2 3.97Å; F73-T77 HydrophobicContact CZ-CG2 3.85Å; F73-T77 WeakPolarHBondContact O-CB 3.25Å; F73-T77 WeakPolarHBondContact O-CG2 3.37Å; F73-T77 PolarHBondContact O-N 3Å; F73-T77 PolarHBondContact O-OG1 3.45Å; F73-M95 HydrophobicContact CE1-CE 4.09Å; F73-M95 HydrophobicContact CZ-CE 4.08Å; F73-M99 HydrophobicContact CD1-SD 3.94Å; F73-M99 HydrophobicContact CE1-CE 4.46Å; F73-M99 HydrophobicContact CE1-SD 3.55Å; F73-M99 VanDerWaalsContact CE1-SD 3.55Å
74I88.3Confident86.9Confident1 Ų141.9 Ų41.91%0.00524%0.237CC..Hα-helixtrans-67.9-42.2-179.8-60.9169.6000110.5L70 T77 N78 L155 A206 F209L70-I74 HydrophobicContact CD1-CD1 4.07Å; L70-I74 HydrophobicContact CG-CD1 3.92Å; L70-I74 WeakPolarHBondContact O-CG1 3.35Å; L70-I74 PolarHBondContact O-N 3.06Å; I74-T77 WeakPolarHBondContact CA-OG1 3.33Å; I74-T77 PolarHBondContact O-OG1 3.47Å; I74-N78 VanDerWaalsContact O-CB 3.32Å; I74-N78 WeakPolarHBondContact O-CB 3.19Å; I74-N78 PolarHBondContact O-N 2.92Å; I74-N78 PolarHBondContact O-ND2 3.11Å; I74-L155 HydrophobicContact CG2-CD1 4.06Å; I74-L155 HydrophobicContact CG2-CD2 4.26Å; I74-A206 HydrophobicContact CB-CB 4.1Å; I74-A206 HydrophobicContact CG2-CB 3.8Å; I74-F209 HydrophobicContact CD1-CB 4.32Å; I74-F209 HydrophobicContact CD1-CD1 3.38Å; I74-F209 HydrophobicContact CD1-CD2 4.31Å; I74-F209 HydrophobicContact CD1-CE1 3.69Å; I74-F209 HydrophobicContact CD1-CG 3.76Å; I74-F209 HydrophobicContact CD1-CZ 4.29Å
75A88.3Confident86.6Confident32 Ų3250.3 Ų50.326%0.26428%0.275SS..Hα-helixtrans-63.1-44.5178.500000112.1I71 L79 A206I71-A75 WeakPolarHBondContact O-CB 3.36Å; I71-A75 PolarHBondContact O-N 3.07Å; A75-L79 VanDerWaalsContact O-CB 3.28Å; A75-L79 WeakPolarHBondContact O-CB 3.32Å; A75-L79 PolarHBondContact O-N 3.4Å; A75-A206 HydrophobicContact CB-CB 4Å
76T88.9Confident86.2Confident32 Ų3244.7 Ų44.720%0.19625%0.247CC..Hα-helixtrans-68.7-43.6-179.851.40000112.2P22 I72 F73 L79 L80P22-T76 WeakPolarHBondContact CB-OG1 3.49Å; I72-T76 HydrophobicContact CG2-CG2 4.28Å; I72-T76 WeakPolarHBondContact O-CB 3.46Å; I72-T76 VanDerWaalsContact O-CG2 3.25Å; I72-T76 WeakPolarHBondContact O-CG2 3.4Å; I72-T76 PolarHBondContact O-N 2.78Å; I72-T76 PolarHBondContact O-OG1 3.4Å; F73-T76 PolarHBondContact O-OG1 3.49Å; F73-T76 VanDerWaalsContact O-OG1 3.08Å; T76-L79 PolarHBondContact O-N 3.15Å; T76-L80 WeakPolarHBondContact O-CB 3.41Å; T76-L80 PolarHBondContact O-N 3Å
77T88.2Confident85.7Confident3 Ų343.3 Ų43.32%0.01824%0.24CC..Hα-helixtrans-62.6-42.7176.4480000112.6P22 F73 I74 G81P22-T77 HydrophobicContact CB-CG2 4.13Å; P22-T77 HydrophobicContact CG-CG2 3.42Å; P22-T77 VanDerWaalsContact CG-CG2 3.42Å; F73-T77 HydrophobicContact CD2-CG2 4.37Å; F73-T77 HydrophobicContact CE1-CG2 4.13Å; F73-T77 HydrophobicContact CE2-CG2 3.97Å; F73-T77 HydrophobicContact CZ-CG2 3.85Å; F73-T77 WeakPolarHBondContact O-CB 3.25Å; F73-T77 WeakPolarHBondContact O-CG2 3.37Å; F73-T77 PolarHBondContact O-N 3Å; F73-T77 PolarHBondContact O-OG1 3.45Å; I74-T77 WeakPolarHBondContact CA-OG1 3.33Å; I74-T77 PolarHBondContact O-OG1 3.47Å; T77-G81 PolarHBondContact O-N 3.05Å; T77-G81 VanDerWaalsContact O-N 3.13Å
78N88.4Confident85.2Confident2 Ų243.2 Ų43.21%0.01124%0.24CC..Hα-helixtrans-67.7-42.4177.9-68.2-11.5000112I74 G81 L82 T90 L155 I159 A202I74-N78 VanDerWaalsContact O-CB 3.32Å; I74-N78 WeakPolarHBondContact O-CB 3.19Å; I74-N78 PolarHBondContact O-N 2.92Å; I74-N78 PolarHBondContact O-ND2 3.11Å; N78-G81 WeakPolarHBondContact O-CA 3.5Å; N78-G81 PolarHBondContact O-N 3.28Å; N78-G81 VanDerWaalsContact O-N 3.07Å; N78-L82 PolarHBondContact O-N 3.31Å; N78-T90 WeakPolarHBondContact OD1-CG2 3.19Å; N78-T90 PolarHBondContact OD1-OG1 3.3Å; N78-L155 WeakPolarHBondContact ND2-CD1 3.46Å; N78-I159 HydrophobicContact CB-CD1 4.3Å; N78-I159 WeakPolarHBondContact OD1-CD1 3.46Å; N78-A202 HydrophobicContact CB-CB 3.97Å; N78-A202 PolarHBondContact ND2-O 3.14Å
79L87.1Confident84.4Confident100 Ų10042.9 Ų42.952%0.52424%0.238SC..Hα-helixtrans-67-42.5-179.8-170.971.5000111.6A75 T76 G81 L82 I199A75-L79 VanDerWaalsContact O-CB 3.28Å; A75-L79 WeakPolarHBondContact O-CB 3.32Å; A75-L79 PolarHBondContact O-N 3.4Å; T76-L79 PolarHBondContact O-N 3.15Å; L79-G81 PolarHBondContact O-N 2.63Å; L79-L82 PolarHBondContact O-N 2.92Å; L79-I199 HydrophobicContact CD1-CG2 4.15Å
80L86.4Confident84Confident44 Ų4439.8 Ų39.823%0.2322%0.216CC..Hα-helixtrans-58.7-29.3172.3-129.687000112.1F21 L25 T76 L82 L83 S86F21-L80 HydrophobicContact CD1-CD1 4.38Å; F21-L80 HydrophobicContact CD1-CD2 3.35Å; F21-L80 HydrophobicContact CD1-CG 4.46Å; F21-L80 HydrophobicContact CE1-CD1 4.24Å; F21-L80 HydrophobicContact CE1-CD2 3.7Å; F21-L80 HydrophobicContact CE1-CG 4.49Å; F21-L80 HydrophobicContact CG-CD2 4.42Å; L25-L80 HydrophobicContact CD1-CD1 3.3Å; T76-L80 WeakPolarHBondContact O-CB 3.41Å; T76-L80 PolarHBondContact O-N 3Å; L80-L82 VanDerWaalsContact C-N 3.28Å; L80-L82 PolarHBondContact O-N 3.42Å; L80-L83 HydrophobicContact CG-CD1 4.15Å; L80-L83 WeakPolarHBondContact O-CB 3.34Å; L80-L83 WeakPolarHBondContact O-CG 3.31Å; L80-L83 PolarHBondContact O-N 2.88Å; L80-S86 PolarHBondContact O-OG 3.29Å
81G81.7Confident83.6Confident3 Ų339.6 Ų39.63%0.03122%0.215CC..THydrogen-bonded Turntrans-70.8-18.3-178.500000117.5T77 N78 L79 L83 S86 T88T77-G81 PolarHBondContact O-N 3.05Å; T77-G81 VanDerWaalsContact O-N 3.13Å; N78-G81 WeakPolarHBondContact O-CA 3.5Å; N78-G81 PolarHBondContact O-N 3.28Å; N78-G81 VanDerWaalsContact O-N 3.07Å; L79-G81 PolarHBondContact O-N 2.63Å; G81-L83 VanDerWaalsContact C-N 3.31Å; G81-S86 PolarHBondContact O-OG 3.2Å; G81-T88 WeakPolarHBondContact O-CG2 2.94Å
82L83.5Confident83.4Confident42 Ų4241.7 Ų41.722%0.2223%0.225CC..THydrogen-bonded Turntrans-88-5.8176.7-61.5175.6000112.1N78 L79 L80 M166 E198 I199 A202N78-L82 PolarHBondContact O-N 3.31Å; L79-L82 PolarHBondContact O-N 2.92Å; L80-L82 VanDerWaalsContact C-N 3.28Å; L80-L82 PolarHBondContact O-N 3.42Å; L82-M166 HydrophobicContact CD2-CE 4.03Å; L82-E198 HydrophobicContact CD1-CB 4.49Å; L82-E198 HydrophobicContact CD1-CG 4.38Å; L82-E198 HydrophobicContact CD2-CB 4.17Å; L82-E198 HydrophobicContact CD2-CG 3.39Å; L82-I199 HydrophobicContact CD1-CB 4.21Å; L82-I199 HydrophobicContact CD1-CG1 3.62Å; L82-A202 HydrophobicContact CD1-CB 4.09Å
83L84.1Confident83Confident93 Ų9343.4 Ų43.449%0.48723%0.234SC..SBendtrans-66.6143.6175-65.4175.4000110.7L80 G81 H85 S86L80-L83 HydrophobicContact CG-CD1 4.15Å; L80-L83 WeakPolarHBondContact O-CB 3.34Å; L80-L83 WeakPolarHBondContact O-CG 3.31Å; L80-L83 PolarHBondContact O-N 2.88Å; G81-L83 VanDerWaalsContact C-N 3.31Å; L83-H85 PolarHBondContact O-N 3.48Å; L83-S86 PolarHBondContact O-N 3.13Å; L83-S86 PolarHBondContact O-OG 3.31Å; L83-S86 VanDerWaalsContact O-OG 3.04Å
84P77.8Confident82.8Confident110 Ų11044.9 Ų44.971%0.71425%0.25SS*.THydrogen-bonded Turntrans-59.9134.217925.1-33.5000110.6S86P84-S86 PolarHBondContact O-N 3.27Å
85H78.3Confident82.5Confident194 Ų19446.7 Ų46.790%0.89826%0.259SS*.THydrogen-bonded Turntrans60.515.1-179.8-56.2-68.9000116L83L83-H85 PolarHBondContact O-N 3.48Å
86S79.7Confident82.4Confident27 Ų2745.2 Ų45.219%0.18925%0.247CC..  trans-80.1139.1172.272.50000111L80 G81 L83 P84L80-S86 PolarHBondContact O-OG 3.29Å; G81-S86 PolarHBondContact O-OG 3.2Å; L83-S86 PolarHBondContact O-N 3.13Å; L83-S86 PolarHBondContact O-OG 3.31Å; L83-S86 VanDerWaalsContact O-OG 3.04Å; P84-S86 PolarHBondContact O-N 3.27Å
87F76.6Confident82Confident26 Ų2645.6 Ų45.611%0.11425%0.247CC..  trans-84.9126.4168.3171.5-93.1000109S3 P7 A15 I18 Q92S3-F87 WeakPolarHBondContact O-CD2 3.5Å; P7-F87 HydrophobicContact CG-CB 4.31Å; P7-F87 HydrophobicContact CG-CD1 3.98Å; P7-F87 HydrophobicContact CG-CD2 4.42Å; P7-F87 HydrophobicContact CG-CE1 4.44Å; P7-F87 HydrophobicContact CG-CG 3.97Å; A15-F87 HydrophobicContact CB-CE1 4.37Å; I18-F87 HydrophobicContact CD1-CB 4.03Å; I18-F87 HydrophobicContact CD1-CD1 3.77Å; I18-F87 HydrophobicContact CD1-CG 4.29Å; I18-F87 HydrophobicContact CG2-CD1 4.44Å; I18-F87 WeakPolarHBondContact CG2-O 3.42Å; F87-Q92 HydrophobicContact CZ-CG 4.33Å
88T76.8Confident81.9Confident2 Ų248.4 Ų48.41%0.01227%0.271CS..  trans-98.2113.9179.727.40000111.3G81 T90 T91 I159G81-T88 WeakPolarHBondContact O-CG2 2.94Å; T88-T90 PolarHBondContact O-N 2.97Å; T88-T91 PolarHBondContact O-N 3.08Å; T88-T91 PolarHBondContact O-OG1 3.29Å; T88-T91 WeakPolarHBondContact OG1-CG2 3.44Å; T88-I159 HydrophobicContact CG2-CG2 4.37Å
89P74.4Confident81.6Confident8 Ų849.6 Ų49.65%0.05228%0.277CS..G310 helixtrans-63.4-25.5174.826.1-32.9000112.2I19 T91 Q92 M95I19-P89 HydrophobicContact CD1-CB 4.23Å; I19-P89 HydrophobicContact CG1-CB 3.68Å; I19-P89 HydrophobicContact CG1-CG 3.99Å; P89-T91 VanDerWaalsContact C-N 3.26Å; P89-T91 PolarHBondContact O-N 3.43Å; P89-Q92 PolarHBondContact O-N 3.48Å; P89-M95 HydrophobicContact CB-CG 4.42Å; P89-M95 WeakPolarHBondContact O-CB 3.41Å
90T79.8Confident81.4Confident1 Ų145 Ų451%0.00625%0.253CS..G310 helixtrans-75-7.1179.352.90000114.5N78 T88 Q92 N96 I159N78-T90 WeakPolarHBondContact OD1-CG2 3.19Å; N78-T90 PolarHBondContact OD1-OG1 3.3Å; T88-T90 PolarHBondContact O-N 2.97Å; T90-Q92 VanDerWaalsContact C-N 3.33Å; T90-N96 PolarHBondContact O-ND2 3.45Å; T90-I159 VanDerWaalsContact OG1-CD1 3.32Å; T90-I159 WeakPolarHBondContact OG1-CD1 3.46Å
91T79.7Confident81.3Confident13 Ų1346.9 Ų46.98%0.0826%0.263CS..G310 helixtrans-76.2-25169.756.60000112.5F4 T88 P89 L93 I159 T160F4-T91 HydrophobicContact CD1-CG2 3.86Å; F4-T91 HydrophobicContact CE1-CG2 3.69Å; T88-T91 PolarHBondContact O-N 3.08Å; T88-T91 PolarHBondContact O-OG1 3.29Å; T88-T91 WeakPolarHBondContact OG1-CG2 3.44Å; P89-T91 VanDerWaalsContact C-N 3.26Å; P89-T91 PolarHBondContact O-N 3.43Å; T91-L93 PolarHBondContact O-N 3.37Å; T91-I159 HydrophobicContact CG2-CB 4.37Å; T91-I159 HydrophobicContact CG2-CG2 3.66Å; T91-T160 HydrophobicContact CG2-CG2 3.75Å
92Q84.4Confident81.5Confident61 Ų6150.6 Ų50.629%0.28529%0.286SS..SBendtrans-80.1121.1177.2-62.7-170.5-22.800109.7F87 P89 T90 S94 M95 N96F87-Q92 HydrophobicContact CZ-CG 4.33Å; P89-Q92 PolarHBondContact O-N 3.48Å; T90-Q92 VanDerWaalsContact C-N 3.33Å; Q92-S94 PolarHBondContact O-N 2.97Å; Q92-M95 PolarHBondContact O-N 3.33Å; Q92-M95 VanDerWaalsContact O-N 3.1Å; Q92-N96 PolarHBondContact O-N 2.94Å
93L81.3Confident81.5Confident70 Ų7049.7 Ų49.737%0.36628%0.281SS..Hα-helixtrans-57-33.6177.2-17764.4000112T91 M95 N96 L97 M149 A152 V153 T156T91-L93 PolarHBondContact O-N 3.37Å; L93-M95 VanDerWaalsContact C-N 3.32Å; L93-M95 PolarHBondContact O-N 3.27Å; L93-N96 PolarHBondContact O-N 3.33Å; L93-L97 WeakPolarHBondContact O-CB 2.91Å; L93-L97 PolarHBondContact O-N 3.21Å; L93-M149 HydrophobicContact CD2-CE 4.45Å; L93-A152 HydrophobicContact CD1-CB 4.5Å; L93-V153 HydrophobicContact CD1-CG2 3.9Å; L93-T156 VanDerWaalsContact CA-CG2 3.45Å; L93-T156 HydrophobicContact CB-CG2 4.03Å; L93-T156 HydrophobicContact CD1-CG2 4.01Å
94S84.4Confident81.4Confident79 Ų7947.2 Ų47.255%0.55227%0.266SS*.Hα-helixtrans-55.4-45176.352.60000112.5Q92 A98Q92-S94 PolarHBondContact O-N 2.97Å; S94-A98 WeakPolarHBondContact O-CB 3.34Å; S94-A98 PolarHBondContact O-N 3.02Å
95M83.5Confident81.6Confident39 Ų3943.3 Ų43.319%0.19224%0.242CC..Hα-helixtrans-68.1-46.8-178.5-176.156-17300111.3I19 F73 P89 Q92 L93 L97 A98 M99I19-M95 HydrophobicContact CD1-SD 4.38Å; I19-M95 HydrophobicContact CG2-CE 4.29Å; F73-M95 HydrophobicContact CE1-CE 4.09Å; F73-M95 HydrophobicContact CZ-CE 4.08Å; P89-M95 HydrophobicContact CB-CG 4.42Å; P89-M95 WeakPolarHBondContact O-CB 3.41Å; Q92-M95 PolarHBondContact O-N 3.33Å; Q92-M95 VanDerWaalsContact O-N 3.1Å; L93-M95 VanDerWaalsContact C-N 3.32Å; L93-M95 PolarHBondContact O-N 3.27Å; M95-L97 VanDerWaalsContact C-N 3.32Å; M95-L97 PolarHBondContact O-N 2.71Å; M95-A98 PolarHBondContact O-N 3.47Å; M95-M99 HydrophobicContact CE-CE 4.01Å; M95-M99 HydrophobicContact CE-CG 4.3Å; M95-M99 HydrophobicContact CE-SD 3.99Å; M95-M99 HydrophobicContact CG-CE 3.86Å; M95-M99 PolarHBondContact O-N 3.19Å
96N84.7Confident81.8Confident0 Ų035 Ų350%021%0.21CC..Hα-helixtrans-66.1-37.7-179.8-66.5-8.7000111.9T90 Q92 L93 M99 A100 A152 L155 T156T90-N96 PolarHBondContact O-ND2 3.45Å; Q92-N96 PolarHBondContact O-N 2.94Å; L93-N96 PolarHBondContact O-N 3.33Å; N96-M99 PolarHBondContact O-N 3.48Å; N96-A100 VanDerWaalsContact O-CB 3.32Å; N96-A100 WeakPolarHBondContact O-CB 3.42Å; N96-A100 PolarHBondContact O-N 3.01Å; N96-A152 HydrophobicContact CB-CB 4.04Å; N96-L155 HydrophobicContact CB-CD2 4.24Å; N96-L155 WeakPolarHBondContact ND2-CD2 3.43Å; N96-L155 WeakPolarHBondContact ND2-CG 3.41Å; N96-L155 WeakPolarHBondContact OD1-CD2 3.08Å; N96-T156 HydrophobicContact CB-CG2 4.29Å; N96-T156 WeakPolarHBondContact ND2-CG2 3.17Å; N96-T156 PolarHBondContact ND2-N 2.9Å
97L81.8Confident81.8Confident40 Ų4033.9 Ų33.921%0.20920%0.202CC..Hα-helixtrans-70.3-39.1177.3-163.967.5000111.6L93 M95 M99 A100 I101 M149 A152L93-L97 WeakPolarHBondContact O-CB 2.91Å; L93-L97 PolarHBondContact O-N 3.21Å; M95-L97 VanDerWaalsContact C-N 3.32Å; M95-L97 PolarHBondContact O-N 2.71Å; L97-M99 PolarHBondContact O-N 3.31Å; L97-A100 PolarHBondContact O-N 2.86Å; L97-I101 HydrophobicContact CD1-CD1 3.81Å; L97-I101 HydrophobicContact CD1-CG1 3.91Å; L97-I101 HydrophobicContact CD2-CD1 4Å; L97-I101 HydrophobicContact CG-CD1 3.52Å; L97-I101 HydrophobicContact CG-CG1 3.99Å; L97-I101 WeakPolarHBondContact O-CG1 3.28Å; L97-I101 PolarHBondContact O-N 3.47Å; L97-M149 HydrophobicContact CD1-CE 4.23Å; L97-M149 HydrophobicContact CD1-SD 3.37Å; L97-M149 WeakPolarHBondContact CD1-SD 3.2Å; L97-M149 HydrophobicContact CD2-CE 4.29Å; L97-M149 HydrophobicContact CD2-SD 4.2Å; L97-M149 HydrophobicContact CG-SD 4.45Å; L97-A152 HydrophobicContact CD1-CB 4.12Å
98A85.8Confident81.9Confident62 Ų6233.4 Ų33.451%0.51220%0.201SC..Hα-helixtrans-63-28.6173.500000112.9S94 M95 P102S94-A98 WeakPolarHBondContact O-CB 3.34Å; S94-A98 PolarHBondContact O-N 3.02Å; M95-A98 PolarHBondContact O-N 3.47Å; A98-P102 WeakPolarHBondContact O-CD 3.34Å; A98-P102 WeakPolarHBondContact O-CG 3.4Å
99M81.4Confident82.1Confident27 Ų2738 Ų3813%0.13323%0.225CC..Hα-helixtrans-79.7-44.9171.1-71-175.7-77.700112.4F73 M95 N96 L97 L103F73-M99 HydrophobicContact CD1-SD 3.94Å; F73-M99 HydrophobicContact CE1-CE 4.46Å; F73-M99 HydrophobicContact CE1-SD 3.55Å; F73-M99 VanDerWaalsContact CE1-SD 3.55Å; M95-M99 HydrophobicContact CE-CE 4.01Å; M95-M99 HydrophobicContact CE-CG 4.3Å; M95-M99 HydrophobicContact CE-SD 3.99Å; M95-M99 HydrophobicContact CG-CE 3.86Å; M95-M99 PolarHBondContact O-N 3.19Å; N96-M99 PolarHBondContact O-N 3.48Å; L97-M99 PolarHBondContact O-N 3.31Å; M99-L103 WeakPolarHBondContact O-CD1 3.4Å; M99-L103 WeakPolarHBondContact O-CG 3.44Å
100A82.7Confident82.1Confident3 Ų340.2 Ų40.23%0.02524%0.235CC..Hα-helixtrans-70.9-44.1-172.400000113.6N96 L97 L103 W104 A152 F209N96-A100 VanDerWaalsContact O-CB 3.32Å; N96-A100 WeakPolarHBondContact O-CB 3.42Å; N96-A100 PolarHBondContact O-N 3.01Å; L97-A100 PolarHBondContact O-N 2.86Å; A100-L103 PolarHBondContact O-N 2.95Å; A100-W104 WeakPolarHBondContact O-CB 3.48Å; A100-W104 PolarHBondContact O-N 3.37Å; A100-A152 HydrophobicContact CB-CB 4.14Å; A100-F209 HydrophobicContact CB-CE2 4.3Å; A100-F209 HydrophobicContact CB-CZ 4.18Å
101I84.4Confident81.7Confident85 Ų8540.2 Ų40.244%0.43624%0.235SC..Hα-helixtrans-62.6-50.2-175-66.2175.7000112L97 L103 W104 A105L97-I101 HydrophobicContact CD1-CD1 3.81Å; L97-I101 HydrophobicContact CD1-CG1 3.91Å; L97-I101 HydrophobicContact CD2-CD1 4Å; L97-I101 HydrophobicContact CG-CD1 3.52Å; L97-I101 HydrophobicContact CG-CG1 3.99Å; L97-I101 WeakPolarHBondContact O-CG1 3.28Å; L97-I101 PolarHBondContact O-N 3.47Å; I101-L103 VanDerWaalsContact C-N 3.35Å; I101-L103 PolarHBondContact O-N 3.45Å; I101-W104 PolarHBondContact O-N 3.06Å; I101-A105 WeakPolarHBondContact O-CB 3.43Å; I101-A105 PolarHBondContact O-N 2.97Å
102P85.8Confident81.4Confident81 Ų8143.5 Ų43.553%0.52625%0.248SC..Hα-helixtrans-65.1-37.1-178.3-23.836.4000113.1A98 G106A98-P102 WeakPolarHBondContact O-CD 3.34Å; A98-P102 WeakPolarHBondContact O-CG 3.4Å; P102-G106 PolarHBondContact O-N 3.5Å
103L83.9Confident80.7Confident23 Ų2350.9 Ų50.912%0.1227%0.274CS..Hα-helixtrans-65.6-46.8178.1-72.6167.2000111.5M66 L70 M99 A100 I101 G106 A107 F209M66-L103 HydrophobicContact CE-CD2 3.33Å; M66-L103 HydrophobicContact CG-CD2 4.42Å; M66-L103 HydrophobicContact SD-CD2 3.56Å; M66-L103 VanDerWaalsContact SD-CD2 3.56Å; L70-L103 HydrophobicContact CD1-CD1 3.35Å; L70-L103 HydrophobicContact CD2-CD1 3.86Å; L70-L103 HydrophobicContact CG-CD1 4.24Å; M99-L103 WeakPolarHBondContact O-CD1 3.4Å; M99-L103 WeakPolarHBondContact O-CG 3.44Å; A100-L103 PolarHBondContact O-N 2.95Å; I101-L103 VanDerWaalsContact C-N 3.35Å; I101-L103 PolarHBondContact O-N 3.45Å; L103-G106 PolarHBondContact O-N 3.35Å; L103-A107 PolarHBondContact O-N 2.92Å; L103-A107 VanDerWaalsContact O-N 3.09Å; L103-F209 HydrophobicContact CD1-CE1 4.04Å; L103-F209 HydrophobicContact CD1-CZ 4.43Å
104W82.9Confident80Confident41 Ų4149.7 Ų49.716%0.15527%0.271CS..Hα-helixtrans-63.9-47.1175.8173.590.9000111.5A100 I101 G106 A107 V108 L144 L145 P148A100-W104 WeakPolarHBondContact O-CB 3.48Å; A100-W104 PolarHBondContact O-N 3.37Å; I101-W104 PolarHBondContact O-N 3.06Å; W104-G106 VanDerWaalsContact C-N 3.29Å; W104-G106 PolarHBondContact O-N 2.68Å; W104-A107 PolarHBondContact O-N 3.49Å; W104-A107 VanDerWaalsContact O-N 3.15Å; W104-V108 HydrophobicContact CD2-CG2 4.03Å; W104-V108 HydrophobicContact CH2-CG2 4.29Å; W104-V108 HydrophobicContact CZ2-CG2 3.86Å; W104-V108 WeakPolarHBondContact O-CG2 3.2Å; W104-V108 PolarHBondContact O-N 3.13Å; W104-L144 HydrophobicContact CH2-CD2 4.16Å; W104-L144 HydrophobicContact CZ2-CD2 3.44Å; W104-L144 VanDerWaalsContact CZ2-CD2 3.44Å; W104-L144 HydrophobicContact CZ2-CG 3.98Å; W104-L144 WeakPolarHBondContact CZ2-O 3.34Å; W104-L144 PolarHBondContact NE1-O 3.25Å; W104-L144 VanDerWaalsContact NE1-O 3.17Å; W104-L145 HydrophobicContact CH2-CD2 3.55Å; W104-L145 HydrophobicContact CZ2-CD2 4.06Å; W104-L145 HydrophobicContact CZ3-CD2 4.37Å; W104-P148 HydrophobicContact CB-CB 3.88Å; W104-P148 HydrophobicContact CB-CG 4.34Å; W104-P148 HydrophobicContact CD2-CB 4.37Å; W104-P148 HydrophobicContact CD2-CG 3.85Å; W104-P148 HydrophobicContact CG-CB 3.77Å; W104-P148 HydrophobicContact CG-CG 3.72Å
105A82.1Confident79Confident27 Ų2750.7 Ų50.722%0.22327%0.265CS..Hα-helixtrans-60.9-40.8179.100000110.9I101 V108 I109I101-A105 WeakPolarHBondContact O-CB 3.43Å; I101-A105 PolarHBondContact O-N 2.97Å; A105-V108 PolarHBondContact O-N 3.11Å; A105-I109 VanDerWaalsContact O-CB 3.3Å; A105-I109 WeakPolarHBondContact O-CB 3.26Å; A105-I109 WeakPolarHBondContact O-CD1 3.11Å; A105-I109 WeakPolarHBondContact O-CG1 3.47Å; A105-I109 PolarHBondContact O-N 2.79Å
106G82.3Confident77.9Confident21 Ų2153.9 Ų53.922%0.21628%0.282CS..Hα-helixtrans-59.4-45.7174.400000113P102 L103 W104 M110P102-G106 PolarHBondContact O-N 3.5Å; L103-G106 PolarHBondContact O-N 3.35Å; W104-G106 VanDerWaalsContact C-N 3.29Å; W104-G106 PolarHBondContact O-N 2.68Å; G106-M110 VanDerWaalsContact O-CB 3.3Å; G106-M110 WeakPolarHBondContact O-CB 3.38Å; G106-M110 PolarHBondContact O-N 3.15Å
107A78.4Confident76.5Confident2 Ų262.9 Ų62.92%0.01732%0.321CS..Hα-helixtrans-62.8-45.9177.100000111.9L103 W104 M110 G111 L217L103-A107 PolarHBondContact O-N 2.92Å; L103-A107 VanDerWaalsContact O-N 3.09Å; W104-A107 PolarHBondContact O-N 3.49Å; W104-A107 VanDerWaalsContact O-N 3.15Å; A107-M110 PolarHBondContact O-N 3.04Å; A107-G111 PolarHBondContact O-N 3.48Å; A107-L217 HydrophobicContact CB-CD1 4.5Å
108V78.8Confident75.6Confident17 Ų1765.9 Ų65.910%0.10334%0.337CS..Hα-helixtrans-65.1-47.2179.3172.60000111.5W104 A105 M110 G111 F112 L144W104-V108 HydrophobicContact CD2-CG2 4.03Å; W104-V108 HydrophobicContact CH2-CG2 4.29Å; W104-V108 HydrophobicContact CZ2-CG2 3.86Å; W104-V108 WeakPolarHBondContact O-CG2 3.2Å; W104-V108 PolarHBondContact O-N 3.13Å; A105-V108 PolarHBondContact O-N 3.11Å; V108-M110 VanDerWaalsContact C-N 3.27Å; V108-M110 PolarHBondContact O-N 3.38Å; V108-G111 PolarHBondContact O-N 3.32Å; V108-G111 VanDerWaalsContact O-N 3.13Å; V108-F112 HydrophobicContact CG1-CD2 3.64Å; V108-F112 HydrophobicContact CG1-CE2 3.38Å; V108-F112 WeakPolarHBondContact O-CD2 3.09Å; V108-F112 PolarHBondContact O-N 3.29Å; V108-L144 HydrophobicContact CG2-CD2 4.5Å
109I81.1Confident74.3Confident99 Ų9963.8 Ų63.851%0.50832%0.32SS..Hα-helixtrans-60.3-39.9177.1-68.6163.6000110.5A105 G111 F112 R113A105-I109 VanDerWaalsContact O-CB 3.3Å; A105-I109 WeakPolarHBondContact O-CB 3.26Å; A105-I109 WeakPolarHBondContact O-CD1 3.11Å; A105-I109 WeakPolarHBondContact O-CG1 3.47Å; A105-I109 PolarHBondContact O-N 2.79Å; I109-G111 VanDerWaalsContact C-N 3.35Å; I109-F112 PolarHBondContact O-N 3.34Å; I109-R113 HydrophobicContact CG2-CG 4.49Å; I109-R113 WeakPolarHBondContact O-CB 3.3Å; I109-R113 VanDerWaalsContact O-CG 3.31Å; I109-R113 WeakPolarHBondContact O-CG 3.38Å; I109-R113 PolarHBondContact O-N 3.19Å
110M75.6Confident73.3Confident54 Ų5467 Ų6727%0.26634%0.338SS..Hα-helixtrans-66.8-36.4177.2-170.1150.7179.600112.3W63 G106 A107 V108 R113 S114W63-M110 HydrophobicContact CZ2-SD 3.7Å; W63-M110 PolarHBondContact NE1-SD 3.17Å; G106-M110 VanDerWaalsContact O-CB 3.3Å; G106-M110 WeakPolarHBondContact O-CB 3.38Å; G106-M110 PolarHBondContact O-N 3.15Å; A107-M110 PolarHBondContact O-N 3.04Å; V108-M110 VanDerWaalsContact C-N 3.27Å; V108-M110 PolarHBondContact O-N 3.38Å; M110-R113 PolarHBondContact O-N 3.43Å; M110-S114 WeakPolarHBondContact O-CB 3.22Å; M110-S114 PolarHBondContact O-N 2.82Å; M110-S114 PolarHBondContact O-OG 3.4Å
111G71.3Confident72.2Confident1 Ų169.2 Ų69.21%0.0136%0.356CS..Hα-helixtrans-62.6-48.2172.700000113.4A107 V108 I109 R113 S114 K115 N220A107-G111 PolarHBondContact O-N 3.48Å; V108-G111 PolarHBondContact O-N 3.32Å; V108-G111 VanDerWaalsContact O-N 3.13Å; I109-G111 VanDerWaalsContact C-N 3.35Å; G111-R113 VanDerWaalsContact C-N 3.29Å; G111-R113 PolarHBondContact O-N 3.47Å; G111-S114 PolarHBondContact O-N 3.33Å; G111-S114 PolarHBondContact O-OG 2.92Å; G111-K115 PolarHBondContact O-N 3.22Å; G111-N220 VanDerWaalsContact CA-O 3.31Å; G111-N220 WeakPolarHBondContact CA-O 3.36Å
112F72.4Confident71Confident82 Ų8270.6 Ų70.636%0.3636%0.36SS..Hα-helixtrans-60.5-39.1174.5-78.1-65.5000111.9V108 I109 I116 A119 L120 F123V108-F112 HydrophobicContact CG1-CD2 3.64Å; V108-F112 HydrophobicContact CG1-CE2 3.38Å; V108-F112 WeakPolarHBondContact O-CD2 3.09Å; V108-F112 PolarHBondContact O-N 3.29Å; I109-F112 PolarHBondContact O-N 3.34Å; F112-I116 WeakPolarHBondContact O-CG1 3.36Å; F112-A119 HydrophobicContact CD1-CB 4.41Å; F112-A119 HydrophobicContact CE1-CB 4.49Å; F112-L120 HydrophobicContact CD1-CD1 4.29Å; F112-L120 HydrophobicContact CE1-CD1 3.84Å; F112-F123 HydrophobicContact CZ-CE2 4.45Å
113R70.9Confident69.7Low216 Ų21668.4 Ų68.482%0.81534%0.342SS*.Hα-helixtrans-71.6-32.5178.1-73179.668.9-167.21.7113.6I109 M110 G111I109-R113 HydrophobicContact CG2-CG 4.49Å; I109-R113 WeakPolarHBondContact O-CB 3.3Å; I109-R113 VanDerWaalsContact O-CG 3.31Å; I109-R113 WeakPolarHBondContact O-CG 3.38Å; I109-R113 PolarHBondContact O-N 3.19Å; M110-R113 PolarHBondContact O-N 3.43Å; G111-R113 VanDerWaalsContact C-N 3.29Å; G111-R113 PolarHBondContact O-N 3.47Å
114S65.3Low68.3Low45 Ų4570 Ų7032%0.31535%0.351SS..Hα-helixtrans-83.2-44.4-173.8790000112.3M110 G111 N220M110-S114 WeakPolarHBondContact O-CB 3.22Å; M110-S114 PolarHBondContact O-N 2.82Å; M110-S114 PolarHBondContact O-OG 3.4Å; G111-S114 PolarHBondContact O-N 3.33Å; G111-S114 PolarHBondContact O-OG 2.92Å; S114-N220 PolarHBondContact OG-O 2.8Å
115K64.4Low67Low99 Ų9971.4 Ų71.443%0.4337%0.365SS..  trans-150.875.8-174.4-68.9176.2-178.6156.20111.2G111 K117 N118 A119 T221G111-K115 PolarHBondContact O-N 3.22Å; K115-K117 PolarHBondContact O-N 2.69Å; K115-K117 VanDerWaalsContact O-N 3.16Å; K115-N118 HydrophobicContact CB-CB 3.91Å; K115-N118 HydrophobicContact CD-CB 4.19Å; K115-N118 PolarHBondContact O-N 3.05Å; K115-N118 VanDerWaalsContact O-N 3.12Å; K115-A119 WeakPolarHBondContact O-CB 3.2Å; K115-A119 PolarHBondContact O-N 3.29Å; K115-T221 WeakPolarHBondContact CE-O 3.42Å; K115-T221 PolarHBondContact NZ-O 3.49Å
116I60.2Low65.8Low107 Ų10779.7 Ų79.755%0.54940%0.399SS..Hα-helixtrans-48-46.9176.3-59.6170.7000111.7F112 N118 L120F112-I116 WeakPolarHBondContact O-CG1 3.36Å; I116-N118 PolarHBondContact O-N 3.14Å; I116-L120 HydrophobicContact CG2-CD1 3.95Å; I116-L120 WeakPolarHBondContact O-CB 3.37Å; I116-L120 WeakPolarHBondContact O-CD1 3.3Å; I116-L120 PolarHBondContact O-N 2.84Å
117K55.8Low64.6Low189 Ų18982.6 Ų82.682%0.82243%0.429SS*.Hα-helixtrans-68.3-36.1-176-64.3-175.5-179.9-177.10113.5K115 A121K115-K117 PolarHBondContact O-N 2.69Å; K115-K117 VanDerWaalsContact O-N 3.16Å; K117-A121 VanDerWaalsContact O-CB 3.29Å; K117-A121 WeakPolarHBondContact O-CB 3.49Å; K117-A121 PolarHBondContact O-N 3.19Å
118N62.6Low64Low102 Ų10284.2 Ų84.255%0.54544%0.439SS..Hα-helixtrans-81.4-35.3-177.9-142.863.6000111.3K115 I116 A121 H122K115-N118 HydrophobicContact CB-CB 3.91Å; K115-N118 HydrophobicContact CD-CB 4.19Å; K115-N118 PolarHBondContact O-N 3.05Å; K115-N118 VanDerWaalsContact O-N 3.12Å; I116-N118 PolarHBondContact O-N 3.14Å; N118-A121 PolarHBondContact O-N 2.91Å; N118-H122 PolarHBondContact O-N 2.91Å
119A58.6Low63.5Low18 Ų1887 Ų8715%0.14946%0.457CS..Hα-helixtrans-63.1-42.4171.700000111.4F112 K115 H122F112-A119 HydrophobicContact CD1-CB 4.41Å; F112-A119 HydrophobicContact CE1-CB 4.49Å; K115-A119 WeakPolarHBondContact O-CB 3.2Å; K115-A119 PolarHBondContact O-N 3.29Å; A119-H122 PolarHBondContact O-N 2.86Å
120L59.4Low63Low96 Ų9688 Ų8850%0.50347%0.468SS..Hα-helixtrans-69.7-32.8173.9-91.281000113F112 I116 H122 F123F112-L120 HydrophobicContact CD1-CD1 4.29Å; F112-L120 HydrophobicContact CE1-CD1 3.84Å; I116-L120 HydrophobicContact CG2-CD1 3.95Å; I116-L120 WeakPolarHBondContact O-CB 3.37Å; I116-L120 WeakPolarHBondContact O-CD1 3.3Å; I116-L120 PolarHBondContact O-N 2.84Å; L120-H122 VanDerWaalsContact C-N 3.29Å; L120-H122 PolarHBondContact O-N 3.29Å; L120-F123 PolarHBondContact O-N 3.3Å
121A58.8Low63.2Low49 Ų4990.2 Ų90.241%0.40549%0.487SS..Hα-helixtrans-68.3-27.6176.300000112.7K117 N118 F123 L124K117-A121 VanDerWaalsContact O-CB 3.29Å; K117-A121 WeakPolarHBondContact O-CB 3.49Å; K117-A121 PolarHBondContact O-N 3.19Å; N118-A121 PolarHBondContact O-N 2.91Å; A121-F123 PolarHBondContact O-N 3.21Å; A121-L124 CarbonylContact O-C 3.58Å; A121-L124 PolarHBondContact O-N 3.11Å
122H60.6Low63.4Low114 Ų11495.2 Ų95.253%0.52851%0.512SS..Hα-helixtrans-68.5-20176-152.4-57.2000113N118 A119 L120 L124N118-H122 PolarHBondContact O-N 2.91Å; A119-H122 PolarHBondContact O-N 2.86Å; L120-H122 VanDerWaalsContact C-N 3.29Å; L120-H122 PolarHBondContact O-N 3.29Å; H122-L124 PolarHBondContact O-N 2.84Å
123F58.5Low63.6Low35 Ų3593.7 Ų93.715%0.15451%0.508CS..THydrogen-bonded Turntrans-69.2-13.1170.8-69.8-58.7000113F112 L120 A121 L136 E140 T141F112-F123 HydrophobicContact CZ-CE2 4.45Å; L120-F123 PolarHBondContact O-N 3.3Å; A121-F123 PolarHBondContact O-N 3.21Å; F123-L136 WeakPolarHBondContact O-CD2 3.31Å; F123-E140 HydrophobicContact CD1-CB 4.19Å; F123-E140 HydrophobicContact CD1-CG 3.84Å; F123-T141 HydrophobicContact CD1-CG2 4.02Å; F123-T141 HydrophobicContact CE1-CG2 3.73Å; F123-T141 HydrophobicContact CZ-CG2 4.2Å
124L54.3Low63.8Low57 Ų5787.3 Ų87.330%0.29849%0.494SS..SBendtrans-128.2105.6-178.4-130.477.2000111.5A121 H122 Q126 I133 V137A121-L124 CarbonylContact O-C 3.58Å; A121-L124 PolarHBondContact O-N 3.11Å; H122-L124 PolarHBondContact O-N 2.84Å; L124-Q126 PolarHBondContact O-N 3.24Å; L124-I133 HydrophobicContact CD1-CG2 3.75Å; L124-I133 HydrophobicContact CD2-CD1 4.1Å; L124-I133 HydrophobicContact CD2-CG1 4.17Å; L124-I133 HydrophobicContact CD2-CG2 4Å; L124-I133 HydrophobicContact CG-CG2 4.47Å; L124-V137 HydrophobicContact CD1-CG2 3.33Å
125P55.5Low64.5Low70 Ų7090.7 Ų90.746%0.45551%0.507SS..  trans-60.9134.6169.121.3-24.5000109.2G127 T128 L136P125-G127 PolarHBondContact O-N 3.04Å; P125-T128 HydrophobicContact CG-CG2 3.82Å; P125-T128 PolarHBondContact O-OG1 3.3Å; P125-L136 HydrophobicContact CG-CD1 4.01Å; P125-L136 HydrophobicContact CG-CD2 4.01Å
126Q56.4Low65.3Low201 Ų20188.3 Ų88.394%0.93950%0.498SS*.THydrogen-bonded Turntrans-64.2130.1-177.8-61.7-151.7-0.900110.2L124L124-Q126 PolarHBondContact O-N 3.24Å
127G58.4Low66.1Low82 Ų8285.5 Ų85.585%0.84549%0.486SS*.THydrogen-bonded Turntrans99.613.4178.300000115.9P125P125-G127 PolarHBondContact O-N 3.04Å
128T64.9Low67.4Low35 Ų3580.8 Ų80.822%0.21547%0.469CS..  trans-76.1135175.246.30000112.2P125 L136P125-T128 HydrophobicContact CG-CG2 3.82Å; P125-T128 PolarHBondContact O-OG1 3.3Å; T128-L136 HydrophobicContact CG2-CD1 4Å
129P67.3Low68.4Low76 Ų7680.4 Ų80.449%0.49447%0.466SS..  trans-67.4139178.128.5-34.4000110.4P131 L132P129-P131 VanDerWaalsContact C-N 3.34Å; P129-P131 WeakPolarHBondContact O-CD 3.47Å; P129-P131 VanDerWaalsContact O-N 3.08Å; P129-L132 HydrophobicContact CG-CB 4.42Å; P129-L132 HydrophobicContact CG-CD1 3.74Å; P129-L132 HydrophobicContact CG-CG 4.24Å; P129-L132 PolarHBondContact O-N 3.41Å
130T72.2Confident69.4Low119 Ų11982.7 Ų82.773%0.7347%0.473SS*.THydrogen-bonded Turntrans-48.8-33.9-170.847.40000117.2I133T130-I133 HydrophobicContact CG2-CD1 4.4Å
131P79.2Confident70.4Confident102 Ų10280.4 Ų80.466%0.66246%0.464SS*.THydrogen-bonded Turntrans-77.6-20.8178.328.5-35.3000114.8P129 P134P129-P131 VanDerWaalsContact C-N 3.34Å; P129-P131 WeakPolarHBondContact O-CD 3.47Å; P129-P131 VanDerWaalsContact O-N 3.08Å; P131-P134 WeakPolarHBondContact O-CD 3.3Å
132L75.4Confident71.5Confident105 Ų10582.1 Ų82.155%0.5547%0.465SS..THydrogen-bonded Turntrans-88.5-12.4-178.4-67.1176.6000113.3P129 M135 L136P129-L132 HydrophobicContact CG-CB 4.42Å; P129-L132 HydrophobicContact CG-CD1 3.74Å; P129-L132 HydrophobicContact CG-CG 4.24Å; P129-L132 PolarHBondContact O-N 3.41Å; L132-M135 PolarHBondContact O-N 2.72Å; L132-L136 PolarHBondContact O-N 3.17Å; L132-L136 VanDerWaalsContact O-N 3.14Å
133I75.9Confident72.5Confident50 Ų5079.2 Ų79.226%0.25646%0.458SS..Hα-helixtrans-52.8-49.3-178.4-68178.4000112.5L124 T130 M135 L136 V137L124-I133 HydrophobicContact CD1-CG2 3.75Å; L124-I133 HydrophobicContact CD2-CD1 4.1Å; L124-I133 HydrophobicContact CD2-CG1 4.17Å; L124-I133 HydrophobicContact CD2-CG2 4Å; L124-I133 HydrophobicContact CG-CG2 4.47Å; T130-I133 HydrophobicContact CG2-CD1 4.4Å; I133-M135 VanDerWaalsContact C-N 3.35Å; I133-M135 PolarHBondContact O-N 3.25Å; I133-L136 PolarHBondContact O-N 3.01Å; I133-V137 WeakPolarHBondContact O-CG2 3.44Å; I133-V137 PolarHBondContact O-N 3.08Å
134P75.4Confident73.4Confident83 Ų8379.6 Ų79.654%0.53946%0.461SS..Hα-helixtrans-65.9-37.3-175-19.733000112.8P131 I138P131-P134 WeakPolarHBondContact O-CD 3.3Å; P134-I138 WeakPolarHBondContact O-CG1 3.46Å; P134-I138 PolarHBondContact O-N 3.17Å
135M79.6Confident74.6Confident116 Ų11681.9 Ų81.957%0.57147%0.473SS*.Hα-helixtrans-69.4-40.8179.3-173.464.1-172.300111.5L132 I133 I138 I139L132-M135 PolarHBondContact O-N 2.72Å; I133-M135 VanDerWaalsContact C-N 3.35Å; I133-M135 PolarHBondContact O-N 3.25Å; M135-I138 PolarHBondContact O-N 3Å; M135-I139 HydrophobicContact CE-CD1 3.97Å; M135-I139 HydrophobicContact CE-CG1 4.2Å; M135-I139 HydrophobicContact CG-CD1 4.11Å; M135-I139 WeakPolarHBondContact O-CG1 3.28Å; M135-I139 PolarHBondContact O-N 2.95Å; M135-I139 VanDerWaalsContact O-N 3.11Å
136L82Confident75.9Confident49 Ų4983.3 Ų83.326%0.25748%0.476SS..Hα-helixtrans-67.4-39.3-178.2-169.7146.9000112.1F123 P125 T128 L132 I133 I138 I139 E140F123-L136 WeakPolarHBondContact O-CD2 3.31Å; P125-L136 HydrophobicContact CG-CD1 4.01Å; P125-L136 HydrophobicContact CG-CD2 4.01Å; T128-L136 HydrophobicContact CG2-CD1 4Å; L132-L136 PolarHBondContact O-N 3.17Å; L132-L136 VanDerWaalsContact O-N 3.14Å; I133-L136 PolarHBondContact O-N 3.01Å; L136-I138 VanDerWaalsContact C-N 3.3Å; L136-I138 PolarHBondContact O-N 3.01Å; L136-I139 PolarHBondContact O-N 3.35Å; L136-E140 WeakPolarHBondContact O-CB 3.37Å; L136-E140 PolarHBondContact O-N 3.27Å
137V78Confident77Confident47 Ų4777.2 Ų77.229%0.28545%0.447SS..Hα-helixtrans-61.2-40.4175.31750000111.3L124 I133 E140 T141L124-V137 HydrophobicContact CD1-CG2 3.33Å; I133-V137 WeakPolarHBondContact O-CG2 3.44Å; I133-V137 PolarHBondContact O-N 3.08Å; V137-E140 PolarHBondContact O-N 2.93Å; V137-T141 HydrophobicContact CG1-CG2 4.37Å; V137-T141 WeakPolarHBondContact O-CB 3.42Å; V137-T141 VanDerWaalsContact O-CG2 3.25Å; V137-T141 WeakPolarHBondContact O-CG2 3.33Å; V137-T141 PolarHBondContact O-N 2.95Å; V137-T141 PolarHBondContact O-OG1 3.49Å
138I81.8Confident77.8Confident91 Ų9173.9 Ų73.947%0.46741%0.411SS..Hα-helixtrans-64-43.6176.8-66.1166.9000110.6P134 M135 L136 T141 I142P134-I138 WeakPolarHBondContact O-CG1 3.46Å; P134-I138 PolarHBondContact O-N 3.17Å; M135-I138 PolarHBondContact O-N 3Å; L136-I138 VanDerWaalsContact C-N 3.3Å; L136-I138 PolarHBondContact O-N 3.01Å; I138-T141 WeakPolarHBondContact CA-OG1 3.44Å; I138-T141 PolarHBondContact O-OG1 2.77Å; I138-I142 HydrophobicContact CG2-CD1 3.8Å; I138-I142 WeakPolarHBondContact O-CD1 3.32Å; I138-I142 VanDerWaalsContact O-CG1 3.23Å; I138-I142 WeakPolarHBondContact O-CG1 3.45Å; I138-I142 PolarHBondContact O-N 3.32Å; I138-I142 VanDerWaalsContact O-N 3.08Å
139I83.3Confident78.5Confident93 Ų9376.1 Ų76.148%0.47742%0.42SS..Hα-helixtrans-65.6-43.5179.1-64.3165.5000111M135 L136 I142 S143M135-I139 HydrophobicContact CE-CD1 3.97Å; M135-I139 HydrophobicContact CE-CG1 4.2Å; M135-I139 HydrophobicContact CG-CD1 4.11Å; M135-I139 WeakPolarHBondContact O-CG1 3.28Å; M135-I139 PolarHBondContact O-N 2.95Å; M135-I139 VanDerWaalsContact O-N 3.11Å; L136-I139 PolarHBondContact O-N 3.35Å; I139-I142 PolarHBondContact O-N 3.03Å; I139-S143 WeakPolarHBondContact O-CB 3.45Å; I139-S143 PolarHBondContact O-N 2.97Å
140E81.4Confident79.2Confident66 Ų6674.4 Ų74.431%0.30841%0.412SS..Hα-helixtrans-66.9-39.8-178.8-167.461.7-159.300111.8F123 L136 V137 I142 S143 L144F123-E140 HydrophobicContact CD1-CB 4.19Å; F123-E140 HydrophobicContact CD1-CG 3.84Å; L136-E140 WeakPolarHBondContact O-CB 3.37Å; L136-E140 PolarHBondContact O-N 3.27Å; V137-E140 PolarHBondContact O-N 2.93Å; E140-I142 VanDerWaalsContact C-N 3.34Å; E140-I142 PolarHBondContact O-N 3.5Å; E140-S143 WeakPolarHBondContact O-CB 3.28Å; E140-S143 PolarHBondContact O-N 2.99Å; E140-L144 WeakPolarHBondContact O-CB 3.46Å; E140-L144 PolarHBondContact O-N 3.18Å
141T78.8Confident79.3Confident49 Ų4969.2 Ų69.230%0.30138%0.38SS..Hα-helixtrans-63.6-38.9174.151.90000112.2F123 V137 I138 L145F123-T141 HydrophobicContact CD1-CG2 4.02Å; F123-T141 HydrophobicContact CE1-CG2 3.73Å; F123-T141 HydrophobicContact CZ-CG2 4.2Å; V137-T141 HydrophobicContact CG1-CG2 4.37Å; V137-T141 WeakPolarHBondContact O-CB 3.42Å; V137-T141 VanDerWaalsContact O-CG2 3.25Å; V137-T141 WeakPolarHBondContact O-CG2 3.33Å; V137-T141 PolarHBondContact O-N 2.95Å; V137-T141 PolarHBondContact O-OG1 3.49Å; I138-T141 WeakPolarHBondContact CA-OG1 3.44Å; I138-T141 PolarHBondContact O-OG1 2.77Å; T141-L145 WeakPolarHBondContact O-CG 3.32Å; T141-L145 PolarHBondContact O-N 3.38Å
142I83.1Confident79.3Confident84 Ų8464.4 Ų64.443%0.43135%0.348SS..Hα-helixtrans-67-43.5173.8-68.2166.9000110.9I138 I139 E140 L144 L145 I146I138-I142 HydrophobicContact CG2-CD1 3.8Å; I138-I142 WeakPolarHBondContact O-CD1 3.32Å; I138-I142 VanDerWaalsContact O-CG1 3.23Å; I138-I142 WeakPolarHBondContact O-CG1 3.45Å; I138-I142 PolarHBondContact O-N 3.32Å; I138-I142 VanDerWaalsContact O-N 3.08Å; I139-I142 PolarHBondContact O-N 3.03Å; E140-I142 VanDerWaalsContact C-N 3.34Å; E140-I142 PolarHBondContact O-N 3.5Å; I142-L144 VanDerWaalsContact C-N 3.34Å; I142-L144 PolarHBondContact O-N 2.89Å; I142-L145 PolarHBondContact O-N 3.48Å; I142-L145 VanDerWaalsContact O-N 3.16Å; I142-I146 HydrophobicContact CG2-CD1 3.46Å; I142-I146 VanDerWaalsContact CG2-CD1 3.46Å; I142-I146 HydrophobicContact CG2-CG1 4.1Å; I142-I146 WeakPolarHBondContact O-CG1 3.05Å; I142-I146 PolarHBondContact O-N 3.47Å
143S80.6Confident79.7Confident54 Ų5462.3 Ų62.338%0.37834%0.34SS..Hα-helixtrans-57.6-46.8177.8-1760000111.6I139 E140 L145 I146 Q147I139-S143 WeakPolarHBondContact O-CB 3.45Å; I139-S143 PolarHBondContact O-N 2.97Å; E140-S143 WeakPolarHBondContact O-CB 3.28Å; E140-S143 PolarHBondContact O-N 2.99Å; S143-L145 VanDerWaalsContact C-N 3.26Å; S143-L145 PolarHBondContact O-N 3.13Å; S143-I146 PolarHBondContact O-N 3.3Å; S143-Q147 WeakPolarHBondContact O-CB 2.94Å; S143-Q147 PolarHBondContact O-N 3.42Å; S143-Q147 VanDerWaalsContact O-N 3.12Å
144L79Confident80.1Confident42 Ų4264.8 Ų64.822%0.2235%0.346CS..Hα-helixtrans-59.6-34.7177.8-172.9120.4000112.4W104 V108 E140 I142 P148W104-L144 HydrophobicContact CH2-CD2 4.16Å; W104-L144 HydrophobicContact CZ2-CD2 3.44Å; W104-L144 VanDerWaalsContact CZ2-CD2 3.44Å; W104-L144 HydrophobicContact CZ2-CG 3.98Å; W104-L144 WeakPolarHBondContact CZ2-O 3.34Å; W104-L144 PolarHBondContact NE1-O 3.25Å; W104-L144 VanDerWaalsContact NE1-O 3.17Å; V108-L144 HydrophobicContact CG2-CD2 4.5Å; E140-L144 WeakPolarHBondContact O-CB 3.46Å; E140-L144 PolarHBondContact O-N 3.18Å; I142-L144 VanDerWaalsContact C-N 3.34Å; I142-L144 PolarHBondContact O-N 2.89Å; L144-P148 VanDerWaalsContact O-CD 3.28Å; L144-P148 WeakPolarHBondContact O-CD 3.15Å
145L78.9Confident80.2Confident105 Ų10560.9 Ų60.955%0.5532%0.32SS..Hα-helixtrans-79.9-36.9177-72.2171.8000113.7W104 T141 I142 S143 Q147 P148W104-L145 HydrophobicContact CH2-CD2 3.55Å; W104-L145 HydrophobicContact CZ2-CD2 4.06Å; W104-L145 HydrophobicContact CZ3-CD2 4.37Å; T141-L145 WeakPolarHBondContact O-CG 3.32Å; T141-L145 PolarHBondContact O-N 3.38Å; I142-L145 PolarHBondContact O-N 3.48Å; I142-L145 VanDerWaalsContact O-N 3.16Å; S143-L145 VanDerWaalsContact C-N 3.26Å; S143-L145 PolarHBondContact O-N 3.13Å; L145-Q147 VanDerWaalsContact C-N 3.35Å; L145-P148 WeakPolarHBondContact O-CD 3.23Å; L145-P148 WeakPolarHBondContact O-CG 3.41Å
146I82.3Confident80.3Confident100 Ų10056 Ų5651%0.51330%0.297SS..Hα-helixtrans-70.5-34.1-178.7-70.8173.5000111.1I142 S143 M149 A150I142-I146 HydrophobicContact CG2-CD1 3.46Å; I142-I146 VanDerWaalsContact CG2-CD1 3.46Å; I142-I146 HydrophobicContact CG2-CG1 4.1Å; I142-I146 WeakPolarHBondContact O-CG1 3.05Å; I142-I146 PolarHBondContact O-N 3.47Å; S143-I146 PolarHBondContact O-N 3.3Å; I146-M149 CarbonylContact O-C 3.6Å; I146-M149 WeakPolarHBondContact O-CA 3.34Å; I146-M149 WeakPolarHBondContact O-CB 3.3Å; I146-M149 PolarHBondContact O-N 3.47Å; I146-M149 VanDerWaalsContact O-N 3.11Å; I146-A150 HydrophobicContact CG2-CB 4.46Å; I146-A150 WeakPolarHBondContact O-CB 3.32Å; I146-A150 PolarHBondContact O-N 3.36Å
147Q80.3Confident80.2Confident73 Ų7355.6 Ų55.634%0.34130%0.301SS..Hα-helixtrans-61.5-42.7-171.4-160.7175.71.800115.1S143 L145 M149 A150 L151 Y216S143-Q147 WeakPolarHBondContact O-CB 2.94Å; S143-Q147 PolarHBondContact O-N 3.42Å; S143-Q147 VanDerWaalsContact O-N 3.12Å; L145-Q147 VanDerWaalsContact C-N 3.35Å; Q147-M149 VanDerWaalsContact C-N 3.34Å; Q147-A150 PolarHBondContact O-N 2.91Å; Q147-L151 WeakPolarHBondContact O-CB 3.42Å; Q147-L151 PolarHBondContact O-N 3.18Å; Q147-Y216 WeakPolarHBondContact CB-OH 3.32Å; Q147-Y216 WeakPolarHBondContact CG-OH 3.48Å; Q147-Y216 PolarHBondContact NE2-OH 3.48Å; Q147-Y216 VanDerWaalsContact OE1-CZ 3.29Å; Q147-Y216 PolarHBondContact OE1-OH 3.34Å
148P73.6Confident80.6Confident12 Ų1256.1 Ų56.18%0.07830%0.302CS..Hα-helixtrans-66.1-34.6171.726.1-36.1000112.9W104 L144 L145 L151 A152W104-P148 HydrophobicContact CB-CB 3.88Å; W104-P148 HydrophobicContact CB-CG 4.34Å; W104-P148 HydrophobicContact CD2-CB 4.37Å; W104-P148 HydrophobicContact CD2-CG 3.85Å; W104-P148 HydrophobicContact CG-CB 3.77Å; W104-P148 HydrophobicContact CG-CG 3.72Å; L144-P148 VanDerWaalsContact O-CD 3.28Å; L144-P148 WeakPolarHBondContact O-CD 3.15Å; L145-P148 WeakPolarHBondContact O-CD 3.23Å; L145-P148 WeakPolarHBondContact O-CG 3.41Å; P148-L151 PolarHBondContact O-N 3.5Å; P148-A152 PolarHBondContact O-N 3.18Å; P148-A152 VanDerWaalsContact O-N 3.15Å
149M79.8Confident80.5Confident83 Ų8352.3 Ų52.341%0.40928%0.282SS..Hα-helixtrans-64.9-46.4175-167.777.9-168.600110.7L93 L97 I146 Q147 L151 A152 V153L93-M149 HydrophobicContact CD2-CE 4.45Å; L97-M149 HydrophobicContact CD1-CE 4.23Å; L97-M149 HydrophobicContact CD1-SD 3.37Å; L97-M149 WeakPolarHBondContact CD1-SD 3.2Å; L97-M149 HydrophobicContact CD2-CE 4.29Å; L97-M149 HydrophobicContact CD2-SD 4.2Å; L97-M149 HydrophobicContact CG-SD 4.45Å; I146-M149 CarbonylContact O-C 3.6Å; I146-M149 WeakPolarHBondContact O-CA 3.34Å; I146-M149 WeakPolarHBondContact O-CB 3.3Å; I146-M149 PolarHBondContact O-N 3.47Å; I146-M149 VanDerWaalsContact O-N 3.11Å; Q147-M149 VanDerWaalsContact C-N 3.34Å; M149-L151 VanDerWaalsContact C-N 3.27Å; M149-L151 PolarHBondContact O-N 3.48Å; M149-A152 PolarHBondContact O-N 3.43Å; M149-V153 VanDerWaalsContact O-CG2 3.31Å; M149-V153 WeakPolarHBondContact O-CG2 3.37Å; M149-V153 PolarHBondContact O-N 2.91Å
150A82.2Confident80.6Confident39 Ų3949.5 Ų49.532%0.32227%0.27SS..Hα-helixtrans-61.5-36.4178.500000111.9I146 Q147 R154I146-A150 HydrophobicContact CG2-CB 4.46Å; I146-A150 WeakPolarHBondContact O-CB 3.32Å; I146-A150 PolarHBondContact O-N 3.36Å; Q147-A150 PolarHBondContact O-N 2.91Å; A150-R154 VanDerWaalsContact O-CB 3.3Å; A150-R154 WeakPolarHBondContact O-CB 3.38Å; A150-R154 PolarHBondContact O-N 3.36Å
151L75.6Confident80.7Confident11 Ų1149 Ų496%0.05828%0.277CS..Hα-helixtrans-65-46.9175.9-165.379.3000112.2Q147 P148 M149 R154 L155 F209 L212Q147-L151 WeakPolarHBondContact O-CB 3.42Å; Q147-L151 PolarHBondContact O-N 3.18Å; P148-L151 PolarHBondContact O-N 3.5Å; M149-L151 VanDerWaalsContact C-N 3.27Å; M149-L151 PolarHBondContact O-N 3.48Å; L151-R154 PolarHBondContact O-N 3.4Å; L151-L155 PolarHBondContact O-N 3.41Å; L151-L155 VanDerWaalsContact O-N 3.17Å; L151-F209 HydrophobicContact CD1-CD2 4.26Å; L151-F209 HydrophobicContact CD2-CB 4.39Å; L151-F209 HydrophobicContact CD2-CD1 4.29Å; L151-F209 HydrophobicContact CD2-CD2 3.13Å; L151-F209 HydrophobicContact CD2-CE1 4.35Å; L151-F209 HydrophobicContact CD2-CE2 3.21Å; L151-F209 HydrophobicContact CD2-CG 3.7Å; L151-F209 HydrophobicContact CD2-CZ 3.85Å; L151-F209 HydrophobicContact CG-CD2 3.43Å; L151-F209 VanDerWaalsContact CG-CD2 3.43Å; L151-F209 HydrophobicContact CG-CE2 3.75Å; L151-F209 HydrophobicContact CG-CG 4.24Å; L151-L212 HydrophobicContact CD1-CD1 3.43Å; L151-L212 VanDerWaalsContact CD1-CD1 3.43Å
152A78.9Confident81.1Confident0 Ų046.9 Ų46.90%027%0.265CS..Hα-helixtrans-62.6-43.8177.500000111.6L93 N96 L97 A100 P148 M149 L155 T156L93-A152 HydrophobicContact CD1-CB 4.5Å; N96-A152 HydrophobicContact CB-CB 4.04Å; L97-A152 HydrophobicContact CD1-CB 4.12Å; A100-A152 HydrophobicContact CB-CB 4.14Å; P148-A152 PolarHBondContact O-N 3.18Å; P148-A152 VanDerWaalsContact O-N 3.15Å; M149-A152 PolarHBondContact O-N 3.43Å; A152-L155 PolarHBondContact O-N 3.03Å; A152-T156 PolarHBondContact O-N 3.2Å; A152-T156 VanDerWaalsContact O-N 3.13Å; A152-T156 PolarHBondContact O-OG1 3.4Å
153V83.1Confident81.1Confident62 Ų6244.5 Ų44.538%0.37625%0.252SS..Hα-helixtrans-63.5-41176.5172.70000111.3L93 M149 L155 T156 A157L93-V153 HydrophobicContact CD1-CG2 3.9Å; M149-V153 VanDerWaalsContact O-CG2 3.31Å; M149-V153 WeakPolarHBondContact O-CG2 3.37Å; M149-V153 PolarHBondContact O-N 2.91Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 3.48Å; V153-T156 WeakPolarHBondContact CA-OG1 3.31Å; V153-T156 PolarHBondContact O-N 3.01Å; V153-T156 PolarHBondContact O-OG1 2.69Å; V153-A157 WeakPolarHBondContact O-CB 3.07Å; V153-A157 PolarHBondContact O-N 3.37Å
154R83.9Confident81.4Confident102 Ų10244.6 Ų44.639%0.38525%0.248SC..Hα-helixtrans-60.1-42.4177.6-170-173.9-59.5147.42.5111.7A150 L151 N158A150-R154 VanDerWaalsContact O-CB 3.3Å; A150-R154 WeakPolarHBondContact O-CB 3.38Å; A150-R154 PolarHBondContact O-N 3.36Å; L151-R154 PolarHBondContact O-N 3.4Å; R154-N158 VanDerWaalsContact O-CG 3.29Å; R154-N158 PolarHBondContact O-N 3.47Å
155L77.6Confident81.9Confident1 Ų146.4 Ų46.41%0.00526%0.257CS..Hα-helixtrans-65.1-45.3178.4-17770.6000110.9I74 N78 N96 L151 A152 V153 I159 Q205I74-L155 HydrophobicContact CG2-CD1 4.06Å; I74-L155 HydrophobicContact CG2-CD2 4.26Å; N78-L155 WeakPolarHBondContact ND2-CD1 3.46Å; N96-L155 HydrophobicContact CB-CD2 4.24Å; N96-L155 WeakPolarHBondContact ND2-CD2 3.43Å; N96-L155 WeakPolarHBondContact ND2-CG 3.41Å; N96-L155 WeakPolarHBondContact OD1-CD2 3.08Å; L151-L155 PolarHBondContact O-N 3.41Å; L151-L155 VanDerWaalsContact O-N 3.17Å; A152-L155 PolarHBondContact O-N 3.03Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 3.48Å; L155-I159 HydrophobicContact CD1-CD1 3.99Å; L155-I159 HydrophobicContact CG-CD1 4.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.44Å; L155-I159 PolarHBondContact O-N 3.17Å; L155-Q205 HydrophobicContact CB-CG 4.34Å; L155-Q205 HydrophobicContact CD1-CB 4.43Å; L155-Q205 HydrophobicContact CD1-CG 3.44Å; L155-Q205 VanDerWaalsContact CD1-CG 3.44Å; L155-Q205 HydrophobicContact CG-CG 4.49Å; L155-Q205 VanDerWaalsContact N-NE2 3.1Å
156T81.6Confident82.4Confident13 Ų1342.9 Ų42.98%0.0824%0.238CC..Hα-helixtrans-65.7-44.6177.146.20000112.7L93 N96 A152 V153 N158 I159 T160L93-T156 VanDerWaalsContact CA-CG2 3.45Å; L93-T156 HydrophobicContact CB-CG2 4.03Å; L93-T156 HydrophobicContact CD1-CG2 4.01Å; N96-T156 HydrophobicContact CB-CG2 4.29Å; N96-T156 WeakPolarHBondContact ND2-CG2 3.17Å; N96-T156 PolarHBondContact ND2-N 2.9Å; A152-T156 PolarHBondContact O-N 3.2Å; A152-T156 VanDerWaalsContact O-N 3.13Å; A152-T156 PolarHBondContact O-OG1 3.4Å; V153-T156 WeakPolarHBondContact CA-OG1 3.31Å; V153-T156 PolarHBondContact O-N 3.01Å; V153-T156 PolarHBondContact O-OG1 2.69Å; T156-N158 PolarHBondContact O-N 2.87Å; T156-I159 PolarHBondContact O-N 3.3Å; T156-T160 VanDerWaalsContact O-CB 3.3Å; T156-T160 WeakPolarHBondContact O-CB 3.28Å; T156-T160 VanDerWaalsContact O-CG2 3.22Å; T156-T160 WeakPolarHBondContact O-CG2 3.39Å; T156-T160 PolarHBondContact O-N 2.88Å; T156-T160 PolarHBondContact O-OG1 3.3Å
157A81.3Confident82.6Confident40 Ų4043.9 Ų43.933%0.33124%0.24SC..Hα-helixtrans-64.8-44.2-172.200000110.8V153 T160 A161V153-A157 WeakPolarHBondContact O-CB 3.07Å; V153-A157 PolarHBondContact O-N 3.37Å; A157-T160 PolarHBondContact O-OG1 3.41Å; A157-A161 WeakPolarHBondContact O-CB 3.42Å; A157-A161 PolarHBondContact O-N 2.81Å
158N84.8Confident83Confident58 Ų5845.7 Ų45.731%0.3125%0.252SS..Hα-helixtrans-63.2-50.2-179.8-68.6-4.4000111.1R154 T156 T160 A161 G162 V201R154-N158 VanDerWaalsContact O-CG 3.29Å; R154-N158 PolarHBondContact O-N 3.47Å; T156-N158 PolarHBondContact O-N 2.87Å; N158-T160 PolarHBondContact O-N 3.34Å; N158-A161 PolarHBondContact O-N 3.3Å; N158-G162 PolarHBondContact O-N 3.25Å; N158-V201 HydrophobicContact CB-CG1 4.08Å
159I81.6Confident83.8Confident11 Ų1146.7 Ų46.76%0.05626%0.256CS..Hα-helixtrans-68.7-39.1-176.4-58.7171.5000111.5N78 T88 T90 T91 L155 T156 H163N78-I159 HydrophobicContact CB-CD1 4.3Å; N78-I159 WeakPolarHBondContact OD1-CD1 3.46Å; T88-I159 HydrophobicContact CG2-CG2 4.37Å; T90-I159 VanDerWaalsContact OG1-CD1 3.32Å; T90-I159 WeakPolarHBondContact OG1-CD1 3.46Å; T91-I159 HydrophobicContact CG2-CB 4.37Å; T91-I159 HydrophobicContact CG2-CG2 3.66Å; L155-I159 HydrophobicContact CD1-CD1 3.99Å; L155-I159 HydrophobicContact CG-CD1 4.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.44Å; L155-I159 PolarHBondContact O-N 3.17Å; T156-I159 PolarHBondContact O-N 3.3Å; I159-H163 WeakPolarHBondContact O-CB 3.18Å; I159-H163 PolarHBondContact O-N 3.22Å; I159-H163 VanDerWaalsContact O-N 3.13Å
160T83.6Confident84.3Confident35 Ų3543.9 Ų43.922%0.21525%0.248CC..Hα-helixtrans-69.8-45.5177.753.70000112.1F4 T91 T156 A157 N158 L164F4-T160 HydrophobicContact CE1-CG2 4.18Å; T91-T160 HydrophobicContact CG2-CG2 3.75Å; T156-T160 VanDerWaalsContact O-CB 3.3Å; T156-T160 WeakPolarHBondContact O-CB 3.28Å; T156-T160 VanDerWaalsContact O-CG2 3.22Å; T156-T160 WeakPolarHBondContact O-CG2 3.39Å; T156-T160 PolarHBondContact O-N 2.88Å; T156-T160 PolarHBondContact O-OG1 3.3Å; A157-T160 PolarHBondContact O-OG1 3.41Å; N158-T160 PolarHBondContact O-N 3.34Å; T160-L164 WeakPolarHBondContact O-CB 3.4Å; T160-L164 VanDerWaalsContact O-CG 3.32Å; T160-L164 WeakPolarHBondContact O-CG 3.25Å; T160-L164 PolarHBondContact O-N 3.04Å
161A85.2Confident84.6Confident56 Ų5644.8 Ų44.846%0.46325%0.252SS..Hα-helixtrans-65.1-44.5179.100000111.2A157 N158 L164 L165A157-A161 WeakPolarHBondContact O-CB 3.42Å; A157-A161 PolarHBondContact O-N 2.81Å; N158-A161 PolarHBondContact O-N 3.3Å; A161-L164 PolarHBondContact O-N 3.18Å; A161-L165 VanDerWaalsContact O-CB 3.29Å; A161-L165 WeakPolarHBondContact O-CB 3.29Å; A161-L165 PolarHBondContact O-N 3.13Å
162G85.3Confident85.2Confident4 Ų446.2 Ų46.24%0.04127%0.265CS..Hα-helixtrans-59.7-47.517700000113.2N158 L164 L165 M166 E198N158-G162 PolarHBondContact O-N 3.25Å; G162-L164 PolarHBondContact O-N 3.07Å; G162-L165 PolarHBondContact O-N 3.42Å; G162-M166 WeakPolarHBondContact O-CB 3.44Å; G162-M166 WeakPolarHBondContact O-CG 3.35Å; G162-M166 PolarHBondContact O-N 2.97Å; G162-E198 VanDerWaalsContact CA-CD 3.44Å; G162-E198 WeakPolarHBondContact CA-OE1 3.47Å; G162-E198 VanDerWaalsContact CA-OE2 3.22Å; G162-E198 WeakPolarHBondContact CA-OE2 2.98Å
163H85.1Confident85.7Confident33 Ų3347 Ų4715%0.15327%0.271CS..Hα-helixtrans-65.4-37.1176.9-169.8-60.9000112.5F4 I159 M166 H167F4-H163 HydrophobicContact CE1-CB 4.37Å; F4-H163 HydrophobicContact CZ-CB 4.11Å; I159-H163 WeakPolarHBondContact O-CB 3.18Å; I159-H163 PolarHBondContact O-N 3.22Å; I159-H163 VanDerWaalsContact O-N 3.13Å; H163-M166 HydrophobicContact CB-CE 4.43Å; H163-H167 WeakPolarHBondContact O-CB 3.28Å; H163-H167 PolarHBondContact O-N 3.44Å
164L86.3Confident86.1Confident57 Ų5750.2 Ų50.230%0.29829%0.285SS..Hα-helixtrans-64.2-42.8172.9-77.8171.2000111.5F1 F4 T160 A161 G162 H167 L168F1-L164 HydrophobicContact CE1-CD2 4.35Å; F1-L164 HydrophobicContact CZ-CD2 4.4Å; F4-L164 HydrophobicContact CE2-CD2 3.8Å; F4-L164 HydrophobicContact CE2-CG 3.89Å; F4-L164 HydrophobicContact CZ-CD2 4.44Å; F4-L164 HydrophobicContact CZ-CG 4.1Å; T160-L164 WeakPolarHBondContact O-CB 3.4Å; T160-L164 VanDerWaalsContact O-CG 3.32Å; T160-L164 WeakPolarHBondContact O-CG 3.25Å; T160-L164 PolarHBondContact O-N 3.04Å; A161-L164 PolarHBondContact O-N 3.18Å; G162-L164 PolarHBondContact O-N 3.07Å; L164-H167 PolarHBondContact O-N 3.22Å; L164-L168 WeakPolarHBondContact O-CG 3.35Å; L164-L168 PolarHBondContact O-N 2.99Å
165L88.3Confident86.3Confident79 Ų7947.6 Ų47.641%0.41429%0.285SS..Hα-helixtrans-67.8-42.7-178.6-157.1151.4000111.1A161 G162 H167 L168 I169 L194A161-L165 VanDerWaalsContact O-CB 3.29Å; A161-L165 WeakPolarHBondContact O-CB 3.29Å; A161-L165 PolarHBondContact O-N 3.13Å; G162-L165 PolarHBondContact O-N 3.42Å; L165-H167 VanDerWaalsContact C-N 3.32Å; L165-H167 PolarHBondContact O-N 3.44Å; L165-L168 PolarHBondContact O-N 2.9Å; L165-I169 HydrophobicContact CD2-CD1 3.46Å; L165-I169 VanDerWaalsContact CD2-CD1 3.46Å; L165-I169 HydrophobicContact CD2-CG1 4.1Å; L165-I169 WeakPolarHBondContact O-CG1 3.36Å; L165-I169 PolarHBondContact O-N 2.98Å; L165-L194 HydrophobicContact CB-CD2 4.43Å; L165-L194 HydrophobicContact CD2-CD1 3.69Å; L165-L194 HydrophobicContact CD2-CD2 3.17Å; L165-L194 HydrophobicContact CD2-CG 4.04Å; L165-L194 HydrophobicContact CG-CD2 4.38Å
166M89.1Confident86.8Confident31 Ų3150.6 Ų50.615%0.15330%0.3CS..Hα-helixtrans-58.7-42.1171.7-74.5-171.9-69.700112L82 G162 H163 G170 L194 T195 E198L82-M166 HydrophobicContact CD2-CE 4.03Å; G162-M166 WeakPolarHBondContact O-CB 3.44Å; G162-M166 WeakPolarHBondContact O-CG 3.35Å; G162-M166 PolarHBondContact O-N 2.97Å; H163-M166 HydrophobicContact CB-CE 4.43Å; M166-G170 PolarHBondContact O-N 3.46Å; M166-L194 HydrophobicContact CB-CD2 4.4Å; M166-L194 HydrophobicContact CG-CD2 3.59Å; M166-L194 HydrophobicContact CG-CG 4.24Å; M166-T195 HydrophobicContact SD-CG2 3.82Å; M166-E198 HydrophobicContact CE-CG 4.17Å
167H88.2Confident87Confident121 Ų12152.9 Ų52.956%0.5632%0.316SS*.Hα-helixtrans-67.3-42177.7-175.4-73.1000112.4H163 L164 L165 G170 S171H163-H167 WeakPolarHBondContact O-CB 3.28Å; H163-H167 PolarHBondContact O-N 3.44Å; L164-H167 PolarHBondContact O-N 3.22Å; L165-H167 VanDerWaalsContact C-N 3.32Å; L165-H167 PolarHBondContact O-N 3.44Å; H167-G170 PolarHBondContact O-N 3.09Å; H167-S171 WeakPolarHBondContact O-CB 3.42Å; H167-S171 PolarHBondContact O-N 3.06Å; H167-S171 PolarHBondContact O-OG 3.27Å
168L88.9Confident87.3Confident112 Ų11256.6 Ų56.659%0.58634%0.335SS*.Hα-helixtrans-64.1-48.9178.4-73.2171.5000111.1L164 L165 G170 S171 A172L164-L168 WeakPolarHBondContact O-CG 3.35Å; L164-L168 PolarHBondContact O-N 2.99Å; L165-L168 PolarHBondContact O-N 2.9Å; L168-G170 VanDerWaalsContact C-N 3.34Å; L168-G170 PolarHBondContact O-N 3.21Å; L168-S171 PolarHBondContact O-N 3.28Å; L168-S171 PolarHBondContact O-OG 3.42Å; L168-A172 PolarHBondContact O-N 3.07Å
169I90.3Very high87.4Confident33 Ų3359 Ų5917%0.16935%0.347CS..Hα-helixtrans-64-40.9176.9-64.4-174.5000110.5L165 S171 A172 T173 I187 I190 L191 L194L165-I169 HydrophobicContact CD2-CD1 3.46Å; L165-I169 VanDerWaalsContact CD2-CD1 3.46Å; L165-I169 HydrophobicContact CD2-CG1 4.1Å; L165-I169 WeakPolarHBondContact O-CG1 3.36Å; L165-I169 PolarHBondContact O-N 2.98Å; I169-S171 VanDerWaalsContact C-N 3.33Å; I169-S171 PolarHBondContact O-N 2.92Å; I169-A172 CarbonylContact O-C 3.58Å; I169-A172 WeakPolarHBondContact O-CB 3.49Å; I169-A172 PolarHBondContact O-N 2.86Å; I169-A172 VanDerWaalsContact O-N 3.14Å; I169-T173 HydrophobicContact CG2-CG2 4.35Å; I169-T173 WeakPolarHBondContact O-CG2 3.45Å; I169-T173 PolarHBondContact O-N 3.04Å; I169-T173 PolarHBondContact O-OG1 3.36Å; I169-I187 HydrophobicContact CG2-CG2 3.8Å; I169-I190 HydrophobicContact CD1-CG2 4.18Å; I169-L191 HydrophobicContact CB-CD1 4.22Å; I169-L191 HydrophobicContact CG2-CB 3.97Å; I169-L191 HydrophobicContact CG2-CD1 4.01Å; I169-L194 HydrophobicContact CD1-CD2 4.14Å
170G89.3Confident87.6Confident23 Ų2363.1 Ų63.124%0.23737%0.369CS..Hα-helixtrans-61.6-36.9175.200000113.7M166 H167 L168 T173 L174M166-G170 PolarHBondContact O-N 3.46Å; H167-G170 PolarHBondContact O-N 3.09Å; L168-G170 VanDerWaalsContact C-N 3.34Å; L168-G170 PolarHBondContact O-N 3.21Å; G170-T173 WeakPolarHBondContact CA-OG1 3.26Å; G170-T173 PolarHBondContact O-OG1 3.48Å; G170-L174 WeakPolarHBondContact O-CB 3.49Å; G170-L174 PolarHBondContact O-N 3Å
171S88.9Confident87.7Confident59 Ų5968.4 Ų68.441%0.41340%0.395SS..Hα-helixtrans-70.4-35.7173.469.20000112.2H167 L168 I169 L174 A175H167-S171 WeakPolarHBondContact O-CB 3.42Å; H167-S171 PolarHBondContact O-N 3.06Å; H167-S171 PolarHBondContact O-OG 3.27Å; L168-S171 PolarHBondContact O-N 3.28Å; L168-S171 PolarHBondContact O-OG 3.42Å; I169-S171 VanDerWaalsContact C-N 3.33Å; I169-S171 PolarHBondContact O-N 2.92Å; S171-L174 PolarHBondContact O-N 2.91Å; S171-A175 WeakPolarHBondContact O-CB 3.34Å; S171-A175 PolarHBondContact O-N 3.31Å
172A87.8Confident87.9Confident40 Ų4070.2 Ų70.233%0.33140%0.402SS..Hα-helixtrans-68.9-41176.200000112L168 I169 L174 A175 M176L168-A172 PolarHBondContact O-N 3.07Å; I169-A172 CarbonylContact O-C 3.58Å; I169-A172 WeakPolarHBondContact O-CB 3.49Å; I169-A172 PolarHBondContact O-N 2.86Å; I169-A172 VanDerWaalsContact O-N 3.14Å; A172-L174 VanDerWaalsContact C-N 3.3Å; A172-L174 PolarHBondContact O-N 2.84Å; A172-A175 PolarHBondContact O-N 2.88Å; A172-M176 WeakPolarHBondContact O-CB 3.38Å; A172-M176 WeakPolarHBondContact O-CG 3.39Å; A172-M176 PolarHBondContact O-N 3.46Å
173T90.4Very high87.9Confident18 Ų1871.9 Ų71.911%0.1141%0.413CS..Hα-helixtrans-60.9-42.4174.355.50000110.9I169 G170 M176 S177 I187I169-T173 HydrophobicContact CG2-CG2 4.35Å; I169-T173 WeakPolarHBondContact O-CG2 3.45Å; I169-T173 PolarHBondContact O-N 3.04Å; I169-T173 PolarHBondContact O-OG1 3.36Å; G170-T173 WeakPolarHBondContact CA-OG1 3.26Å; G170-T173 PolarHBondContact O-OG1 3.48Å; T173-M176 PolarHBondContact O-N 3.35Å; T173-S177 WeakPolarHBondContact O-CB 3.22Å; T173-S177 PolarHBondContact O-N 3.22Å; T173-I187 HydrophobicContact CG2-CB 3.85Å; T173-I187 HydrophobicContact CG2-CG2 3.36Å
174L89.8Confident88.2Confident128 Ų12871.4 Ų71.467%0.6741%0.412SS*.Hα-helixtrans-66.3-42.2179.3-162.5138.3000111.6G170 S171 A172 S177G170-L174 WeakPolarHBondContact O-CB 3.49Å; G170-L174 PolarHBondContact O-N 3Å; S171-L174 PolarHBondContact O-N 2.91Å; A172-L174 VanDerWaalsContact C-N 3.3Å; A172-L174 PolarHBondContact O-N 2.84Å; L174-S177 PolarHBondContact O-N 3.45Å; L174-S177 PolarHBondContact O-OG 3.28Å
175A88.9Confident88.4Confident47 Ų4774.4 Ų74.439%0.38843%0.428SS..Hα-helixtrans-63.2-45.617400000112.3S171 A172 S177 T178S171-A175 WeakPolarHBondContact O-CB 3.34Å; S171-A175 PolarHBondContact O-N 3.31Å; A172-A175 PolarHBondContact O-N 2.88Å; A175-S177 VanDerWaalsContact C-N 3.28Å; A175-S177 PolarHBondContact O-N 3.47Å; A175-T178 PolarHBondContact O-N 3.45Å; A175-T178 PolarHBondContact O-OG1 3.39Å
176M87.2Confident88.6Confident64 Ų6475.8 Ų75.832%0.31544%0.435SS..Hα-helixtrans-68.9-25.7-179.2-68.7-64.811100113.3A172 T173 T178 I179 N180 T184 I187A172-M176 WeakPolarHBondContact O-CB 3.38Å; A172-M176 WeakPolarHBondContact O-CG 3.39Å; A172-M176 PolarHBondContact O-N 3.46Å; T173-M176 PolarHBondContact O-N 3.35Å; M176-T178 PolarHBondContact O-N 3.28Å; M176-I179 HydrophobicContact CE-CD1 3.63Å; M176-I179 PolarHBondContact O-N 3.31Å; M176-I179 HydrophobicContact SD-CD1 4.33Å; M176-N180 PolarHBondContact O-N 3.06Å; M176-T184 PolarHBondContact O-OG1 3.36Å; M176-T184 VanDerWaalsContact O-OG1 3.09Å; M176-I187 HydrophobicContact CB-CD1 4.23Å; M176-I187 HydrophobicContact CG-CD1 3.71Å
177S86.9Confident88.7Confident61 Ų6176.3 Ų76.343%0.42744%0.438SS..Hα-helixtrans-58.4-29.1177.176.50000112.9T173 L174 A175 T184T173-S177 WeakPolarHBondContact O-CB 3.22Å; T173-S177 PolarHBondContact O-N 3.22Å; L174-S177 PolarHBondContact O-N 3.45Å; L174-S177 PolarHBondContact O-OG 3.28Å; A175-S177 VanDerWaalsContact C-N 3.28Å; A175-S177 PolarHBondContact O-N 3.47Å; S177-T184 VanDerWaalsContact CA-OG1 3.29Å; S177-T184 WeakPolarHBondContact CA-OG1 3.29Å; S177-T184 PolarHBondContact N-OG1 3.03Å
178T86.7Confident88.9Confident119 Ų11975.5 Ų75.573%0.7343%0.433SS*.THydrogen-bonded Turntrans-81.1-19.5178.666.60000113.5A175 M176A175-T178 PolarHBondContact O-N 3.45Å; A175-T178 PolarHBondContact O-OG1 3.39Å; M176-T178 PolarHBondContact O-N 3.28Å
179I86.9Confident89.1Confident108 Ų10873.8 Ų73.855%0.55443%0.428SS*.THydrogen-bonded Turntrans-99.3-58.6-173.1-58.9170.6000110.4M176M176-I179 HydrophobicContact CE-CD1 3.63Å; M176-I179 PolarHBondContact O-N 3.31Å; M176-I179 HydrophobicContact SD-CD1 4.33Å
180N87.2Confident89.2Confident97 Ų9776.3 Ų76.352%0.51944%0.44SS..  trans-146.8123.4-173.3-85.2-22000111.3M176 S183 T184M176-N180 PolarHBondContact O-N 3.06Å; N180-S183 VanDerWaalsContact CB-OG 3.24Å; N180-S183 WeakPolarHBondContact CB-OG 3.32Å; N180-S183 PolarHBondContact O-OG 3.24Å; N180-T184 PolarHBondContact O-N 3.38Å; N180-T184 PolarHBondContact O-OG1 3.19Å
181L86.1Confident89.4Confident146 Ų14676.7 Ų76.776%0.76444%0.437SS*.Hα-helixtrans-62.9-44.9177.7-15387.4000114.3S183 T184 L185L181-S183 PolarHBondContact O-N 3.11Å; L181-T184 WeakPolarHBondContact O-CB 3.46Å; L181-T184 PolarHBondContact O-N 2.88Å; L181-L185 PolarHBondContact O-N 2.94Å
182P88.1Confident89.5Confident95 Ų9577.5 Ų77.562%0.61744%0.436SS*.Hα-helixtrans-69.5-37.1-174.825.1-32.9000113T184 L185 I186P182-T184 VanDerWaalsContact C-N 3.31Å; P182-T184 PolarHBondContact O-N 3Å; P182-L185 PolarHBondContact O-N 2.9Å; P182-I186 PolarHBondContact O-N 3Å
183S86.5Confident89.8Confident38 Ų3881.3 Ų81.327%0.26645%0.45SS..Hα-helixtrans-66.9-34.2174.351.10000112.1N180 L181 L185 I186 I187N180-S183 VanDerWaalsContact CB-OG 3.24Å; N180-S183 WeakPolarHBondContact CB-OG 3.32Å; N180-S183 PolarHBondContact O-OG 3.24Å; L181-S183 PolarHBondContact O-N 3.11Å; S183-L185 VanDerWaalsContact C-N 3.32Å; S183-L185 PolarHBondContact O-N 2.99Å; S183-I186 PolarHBondContact O-N 2.89Å; S183-I187 WeakPolarHBondContact O-CG1 3.42Å; S183-I187 PolarHBondContact O-N 3.41Å; S183-I187 VanDerWaalsContact O-N 3.16Å
184T91Very high89.9Confident23 Ų2381.6 Ų81.614%0.14145%0.45CS..Hα-helixtrans-62.3-41.1175.7-59.60000111.5M176 S177 N180 L181 P182 I186 I187 F188M176-T184 PolarHBondContact O-OG1 3.36Å; M176-T184 VanDerWaalsContact O-OG1 3.09Å; S177-T184 VanDerWaalsContact CA-OG1 3.29Å; S177-T184 WeakPolarHBondContact CA-OG1 3.29Å; S177-T184 PolarHBondContact N-OG1 3.03Å; N180-T184 PolarHBondContact O-N 3.38Å; N180-T184 PolarHBondContact O-OG1 3.19Å; L181-T184 WeakPolarHBondContact O-CB 3.46Å; L181-T184 PolarHBondContact O-N 2.88Å; P182-T184 VanDerWaalsContact C-N 3.31Å; P182-T184 PolarHBondContact O-N 3Å; T184-I186 VanDerWaalsContact C-N 3.3Å; T184-I186 PolarHBondContact O-N 2.6Å; T184-I187 PolarHBondContact O-N 2.8Å; T184-F188 VanDerWaalsContact O-CB 3.28Å; T184-F188 WeakPolarHBondContact O-CB 3.41Å; T184-F188 PolarHBondContact O-N 3.39Å
185L90.5Very high89.9Confident120 Ų12077.9 Ų77.963%0.62843%0.433SS*.Hα-helixtrans-59.7-42.1177.2-163.979.4000111.5L181 P182 S183 F188 T189L181-L185 PolarHBondContact O-N 2.94Å; P182-L185 PolarHBondContact O-N 2.9Å; S183-L185 VanDerWaalsContact C-N 3.32Å; S183-L185 PolarHBondContact O-N 2.99Å; L185-F188 PolarHBondContact O-N 3Å; L185-T189 WeakPolarHBondContact O-CG2 3.35Å; L185-T189 PolarHBondContact O-N 3.33Å
186I91.9Very high90Very high109 Ų10980.5 Ų80.556%0.55944%0.44SS*.Hα-helixtrans-64.3-44.8178.9-61.7166.4000111.2P182 S183 T184 F188 T189 I190P182-I186 PolarHBondContact O-N 3Å; S183-I186 PolarHBondContact O-N 2.89Å; T184-I186 VanDerWaalsContact C-N 3.3Å; T184-I186 PolarHBondContact O-N 2.6Å; I186-F188 VanDerWaalsContact C-N 3.3Å; I186-F188 PolarHBondContact O-N 3.39Å; I186-T189 PolarHBondContact O-N 2.86Å; I186-T189 PolarHBondContact O-OG1 3.46Å; I186-I190 HydrophobicContact CG2-CD1 4.35Å; I186-I190 WeakPolarHBondContact O-CG1 3.31Å; I186-I190 PolarHBondContact O-N 3.44Å
187I92Very high90.1Very high42 Ų4282.3 Ų82.322%0.21545%0.45CS..Hα-helixtrans-70.6-33.3179.8-56.2167.6000110.3I169 T173 M176 S183 T184 I190 L191I169-I187 HydrophobicContact CG2-CG2 3.8Å; T173-I187 HydrophobicContact CG2-CB 3.85Å; T173-I187 HydrophobicContact CG2-CG2 3.36Å; M176-I187 HydrophobicContact CB-CD1 4.23Å; M176-I187 HydrophobicContact CG-CD1 3.71Å; S183-I187 WeakPolarHBondContact O-CG1 3.42Å; S183-I187 PolarHBondContact O-N 3.41Å; S183-I187 VanDerWaalsContact O-N 3.16Å; T184-I187 PolarHBondContact O-N 2.8Å; I187-I190 WeakPolarHBondContact O-CB 3.28Å; I187-I190 PolarHBondContact O-N 3.21Å; I187-L191 PolarHBondContact O-N 2.92Å
188F91.5Very high90.3Very high103 Ų10380.2 Ų80.245%0.45243%0.434SS..Hα-helixtrans-66.2-39.4175.2-173.3-105.5000112.6T184 L185 I186 I190 L191 I192T184-F188 VanDerWaalsContact O-CB 3.28Å; T184-F188 WeakPolarHBondContact O-CB 3.41Å; T184-F188 PolarHBondContact O-N 3.39Å; L185-F188 PolarHBondContact O-N 3Å; I186-F188 VanDerWaalsContact C-N 3.3Å; I186-F188 PolarHBondContact O-N 3.39Å; F188-I190 VanDerWaalsContact C-N 3.32Å; F188-I190 PolarHBondContact O-N 2.93Å; F188-L191 HydrophobicContact CD2-CD2 4.44Å; F188-L191 WeakPolarHBondContact O-CB 3.23Å; F188-L191 PolarHBondContact O-N 2.95Å; F188-I192 HydrophobicContact CD1-CD1 3.85Å; F188-I192 HydrophobicContact CE1-CD1 3.51Å; F188-I192 HydrophobicContact CE1-CG1 4.27Å; F188-I192 HydrophobicContact CZ-CD1 4.13Å; F188-I192 HydrophobicContact CZ-CG1 4.48Å; F188-I192 PolarHBondContact O-N 3.38Å
189T92.9Very high90.4Very high77 Ų7778.5 Ų78.547%0.47242%0.419SS..Hα-helixtrans-64.7-37.4173.457.10000111.8L185 I186 L191 I192 L193L185-T189 WeakPolarHBondContact O-CG2 3.35Å; L185-T189 PolarHBondContact O-N 3.33Å; I186-T189 PolarHBondContact O-N 2.86Å; I186-T189 PolarHBondContact O-OG1 3.46Å; T189-L191 VanDerWaalsContact C-N 3.35Å; T189-I192 PolarHBondContact O-N 2.99Å; T189-L193 PolarHBondContact O-N 3.24Å
190I93.3Very high90.5Very high85 Ų8575.5 Ų75.544%0.43641%0.411SS..Hα-helixtrans-61.8-42.5172.9-65.7166.6000111I169 I186 I187 F188 I192 L193 L194I169-I190 HydrophobicContact CD1-CG2 4.18Å; I186-I190 HydrophobicContact CG2-CD1 4.35Å; I186-I190 WeakPolarHBondContact O-CG1 3.31Å; I186-I190 PolarHBondContact O-N 3.44Å; I187-I190 WeakPolarHBondContact O-CB 3.28Å; I187-I190 PolarHBondContact O-N 3.21Å; F188-I190 VanDerWaalsContact C-N 3.32Å; F188-I190 PolarHBondContact O-N 2.93Å; I190-I192 PolarHBondContact O-N 3.44Å; I190-L193 PolarHBondContact O-N 3.14Å; I190-L194 WeakPolarHBondContact O-CB 3.34Å; I190-L194 PolarHBondContact O-N 2.97Å
191L92.5Very high90.6Very high31 Ų3173 Ų7316%0.16240%0.398CS..Hα-helixtrans-59.5-45.4176.1-177.967.1000111.5I169 I187 F188 T189 L194 T195I169-L191 HydrophobicContact CB-CD1 4.22Å; I169-L191 HydrophobicContact CG2-CB 3.97Å; I169-L191 HydrophobicContact CG2-CD1 4.01Å; I187-L191 PolarHBondContact O-N 2.92Å; F188-L191 HydrophobicContact CD2-CD2 4.44Å; F188-L191 WeakPolarHBondContact O-CB 3.23Å; F188-L191 PolarHBondContact O-N 2.95Å; T189-L191 VanDerWaalsContact C-N 3.35Å; L191-L194 WeakPolarHBondContact O-CB 3.34Å; L191-L194 PolarHBondContact O-N 2.74Å; L191-T195 WeakPolarHBondContact O-CG2 3.43Å; L191-T195 PolarHBondContact O-N 2.82Å
192I91.5Very high90.7Very high76 Ų7666.3 Ų66.339%0.3937%0.365SS..Hα-helixtrans-60.5-48.1176.3-67.2166000110.5F188 T189 I190 L194 T195 I196F188-I192 HydrophobicContact CD1-CD1 3.85Å; F188-I192 HydrophobicContact CE1-CD1 3.51Å; F188-I192 HydrophobicContact CE1-CG1 4.27Å; F188-I192 HydrophobicContact CZ-CD1 4.13Å; F188-I192 HydrophobicContact CZ-CG1 4.48Å; F188-I192 PolarHBondContact O-N 3.38Å; T189-I192 PolarHBondContact O-N 2.99Å; I190-I192 PolarHBondContact O-N 3.44Å; I192-L194 VanDerWaalsContact C-N 3.27Å; I192-L194 PolarHBondContact O-N 3.42Å; I192-T195 PolarHBondContact O-N 3.47Å; I192-T195 VanDerWaalsContact O-N 3.13Å; I192-T195 PolarHBondContact O-OG1 3.45Å; I192-I196 HydrophobicContact CG2-CD1 4.12Å; I192-I196 WeakPolarHBondContact O-CG1 3.49Å; I192-I196 PolarHBondContact O-N 2.82Å; I192-I196 VanDerWaalsContact O-N 3.13Å
193L93.7Very high90.6Very high120 Ų12067.5 Ų67.563%0.62837%0.365SS*.Hα-helixtrans-59.5-40.8179.7-176.463.1000111.7T189 I190 I196 L197T189-L193 PolarHBondContact O-N 3.24Å; I190-L193 PolarHBondContact O-N 3.14Å; L193-I196 PolarHBondContact O-N 2.96Å; L193-L197 PolarHBondContact O-N 3.13Å
194L91.9Very high90.7Very high24 Ų2470.3 Ų70.313%0.12638%0.376CS..Hα-helixtrans-62.3-43.4175.6-17973.6000112L165 M166 I169 I190 L191 I192 I196 L197 E198L165-L194 HydrophobicContact CB-CD2 4.43Å; L165-L194 HydrophobicContact CD2-CD1 3.69Å; L165-L194 HydrophobicContact CD2-CD2 3.17Å; L165-L194 HydrophobicContact CD2-CG 4.04Å; L165-L194 HydrophobicContact CG-CD2 4.38Å; M166-L194 HydrophobicContact CB-CD2 4.4Å; M166-L194 HydrophobicContact CG-CD2 3.59Å; M166-L194 HydrophobicContact CG-CG 4.24Å; I169-L194 HydrophobicContact CD1-CD2 4.14Å; I190-L194 WeakPolarHBondContact O-CB 3.34Å; I190-L194 PolarHBondContact O-N 2.97Å; L191-L194 WeakPolarHBondContact O-CB 3.34Å; L191-L194 PolarHBondContact O-N 2.74Å; I192-L194 VanDerWaalsContact C-N 3.27Å; I192-L194 PolarHBondContact O-N 3.42Å; L194-I196 VanDerWaalsContact C-N 3.27Å; L194-I196 PolarHBondContact O-N 3.36Å; L194-L197 WeakPolarHBondContact O-CB 3.5Å; L194-L197 PolarHBondContact O-N 2.89Å; L194-L197 VanDerWaalsContact O-N 3.16Å; L194-E198 PolarHBondContact O-N 3.2Å
195T90.1Very high90.5Very high50 Ų5069.8 Ų69.831%0.30737%0.372SS..Hα-helixtrans-61.2-38.217861.20000111.9M166 L191 I192 E198 I199M166-T195 HydrophobicContact SD-CG2 3.82Å; L191-T195 WeakPolarHBondContact O-CG2 3.43Å; L191-T195 PolarHBondContact O-N 2.82Å; I192-T195 PolarHBondContact O-N 3.47Å; I192-T195 VanDerWaalsContact O-N 3.13Å; I192-T195 PolarHBondContact O-OG1 3.45Å; T195-E198 PolarHBondContact O-N 3.44Å; T195-I199 VanDerWaalsContact O-CG1 3.28Å; T195-I199 WeakPolarHBondContact O-CG1 3.32Å; T195-I199 PolarHBondContact O-N 2.86Å
196I91.3Very high90.3Very high102 Ų10264.1 Ų64.152%0.52334%0.343SS..Hα-helixtrans-65.1-43.4176-64.6167.8000110.4I192 L193 L194 E198 I199 A200I192-I196 HydrophobicContact CG2-CD1 4.12Å; I192-I196 WeakPolarHBondContact O-CG1 3.49Å; I192-I196 PolarHBondContact O-N 2.82Å; I192-I196 VanDerWaalsContact O-N 3.13Å; L193-I196 PolarHBondContact O-N 2.96Å; L194-I196 VanDerWaalsContact C-N 3.27Å; L194-I196 PolarHBondContact O-N 3.36Å; I196-E198 VanDerWaalsContact C-N 3.33Å; I196-E198 PolarHBondContact O-N 3.07Å; I196-I199 PolarHBondContact O-N 3.14Å; I196-A200 PolarHBondContact O-N 3.45Å; I196-A200 VanDerWaalsContact O-N 3.11Å
197L90.3Very high90.1Very high103 Ų10363.6 Ų63.654%0.53933%0.334SS..Hα-helixtrans-59.7-45.2175.9179.466.9000111.2L193 L194 I199 A200 V201L193-L197 PolarHBondContact O-N 3.13Å; L194-L197 WeakPolarHBondContact O-CB 3.5Å; L194-L197 PolarHBondContact O-N 2.89Å; L194-L197 VanDerWaalsContact O-N 3.16Å; L197-I199 VanDerWaalsContact C-N 3.35Å; L197-I199 PolarHBondContact O-N 3.42Å; L197-A200 WeakPolarHBondContact O-CB 3.48Å; L197-A200 PolarHBondContact O-N 3.48Å; L197-A200 VanDerWaalsContact O-N 3.14Å; L197-V201 HydrophobicContact CD1-CG2 4.33Å; L197-V201 HydrophobicContact CG-CG2 4.36Å; L197-V201 WeakPolarHBondContact O-CG2 3.41Å; L197-V201 PolarHBondContact O-N 2.89Å
198E89.4Confident89.9Confident17 Ų1763.7 Ų63.78%0.07934%0.337CS..Hα-helixtrans-64.1-40-178.2-156.669.6-149.700111.9L82 G162 M166 L194 T195 I196 A200 V201 A202L82-E198 HydrophobicContact CD1-CB 4.49Å; L82-E198 HydrophobicContact CD1-CG 4.38Å; L82-E198 HydrophobicContact CD2-CB 4.17Å; L82-E198 HydrophobicContact CD2-CG 3.39Å; G162-E198 VanDerWaalsContact CA-CD 3.44Å; G162-E198 WeakPolarHBondContact CA-OE1 3.47Å; G162-E198 VanDerWaalsContact CA-OE2 3.22Å; G162-E198 WeakPolarHBondContact CA-OE2 2.98Å; M166-E198 HydrophobicContact CE-CG 4.17Å; L194-E198 PolarHBondContact O-N 3.2Å; T195-E198 PolarHBondContact O-N 3.44Å; I196-E198 VanDerWaalsContact C-N 3.33Å; I196-E198 PolarHBondContact O-N 3.07Å; E198-A200 VanDerWaalsContact C-N 3.32Å; E198-A200 PolarHBondContact O-N 3Å; E198-V201 PolarHBondContact O-N 3.11Å; E198-A202 WeakPolarHBondContact O-CB 3.48Å; E198-A202 PolarHBondContact O-N 3.16Å
199I89Confident89.5Confident82 Ų8258.8 Ų58.842%0.42132%0.315SS..Hα-helixtrans-60.4-43.7173.2-67.1164.6000110.7L79 L82 T195 I196 L197 A202 L203L79-I199 HydrophobicContact CD1-CG2 4.15Å; L82-I199 HydrophobicContact CD1-CB 4.21Å; L82-I199 HydrophobicContact CD1-CG1 3.62Å; T195-I199 VanDerWaalsContact O-CG1 3.28Å; T195-I199 WeakPolarHBondContact O-CG1 3.32Å; T195-I199 PolarHBondContact O-N 2.86Å; I196-I199 PolarHBondContact O-N 3.14Å; L197-I199 VanDerWaalsContact C-N 3.35Å; L197-I199 PolarHBondContact O-N 3.42Å; I199-A202 PolarHBondContact O-N 3.03Å; I199-L203 PolarHBondContact O-N 2.93Å
200A90.3Very high89.1Confident46 Ų4655.1 Ų55.138%0.3829%0.293SS..Hα-helixtrans-64.4-45.8177.700000111.7I196 L197 E198 A202 L203 I204I196-A200 PolarHBondContact O-N 3.45Å; I196-A200 VanDerWaalsContact O-N 3.11Å; L197-A200 WeakPolarHBondContact O-CB 3.48Å; L197-A200 PolarHBondContact O-N 3.48Å; L197-A200 VanDerWaalsContact O-N 3.14Å; E198-A200 VanDerWaalsContact C-N 3.32Å; E198-A200 PolarHBondContact O-N 3Å; A200-A202 VanDerWaalsContact C-N 3.34Å; A200-A202 PolarHBondContact O-N 3.16Å; A200-L203 PolarHBondContact O-N 3.08Å; A200-I204 VanDerWaalsContact O-CG1 3.28Å; A200-I204 WeakPolarHBondContact O-CG1 3.28Å; A200-I204 PolarHBondContact O-N 3.45Å
201V89.8Confident88.7Confident43 Ų4353.5 Ų53.526%0.26128%0.284SS..Hα-helixtrans-61.7-41.6177.9172.80000111.1N158 L197 E198 L203 I204 Q205N158-V201 HydrophobicContact CB-CG1 4.08Å; L197-V201 HydrophobicContact CD1-CG2 4.33Å; L197-V201 HydrophobicContact CG-CG2 4.36Å; L197-V201 WeakPolarHBondContact O-CG2 3.41Å; L197-V201 PolarHBondContact O-N 2.89Å; E198-V201 PolarHBondContact O-N 3.11Å; V201-L203 VanDerWaalsContact C-N 3.33Å; V201-L203 PolarHBondContact O-N 2.96Å; V201-I204 PolarHBondContact O-N 2.75Å; V201-Q205 WeakPolarHBondContact O-CB 3.42Å; V201-Q205 PolarHBondContact O-N 2.9Å
202A87Confident88.2Confident7 Ų753.7 Ų53.76%0.05829%0.285CS..Hα-helixtrans-58.9-41.417800000112.9N78 L82 E198 I199 A200 A206N78-A202 HydrophobicContact CB-CB 3.97Å; N78-A202 PolarHBondContact ND2-O 3.14Å; L82-A202 HydrophobicContact CD1-CB 4.09Å; E198-A202 WeakPolarHBondContact O-CB 3.48Å; E198-A202 PolarHBondContact O-N 3.16Å; I199-A202 PolarHBondContact O-N 3.03Å; A200-A202 VanDerWaalsContact C-N 3.34Å; A200-A202 PolarHBondContact O-N 3.16Å; A202-A206 PolarHBondContact O-N 3.37Å
203L86.4Confident87.7Confident119 Ų11950.7 Ų50.762%0.62327%0.271SS*.Hα-helixtrans-73.7-45.7178.7-168.1154.2000111.7I199 A200 V201 Q205 A206 Y207I199-L203 PolarHBondContact O-N 2.93Å; A200-L203 PolarHBondContact O-N 3.08Å; V201-L203 VanDerWaalsContact C-N 3.33Å; V201-L203 PolarHBondContact O-N 2.96Å; L203-Q205 VanDerWaalsContact C-N 3.26Å; L203-Q205 PolarHBondContact O-N 2.65Å; L203-A206 PolarHBondContact O-N 3.38Å; L203-Y207 PolarHBondContact O-N 2.93Å
204I88.8Confident87.1Confident98 Ų9845.1 Ų45.150%0.50324%0.242SC..Hα-helixtrans-60.4-40.3178.3-68.1166.3000110.5A200 V201 A206 Y207 V208A200-I204 VanDerWaalsContact O-CG1 3.28Å; A200-I204 WeakPolarHBondContact O-CG1 3.28Å; A200-I204 PolarHBondContact O-N 3.45Å; V201-I204 PolarHBondContact O-N 2.75Å; I204-A206 PolarHBondContact O-N 3.45Å; I204-Y207 WeakPolarHBondContact O-CB 3.43Å; I204-Y207 PolarHBondContact O-N 3.05Å; I204-V208 HydrophobicContact CG2-CG2 4.08Å; I204-V208 WeakPolarHBondContact O-CG2 3.36Å; I204-V208 PolarHBondContact O-N 3.4Å
205Q86.1Confident86.5Confident11 Ų1147.7 Ų47.75%0.05126%0.255CS..Hα-helixtrans-65-39.7-178.7-175.765.3500112.2L155 V201 L203 Y207 F209L155-Q205 HydrophobicContact CB-CG 4.34Å; L155-Q205 HydrophobicContact CD1-CB 4.43Å; L155-Q205 HydrophobicContact CD1-CG 3.44Å; L155-Q205 VanDerWaalsContact CD1-CG 3.44Å; L155-Q205 HydrophobicContact CG-CG 4.49Å; L155-Q205 VanDerWaalsContact N-NE2 3.1Å; V201-Q205 WeakPolarHBondContact O-CB 3.42Å; V201-Q205 PolarHBondContact O-N 2.9Å; L203-Q205 VanDerWaalsContact C-N 3.26Å; L203-Q205 PolarHBondContact O-N 2.65Å; Q205-Y207 VanDerWaalsContact C-N 3.32Å; Q205-Y207 PolarHBondContact O-N 3.33Å; Q205-F209 WeakPolarHBondContact O-CB 3.42Å; Q205-F209 PolarHBondContact O-N 3.35Å
206A86.7Confident85.8Confident1 Ų146.5 Ų46.51%0.00825%0.245CC..Hα-helixtrans-61.7-42.4173.300000111.4I71 I74 A75 A202 L203 I204 T210I71-A206 HydrophobicContact CG1-CB 4.47Å; I74-A206 HydrophobicContact CB-CB 4.1Å; I74-A206 HydrophobicContact CG2-CB 3.8Å; A75-A206 HydrophobicContact CB-CB 4Å; A202-A206 PolarHBondContact O-N 3.37Å; L203-A206 PolarHBondContact O-N 3.38Å; I204-A206 PolarHBondContact O-N 3.45Å; A206-T210 WeakPolarHBondContact O-CG2 3.49Å; A206-T210 PolarHBondContact O-N 3.13Å; A206-T210 PolarHBondContact O-OG1 3.35Å
207Y87.4Confident85Confident99 Ų9941.8 Ų41.839%0.38822%0.221SC..Hα-helixtrans-62.9-52.5176.8177.2-100.6000112.2I71 L203 I204 Q205 F209 T210 L211I71-Y207 HydrophobicContact CD1-CD2 4.26Å; L203-Y207 PolarHBondContact O-N 2.93Å; I204-Y207 WeakPolarHBondContact O-CB 3.43Å; I204-Y207 PolarHBondContact O-N 3.05Å; Q205-Y207 VanDerWaalsContact C-N 3.32Å; Q205-Y207 PolarHBondContact O-N 3.33Å; Y207-F209 VanDerWaalsContact C-N 3.27Å; Y207-F209 PolarHBondContact O-N 3.32Å; Y207-T210 PolarHBondContact O-N 3.32Å; Y207-T210 VanDerWaalsContact O-N 3.15Å; Y207-T210 PolarHBondContact O-OG1 2.66Å; Y207-L211 HydrophobicContact CE1-CD1 3.69Å; Y207-L211 WeakPolarHBondContact O-CB 3.41Å; Y207-L211 PolarHBondContact O-N 3.47Å; Y207-L211 WeakPolarHBondContact OH-CD1 3.44Å
208V87.5Confident84.3Confident43 Ų4341.2 Ų41.226%0.26122%0.216SC..Hα-helixtrans-59.5-38.2179.7172.90000111.5I204 L212I204-V208 HydrophobicContact CG2-CG2 4.08Å; I204-V208 WeakPolarHBondContact O-CG2 3.36Å; I204-V208 PolarHBondContact O-N 3.4Å; V208-L212 HydrophobicContact CG1-CD1 3.85Å; V208-L212 WeakPolarHBondContact O-CB 3.2Å; V208-L212 WeakPolarHBondContact O-CG 3.35Å; V208-L212 PolarHBondContact O-N 3.33Å
209F83.6Confident83.5Confident1 Ų143.8 Ų43.80%0.00423%0.23CC..Hα-helixtrans-56.5-54.2174.2-170.9-81.6000111.4L70 I74 A100 L103 L151 Q205 Y207 L212 V213L70-F209 HydrophobicContact CD1-CE1 4.13Å; L70-F209 HydrophobicContact CD2-CD1 3.83Å; L70-F209 HydrophobicContact CD2-CE1 3.72Å; L70-F209 HydrophobicContact CG-CD1 4.31Å; L70-F209 HydrophobicContact CG-CE1 4.17Å; I74-F209 HydrophobicContact CD1-CB 4.32Å; I74-F209 HydrophobicContact CD1-CD1 3.38Å; I74-F209 HydrophobicContact CD1-CD2 4.31Å; I74-F209 HydrophobicContact CD1-CE1 3.69Å; I74-F209 HydrophobicContact CD1-CG 3.76Å; I74-F209 HydrophobicContact CD1-CZ 4.29Å; A100-F209 HydrophobicContact CB-CE2 4.3Å; A100-F209 HydrophobicContact CB-CZ 4.18Å; L103-F209 HydrophobicContact CD1-CE1 4.04Å; L103-F209 HydrophobicContact CD1-CZ 4.43Å; L151-F209 HydrophobicContact CD1-CD2 4.26Å; L151-F209 HydrophobicContact CD2-CB 4.39Å; L151-F209 HydrophobicContact CD2-CD1 4.29Å; L151-F209 HydrophobicContact CD2-CD2 3.13Å; L151-F209 HydrophobicContact CD2-CE1 4.35Å; L151-F209 HydrophobicContact CD2-CE2 3.21Å; L151-F209 HydrophobicContact CD2-CG 3.7Å; L151-F209 HydrophobicContact CD2-CZ 3.85Å; L151-F209 HydrophobicContact CG-CD2 3.43Å; L151-F209 VanDerWaalsContact CG-CD2 3.43Å; L151-F209 HydrophobicContact CG-CE2 3.75Å; L151-F209 HydrophobicContact CG-CG 4.24Å; Q205-F209 WeakPolarHBondContact O-CB 3.42Å; Q205-F209 PolarHBondContact O-N 3.35Å; Y207-F209 VanDerWaalsContact C-N 3.27Å; Y207-F209 PolarHBondContact O-N 3.32Å; F209-L212 PolarHBondContact O-N 2.95Å; F209-V213 HydrophobicContact CD1-CG2 4.38Å; F209-V213 HydrophobicContact CE1-CG2 4.2Å; F209-V213 WeakPolarHBondContact O-CG2 3.49Å; F209-V213 PolarHBondContact O-N 3.31Å
210T84.6Confident82.5Confident0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-69.5-35.8-177.261.20000113.1L70 I71 A206 Y207 V213 S214L70-T210 HydrophobicContact CB-CG2 4.37Å; L70-T210 HydrophobicContact CD2-CG2 3.72Å; L70-T210 HydrophobicContact CG-CG2 4.06Å; I71-T210 HydrophobicContact CB-CG2 3.45Å; I71-T210 VanDerWaalsContact CB-CG2 3.45Å; I71-T210 HydrophobicContact CD1-CG2 4.45Å; I71-T210 WeakPolarHBondContact CD1-OG1 3.36Å; I71-T210 HydrophobicContact CG1-CG2 3.84Å; A206-T210 WeakPolarHBondContact O-CG2 3.49Å; A206-T210 PolarHBondContact O-N 3.13Å; A206-T210 PolarHBondContact O-OG1 3.35Å; Y207-T210 PolarHBondContact O-N 3.32Å; Y207-T210 VanDerWaalsContact O-N 3.15Å; Y207-T210 PolarHBondContact O-OG1 2.66Å; T210-V213 PolarHBondContact O-N 2.9Å; T210-S214 VanDerWaalsContact O-CB 3.3Å; T210-S214 WeakPolarHBondContact O-CB 3.43Å; T210-S214 PolarHBondContact O-N 3.28Å
211L84.4Confident81.3Confident50 Ų5040.7 Ų40.726%0.26221%0.209SC..Hα-helixtrans-63.4-44.3177.2-175.7148.4000111.3Y207 S214 L215Y207-L211 HydrophobicContact CE1-CD1 3.69Å; Y207-L211 WeakPolarHBondContact O-CB 3.41Å; Y207-L211 PolarHBondContact O-N 3.47Å; Y207-L211 WeakPolarHBondContact OH-CD1 3.44Å; L211-S214 WeakPolarHBondContact O-CB 3.49Å; L211-S214 PolarHBondContact O-N 3.19Å; L211-S214 PolarHBondContact O-OG 3Å; L211-L215 PolarHBondContact O-N 3.18Å
212L81.9Confident80.9Confident35 Ų3540.6 Ų40.618%0.18321%0.206CC..Hα-helixtrans-62.6-46.9177.3-78.5165000111.4L151 V208 F209 S214 L215 Y216L151-L212 HydrophobicContact CD1-CD1 3.43Å; L151-L212 VanDerWaalsContact CD1-CD1 3.43Å; V208-L212 HydrophobicContact CG1-CD1 3.85Å; V208-L212 WeakPolarHBondContact O-CB 3.2Å; V208-L212 WeakPolarHBondContact O-CG 3.35Å; V208-L212 PolarHBondContact O-N 3.33Å; F209-L212 PolarHBondContact O-N 2.95Å; L212-S214 PolarHBondContact O-N 2.99Å; L212-L215 PolarHBondContact O-N 3.09Å; L212-L215 VanDerWaalsContact O-N 3.14Å; L212-Y216 WeakPolarHBondContact O-CD2 3.43Å; L212-Y216 PolarHBondContact O-N 2.8Å
213V80.7Confident80.5Confident13 Ų1342.3 Ų42.38%0.07921%0.214CC..Hα-helixtrans-57-40.2174.2179.10000111.2L67 F209 T210 Y216 L217L67-V213 HydrophobicContact CD2-CB 4.12Å; L67-V213 HydrophobicContact CD2-CG1 3.74Å; F209-V213 HydrophobicContact CD1-CG2 4.38Å; F209-V213 HydrophobicContact CE1-CG2 4.2Å; F209-V213 WeakPolarHBondContact O-CG2 3.49Å; F209-V213 PolarHBondContact O-N 3.31Å; T210-V213 PolarHBondContact O-N 2.9Å; V213-Y216 PolarHBondContact O-N 3.18Å; V213-L217 PolarHBondContact O-N 3.2Å
214S81.6Confident80.2Confident3 Ų338.1 Ų38.12%0.02119%0.192CC..Hα-helixtrans-66.9-41177.789.70000112.2H56 T210 L211 L212 Y216 L217 H218H56-S214 PolarHBondContact NE2-O 3.04Å; T210-S214 VanDerWaalsContact O-CB 3.3Å; T210-S214 WeakPolarHBondContact O-CB 3.43Å; T210-S214 PolarHBondContact O-N 3.28Å; L211-S214 WeakPolarHBondContact O-CB 3.49Å; L211-S214 PolarHBondContact O-N 3.19Å; L211-S214 PolarHBondContact O-OG 3Å; L212-S214 PolarHBondContact O-N 2.99Å; S214-Y216 VanDerWaalsContact C-N 3.34Å; S214-Y216 PolarHBondContact O-N 3.3Å; S214-L217 WeakPolarHBondContact O-CB 3.36Å; S214-L217 PolarHBondContact O-N 3.36Å; S214-L217 VanDerWaalsContact O-N 3.15Å; S214-H218 PolarHBondContact O-N 3.23Å
215L79.1Confident79.7Confident79 Ų7934.5 Ų34.541%0.41417%0.173SC..Hα-helixtrans-63.8-41.9177.5-172.8150000110.7L211 L212 L217 H218 D219L211-L215 PolarHBondContact O-N 3.18Å; L212-L215 PolarHBondContact O-N 3.09Å; L212-L215 VanDerWaalsContact O-N 3.14Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 PolarHBondContact O-N 3.47Å; L215-H218 WeakPolarHBondContact O-CB 3.42Å; L215-H218 PolarHBondContact O-N 3.47Å; L215-H218 VanDerWaalsContact O-N 3.14Å; L215-D219 WeakPolarHBondContact CD2-OD2 3.28Å; L215-D219 PolarHBondContact O-N 3.16Å
216Y75.4Confident79.3Confident24 Ų2436 Ų369%0.09418%0.181CC..Hα-helixtrans-61.6-40.6173.2-71.2-65.5000113.2Q147 L212 V213 S214 H218 D219 N220Q147-Y216 WeakPolarHBondContact CB-OH 3.32Å; Q147-Y216 WeakPolarHBondContact CG-OH 3.48Å; Q147-Y216 PolarHBondContact NE2-OH 3.48Å; Q147-Y216 VanDerWaalsContact OE1-CZ 3.29Å; Q147-Y216 PolarHBondContact OE1-OH 3.34Å; L212-Y216 WeakPolarHBondContact O-CD2 3.43Å; L212-Y216 PolarHBondContact O-N 2.8Å; V213-Y216 PolarHBondContact O-N 3.18Å; S214-Y216 VanDerWaalsContact C-N 3.34Å; S214-Y216 PolarHBondContact O-N 3.3Å; Y216-H218 VanDerWaalsContact C-N 3.25Å; Y216-H218 PolarHBondContact O-N 3.49Å; Y216-D219 PolarHBondContact O-N 3.04Å; Y216-N220 VanDerWaalsContact O-CB 3.27Å; Y216-N220 WeakPolarHBondContact O-CB 3.24Å; Y216-N220 PolarHBondContact O-N 2.88Å; Y216-N220 PolarHBondContact O-ND2 3.41Å
217L74.9Confident78.8Confident3 Ų338.3 Ų38.32%0.01619%0.192CC..Hα-helixtrans-63-40.2176.9-166.777.9000110.2W63 A107 V213 S214 L215 N220 T221W63-L217 HydrophobicContact CB-CD2 3.4Å; W63-L217 VanDerWaalsContact CB-CD2 3.4Å; W63-L217 HydrophobicContact CD2-CD1 3.86Å; W63-L217 HydrophobicContact CD2-CD2 4.24Å; W63-L217 HydrophobicContact CE3-CD1 4.2Å; W63-L217 HydrophobicContact CG-CD1 3.97Å; W63-L217 HydrophobicContact CG-CD2 3.59Å; W63-L217 HydrophobicContact CG-CG 4.46Å; A107-L217 HydrophobicContact CB-CD1 4.5Å; V213-L217 PolarHBondContact O-N 3.2Å; S214-L217 WeakPolarHBondContact O-CB 3.36Å; S214-L217 PolarHBondContact O-N 3.36Å; S214-L217 VanDerWaalsContact O-N 3.15Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 PolarHBondContact O-N 3.47Å; L217-N220 PolarHBondContact O-N 3.31Å; L217-T221 HydrophobicContact CG-CG2 4.32Å; L217-T221 WeakPolarHBondContact O-CB 3.44Å; L217-T221 WeakPolarHBondContact O-CG2 3.29Å; L217-T221 PolarHBondContact O-N 3.44Å; L217-T221 VanDerWaalsContact O-N 3.11Å; L217-T221 PolarHBondContact O-OG1 3.39Å
218H76Confident78.2Confident91 Ų9134 Ų3442%0.42118%0.178SC..Hα-helixtrans-59.6-52.4174.8-173.888.4000111.8M55 S214 L215 Y216 N220 T221M55-H218 PolarHBondContact O-CE1 2.99Å; M55-H218 VanDerWaalsContact O-CE1 3.29Å; M55-H218 PolarHBondContact O-ND1 3.34Å; S214-H218 PolarHBondContact O-N 3.23Å; L215-H218 WeakPolarHBondContact O-CB 3.42Å; L215-H218 PolarHBondContact O-N 3.47Å; L215-H218 VanDerWaalsContact O-N 3.14Å; Y216-H218 VanDerWaalsContact C-N 3.25Å; Y216-H218 PolarHBondContact O-N 3.49Å; H218-N220 PolarHBondContact O-N 3.28Å; H218-T221 PolarHBondContact O-N 2.96Å; H218-T221 VanDerWaalsContact O-N 3.14Å; H218-T221 PolarHBondContact O-OG1 3.26Å
219D72Confident77.5Confident72 Ų7233.3 Ų33.339%0.38517%0.172SC..Hα-helixtrans-60.9-30.5-179.4-65.9-15.2000112.6L215 Y216L215-D219 WeakPolarHBondContact CD2-OD2 3.28Å; L215-D219 PolarHBondContact O-N 3.16Å; Y216-D219 PolarHBondContact O-N 3.04Å
220N68.2Low77Confident29 Ų2936 Ų3616%0.15519%0.186CC..THydrogen-bonded Turntrans-91-3.7-179.4-75.7-71.1000114.5G111 S114 Y216 L217 H218G111-N220 VanDerWaalsContact CA-O 3.31Å; G111-N220 WeakPolarHBondContact CA-O 3.36Å; S114-N220 PolarHBondContact OG-O 2.8Å; Y216-N220 VanDerWaalsContact O-CB 3.27Å; Y216-N220 WeakPolarHBondContact O-CB 3.24Å; Y216-N220 PolarHBondContact O-N 2.88Å; Y216-N220 PolarHBondContact O-ND2 3.41Å; L217-N220 PolarHBondContact O-N 3.31Å; H218-N220 PolarHBondContact O-N 3.28Å
221T64.8Low76.3Confident33 Ų3339.3 Ų39.320%0.20220%0.203CC..  trans-110.10-179.557.30000114K115 L217 H218K115-T221 WeakPolarHBondContact CE-O 3.42Å; K115-T221 PolarHBondContact NZ-O 3.49Å; L217-T221 HydrophobicContact CG-CG2 4.32Å; L217-T221 WeakPolarHBondContact O-CB 3.44Å; L217-T221 WeakPolarHBondContact O-CG2 3.29Å; L217-T221 PolarHBondContact O-N 3.44Å; L217-T221 VanDerWaalsContact O-N 3.11Å; L217-T221 PolarHBondContact O-OG1 3.39Å; H218-T221 PolarHBondContact O-N 2.96Å; H218-T221 VanDerWaalsContact O-N 3.14Å; H218-T221 PolarHBondContact O-OG1 3.26Å

Retrieved 221 of 221 residues in 389.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).