A0A023R5M9_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023R5M9, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.4Low73.5Confident206 Ų20697.6 Ų97.6100%1.01553%0.526SS*.  0-35.60-77.2175.3116.200113E3 N4M1-E3 PolarHBondContact O-N 3.4Å; M1-N4 PolarHBondContact O-N 3.33Å
2N52.5Low74.4Confident145 Ų14592.7 Ų92.778%0.77550%0.503SS*.Hα-helixtrans-61.5-36.5-178.5-87.317.3000115.8N4N2-N4 VanDerWaalsContact C-N 3.35Å; N2-N4 PolarHBondContact O-N 3.35Å
3E57.3Low75.4Confident155 Ų15593.2 Ų93.272%0.72451%0.511SS*.Hα-helixtrans-74.3-23.1-177.9-68.4-86.3138.700113.3M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.4Å; E3-L5 VanDerWaalsContact C-N 3.33Å; E3-L5 PolarHBondContact O-N 3.12Å; E3-F6 PolarHBondContact O-N 3.31Å; E3-A7 PolarHBondContact O-N 3.1Å
4N74.8Confident76.2Confident114 Ų11494.6 Ų94.661%0.6152%0.516SS*.Hα-helixtrans-72.8-27.5-171.2-67.28.2000112.6M1 N2M1-N4 PolarHBondContact O-N 3.33Å; N2-N4 VanDerWaalsContact C-N 3.35Å; N2-N4 PolarHBondContact O-N 3.35Å
5L76.3Confident76.9Confident45 Ų45100 Ų10024%0.23654%0.543CS..Hα-helixtrans-70.3-35.6179.4-69.6173.9000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.33Å; E3-L5 PolarHBondContact O-N 3.12Å; L5-H172 VanDerWaalsContact CD2-CE1 3.46Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.46Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.28Å; L5-L173 HydrophobicContact CD1-CD2 4.14Å; L5-L173 HydrophobicContact CD2-CD2 4.26Å
6F82.2Confident77.3Confident117 Ų11798.1 Ų98.151%0.51355%0.554SS.*Hα-helixtrans-93.2-9.7-177.2-66.9-75.8000113.6E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.31Å; F6-S8 PolarHBondContact O-N 2.92Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.37Å; F6-F9 PolarHBondContact O-N 3.4Å; F6-L169 HydrophobicContact CD1-CD2 4.41Å; F6-L169 HydrophobicContact CE1-CD1 4.1Å; F6-L169 HydrophobicContact CE1-CD2 4.04Å; F6-L169 HydrophobicContact CZ-CD2 4.45Å
7A80.6Confident77.8Confident54 Ų5499.8 Ų99.845%0.44656%0.561SS.*G310 helixtrans-54.5-33.9179.800000113.1E3 F9 I10E3-A7 PolarHBondContact O-N 3.1Å; A7-F9 PolarHBondContact O-N 3.34Å; A7-I10 PolarHBondContact O-N 2.95Å
8S80.3Confident78.2Confident56 Ų5698.6 Ų98.639%0.39256%0.558SS.*G310 helixtrans-69-19.1177.258.90000114.3F6 F92F6-S8 PolarHBondContact O-N 2.92Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 3.1Å
9F82.9Confident78.6Confident20 Ų2094.3 Ų94.39%0.08854%0.536CS..G310 helixtrans-94.1-10.2178.3-58.2-70.8000112.8F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.37Å; F6-F9 PolarHBondContact O-N 3.4Å; A7-F9 PolarHBondContact O-N 3.34Å; F9-A11 PolarHBondContact O-N 2.96Å; F9-T96 HydrophobicContact CD1-CG2 3.87Å; F9-T96 HydrophobicContact CE1-CG2 3.76Å; F9-Q97 PolarHBondContact O-NE2 3.5Å; F9-T165 HydrophobicContact CD1-CG2 4.42Å; F9-T165 HydrophobicContact CE1-CG2 4.14Å; F9-H168 HydrophobicContact CE1-CB 4.09Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; F9-L169 HydrophobicContact CE2-CD1 4.46Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.91Å
10I84.9Confident79Confident111 Ų11190.6 Ų90.657%0.56952%0.517SS*.SBendtrans-69.8129.7178.4-58.6174.9000108.4A7 P12A7-I10 PolarHBondContact O-N 2.95Å; I10-P12 WeakPolarHBondContact O-CD 3.38Å
11A83.7Confident79.3Confident51 Ų5190.2 Ų90.242%0.42152%0.516SS..PPolyproline II helixtrans-58.8120.9179.800000110.1F9 T13 F92F9-A11 PolarHBondContact O-N 2.96Å; A11-T13 PolarHBondContact O-N 3.26Å; A11-F92 HydrophobicContact CB-CZ 4.46Å
12P83.9Confident80.9Confident38 Ų3886.7 Ų86.725%0.24750%0.501CS..PPolyproline II helixtrans-70.8127.7-173.826.7-33.1000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.38Å; P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.28Å; P12-A19 WeakPolarHBondContact O-CB 3.49Å; P12-A19 PolarHBondContact O-N 3.42Å; P12-I23 HydrophobicContact CG-CD1 3.63Å; P12-F92 HydrophobicContact CG-CB 4.38Å; P12-F92 HydrophobicContact CG-CD1 4.12Å; P12-F92 HydrophobicContact CG-CG 4.09Å
13T86.9Confident82.6Confident99 Ų9982.1 Ų82.161%0.60748%0.476SS*.EExtended strand (participates in β ladder)trans-116.8127.217057.60000108.6A11 L17A11-T13 PolarHBondContact O-N 3.26Å; T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å
14I87.5Confident84.1Confident114 Ų11477.2 Ų77.259%0.58545%0.454SS*.EExtended strand (participates in β ladder)trans-113.3122.5175.8-62.8172.5000106.2G16 L17 A19I14-G16 PolarHBondContact O-N 3.18Å; I14-G16 VanDerWaalsContact O-N 3.13Å; I14-L17 PolarHBondContact N-O 3.01Å; I14-L17 PolarHBondContact O-N 3.45Å; I14-A19 HydrophobicContact CD1-CB 3.89Å; I14-A19 HydrophobicContact CG1-CB 3.98Å
15L85.9Confident84.7Confident175 Ų17577.4 Ų77.492%0.91646%0.455SS*.THydrogen-bonded Turntrans5628.8179.2-109.8117.7000114.3L17L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 2.99Å
16G84.3Confident85.3Confident70 Ų7079.7 Ų79.772%0.72246%0.463SS*.THydrogen-bonded Turntrans81.9-2.4-176.700000115I14I14-G16 PolarHBondContact O-N 3.18Å; I14-G16 VanDerWaalsContact O-N 3.13Å
17L84.9Confident85.7Confident127 Ų12774.3 Ų74.367%0.66544%0.439SS*.EExtended strand (participates in β ladder)trans-93.7139.6172.6-67.5169.2000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å; I14-L17 PolarHBondContact N-O 3.01Å; I14-L17 PolarHBondContact O-N 3.45Å; L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 2.99Å; L17-A19 PolarHBondContact O-N 3.26Å
18P85.4Confident85.9Confident78 Ų7875 Ų7551%0.50644%0.44SS..EExtended strand (participates in β ladder)trans-70.5104.217728.7-33.1000110.5A20 V21P18-A20 PolarHBondContact O-N 3.12Å; P18-V21 HydrophobicContact CG-CG2 4.31Å; P18-V21 PolarHBondContact O-N 2.96Å
19A86.3Confident86.3Confident17 Ų1779 Ų7914%0.1446%0.456CS..THydrogen-bonded Turntrans-68.9-16.4176.500000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.28Å; P12-A19 WeakPolarHBondContact O-CB 3.49Å; P12-A19 PolarHBondContact O-N 3.42Å; I14-A19 HydrophobicContact CD1-CB 3.89Å; I14-A19 HydrophobicContact CG1-CB 3.98Å; L17-A19 PolarHBondContact O-N 3.26Å; A19-V21 PolarHBondContact O-N 3.36Å; A19-L22 PolarHBondContact O-N 3.45Å; A19-L22 VanDerWaalsContact O-N 3.07Å; A19-I23 WeakPolarHBondContact O-CG1 3.31Å; A19-I23 PolarHBondContact O-N 3.04Å
20A85.8Confident86.6Confident19 Ų1981.8 Ų81.816%0.15747%0.471CS..Hα-helixtrans-53.1-34.2174.200000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.12Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.42Å; A20-I23 PolarHBondContact O-N 2.77Å; A20-I24 WeakPolarHBondContact O-CD1 3.44Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 2.93Å; A20-I24 PolarHBondContact O-N 3.22Å; A20-F92 HydrophobicContact CB-CE1 4.37Å
21V85.7Confident86.7Confident83 Ų8379.1 Ų79.150%0.50346%0.457SS..Hα-helixtrans-63.2-42.5178.6-1800000111.1P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.31Å; P18-V21 PolarHBondContact O-N 2.96Å; A19-V21 PolarHBondContact O-N 3.36Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3Å; V21-I24 PolarHBondContact O-N 3.35Å; V21-L25 HydrophobicContact CG1-CD1 4.17Å; V21-L25 WeakPolarHBondContact O-CG 3.29Å; V21-L25 PolarHBondContact O-N 2.93Å; V21-L25 VanDerWaalsContact O-N 3.1Å
22L86.6Confident86.9Confident133 Ų13379.5 Ų79.570%0.69646%0.455SS*.Hα-helixtrans-66.5-37.4178.9-170137.1000111.3A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.45Å; A19-L22 VanDerWaalsContact O-N 3.07Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.42Å; L22-L25 PolarHBondContact O-N 3.1Å; L22-F26 PolarHBondContact O-N 3.31Å
23I88.4Confident87.1Confident49 Ų4984.1 Ų84.125%0.25148%0.483SS..Hα-helixtrans-66.6-41.5176.9-59.9170.1000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.63Å; A19-I23 WeakPolarHBondContact O-CG1 3.31Å; A19-I23 PolarHBondContact O-N 3.04Å; A20-I23 PolarHBondContact O-N 2.77Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.27Å; I23-F26 WeakPolarHBondContact O-CB 3.34Å; I23-F26 PolarHBondContact O-N 3.42Å; I23-P27 VanDerWaalsContact O-CD 3.24Å; I23-P27 WeakPolarHBondContact O-CD 3.13Å; I23-F92 HydrophobicContact CD1-CB 4.03Å; I23-F92 HydrophobicContact CD1-CD1 3.82Å; I23-F92 HydrophobicContact CD1-CG 4.31Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å; I23-F92 WeakPolarHBondContact CG2-O 3.3Å
24I88.7Confident87.1Confident52 Ų5281.1 Ų81.127%0.26747%0.466SS..Hα-helixtrans-64.9-32.9176.9-68.7163.5000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 3.44Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 2.93Å; A20-I24 PolarHBondContact O-N 3.22Å; V21-I24 PolarHBondContact O-N 3.35Å; I24-F26 VanDerWaalsContact C-N 3.33Å; I24-P27 WeakPolarHBondContact O-CD 3.36Å; I24-F78 HydrophobicContact CG2-CZ 4.31Å; I24-P94 HydrophobicContact CD1-CB 4.29Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; I24-M100 HydrophobicContact CD1-SD 4.42Å; I24-M100 HydrophobicContact CG2-CE 4.44Å
25L88.2Confident87Confident118 Ų11886 Ų8662%0.61848%0.483SS*.Hα-helixtrans-79.9-12178.3-71.7172.2000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.17Å; V21-L25 WeakPolarHBondContact O-CG 3.29Å; V21-L25 PolarHBondContact O-N 2.93Å; V21-L25 VanDerWaalsContact O-N 3.1Å; L22-L25 PolarHBondContact O-N 3.1Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.27Å; L25-P28 WeakPolarHBondContact O-CD 3.45Å
26F89.3Confident87.1Confident93 Ų9386.4 Ų86.441%0.40847%0.474SS..Hα-helixtrans-69.1-45.7-177.4-169.7-101.1000114.8L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.31Å; I23-F26 WeakPolarHBondContact O-CB 3.34Å; I23-F26 PolarHBondContact O-N 3.42Å; I24-F26 VanDerWaalsContact C-N 3.33Å; F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.25Å; F26-L29 PolarHBondContact O-N 2.91Å; F26-L30 HydrophobicContact CD1-CD1 4.37Å; F26-L30 HydrophobicContact CE1-CD1 4.09Å; F26-L30 HydrophobicContact CE1-CD2 4.07Å; F26-L30 HydrophobicContact CE1-CG 4.2Å; F26-L30 HydrophobicContact CZ-CD2 4.23Å; F26-L85 HydrophobicContact CD1-CD1 4.32Å; F26-L85 HydrophobicContact CD1-CD2 3.75Å; F26-L85 HydrophobicContact CE1-CD2 3.62Å
27P89.4Confident86.9Confident3 Ų391.4 Ų91.42%0.01948%0.483CS..Hα-helixtrans-56.1-42.9-179.8-99000115.2I23 I24 L29 L30 T81 T82 L85I23-P27 VanDerWaalsContact O-CD 3.24Å; I23-P27 WeakPolarHBondContact O-CD 3.13Å; I24-P27 WeakPolarHBondContact O-CD 3.36Å; P27-L29 PolarHBondContact O-N 3.48Å; P27-L30 WeakPolarHBondContact O-CB 3.5Å; P27-L30 PolarHBondContact O-N 3.11Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P27-T81 WeakPolarHBondContact CB-OG1 3.28Å; P27-T82 HydrophobicContact CB-CG2 4.16Å; P27-T82 HydrophobicContact CG-CG2 3.37Å; P27-L85 HydrophobicContact CB-CD1 3.85Å; P27-L85 HydrophobicContact CG-CD1 4.01Å
28P85.7Confident86.9Confident70 Ų7092.8 Ų92.846%0.45549%0.49SS..Hα-helixtrans-55.7-34173.7-27.433.4000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.45Å; P28-L30 PolarHBondContact O-N 3.38Å; P28-I31 PolarHBondContact O-N 3.32Å
29L88.8Confident87.1Confident139 Ų13990.4 Ų90.473%0.72847%0.472SS*.Hα-helixtrans-67.9-25.1179.8-171.267.5000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.25Å; F26-L29 PolarHBondContact O-N 2.91Å; P27-L29 PolarHBondContact O-N 3.48Å; L29-I31 PolarHBondContact O-N 3.21Å
30L87.9Confident87.3Confident78 Ų7895 Ų9541%0.40850%0.495SS..THydrogen-bonded Turntrans-74.3-5.7178.3-63.3176.7000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.37Å; F26-L30 HydrophobicContact CE1-CD1 4.09Å; F26-L30 HydrophobicContact CE1-CD2 4.07Å; F26-L30 HydrophobicContact CE1-CG 4.2Å; F26-L30 HydrophobicContact CZ-CD2 4.23Å; P27-L30 WeakPolarHBondContact O-CB 3.5Å; P27-L30 PolarHBondContact O-N 3.11Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P28-L30 PolarHBondContact O-N 3.38Å; L30-P32 VanDerWaalsContact C-CD 3.45Å; L30-P32 WeakPolarHBondContact O-CD 3.41Å; L30-Q46 PolarHBondContact O-NE2 3.12Å; L30-L85 HydrophobicContact CD1-CD1 3.49Å; L30-L85 VanDerWaalsContact CD1-CD1 3.49Å; L30-L85 HydrophobicContact CD1-CD2 3.95Å; L30-L85 HydrophobicContact CD1-CG 4.02Å
31I88.4Confident87.5Confident56 Ų56104.1 Ų104.129%0.28753%0.525SS..SBendtrans-107.284.4-177.3-51.8173.4000108.6P28 L29 T33 I77P28-I31 PolarHBondContact O-N 3.32Å; L29-I31 PolarHBondContact O-N 3.21Å; I31-T33 PolarHBondContact O-N 3.15Å; I31-I77 HydrophobicContact CD1-CG2 3.35Å
32P87.1Confident87.7Confident58 Ų58104.5 Ų104.538%0.37752%0.524SS..  trans-68133.7178.527.4-34.4000111.1L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.45Å; L30-P32 WeakPolarHBondContact O-CD 3.41Å; P32-L42 HydrophobicContact CG-CD2 3.84Å; P32-I43 HydrophobicContact CB-CD1 4.39Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.45Å; P32-I43 HydrophobicContact CG-CG1 3.99Å
33T87.4Confident87.9Confident135 Ų13599 Ų9983%0.82850%0.495SS*.  trans-101.8136.1169.660.70000110I31I31-T33 PolarHBondContact O-N 3.15Å
34S87.6Confident88.1Confident37 Ų3799.8 Ų99.826%0.25950%0.502SS..  trans-121.4150.7171.456.70000111.5N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.33Å; S34-N39 PolarHBondContact OG-ND2 3.48Å; S34-N39 PolarHBondContact OG-OD1 3.07Å; S34-I43 WeakPolarHBondContact OG-CD1 3.44Å
35K86.4Confident88.2Confident215 Ų215101.4 Ų101.494%0.93552%0.515SS*.  trans-89.7-11.9178.4-61.9-178.7-178.61780113.2
36Y86.9Confident88.4Confident185 Ų18598 Ų9873%0.72550%0.495SS*.SBendtrans-81.3151.9-175.1-59.7-72000111.8N39Y36-N39 VanDerWaalsContact O-CG 3.27Å; Y36-N39 PolarHBondContact O-ND2 3.28Å; Y36-N39 VanDerWaalsContact O-ND2 3.13Å; Y36-N39 PolarHBondContact O-OD1 3.26Å
37L79.9Confident88.4Confident175 Ų17598.1 Ų98.192%0.91650%0.498SS*.SBendtrans-71.5-40.5176.8-172.374000111.3
38I85.8Confident88.6Confident156 Ų156106 Ų10680%0.853%0.527SS*.SBendtrans-100.4115.3174.6-56.7173.7000107.3
39N89.1Confident88.9Confident27 Ų27107.2 Ų107.214%0.14453%0.529CS..  trans-113.1168.3-173.1-70.4-32.9000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.33Å; S34-N39 PolarHBondContact OG-ND2 3.48Å; S34-N39 PolarHBondContact OG-OD1 3.07Å; Y36-N39 VanDerWaalsContact O-CG 3.27Å; Y36-N39 PolarHBondContact O-ND2 3.28Å; Y36-N39 VanDerWaalsContact O-ND2 3.13Å; Y36-N39 PolarHBondContact O-OD1 3.26Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.85Å; N39-T44 HydrophobicContact CB-CG2 4.17Å; N39-Q47 PolarHBondContact ND2-NE2 3.48Å
40N89.7Confident89Confident115 Ų115103.5 Ų103.562%0.61551%0.509SS*.  trans-63.6153.8173.1-163.30.9000111L42 I43 T44N40-L42 PolarHBondContact O-N 3.44Å; N40-L42 VanDerWaalsContact O-N 3.11Å; N40-I43 PolarHBondContact O-N 3.44Å; N40-T44 PolarHBondContact O-N 2.87Å
41R89.7Confident89.2Confident209 Ų209107 Ų10779%0.78952%0.521SS*.Hα-helixtrans-52.6-36.7-177.3-64.8-177.5-179179.90.8113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.19Å; R41-T44 PolarHBondContact O-N 3.5Å; R41-T44 PolarHBondContact O-OG1 3.32Å; R41-T45 WeakPolarHBondContact O-CG2 3.3Å; R41-T45 PolarHBondContact O-N 3.34Å; R41-T45 PolarHBondContact O-OG1 3.4Å
42L90.1Very high89.4Confident91 Ų91107.5 Ų107.548%0.47652%0.524SS..Hα-helixtrans-66.3-42.5178.7-165.2159.3000111.4P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.84Å; N40-L42 PolarHBondContact O-N 3.44Å; N40-L42 VanDerWaalsContact O-N 3.11Å; L42-T45 PolarHBondContact O-OG1 2.95Å; L42-Q46 HydrophobicContact CD2-CG 4.13Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.26Å; L42-Q46 WeakPolarHBondContact O-CB 3.3Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.22Å; L42-Q46 PolarHBondContact O-N 3.13Å
43I92Very high89.5Confident18 Ų18105.9 Ų105.99%0.09251%0.513CS..Hα-helixtrans-71-36.8179.4-60.1175000110.2P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.39Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.45Å; P32-I43 HydrophobicContact CG-CG1 3.99Å; S34-I43 WeakPolarHBondContact OG-CD1 3.44Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.85Å; N40-I43 PolarHBondContact O-N 3.44Å; I43-Q46 PolarHBondContact O-N 2.83Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.33Å; I43-Q47 VanDerWaalsContact O-CG 3.26Å; I43-Q47 WeakPolarHBondContact O-CG 3.28Å; I43-Q47 PolarHBondContact O-N 3.37Å
44T91.7Very high89.6Confident65 Ų65100.9 Ų100.940%0.39948%0.484SS..Hα-helixtrans-67.5-40.2177.6600000112.2N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.17Å; N40-T44 PolarHBondContact O-N 2.87Å; R41-T44 WeakPolarHBondContact CA-OG1 3.19Å; R41-T44 PolarHBondContact O-N 3.5Å; R41-T44 PolarHBondContact O-OG1 3.32Å; T44-Q47 PolarHBondContact O-N 3.34Å; T44-W48 WeakPolarHBondContact O-CB 3.4Å; T44-W48 PolarHBondContact O-N 3.49Å
45T91.4Very high89.7Confident87 Ų87106.8 Ų106.853%0.53451%0.505SS..Hα-helixtrans-66.9-39.3174.357.10000111.8R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.3Å; R41-T45 PolarHBondContact O-N 3.34Å; R41-T45 PolarHBondContact O-OG1 3.4Å; L42-T45 PolarHBondContact O-OG1 2.95Å; T45-W48 PolarHBondContact O-N 2.93Å; T45-L49 WeakPolarHBondContact O-CB 3.27Å; T45-L49 PolarHBondContact O-N 2.85Å
46Q91.3Very high89.8Confident45 Ų45102.5 Ų102.521%0.2149%0.488CS..Hα-helixtrans-60.5-50.6173.3-76.9176.8-20.500111.9L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.12Å; L42-Q46 HydrophobicContact CD2-CG 4.13Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.26Å; L42-Q46 WeakPolarHBondContact O-CB 3.3Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.22Å; L42-Q46 PolarHBondContact O-N 3.13Å; I43-Q46 PolarHBondContact O-N 2.83Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.11Å; Q46-L49 PolarHBondContact O-N 3.13Å; Q46-I50 VanDerWaalsContact O-CG1 3.26Å; Q46-I50 WeakPolarHBondContact O-CG1 3.34Å; Q46-I50 PolarHBondContact O-N 2.96Å
47Q90.6Very high89.7Confident97 Ų9794.3 Ų94.345%0.45346%0.456SS..Hα-helixtrans-60.9-38.6178.2-74.1176-10.700112.1N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.48Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.33Å; I43-Q47 VanDerWaalsContact O-CG 3.26Å; I43-Q47 WeakPolarHBondContact O-CG 3.28Å; I43-Q47 PolarHBondContact O-N 3.37Å; T44-Q47 PolarHBondContact O-N 3.34Å; Q47-K51 WeakPolarHBondContact O-CB 3.42Å; Q47-K51 PolarHBondContact O-N 2.99Å
48W92.8Very high90.1Very high169 Ų16986.8 Ų86.864%0.6442%0.417SS*.Hα-helixtrans-63.5-44.6175.4-179.182000112T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.4Å; T44-W48 PolarHBondContact O-N 3.49Å; T45-W48 PolarHBondContact O-N 2.93Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.11Å; W48-K51 PolarHBondContact O-N 3.33Å; W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.4Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.8Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.64Å; W48-L52 WeakPolarHBondContact O-CG 3.38Å; W48-L52 PolarHBondContact O-N 3.22Å
49L91.4Very high90.1Very high94 Ų9483 Ų8349%0.49241%0.409SS..Hα-helixtrans-64.5-42.7177.9-163153.3000111.7T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.27Å; T45-L49 PolarHBondContact O-N 2.85Å; Q46-L49 PolarHBondContact O-N 3.13Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.31Å; L49-L52 PolarHBondContact O-N 2.78Å; L49-T53 HydrophobicContact CD2-CG2 3.95Å; L49-T53 WeakPolarHBondContact O-CG2 3.3Å; L49-T53 PolarHBondContact O-N 3.27Å; L49-T53 PolarHBondContact O-OG1 3.46Å
50I92Very high89.6Confident61 Ų6188 Ų8831%0.31343%0.433SS..Hα-helixtrans-60.7-43174.7-67.8169.2000111Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.26Å; Q46-I50 WeakPolarHBondContact O-CG1 3.34Å; Q46-I50 PolarHBondContact O-N 2.96Å; I50-T53 WeakPolarHBondContact CA-OG1 3.48Å; I50-T53 PolarHBondContact O-OG1 2.71Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.42Å; I50-S54 PolarHBondContact O-N 3.43Å; I50-S54 PolarHBondContact O-OG 2.96Å; I50-V73 HydrophobicContact CG2-CG1 3.94Å; I50-I77 HydrophobicContact CD1-CD1 4.11Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å
51K91.8Very high89.3Confident151 Ų15182.8 Ų82.866%0.65741%0.405SS*.Hα-helixtrans-65-39.9178.2-171.8178.9-177.8178.90112.3Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.42Å; Q47-K51 PolarHBondContact O-N 2.99Å; W48-K51 PolarHBondContact O-N 3.33Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.31Å; K51-S54 WeakPolarHBondContact CA-OG 3.18Å; K51-S54 PolarHBondContact O-OG 3.27Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 3.34Å; K51-K55 PolarHBondContact O-N 3.17Å; K51-K55 VanDerWaalsContact O-N 3.08Å
52L92.4Very high89Confident68 Ų6877.7 Ų77.736%0.35639%0.394SS..Hα-helixtrans-68.2-50.2178.7-74.9177.9000112.1W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.4Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.8Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.64Å; W48-L52 WeakPolarHBondContact O-CG 3.38Å; W48-L52 PolarHBondContact O-N 3.22Å; L49-L52 PolarHBondContact O-N 2.78Å; L52-K55 PolarHBondContact O-N 2.85Å; L52-Q56 WeakPolarHBondContact O-CG 3.43Å; L52-Q56 PolarHBondContact O-N 2.93Å
53T89.4Confident88.6Confident24 Ų2479 Ų7915%0.14741%0.406CS..Hα-helixtrans-60.7-49-179.949.10000111L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 3.95Å; L49-T53 WeakPolarHBondContact O-CG2 3.3Å; L49-T53 PolarHBondContact O-N 3.27Å; L49-T53 PolarHBondContact O-OG1 3.46Å; I50-T53 WeakPolarHBondContact CA-OG1 3.48Å; I50-T53 PolarHBondContact O-OG1 2.71Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-K55 PolarHBondContact O-N 3.38Å; T53-Q56 PolarHBondContact O-N 3.19Å; T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 2.91Å
54S90.1Very high88Confident29 Ų2984.2 Ų84.220%0.20343%0.427CS..Hα-helixtrans-58.9-43175.757.50000112.7I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.42Å; I50-S54 PolarHBondContact O-N 3.43Å; I50-S54 PolarHBondContact O-OG 2.96Å; K51-S54 WeakPolarHBondContact CA-OG 3.18Å; K51-S54 PolarHBondContact O-OG 3.27Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; S54-Q56 PolarHBondContact O-N 3.37Å; S54-M58 WeakPolarHBondContact O-CB 3.01Å; S54-M58 WeakPolarHBondContact O-CG 3.17Å; S54-M58 PolarHBondContact O-N 2.88Å
55K89.7Confident87.5Confident162 Ų16281.1 Ų81.170%0.70441%0.409SS*.Hα-helixtrans-62.2-43.7178.2-176.5179.6177.5-174.80112K51 L52 T53 A59K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 3.34Å; K51-K55 PolarHBondContact O-N 3.17Å; K51-K55 VanDerWaalsContact O-N 3.08Å; L52-K55 PolarHBondContact O-N 2.85Å; T53-K55 PolarHBondContact O-N 3.38Å; K55-A59 PolarHBondContact O-N 3.1Å
56Q87.2Confident87.1Confident124 Ų12483.6 Ų83.658%0.57941%0.408SS*.Hα-helixtrans-68.5-48-179.3-73.7179.2-22.700111.9L52 T53 S54 M58 A59L52-Q56 WeakPolarHBondContact O-CG 3.43Å; L52-Q56 PolarHBondContact O-N 2.93Å; T53-Q56 PolarHBondContact O-N 3.19Å; S54-Q56 PolarHBondContact O-N 3.37Å; Q56-M58 PolarHBondContact O-N 3.36Å; Q56-A59 PolarHBondContact O-N 3.34Å
57M86Confident87Confident13 Ų1386.4 Ų86.46%0.06443%0.428CS..Hα-helixtrans-67.5-39.1-178.4-62.6-170.5105.500112.2T53 A59 H61 T215T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 2.91Å; M57-A59 VanDerWaalsContact C-N 3.31Å; M57-A59 PolarHBondContact O-N 3.3Å; M57-H61 PolarHBondContact O-ND1 3.46Å; M57-T215 VanDerWaalsContact CE-OG1 3.25Å; M57-T215 WeakPolarHBondContact CE-OG1 3.37Å
58M87.7Confident86.8Confident18 Ų1884 Ų849%0.08942%0.415CS..Hα-helixtrans-79.5-11.3-177.3-63.6-59.6115.500114S54 Q56 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.01Å; S54-M58 WeakPolarHBondContact O-CG 3.17Å; S54-M58 PolarHBondContact O-N 2.88Å; Q56-M58 PolarHBondContact O-N 3.36Å; M58-M60 PolarHBondContact O-N 3.33Å; M58-H61 PolarHBondContact O-N 3.05Å; M58-R66 HydrophobicContact CB-CG 4.45Å; M58-R66 HydrophobicContact SD-CB 4.41Å; M58-R66 HydrophobicContact SD-CG 4.11Å; M58-S69 WeakPolarHBondContact SD-CB 3.23Å; M58-L72 HydrophobicContact CE-CD1 3.74Å
59A85.8Confident86.6Confident77 Ų7777.4 Ų77.464%0.63640%0.395SS*.THydrogen-bonded Turntrans-61.6-32.1176.700000112.2K55 Q56 M57K55-A59 PolarHBondContact O-N 3.1Å; Q56-A59 PolarHBondContact O-N 3.34Å; M57-A59 VanDerWaalsContact C-N 3.31Å; M57-A59 PolarHBondContact O-N 3.3Å
60M78.9Confident86.6Confident131 Ų13180 Ų8065%0.64541%0.408SS*.THydrogen-bonded Turntrans-83.5-9.4-179.7-60-176177.500113.6M58 H223M58-M60 PolarHBondContact O-N 3.33Å; M60-H223 PolarHBondContact O-CE1 2.8Å; M60-H223 PolarHBondContact O-ND1 3.42Å
61H84.1Confident86.6Confident6 Ų680 Ų803%0.02841%0.408CS..  trans-107.4140.2-168-69.977.1000113.9M57 M58 R66 S219M57-H61 PolarHBondContact O-ND1 3.46Å; M58-H61 PolarHBondContact O-N 3.05Å; H61-R66 HydrophobicContact CB-CG 4.34Å; H61-R66 PolarHBondContact O-NE 2.98Å; H61-S219 PolarHBondContact NE2-O 3.48Å
62N81.9Confident86.5Confident102 Ų10272.8 Ų72.855%0.54538%0.376SS..  trans-71.1170.1168.6-76.7-21000112.2K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.21Å; N62-G65 PolarHBondContact O-N 3.41Å; N62-R66 PolarHBondContact O-N 3.16Å
63T81.7Confident86.5Confident119 Ų11970.2 Ų70.273%0.7336%0.363SS*.THydrogen-bonded Turntrans-53.6-38.4-176.353.10000114.1
64K80.7Confident86.6Confident127 Ų12772.1 Ų72.155%0.55238%0.378SS*.THydrogen-bonded Turntrans-67.2-44175.3-70.6-176.2-178.6176.40112.1N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.21Å; K64-R66 VanDerWaalsContact C-N 3.29Å; K64-R66 PolarHBondContact O-N 2.65Å; K64-T67 WeakPolarHBondContact O-CB 3.3Å; K64-T67 PolarHBondContact O-N 3.23Å; K64-T67 PolarHBondContact O-OG1 3.01Å
65G79.8Confident86.7Confident0 Ų071.5 Ų71.50%037%0.372CS..G310 helixtrans-66-31.117800000112.9N62 T67 W68N62-G65 PolarHBondContact O-N 3.41Å; G65-T67 PolarHBondContact O-N 3.01Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 WeakPolarHBondContact O-CB 3.27Å; G65-W68 PolarHBondContact O-N 3.18Å
66R84.7Confident86.8Confident138 Ų13864.6 Ų64.652%0.52134%0.343SS..G310 helixtrans-63-19.4175.6-71.8-179.5-175.2-174.60.3114.2M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.45Å; M58-R66 HydrophobicContact SD-CB 4.41Å; M58-R66 HydrophobicContact SD-CG 4.11Å; H61-R66 HydrophobicContact CB-CG 4.34Å; H61-R66 PolarHBondContact O-NE 2.98Å; N62-R66 PolarHBondContact O-N 3.16Å; K64-R66 VanDerWaalsContact C-N 3.29Å; K64-R66 PolarHBondContact O-N 2.65Å; R66-W68 PolarHBondContact O-N 3.3Å; R66-S69 WeakPolarHBondContact O-CB 3.45Å; R66-S69 PolarHBondContact O-N 3.42Å; R66-S69 VanDerWaalsContact O-N 3.11Å
67T87.2Confident87Confident104 Ų10460.3 Ų60.364%0.63832%0.324SS*.G310 helixtrans-64.5-24.5174.263.20000112.3K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.3Å; K64-T67 PolarHBondContact O-N 3.23Å; K64-T67 PolarHBondContact O-OG1 3.01Å; G65-T67 PolarHBondContact O-N 3.01Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.13Å
68W87.6Confident87.2Confident47 Ų4762 Ų6218%0.17833%0.331CS..G310 helixtrans-84.81.5176.9-71.453000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.27Å; G65-W68 PolarHBondContact O-N 3.18Å; R66-W68 PolarHBondContact O-N 3.3Å; W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 2.8Å; W68-M71 HydrophobicContact CD2-CE 4.05Å; W68-M71 HydrophobicContact CE3-CE 3.06Å; W68-M71 HydrophobicContact CE3-SD 4.04Å; W68-M71 HydrophobicContact CH2-CE 4.48Å; W68-M71 HydrophobicContact CZ3-CE 3.33Å; W68-M71 HydrophobicContact CZ3-SD 4.02Å; W68-M71 PolarHBondContact O-N 2.99Å; W68-M71 VanDerWaalsContact O-N 3.09Å; W68-L72 PolarHBondContact O-N 2.99Å; W68-M115 HydrophobicContact CZ2-SD 3.8Å; W68-M115 PolarHBondContact NE1-SD 3.38Å; W68-L222 HydrophobicContact CB-CD2 3.45Å; W68-L222 VanDerWaalsContact CB-CD2 3.45Å; W68-L222 HydrophobicContact CD2-CD1 3.65Å; W68-L222 HydrophobicContact CD2-CD2 3.92Å; W68-L222 HydrophobicContact CD2-CG 4.45Å; W68-L222 HydrophobicContact CE3-CD1 3.8Å; W68-L222 HydrophobicContact CE3-CD2 4.16Å; W68-L222 HydrophobicContact CG-CD1 4.02Å; W68-L222 HydrophobicContact CG-CD2 3.55Å; W68-L222 HydrophobicContact CG-CG 4.45Å; W68-L222 HydrophobicContact CZ2-CD1 4.4Å; W68-L222 HydrophobicContact CZ3-CD1 4.31Å
69S88.3Confident87.4Confident31 Ų3161.1 Ų61.122%0.21733%0.326CS..Hα-helixtrans-53.5-46.9-178.1-178.40000112.6M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact SD-CB 3.23Å; R66-S69 WeakPolarHBondContact O-CB 3.45Å; R66-S69 PolarHBondContact O-N 3.42Å; R66-S69 VanDerWaalsContact O-N 3.11Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.13Å; S69-M71 VanDerWaalsContact C-N 3.27Å; S69-M71 PolarHBondContact O-N 3.13Å; S69-L72 PolarHBondContact O-N 3.23Å; S69-V73 WeakPolarHBondContact O-CB 3.49Å; S69-V73 VanDerWaalsContact O-CG2 3.22Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.36Å
70L91.4Very high87.6Confident147 Ų14758.9 Ų58.977%0.7731%0.308SS*.Hα-helixtrans-59.2-41.6-179.8-173.475.1000111.8W68 S74W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 2.8Å; L70-S74 WeakPolarHBondContact O-CB 3.3Å; L70-S74 PolarHBondContact O-N 2.92Å; L70-S74 PolarHBondContact O-OG 3.09Å
71M91.6Very high88.2Confident61 Ų6154.3 Ų54.330%0.329%0.287SS..Hα-helixtrans-70.3-44.4-178.5-168.3-167.170.600111.4W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.05Å; W68-M71 HydrophobicContact CE3-CE 3.06Å; W68-M71 HydrophobicContact CE3-SD 4.04Å; W68-M71 HydrophobicContact CH2-CE 4.48Å; W68-M71 HydrophobicContact CZ3-CE 3.33Å; W68-M71 HydrophobicContact CZ3-SD 4.02Å; W68-M71 PolarHBondContact O-N 2.99Å; W68-M71 VanDerWaalsContact O-N 3.09Å; S69-M71 VanDerWaalsContact C-N 3.27Å; S69-M71 PolarHBondContact O-N 3.13Å; M71-V73 PolarHBondContact O-N 3.33Å; M71-S74 WeakPolarHBondContact CA-OG 3.42Å; M71-S74 PolarHBondContact O-N 3.28Å; M71-S74 PolarHBondContact O-OG 2.89Å; M71-L75 WeakPolarHBondContact O-CB 3.44Å; M71-L75 PolarHBondContact O-N 2.91Å; M71-L108 HydrophobicContact CE-CD2 3.34Å; M71-L108 HydrophobicContact CG-CD2 4.2Å; M71-L108 HydrophobicContact SD-CD2 3.44Å; M71-L108 WeakPolarHBondContact SD-CD2 3.48Å
72L90.9Very high88.5Confident0 Ų054.2 Ų54.20%029%0.287CS..Hα-helixtrans-65.1-39.8178.3-71169.3000112.2M58 W68 S69 L75 I76 V218M58-L72 HydrophobicContact CE-CD1 3.74Å; W68-L72 PolarHBondContact O-N 2.99Å; S69-L72 PolarHBondContact O-N 3.23Å; L72-L75 PolarHBondContact O-N 2.99Å; L72-I76 PolarHBondContact O-N 3.35Å; L72-I76 VanDerWaalsContact O-N 3.07Å; L72-V218 HydrophobicContact CD2-CB 4.19Å; L72-V218 HydrophobicContact CD2-CG1 3.87Å
73V91.9Very high89Confident14 Ų1449.5 Ų49.59%0.08526%0.262CS..Hα-helixtrans-69.6-41.7177.9173.40000111.5I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.94Å; S69-V73 WeakPolarHBondContact O-CB 3.49Å; S69-V73 VanDerWaalsContact O-CG2 3.22Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.36Å; M71-V73 PolarHBondContact O-N 3.33Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.31Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.26Å; V73-I77 WeakPolarHBondContact O-CD1 3.36Å; V73-I77 WeakPolarHBondContact O-CG1 3.42Å; V73-I77 PolarHBondContact O-N 3.1Å
74S91.9Very high89.4Confident64 Ų6448.6 Ų48.645%0.44825%0.252SS..Hα-helixtrans-65.5-38.3175.252.20000112L70 M71 I77 F78L70-S74 WeakPolarHBondContact O-CB 3.3Å; L70-S74 PolarHBondContact O-N 2.92Å; L70-S74 PolarHBondContact O-OG 3.09Å; M71-S74 WeakPolarHBondContact CA-OG 3.42Å; M71-S74 PolarHBondContact O-N 3.28Å; M71-S74 PolarHBondContact O-OG 2.89Å; S74-I77 PolarHBondContact O-N 3.12Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.49Å; S74-F78 PolarHBondContact O-N 3.13Å
75L91.1Very high89.8Confident17 Ų1744.1 Ų44.19%0.08923%0.234CC..Hα-helixtrans-61.8-49.1177.1-175.376.3000112.6M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.44Å; M71-L75 PolarHBondContact O-N 2.91Å; L72-L75 PolarHBondContact O-N 2.99Å; V73-L75 VanDerWaalsContact C-N 3.33Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.08Å; L75-F78 PolarHBondContact O-N 3.46Å; L75-I79 HydrophobicContact CD1-CD1 3.99Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.04Å; L75-I79 PolarHBondContact O-N 2.9Å; L75-L108 HydrophobicContact CD1-CD1 3.55Å; L75-L108 HydrophobicContact CD2-CD1 3.73Å; L75-L108 HydrophobicContact CG-CD1 4.28Å; L75-F214 HydrophobicContact CD1-CE1 4.11Å; L75-F214 HydrophobicContact CD2-CD1 3.9Å; L75-F214 HydrophobicContact CD2-CE1 3.81Å; L75-F214 HydrophobicContact CG-CD1 4.34Å; L75-F214 HydrophobicContact CG-CE1 4.23Å; L75-T215 HydrophobicContact CB-CG2 4.11Å; L75-T215 HydrophobicContact CD2-CG2 3.51Å; L75-T215 HydrophobicContact CG-CG2 3.72Å
76I91.7Very high90.1Very high17 Ų1744.2 Ų44.29%0.08724%0.235CC..Hα-helixtrans-64.1-40.3-178.4-167.2173000111L72 V73 A80 A211 Y212 T215L72-I76 PolarHBondContact O-N 3.35Å; L72-I76 VanDerWaalsContact O-N 3.07Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.31Å; I76-A80 WeakPolarHBondContact O-CB 3.01Å; I76-A80 PolarHBondContact O-N 3.26Å; I76-A211 HydrophobicContact CG1-CB 4.49Å; I76-Y212 HydrophobicContact CD1-CD2 4.2Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.52Å; I76-T215 HydrophobicContact CG1-CG2 4.08Å
77I91.8Very high90.2Very high34 Ų3439.5 Ų39.517%0.17422%0.22CC..Hα-helixtrans-67.1-42.1178.2-64.9165.5000110.6I31 I50 V73 S74 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.35Å; I50-I77 HydrophobicContact CD1-CD1 4.11Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.26Å; V73-I77 WeakPolarHBondContact O-CD1 3.36Å; V73-I77 WeakPolarHBondContact O-CG1 3.42Å; V73-I77 PolarHBondContact O-N 3.1Å; S74-I77 PolarHBondContact O-N 3.12Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.08Å; I77-T81 HydrophobicContact CG2-CG2 4.32Å; I77-T81 WeakPolarHBondContact O-CB 3.37Å; I77-T81 VanDerWaalsContact O-CG2 3.24Å; I77-T81 WeakPolarHBondContact O-CG2 3.22Å; I77-T81 PolarHBondContact O-N 3.21Å; I77-T81 PolarHBondContact O-OG1 2.95Å
78F91.3Very high90.2Very high48 Ų4839 Ų3921%0.21121%0.213CC..Hα-helixtrans-63.2-48.8178.5179.2-103000112.2I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.31Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.49Å; S74-F78 PolarHBondContact O-N 3.13Å; L75-F78 PolarHBondContact O-N 3.46Å; F78-T81 PolarHBondContact O-OG1 2.95Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; F78-T82 HydrophobicContact CD2-CG2 4.29Å; F78-T82 HydrophobicContact CE1-CG2 4.22Å; F78-T82 HydrophobicContact CE2-CG2 3.9Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.27Å; F78-T82 WeakPolarHBondContact O-CG2 3.5Å; F78-T82 PolarHBondContact O-N 2.95Å; F78-T82 PolarHBondContact O-OG1 3.06Å; F78-M100 HydrophobicContact CE1-CE 3.82Å; F78-M100 HydrophobicContact CZ-CE 3.84Å; F78-M104 HydrophobicContact CD1-SD 3.94Å; F78-M104 HydrophobicContact CE1-CE 4.48Å; F78-M104 HydrophobicContact CE1-SD 3.62Å
79I91.2Very high90Very high0 Ų042.2 Ų42.20%024%0.239CC..Hα-helixtrans-68-41.9-179.6-59.6169000110.6L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 3.99Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.04Å; L75-I79 PolarHBondContact O-N 2.9Å; I79-T81 PolarHBondContact O-N 3.43Å; I79-T82 WeakPolarHBondContact CA-OG1 3.26Å; I79-T82 PolarHBondContact O-OG1 3.28Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.37Å; I79-N83 WeakPolarHBondContact O-CB 3.35Å; I79-N83 PolarHBondContact O-N 3.41Å; I79-N83 PolarHBondContact O-ND2 3.43Å; I79-L160 HydrophobicContact CG2-CD1 4.09Å; I79-L160 HydrophobicContact CG2-CD2 4.14Å; I79-A211 HydrophobicContact CB-CB 4.01Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; I79-F214 HydrophobicContact CD1-CB 4.24Å; I79-F214 HydrophobicContact CD1-CD1 3.34Å; I79-F214 HydrophobicContact CD1-CD2 4.37Å; I79-F214 HydrophobicContact CD1-CE1 3.69Å; I79-F214 HydrophobicContact CD1-CG 3.74Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å
80A90.7Very high89.7Confident30 Ų3050.4 Ų50.425%0.24827%0.274CS..Hα-helixtrans-63.5-43.7178.900000112.1I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.01Å; I76-A80 PolarHBondContact O-N 3.26Å; A80-L84 VanDerWaalsContact O-CB 3.26Å; A80-L84 WeakPolarHBondContact O-CB 3.44Å; A80-L84 PolarHBondContact O-N 3.49Å; A80-A211 HydrophobicContact CB-CB 3.94Å
81T91.2Very high89.4Confident34 Ų3445.1 Ų45.121%0.20925%0.249CC..Hα-helixtrans-69.1-45.4179.851.60000112P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.28Å; I77-T81 HydrophobicContact CG2-CG2 4.32Å; I77-T81 WeakPolarHBondContact O-CB 3.37Å; I77-T81 VanDerWaalsContact O-CG2 3.24Å; I77-T81 WeakPolarHBondContact O-CG2 3.22Å; I77-T81 PolarHBondContact O-N 3.21Å; I77-T81 PolarHBondContact O-OG1 2.95Å; F78-T81 PolarHBondContact O-OG1 2.95Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; I79-T81 PolarHBondContact O-N 3.43Å; T81-N83 PolarHBondContact O-N 3.34Å; T81-L84 PolarHBondContact O-N 3.17Å; T81-L85 VanDerWaalsContact O-CB 3.29Å; T81-L85 WeakPolarHBondContact O-CB 3.48Å; T81-L85 WeakPolarHBondContact O-CD1 3.38Å; T81-L85 WeakPolarHBondContact O-CG 3.13Å; T81-L85 PolarHBondContact O-N 3.39Å
82T90.9Very high88.9Confident5 Ų543.5 Ų43.53%0.03124%0.241CC..Hα-helixtrans-60.7-43177480000112.6P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.16Å; P27-T82 HydrophobicContact CG-CG2 3.37Å; F78-T82 HydrophobicContact CD2-CG2 4.29Å; F78-T82 HydrophobicContact CE1-CG2 4.22Å; F78-T82 HydrophobicContact CE2-CG2 3.9Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.27Å; F78-T82 WeakPolarHBondContact O-CG2 3.5Å; F78-T82 PolarHBondContact O-N 2.95Å; F78-T82 PolarHBondContact O-OG1 3.06Å; I79-T82 WeakPolarHBondContact CA-OG1 3.26Å; I79-T82 PolarHBondContact O-OG1 3.28Å; T82-G86 PolarHBondContact O-N 2.96Å
83N90.9Very high88.6Confident2 Ų243.7 Ų43.71%0.01124%0.241CC..Hα-helixtrans-67.6-41.4178.3-67.1-11.7000111.9I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.37Å; I79-N83 WeakPolarHBondContact O-CB 3.35Å; I79-N83 PolarHBondContact O-N 3.41Å; I79-N83 PolarHBondContact O-ND2 3.43Å; T81-N83 PolarHBondContact O-N 3.34Å; N83-G86 WeakPolarHBondContact O-CA 3.1Å; N83-G86 PolarHBondContact O-N 3.48Å; N83-G86 VanDerWaalsContact O-N 3.08Å; N83-L87 PolarHBondContact O-N 2.77Å; N83-T95 WeakPolarHBondContact OD1-CB 3.31Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.48Å; N83-T95 PolarHBondContact OD1-OG1 3.32Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.49Å; N83-I164 HydrophobicContact CB-CD1 4.32Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.35Å; N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 3.32Å
84L89.9Confident88.1Confident100 Ų10043.4 Ų43.452%0.52424%0.24SC..Hα-helixtrans-71.5-39.7-178.1-167.6136.1000112.4A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.26Å; A80-L84 WeakPolarHBondContact O-CB 3.44Å; A80-L84 PolarHBondContact O-N 3.49Å; T81-L84 PolarHBondContact O-N 3.17Å; L84-G86 PolarHBondContact O-N 3.09Å; L84-L87 PolarHBondContact O-N 3.32Å
85L90Very high87.8Confident34 Ų3440.4 Ų40.418%0.17822%0.219CC..Hα-helixtrans-58.1-30.3167.2-86.3147.1000112.2F26 P27 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.32Å; F26-L85 HydrophobicContact CD1-CD2 3.75Å; F26-L85 HydrophobicContact CE1-CD2 3.62Å; P27-L85 HydrophobicContact CB-CD1 3.85Å; P27-L85 HydrophobicContact CG-CD1 4.01Å; L30-L85 HydrophobicContact CD1-CD1 3.49Å; L30-L85 VanDerWaalsContact CD1-CD1 3.49Å; L30-L85 HydrophobicContact CD1-CD2 3.95Å; L30-L85 HydrophobicContact CD1-CG 4.02Å; T81-L85 VanDerWaalsContact O-CB 3.29Å; T81-L85 WeakPolarHBondContact O-CB 3.48Å; T81-L85 WeakPolarHBondContact O-CD1 3.38Å; T81-L85 WeakPolarHBondContact O-CG 3.13Å; T81-L85 PolarHBondContact O-N 3.39Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3.33Å; L85-L88 HydrophobicContact CD2-CD1 4.18Å; L85-L88 WeakPolarHBondContact O-CB 3.21Å; L85-L88 WeakPolarHBondContact O-CG 3.47Å; L85-L88 PolarHBondContact O-N 3.02Å; L85-S91 PolarHBondContact O-OG 3.06Å
86G85.9Confident87.5Confident1 Ų140 Ų401%0.0122%0.217CC..Hα-helixtrans-64.2-32.3178.600000116.4T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 2.96Å; N83-G86 WeakPolarHBondContact O-CA 3.1Å; N83-G86 PolarHBondContact O-N 3.48Å; N83-G86 VanDerWaalsContact O-N 3.08Å; L84-G86 PolarHBondContact O-N 3.09Å; G86-L88 PolarHBondContact O-N 3.46Å; G86-S91 PolarHBondContact O-OG 3.15Å; G86-H168 PolarHBondContact O-CE1 2.86Å; G86-H168 PolarHBondContact O-NE2 3.29Å
87L86.7Confident87.4Confident40 Ų4042.4 Ų42.421%0.20923%0.228CC..THydrogen-bonded Turntrans-78-4.2-178.8-60.2175.2000113N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 2.77Å; L84-L87 PolarHBondContact O-N 3.32Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3.33Å; L87-M171 HydrophobicContact CD2-CE 3.99Å; L87-E203 HydrophobicContact CD1-CG 4.39Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.38Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; L87-A207 HydrophobicContact CD1-CB 4.09Å
88L87.5Confident87.2Confident94 Ų9444 Ų4449%0.49224%0.237SC..SBendtrans-67.1145.9174.8-65.3173.7000110.6L85 G86 H90 S91L85-L88 HydrophobicContact CD2-CD1 4.18Å; L85-L88 WeakPolarHBondContact O-CB 3.21Å; L85-L88 WeakPolarHBondContact O-CG 3.47Å; L85-L88 PolarHBondContact O-N 3.02Å; G86-L88 PolarHBondContact O-N 3.46Å; L88-H90 PolarHBondContact O-N 3.11Å; L88-S91 PolarHBondContact O-N 3.29Å; L88-S91 PolarHBondContact O-OG 2.85Å
89P82.5Confident87Confident113 Ų11345.8 Ų45.873%0.73426%0.255SS*.THydrogen-bonded Turntrans-60.1132.8178.825-33.5000110.5S91P89-S91 PolarHBondContact O-N 3.28Å; P89-S91 VanDerWaalsContact O-N 3.17Å
90H82.8Confident86.8Confident204 Ų20447.7 Ų47.794%0.94427%0.265SS*.THydrogen-bonded Turntrans5917.3-179.8-55.9-65.4000116L88L88-H90 PolarHBondContact O-N 3.11Å
91S84.3Confident86.7Confident35 Ų3546.3 Ų46.325%0.24525%0.253CS..  trans-81.5142.6170.569.40000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.06Å; G86-S91 PolarHBondContact O-OG 3.15Å; L88-S91 PolarHBondContact O-N 3.29Å; L88-S91 PolarHBondContact O-OG 2.85Å; P89-S91 PolarHBondContact O-N 3.28Å; P89-S91 VanDerWaalsContact O-N 3.17Å
92F82.5Confident86.4Confident28 Ų2846.5 Ų46.512%0.12325%0.253CS..  trans-89.2123.9170.9170.9-94.1000109.1S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.1Å; A11-F92 HydrophobicContact CB-CZ 4.46Å; P12-F92 HydrophobicContact CG-CB 4.38Å; P12-F92 HydrophobicContact CG-CD1 4.12Å; P12-F92 HydrophobicContact CG-CG 4.09Å; A20-F92 HydrophobicContact CB-CE1 4.37Å; I23-F92 HydrophobicContact CD1-CB 4.03Å; I23-F92 HydrophobicContact CD1-CD1 3.82Å; I23-F92 HydrophobicContact CD1-CG 4.31Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å; I23-F92 WeakPolarHBondContact CG2-O 3.3Å; F92-P94 HydrophobicContact CE1-CB 4.49Å; F92-P94 WeakPolarHBondContact O-CD 3.44Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å
93T83.6Confident86.3Confident3 Ų349.4 Ų49.42%0.01828%0.277CS..  trans-92.9113.3177.929.90000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.39Å; T93-T96 PolarHBondContact O-N 2.89Å; T93-T96 PolarHBondContact O-OG1 3.1Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.47Å; T93-I164 HydrophobicContact CG2-CG2 4.36Å
94P82.6Confident86.1Confident9 Ų950.5 Ų50.56%0.05828%0.282CS..G310 helixtrans-64.1-23.3175.926.1-33.3000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.29Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; F92-P94 HydrophobicContact CE1-CB 4.49Å; F92-P94 WeakPolarHBondContact O-CD 3.44Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.25Å; P94-Q97 PolarHBondContact O-N 3.44Å; P94-M100 WeakPolarHBondContact O-CB 3.16Å
95T85Confident86Confident1 Ų145.8 Ų45.81%0.00626%0.258CS..G310 helixtrans-76.1-8179.551.30000114.4N83 T93 Q97 N101 I164N83-T95 WeakPolarHBondContact OD1-CB 3.31Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.48Å; N83-T95 PolarHBondContact OD1-OG1 3.32Å; T93-T95 PolarHBondContact O-N 3.39Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 3.4Å; T95-I164 VanDerWaalsContact OG1-CD1 3.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.43Å
96T85.5Confident85.9Confident9 Ų948 Ų486%0.05527%0.269CS..G310 helixtrans-74.8-26.9169.756.10000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.87Å; F9-T96 HydrophobicContact CE1-CG2 3.76Å; T93-T96 PolarHBondContact O-N 2.89Å; T93-T96 PolarHBondContact O-OG1 3.1Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.47Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.25Å; T96-L98 PolarHBondContact O-N 3.27Å; T96-T161 WeakPolarHBondContact O-CG2 3.41Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.63Å; T96-T165 HydrophobicContact CG2-CG2 3.78Å
97Q88.6Confident86Confident67 Ų6751.8 Ų51.831%0.31329%0.293SS..SBendtrans-78.2120.5178.4-66.3-63.1-29.100109.9F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.5Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å; P94-Q97 PolarHBondContact O-N 3.44Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.48Å; Q97-M100 PolarHBondContact O-N 3.4Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.49Å
98L86.8Confident86.1Confident67 Ų6750.8 Ų50.835%0.35129%0.288SS..Hα-helixtrans-57.8-33.3178.8-176.863.7000112.2T96 M100 N101 L102 A157 V158 T161T96-L98 PolarHBondContact O-N 3.27Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.25Å; L98-N101 PolarHBondContact O-N 2.95Å; L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 3.46Å; L98-A157 HydrophobicContact CD1-CB 4.33Å; L98-V158 HydrophobicContact CD1-CG2 3.9Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.02Å; L98-T161 HydrophobicContact CD1-CG2 3.97Å
99S87.6Confident86Confident85 Ų8548.2 Ų48.259%0.59427%0.272SS*.Hα-helixtrans-56.4-43.7176.656.30000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.48Å; S99-A103 WeakPolarHBondContact O-CB 3.24Å; S99-A103 PolarHBondContact O-N 3.24Å
100M87.4Confident86.2Confident41 Ų4144.1 Ų44.120%0.20225%0.247CC..Hα-helixtrans-67.4-46.9-179-176.159.1-170.600111.2I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.42Å; I24-M100 HydrophobicContact CG2-CE 4.44Å; F78-M100 HydrophobicContact CE1-CE 3.82Å; F78-M100 HydrophobicContact CZ-CE 3.84Å; P94-M100 WeakPolarHBondContact O-CB 3.16Å; Q97-M100 PolarHBondContact O-N 3.4Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.25Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 2.94Å; M100-A103 PolarHBondContact O-N 3.14Å; M100-M104 HydrophobicContact CE-CE 4.09Å; M100-M104 HydrophobicContact CE-CG 4.26Å; M100-M104 HydrophobicContact CE-SD 3.95Å; M100-M104 HydrophobicContact CG-CE 3.91Å; M100-M104 PolarHBondContact O-N 3.43Å
101N88Confident86.3Confident0 Ų035.5 Ų35.50%021%0.214CC..Hα-helixtrans-67.3-37.6-178.8-66.3-8.8000111.9T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.4Å; Q97-N101 PolarHBondContact O-N 3.49Å; L98-N101 PolarHBondContact O-N 2.95Å; N101-M104 PolarHBondContact O-N 3.06Å; N101-M104 WeakPolarHBondContact OD1-CE 3.38Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.3Å; N101-A105 PolarHBondContact O-N 2.94Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 2.82Å; N101-L160 HydrophobicContact CB-CD2 4.34Å; N101-L160 VanDerWaalsContact CG-CD2 3.45Å; N101-L160 WeakPolarHBondContact ND2-CB 3.44Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.42Å; N101-L160 VanDerWaalsContact ND2-CG 3.31Å; N101-L160 WeakPolarHBondContact ND2-CG 3.5Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.5Å; N101-T161 HydrophobicContact CB-CG2 4.28Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.29Å; N101-T161 PolarHBondContact ND2-N 3.47Å
102L86.3Confident86.3Confident39 Ų3933.9 Ų33.920%0.20420%0.202CC..Hα-helixtrans-70.3-38.5177.1-158.571.9000111.5L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 3.46Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 2.94Å; L102-M104 PolarHBondContact O-N 3.43Å; L102-A105 PolarHBondContact O-N 2.91Å; L102-I106 HydrophobicContact CD1-CD1 4.01Å; L102-I106 HydrophobicContact CD1-CG1 4.13Å; L102-I106 HydrophobicContact CD2-CD1 3.92Å; L102-I106 HydrophobicContact CG-CD1 3.54Å; L102-I106 HydrophobicContact CG-CG1 3.99Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 3.37Å; L102-M154 HydrophobicContact CD1-CE 4.41Å; L102-M154 HydrophobicContact CD1-SD 3.71Å; L102-M154 HydrophobicContact CD2-SD 4.42Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 3.91Å
103A88.9Confident86.3Confident65 Ų6533.2 Ų33.254%0.53720%0.201SC..Hα-helixtrans-63.2-28.7173.200000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.24Å; S99-A103 PolarHBondContact O-N 3.24Å; M100-A103 PolarHBondContact O-N 3.14Å; A103-P107 WeakPolarHBondContact O-CD 3.37Å; A103-P107 WeakPolarHBondContact O-CG 3.41Å
104M85.9Confident86.4Confident25 Ų2538.2 Ų38.212%0.12323%0.226CC..Hα-helixtrans-79.7-45.9170.9-70.2-175.7-74.800112.3F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.94Å; F78-M104 HydrophobicContact CE1-CE 4.48Å; F78-M104 HydrophobicContact CE1-SD 3.62Å; M100-M104 HydrophobicContact CE-CE 4.09Å; M100-M104 HydrophobicContact CE-CG 4.26Å; M100-M104 HydrophobicContact CE-SD 3.95Å; M100-M104 HydrophobicContact CG-CE 3.91Å; M100-M104 PolarHBondContact O-N 3.43Å; N101-M104 PolarHBondContact O-N 3.06Å; N101-M104 WeakPolarHBondContact OD1-CE 3.38Å; L102-M104 PolarHBondContact O-N 3.43Å; M104-L108 VanDerWaalsContact O-CD1 3.23Å; M104-L108 WeakPolarHBondContact O-CD1 3.4Å; M104-L108 VanDerWaalsContact O-CG 3.27Å; M104-L108 WeakPolarHBondContact O-CG 3.49Å
105A86.9Confident86.4Confident2 Ų239.8 Ų39.82%0.01723%0.233CC..Hα-helixtrans-70.5-44.9-171.700000113.5N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.3Å; N101-A105 PolarHBondContact O-N 2.94Å; L102-A105 PolarHBondContact O-N 2.91Å; A105-L108 PolarHBondContact O-N 3.18Å; A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.32Å; A105-W109 PolarHBondContact O-N 2.84Å; A105-L156 HydrophobicContact CB-CD2 4.32Å; A105-A157 HydrophobicContact CB-CB 4.21Å; A105-F214 HydrophobicContact CB-CE2 4.34Å; A105-F214 HydrophobicContact CB-CZ 4.15Å
106I88.2Confident86Confident81 Ų8139.8 Ų39.842%0.41523%0.233SC..Hα-helixtrans-62.5-50.2-175.1-66.8176.2000111.7L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 4.01Å; L102-I106 HydrophobicContact CD1-CG1 4.13Å; L102-I106 HydrophobicContact CD2-CD1 3.92Å; L102-I106 HydrophobicContact CG-CD1 3.54Å; L102-I106 HydrophobicContact CG-CG1 3.99Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 3.37Å; I106-L108 PolarHBondContact O-N 2.98Å; I106-W109 PolarHBondContact O-N 3.29Å; I106-A110 WeakPolarHBondContact O-CB 3.28Å; I106-A110 PolarHBondContact O-N 2.95Å
107P89.2Confident85.6Confident79 Ų7943.1 Ų43.151%0.51325%0.248SC..Hα-helixtrans-65-37.9-178.8-24.136.7000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.37Å; A103-P107 WeakPolarHBondContact O-CG 3.41Å; P107-G111 PolarHBondContact O-N 2.69Å
108L88Confident85Confident20 Ų2050.3 Ų50.311%0.10527%0.272CS..Hα-helixtrans-64.8-46.7178.1-72169.5000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.34Å; M71-L108 HydrophobicContact CG-CD2 4.2Å; M71-L108 HydrophobicContact SD-CD2 3.44Å; M71-L108 WeakPolarHBondContact SD-CD2 3.48Å; L75-L108 HydrophobicContact CD1-CD1 3.55Å; L75-L108 HydrophobicContact CD2-CD1 3.73Å; L75-L108 HydrophobicContact CG-CD1 4.28Å; M104-L108 VanDerWaalsContact O-CD1 3.23Å; M104-L108 WeakPolarHBondContact O-CD1 3.4Å; M104-L108 VanDerWaalsContact O-CG 3.27Å; M104-L108 WeakPolarHBondContact O-CG 3.49Å; A105-L108 PolarHBondContact O-N 3.18Å; I106-L108 PolarHBondContact O-N 2.98Å; L108-G111 PolarHBondContact O-N 3.49Å; L108-A112 PolarHBondContact O-N 3.13Å; L108-A112 VanDerWaalsContact O-N 3.11Å; L108-F214 HydrophobicContact CD1-CE1 4.1Å; L108-V218 HydrophobicContact CB-CG1 4.31Å
109W86.4Confident84.2Confident39 Ų3949.3 Ų49.315%0.14827%0.27CS..Hα-helixtrans-64.3-47.7176172.390000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.32Å; A105-W109 PolarHBondContact O-N 2.84Å; I106-W109 PolarHBondContact O-N 3.29Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.06Å; W109-A112 PolarHBondContact O-N 2.89Å; W109-A112 VanDerWaalsContact O-N 3.13Å; W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CG-CG2 4.5Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.88Å; W109-V113 WeakPolarHBondContact O-CG2 3.44Å; W109-V113 PolarHBondContact O-N 3.22Å; W109-L149 HydrophobicContact CH2-CD2 4.14Å; W109-L149 HydrophobicContact CZ2-CD2 3.47Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.47Å; W109-L149 HydrophobicContact CZ2-CG 3.87Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.34Å; W109-L149 PolarHBondContact NE1-O 3.5Å; W109-L150 HydrophobicContact CH2-CD2 3.74Å; W109-L150 HydrophobicContact CZ2-CD2 4.25Å; W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.32Å; W109-P153 HydrophobicContact CG-CB 3.82Å; W109-P153 HydrophobicContact CG-CG 3.79Å
110A85.7Confident83.4Confident27 Ų2749.8 Ų49.822%0.22326%0.262CS..Hα-helixtrans-60.5-41.1179.500000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.28Å; I106-A110 PolarHBondContact O-N 2.95Å; A110-V113 PolarHBondContact O-N 3.34Å; A110-I114 HydrophobicContact CB-CD1 4.49Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.37Å; A110-I114 WeakPolarHBondContact O-CD1 3.4Å; A110-I114 WeakPolarHBondContact O-CG1 3.31Å; A110-I114 PolarHBondContact O-N 3.46Å
111G85.8Confident82.3Confident23 Ų2353.1 Ų53.124%0.23728%0.279CS..Hα-helixtrans-60-44.7174.700000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.69Å; L108-G111 PolarHBondContact O-N 3.49Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.06Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.35Å; G111-M115 PolarHBondContact O-N 3.07Å
112A83.6Confident81.2Confident1 Ų162.1 Ų62.11%0.00832%0.318CS..Hα-helixtrans-63.7-45.4177.100000111.9L108 W109 M115 G116L108-A112 PolarHBondContact O-N 3.13Å; L108-A112 VanDerWaalsContact O-N 3.11Å; W109-A112 PolarHBondContact O-N 2.89Å; W109-A112 VanDerWaalsContact O-N 3.13Å; A112-M115 PolarHBondContact O-N 3.26Å; A112-G116 PolarHBondContact O-N 3.41Å
113V83.3Confident80.3Confident15 Ų1565.2 Ų65.29%0.09134%0.335CS..Hα-helixtrans-65-46.6178.9172.60000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CG-CG2 4.5Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.88Å; W109-V113 WeakPolarHBondContact O-CG2 3.44Å; W109-V113 PolarHBondContact O-N 3.22Å; A110-V113 PolarHBondContact O-N 3.34Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.34Å; V113-G116 PolarHBondContact O-N 3.47Å; V113-G116 VanDerWaalsContact O-N 3.13Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.42Å; V113-F117 PolarHBondContact O-N 3.33Å
114I84.5Confident79.2Confident108 Ų10862.9 Ų62.955%0.55432%0.316SS*.Hα-helixtrans-60.7-40.1176.8-69.2162.6000110.6A110 G116 F117 R118A110-I114 HydrophobicContact CB-CD1 4.49Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.37Å; A110-I114 WeakPolarHBondContact O-CD1 3.4Å; A110-I114 WeakPolarHBondContact O-CG1 3.31Å; A110-I114 PolarHBondContact O-N 3.46Å; I114-G116 VanDerWaalsContact C-N 3.34Å; I114-F117 PolarHBondContact O-N 3.34Å; I114-R118 WeakPolarHBondContact O-CB 2.97Å; I114-R118 PolarHBondContact O-N 2.91Å
115M81.9Confident78.1Confident41 Ų4166.1 Ų66.120%0.20233%0.333CS..Hα-helixtrans-65.4-37.7176.1-173.3169.6179.700112.2W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 3.8Å; W68-M115 PolarHBondContact NE1-SD 3.38Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.35Å; G111-M115 PolarHBondContact O-N 3.07Å; A112-M115 PolarHBondContact O-N 3.26Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.34Å; M115-R118 PolarHBondContact O-N 3.13Å; M115-S119 VanDerWaalsContact O-CB 3.3Å; M115-S119 WeakPolarHBondContact O-CB 3.05Å; M115-S119 PolarHBondContact O-N 3.21Å; M115-S119 PolarHBondContact O-OG 3.25Å; M115-S119 VanDerWaalsContact O-OG 3.12Å; M115-L222 HydrophobicContact SD-CD1 4.19Å; M115-T226 HydrophobicContact CE-CG2 4.34Å
116G76.8Confident76.9Confident1 Ų168.7 Ų68.71%0.0135%0.354CS..Hα-helixtrans-61.2-52.3173.500000112.6A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.41Å; V113-G116 PolarHBondContact O-N 3.47Å; V113-G116 VanDerWaalsContact O-N 3.13Å; I114-G116 VanDerWaalsContact C-N 3.34Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 2.71Å; G116-S119 PolarHBondContact O-N 3.18Å; G116-S119 PolarHBondContact O-OG 3.01Å; G116-K120 PolarHBondContact O-N 3.1Å; G116-N225 VanDerWaalsContact CA-O 3.27Å; G116-N225 WeakPolarHBondContact CA-O 3.4Å
117F78Confident75.9Confident80 Ų8070.3 Ų70.335%0.35136%0.36SS..Hα-helixtrans-58.9-40.9175.3-76.7-64000111.9V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.42Å; V113-F117 PolarHBondContact O-N 3.33Å; I114-F117 PolarHBondContact O-N 3.34Å; F117-I121 WeakPolarHBondContact O-CG1 3.49Å; F117-A124 HydrophobicContact CD1-CB 4.3Å; F117-A124 HydrophobicContact CE1-CB 4.41Å; F117-L125 HydrophobicContact CD1-CD1 4.12Å; F117-L125 HydrophobicContact CE1-CD1 3.76Å; F117-F128 HydrophobicContact CZ-CE2 4.44Å
118R76.8Confident74.6Confident217 Ų21768.3 Ų68.382%0.81934%0.343SS*.Hα-helixtrans-72.1-31.1-178.9-154.1179.277.5-175.44113.4I114 M115 G116I114-R118 WeakPolarHBondContact O-CB 2.97Å; I114-R118 PolarHBondContact O-N 2.91Å; M115-R118 PolarHBondContact O-N 3.13Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 2.71Å
119S68.9Low73.5Confident46 Ų4670.2 Ų70.232%0.32235%0.353SS..Hα-helixtrans-91-39.1-173.975.60000113.7M115 G116 N225M115-S119 VanDerWaalsContact O-CB 3.3Å; M115-S119 WeakPolarHBondContact O-CB 3.05Å; M115-S119 PolarHBondContact O-N 3.21Å; M115-S119 PolarHBondContact O-OG 3.25Å; M115-S119 VanDerWaalsContact O-OG 3.12Å; G116-S119 PolarHBondContact O-N 3.18Å; G116-S119 PolarHBondContact O-OG 3.01Å; S119-N225 PolarHBondContact OG-O 2.77Å
120K70.2Confident72.3Confident96 Ų9671.7 Ų71.742%0.41737%0.368SS..  trans-146.972.1-177.4-67.8176.9-179.3159.20111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.1Å; K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.45Å; K120-N123 HydrophobicContact CB-CB 3.95Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.09Å; K120-N123 VanDerWaalsContact O-N 3.12Å; K120-A124 WeakPolarHBondContact O-CB 3.28Å; K120-A124 PolarHBondContact O-N 3.29Å; K120-T226 WeakPolarHBondContact CE-O 3.36Å; K120-T226 PolarHBondContact NZ-O 2.91Å; K120-T226 PolarHBondContact NZ-OXT 2.94Å
121I65.7Low71.3Confident110 Ų11080 Ų8056%0.56440%0.402SS*.Hα-helixtrans-47.4-49.3177.5-60170.4000111.8F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.49Å; I121-N123 PolarHBondContact O-N 2.82Å; I121-L125 HydrophobicContact CG2-CD1 3.9Å; I121-L125 WeakPolarHBondContact O-CD1 3.22Å; I121-L125 PolarHBondContact O-N 3.49Å
122K64.3Low70.2Confident189 Ų18982.9 Ų82.982%0.82243%0.431SS*.Hα-helixtrans-66.3-37.7-176-65.2-175.9179.8-177.30113.3K120 A126K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.45Å; K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.21Å; K122-A126 PolarHBondContact O-N 3.49Å
123N67.8Low69.6Low104 Ų10484.4 Ų84.456%0.55644%0.441SS*.Hα-helixtrans-79.1-35.8-177.8-147.159.4000111.4K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.95Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.09Å; K120-N123 VanDerWaalsContact O-N 3.12Å; I121-N123 PolarHBondContact O-N 2.82Å; N123-A126 PolarHBondContact O-N 3.39Å; N123-H127 PolarHBondContact O-N 3.41Å; N123-H127 VanDerWaalsContact O-N 3.1Å
124A64.8Low69.2Low17 Ų1787.2 Ų87.214%0.1446%0.459CS..Hα-helixtrans-63.2-43.1172.700000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.3Å; F117-A124 HydrophobicContact CE1-CB 4.41Å; K120-A124 WeakPolarHBondContact O-CB 3.28Å; K120-A124 PolarHBondContact O-N 3.29Å; A124-H127 PolarHBondContact O-N 3.22Å
125L64.1Low68.9Low93 Ų9387.9 Ų87.949%0.48747%0.469SS..Hα-helixtrans-70.1-32.6174.8-88.579.5000112.7F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.12Å; F117-L125 HydrophobicContact CE1-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CD1 3.9Å; I121-L125 WeakPolarHBondContact O-CD1 3.22Å; I121-L125 PolarHBondContact O-N 3.49Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.41Å; L125-F128 WeakPolarHBondContact O-CB 3.39Å; L125-F128 PolarHBondContact O-N 2.96Å
126A62.1Low68.9Low55 Ų5590.9 Ų90.946%0.45549%0.491SS..Hα-helixtrans-67.5-28.2176.700000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.21Å; K122-A126 PolarHBondContact O-N 3.49Å; N123-A126 PolarHBondContact O-N 3.39Å; A126-F128 PolarHBondContact O-N 3.38Å; A126-L129 PolarHBondContact O-N 2.89Å; A126-L129 VanDerWaalsContact O-N 3.07Å
127H65.3Low69.1Low116 Ų11695.9 Ų95.954%0.53752%0.517SS..THydrogen-bonded Turntrans-65.8-20.1175.8-159.7-61.4000112.8N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.41Å; N123-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 3.22Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.41Å; H127-L129 PolarHBondContact O-N 2.87Å
128F63.5Low69.2Low37 Ų3794.5 Ų94.516%0.16251%0.513CS..THydrogen-bonded Turntrans-68.6-16.1173.1-68.2-56.5000113.4F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.44Å; L125-F128 WeakPolarHBondContact O-CB 3.39Å; L125-F128 PolarHBondContact O-N 2.96Å; A126-F128 PolarHBondContact O-N 3.38Å; F128-L141 WeakPolarHBondContact O-CD2 3.5Å; F128-E145 HydrophobicContact CD1-CB 4.21Å; F128-E145 HydrophobicContact CD1-CG 3.8Å; F128-T146 HydrophobicContact CD1-CG2 4.34Å; F128-T146 HydrophobicContact CE1-CG2 4.1Å; F128-L149 HydrophobicContact CE1-CD1 4.5Å
129L63.9Low69.4Low60 Ų6088.1 Ų88.131%0.31450%0.499SS..SBendtrans-123.8113.6179-110.478.6000111.4A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 2.89Å; A126-L129 VanDerWaalsContact O-N 3.07Å; H127-L129 PolarHBondContact O-N 2.87Å; L129-Q131 PolarHBondContact O-N 3.02Å; L129-I138 HydrophobicContact CD1-CG2 4.05Å; L129-I138 HydrophobicContact CD2-CD1 4.11Å; L129-I138 HydrophobicContact CD2-CG1 4.11Å; L129-I138 HydrophobicContact CD2-CG2 3.94Å; L129-I138 HydrophobicContact CG-CG2 4.45Å; L129-V142 HydrophobicContact CD1-CG2 3.28Å
130P61.7Low70.1Confident70 Ų7091.5 Ų91.546%0.45551%0.512SS..  trans-62.2139.3167.417.4-18.5000109.8G132 T133 L141P130-G132 PolarHBondContact O-N 2.98Å; P130-T133 HydrophobicContact CB-CG2 4.39Å; P130-T133 HydrophobicContact CG-CG2 3.65Å; P130-T133 WeakPolarHBondContact O-CG2 3.33Å; P130-L141 HydrophobicContact CG-CD1 3.82Å; P130-L141 HydrophobicContact CG-CD2 4.05Å
131Q63.6Low70.8Confident202 Ų20289.1 Ų89.194%0.94450%0.503SS*.THydrogen-bonded Turntrans-64.3128.2-179.2-63.2-166.21.300110.2L129L129-Q131 PolarHBondContact O-N 3.02Å
132G63.3Low71.5Confident82 Ų8286.1 Ų86.185%0.84549%0.49SS*.THydrogen-bonded Turntrans98.112.9176.500000116.1P130P130-G132 PolarHBondContact O-N 2.98Å
133T72.2Confident72.6Confident34 Ų3481.5 Ų81.521%0.20947%0.473CS..  trans-70.8134.4175.653.50000112.2P130 L141P130-T133 HydrophobicContact CB-CG2 4.39Å; P130-T133 HydrophobicContact CG-CG2 3.65Å; P130-T133 WeakPolarHBondContact O-CG2 3.33Å; T133-L141 HydrophobicContact CG2-CD1 3.87Å
134P74.8Confident73.4Confident74 Ų7481 Ų8148%0.48147%0.469SS..  trans-65.6141.9176.429.3-35.3000110.9P136 L137P134-P136 VanDerWaalsContact O-CD 3.31Å; P134-P136 WeakPolarHBondContact O-CD 3.47Å; P134-P136 VanDerWaalsContact O-N 3.13Å; P134-L137 HydrophobicContact CG-CB 4.41Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.23Å; P134-L137 PolarHBondContact O-N 3.42Å; P134-L137 VanDerWaalsContact O-N 3.1Å
135T76.8Confident74.4Confident122 Ų12283 Ų8375%0.74848%0.476SS*.THydrogen-bonded Turntrans-52.4-31.5-171.152.20000117.2
136P82.8Confident75.2Confident104 Ų10481 Ų8168%0.67547%0.468SS*.THydrogen-bonded Turntrans-79.1-22179.515.6-7.3000114.2P134 P139P134-P136 VanDerWaalsContact O-CD 3.31Å; P134-P136 WeakPolarHBondContact O-CD 3.47Å; P134-P136 VanDerWaalsContact O-N 3.13Å; P136-P139 WeakPolarHBondContact O-CD 3.31Å
137L81.3Confident76.3Confident106 Ų10682.4 Ų82.456%0.55547%0.467SS*.THydrogen-bonded Turntrans-87.9-11.2-177.6-66.1177.6000113.3P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.41Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.23Å; P134-L137 PolarHBondContact O-N 3.42Å; P134-L137 VanDerWaalsContact O-N 3.1Å; L137-M140 PolarHBondContact O-N 2.96Å; L137-L141 PolarHBondContact O-N 3.07Å; L137-L141 VanDerWaalsContact O-N 3.12Å
138I80.1Confident77.2Confident51 Ų5179.2 Ų79.226%0.26246%0.458SS..Hα-helixtrans-53.5-50-177.2-68.5177.2000112.5L129 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.05Å; L129-I138 HydrophobicContact CD2-CD1 4.11Å; L129-I138 HydrophobicContact CD2-CG1 4.11Å; L129-I138 HydrophobicContact CD2-CG2 3.94Å; L129-I138 HydrophobicContact CG-CG2 4.45Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.47Å; I138-L141 PolarHBondContact O-N 3.47Å; I138-V142 WeakPolarHBondContact O-CG2 3.42Å; I138-V142 PolarHBondContact O-N 2.87Å; I138-V142 VanDerWaalsContact O-N 3.15Å
139P80.1Confident78.1Confident83 Ų8379.6 Ų79.654%0.53946%0.461SS..Hα-helixtrans-64.8-37.1-175.3-2133.8000112.9P136 I143P136-P139 WeakPolarHBondContact O-CD 3.31Å; P139-I143 WeakPolarHBondContact O-CG1 3.42Å; P139-I143 PolarHBondContact O-N 3.28Å
140M83.6Confident79Confident117 Ų11782 Ų8258%0.57647%0.474SS*.Hα-helixtrans-69.8-40.4179.3-173.662.3-173.800111.6L137 I138 I143 I144L137-M140 PolarHBondContact O-N 2.96Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.47Å; M140-I143 PolarHBondContact O-N 2.9Å; M140-I144 HydrophobicContact CE-CD1 4.03Å; M140-I144 HydrophobicContact CE-CG1 4.21Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.36Å; M140-I144 PolarHBondContact O-N 3Å; M140-I144 VanDerWaalsContact O-N 3.11Å
141L84.8Confident80.1Confident46 Ų4683.3 Ų83.324%0.24148%0.476CS..Hα-helixtrans-66.7-41-178.9-166.7150.1000111.9F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.5Å; P130-L141 HydrophobicContact CG-CD1 3.82Å; P130-L141 HydrophobicContact CG-CD2 4.05Å; T133-L141 HydrophobicContact CG2-CD1 3.87Å; L137-L141 PolarHBondContact O-N 3.07Å; L137-L141 VanDerWaalsContact O-N 3.12Å; I138-L141 PolarHBondContact O-N 3.47Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.09Å; L141-I144 PolarHBondContact O-N 2.85Å; L141-E145 PolarHBondContact O-N 3.29Å
142V82.1Confident81.1Confident47 Ų4777 Ų7729%0.28545%0.446SS..Hα-helixtrans-58.6-43.9175.5175.60000110.9L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.28Å; I138-V142 WeakPolarHBondContact O-CG2 3.42Å; I138-V142 PolarHBondContact O-N 2.87Å; I138-V142 VanDerWaalsContact O-N 3.15Å; V142-I144 PolarHBondContact O-N 3.36Å; V142-E145 PolarHBondContact O-N 3.46Å; V142-T146 HydrophobicContact CG1-CG2 4.31Å; V142-T146 VanDerWaalsContact O-CG2 3.28Å; V142-T146 WeakPolarHBondContact O-CG2 3.29Å; V142-T146 PolarHBondContact O-N 3.33Å; V142-T146 PolarHBondContact O-OG1 3.5Å
143I85.3Confident81.8Confident91 Ų9173.5 Ų73.547%0.46741%0.409SS..Hα-helixtrans-60.6-47.8177.9-66.7166.9000110.3P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.42Å; P139-I143 PolarHBondContact O-N 3.28Å; M140-I143 PolarHBondContact O-N 2.9Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.09Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.45Å; I143-T146 PolarHBondContact O-N 3.46Å; I143-T146 PolarHBondContact O-OG1 2.96Å; I143-I147 HydrophobicContact CG2-CD1 3.75Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.18Å; I143-I147 PolarHBondContact O-N 3.29Å
144I86.2Confident82.4Confident94 Ų9476.3 Ų76.348%0.48242%0.42SS..Hα-helixtrans-61.3-43.9179.4-64.9164.2000111.1M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 4.03Å; M140-I144 HydrophobicContact CE-CG1 4.21Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.36Å; M140-I144 PolarHBondContact O-N 3Å; M140-I144 VanDerWaalsContact O-N 3.11Å; L141-I144 PolarHBondContact O-N 2.85Å; V142-I144 PolarHBondContact O-N 3.36Å; I144-I147 PolarHBondContact O-N 3.21Å; I144-S148 WeakPolarHBondContact O-CB 3.36Å; I144-S148 PolarHBondContact O-N 3.03Å
145E84.3Confident82.9Confident59 Ų5974.7 Ų74.728%0.27641%0.413SS..Hα-helixtrans-67.3-39.8-178.8-166.561.5-159.500111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.21Å; F128-E145 HydrophobicContact CD1-CG 3.8Å; L141-E145 PolarHBondContact O-N 3.29Å; V142-E145 PolarHBondContact O-N 3.46Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.45Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 3.36Å; E145-S148 WeakPolarHBondContact O-CB 3.28Å; E145-S148 PolarHBondContact O-N 3.07Å; E145-L149 WeakPolarHBondContact O-CB 3.25Å; E145-L149 PolarHBondContact O-N 2.98Å
146T81.9Confident83.1Confident52 Ų5269.2 Ų69.232%0.31938%0.379SS..Hα-helixtrans-62.4-38.4173.8590000112.4F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.34Å; F128-T146 HydrophobicContact CE1-CG2 4.1Å; V142-T146 HydrophobicContact CG1-CG2 4.31Å; V142-T146 VanDerWaalsContact O-CG2 3.28Å; V142-T146 WeakPolarHBondContact O-CG2 3.29Å; V142-T146 PolarHBondContact O-N 3.33Å; V142-T146 PolarHBondContact O-OG1 3.5Å; I143-T146 PolarHBondContact O-N 3.46Å; I143-T146 PolarHBondContact O-OG1 2.96Å; T146-L150 WeakPolarHBondContact O-CG 3.47Å; T146-L150 PolarHBondContact O-N 3.43Å
147I85.6Confident83.1Confident83 Ų8364.2 Ų64.243%0.42635%0.347SS..Hα-helixtrans-68.1-43.6175.4-67.5166.6000110.5I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.75Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.18Å; I143-I147 PolarHBondContact O-N 3.29Å; I144-I147 PolarHBondContact O-N 3.21Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 3.36Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.86Å; I147-L150 PolarHBondContact O-N 3.21Å; I147-L150 VanDerWaalsContact O-N 3.17Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.38Å; I147-I151 PolarHBondContact O-N 3.47Å
148S83.8Confident83.4Confident50 Ų5062.1 Ų62.135%0.3534%0.339SS..Hα-helixtrans-57.1-46.7177.7-176.40000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.36Å; I144-S148 PolarHBondContact O-N 3.03Å; E145-S148 WeakPolarHBondContact O-CB 3.28Å; E145-S148 PolarHBondContact O-N 3.07Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.33Å; S148-I151 PolarHBondContact O-N 3.26Å; S148-Q152 PolarHBondContact O-N 2.83Å; S148-Q152 VanDerWaalsContact O-N 3.13Å
149L82.4Confident83.7Confident44 Ų4464.4 Ų64.423%0.2334%0.344CS..Hα-helixtrans-60.3-36178-172.8118.5000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.14Å; W109-L149 HydrophobicContact CZ2-CD2 3.47Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.47Å; W109-L149 HydrophobicContact CZ2-CG 3.87Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.34Å; W109-L149 PolarHBondContact NE1-O 3.5Å; F128-L149 HydrophobicContact CE1-CD1 4.5Å; E145-L149 WeakPolarHBondContact O-CB 3.25Å; E145-L149 PolarHBondContact O-N 2.98Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.86Å; L149-P153 WeakPolarHBondContact O-CD 3.17Å
150L82.9Confident83.8Confident111 Ų11160.4 Ų60.458%0.58132%0.318SS*.Hα-helixtrans-78.6-35.2177.2-70.6174.9000113.7W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.74Å; W109-L150 HydrophobicContact CZ2-CD2 4.25Å; T146-L150 WeakPolarHBondContact O-CG 3.47Å; T146-L150 PolarHBondContact O-N 3.43Å; I147-L150 PolarHBondContact O-N 3.21Å; I147-L150 VanDerWaalsContact O-N 3.17Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.33Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-P153 WeakPolarHBondContact O-CD 3.07Å; L150-P153 WeakPolarHBondContact O-CG 3.19Å
151I85.3Confident83.9Confident97 Ų9755.5 Ų55.550%0.49730%0.295SS..Hα-helixtrans-71.8-31.8-179.4-69.6173.3000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.38Å; I147-I151 PolarHBondContact O-N 3.47Å; S148-I151 PolarHBondContact O-N 3.26Å; I151-M154 WeakPolarHBondContact O-CB 3.3Å; I151-M154 PolarHBondContact O-N 3.04Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.42Å; I151-A155 PolarHBondContact O-N 3.09Å
152Q82.9Confident83.9Confident70 Ų7055.2 Ų55.233%0.32730%0.299SS..Hα-helixtrans-51.9-52.6-176.8-110.6174.6-16.600116.1S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 2.83Å; S148-Q152 VanDerWaalsContact O-N 3.13Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 3.27Å; Q152-A155 PolarHBondContact O-N 3.24Å; Q152-L156 WeakPolarHBondContact O-CB 3.33Å; Q152-L156 PolarHBondContact O-N 3.44Å; Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.22Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.34Å; Q152-Y221 PolarHBondContact NE2-OH 3.48Å; Q152-Y221 PolarHBondContact OE1-OH 3.26Å
153P79.5Confident84.1Confident9 Ų956 Ų566%0.05830%0.301CS..Hα-helixtrans-64.9-34.1177.924.5-34.9000112.2W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.32Å; W109-P153 HydrophobicContact CG-CB 3.82Å; W109-P153 HydrophobicContact CG-CG 3.79Å; L149-P153 WeakPolarHBondContact O-CD 3.17Å; L150-P153 WeakPolarHBondContact O-CD 3.07Å; L150-P153 WeakPolarHBondContact O-CG 3.19Å; P153-A157 PolarHBondContact O-N 3.28Å; P153-A157 VanDerWaalsContact O-N 3.16Å
154M84.2Confident84.1Confident92 Ų9251.9 Ų51.945%0.45328%0.28SS..Hα-helixtrans-65.2-46.8174.6-163.292.8-171.700110.8L102 I151 Q152 L156 A157 V158L102-M154 HydrophobicContact CD1-CE 4.41Å; L102-M154 HydrophobicContact CD1-SD 3.71Å; L102-M154 HydrophobicContact CD2-SD 4.42Å; I151-M154 WeakPolarHBondContact O-CB 3.3Å; I151-M154 PolarHBondContact O-N 3.04Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 3.27Å; M154-L156 VanDerWaalsContact C-N 3.3Å; M154-L156 PolarHBondContact O-N 3.35Å; M154-A157 PolarHBondContact O-N 2.93Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 3.24Å
155A85.3Confident84.2Confident40 Ų4049.2 Ų49.233%0.33127%0.269SS..Hα-helixtrans-62.6-37.3179.400000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.42Å; I151-A155 PolarHBondContact O-N 3.09Å; Q152-A155 PolarHBondContact O-N 3.24Å; A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.38Å; A155-R159 PolarHBondContact O-N 3.07Å
156L80.6Confident84.4Confident7 Ų749 Ų494%0.03728%0.277CS..Hα-helixtrans-61.3-48.8174.4-166.887.6000111.7A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.32Å; Q152-L156 WeakPolarHBondContact O-CB 3.33Å; Q152-L156 PolarHBondContact O-N 3.44Å; M154-L156 VanDerWaalsContact C-N 3.3Å; M154-L156 PolarHBondContact O-N 3.35Å; L156-R159 PolarHBondContact O-N 3.04Å; L156-L160 PolarHBondContact O-N 3.28Å; L156-F214 HydrophobicContact CD1-CD2 4.16Å; L156-F214 HydrophobicContact CD1-CG 4.48Å; L156-F214 HydrophobicContact CD2-CD1 4.18Å; L156-F214 HydrophobicContact CD2-CD2 3.33Å; L156-F214 HydrophobicContact CD2-CE1 4.01Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.87Å; L156-F214 HydrophobicContact CD2-CZ 3.49Å; L156-F214 VanDerWaalsContact CD2-CZ 3.49Å; L156-F214 HydrophobicContact CG-CD2 3.43Å; L156-F214 VanDerWaalsContact CG-CD2 3.43Å; L156-F214 HydrophobicContact CG-CE2 3.6Å; L156-F214 HydrophobicContact CG-CG 4.15Å; L156-F214 HydrophobicContact CG-CZ 4.43Å; L156-L217 HydrophobicContact CD1-CB 3.87Å; L156-L217 HydrophobicContact CD1-CD1 3.39Å; L156-L217 HydrophobicContact CD1-CG 4.26Å; L156-V218 HydrophobicContact CD2-CG2 4.33Å
157A83.6Confident84.7Confident0 Ų046.8 Ų46.80%026%0.264CS..Hα-helixtrans-64.2-44.9179.800000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.33Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 2.82Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 3.91Å; A105-A157 HydrophobicContact CB-CB 4.21Å; P153-A157 PolarHBondContact O-N 3.28Å; P153-A157 VanDerWaalsContact O-N 3.16Å; M154-A157 PolarHBondContact O-N 2.93Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.17Å; A157-L160 PolarHBondContact O-N 3.08Å; A157-T161 PolarHBondContact O-N 2.94Å; A157-T161 VanDerWaalsContact O-N 3.1Å; A157-T161 PolarHBondContact O-OG1 2.96Å
158V87.1Confident84.8Confident62 Ų6244.3 Ų44.338%0.37625%0.251SS..Hα-helixtrans-64.1-38.1177.8172.80000111.5L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.9Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 3.24Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.37Å; V158-T161 WeakPolarHBondContact CA-OG1 3.18Å; V158-T161 PolarHBondContact O-N 3.35Å; V158-T161 PolarHBondContact O-OG1 3.01Å; V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 3Å
159R86.9Confident85Confident98 Ų9844 Ų4437%0.3725%0.245SC..Hα-helixtrans-61.6-42.6177.4-168.5-172.5-60.7146.53.3111.6A155 L156 A157 N163 Q210 L217A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.38Å; A155-R159 PolarHBondContact O-N 3.07Å; L156-R159 PolarHBondContact O-N 3.04Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.17Å; R159-N163 WeakPolarHBondContact O-CB 3.35Å; R159-N163 VanDerWaalsContact O-CG 3.26Å; R159-N163 PolarHBondContact O-N 3.41Å; R159-N163 PolarHBondContact O-ND2 3.39Å; R159-Q210 VanDerWaalsContact C-NE2 3.25Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; R159-L217 VanDerWaalsContact NH1-CD1 3.31Å
160L81.3Confident85.4Confident0 Ų045.8 Ų45.80%026%0.255CS..Hα-helixtrans-67.8-44.2179.6178.566.3000110.9I79 N83 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.09Å; I79-L160 HydrophobicContact CG2-CD2 4.14Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.49Å; N101-L160 HydrophobicContact CB-CD2 4.34Å; N101-L160 VanDerWaalsContact CG-CD2 3.45Å; N101-L160 WeakPolarHBondContact ND2-CB 3.44Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.42Å; N101-L160 VanDerWaalsContact ND2-CG 3.31Å; N101-L160 WeakPolarHBondContact ND2-CG 3.5Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.5Å; L156-L160 PolarHBondContact O-N 3.28Å; A157-L160 PolarHBondContact O-N 3.08Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.37Å; L160-I164 HydrophobicContact CD1-CD1 3.67Å; L160-I164 HydrophobicContact CG-CD1 4.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.39Å; L160-I164 PolarHBondContact O-N 3.05Å; L160-Q210 VanDerWaalsContact CA-NE2 3.25Å; L160-Q210 HydrophobicContact CB-CG 4.23Å; L160-Q210 HydrophobicContact CD1-CB 4.34Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.4Å; L160-F214 HydrophobicContact CD2-CD2 4.42Å
161T85.4Confident85.7Confident13 Ų1341.9 Ų41.98%0.0823%0.234CC..Hα-helixtrans-64.2-50.7176.948.80000111.7T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.41Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.02Å; L98-T161 HydrophobicContact CD1-CG2 3.97Å; N101-T161 HydrophobicContact CB-CG2 4.28Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.29Å; N101-T161 PolarHBondContact ND2-N 3.47Å; A157-T161 PolarHBondContact O-N 2.94Å; A157-T161 VanDerWaalsContact O-N 3.1Å; A157-T161 PolarHBondContact O-OG1 2.96Å; V158-T161 WeakPolarHBondContact CA-OG1 3.18Å; V158-T161 PolarHBondContact O-N 3.35Å; V158-T161 PolarHBondContact O-OG1 3.01Å; T161-N163 VanDerWaalsContact C-N 3.34Å; T161-N163 PolarHBondContact O-N 3.47Å; T161-I164 PolarHBondContact O-N 2.71Å; T161-T165 WeakPolarHBondContact O-CB 3.24Å; T161-T165 VanDerWaalsContact O-CG2 3.31Å; T161-T165 WeakPolarHBondContact O-CG2 3.26Å; T161-T165 PolarHBondContact O-N 3.34Å; T161-T165 PolarHBondContact O-OG1 3.02Å
162A84.8Confident85.9Confident41 Ų4141.3 Ų41.334%0.33923%0.229SC..Hα-helixtrans-60.9-44.6-170.700000111.4V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 3Å; A162-T165 WeakPolarHBondContact CA-OG1 3.46Å; A162-T165 PolarHBondContact O-OG1 3.49Å; A162-T165 VanDerWaalsContact O-OG1 3.09Å; A162-A166 WeakPolarHBondContact O-CB 3.16Å; A162-A166 PolarHBondContact O-N 2.95Å
163N87.8Confident86.3Confident62 Ų6242.3 Ų42.333%0.33224%0.236SC..Hα-helixtrans-62.4-49.1-179.8-70.3-5.6000111.1R159 T161 A166 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.35Å; R159-N163 VanDerWaalsContact O-CG 3.26Å; R159-N163 PolarHBondContact O-N 3.41Å; R159-N163 PolarHBondContact O-ND2 3.39Å; T161-N163 VanDerWaalsContact C-N 3.34Å; T161-N163 PolarHBondContact O-N 3.47Å; N163-A166 PolarHBondContact O-N 3.07Å; N163-G167 PolarHBondContact O-N 2.72Å; N163-V206 HydrophobicContact CB-CG1 4.12Å
164I85.1Confident86.8Confident5 Ų543.5 Ų43.53%0.02624%0.241CC..Hα-helixtrans-70.1-40.5-177.2-59.2173000111.2N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.32Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.35Å; T93-I164 HydrophobicContact CG2-CG2 4.36Å; T95-I164 VanDerWaalsContact OG1-CD1 3.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.43Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.63Å; L160-I164 HydrophobicContact CD1-CD1 3.67Å; L160-I164 HydrophobicContact CG-CD1 4.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.39Å; L160-I164 PolarHBondContact O-N 3.05Å; T161-I164 PolarHBondContact O-N 2.71Å; I164-H168 WeakPolarHBondContact O-CB 3.5Å; I164-H168 PolarHBondContact O-CD2 3.49Å; I164-H168 PolarHBondContact O-N 3.05Å; I164-H168 VanDerWaalsContact O-N 3.08Å
165T87.9Confident87.1Confident38 Ų3840.2 Ų40.223%0.23323%0.232CC..Hα-helixtrans-66.1-43.8177.154.80000111.7F9 T96 T161 A162 L169F9-T165 HydrophobicContact CD1-CG2 4.42Å; F9-T165 HydrophobicContact CE1-CG2 4.14Å; T96-T165 HydrophobicContact CG2-CG2 3.78Å; T161-T165 WeakPolarHBondContact O-CB 3.24Å; T161-T165 VanDerWaalsContact O-CG2 3.31Å; T161-T165 WeakPolarHBondContact O-CG2 3.26Å; T161-T165 PolarHBondContact O-N 3.34Å; T161-T165 PolarHBondContact O-OG1 3.02Å; A162-T165 WeakPolarHBondContact CA-OG1 3.46Å; A162-T165 PolarHBondContact O-OG1 3.49Å; A162-T165 VanDerWaalsContact O-OG1 3.09Å; T165-L169 WeakPolarHBondContact O-CB 3.26Å; T165-L169 WeakPolarHBondContact O-CG 3.33Å; T165-L169 PolarHBondContact O-N 3.43Å
166A87.5Confident87.3Confident54 Ų5441.1 Ų41.145%0.44624%0.235SC..Hα-helixtrans-68.1-42.3-179.200000110.9A162 N163 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.16Å; A162-A166 PolarHBondContact O-N 2.95Å; N163-A166 PolarHBondContact O-N 3.07Å; A166-L169 PolarHBondContact O-N 3.28Å; A166-L170 VanDerWaalsContact O-CB 3.25Å; A166-L170 WeakPolarHBondContact O-CB 3.26Å; A166-L170 PolarHBondContact O-N 2.97Å
167G88.1Confident87.7Confident6 Ų642.7 Ų42.76%0.06225%0.249CC..Hα-helixtrans-58.1-49175.300000112.4N163 L170 M171 E203N163-G167 PolarHBondContact O-N 2.72Å; G167-L170 PolarHBondContact O-N 3.46Å; G167-M171 WeakPolarHBondContact O-CB 3.5Å; G167-M171 WeakPolarHBondContact O-CG 3.33Å; G167-M171 PolarHBondContact O-N 3.01Å; G167-E203 WeakPolarHBondContact CA-OE2 3.42Å
168H88.1Confident88Confident32 Ų3243.7 Ų43.715%0.14826%0.255CS..Hα-helixtrans-62.1-43.7176.1-92.8-92.8000113.4F9 G86 I164 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.09Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; G86-H168 PolarHBondContact O-CE1 2.86Å; G86-H168 PolarHBondContact O-NE2 3.29Å; I164-H168 WeakPolarHBondContact O-CB 3.5Å; I164-H168 PolarHBondContact O-CD2 3.49Å; I164-H168 PolarHBondContact O-N 3.05Å; I164-H168 VanDerWaalsContact O-N 3.08Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 3.08Å; H168-M171 PolarHBondContact O-N 2.86Å; H168-H172 WeakPolarHBondContact O-CB 3.48Å; H168-H172 PolarHBondContact O-N 3.08Å
169L88.4Confident88.1Confident43 Ų4346.8 Ų46.823%0.22527%0.269CS..Hα-helixtrans-61.7-42.9176-78170000111.3F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.41Å; F6-L169 HydrophobicContact CE1-CD1 4.1Å; F6-L169 HydrophobicContact CE1-CD2 4.04Å; F6-L169 HydrophobicContact CZ-CD2 4.45Å; F9-L169 HydrophobicContact CE2-CD1 4.46Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.91Å; T165-L169 WeakPolarHBondContact O-CB 3.26Å; T165-L169 WeakPolarHBondContact O-CG 3.33Å; T165-L169 PolarHBondContact O-N 3.43Å; A166-L169 PolarHBondContact O-N 3.28Å; L169-H172 PolarHBondContact O-N 2.88Å; L169-L173 WeakPolarHBondContact O-CB 3.24Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.3Å; L169-L173 PolarHBondContact O-N 3.35Å
170L90.3Very high88.2Confident81 Ų8144.4 Ų44.442%0.42427%0.271SS..Hα-helixtrans-68-41.5-178.9-157.6152.1000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.25Å; A166-L170 WeakPolarHBondContact O-CB 3.26Å; A166-L170 PolarHBondContact O-N 2.97Å; G167-L170 PolarHBondContact O-N 3.46Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 3.08Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.9Å; L170-L173 PolarHBondContact O-N 2.9Å; L170-I174 HydrophobicContact CD2-CD1 3.49Å; L170-I174 VanDerWaalsContact CD2-CD1 3.49Å; L170-I174 HydrophobicContact CD2-CG1 4.12Å; L170-I174 WeakPolarHBondContact O-CG1 3.14Å; L170-I174 PolarHBondContact O-N 2.87Å; L170-L199 HydrophobicContact CB-CD2 4.43Å; L170-L199 HydrophobicContact CD2-CD1 3.67Å; L170-L199 HydrophobicContact CD2-CD2 3.19Å; L170-L199 HydrophobicContact CD2-CG 4.04Å; L170-L199 HydrophobicContact CG-CD2 4.39Å
171M90.6Very high88.5Confident29 Ų2947.7 Ų47.714%0.14329%0.286CS..Hα-helixtrans-59.4-43.3171.7-74.9-172-68.900111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.99Å; G167-M171 WeakPolarHBondContact O-CB 3.5Å; G167-M171 WeakPolarHBondContact O-CG 3.33Å; G167-M171 PolarHBondContact O-N 3.01Å; H168-M171 PolarHBondContact O-N 2.86Å; M171-G175 PolarHBondContact O-N 3.38Å; M171-L199 HydrophobicContact CB-CD2 4.3Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.12Å; M171-T200 HydrophobicContact SD-CG2 3.81Å; M171-E203 HydrophobicContact CE-CG 4.15Å
172H89.4Confident88.5Confident85 Ų8550.2 Ų50.239%0.39431%0.305SS..Hα-helixtrans-67.8-41.2178.5-169.7-58.8000112.2L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.46Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.46Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.28Å; H168-H172 WeakPolarHBondContact O-CB 3.48Å; H168-H172 PolarHBondContact O-N 3.08Å; L169-H172 PolarHBondContact O-N 2.88Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.9Å; H172-G175 PolarHBondContact O-N 3.38Å; H172-S176 WeakPolarHBondContact O-CB 3.47Å; H172-S176 PolarHBondContact O-N 3.35Å; H172-S176 PolarHBondContact O-OG 3.17Å
173L90.2Very high88.6Confident91 Ų9153.6 Ų53.648%0.47632%0.321SS..Hα-helixtrans-63.8-48.6178.4-74.3171.5000111.1L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.14Å; L5-L173 HydrophobicContact CD2-CD2 4.26Å; L169-L173 WeakPolarHBondContact O-CB 3.24Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.3Å; L169-L173 PolarHBondContact O-N 3.35Å; L170-L173 PolarHBondContact O-N 2.9Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.98Å; L173-S176 PolarHBondContact O-N 3.34Å; L173-S176 PolarHBondContact O-OG 3.17Å; L173-A177 PolarHBondContact O-N 2.97Å
174I91.4Very high88.3Confident34 Ų3457.9 Ų57.917%0.17434%0.337CS..Hα-helixtrans-64.2-40.7176.5-64.6-174.9000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.49Å; L170-I174 VanDerWaalsContact CD2-CD1 3.49Å; L170-I174 HydrophobicContact CD2-CG1 4.12Å; L170-I174 WeakPolarHBondContact O-CG1 3.14Å; L170-I174 PolarHBondContact O-N 2.87Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.32Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.48Å; I174-A177 PolarHBondContact O-N 3.48Å; I174-A177 VanDerWaalsContact O-N 3.13Å; I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.44Å; I174-T178 PolarHBondContact O-N 3Å; I174-T178 PolarHBondContact O-OG1 3.27Å; I174-I192 HydrophobicContact CG2-CG2 3.8Å; I174-I195 HydrophobicContact CD1-CG2 4.09Å; I174-L196 HydrophobicContact CB-CD1 4.22Å; I174-L196 HydrophobicContact CG2-CB 3.97Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I174-L199 HydrophobicContact CD1-CD2 4.13Å
175G90.2Very high88.4Confident24 Ų2462.5 Ų62.525%0.24736%0.362CS..Hα-helixtrans-61.1-37.517500000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.38Å; H172-G175 PolarHBondContact O-N 3.38Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.98Å; G175-T178 WeakPolarHBondContact CA-OG1 3.48Å; G175-T178 PolarHBondContact O-OG1 3.29Å; G175-L179 WeakPolarHBondContact O-CB 3.47Å; G175-L179 PolarHBondContact O-N 3.47Å
176S89Confident88.4Confident58 Ų5867.4 Ų67.441%0.40639%0.386SS..Hα-helixtrans-70-35.5173.572.60000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.47Å; H172-S176 PolarHBondContact O-N 3.35Å; H172-S176 PolarHBondContact O-OG 3.17Å; L173-S176 PolarHBondContact O-N 3.34Å; L173-S176 PolarHBondContact O-OG 3.17Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.32Å; S176-L179 PolarHBondContact O-N 3.46Å; S176-A180 WeakPolarHBondContact O-CB 3.38Å; S176-A180 PolarHBondContact O-N 2.85Å
177A88.6Confident88.4Confident40 Ų4069.6 Ų69.633%0.33140%0.396SS..Hα-helixtrans-69.3-40.9176.600000111.9L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.97Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.48Å; I174-A177 PolarHBondContact O-N 3.48Å; I174-A177 VanDerWaalsContact O-N 3.13Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.27Å; A177-A180 PolarHBondContact O-N 3.38Å; A177-M181 WeakPolarHBondContact O-CB 3.49Å; A177-M181 WeakPolarHBondContact O-CG 3.3Å; A177-M181 PolarHBondContact O-N 3.32Å
178T90.4Very high88.4Confident21 Ų2171.1 Ų71.113%0.12941%0.405CS..Hα-helixtrans-61.1-42.4174.4560000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.44Å; I174-T178 PolarHBondContact O-N 3Å; I174-T178 PolarHBondContact O-OG1 3.27Å; G175-T178 WeakPolarHBondContact CA-OG1 3.48Å; G175-T178 PolarHBondContact O-OG1 3.29Å; T178-M181 PolarHBondContact O-N 3.29Å; T178-S182 PolarHBondContact O-N 3.39Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å
179L89.4Confident88.5Confident128 Ų12870.6 Ų70.667%0.6740%0.404SS*.Hα-helixtrans-66.8-42.3179.1-161.9132.3000111.6G175 S176 A177 S182G175-L179 WeakPolarHBondContact O-CB 3.47Å; G175-L179 PolarHBondContact O-N 3.47Å; S176-L179 PolarHBondContact O-N 3.46Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.27Å; L179-S182 WeakPolarHBondContact O-CB 3.25Å; L179-S182 PolarHBondContact O-N 2.6Å; L179-S182 PolarHBondContact O-OG 2.96Å
180A88.6Confident88.7Confident48 Ų4874.2 Ų74.240%0.39742%0.424SS..Hα-helixtrans-66.3-37.5175.500000113S176 A177 S182 T183 F184S176-A180 WeakPolarHBondContact O-CB 3.38Å; S176-A180 PolarHBondContact O-N 2.85Å; A177-A180 PolarHBondContact O-N 3.38Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.43Å; A180-T183 PolarHBondContact O-OG1 3.36Å; A180-F184 VanDerWaalsContact O-CD2 3.31Å; A180-F184 WeakPolarHBondContact O-CD2 3.36Å
181M86.9Confident88.8Confident68 Ų6875.4 Ų75.434%0.33543%0.429SS..Hα-helixtrans-74.9-21178.2-67.8-68101.400112.7A177 T178 T183 F184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.49Å; A177-M181 WeakPolarHBondContact O-CG 3.3Å; A177-M181 PolarHBondContact O-N 3.32Å; T178-M181 PolarHBondContact O-N 3.29Å; M181-T183 PolarHBondContact O-N 3.2Å; M181-T183 VanDerWaalsContact O-N 3.17Å; M181-F184 HydrophobicContact CE-CD2 4.17Å; M181-F184 PolarHBondContact O-N 2.97Å; M181-N185 PolarHBondContact O-N 2.94Å; M181-T189 HydrophobicContact CB-CG2 3.66Å; M181-T189 WeakPolarHBondContact O-CG2 3.35Å; M181-I192 HydrophobicContact CB-CD1 4.28Å; M181-I192 HydrophobicContact CG-CD1 3.76Å
182S86.7Confident88.9Confident67 Ų6776.1 Ų76.147%0.46943%0.433SS..Hα-helixtrans-58.9-29.7-177.775.10000112.8T178 L179 A180 T189T178-S182 PolarHBondContact O-N 3.39Å; L179-S182 WeakPolarHBondContact O-CB 3.25Å; L179-S182 PolarHBondContact O-N 2.6Å; L179-S182 PolarHBondContact O-OG 2.96Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.43Å; S182-T189 VanDerWaalsContact CA-CG2 3.42Å; S182-T189 VanDerWaalsContact N-CG2 3.33Å
183T86.1Confident89Confident111 Ų11177.2 Ų77.268%0.68144%0.437SS*.THydrogen-bonded Turntrans-82.6-19179.557.10000113.6A180 M181A180-T183 PolarHBondContact O-OG1 3.36Å; M181-T183 PolarHBondContact O-N 3.2Å; M181-T183 VanDerWaalsContact O-N 3.17Å
184F82Confident89.2Confident152 Ų15276.5 Ų76.567%0.66744%0.437SS*.THydrogen-bonded Turntrans-100.9-53.6-174-69.4-75.6000113.2A180 M181A180-F184 VanDerWaalsContact O-CD2 3.31Å; A180-F184 WeakPolarHBondContact O-CD2 3.36Å; M181-F184 HydrophobicContact CE-CD2 4.17Å; M181-F184 PolarHBondContact O-N 2.97Å
185N87.3Confident89.3Confident102 Ų10278.8 Ų78.855%0.54545%0.448SS..  trans-150.1111.8-171.5-84.1-29.4000112.8M181 S188 T189M181-N185 PolarHBondContact O-N 2.94Å; N185-S188 WeakPolarHBondContact CB-OG 3.5Å; N185-S188 PolarHBondContact O-N 2.95Å; N185-S188 PolarHBondContact O-OG 3.49Å; N185-T189 VanDerWaalsContact O-CG2 3.22Å; N185-T189 WeakPolarHBondContact O-CG2 3.36Å; N185-T189 PolarHBondContact O-N 3.4Å
186L86.5Confident89.5Confident142 Ų14279.2 Ų79.274%0.74345%0.445SS*.Hα-helixtrans-57.9-40178.5-156.785.9000116S188 T189 L190L186-S188 PolarHBondContact O-N 2.87Å; L186-T189 PolarHBondContact O-N 3.41Å; L186-T189 PolarHBondContact O-OG1 3.32Å; L186-L190 PolarHBondContact O-N 2.99Å
187P88.6Confident89.7Confident99 Ų9980.2 Ų80.264%0.64345%0.445SS*.Hα-helixtrans-70-35.2-179.124.8-32.3000112T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.33Å; P187-L190 PolarHBondContact O-N 3.46Å; P187-I191 WeakPolarHBondContact O-CG1 3.27Å; P187-I191 PolarHBondContact O-N 3.28Å
188S86.9Confident90Very high38 Ų3884 Ų8427%0.26646%0.459SS..Hα-helixtrans-68.1-33.9177.470.60000112.4N185 L186 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.5Å; N185-S188 PolarHBondContact O-N 2.95Å; N185-S188 PolarHBondContact O-OG 3.49Å; L186-S188 PolarHBondContact O-N 2.87Å; S188-I191 PolarHBondContact O-N 2.99Å; S188-I192 WeakPolarHBondContact O-CG1 3.26Å; S188-I192 PolarHBondContact O-N 3.45Å; S188-I192 VanDerWaalsContact O-N 3.17Å
189T92Very high90.1Very high21 Ų2184.1 Ų84.113%0.12946%0.459CS..Hα-helixtrans-69.4-37179.462.50000111.6M181 S182 N185 L186 P187 I191 I192 F193M181-T189 HydrophobicContact CB-CG2 3.66Å; M181-T189 WeakPolarHBondContact O-CG2 3.35Å; S182-T189 VanDerWaalsContact CA-CG2 3.42Å; S182-T189 VanDerWaalsContact N-CG2 3.33Å; N185-T189 VanDerWaalsContact O-CG2 3.22Å; N185-T189 WeakPolarHBondContact O-CG2 3.36Å; N185-T189 PolarHBondContact O-N 3.4Å; L186-T189 PolarHBondContact O-N 3.41Å; L186-T189 PolarHBondContact O-OG1 3.32Å; P187-T189 VanDerWaalsContact C-N 3.33Å; T189-I191 VanDerWaalsContact C-N 3.28Å; T189-I191 PolarHBondContact O-N 2.95Å; T189-I192 PolarHBondContact O-N 2.97Å; T189-F193 WeakPolarHBondContact O-CB 3.43Å; T189-F193 PolarHBondContact O-N 3.29Å
190L91.1Very high90.2Very high120 Ų12080.5 Ų80.563%0.62844%0.442SS*.Hα-helixtrans-59.5-42175.6-157.286000111L186 P187 F193 T194L186-L190 PolarHBondContact O-N 2.99Å; P187-L190 PolarHBondContact O-N 3.46Å; L190-F193 PolarHBondContact O-N 3.13Å; L190-T194 WeakPolarHBondContact O-CG2 3.26Å; L190-T194 PolarHBondContact O-N 2.87Å; L190-T194 PolarHBondContact O-OG1 3.47Å
191I92.6Very high90.4Very high106 Ų10683.1 Ų83.154%0.54445%0.448SS..Hα-helixtrans-64.8-45.7178-60.6168000111P187 S188 T189 F193 T194 I195P187-I191 WeakPolarHBondContact O-CG1 3.27Å; P187-I191 PolarHBondContact O-N 3.28Å; S188-I191 PolarHBondContact O-N 2.99Å; T189-I191 VanDerWaalsContact C-N 3.28Å; T189-I191 PolarHBondContact O-N 2.95Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 2.75Å; I191-T194 PolarHBondContact O-N 3.42Å; I191-T194 PolarHBondContact O-OG1 3.4Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3Å; I191-I195 PolarHBondContact O-N 2.88Å; I191-I195 VanDerWaalsContact O-N 3.16Å
192I92.9Very high90.7Very high43 Ų4384.7 Ų84.722%0.22146%0.457CS..Hα-helixtrans-69.5-33.3179.9-56.4167.5000110.4I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.8Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å; M181-I192 HydrophobicContact CB-CD1 4.28Å; M181-I192 HydrophobicContact CG-CD1 3.76Å; S188-I192 WeakPolarHBondContact O-CG1 3.26Å; S188-I192 PolarHBondContact O-N 3.45Å; S188-I192 VanDerWaalsContact O-N 3.17Å; T189-I192 PolarHBondContact O-N 2.97Å; I192-I195 WeakPolarHBondContact O-CB 3.36Å; I192-I195 PolarHBondContact O-N 2.99Å; I192-L196 PolarHBondContact O-N 3.37Å
193F92.5Very high90.9Very high108 Ų10882.1 Ų82.147%0.47444%0.438SS..Hα-helixtrans-67.4-39.1175.8-173.5-106.2000112.6T189 L190 I191 I195 L196 I197T189-F193 WeakPolarHBondContact O-CB 3.43Å; T189-F193 PolarHBondContact O-N 3.29Å; L190-F193 PolarHBondContact O-N 3.13Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 2.75Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.46Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.39Å; F193-L196 PolarHBondContact O-N 3.25Å; F193-I197 HydrophobicContact CD1-CD1 3.87Å; F193-I197 HydrophobicContact CE1-CD1 3.53Å; F193-I197 HydrophobicContact CE1-CG1 4.31Å; F193-I197 HydrophobicContact CZ-CD1 4.14Å; F193-I197 PolarHBondContact O-N 3.04Å; F193-I197 VanDerWaalsContact O-N 3.07Å
194T93.4Very high91.1Very high77 Ų7781 Ų8147%0.47243%0.426SS..Hα-helixtrans-64.8-36.917356.60000111.7L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.26Å; L190-T194 PolarHBondContact O-N 2.87Å; L190-T194 PolarHBondContact O-OG1 3.47Å; I191-T194 PolarHBondContact O-N 3.42Å; I191-T194 PolarHBondContact O-OG1 3.4Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-I197 PolarHBondContact O-N 3.43Å; T194-L198 PolarHBondContact O-N 3.33Å
195I94.4Very high91.6Very high82 Ų8275.9 Ų75.942%0.42141%0.412SS..Hα-helixtrans-61.9-42.3172.5-65.8166.3000111I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.09Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3Å; I191-I195 PolarHBondContact O-N 2.88Å; I191-I195 VanDerWaalsContact O-N 3.16Å; I192-I195 WeakPolarHBondContact O-CB 3.36Å; I192-I195 PolarHBondContact O-N 2.99Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.46Å; I195-I197 VanDerWaalsContact C-N 3.34Å; I195-I197 PolarHBondContact O-N 3.45Å; I195-L198 PolarHBondContact O-N 3.18Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 3.18Å
196L93.3Very high91.8Very high32 Ų3272.9 Ų72.917%0.16840%0.398CS..Hα-helixtrans-60-43.1176.4-177.266.8000111.7I174 I192 F193 T194 L199 T200I174-L196 HydrophobicContact CB-CD1 4.22Å; I174-L196 HydrophobicContact CG2-CB 3.97Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I192-L196 PolarHBondContact O-N 3.37Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.39Å; F193-L196 PolarHBondContact O-N 3.25Å; T194-L196 VanDerWaalsContact C-N 3.35Å; L196-L199 PolarHBondContact O-N 3.46Å; L196-T200 WeakPolarHBondContact O-CG2 3.48Å; L196-T200 PolarHBondContact O-N 2.89Å
197I93Very high91.9Very high79 Ų7966.3 Ų66.341%0.40536%0.364SS..Hα-helixtrans-64.2-42.5176.1-66.2166.4000111.1F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.87Å; F193-I197 HydrophobicContact CE1-CD1 3.53Å; F193-I197 HydrophobicContact CE1-CG1 4.31Å; F193-I197 HydrophobicContact CZ-CD1 4.14Å; F193-I197 PolarHBondContact O-N 3.04Å; F193-I197 VanDerWaalsContact O-N 3.07Å; T194-I197 PolarHBondContact O-N 3.43Å; I195-I197 VanDerWaalsContact C-N 3.34Å; I195-I197 PolarHBondContact O-N 3.45Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.32Å; I197-T200 PolarHBondContact O-N 2.82Å; I197-T200 PolarHBondContact O-OG1 2.96Å; I197-I201 HydrophobicContact CG2-CD1 4.16Å; I197-I201 WeakPolarHBondContact O-CG1 3.4Å; I197-I201 PolarHBondContact O-N 3.43Å
198L94.9Very high92Very high121 Ų12166.9 Ų66.963%0.63436%0.361SS*.Hα-helixtrans-63.3-39.5178.1-174.567.2000111.3T194 I195 I201 L202T194-L198 PolarHBondContact O-N 3.33Å; I195-L198 PolarHBondContact O-N 3.18Å; L198-I201 PolarHBondContact O-N 3.11Å; L198-L202 PolarHBondContact O-N 3.12Å
199L93.4Very high92.2Very high23 Ų2369.8 Ų69.812%0.1237%0.372CS..Hα-helixtrans-64.1-41.9176.7-179.371.7000112.3L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.43Å; L170-L199 HydrophobicContact CD2-CD1 3.67Å; L170-L199 HydrophobicContact CD2-CD2 3.19Å; L170-L199 HydrophobicContact CD2-CG 4.04Å; L170-L199 HydrophobicContact CG-CD2 4.39Å; M171-L199 HydrophobicContact CB-CD2 4.3Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.12Å; I174-L199 HydrophobicContact CD1-CD2 4.13Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 3.18Å; L196-L199 PolarHBondContact O-N 3.46Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.32Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.03Å; L199-L202 HydrophobicContact CD1-CD2 4.45Å; L199-L202 WeakPolarHBondContact O-CB 3.41Å; L199-L202 PolarHBondContact O-N 2.88Å; L199-E203 PolarHBondContact O-N 3.48Å
200T91.4Very high92Very high51 Ų5169.3 Ų69.331%0.31337%0.369SS..Hα-helixtrans-64.8-37.5178.658.30000111.3M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.81Å; L196-T200 WeakPolarHBondContact O-CG2 3.48Å; L196-T200 PolarHBondContact O-N 2.89Å; I197-T200 PolarHBondContact O-N 2.82Å; I197-T200 PolarHBondContact O-OG1 2.96Å; T200-E203 PolarHBondContact O-N 3.13Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.28Å; T200-I204 PolarHBondContact O-N 2.98Å
201I92.9Very high92Very high103 Ų10363.7 Ų63.753%0.52834%0.34SS..Hα-helixtrans-62.4-44.3173.1-65.2166.9000110.7I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.16Å; I197-I201 WeakPolarHBondContact O-CG1 3.4Å; I197-I201 PolarHBondContact O-N 3.43Å; L198-I201 PolarHBondContact O-N 3.11Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.03Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.03Å; I201-I204 PolarHBondContact O-N 3.06Å; I201-A205 PolarHBondContact O-N 3.02Å
202L91.9Very high91.8Very high101 Ų10163.5 Ų63.553%0.52933%0.333SS..Hα-helixtrans-59.6-45.4176.2179.267.1000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.12Å; L199-L202 HydrophobicContact CD1-CD2 4.45Å; L199-L202 WeakPolarHBondContact O-CB 3.41Å; L199-L202 PolarHBondContact O-N 2.88Å; L202-I204 PolarHBondContact O-N 2.92Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 3.5Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.34Å; L202-V206 WeakPolarHBondContact O-CG2 3.42Å; L202-V206 PolarHBondContact O-N 3.48Å
203E91Very high91.7Very high13 Ų1363.5 Ų63.56%0.06133%0.334CS..Hα-helixtrans-67.1-36.5-177-162.364.7-160.600112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.39Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.38Å; G167-E203 WeakPolarHBondContact CA-OE2 3.42Å; M171-E203 HydrophobicContact CE-CG 4.15Å; L199-E203 PolarHBondContact O-N 3.48Å; T200-E203 PolarHBondContact O-N 3.13Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.03Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.94Å; E203-V206 PolarHBondContact O-N 3.22Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.44Å; E203-A207 PolarHBondContact O-N 3.42Å
204I91.1Very high91.5Very high87 Ų8758.3 Ų58.345%0.44631%0.312SS..Hα-helixtrans-59.7-43.1171.6-67.3163.7000110.7L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.28Å; T200-I204 PolarHBondContact O-N 2.98Å; I201-I204 PolarHBondContact O-N 3.06Å; L202-I204 PolarHBondContact O-N 2.92Å; I204-L208 PolarHBondContact O-N 3.37Å
205A91.8Very high91.3Very high45 Ų4554.7 Ų54.737%0.37229%0.289SS..Hα-helixtrans-65.6-45.5177.200000111.6I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.02Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 3.5Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.94Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 2.89Å; A205-L208 PolarHBondContact O-N 2.63Å; A205-I209 WeakPolarHBondContact O-CB 3.42Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.36Å; A205-I209 PolarHBondContact O-N 3.02Å
206V91.7Very high91Very high40 Ų4053.2 Ų53.224%0.24228%0.282CS..Hα-helixtrans-61.2-42.3177.9173.10000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.12Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.34Å; L202-V206 WeakPolarHBondContact O-CG2 3.42Å; L202-V206 PolarHBondContact O-N 3.48Å; E203-V206 PolarHBondContact O-N 3.22Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.35Å; V206-I209 PolarHBondContact O-N 3.45Å; V206-Q210 WeakPolarHBondContact O-CB 3.46Å; V206-Q210 PolarHBondContact O-N 3.2Å
207A89.4Confident90.6Very high4 Ų453.4 Ų53.43%0.03328%0.283CS..Hα-helixtrans-57.7-41.6178.200000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 3.32Å; L87-A207 HydrophobicContact CD1-CB 4.09Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.44Å; E203-A207 PolarHBondContact O-N 3.42Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 2.89Å; A207-A211 PolarHBondContact O-N 2.84Å
208L89.4Confident90.3Very high111 Ų11150 Ų5058%0.58127%0.266SS*.Hα-helixtrans-75.6-44.5179.1-169.4148.3000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.37Å; A205-L208 PolarHBondContact O-N 2.63Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.35Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 2.81Å; L208-A211 PolarHBondContact O-N 3.34Å; L208-Y212 PolarHBondContact O-N 3.18Å; L208-Y212 VanDerWaalsContact O-N 3.17Å
209I90.9Very high89.9Confident98 Ų9844.5 Ų44.550%0.50324%0.238SC..Hα-helixtrans-60.9-40.6177.9-69166.2000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.42Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.36Å; A205-I209 PolarHBondContact O-N 3.02Å; V206-I209 PolarHBondContact O-N 3.45Å; I209-A211 PolarHBondContact O-N 3.03Å; I209-Y212 WeakPolarHBondContact O-CB 3.49Å; I209-Y212 PolarHBondContact O-N 3.32Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.41Å; I209-V213 PolarHBondContact O-N 3.35Å
210Q89.1Confident89.5Confident12 Ų1247 Ų476%0.05625%0.251CS..Hα-helixtrans-66.5-38.2-178-172.864.47.500112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.25Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; L160-Q210 VanDerWaalsContact CA-NE2 3.25Å; L160-Q210 HydrophobicContact CB-CG 4.23Å; L160-Q210 HydrophobicContact CD1-CB 4.34Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.4Å; V206-Q210 WeakPolarHBondContact O-CB 3.46Å; V206-Q210 PolarHBondContact O-N 3.2Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 2.81Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.47Å; Q210-F214 VanDerWaalsContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CB 3.32Å; Q210-F214 PolarHBondContact O-N 2.83Å
211A89.8Confident89Confident1 Ų145.5 Ų45.51%0.00824%0.24CC..Hα-helixtrans-62-41.8172.300000111.6I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.49Å; I79-A211 HydrophobicContact CB-CB 4.01Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; A80-A211 HydrophobicContact CB-CB 3.94Å; A207-A211 PolarHBondContact O-N 2.84Å; L208-A211 PolarHBondContact O-N 3.34Å; I209-A211 PolarHBondContact O-N 3.03Å; A211-T215 WeakPolarHBondContact O-CG2 3.2Å; A211-T215 PolarHBondContact O-N 3.32Å; A211-T215 PolarHBondContact O-OG1 3.42Å; A211-T215 VanDerWaalsContact O-OG1 3.07Å
212Y89.9Confident88.5Confident103 Ų10340.7 Ų40.740%0.40422%0.215SC..Hα-helixtrans-64.6-50.5176.5176.8-101.7000112.4I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.2Å; L208-Y212 PolarHBondContact O-N 3.18Å; L208-Y212 VanDerWaalsContact O-N 3.17Å; I209-Y212 WeakPolarHBondContact O-CB 3.49Å; I209-Y212 PolarHBondContact O-N 3.32Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.47Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.4Å; Y212-T215 PolarHBondContact O-N 3.16Å; Y212-T215 PolarHBondContact O-OG1 3.45Å; Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.41Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.31Å; Y212-L216 PolarHBondContact O-N 3.07Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å
213V90.1Very high88Confident42 Ų4239.5 Ų39.526%0.25521%0.206SC..Hα-helixtrans-61.8-38.8179.6172.30000111.2I209 L217I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.41Å; I209-V213 PolarHBondContact O-N 3.35Å; V213-L217 HydrophobicContact CG1-CD1 3.86Å; V213-L217 WeakPolarHBondContact O-CB 3.47Å; V213-L217 WeakPolarHBondContact O-CG 3.43Å; V213-L217 PolarHBondContact O-N 3.02Å
214F87.7Confident87.4Confident0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-57.7-53.2176.8-173.3-80.6000111.1L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.11Å; L75-F214 HydrophobicContact CD2-CD1 3.9Å; L75-F214 HydrophobicContact CD2-CE1 3.81Å; L75-F214 HydrophobicContact CG-CD1 4.34Å; L75-F214 HydrophobicContact CG-CE1 4.23Å; I79-F214 HydrophobicContact CD1-CB 4.24Å; I79-F214 HydrophobicContact CD1-CD1 3.34Å; I79-F214 HydrophobicContact CD1-CD2 4.37Å; I79-F214 HydrophobicContact CD1-CE1 3.69Å; I79-F214 HydrophobicContact CD1-CG 3.74Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å; A105-F214 HydrophobicContact CB-CE2 4.34Å; A105-F214 HydrophobicContact CB-CZ 4.15Å; L108-F214 HydrophobicContact CD1-CE1 4.1Å; L156-F214 HydrophobicContact CD1-CD2 4.16Å; L156-F214 HydrophobicContact CD1-CG 4.48Å; L156-F214 HydrophobicContact CD2-CD1 4.18Å; L156-F214 HydrophobicContact CD2-CD2 3.33Å; L156-F214 HydrophobicContact CD2-CE1 4.01Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.87Å; L156-F214 HydrophobicContact CD2-CZ 3.49Å; L156-F214 VanDerWaalsContact CD2-CZ 3.49Å; L156-F214 HydrophobicContact CG-CD2 3.43Å; L156-F214 VanDerWaalsContact CG-CD2 3.43Å; L156-F214 HydrophobicContact CG-CE2 3.6Å; L156-F214 HydrophobicContact CG-CG 4.15Å; L156-F214 HydrophobicContact CG-CZ 4.43Å; L160-F214 HydrophobicContact CD2-CD2 4.42Å; Q210-F214 VanDerWaalsContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CB 3.32Å; Q210-F214 PolarHBondContact O-N 2.83Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.4Å; F214-L217 PolarHBondContact O-N 3.43Å; F214-V218 HydrophobicContact CD1-CG2 4.41Å; F214-V218 HydrophobicContact CE1-CG2 4.23Å; F214-V218 WeakPolarHBondContact O-CG2 3.37Å; F214-V218 PolarHBondContact O-N 2.96Å
215T89.3Confident86.6Confident0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-72.6-33.7-176.158.70000112.8M57 L75 I76 A211 Y212 V218 S219M57-T215 VanDerWaalsContact CE-OG1 3.25Å; M57-T215 WeakPolarHBondContact CE-OG1 3.37Å; L75-T215 HydrophobicContact CB-CG2 4.11Å; L75-T215 HydrophobicContact CD2-CG2 3.51Å; L75-T215 HydrophobicContact CG-CG2 3.72Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.52Å; I76-T215 HydrophobicContact CG1-CG2 4.08Å; A211-T215 WeakPolarHBondContact O-CG2 3.2Å; A211-T215 PolarHBondContact O-N 3.32Å; A211-T215 PolarHBondContact O-OG1 3.42Å; A211-T215 VanDerWaalsContact O-OG1 3.07Å; Y212-T215 PolarHBondContact O-N 3.16Å; Y212-T215 PolarHBondContact O-OG1 3.45Å; T215-V218 PolarHBondContact O-N 2.91Å; T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 3.17Å
216L88.3Confident85.6Confident51 Ų5139 Ų3927%0.26720%0.2SC..Hα-helixtrans-62.9-45.4174.5-175.9148.1000111.6Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.41Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.31Å; Y212-L216 PolarHBondContact O-N 3.07Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å; L216-V218 PolarHBondContact O-N 3.24Å; L216-S219 CarbonylContact O-C 3.57Å; L216-S219 WeakPolarHBondContact O-CB 3.41Å; L216-S219 PolarHBondContact O-N 3.18Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.22Å; L216-L220 PolarHBondContact O-N 3.47Å
217L86.5Confident85.3Confident37 Ų3739 Ų3919%0.19420%0.198CC..Hα-helixtrans-62.4-43.4177.6-77.7165.1000111.6L156 R159 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.87Å; L156-L217 HydrophobicContact CD1-CD1 3.39Å; L156-L217 HydrophobicContact CD1-CG 4.26Å; R159-L217 VanDerWaalsContact NH1-CD1 3.31Å; V213-L217 HydrophobicContact CG1-CD1 3.86Å; V213-L217 WeakPolarHBondContact O-CB 3.47Å; V213-L217 WeakPolarHBondContact O-CG 3.43Å; V213-L217 PolarHBondContact O-N 3.02Å; F214-L217 PolarHBondContact O-N 3.43Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.77Å; L217-L220 PolarHBondContact O-N 2.77Å; L217-Y221 HydrophobicContact CB-CE2 4.18Å; L217-Y221 WeakPolarHBondContact O-CD2 3.42Å; L217-Y221 WeakPolarHBondContact O-CE2 3.14Å; L217-Y221 PolarHBondContact O-N 3.35Å
218V86.2Confident85Confident6 Ų640.8 Ų40.84%0.03621%0.207CC..Hα-helixtrans-58.9-41.3173.4178.20000111.3L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.19Å; L72-V218 HydrophobicContact CD2-CG1 3.87Å; L108-V218 HydrophobicContact CB-CG1 4.31Å; L156-V218 HydrophobicContact CD2-CG2 4.33Å; F214-V218 HydrophobicContact CD1-CG2 4.41Å; F214-V218 HydrophobicContact CE1-CG2 4.23Å; F214-V218 WeakPolarHBondContact O-CG2 3.37Å; F214-V218 PolarHBondContact O-N 2.96Å; T215-V218 PolarHBondContact O-N 2.91Å; L216-V218 PolarHBondContact O-N 3.24Å; V218-Y221 PolarHBondContact O-N 2.99Å; V218-L222 PolarHBondContact O-N 3.02Å
219S86.8Confident84.8Confident6 Ų636.9 Ų36.94%0.04219%0.186CC..Hα-helixtrans-66.7-37.2177.384.80000112.5H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.48Å; T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 3.17Å; L216-S219 CarbonylContact O-C 3.57Å; L216-S219 WeakPolarHBondContact O-CB 3.41Å; L216-S219 PolarHBondContact O-N 3.18Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.22Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.77Å; S219-L222 WeakPolarHBondContact O-CB 3.22Å; S219-L222 PolarHBondContact O-N 3.3Å; S219-H223 PolarHBondContact O-N 3.47Å
220L84.8Confident84.4Confident77 Ų7733.3 Ų33.340%0.40317%0.167SC..Hα-helixtrans-66.3-42176.4-170.4148.1000111L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.47Å; L217-L220 PolarHBondContact O-N 2.77Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.17Å; L220-H223 WeakPolarHBondContact O-CB 3.47Å; L220-H223 PolarHBondContact O-N 3.47Å; L220-H223 VanDerWaalsContact O-N 3.09Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.38Å; L220-D224 PolarHBondContact O-N 3.43Å
221Y80.5Confident84.1Confident19 Ų1934.6 Ų34.68%0.07517%0.174CC..Hα-helixtrans-61.2-38.5172.5-61.6-50.7000112.5Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.22Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.34Å; Q152-Y221 PolarHBondContact NE2-OH 3.48Å; Q152-Y221 PolarHBondContact OE1-OH 3.26Å; L217-Y221 HydrophobicContact CB-CE2 4.18Å; L217-Y221 WeakPolarHBondContact O-CD2 3.42Å; L217-Y221 WeakPolarHBondContact O-CE2 3.14Å; L217-Y221 PolarHBondContact O-N 3.35Å; V218-Y221 PolarHBondContact O-N 2.99Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.35Å; Y221-N225 PolarHBondContact O-N 3.4Å; Y221-N225 VanDerWaalsContact O-N 3.1Å; Y221-N225 PolarHBondContact O-ND2 3.39Å
222L82.4Confident83.8Confident1 Ų136.9 Ų36.91%0.00519%0.185CC..Hα-helixtrans-63.7-42.4175.7-171.471.6000110.5W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.45Å; W68-L222 VanDerWaalsContact CB-CD2 3.45Å; W68-L222 HydrophobicContact CD2-CD1 3.65Å; W68-L222 HydrophobicContact CD2-CD2 3.92Å; W68-L222 HydrophobicContact CD2-CG 4.45Å; W68-L222 HydrophobicContact CE3-CD1 3.8Å; W68-L222 HydrophobicContact CE3-CD2 4.16Å; W68-L222 HydrophobicContact CG-CD1 4.02Å; W68-L222 HydrophobicContact CG-CD2 3.55Å; W68-L222 HydrophobicContact CG-CG 4.45Å; W68-L222 HydrophobicContact CZ2-CD1 4.4Å; W68-L222 HydrophobicContact CZ3-CD1 4.31Å; M115-L222 HydrophobicContact SD-CD1 4.19Å; V218-L222 PolarHBondContact O-N 3.02Å; S219-L222 WeakPolarHBondContact O-CB 3.22Å; S219-L222 PolarHBondContact O-N 3.3Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.17Å; L222-N225 PolarHBondContact O-N 2.95Å; L222-T226 HydrophobicContact CD1-CG2 4.18Å; L222-T226 HydrophobicContact CG-CG2 4.21Å; L222-T226 WeakPolarHBondContact O-CB 3.39Å; L222-T226 WeakPolarHBondContact O-CG2 3.5Å; L222-T226 PolarHBondContact O-N 3.41Å; L222-T226 VanDerWaalsContact O-N 3.08Å; L222-T226 PolarHBondContact O-OG1 3.32Å
223H82.3Confident83.3Confident76 Ų7632.1 Ų32.135%0.35217%0.169SC..Hα-helixtrans-58.7-51.4176.2-174.484000111.8M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 2.8Å; M60-H223 PolarHBondContact O-ND1 3.42Å; S219-H223 PolarHBondContact O-N 3.47Å; L220-H223 WeakPolarHBondContact O-CB 3.47Å; L220-H223 PolarHBondContact O-N 3.47Å; L220-H223 VanDerWaalsContact O-N 3.09Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.45Å; H223-T226 PolarHBondContact O-N 3.32Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 2.83Å
224D78.4Confident82.8Confident75 Ų7531.4 Ų31.440%0.40116%0.163SC..Hα-helixtrans-61.2-31.7-179-65.1-15.9000112.5L220L220-D224 WeakPolarHBondContact CD2-OD2 3.38Å; L220-D224 PolarHBondContact O-N 3.43Å
225N74.2Confident82.4Confident33 Ų3334 Ų3418%0.17618%0.176CC..Hα-helixtrans-90.1-4.7-179.8-74.3-66.9000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.27Å; G116-N225 WeakPolarHBondContact CA-O 3.4Å; S119-N225 PolarHBondContact OG-O 2.77Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.35Å; Y221-N225 PolarHBondContact O-N 3.4Å; Y221-N225 VanDerWaalsContact O-N 3.1Å; Y221-N225 PolarHBondContact O-ND2 3.39Å; L222-N225 PolarHBondContact O-N 2.95Å; H223-N225 PolarHBondContact O-N 3.45Å
226T69.3Low81.8Confident27 Ų2737.1 Ų37.117%0.16619%0.192CC..  trans-108.80-178.657.50000114.7M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.34Å; K120-T226 WeakPolarHBondContact CE-O 3.36Å; K120-T226 PolarHBondContact NZ-O 2.91Å; K120-T226 PolarHBondContact NZ-OXT 2.94Å; L222-T226 HydrophobicContact CD1-CG2 4.18Å; L222-T226 HydrophobicContact CG-CG2 4.21Å; L222-T226 WeakPolarHBondContact O-CB 3.39Å; L222-T226 WeakPolarHBondContact O-CG2 3.5Å; L222-T226 PolarHBondContact O-N 3.41Å; L222-T226 VanDerWaalsContact O-N 3.08Å; L222-T226 PolarHBondContact O-OG1 3.32Å; H223-T226 PolarHBondContact O-N 3.32Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 2.83Å

Retrieved 226 of 226 residues in 275.1 ms (Link to these results)