A0A023Q7H2_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023Q7H2, 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
1M45.3Very low71.6Confident215 Ų215100.5 Ų100.5100%1.05954%0.54SS*.  0121.30-72.3156.889.400106.2E3M1-E3 PolarHBondContact O-N 3.36Å
2N47.8Very low72.5Confident160 Ų16095.5 Ų95.586%0.85652%0.517SS*.  trans-67.388.1167.6-98.113.2000106.1N4N2-N4 PolarHBondContact O-N 3.33Å; N2-N4 VanDerWaalsContact O-N 3.09Å
3E57.8Low73.6Confident123 Ų12395.8 Ų95.858%0.57552%0.524SS*.  trans-54.1117.5165.7-73.2-84.314000105.7M1 L5M1-E3 PolarHBondContact O-N 3.36Å; E3-L5 PolarHBondContact O-N 3.39Å
4N74.7Confident74.5Confident124 Ų12497.4 Ų97.466%0.66353%0.53SS*.  trans-72.175.7179.7-73-30.8000108.5N2 F6 A7N2-N4 PolarHBondContact O-N 3.33Å; N2-N4 VanDerWaalsContact O-N 3.09Å; N4-F6 PolarHBondContact O-N 3.14Å; N4-A7 HydrophobicContact CB-CB 3.8Å; N4-A7 VanDerWaalsContact O-CB 3.23Å; N4-A7 WeakPolarHBondContact O-CB 3.4Å; N4-A7 PolarHBondContact O-N 3.36Å
5L74.3Confident75.1Confident45 Ų45102.7 Ų102.724%0.23656%0.556CS.*THydrogen-bonded Turntrans-52.7-28.4176.6-65.1175.6000111.7E3 L169 H172 L173E3-L5 PolarHBondContact O-N 3.39Å; L5-L169 HydrophobicContact CB-CD2 4.34Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.49Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.48Å; L5-L173 HydrophobicContact CD1-CD2 3.85Å; L5-L173 HydrophobicContact CD2-CD2 4.38Å
6F80.8Confident75.6Confident135 Ų135100.6 Ų100.659%0.59257%0.567SS**THydrogen-bonded Turntrans-89.2-5.2-179.9-63.4-76.6000114.7N4 S8 F9 L169N4-F6 PolarHBondContact O-N 3.14Å; F6-S8 PolarHBondContact O-N 3.31Å; F6-F9 AromaticContact CD1-CD2 3.95Å; F6-F9 HydrophobicContact CD1-CD2 3.95Å; F6-F9 HydrophobicContact CD1-CE2 4.32Å; F6-F9 PolarHBondContact O-N 3Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.11Å; F6-L169 HydrophobicContact CE1-CD2 4.09Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å
7A79Confident76.1Confident50 Ų50102.1 Ų102.141%0.41357%0.572SS.*G310 helixtrans-60.3-33-178.600000112.4N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.8Å; N4-A7 VanDerWaalsContact O-CB 3.23Å; N4-A7 WeakPolarHBondContact O-CB 3.4Å; N4-A7 PolarHBondContact O-N 3.36Å; A7-F9 PolarHBondContact O-N 3.39Å; A7-I10 PolarHBondContact O-N 3.3Å
8S79Confident76.6Confident58 Ų58100.5 Ų100.541%0.40657%0.567SS.*G310 helixtrans-66.5-21.3176.756.70000113.8F6 F92F6-S8 PolarHBondContact O-N 3.31Å; S8-F92 WeakPolarHBondContact O-CD2 2.97Å
9F81.7Confident77Confident26 Ų2696.2 Ų96.211%0.11455%0.545CS..G310 helixtrans-92.9-8.8177.9-57.7-68.3000113.1F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.95Å; F6-F9 HydrophobicContact CD1-CD2 3.95Å; F6-F9 HydrophobicContact CD1-CE2 4.32Å; F6-F9 PolarHBondContact O-N 3Å; A7-F9 PolarHBondContact O-N 3.39Å; F9-A11 PolarHBondContact O-N 3.02Å; F9-T96 HydrophobicContact CD1-CG2 3.88Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; F9-Q97 PolarHBondContact O-NE2 2.94Å; F9-T165 HydrophobicContact CD1-CG2 4.41Å; F9-T165 HydrophobicContact CE1-CG2 4.08Å; F9-H168 HydrophobicContact CE1-CB 4.13Å; F9-H168 HydrophobicContact CZ-CB 3.85Å; F9-L169 HydrophobicContact CE2-CD1 4.4Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.32Å; F9-L169 HydrophobicContact CZ-CG 3.93Å
10I83.9Confident77.5Confident119 Ų11992.9 Ų92.961%0.6153%0.527SS*.SBendtrans-70.5128.7178-59.6174.1000108.3A7 P12A7-I10 PolarHBondContact O-N 3.3Å; I10-P12 WeakPolarHBondContact O-CD 3.39Å; I10-P12 VanDerWaalsContact O-N 3.16Å
11A82.9Confident77.9Confident50 Ų5092.3 Ų92.341%0.41353%0.525SS..PPolyproline II helixtrans-58.1118.5179.500000110.4F9 T13 T20F9-A11 PolarHBondContact O-N 3.02Å; A11-T13 PolarHBondContact O-N 3.44Å; A11-T20 HydrophobicContact CB-CG2 3.91Å
12P82.9Confident79.8Confident41 Ų4188.3 Ų88.327%0.26651%0.507SS..PPolyproline II helixtrans-68.4127.5-176.425.4-34.2000110.5I10 A19 T20 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.39Å; I10-P12 VanDerWaalsContact O-N 3.16Å; P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.36Å; P12-A19 WeakPolarHBondContact O-CB 3.32Å; P12-A19 PolarHBondContact O-N 2.75Å; P12-T20 HydrophobicContact CG-CG2 4.23Å; P12-I23 HydrophobicContact CG-CD1 3.59Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.21Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.1Å
13T86.4Confident81.7Confident100 Ų10082.8 Ų82.861%0.61348%0.477SS*.EExtended strand (participates in β ladder)trans-117.7125.2169.753.30000108.5A11 L17A11-T13 PolarHBondContact O-N 3.44Å; T13-L17 CarbonylContact C-O 3.54Å; T13-L17 VanDerWaalsContact CA-O 3.25Å; T13-L17 WeakPolarHBondContact CA-O 3.48Å
14I85.9Confident83.2Confident118 Ų11879.3 Ų79.361%0.60546%0.462SS*.EExtended strand (participates in β ladder)trans-108.2120.6175.7-63.2171.3000106.2G16 L17 A19I14-G16 PolarHBondContact O-N 3.19Å; I14-G16 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact N-O 2.97Å; I14-L17 PolarHBondContact O-N 3.05Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.93Å
15L83.8Confident83.8Confident176 Ų17679 Ų7992%0.92146%0.46SS*.THydrogen-bonded Turntrans56.829.5177.7-118.2118000114.1L17L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 3.13Å
16G82.9Confident84.5Confident70 Ų7081 Ų8172%0.72247%0.467SS*.THydrogen-bonded Turntrans82.2-2.9-176.600000115I14I14-G16 PolarHBondContact O-N 3.19Å; I14-G16 VanDerWaalsContact O-N 3.14Å
17L84.3Confident84.8Confident126 Ų12674.7 Ų74.766%0.6644%0.439SS*.EExtended strand (participates in β ladder)trans-92.7139.6172.5-66.4169.4000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.54Å; T13-L17 VanDerWaalsContact CA-O 3.25Å; T13-L17 WeakPolarHBondContact CA-O 3.48Å; I14-L17 PolarHBondContact N-O 2.97Å; I14-L17 PolarHBondContact O-N 3.05Å; L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 3.13Å; L17-A19 PolarHBondContact O-N 3.25Å
18P84.7Confident85.1Confident73 Ų7375.7 Ų75.747%0.47444%0.441SS..EExtended strand (participates in β ladder)trans-69.8105.1176.728.4-33.2000110.4T20 V21P18-T20 PolarHBondContact O-N 3.42Å; P18-V21 HydrophobicContact CG-CG2 4.36Å
19A85.8Confident85.5Confident18 Ų1879.4 Ų79.415%0.14946%0.456CS..THydrogen-bonded Turntrans-71.2-12.3176.800000112.4P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.36Å; P12-A19 WeakPolarHBondContact O-CB 3.32Å; P12-A19 PolarHBondContact O-N 2.75Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.93Å; L17-A19 PolarHBondContact O-N 3.25Å; A19-V21 PolarHBondContact O-N 2.9Å; A19-L22 PolarHBondContact O-N 3.36Å; A19-L22 VanDerWaalsContact O-N 3.16Å; A19-I23 PolarHBondContact O-N 3.26Å
20T85.6Confident85.8Confident30 Ų3081.7 Ų81.718%0.18447%0.469CS..Hα-helixtrans-55.3-35.2174.2540000112.9A11 P12 P18 L22 I23 I24 F92A11-T20 HydrophobicContact CB-CG2 3.91Å; P12-T20 HydrophobicContact CG-CG2 4.23Å; P18-T20 PolarHBondContact O-N 3.42Å; T20-L22 VanDerWaalsContact C-N 3.33Å; T20-L22 PolarHBondContact O-N 2.95Å; T20-I23 PolarHBondContact O-N 3.43Å; T20-I24 VanDerWaalsContact O-CG1 3.27Å; T20-I24 WeakPolarHBondContact O-CG1 3.46Å; T20-I24 PolarHBondContact O-N 3.29Å; T20-F92 HydrophobicContact CG2-CE1 3.88Å; T20-F92 HydrophobicContact CG2-CZ 4.27Å
21V85.8Confident85.9Confident81 Ų8178.7 Ų78.749%0.49145%0.454SS..Hα-helixtrans-62.9-42.3179.4-179.40000110.9P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.36Å; A19-V21 PolarHBondContact O-N 2.9Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 PolarHBondContact O-N 3.38Å; V21-I24 PolarHBondContact O-N 3.29Å; V21-L25 HydrophobicContact CG1-CD1 4.09Å; V21-L25 WeakPolarHBondContact O-CG 3.06Å; V21-L25 PolarHBondContact O-N 3.46Å
22L86.4Confident86Confident131 Ų13179 Ų7969%0.68645%0.451SS*.Hα-helixtrans-66.6-38.4178.8-169.5139000111.4A19 T20 L25 F26A19-L22 PolarHBondContact O-N 3.36Å; A19-L22 VanDerWaalsContact O-N 3.16Å; T20-L22 VanDerWaalsContact C-N 3.33Å; T20-L22 PolarHBondContact O-N 2.95Å; L22-L25 PolarHBondContact O-N 3.44Å; L22-F26 PolarHBondContact O-N 3.49Å
23I87.9Confident86.2Confident44 Ų4483.5 Ų83.523%0.22648%0.479CS..Hα-helixtrans-66-40.8176.6-61.9161.9000111P12 A19 T20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.59Å; A19-I23 PolarHBondContact O-N 3.26Å; T20-I23 PolarHBondContact O-N 3.43Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 PolarHBondContact O-N 3.38Å; I23-L25 VanDerWaalsContact C-N 3.3Å; I23-L25 PolarHBondContact O-N 3.01Å; I23-F26 WeakPolarHBondContact O-CB 3.45Å; I23-F26 PolarHBondContact O-N 3.29Å; I23-P27 VanDerWaalsContact O-CD 3.3Å; I23-P27 WeakPolarHBondContact O-CD 3.21Å; I23-F92 HydrophobicContact CD1-CB 4.1Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.35Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å
24I88Confident86.2Confident51 Ų5180.6 Ų80.626%0.26246%0.462SS..Hα-helixtrans-66.6-32.2177.2-68.6164.9000111.8T20 V21 F26 P27 F78 P94 M100T20-I24 VanDerWaalsContact O-CG1 3.27Å; T20-I24 WeakPolarHBondContact O-CG1 3.46Å; T20-I24 PolarHBondContact O-N 3.29Å; V21-I24 PolarHBondContact O-N 3.29Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 2.94Å; I24-F78 HydrophobicContact CG2-CZ 4.35Å; I24-P94 HydrophobicContact CD1-CB 4.33Å; I24-P94 HydrophobicContact CG1-CB 3.77Å; I24-P94 HydrophobicContact CG1-CG 4.1Å; I24-M100 HydrophobicContact CD1-SD 4.32Å; I24-M100 HydrophobicContact CG2-CE 4.38Å
25L87.2Confident86.2Confident117 Ų11785 Ų8561%0.61348%0.477SS*.Hα-helixtrans-80.6-11.7178.5-72.6171.2000113.9V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.09Å; V21-L25 WeakPolarHBondContact O-CG 3.06Å; V21-L25 PolarHBondContact O-N 3.46Å; L22-L25 PolarHBondContact O-N 3.44Å; I23-L25 VanDerWaalsContact C-N 3.3Å; I23-L25 PolarHBondContact O-N 3.01Å; L25-P28 WeakPolarHBondContact O-CD 3.43Å
26F88.7Confident86.2Confident88 Ų8885.6 Ų85.639%0.38647%0.468SS..Hα-helixtrans-70.1-44.3-177-170.3-95.2000114.8L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.49Å; I23-F26 WeakPolarHBondContact O-CB 3.45Å; I23-F26 PolarHBondContact O-N 3.29Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.31Å; F26-L29 PolarHBondContact O-N 3.12Å; F26-L30 HydrophobicContact CD1-CD1 4.17Å; F26-L30 HydrophobicContact CD1-CG 4.44Å; F26-L30 HydrophobicContact CE1-CD1 3.94Å; F26-L30 HydrophobicContact CE1-CD2 4.04Å; F26-L30 HydrophobicContact CE1-CG 4.13Å; F26-L30 HydrophobicContact CZ-CD2 4.33Å; F26-L85 HydrophobicContact CD1-CD1 4.29Å; F26-L85 HydrophobicContact CD1-CD2 3.41Å; F26-L85 VanDerWaalsContact CD1-CD2 3.41Å; F26-L85 HydrophobicContact CD1-CG 4.47Å; F26-L85 HydrophobicContact CE1-CD1 4.13Å; F26-L85 HydrophobicContact CE1-CD2 3.74Å; F26-L85 HydrophobicContact CE1-CG 4.49Å; F26-L85 HydrophobicContact CG-CD2 4.48Å
27P88.4Confident86Confident2 Ų290.7 Ų90.71%0.01348%0.478CS..Hα-helixtrans-57.2-42.1-178.8-16.122.9000115.1I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.3Å; I23-P27 WeakPolarHBondContact O-CD 3.21Å; I24-P27 WeakPolarHBondContact O-CD 2.94Å; P27-L29 PolarHBondContact O-N 3.33Å; P27-L30 WeakPolarHBondContact O-CB 3.27Å; P27-L30 PolarHBondContact O-N 3.14Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P27-T81 WeakPolarHBondContact CB-OG1 3.23Å; P27-T82 HydrophobicContact CB-CG2 4.28Å; P27-T82 HydrophobicContact CG-CG2 3.56Å
28P84.6Confident86.1Confident70 Ų7092 Ų9246%0.45548%0.484SS..Hα-helixtrans-56.1-32.8173.7-26.733.1000114.1L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.43Å; P28-L30 PolarHBondContact O-N 3.41Å; P28-I31 PolarHBondContact O-N 3.2Å
29L87.8Confident86.3Confident136 Ų13689.7 Ų89.771%0.71247%0.468SS*.Hα-helixtrans-67.9-24.6179.7-171.964.9000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.31Å; F26-L29 PolarHBondContact O-N 3.12Å; P27-L29 PolarHBondContact O-N 3.33Å; L29-I31 PolarHBondContact O-N 3.39Å
30L87.1Confident86.4Confident75 Ų7594.3 Ų94.339%0.39349%0.49SS..THydrogen-bonded Turntrans-75.2-5.3178.5-62.2170000113.5F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.17Å; F26-L30 HydrophobicContact CD1-CG 4.44Å; F26-L30 HydrophobicContact CE1-CD1 3.94Å; F26-L30 HydrophobicContact CE1-CD2 4.04Å; F26-L30 HydrophobicContact CE1-CG 4.13Å; F26-L30 HydrophobicContact CZ-CD2 4.33Å; P27-L30 WeakPolarHBondContact O-CB 3.27Å; P27-L30 PolarHBondContact O-N 3.14Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P28-L30 PolarHBondContact O-N 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.41Å; L30-Q46 PolarHBondContact O-NE2 3.23Å; L30-L85 HydrophobicContact CD1-CD1 3.28Å
31I87.4Confident86.6Confident55 Ų55103 Ų10328%0.28252%0.519SS..SBendtrans-108.780.5-178.5-51.7165.6000108.3P28 L29 T33 I77P28-I31 PolarHBondContact O-N 3.2Å; L29-I31 PolarHBondContact O-N 3.39Å; I31-T33 PolarHBondContact O-N 3.03Å; I31-I77 HydrophobicContact CD1-CG2 3.38Å; I31-I77 HydrophobicContact CG1-CG2 4.45Å
32P85.6Confident86.8Confident57 Ų57103.3 Ų103.337%0.3752%0.518SS..  trans-67.8136.317927.3-33.8000110.9L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.41Å; P32-L42 HydrophobicContact CG-CD2 3.5Å; P32-I43 HydrophobicContact CB-CD1 4.39Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.39Å; P32-I43 HydrophobicContact CG-CG1 3.96Å
33T86.3Confident87Confident136 Ų13698 Ų9883%0.83449%0.49SS*.  trans-103.5132.9170.460.10000109.8I31I31-T33 PolarHBondContact O-N 3.03Å
34S86.6Confident87.2Confident38 Ų3898.9 Ų98.927%0.26650%0.497SS..  trans-114.3148.9170.854.60000111.5N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.49Å; S34-N39 PolarHBondContact OG-ND2 3.3Å; S34-N39 VanDerWaalsContact OG-ND2 3.09Å; S34-N39 PolarHBondContact OG-OD1 3.41Å; S34-I43 WeakPolarHBondContact OG-CD1 3.32Å
35K84.7Confident87.3Confident212 Ų212100.5 Ų100.592%0.92251%0.51SS*.  trans-87.6-12.7177.2-62.3-179.6-179.1178.30113.2
36Y85.7Confident87.5Confident187 Ų18797 Ų9773%0.73349%0.491SS*.SBendtrans-80.1155.2-175-61.1-72.4000111.8N39Y36-N39 PolarHBondContact O-ND2 2.84Å; Y36-N39 PolarHBondContact O-OD1 2.99Å
37L78.1Confident87.5Confident177 Ų17797.5 Ų97.593%0.92749%0.494SS*.SBendtrans-74-39.1176.8-169.874.3000111.5
38I85.2Confident87.7Confident153 Ų153105.6 Ų105.679%0.78552%0.524SS*.SBendtrans-100.4113.9174.4-58.2170.4000107.3
39N88.6Confident88Confident26 Ų26106.7 Ų106.714%0.13953%0.526CS..  trans-105.8166.7-172.7-70-25.9000112.4S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.49Å; S34-N39 PolarHBondContact OG-ND2 3.3Å; S34-N39 VanDerWaalsContact OG-ND2 3.09Å; S34-N39 PolarHBondContact OG-OD1 3.41Å; Y36-N39 PolarHBondContact O-ND2 2.84Å; Y36-N39 PolarHBondContact O-OD1 2.99Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.78Å; N39-T44 HydrophobicContact CB-CG2 4.04Å; N39-Q47 PolarHBondContact ND2-NE2 3.45Å
40N89.5Confident88.2Confident114 Ų114103.1 Ų103.161%0.6151%0.507SS*.  trans-63.2152.9171.4-166.10.3000110.7L42 I43 T44N40-L42 PolarHBondContact O-N 2.86Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 HydrophobicContact CB-CD1 4.45Å; N40-I43 PolarHBondContact O-N 2.96Å; N40-T44 PolarHBondContact O-N 2.95Å
41R89Confident88.3Confident213 Ų213107 Ų10780%0.80452%0.521SS*.Hα-helixtrans-51.7-37.8-178.7-65-177.3-179.4-177.50.3113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.48Å; R41-T44 PolarHBondContact O-N 2.98Å; R41-T44 PolarHBondContact O-OG1 3.45Å; R41-T45 WeakPolarHBondContact O-CG2 3.24Å; R41-T45 PolarHBondContact O-N 3.34Å; R41-T45 VanDerWaalsContact O-N 3.07Å; R41-T45 PolarHBondContact O-OG1 3.01Å
42L89.4Confident88.5Confident87 Ų87107.6 Ų107.646%0.45552%0.524SS..Hα-helixtrans-66.7-40.5178.1-176.1150.9000111.9P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.5Å; N40-L42 PolarHBondContact O-N 2.86Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-OG1 2.86Å; L42-Q46 VanDerWaalsContact CD2-CD 3.47Å; L42-Q46 HydrophobicContact CD2-CG 4.36Å; L42-Q46 WeakPolarHBondContact O-CB 3.2Å; L42-Q46 VanDerWaalsContact O-CG 3.23Å; L42-Q46 WeakPolarHBondContact O-CG 3.35Å; L42-Q46 PolarHBondContact O-N 3.42Å
43I91.3Very high88.6Confident19 Ų19105.9 Ų105.910%0.09751%0.513CS..Hα-helixtrans-72.6-36179.4-62.1171.3000110P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.39Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.39Å; P32-I43 HydrophobicContact CG-CG1 3.96Å; S34-I43 WeakPolarHBondContact OG-CD1 3.32Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.78Å; N40-I43 HydrophobicContact CB-CD1 4.45Å; N40-I43 PolarHBondContact O-N 2.96Å; I43-Q46 PolarHBondContact O-N 3.13Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.12Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.3Å; I43-Q47 PolarHBondContact O-N 3.37Å
44T91.3Very high88.7Confident63 Ų63100.8 Ų100.839%0.38748%0.483SS..Hα-helixtrans-67.6-40177.160.10000112.2N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.04Å; N40-T44 PolarHBondContact O-N 2.95Å; R41-T44 WeakPolarHBondContact CA-OG1 3.48Å; R41-T44 PolarHBondContact O-N 2.98Å; R41-T44 PolarHBondContact O-OG1 3.45Å; T44-Q47 PolarHBondContact O-N 3.2Å; T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.28Å; T44-W48 PolarHBondContact O-N 2.91Å
45T90.7Very high88.8Confident86 Ų86106.2 Ų106.253%0.52850%0.501SS..Hα-helixtrans-66.9-39.5174.256.90000111.9R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.24Å; R41-T45 PolarHBondContact O-N 3.34Å; R41-T45 VanDerWaalsContact O-N 3.07Å; R41-T45 PolarHBondContact O-OG1 3.01Å; L42-T45 PolarHBondContact O-OG1 2.86Å; T45-W48 PolarHBondContact O-N 3.33Å; T45-L49 WeakPolarHBondContact O-CB 3.39Å; T45-L49 PolarHBondContact O-N 3.47Å
46Q90.9Very high88.9Confident44 Ų44102 Ų10221%0.20649%0.485CS..Hα-helixtrans-61.1-49.9173.6-76175.7-17.700111.9L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.23Å; L42-Q46 VanDerWaalsContact CD2-CD 3.47Å; L42-Q46 HydrophobicContact CD2-CG 4.36Å; L42-Q46 WeakPolarHBondContact O-CB 3.2Å; L42-Q46 VanDerWaalsContact O-CG 3.23Å; L42-Q46 WeakPolarHBondContact O-CG 3.35Å; L42-Q46 PolarHBondContact O-N 3.42Å; I43-Q46 PolarHBondContact O-N 3.13Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.3Å; Q46-L49 PolarHBondContact O-N 3.48Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.4Å; Q46-I50 PolarHBondContact O-N 3.26Å
47Q90.4Very high88.8Confident98 Ų9893.7 Ų93.746%0.45845%0.453SS..Hα-helixtrans-60.8-38.7177.8-74.5175.4-14.100112N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.45Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.12Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.3Å; I43-Q47 PolarHBondContact O-N 3.37Å; T44-Q47 PolarHBondContact O-N 3.2Å; Q47-K51 WeakPolarHBondContact O-CB 3.36Å; Q47-K51 PolarHBondContact O-N 2.98Å
48W92.1Very high89Confident171 Ų17186.2 Ų86.265%0.64841%0.413SS*.Hα-helixtrans-63.5-44.8175.1-179.482.7000112T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.28Å; T44-W48 PolarHBondContact O-N 2.91Å; T45-W48 PolarHBondContact O-N 3.33Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.3Å; W48-K51 PolarHBondContact O-N 3.36Å; W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.79Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.35Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.63Å; W48-L52 WeakPolarHBondContact O-CG 3.34Å; W48-L52 PolarHBondContact O-N 2.84Å
49L90.7Very high88.9Confident94 Ų9483.6 Ų83.649%0.49241%0.405SS..Hα-helixtrans-64.7-42.2177.9-165.4148.5000111.9T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.39Å; T45-L49 PolarHBondContact O-N 3.47Å; Q46-L49 PolarHBondContact O-N 3.48Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.42Å; L49-L52 PolarHBondContact O-N 3.28Å; L49-T53 HydrophobicContact CD2-CG2 4.06Å; L49-T53 WeakPolarHBondContact O-CG2 3.5Å; L49-T53 PolarHBondContact O-N 3.15Å; L49-T53 PolarHBondContact O-OG1 3.1Å
50I90.9Very high88.3Confident61 Ų6188.7 Ų88.731%0.31343%0.429SS..Hα-helixtrans-61.3-42.6174.5-67.7168.1000111.1Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.4Å; Q46-I50 PolarHBondContact O-N 3.26Å; I50-T53 WeakPolarHBondContact CA-OG1 3.5Å; I50-T53 PolarHBondContact O-OG1 2.96Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.22Å; I50-S54 PolarHBondContact O-N 3.36Å; I50-S54 PolarHBondContact O-OG 2.99Å; I50-V73 HydrophobicContact CG2-CG1 3.91Å; I50-I77 HydrophobicContact CD1-CD1 4.08Å; I50-I77 HydrophobicContact CG1-CD1 3.69Å
51K90.8Very high87.9Confident156 Ų15683.7 Ų83.768%0.67840%0.402SS*.Hα-helixtrans-65.5-39.4178.2-172.9177.3-178.6178.50112.2Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.36Å; Q47-K51 PolarHBondContact O-N 2.98Å; W48-K51 PolarHBondContact O-N 3.36Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.42Å; K51-S54 WeakPolarHBondContact CA-OG 3.18Å; K51-S54 PolarHBondContact O-OG 3.29Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.35Å; K51-K55 PolarHBondContact O-N 2.97Å; K51-K55 VanDerWaalsContact O-N 3.07Å
52L90.7Very high87.4Confident67 Ų6779 Ų7935%0.35139%0.393SS..Hα-helixtrans-68.1-49.6178.2-74.8177.7000112.1W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.79Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.35Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.63Å; W48-L52 WeakPolarHBondContact O-CG 3.34Å; W48-L52 PolarHBondContact O-N 2.84Å; L49-L52 PolarHBondContact O-N 3.28Å; L52-K55 PolarHBondContact O-N 3.43Å; L52-Q56 WeakPolarHBondContact O-CG 3.42Å; L52-Q56 PolarHBondContact O-N 3.48Å
53T87.8Confident86.9Confident22 Ų2279.9 Ų79.914%0.13540%0.402CS..Hα-helixtrans-62.1-47.6-179.649.40000111.4L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.06Å; L49-T53 WeakPolarHBondContact O-CG2 3.5Å; L49-T53 PolarHBondContact O-N 3.15Å; L49-T53 PolarHBondContact O-OG1 3.1Å; I50-T53 WeakPolarHBondContact CA-OG1 3.5Å; I50-T53 PolarHBondContact O-OG1 2.96Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-K55 PolarHBondContact O-N 3.04Å; T53-Q56 PolarHBondContact O-N 3.07Å; T53-M57 WeakPolarHBondContact O-CG 3.25Å; T53-M57 PolarHBondContact O-N 3.38Å
54S88.8Confident86.2Confident29 Ų2984.9 Ų84.920%0.20342%0.423CS..Hα-helixtrans-59.7-43.717557.10000112.4I50 K51 Q56 M57 M58I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.22Å; I50-S54 PolarHBondContact O-N 3.36Å; I50-S54 PolarHBondContact O-OG 2.99Å; K51-S54 WeakPolarHBondContact CA-OG 3.18Å; K51-S54 PolarHBondContact O-OG 3.29Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; S54-Q56 PolarHBondContact O-N 3.15Å; S54-M57 PolarHBondContact O-N 3.14Å; S54-M58 VanDerWaalsContact O-CB 3.25Å; S54-M58 WeakPolarHBondContact O-CB 3.01Å; S54-M58 WeakPolarHBondContact O-CG 3.42Å; S54-M58 PolarHBondContact O-N 3.14Å
55K88.6Confident85.6Confident152 Ų15281.9 Ų81.966%0.66141%0.405SS*.Hα-helixtrans-60.6-47177.5-173.1-179.1179.8-174.60111.3K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.35Å; K51-K55 PolarHBondContact O-N 2.97Å; K51-K55 VanDerWaalsContact O-N 3.07Å; L52-K55 PolarHBondContact O-N 3.43Å; T53-K55 PolarHBondContact O-N 3.04Å; K55-T59 WeakPolarHBondContact O-CG2 3.47Å; K55-T59 PolarHBondContact O-N 3.42Å
56Q86.1Confident85.2Confident123 Ų12384.3 Ų84.358%0.57540%0.404SS*.Hα-helixtrans-67.3-38-178.5-74.1179.4-24.100113.3L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.42Å; L52-Q56 PolarHBondContact O-N 3.48Å; T53-Q56 PolarHBondContact O-N 3.07Å; S54-Q56 PolarHBondContact O-N 3.15Å; Q56-T59 PolarHBondContact O-OG1 3.16Å
57M83.6Confident84.9Confident12 Ų1287.1 Ų87.16%0.05943%0.425CS..Hα-helixtrans-74.1-35.6178.1-69.2-17517200112.4T53 S54 H61 L72 I76 T215T53-M57 WeakPolarHBondContact O-CG 3.25Å; T53-M57 PolarHBondContact O-N 3.38Å; S54-M57 PolarHBondContact O-N 3.14Å; M57-H61 PolarHBondContact O-ND1 2.8Å; M57-L72 HydrophobicContact SD-CB 4.31Å; M57-I76 HydrophobicContact CE-CB 4.44Å; M57-I76 HydrophobicContact CE-CD1 3.64Å; M57-T215 WeakPolarHBondContact CE-OG1 3.44Å
58M82.7Confident84.7Confident20 Ų2084.9 Ų84.910%0.09941%0.412CS..Hα-helixtrans-82.9-10.7-174.4-65.4-55.911600114.5S54 M60 H61 R66 S69 L72S54-M58 VanDerWaalsContact O-CB 3.25Å; S54-M58 WeakPolarHBondContact O-CB 3.01Å; S54-M58 WeakPolarHBondContact O-CG 3.42Å; S54-M58 PolarHBondContact O-N 3.14Å; M58-M60 PolarHBondContact O-N 3.5Å; M58-H61 PolarHBondContact O-N 3.22Å; M58-H61 HydrophobicContact SD-CB 4.48Å; M58-R66 HydrophobicContact SD-CB 4.38Å; M58-R66 HydrophobicContact SD-CG 4.05Å; M58-S69 VanDerWaalsContact SD-CB 3.51Å; M58-L72 HydrophobicContact CE-CD1 3.81Å
59T83.6Confident84.4Confident98 Ų9878.1 Ų78.160%0.60139%0.391SS*.THydrogen-bonded Turntrans-63.1-32.2171.946.30000112.1K55 Q56 H61K55-T59 WeakPolarHBondContact O-CG2 3.47Å; K55-T59 PolarHBondContact O-N 3.42Å; Q56-T59 PolarHBondContact O-OG1 3.16Å; T59-H61 VanDerWaalsContact C-N 3.33Å
60M75.6Confident84.4Confident134 Ų13480.6 Ų80.666%0.6640%0.404SS*.THydrogen-bonded Turntrans-80.7-13.4-178.5-54.7-111.284.900112.7M58 H223M58-M60 PolarHBondContact O-N 3.5Å; M60-H223 PolarHBondContact O-CE1 3.28Å; M60-H223 PolarHBondContact O-ND1 3.14Å
61H80.8Confident84.4Confident8 Ų880.4 Ų80.44%0.03740%0.402CS..  trans-107.5140.6-167.8-72.177.3000113.8M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 2.8Å; M58-H61 PolarHBondContact O-N 3.22Å; M58-H61 HydrophobicContact SD-CB 4.48Å; T59-H61 VanDerWaalsContact C-N 3.33Å; H61-R66 HydrophobicContact CB-CG 4.39Å; H61-R66 PolarHBondContact O-NE 3.21Å; H61-S219 PolarHBondContact CE1-O 3.15Å; H61-S219 PolarHBondContact NE2-O 3.23Å
62N78.3Confident84.3Confident116 Ų11673 Ų7362%0.6237%0.37SS*.  trans-77.2172.3172.2-144.5-8.5000111.7K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 2.79Å; N62-K64 VanDerWaalsContact O-N 3.15Å; N62-G65 PolarHBondContact O-N 3.11Å; N62-R66 PolarHBondContact O-N 3.1Å
63T79Confident84.4Confident104 Ų10470.6 Ų70.664%0.63836%0.358SS*.THydrogen-bonded Turntrans-53.6-38.5-173.253.20000114.5
64K77.6Confident84.5Confident124 Ų12472.8 Ų72.854%0.53937%0.374SS..THydrogen-bonded Turntrans-68.3-44.2175.7-69.5-178.4-179.3176.70112.4N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 2.79Å; N62-K64 VanDerWaalsContact O-N 3.15Å; K64-R66 VanDerWaalsContact C-N 3.26Å; K64-R66 PolarHBondContact O-N 3.12Å; K64-T67 WeakPolarHBondContact O-CB 3.33Å; K64-T67 PolarHBondContact O-N 3.38Å; K64-T67 PolarHBondContact O-OG1 2.99Å
65G77.4Confident84.6Confident0 Ų072.3 Ų72.30%037%0.369CS..G310 helixtrans-63.8-30.2177.500000113.1N62 T67 W68N62-G65 PolarHBondContact O-N 3.11Å; G65-T67 PolarHBondContact O-N 2.91Å; G65-T67 VanDerWaalsContact O-N 3.17Å; G65-W68 PolarHBondContact O-N 3.24Å; G65-W68 VanDerWaalsContact O-N 3.08Å
66R82.4Confident84.7Confident138 Ų13865.9 Ų65.952%0.52134%0.342SS..G310 helixtrans-62.8-21.1175.7-70.6-179.4-176-1770.4114.1M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact SD-CB 4.38Å; M58-R66 HydrophobicContact SD-CG 4.05Å; H61-R66 HydrophobicContact CB-CG 4.39Å; H61-R66 PolarHBondContact O-NE 3.21Å; N62-R66 PolarHBondContact O-N 3.1Å; K64-R66 VanDerWaalsContact C-N 3.26Å; K64-R66 PolarHBondContact O-N 3.12Å; R66-W68 PolarHBondContact O-N 2.73Å; R66-S69 WeakPolarHBondContact O-CB 3.42Å; R66-S69 PolarHBondContact O-N 3.46Å; R66-S69 VanDerWaalsContact O-N 3.07Å
67T85.3Confident85Confident103 Ų10361.6 Ų61.663%0.63232%0.323SS*.G310 helixtrans-63.4-25.7174.862.40000112.4K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.33Å; K64-T67 PolarHBondContact O-N 3.38Å; K64-T67 PolarHBondContact O-OG1 2.99Å; G65-T67 PolarHBondContact O-N 2.91Å; G65-T67 VanDerWaalsContact O-N 3.17Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.23Å
68W85.5Confident85.3Confident51 Ų5163.3 Ų63.319%0.19333%0.33CS..G310 helixtrans-85.11.7176.9-71.957.4000113.4G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 3.24Å; G65-W68 VanDerWaalsContact O-N 3.08Å; R66-W68 PolarHBondContact O-N 2.73Å; W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.14Å; W68-M71 HydrophobicContact CD2-CE 4.19Å; W68-M71 HydrophobicContact CE3-CE 3.09Å; W68-M71 HydrophobicContact CE3-SD 3.96Å; W68-M71 HydrophobicContact CH2-CE 4.49Å; W68-M71 HydrophobicContact CZ3-CE 3.29Å; W68-M71 HydrophobicContact CZ3-SD 3.88Å; W68-M71 PolarHBondContact O-N 2.95Å; W68-M71 VanDerWaalsContact O-N 3.1Å; W68-L72 PolarHBondContact O-N 3.1Å; W68-M115 HydrophobicContact CZ2-SD 3.86Å; W68-M115 PolarHBondContact NE1-SD 3.39Å; W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.74Å; W68-L222 HydrophobicContact CD2-CD2 4.12Å; W68-L222 HydrophobicContact CE3-CD1 3.94Å; W68-L222 HydrophobicContact CE3-CD2 4.45Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.62Å; W68-L222 HydrophobicContact CG-CG 4.49Å
69S86.8Confident85.7Confident28 Ų2862.4 Ų62.420%0.19633%0.325CS..Hα-helixtrans-55.2-44.8-177.6-1770000112.4M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.51Å; R66-S69 WeakPolarHBondContact O-CB 3.42Å; R66-S69 PolarHBondContact O-N 3.46Å; R66-S69 VanDerWaalsContact O-N 3.07Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.23Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.35Å; S69-L72 PolarHBondContact O-N 3.39Å; S69-V73 WeakPolarHBondContact O-CB 3.35Å; S69-V73 VanDerWaalsContact O-CG2 3.22Å; S69-V73 WeakPolarHBondContact O-CG2 3.39Å; S69-V73 PolarHBondContact O-N 3.07Å
70L90.3Very high86Confident146 Ų14659.1 Ų59.176%0.76431%0.308SS*.Hα-helixtrans-57.9-44.3179.4-170.886.7000111.3W68 S74W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.14Å; L70-S74 WeakPolarHBondContact O-CB 3.19Å; L70-S74 PolarHBondContact O-N 3.35Å; L70-S74 PolarHBondContact O-OG 3.42Å
71M90.6Very high86.7Confident58 Ų5854.3 Ų54.329%0.28629%0.286SS..Hα-helixtrans-70.8-40.8-176.6-166.8-167.372.900111.8W68 S69 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.19Å; W68-M71 HydrophobicContact CE3-CE 3.09Å; W68-M71 HydrophobicContact CE3-SD 3.96Å; W68-M71 HydrophobicContact CH2-CE 4.49Å; W68-M71 HydrophobicContact CZ3-CE 3.29Å; W68-M71 HydrophobicContact CZ3-SD 3.88Å; W68-M71 PolarHBondContact O-N 2.95Å; W68-M71 VanDerWaalsContact O-N 3.1Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.35Å; M71-S74 PolarHBondContact O-OG 2.93Å; M71-L75 WeakPolarHBondContact O-CB 3.11Å; M71-L75 PolarHBondContact O-N 2.86Å; M71-L108 HydrophobicContact CE-CD2 3.26Å; M71-L108 HydrophobicContact CG-CD2 4.32Å; M71-L108 HydrophobicContact SD-CD2 3.54Å; M71-L108 VanDerWaalsContact SD-CD2 3.54Å
72L89.9Confident87.2Confident1 Ų154.1 Ų54.11%0.00529%0.286CS..Hα-helixtrans-65.5-40.1176.8-70.5169.8000111.8M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.31Å; M58-L72 HydrophobicContact CE-CD1 3.81Å; W68-L72 PolarHBondContact O-N 3.1Å; S69-L72 PolarHBondContact O-N 3.39Å; L72-L75 PolarHBondContact O-N 3.27Å; L72-I76 PolarHBondContact O-N 3.18Å; L72-V218 HydrophobicContact CD2-CB 4.2Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å
73V91Very high87.8Confident16 Ų1648.7 Ų48.710%0.09726%0.257CS..Hα-helixtrans-70.1-42.1178.4173.10000111.4I50 S69 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.91Å; S69-V73 WeakPolarHBondContact O-CB 3.35Å; S69-V73 VanDerWaalsContact O-CG2 3.22Å; S69-V73 WeakPolarHBondContact O-CG2 3.39Å; S69-V73 PolarHBondContact O-N 3.07Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.08Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.45Å; V73-I77 HydrophobicContact CG1-CD1 3.78Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.41Å; V73-I77 WeakPolarHBondContact O-CG1 3.22Å; V73-I77 PolarHBondContact O-N 3.32Å
74S91.3Very high88.3Confident68 Ų6848.5 Ų48.548%0.47625%0.251SS..Hα-helixtrans-64.4-38.1175.964.50000111.5L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.19Å; L70-S74 PolarHBondContact O-N 3.35Å; L70-S74 PolarHBondContact O-OG 3.42Å; M71-S74 PolarHBondContact O-OG 2.93Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.42Å; S74-F78 PolarHBondContact O-N 3.19Å
75L90.4Very high88.8Confident18 Ų1844.7 Ų44.79%0.09424%0.237CC..Hα-helixtrans-64.4-48.5178.9-170.398.7000112.7M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.11Å; M71-L75 PolarHBondContact O-N 2.86Å; L72-L75 PolarHBondContact O-N 3.27Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.08Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 2.65Å; L75-F78 PolarHBondContact O-N 3.17Å; L75-I79 HydrophobicContact CD1-CD1 4.43Å; L75-I79 HydrophobicContact CD2-CD1 3.99Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 WeakPolarHBondContact O-CG1 3.06Å; L75-I79 PolarHBondContact O-N 3.47Å; L75-L108 HydrophobicContact CD1-CD1 3.32Å; L75-L108 HydrophobicContact CD1-CD2 4.42Å; L75-L108 HydrophobicContact CD1-CG 4.46Å; L75-L108 HydrophobicContact CD2-CD1 4.16Å; L75-L108 HydrophobicContact CG-CD1 4.37Å; L75-F214 HydrophobicContact CD1-CE1 4.34Å; L75-F214 HydrophobicContact CD2-CD1 3.5Å; L75-F214 VanDerWaalsContact CD2-CD1 3.5Å; L75-F214 HydrophobicContact CD2-CE1 3.46Å; L75-F214 VanDerWaalsContact CD2-CE1 3.46Å; L75-F214 HydrophobicContact CG-CE1 4.33Å; L75-T215 HydrophobicContact CB-CG2 4.39Å; L75-T215 HydrophobicContact CD2-CG2 3.41Å; L75-T215 VanDerWaalsContact CD2-CG2 3.41Å; L75-T215 HydrophobicContact CG-CG2 4.2Å
76I91.1Very high89.2Confident18 Ų1844.7 Ų44.79%0.09224%0.237CC..Hα-helixtrans-62-41.4-179.9-169.4168.7000111M57 L72 V73 A80 Y212 T215M57-I76 HydrophobicContact CE-CB 4.44Å; M57-I76 HydrophobicContact CE-CD1 3.64Å; L72-I76 PolarHBondContact O-N 3.18Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.45Å; I76-A80 WeakPolarHBondContact O-CB 3.42Å; I76-A80 PolarHBondContact O-N 2.97Å; I76-Y212 HydrophobicContact CD1-CD2 4.16Å; I76-T215 VanDerWaalsContact CA-CG2 3.45Å; I76-T215 HydrophobicContact CB-CG2 3.44Å; I76-T215 VanDerWaalsContact CB-CG2 3.44Å; I76-T215 HydrophobicContact CG1-CG2 3.99Å
77I91.3Very high89.4Confident32 Ų3239.9 Ų39.916%0.16422%0.221CC..Hα-helixtrans-67.1-42.5179.2-63.3164.8000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.38Å; I31-I77 HydrophobicContact CG1-CG2 4.45Å; I50-I77 HydrophobicContact CD1-CD1 4.08Å; I50-I77 HydrophobicContact CG1-CD1 3.69Å; V73-I77 HydrophobicContact CG1-CD1 3.78Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.41Å; V73-I77 WeakPolarHBondContact O-CG1 3.22Å; V73-I77 PolarHBondContact O-N 3.32Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 2.65Å; I77-T81 HydrophobicContact CG2-CG2 4.26Å; I77-T81 WeakPolarHBondContact O-CB 3.3Å; I77-T81 VanDerWaalsContact O-CG2 3.24Å; I77-T81 WeakPolarHBondContact O-CG2 3.45Å; I77-T81 PolarHBondContact O-N 3.46Å; I77-T81 PolarHBondContact O-OG1 3.32Å
78F90.8Very high89.5Confident48 Ų4839.6 Ų39.621%0.21122%0.215CC..Hα-helixtrans-60.7-53.3177.9-179.6-105.4000111.6I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.35Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.42Å; S74-F78 PolarHBondContact O-N 3.19Å; L75-F78 PolarHBondContact O-N 3.17Å; F78-A80 PolarHBondContact O-N 3.35Å; F78-T81 PolarHBondContact O-N 2.83Å; F78-T81 PolarHBondContact O-OG1 3.34Å; F78-T82 HydrophobicContact CD2-CG2 4.35Å; F78-T82 HydrophobicContact CE1-CG2 4.24Å; F78-T82 HydrophobicContact CE2-CG2 3.97Å; F78-T82 HydrophobicContact CZ-CG2 3.92Å; F78-T82 WeakPolarHBondContact O-CG2 3.3Å; F78-T82 PolarHBondContact O-N 2.95Å; F78-T82 PolarHBondContact O-OG1 3.34Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; F78-M100 HydrophobicContact CE1-CE 3.97Å; F78-M100 HydrophobicContact CZ-CE 3.95Å; F78-M104 HydrophobicContact CD1-SD 3.92Å; F78-M104 HydrophobicContact CE1-CE 3.96Å; F78-M104 HydrophobicContact CE1-SD 3.64Å
79I90.8Very high89.3Confident1 Ų142.4 Ų42.41%0.00524%0.24CC..Hα-helixtrans-65.2-42.3-177.9-60.5169.7000111L75 T82 N83 M104 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.43Å; L75-I79 HydrophobicContact CD2-CD1 3.99Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 WeakPolarHBondContact O-CG1 3.06Å; L75-I79 PolarHBondContact O-N 3.47Å; I79-T82 WeakPolarHBondContact CA-OG1 3.12Å; I79-T82 PolarHBondContact O-OG1 3.23Å; I79-N83 WeakPolarHBondContact O-CB 3.23Å; I79-N83 PolarHBondContact O-N 3.34Å; I79-N83 PolarHBondContact O-ND2 2.98Å; I79-N83 PolarHBondContact O-OD1 3.18Å; I79-M104 HydrophobicContact CG1-SD 4.5Å; I79-L160 HydrophobicContact CG2-CD1 3.81Å; I79-L160 HydrophobicContact CG2-CD2 4.28Å; I79-A211 HydrophobicContact CB-CB 4.06Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; I79-F214 HydrophobicContact CD1-CB 4.33Å; I79-F214 HydrophobicContact CD1-CD1 3.54Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.83Å; I79-F214 HydrophobicContact CD1-CG 3.81Å; I79-F214 HydrophobicContact CD1-CZ 4.35Å
80A90.3Very high89.1Confident29 Ų2950.6 Ų50.624%0.2428%0.275CS..Hα-helixtrans-63.3-43.9179.100000111.7I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.42Å; I76-A80 PolarHBondContact O-N 2.97Å; F78-A80 PolarHBondContact O-N 3.35Å; A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.47Å; A80-L84 PolarHBondContact O-N 3.42Å; A80-A211 HydrophobicContact CB-CB 3.93Å
81T90.8Very high88.8Confident33 Ų3345.1 Ų45.120%0.20225%0.249CC..Hα-helixtrans-68.9-42.8179.352.90000112P27 I77 F78 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.23Å; I77-T81 HydrophobicContact CG2-CG2 4.26Å; I77-T81 WeakPolarHBondContact O-CB 3.3Å; I77-T81 VanDerWaalsContact O-CG2 3.24Å; I77-T81 WeakPolarHBondContact O-CG2 3.45Å; I77-T81 PolarHBondContact O-N 3.46Å; I77-T81 PolarHBondContact O-OG1 3.32Å; F78-T81 PolarHBondContact O-N 2.83Å; F78-T81 PolarHBondContact O-OG1 3.34Å; T81-N83 VanDerWaalsContact C-N 3.35Å; T81-N83 PolarHBondContact O-N 3.26Å; T81-L84 PolarHBondContact O-N 3.08Å; T81-L85 WeakPolarHBondContact O-CB 3.34Å; T81-L85 PolarHBondContact O-N 3.35Å
82T90.6Very high88.4Confident4 Ų443.7 Ų43.73%0.02524%0.241CC..Hα-helixtrans-62.3-40.7176.451.80000112.6P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.28Å; P27-T82 HydrophobicContact CG-CG2 3.56Å; F78-T82 HydrophobicContact CD2-CG2 4.35Å; F78-T82 HydrophobicContact CE1-CG2 4.24Å; F78-T82 HydrophobicContact CE2-CG2 3.97Å; F78-T82 HydrophobicContact CZ-CG2 3.92Å; F78-T82 WeakPolarHBondContact O-CG2 3.3Å; F78-T82 PolarHBondContact O-N 2.95Å; F78-T82 PolarHBondContact O-OG1 3.34Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; I79-T82 WeakPolarHBondContact CA-OG1 3.12Å; I79-T82 PolarHBondContact O-OG1 3.23Å; T82-G86 PolarHBondContact O-N 3.16Å; T82-G86 VanDerWaalsContact O-N 3.1Å
83N90.7Very high88.1Confident2 Ų243.8 Ų43.81%0.01124%0.242CC..Hα-helixtrans-71.6-42.1-178.8-68-8.2000111.4I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact O-CB 3.23Å; I79-N83 PolarHBondContact O-N 3.34Å; I79-N83 PolarHBondContact O-ND2 2.98Å; I79-N83 PolarHBondContact O-OD1 3.18Å; T81-N83 VanDerWaalsContact C-N 3.35Å; T81-N83 PolarHBondContact O-N 3.26Å; N83-G86 WeakPolarHBondContact O-CA 3.42Å; N83-G86 PolarHBondContact O-N 2.91Å; N83-L87 PolarHBondContact O-N 3.36Å; N83-T95 WeakPolarHBondContact OD1-CB 3.25Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.41Å; N83-T95 PolarHBondContact OD1-OG1 2.83Å; N83-I164 HydrophobicContact CB-CD1 4.3Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.3Å; N83-A207 HydrophobicContact CB-CB 3.93Å
84L89.3Confident87.7Confident100 Ų10043.5 Ų43.552%0.52424%0.24SC..Hα-helixtrans-66.6-43.4178.7-169.273.7000111.6A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.47Å; A80-L84 PolarHBondContact O-N 3.42Å; T81-L84 PolarHBondContact O-N 3.08Å; L84-G86 PolarHBondContact O-N 3.15Å; L84-L87 PolarHBondContact O-N 3.45Å; L84-I204 HydrophobicContact CD1-CG2 4.16Å
85L89.3Confident87.4Confident44 Ų4440.3 Ų40.323%0.2322%0.218CC..Hα-helixtrans-58.8-33.6174.2-137.291.7000111.6F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.29Å; F26-L85 HydrophobicContact CD1-CD2 3.41Å; F26-L85 VanDerWaalsContact CD1-CD2 3.41Å; F26-L85 HydrophobicContact CD1-CG 4.47Å; F26-L85 HydrophobicContact CE1-CD1 4.13Å; F26-L85 HydrophobicContact CE1-CD2 3.74Å; F26-L85 HydrophobicContact CE1-CG 4.49Å; F26-L85 HydrophobicContact CG-CD2 4.48Å; L30-L85 HydrophobicContact CD1-CD1 3.28Å; T81-L85 WeakPolarHBondContact O-CB 3.34Å; T81-L85 PolarHBondContact O-N 3.35Å; L85-L87 VanDerWaalsContact C-N 3.25Å; L85-L87 PolarHBondContact O-N 2.91Å; L85-L88 HydrophobicContact CG-CD1 4.14Å; L85-L88 VanDerWaalsContact O-CB 3.29Å; L85-L88 WeakPolarHBondContact O-CB 3.42Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.31Å; L85-L88 PolarHBondContact O-N 3.2Å; L85-S91 PolarHBondContact O-OG 2.7Å; L85-S91 VanDerWaalsContact O-OG 3.06Å
86G85.4Confident87.2Confident1 Ų139.9 Ų39.91%0.0122%0.216CC..THydrogen-bonded Turntrans-63.7-22.9178.900000117.1T82 N83 L84 S91 H168T82-G86 PolarHBondContact O-N 3.16Å; T82-G86 VanDerWaalsContact O-N 3.1Å; N83-G86 WeakPolarHBondContact O-CA 3.42Å; N83-G86 PolarHBondContact O-N 2.91Å; L84-G86 PolarHBondContact O-N 3.15Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.32Å; G86-S91 PolarHBondContact O-OG 2.97Å; G86-H168 PolarHBondContact O-CE1 3.12Å; G86-H168 PolarHBondContact O-NE2 3.15Å
87L86.2Confident87Confident37 Ų3742.3 Ų42.319%0.19423%0.227CC..THydrogen-bonded Turntrans-83.7-4.8178.3-62.3174.7000112.1N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.36Å; L84-L87 PolarHBondContact O-N 3.45Å; L85-L87 VanDerWaalsContact C-N 3.25Å; L85-L87 PolarHBondContact O-N 2.91Å; L87-M171 HydrophobicContact CD2-CE 3.96Å; L87-E203 HydrophobicContact CD1-CG 4.37Å; L87-E203 HydrophobicContact CD2-CB 4.21Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L86.9Confident86.8Confident96 Ų9644.1 Ų44.150%0.50324%0.237SC..SBendtrans-67.2143.9174.1-64.8174.6000110.5L85 H90 S91L85-L88 HydrophobicContact CG-CD1 4.14Å; L85-L88 VanDerWaalsContact O-CB 3.29Å; L85-L88 WeakPolarHBondContact O-CB 3.42Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.31Å; L85-L88 PolarHBondContact O-N 3.2Å; L88-H90 PolarHBondContact O-N 3.04Å; L88-S91 WeakPolarHBondContact O-CB 3.32Å; L88-S91 PolarHBondContact O-N 3.02Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.1Å
89P81.8Confident86.7Confident111 Ų11145.9 Ų45.972%0.72126%0.255SS*.THydrogen-bonded Turntrans-58.5134.8-179.924.7-33.8000110.7S91P89-S91 PolarHBondContact O-N 3.15Å; P89-S91 VanDerWaalsContact O-N 3.12Å
90H82Confident86.6Confident200 Ų20047.8 Ų47.893%0.92626%0.264SS*.THydrogen-bonded Turntrans57.817.2-178.6-56.3-63.1000115.9L88L88-H90 PolarHBondContact O-N 3.04Å
91S83.9Confident86.5Confident30 Ų3046.4 Ų46.421%0.2125%0.253CS..  trans-81138.7172.468.40000111.3L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.7Å; L85-S91 VanDerWaalsContact O-OG 3.06Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.32Å; G86-S91 PolarHBondContact O-OG 2.97Å; L88-S91 WeakPolarHBondContact O-CB 3.32Å; L88-S91 PolarHBondContact O-N 3.02Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.1Å; P89-S91 PolarHBondContact O-N 3.15Å; P89-S91 VanDerWaalsContact O-N 3.12Å
92F82.5Confident86.3Confident28 Ų2847.1 Ų47.112%0.12326%0.255CS..  trans-86.6125.4170.5173.7-93.6000109.5S8 P12 T20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 2.97Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.21Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.1Å; T20-F92 HydrophobicContact CG2-CE1 3.88Å; T20-F92 HydrophobicContact CG2-CZ 4.27Å; I23-F92 HydrophobicContact CD1-CB 4.1Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.35Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å; F92-P94 HydrophobicContact CE1-CB 4.49Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å
93T83.8Confident86.2Confident3 Ų350 Ų502%0.01828%0.28CS..  trans-95.5113.1178.230.20000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.16Å; T93-T96 PolarHBondContact O-N 2.84Å; T93-T96 PolarHBondContact O-OG1 2.95Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.37Å; T93-I164 HydrophobicContact CG2-CG2 4.31Å
94P82.3Confident86Confident11 Ų1151.1 Ų51.17%0.07129%0.285CS..G310 helixtrans-64.2-23.6176.226.3-33.3000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.33Å; I24-P94 HydrophobicContact CG1-CB 3.77Å; I24-P94 HydrophobicContact CG1-CG 4.1Å; F92-P94 HydrophobicContact CE1-CB 4.49Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 2.9Å; P94-Q97 PolarHBondContact O-N 3.07Å; P94-M100 WeakPolarHBondContact O-CB 3.32Å
95T85.2Confident85.8Confident1 Ų146.5 Ų46.51%0.00626%0.261CS..G310 helixtrans-76.1-7.9179.850.40000114.6N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.25Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.41Å; N83-T95 PolarHBondContact OD1-OG1 2.83Å; T93-T95 PolarHBondContact O-N 3.16Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.16Å; T95-N101 PolarHBondContact O-OD1 3.27Å; T95-L160 HydrophobicContact CG2-CD2 3.99Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.27Å
96T85.6Confident85.8Confident9 Ų948.3 Ų48.36%0.05527%0.27CS..G310 helixtrans-74.3-26.5169.556.30000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.88Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; T93-T96 PolarHBondContact O-N 2.84Å; T93-T96 PolarHBondContact O-OG1 2.95Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.37Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 2.9Å; T96-L98 PolarHBondContact O-N 3.26Å; T96-T161 WeakPolarHBondContact O-CG2 3.03Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; T96-T165 HydrophobicContact CG2-CG2 3.72Å
97Q88.8Confident86Confident68 Ų6852.1 Ų52.132%0.31830%0.295SS..SBendtrans-78.3119.8178.3-64-62.5-32.900109.7F9 F92 P94 T95 S99 M100F9-Q97 PolarHBondContact O-NE2 2.94Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å; P94-Q97 PolarHBondContact O-N 3.07Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.33Å; Q97-M100 PolarHBondContact O-N 2.93Å; Q97-M100 VanDerWaalsContact O-N 3.1Å
98L86.6Confident86Confident70 Ų7051.3 Ų51.337%0.36629%0.291SS..Hα-helixtrans-57.4-33.2178.6-177.363.9000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.26Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.34Å; L98-N101 PolarHBondContact O-N 3.45Å; L98-L102 VanDerWaalsContact O-CB 3.25Å; L98-L102 WeakPolarHBondContact O-CB 3.28Å; L98-L102 PolarHBondContact O-N 3.07Å; L98-M154 HydrophobicContact CD2-CE 4.14Å; L98-A157 HydrophobicContact CD1-CB 4.41Å; L98-V158 HydrophobicContact CD1-CG2 3.92Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.02Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å
99S88.3Confident86Confident85 Ų8548.7 Ų48.759%0.59427%0.274SS*.Hα-helixtrans-56.6-43.7176.855.60000112.7Q97 A103Q97-S99 PolarHBondContact O-N 3.33Å; S99-A103 WeakPolarHBondContact O-CB 3.36Å; S99-A103 PolarHBondContact O-N 2.95Å
100M87.8Confident86.2Confident42 Ų4244.7 Ų44.721%0.20725%0.25CS..Hα-helixtrans-67.3-44.9-179.3-175.763.6-172.400111.3I24 F78 P94 Q97 L98 A103 M104I24-M100 HydrophobicContact CD1-SD 4.32Å; I24-M100 HydrophobicContact CG2-CE 4.38Å; F78-M100 HydrophobicContact CE1-CE 3.97Å; F78-M100 HydrophobicContact CZ-CE 3.95Å; P94-M100 WeakPolarHBondContact O-CB 3.32Å; Q97-M100 PolarHBondContact O-N 2.93Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.34Å; M100-A103 PolarHBondContact O-N 3.45Å; M100-M104 HydrophobicContact CE-CE 3.7Å; M100-M104 HydrophobicContact CE-CG 4.4Å; M100-M104 HydrophobicContact CE-SD 4.28Å; M100-M104 HydrophobicContact CG-CE 3.61Å; M100-M104 PolarHBondContact O-N 3.49Å; M100-M104 HydrophobicContact SD-CE 4.35Å
101N88.4Confident86.3Confident0 Ų036.1 Ų36.10%022%0.217CC..Hα-helixtrans-69.3-37.7-177.9-63.1-6.3000111.6T95 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.16Å; T95-N101 PolarHBondContact O-OD1 3.27Å; L98-N101 PolarHBondContact O-N 3.45Å; N101-M104 PolarHBondContact O-N 3.39Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.28Å; N101-A105 PolarHBondContact O-N 3.02Å; N101-A157 HydrophobicContact CB-CB 3.89Å; N101-A157 PolarHBondContact ND2-O 3.26Å; N101-L160 HydrophobicContact CB-CD2 4.4Å; N101-L160 VanDerWaalsContact CG-CD2 3.4Å; N101-L160 WeakPolarHBondContact ND2-CB 3.35Å; N101-L160 VanDerWaalsContact ND2-CD2 3.31Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.35Å; N101-L160 VanDerWaalsContact OD1-CD2 3.28Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.42Å; N101-T161 HydrophobicContact CB-CG2 4.39Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.38Å; N101-T161 PolarHBondContact ND2-N 3.26Å
102L86.4Confident86.3Confident47 Ų4734.8 Ų34.825%0.24621%0.207CC..Hα-helixtrans-68.6-39.6176.4-165.864.9000111.4L98 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.25Å; L98-L102 WeakPolarHBondContact O-CB 3.28Å; L98-L102 PolarHBondContact O-N 3.07Å; L102-M104 PolarHBondContact O-N 3.26Å; L102-A105 PolarHBondContact O-N 3.33Å; L102-I106 HydrophobicContact CD1-CD1 3.65Å; L102-I106 HydrophobicContact CD1-CG1 3.73Å; L102-I106 HydrophobicContact CD2-CD1 4.02Å; L102-I106 HydrophobicContact CG-CD1 3.49Å; L102-I106 VanDerWaalsContact CG-CD1 3.49Å; L102-I106 HydrophobicContact CG-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.31Å; L102-I106 PolarHBondContact O-N 3.24Å; L102-M154 HydrophobicContact CD1-SD 3.47Å; L102-M154 WeakPolarHBondContact CD1-SD 3.44Å; L102-M154 HydrophobicContact CD2-SD 4.32Å; L102-A157 HydrophobicContact CD1-CB 4.26Å
103A89.1Confident86.3Confident65 Ų6534.2 Ų34.254%0.53721%0.206SC..Hα-helixtrans-62.8-29.6173.900000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.36Å; S99-A103 PolarHBondContact O-N 2.95Å; M100-A103 PolarHBondContact O-N 3.45Å; A103-P107 WeakPolarHBondContact O-CD 3.29Å; A103-P107 WeakPolarHBondContact O-CG 3.22Å
104M85.8Confident86.3Confident25 Ų2538.8 Ų38.812%0.12323%0.229CC..Hα-helixtrans-79.2-45.6171.1-70.9-171.5-99.900112.4F78 I79 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.92Å; F78-M104 HydrophobicContact CE1-CE 3.96Å; F78-M104 HydrophobicContact CE1-SD 3.64Å; I79-M104 HydrophobicContact CG1-SD 4.5Å; M100-M104 HydrophobicContact CE-CE 3.7Å; M100-M104 HydrophobicContact CE-CG 4.4Å; M100-M104 HydrophobicContact CE-SD 4.28Å; M100-M104 HydrophobicContact CG-CE 3.61Å; M100-M104 PolarHBondContact O-N 3.49Å; M100-M104 HydrophobicContact SD-CE 4.35Å; N101-M104 PolarHBondContact O-N 3.39Å; L102-M104 PolarHBondContact O-N 3.26Å; M104-L108 WeakPolarHBondContact O-CD1 3.26Å; M104-L108 VanDerWaalsContact O-CG 3.23Å; M104-L108 WeakPolarHBondContact O-CG 3.39Å
105A86.8Confident86.3Confident3 Ų340.5 Ų40.53%0.02524%0.237CC..Hα-helixtrans-71-44.6-171.500000113.5N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.28Å; N101-A105 PolarHBondContact O-N 3.02Å; L102-A105 PolarHBondContact O-N 3.33Å; A105-L108 PolarHBondContact O-N 2.83Å; A105-W109 WeakPolarHBondContact O-CB 3.49Å; A105-W109 PolarHBondContact O-N 2.71Å; A105-A157 HydrophobicContact CB-CB 4.21Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.19Å
106I87.8Confident85.8Confident82 Ų8240.5 Ų40.542%0.42124%0.237SC..Hα-helixtrans-62.2-50.2-175.2-63.7176.4000111.7L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.65Å; L102-I106 HydrophobicContact CD1-CG1 3.73Å; L102-I106 HydrophobicContact CD2-CD1 4.02Å; L102-I106 HydrophobicContact CG-CD1 3.49Å; L102-I106 VanDerWaalsContact CG-CD1 3.49Å; L102-I106 HydrophobicContact CG-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.31Å; L102-I106 PolarHBondContact O-N 3.24Å; I106-L108 PolarHBondContact O-N 3.31Å; I106-W109 PolarHBondContact O-N 3.23Å; I106-A110 WeakPolarHBondContact O-CB 3.22Å; I106-A110 PolarHBondContact O-N 3.19Å
107P89.4Confident85.5Confident81 Ų8143.9 Ų43.953%0.52625%0.251SS..Hα-helixtrans-65.2-37-178-23.936.8000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.29Å; A103-P107 WeakPolarHBondContact O-CG 3.22Å; P107-G111 PolarHBondContact O-N 3.01Å
108L87.6Confident84.9Confident20 Ų2050.9 Ų50.911%0.10528%0.275CS..Hα-helixtrans-65.6-47178.2-69.8167.1000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.26Å; M71-L108 HydrophobicContact CG-CD2 4.32Å; M71-L108 HydrophobicContact SD-CD2 3.54Å; M71-L108 VanDerWaalsContact SD-CD2 3.54Å; L75-L108 HydrophobicContact CD1-CD1 3.32Å; L75-L108 HydrophobicContact CD1-CD2 4.42Å; L75-L108 HydrophobicContact CD1-CG 4.46Å; L75-L108 HydrophobicContact CD2-CD1 4.16Å; L75-L108 HydrophobicContact CG-CD1 4.37Å; M104-L108 WeakPolarHBondContact O-CD1 3.26Å; M104-L108 VanDerWaalsContact O-CG 3.23Å; M104-L108 WeakPolarHBondContact O-CG 3.39Å; A105-L108 PolarHBondContact O-N 2.83Å; I106-L108 PolarHBondContact O-N 3.31Å; L108-G111 PolarHBondContact O-N 2.98Å; L108-A112 PolarHBondContact O-N 3.35Å; L108-A112 VanDerWaalsContact O-N 3.07Å; L108-F214 HydrophobicContact CD1-CE1 4.05Å; L108-F214 HydrophobicContact CD1-CZ 4.44Å; L108-V218 HydrophobicContact CB-CG1 4.4Å
109W86.2Confident84.1Confident41 Ų4149.9 Ų49.916%0.15527%0.274CS..Hα-helixtrans-64.2-47.4176.3172.990.5000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.49Å; A105-W109 PolarHBondContact O-N 2.71Å; I106-W109 PolarHBondContact O-N 3.23Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.22Å; W109-A112 PolarHBondContact O-N 3.1Å; W109-A112 VanDerWaalsContact O-N 3.15Å; W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.37Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.12Å; W109-V113 PolarHBondContact O-N 3.46Å; W109-L149 HydrophobicContact CH2-CD2 4.07Å; W109-L149 HydrophobicContact CZ2-CD2 3.41Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.41Å; W109-L149 HydrophobicContact CZ2-CG 3.87Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.19Å; W109-L149 PolarHBondContact NE1-O 3.38Å; W109-L150 HydrophobicContact CH2-CD2 3.71Å; W109-L150 HydrophobicContact CZ2-CD2 4.25Å; W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.33Å; W109-P153 HydrophobicContact CD2-CB 4.33Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.35Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.77Å
110A85.4Confident83.2Confident27 Ų2750.3 Ų50.322%0.22327%0.265CS..Hα-helixtrans-60.5-40.9178.700000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.22Å; I106-A110 PolarHBondContact O-N 3.19Å; A110-V113 PolarHBondContact O-N 3.44Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.07Å; A110-I114 WeakPolarHBondContact O-CD1 3.34Å; A110-I114 WeakPolarHBondContact O-CG1 3.19Å; A110-I114 PolarHBondContact O-N 3.48Å
111G85.5Confident82.1Confident21 Ų2153.6 Ų53.622%0.21628%0.282CS..Hα-helixtrans-59.6-45.7174.600000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.01Å; L108-G111 PolarHBondContact O-N 2.98Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.22Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.41Å; G111-M115 PolarHBondContact O-N 2.92Å
112A83.1Confident80.9Confident2 Ų262.6 Ų62.62%0.01732%0.321CS..Hα-helixtrans-63.4-45.6177.300000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.35Å; L108-A112 VanDerWaalsContact O-N 3.07Å; W109-A112 PolarHBondContact O-N 3.1Å; W109-A112 VanDerWaalsContact O-N 3.15Å; A112-M115 PolarHBondContact O-N 3.29Å; A112-G116 PolarHBondContact O-N 2.9Å; A112-L222 HydrophobicContact CB-CD1 4.48Å
113V82.9Confident79.9Confident15 Ų1565.3 Ų65.39%0.09134%0.336CS..Hα-helixtrans-64.8-46.6179172.40000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.37Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.12Å; W109-V113 PolarHBondContact O-N 3.46Å; A110-V113 PolarHBondContact O-N 3.44Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.67Å; V113-G116 PolarHBondContact O-N 3.46Å; V113-G116 VanDerWaalsContact O-N 3.13Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 WeakPolarHBondContact O-CD2 3.43Å; V113-F117 PolarHBondContact O-N 3.45Å
114I84.2Confident78.7Confident100 Ų10063 Ų6351%0.51332%0.317SS..Hα-helixtrans-61.1-39.4177-68.4164000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.07Å; A110-I114 WeakPolarHBondContact O-CD1 3.34Å; A110-I114 WeakPolarHBondContact O-CG1 3.19Å; A110-I114 PolarHBondContact O-N 3.48Å; I114-G116 VanDerWaalsContact C-N 3.34Å; I114-F117 PolarHBondContact O-N 3.36Å; I114-R118 HydrophobicContact CG2-CG 4.44Å; I114-R118 WeakPolarHBondContact O-CB 3.48Å; I114-R118 WeakPolarHBondContact O-CG 3.38Å; I114-R118 PolarHBondContact O-N 3.04Å
115M80.8Confident77.6Confident46 Ų4666.2 Ų66.223%0.22733%0.334CS..Hα-helixtrans-65.4-37.7176-172.9166179.400112.2W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 3.86Å; W68-M115 PolarHBondContact NE1-SD 3.39Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.41Å; G111-M115 PolarHBondContact O-N 2.92Å; A112-M115 PolarHBondContact O-N 3.29Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.67Å; M115-R118 PolarHBondContact O-N 3.07Å; M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 2.89Å; M115-S119 PolarHBondContact O-OG 3.3Å; M115-L222 HydrophobicContact SD-CD1 4.29Å; M115-T226 HydrophobicContact CE-CG2 4.48Å
116G76Confident76.4Confident1 Ų168.7 Ų68.71%0.0135%0.354CS..Hα-helixtrans-60.8-51.2172.900000112.8A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 2.9Å; V113-G116 PolarHBondContact O-N 3.46Å; V113-G116 VanDerWaalsContact O-N 3.13Å; I114-G116 VanDerWaalsContact C-N 3.34Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.17Å; G116-S119 PolarHBondContact O-N 3.39Å; G116-S119 PolarHBondContact O-OG 3Å; G116-K120 PolarHBondContact O-N 3.06Å; G116-N225 VanDerWaalsContact CA-O 3.24Å; G116-N225 WeakPolarHBondContact CA-O 3.46Å
117F77.9Confident75.2Confident80 Ų8070.1 Ų70.135%0.35136%0.359SS..Hα-helixtrans-59.9-40.1175.7-77.2-65.7000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 WeakPolarHBondContact O-CD2 3.43Å; V113-F117 PolarHBondContact O-N 3.45Å; I114-F117 PolarHBondContact O-N 3.36Å; F117-I121 WeakPolarHBondContact O-CG1 3.18Å; F117-A124 HydrophobicContact CD1-CB 4.31Å; F117-A124 HydrophobicContact CE1-CB 4.39Å; F117-L125 HydrophobicContact CD1-CD1 4.15Å; F117-L125 HydrophobicContact CE1-CD1 3.76Å; F117-F128 HydrophobicContact CZ-CE2 4.42Å
118R77.3Confident73.9Confident216 Ų21668.1 Ų68.182%0.81534%0.342SS*.Hα-helixtrans-70-34.3178.8-74-178.969.8-167.22.1113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.44Å; I114-R118 WeakPolarHBondContact O-CB 3.48Å; I114-R118 WeakPolarHBondContact O-CG 3.38Å; I114-R118 PolarHBondContact O-N 3.04Å; M115-R118 PolarHBondContact O-N 3.07Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.17Å
119S68.7Low72.6Confident49 Ų4970 Ų7034%0.34335%0.352SS..Hα-helixtrans-88.9-39.4-172.475.80000113.4M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 2.89Å; M115-S119 PolarHBondContact O-OG 3.3Å; G116-S119 PolarHBondContact O-N 3.39Å; G116-S119 PolarHBondContact O-OG 3Å; S119-N225 PolarHBondContact OG-O 3.25Å
120K69.9Low71.4Confident94 Ų9471.2 Ų71.241%0.40937%0.365SS..  trans-147.773.6-177.2-67.4176.6-177.5157.20111.4G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.06Å; K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 2.92Å; K120-N123 HydrophobicContact CB-CB 3.93Å; K120-N123 HydrophobicContact CD-CB 4.25Å; K120-N123 PolarHBondContact O-N 2.84Å; K120-N123 VanDerWaalsContact O-N 3.13Å; K120-A124 WeakPolarHBondContact O-CB 3.3Å; K120-A124 PolarHBondContact O-N 3.35Å; K120-T226 WeakPolarHBondContact CE-O 3.23Å; K120-T226 VanDerWaalsContact NZ-C 3.35Å; K120-T226 PolarHBondContact NZ-O 3.36Å; K120-T226 PolarHBondContact NZ-OXT 3.47Å
121I64.4Low70.2Confident110 Ų11079.5 Ų79.556%0.56440%0.399SS*.Hα-helixtrans-48-49.2177.3-60171000111.6F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.18Å; I121-N123 PolarHBondContact O-N 3.39Å; I121-L125 HydrophobicContact CG2-CD1 3.84Å; I121-L125 WeakPolarHBondContact O-CD1 3.4Å; I121-L125 PolarHBondContact O-N 3.45Å
122K62.8Low69.1Low190 Ų19082.4 Ų82.483%0.82643%0.429SS*.Hα-helixtrans-66.2-37.4-176-64.6-176.2-179.8-177.60113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 2.92Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 3.43Å
123N66.4Low68.5Low103 Ų10384 Ų8455%0.55144%0.439SS*.Hα-helixtrans-79.2-36.1-177.8-146.262.4000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.93Å; K120-N123 HydrophobicContact CD-CB 4.25Å; K120-N123 PolarHBondContact O-N 2.84Å; K120-N123 VanDerWaalsContact O-N 3.13Å; I121-N123 PolarHBondContact O-N 3.39Å; N123-A126 PolarHBondContact O-N 3.49Å; N123-H127 PolarHBondContact O-N 3.31Å; N123-H127 VanDerWaalsContact O-N 3.1Å
124A63.2Low68.1Low17 Ų1786.8 Ų86.814%0.1446%0.457CS..Hα-helixtrans-62.9-42.7172.700000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.31Å; F117-A124 HydrophobicContact CE1-CB 4.39Å; K120-A124 WeakPolarHBondContact O-CB 3.3Å; K120-A124 PolarHBondContact O-N 3.35Å; A124-H127 PolarHBondContact O-N 3.16Å
125L62.9Low67.6Low93 Ų9387.8 Ų87.849%0.48747%0.468SS..Hα-helixtrans-70.5-32.3174.7-87.481.9000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.15Å; F117-L125 HydrophobicContact CE1-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CD1 3.84Å; I121-L125 WeakPolarHBondContact O-CD1 3.4Å; I121-L125 PolarHBondContact O-N 3.45Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.2Å; L125-F128 PolarHBondContact O-N 3.02Å
126A61.9Low67.7Low55 Ų5590.6 Ų90.646%0.45549%0.49SS..Hα-helixtrans-68-27.5176.500000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 3.43Å; N123-A126 PolarHBondContact O-N 3.49Å; A126-F128 PolarHBondContact O-N 2.87Å; A126-L129 CarbonylContact O-C 3.58Å; A126-L129 PolarHBondContact O-N 3.5Å
127H63.5Low67.9Low112 Ų11295.6 Ų95.652%0.51952%0.516SS..THydrogen-bonded Turntrans-66.6-20.6175.7-158.7-62.6000112.9N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.31Å; N123-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 3.16Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.2Å; H127-L129 PolarHBondContact O-N 3.45Å
128F61.3Low67.9Low39 Ų3994.2 Ų94.217%0.17151%0.511CS..THydrogen-bonded Turntrans-68.8-12171.7-68.9-58.2000113.3F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.42Å; L125-F128 PolarHBondContact O-N 3.02Å; A126-F128 PolarHBondContact O-N 2.87Å; F128-L141 WeakPolarHBondContact O-CD2 3.44Å; F128-E145 HydrophobicContact CD1-CB 4.24Å; F128-E145 HydrophobicContact CD1-CG 3.87Å; F128-T146 HydrophobicContact CD1-CG2 4.18Å; F128-T146 HydrophobicContact CE1-CG2 3.97Å; F128-T146 HydrophobicContact CZ-CG2 4.49Å; F128-L149 HydrophobicContact CE1-CD1 4.42Å
129L60.9Low68Low59 Ų5987.9 Ų87.931%0.30950%0.498SS..SBendtrans-129.5106.8-177.7-13776000111.8A126 H127 Q131 I138 V142A126-L129 CarbonylContact O-C 3.58Å; A126-L129 PolarHBondContact O-N 3.5Å; H127-L129 PolarHBondContact O-N 3.45Å; L129-Q131 PolarHBondContact O-N 2.95Å; L129-I138 HydrophobicContact CD1-CB 4.44Å; L129-I138 HydrophobicContact CD1-CG1 4.48Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.16Å; L129-I138 HydrophobicContact CD2-CG1 4.22Å; L129-I138 HydrophobicContact CD2-CG2 4.17Å; L129-V142 HydrophobicContact CD1-CG2 3.44Å; L129-V142 VanDerWaalsContact CD1-CG2 3.44Å
130P60.1Low68.7Low66 Ų6691.1 Ų91.143%0.42951%0.51SS..  trans-62.4136170.918.3-19.3000109.5G132 T133 L141P130-G132 PolarHBondContact O-N 3.33Å; P130-T133 HydrophobicContact CB-CG2 4.45Å; P130-T133 HydrophobicContact CG-CG2 3.78Å; P130-T133 WeakPolarHBondContact O-CG2 2.96Å; P130-T133 PolarHBondContact O-OG1 3.41Å; P130-L141 HydrophobicContact CG-CD1 3.82Å; P130-L141 HydrophobicContact CG-CD2 3.9Å
131Q60.6Low69.3Low201 Ų20188.9 Ų88.994%0.93950%0.502SS*.THydrogen-bonded Turntrans-64.1130.9-177.9-62.6-165.1-1.200110.3L129L129-Q131 PolarHBondContact O-N 2.95Å
132G62.1Low70.1Confident82 Ų8286 Ų8685%0.84549%0.489SS*.THydrogen-bonded Turntrans95.215.4177.500000115.9P130P130-G132 PolarHBondContact O-N 3.33Å
133T70.8Confident71.2Confident37 Ų3781.2 Ų81.223%0.22747%0.472CS..  trans-75.1137.3176.444.70000112.6P130 L141P130-T133 HydrophobicContact CB-CG2 4.45Å; P130-T133 HydrophobicContact CG-CG2 3.78Å; P130-T133 WeakPolarHBondContact O-CG2 2.96Å; P130-T133 PolarHBondContact O-OG1 3.41Å; T133-L141 HydrophobicContact CG2-CD1 3.94Å
134P73.5Confident72.1Confident73 Ų7380.7 Ų80.747%0.47447%0.468SS..  trans-62.2137.2175.5-17.929.3000111.3P136 L137P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 HydrophobicContact CB-CG 4.47Å; P134-P136 WeakPolarHBondContact O-CD 3.3Å; P134-P136 VanDerWaalsContact O-N 3.09Å; P134-L137 HydrophobicContact CB-CD1 4.43Å; P134-L137 HydrophobicContact CG-CD1 4.07Å; P134-L137 PolarHBondContact O-N 3.4Å
135T75.5Confident73Confident121 Ų12182.7 Ų82.774%0.74247%0.474SS*.THydrogen-bonded Turntrans-48.5-35.2-177.2500000116.6
136P82.2Confident73.9Confident105 Ų10580.8 Ų80.868%0.68247%0.467SS*.THydrogen-bonded Turntrans-76-21.9178.527.1-34.5000114.8P134P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 HydrophobicContact CB-CG 4.47Å; P134-P136 WeakPolarHBondContact O-CD 3.3Å; P134-P136 VanDerWaalsContact O-N 3.09Å
137L79.9Confident75Confident106 Ų10682.1 Ų82.156%0.55547%0.465SS*.THydrogen-bonded Turntrans-90.2-12.4-176.2-68.6168.5000113.3P134 M140 L141P134-L137 HydrophobicContact CB-CD1 4.43Å; P134-L137 HydrophobicContact CG-CD1 4.07Å; P134-L137 PolarHBondContact O-N 3.4Å; L137-M140 PolarHBondContact O-N 3.22Å; L137-L141 PolarHBondContact O-N 3.32Å; L137-L141 VanDerWaalsContact O-N 3.14Å
138I78.4Confident76Confident50 Ų5079.3 Ų79.326%0.25646%0.458SS..Hα-helixtrans-53.1-49.7-177.7-71.3174.7000112.7L129 M140 L141 V142L129-I138 HydrophobicContact CD1-CB 4.44Å; L129-I138 HydrophobicContact CD1-CG1 4.48Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.16Å; L129-I138 HydrophobicContact CD2-CG1 4.22Å; L129-I138 HydrophobicContact CD2-CG2 4.17Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 3.31Å; I138-L141 PolarHBondContact O-N 3.04Å; I138-V142 WeakPolarHBondContact O-CG2 3.4Å; I138-V142 PolarHBondContact O-N 2.69Å; I138-V142 VanDerWaalsContact O-N 3.14Å
139P79.1Confident77Confident84 Ų8479.6 Ų79.655%0.54546%0.461SS..Hα-helixtrans-64.7-37.3-175.5-21.433.9000113I143P139-I143 WeakPolarHBondContact O-CG1 3.24Å; P139-I143 PolarHBondContact O-N 3.14Å
140M82.6Confident78Confident117 Ų11781.9 Ų81.958%0.57647%0.473SS*.Hα-helixtrans-69.6-40.7179.3-174.162.4-175.300111.4L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.22Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 3.31Å; M140-I143 PolarHBondContact O-N 3.09Å; M140-I144 HydrophobicContact CE-CD1 4.04Å; M140-I144 HydrophobicContact CE-CG1 4.26Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.34Å; M140-I144 PolarHBondContact O-N 3.03Å; M140-I144 VanDerWaalsContact O-N 3.12Å
141L83.9Confident79.2Confident47 Ų4783.6 Ų83.625%0.24648%0.478CS..Hα-helixtrans-66.9-40.7-178.9-168.8149.6000112F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.44Å; P130-L141 HydrophobicContact CG-CD1 3.82Å; P130-L141 HydrophobicContact CG-CD2 3.9Å; T133-L141 HydrophobicContact CG2-CD1 3.94Å; L137-L141 PolarHBondContact O-N 3.32Å; L137-L141 VanDerWaalsContact O-N 3.14Å; I138-L141 PolarHBondContact O-N 3.04Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.74Å; L141-I144 PolarHBondContact O-N 2.91Å; L141-E145 WeakPolarHBondContact O-CB 3.27Å; L141-E145 PolarHBondContact O-N 3.1Å
142V81.1Confident80.2Confident48 Ų4877.3 Ų77.329%0.29145%0.448SS..Hα-helixtrans-59.1-42.8175.7174.20000110.9L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.44Å; L129-V142 VanDerWaalsContact CD1-CG2 3.44Å; I138-V142 WeakPolarHBondContact O-CG2 3.4Å; I138-V142 PolarHBondContact O-N 2.69Å; I138-V142 VanDerWaalsContact O-N 3.14Å; V142-I144 PolarHBondContact O-N 2.84Å; V142-E145 PolarHBondContact O-N 3.45Å; V142-T146 HydrophobicContact CG1-CG2 4.32Å; V142-T146 VanDerWaalsContact O-CG2 3.23Å; V142-T146 WeakPolarHBondContact O-CG2 3.28Å; V142-T146 PolarHBondContact O-N 3.08Å; V142-T146 PolarHBondContact O-OG1 2.96Å
143I84.4Confident81Confident91 Ų9174 Ų7447%0.46741%0.411SS..Hα-helixtrans-60.8-47.7176.9-66.4166.9000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.24Å; P139-I143 PolarHBondContact O-N 3.14Å; M140-I143 PolarHBondContact O-N 3.09Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.74Å; I143-E145 VanDerWaalsContact C-N 3.35Å; I143-E145 PolarHBondContact O-N 3.01Å; I143-T146 PolarHBondContact O-N 2.89Å; I143-T146 PolarHBondContact O-OG1 3.37Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 3.46Å
144I85.4Confident81.7Confident92 Ų9276 Ų7647%0.47242%0.419SS..Hα-helixtrans-61.7-43.6179.8-64.6165.1000111.1M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 4.04Å; M140-I144 HydrophobicContact CE-CG1 4.26Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.34Å; M140-I144 PolarHBondContact O-N 3.03Å; M140-I144 VanDerWaalsContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 2.91Å; V142-I144 PolarHBondContact O-N 2.84Å; I144-I147 PolarHBondContact O-N 2.99Å; I144-S148 WeakPolarHBondContact O-CB 3.46Å; I144-S148 PolarHBondContact O-N 2.97Å
145E83.5Confident82.2Confident59 Ų5974.4 Ų74.428%0.27641%0.413SS..Hα-helixtrans-67-39.7-179.2-166.361.1-158.100111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.24Å; F128-E145 HydrophobicContact CD1-CG 3.87Å; L141-E145 WeakPolarHBondContact O-CB 3.27Å; L141-E145 PolarHBondContact O-N 3.1Å; V142-E145 PolarHBondContact O-N 3.45Å; I143-E145 VanDerWaalsContact C-N 3.35Å; I143-E145 PolarHBondContact O-N 3.01Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 2.72Å; E145-S148 WeakPolarHBondContact O-CB 3.49Å; E145-S148 PolarHBondContact O-N 3.27Å; E145-L149 WeakPolarHBondContact O-CB 3.09Å; E145-L149 PolarHBondContact O-N 2.91Å
146T80.8Confident82.4Confident53 Ų5369 Ų6933%0.32538%0.379SS..Hα-helixtrans-62.5-38.2173.960.60000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.18Å; F128-T146 HydrophobicContact CE1-CG2 3.97Å; F128-T146 HydrophobicContact CZ-CG2 4.49Å; V142-T146 HydrophobicContact CG1-CG2 4.32Å; V142-T146 VanDerWaalsContact O-CG2 3.23Å; V142-T146 WeakPolarHBondContact O-CG2 3.28Å; V142-T146 PolarHBondContact O-N 3.08Å; V142-T146 PolarHBondContact O-OG1 2.96Å; I143-T146 PolarHBondContact O-N 2.89Å; I143-T146 PolarHBondContact O-OG1 3.37Å; T146-L150 WeakPolarHBondContact O-CG 3.22Å; T146-L150 PolarHBondContact O-N 2.96Å
147I85.4Confident82.5Confident83 Ų8364 Ų6443%0.42635%0.347SS..Hα-helixtrans-69.1-43.4175.5-67.6167.3000110.6I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 3.46Å; I144-I147 PolarHBondContact O-N 2.99Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 2.72Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 2.95Å; I147-L150 PolarHBondContact O-N 3.28Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.33Å; I147-I151 PolarHBondContact O-N 3.37Å
148S83.8Confident82.8Confident52 Ų5261.9 Ų61.936%0.36434%0.338SS..Hα-helixtrans-57.3-46.1177.6-177.30000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.46Å; I144-S148 PolarHBondContact O-N 2.97Å; E145-S148 WeakPolarHBondContact O-CB 3.49Å; E145-S148 PolarHBondContact O-N 3.27Å; S148-L150 VanDerWaalsContact C-N 3.3Å; S148-L150 PolarHBondContact O-N 2.99Å; S148-I151 PolarHBondContact O-N 3.46Å; S148-Q152 PolarHBondContact O-N 3.12Å; S148-Q152 VanDerWaalsContact O-N 3.15Å
149L82.3Confident83.2Confident45 Ų4564.1 Ų64.124%0.23634%0.343CS..Hα-helixtrans-60.9-36.4177.5-175.1123.7000112.2W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.07Å; W109-L149 HydrophobicContact CZ2-CD2 3.41Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.41Å; W109-L149 HydrophobicContact CZ2-CG 3.87Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.19Å; W109-L149 PolarHBondContact NE1-O 3.38Å; F128-L149 HydrophobicContact CE1-CD1 4.42Å; E145-L149 WeakPolarHBondContact O-CB 3.09Å; E145-L149 PolarHBondContact O-N 2.91Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 2.95Å; L149-P153 WeakPolarHBondContact O-CD 3.29Å
150L82.3Confident83.3Confident108 Ų10860.2 Ų60.257%0.56532%0.318SS*.Hα-helixtrans-78.2-35.5177.2-71.6173.2000113.8W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.71Å; W109-L150 HydrophobicContact CZ2-CD2 4.25Å; T146-L150 WeakPolarHBondContact O-CG 3.22Å; T146-L150 PolarHBondContact O-N 2.96Å; I147-L150 PolarHBondContact O-N 3.28Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.3Å; S148-L150 PolarHBondContact O-N 2.99Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; L150-P153 WeakPolarHBondContact O-CD 3.25Å; L150-P153 WeakPolarHBondContact O-CG 3.46Å
151I85.3Confident83.5Confident101 Ų10155.3 Ų55.352%0.51830%0.295SS..Hα-helixtrans-71.2-31.6-179.3-70.4173.4000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.33Å; I147-I151 PolarHBondContact O-N 3.37Å; S148-I151 PolarHBondContact O-N 3.46Å; I151-M154 WeakPolarHBondContact O-CB 3.15Å; I151-M154 PolarHBondContact O-N 3.07Å; I151-M154 VanDerWaalsContact O-N 3.14Å; I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.34Å; I151-A155 PolarHBondContact O-N 2.91Å
152Q82.8Confident83.5Confident70 Ų7055 Ų5533%0.32730%0.299SS..Hα-helixtrans-51.9-53.7-176.3-111.5173.2-12.500116.2S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.12Å; S148-Q152 VanDerWaalsContact O-N 3.15Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 2.72Å; Q152-A155 PolarHBondContact O-N 3.48Å; Q152-L156 PolarHBondContact O-N 3.41Å; Q152-Y221 HydrophobicContact CG-CE1 4.44Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.12Å; Q152-Y221 PolarHBondContact NE2-OH 2.99Å; Q152-Y221 PolarHBondContact OE1-OH 3.43Å
153P79.1Confident83.8Confident11 Ų1155.6 Ų55.67%0.07130%0.3CS..Hα-helixtrans-64.2-33.8178.424.2-34.8000112.2W109 L149 L150 L156 A157W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.33Å; W109-P153 HydrophobicContact CD2-CB 4.33Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.35Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.77Å; L149-P153 WeakPolarHBondContact O-CD 3.29Å; L150-P153 WeakPolarHBondContact O-CD 3.25Å; L150-P153 WeakPolarHBondContact O-CG 3.46Å; P153-L156 PolarHBondContact O-N 3.38Å; P153-A157 PolarHBondContact O-N 2.96Å; P153-A157 VanDerWaalsContact O-N 3.14Å
154M83.7Confident83.8Confident79 Ų7951.5 Ų51.539%0.38928%0.279SS..Hα-helixtrans-66.9-46.2175.2-170.765.7-173.400111.2L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.14Å; L102-M154 HydrophobicContact CD1-SD 3.47Å; L102-M154 WeakPolarHBondContact CD1-SD 3.44Å; L102-M154 HydrophobicContact CD2-SD 4.32Å; I151-M154 WeakPolarHBondContact O-CB 3.15Å; I151-M154 PolarHBondContact O-N 3.07Å; I151-M154 VanDerWaalsContact O-N 3.14Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 2.72Å; M154-L156 VanDerWaalsContact C-N 3.26Å; M154-L156 PolarHBondContact O-N 2.99Å; M154-A157 PolarHBondContact O-N 2.87Å; M154-V158 HydrophobicContact CE-CG2 4.05Å; M154-V158 HydrophobicContact CG-CG2 4.5Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.43Å; M154-V158 PolarHBondContact O-N 2.83Å
155A85Confident83.9Confident41 Ų4148.9 Ų48.934%0.33927%0.268SS..Hα-helixtrans-61.3-36.9178.100000111.8I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.34Å; I151-A155 PolarHBondContact O-N 2.91Å; Q152-A155 PolarHBondContact O-N 3.48Å; A155-R159 WeakPolarHBondContact O-CB 3.36Å; A155-R159 PolarHBondContact O-N 3.18Å
156L79.8Confident84.1Confident7 Ų748.7 Ų48.74%0.03728%0.276CS..Hα-helixtrans-63.6-48.1175.3-166.680.5000112.1Q152 P153 M154 R159 L160 F214 L217 V218Q152-L156 PolarHBondContact O-N 3.41Å; P153-L156 PolarHBondContact O-N 3.38Å; M154-L156 VanDerWaalsContact C-N 3.26Å; M154-L156 PolarHBondContact O-N 2.99Å; L156-R159 PolarHBondContact O-N 2.8Å; L156-L160 PolarHBondContact O-N 3.33Å; L156-F214 HydrophobicContact CD1-CB 4.48Å; L156-F214 HydrophobicContact CD1-CD2 4.17Å; L156-F214 HydrophobicContact CD1-CG 4.44Å; L156-F214 HydrophobicContact CD2-CD1 3.99Å; L156-F214 HydrophobicContact CD2-CD2 3.25Å; L156-F214 HydrophobicContact CD2-CE1 3.96Å; L156-F214 HydrophobicContact CD2-CE2 3.2Å; L156-F214 HydrophobicContact CD2-CG 3.66Å; L156-F214 HydrophobicContact CD2-CZ 3.58Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.68Å; L156-F214 HydrophobicContact CG-CG 4.07Å; L156-L217 HydrophobicContact CD1-CB 4.19Å; L156-L217 HydrophobicContact CD1-CD1 3.4Å; L156-L217 VanDerWaalsContact CD1-CD1 3.4Å; L156-L217 HydrophobicContact CD1-CG 4.42Å; L156-V218 HydrophobicContact CD2-CG2 4.41Å
157A83.4Confident84.4Confident0 Ų046.4 Ų46.40%026%0.263CS..Hα-helixtrans-62.7-44.7178.900000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.41Å; N101-A157 HydrophobicContact CB-CB 3.89Å; N101-A157 PolarHBondContact ND2-O 3.26Å; L102-A157 HydrophobicContact CD1-CB 4.26Å; A105-A157 HydrophobicContact CB-CB 4.21Å; P153-A157 PolarHBondContact O-N 2.96Å; P153-A157 VanDerWaalsContact O-N 3.14Å; M154-A157 PolarHBondContact O-N 2.87Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 3.24Å; A157-L160 PolarHBondContact O-N 2.87Å; A157-T161 PolarHBondContact O-N 3.38Å; A157-T161 VanDerWaalsContact O-N 3.16Å; A157-T161 PolarHBondContact O-OG1 3.43Å
158V87Confident84.5Confident62 Ų6244 Ų4438%0.37625%0.25SS..Hα-helixtrans-63.1-38.8177.1172.40000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.92Å; M154-V158 HydrophobicContact CE-CG2 4.05Å; M154-V158 HydrophobicContact CG-CG2 4.5Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.43Å; M154-V158 PolarHBondContact O-N 2.83Å; V158-L160 PolarHBondContact O-N 3.15Å; V158-T161 WeakPolarHBondContact CA-OG1 3.44Å; V158-T161 PolarHBondContact O-N 3.48Å; V158-T161 PolarHBondContact O-OG1 3.28Å; V158-A162 WeakPolarHBondContact O-CB 3.25Å; V158-A162 PolarHBondContact O-N 3.3Å
159R86.8Confident84.7Confident97 Ų9743.5 Ų43.537%0.36624%0.243SC..Hα-helixtrans-61.7-42.5178.2-167.1-172.2-59.5149.82.9111.9A155 L156 A157 N163 Q210A155-R159 WeakPolarHBondContact O-CB 3.36Å; A155-R159 PolarHBondContact O-N 3.18Å; L156-R159 PolarHBondContact O-N 2.8Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 3.24Å; R159-N163 VanDerWaalsContact O-CG 3.31Å; R159-N163 PolarHBondContact O-N 3.04Å; R159-Q210 VanDerWaalsContact CG-NE2 3.28Å
160L81.8Confident85.1Confident1 Ų145.1 Ų45.11%0.00525%0.251CS..Hα-helixtrans-66.2-45.2178.3-169.885.1000110.5I79 T95 N101 L156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 3.81Å; I79-L160 HydrophobicContact CG2-CD2 4.28Å; T95-L160 HydrophobicContact CG2-CD2 3.99Å; N101-L160 HydrophobicContact CB-CD2 4.4Å; N101-L160 VanDerWaalsContact CG-CD2 3.4Å; N101-L160 WeakPolarHBondContact ND2-CB 3.35Å; N101-L160 VanDerWaalsContact ND2-CD2 3.31Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.35Å; N101-L160 VanDerWaalsContact OD1-CD2 3.28Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.42Å; L156-L160 PolarHBondContact O-N 3.33Å; A157-L160 PolarHBondContact O-N 2.87Å; V158-L160 PolarHBondContact O-N 3.15Å; L160-I164 HydrophobicContact CD1-CD1 4.26Å; L160-I164 HydrophobicContact CG-CD1 4.03Å; L160-I164 WeakPolarHBondContact O-CG1 3.42Å; L160-I164 PolarHBondContact O-N 3Å; L160-Q210 VanDerWaalsContact CA-NE2 3.35Å; L160-Q210 HydrophobicContact CB-CG 4.34Å; L160-Q210 HydrophobicContact CD1-CB 4.27Å; L160-Q210 HydrophobicContact CD1-CG 3.31Å; L160-Q210 HydrophobicContact CG-CG 4.33Å
161T85.1Confident85.5Confident15 Ų1541.3 Ų41.39%0.09223%0.231CC..Hα-helixtrans-64.3-46.6178.545.80000112.2T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.03Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.02Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å; N101-T161 HydrophobicContact CB-CG2 4.39Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.38Å; N101-T161 PolarHBondContact ND2-N 3.26Å; A157-T161 PolarHBondContact O-N 3.38Å; A157-T161 VanDerWaalsContact O-N 3.16Å; A157-T161 PolarHBondContact O-OG1 3.43Å; V158-T161 WeakPolarHBondContact CA-OG1 3.44Å; V158-T161 PolarHBondContact O-N 3.48Å; V158-T161 PolarHBondContact O-OG1 3.28Å; T161-N163 PolarHBondContact O-N 2.98Å; T161-I164 PolarHBondContact O-N 3.48Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.4Å; T161-T165 WeakPolarHBondContact O-CG2 3.36Å; T161-T165 PolarHBondContact O-N 3.31Å; T161-T165 PolarHBondContact O-OG1 2.96Å
162A84.8Confident85.6Confident41 Ų4140.1 Ų40.134%0.33922%0.223SC..Hα-helixtrans-64.5-44.3-171.900000110.9V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.25Å; V158-A162 PolarHBondContact O-N 3.3Å; A162-T165 PolarHBondContact O-OG1 3.29Å; A162-A166 WeakPolarHBondContact O-CB 3.37Å; A162-A166 PolarHBondContact O-N 2.87Å
163N87.8Confident86Confident59 Ų5941 Ų4132%0.31623%0.23SC..Hα-helixtrans-64-48.7-179.5-68.9-5.5000111.2R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.31Å; R159-N163 PolarHBondContact O-N 3.04Å; T161-N163 PolarHBondContact O-N 2.98Å; N163-G167 PolarHBondContact O-N 3.26Å; N163-V206 HydrophobicContact CB-CG1 4.04Å
164I84.8Confident86.5Confident6 Ų642 Ų423%0.03123%0.234CC..Hα-helixtrans-70.4-39.3-176.4-59172.3000111.6N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.3Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.3Å; T93-I164 HydrophobicContact CG2-CG2 4.31Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.27Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; L160-I164 HydrophobicContact CD1-CD1 4.26Å; L160-I164 HydrophobicContact CG-CD1 4.03Å; L160-I164 WeakPolarHBondContact O-CG1 3.42Å; L160-I164 PolarHBondContact O-N 3Å; T161-I164 PolarHBondContact O-N 3.48Å; I164-H168 WeakPolarHBondContact O-CB 3.4Å; I164-H168 PolarHBondContact O-N 3.34Å; I164-H168 VanDerWaalsContact O-N 3.12Å
165T87.4Confident86.8Confident37 Ų3739.4 Ų39.423%0.22723%0.228CC..Hα-helixtrans-67.9-46177.252.80000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.41Å; F9-T165 HydrophobicContact CE1-CG2 4.08Å; T96-T165 HydrophobicContact CG2-CG2 3.72Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.4Å; T161-T165 WeakPolarHBondContact O-CG2 3.36Å; T161-T165 PolarHBondContact O-N 3.31Å; T161-T165 PolarHBondContact O-OG1 2.96Å; A162-T165 PolarHBondContact O-OG1 3.29Å; T165-H168 PolarHBondContact O-N 3.09Å; T165-L169 WeakPolarHBondContact O-CB 3.45Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 2.71Å
166A87.4Confident87Confident55 Ų5540 Ų4046%0.45523%0.229SC..Hα-helixtrans-64.4-42.8178.600000111.4A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.37Å; A162-A166 PolarHBondContact O-N 2.87Å; A166-L169 PolarHBondContact O-N 3.2Å; A166-L170 VanDerWaalsContact O-CB 3.25Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 3.23Å
167G87.8Confident87.4Confident5 Ų541.5 Ų41.55%0.05224%0.243CC..Hα-helixtrans-59.1-47.8176.300000112.7N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.26Å; G167-L170 PolarHBondContact O-N 3.01Å; G167-M171 WeakPolarHBondContact O-CB 3.1Å; G167-M171 WeakPolarHBondContact O-CG 3.49Å; G167-M171 PolarHBondContact O-N 3.35Å; G167-E203 WeakPolarHBondContact CA-OE2 3.5Å
168H87.4Confident87.7Confident32 Ų3242.4 Ų42.415%0.14825%0.248CC..Hα-helixtrans-61.8-45175.7-101-87.1000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.13Å; F9-H168 HydrophobicContact CZ-CB 3.85Å; G86-H168 PolarHBondContact O-CE1 3.12Å; G86-H168 PolarHBondContact O-NE2 3.15Å; I164-H168 WeakPolarHBondContact O-CB 3.4Å; I164-H168 PolarHBondContact O-N 3.34Å; I164-H168 VanDerWaalsContact O-N 3.12Å; T165-H168 PolarHBondContact O-N 3.09Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.5Å; H168-M171 PolarHBondContact O-N 3.38Å; H168-H172 WeakPolarHBondContact O-CB 3.5Å; H168-H172 PolarHBondContact O-N 3.18Å
169L87.8Confident87.8Confident41 Ų4145.7 Ų45.722%0.21526%0.263CS..Hα-helixtrans-61.1-42.9176-77.6170.7000111.4L5 F6 F9 T165 A166 H172 L173L5-L169 HydrophobicContact CB-CD2 4.34Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.11Å; F6-L169 HydrophobicContact CE1-CD2 4.09Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å; F9-L169 HydrophobicContact CE2-CD1 4.4Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.32Å; F9-L169 HydrophobicContact CZ-CG 3.93Å; T165-L169 WeakPolarHBondContact O-CB 3.45Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 2.71Å; A166-L169 PolarHBondContact O-N 3.2Å; L169-H172 PolarHBondContact O-N 2.74Å; L169-L173 WeakPolarHBondContact O-CB 3.43Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.31Å; L169-L173 PolarHBondContact O-N 3.21Å
170L89.8Confident87.9Confident79 Ų7943.3 Ų43.341%0.41426%0.264SS..Hα-helixtrans-68.2-41.1-178.8-156.7152.8000111.2A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.25Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 3.23Å; G167-L170 PolarHBondContact O-N 3.01Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.5Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 3.42Å; L170-L173 PolarHBondContact O-N 2.96Å; L170-I174 HydrophobicContact CD2-CD1 3.48Å; L170-I174 VanDerWaalsContact CD2-CD1 3.48Å; L170-I174 HydrophobicContact CD2-CG1 4.09Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.06Å; L170-L199 HydrophobicContact CB-CD2 4.4Å; L170-L199 HydrophobicContact CD2-CD1 3.66Å; L170-L199 HydrophobicContact CD2-CD2 3.2Å; L170-L199 HydrophobicContact CD2-CG 4.04Å; L170-L199 HydrophobicContact CG-CD2 4.38Å
171M90.3Very high88.1Confident29 Ų2946.2 Ų46.214%0.14328%0.278CS..Hα-helixtrans-59.5-43.1171.7-75.1-172.8-6700111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.96Å; G167-M171 WeakPolarHBondContact O-CB 3.1Å; G167-M171 WeakPolarHBondContact O-CG 3.49Å; G167-M171 PolarHBondContact O-N 3.35Å; H168-M171 PolarHBondContact O-N 3.38Å; M171-G175 PolarHBondContact O-N 3Å; M171-L199 HydrophobicContact CB-CD2 4.33Å; M171-L199 HydrophobicContact CG-CD2 3.57Å; M171-L199 HydrophobicContact CG-CG 4.2Å; M171-T200 HydrophobicContact SD-CG2 3.82Å; M171-E203 HydrophobicContact CE-CG 4.22Å
172H88.9Confident88.2Confident75 Ų7548.7 Ų48.735%0.34730%0.296SS..Hα-helixtrans-67.4-41.8178.3-167.5-61.5000112.3L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.49Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.48Å; H168-H172 WeakPolarHBondContact O-CB 3.5Å; H168-H172 PolarHBondContact O-N 3.18Å; L169-H172 PolarHBondContact O-N 2.74Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 3.42Å; H172-G175 PolarHBondContact O-N 3.23Å; H172-S176 WeakPolarHBondContact O-CB 3.31Å; H172-S176 PolarHBondContact O-N 3.17Å; H172-S176 PolarHBondContact O-OG 2.97Å
173L89.6Confident88.3Confident90 Ų9052.4 Ų52.447%0.47132%0.315SS..Hα-helixtrans-63.4-48.3178.2-74.5172000111.1L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 3.85Å; L5-L173 HydrophobicContact CD2-CD2 4.38Å; L169-L173 WeakPolarHBondContact O-CB 3.43Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.31Å; L169-L173 PolarHBondContact O-N 3.21Å; L170-L173 PolarHBondContact O-N 2.96Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 2.75Å; L173-S176 PolarHBondContact O-N 3.38Å; L173-S176 PolarHBondContact O-OG 3.47Å; L173-A177 PolarHBondContact O-N 3.43Å
174I90.9Very high88.3Confident32 Ų3254.7 Ų54.716%0.16433%0.326CS..Hα-helixtrans-64.8-39.8176.7-64.6-174.2000110.7L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.48Å; L170-I174 VanDerWaalsContact CD2-CD1 3.48Å; L170-I174 HydrophobicContact CD2-CG1 4.09Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.06Å; I174-S176 VanDerWaalsContact C-N 3.35Å; I174-S176 PolarHBondContact O-N 2.87Å; I174-A177 WeakPolarHBondContact O-CB 3.46Å; I174-A177 PolarHBondContact O-N 3.46Å; I174-A177 VanDerWaalsContact O-N 3.16Å; I174-T178 HydrophobicContact CG2-CG2 4.39Å; I174-T178 WeakPolarHBondContact O-CG2 3.29Å; I174-T178 PolarHBondContact O-N 3.47Å; I174-T178 PolarHBondContact O-OG1 2.87Å; I174-I192 HydrophobicContact CG2-CG2 3.78Å; I174-I195 HydrophobicContact CD1-CG2 4.05Å; I174-L196 HydrophobicContact CB-CD1 4.24Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 4.02Å; I174-L196 HydrophobicContact CG2-CG 4.49Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å
175G89.6Confident88.4Confident24 Ų2458.9 Ų58.925%0.24735%0.349CS..Hα-helixtrans-61.5-38.4174.900000113.7M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3Å; H172-G175 PolarHBondContact O-N 3.23Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 2.75Å; G175-T178 WeakPolarHBondContact CA-OG1 3.39Å; G175-T178 PolarHBondContact O-OG1 3.47Å; G175-L179 PolarHBondContact O-N 2.9Å; G175-L179 VanDerWaalsContact O-N 3.16Å
176S88.5Confident88.4Confident53 Ų5364.2 Ų64.237%0.37138%0.375SS..Hα-helixtrans-68.8-36.4173.672.30000111.9H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.31Å; H172-S176 PolarHBondContact O-N 3.17Å; H172-S176 PolarHBondContact O-OG 2.97Å; L173-S176 PolarHBondContact O-N 3.38Å; L173-S176 PolarHBondContact O-OG 3.47Å; I174-S176 VanDerWaalsContact C-N 3.35Å; I174-S176 PolarHBondContact O-N 2.87Å; S176-L179 PolarHBondContact O-N 3.37Å; S176-A180 WeakPolarHBondContact O-CB 3.42Å; S176-A180 PolarHBondContact O-N 3.29Å
177A88.3Confident88.4Confident39 Ų3966 Ų6632%0.32238%0.382SS..Hα-helixtrans-68.7-40.5176.600000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 3.43Å; I174-A177 WeakPolarHBondContact O-CB 3.46Å; I174-A177 PolarHBondContact O-N 3.46Å; I174-A177 VanDerWaalsContact O-N 3.16Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.33Å; A177-A180 PolarHBondContact O-N 3.07Å; A177-M181 WeakPolarHBondContact O-CB 3.48Å; A177-M181 WeakPolarHBondContact O-CG 3.35Å; A177-M181 PolarHBondContact O-N 3Å
178T90.2Very high88.4Confident19 Ų1967.6 Ų67.612%0.11739%0.392CS..Hα-helixtrans-61.5-42.817456.20000110.8I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.39Å; I174-T178 WeakPolarHBondContact O-CG2 3.29Å; I174-T178 PolarHBondContact O-N 3.47Å; I174-T178 PolarHBondContact O-OG1 2.87Å; G175-T178 WeakPolarHBondContact CA-OG1 3.39Å; G175-T178 PolarHBondContact O-OG1 3.47Å; T178-M181 PolarHBondContact O-N 3.05Å; T178-S182 WeakPolarHBondContact O-CB 3.23Å; T178-S182 PolarHBondContact O-N 2.99Å; T178-I192 HydrophobicContact CG2-CB 3.86Å; T178-I192 HydrophobicContact CG2-CG2 3.34Å
179L89Confident88.6Confident130 Ų13067.2 Ų67.268%0.68139%0.392SS*.Hα-helixtrans-65.2-43.2178.9-166.4132.5000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 2.9Å; G175-L179 VanDerWaalsContact O-N 3.16Å; S176-L179 PolarHBondContact O-N 3.37Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.33Å; L179-S182 PolarHBondContact O-N 3.31Å; L179-S182 PolarHBondContact O-OG 2.98Å
180A88Confident88.8Confident47 Ų4770.8 Ų70.839%0.38841%0.411SS..Hα-helixtrans-62.9-45.9174.800000112.3S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.42Å; S176-A180 PolarHBondContact O-N 3.29Å; A177-A180 PolarHBondContact O-N 3.07Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.47Å; A180-T183 PolarHBondContact O-N 3.28Å; A180-T183 PolarHBondContact O-OG1 3.34Å
181M86.6Confident88.9Confident63 Ų6372 Ų7231%0.3142%0.416SS..Hα-helixtrans-70.1-24.5-178.7-67.6-64.4107.700113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.48Å; A177-M181 WeakPolarHBondContact O-CG 3.35Å; A177-M181 PolarHBondContact O-N 3Å; T178-M181 PolarHBondContact O-N 3.05Å; M181-T183 PolarHBondContact O-N 3.45Å; M181-T183 VanDerWaalsContact O-N 3.15Å; M181-I184 HydrophobicContact CE-CD1 3.59Å; M181-I184 PolarHBondContact O-N 2.87Å; M181-I184 HydrophobicContact SD-CD1 4.23Å; M181-N185 PolarHBondContact O-N 3.44Å; M181-N185 VanDerWaalsContact O-N 3.12Å; M181-T189 PolarHBondContact O-OG1 2.9Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; M181-I192 HydrophobicContact CB-CD1 4.17Å; M181-I192 HydrophobicContact CG-CD1 3.68Å
182S87.1Confident89Confident67 Ų6772.5 Ų72.547%0.46942%0.419SS..Hα-helixtrans-57.5-29.2177.176.70000112.8T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.23Å; T178-S182 PolarHBondContact O-N 2.99Å; L179-S182 PolarHBondContact O-N 3.31Å; L179-S182 PolarHBondContact O-OG 2.98Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.47Å; S182-T189 WeakPolarHBondContact CA-OG1 3.41Å; S182-T189 PolarHBondContact N-OG1 2.85Å
183T86.8Confident89.2Confident119 Ų11972.7 Ų72.773%0.7342%0.423SS*.THydrogen-bonded Turntrans-81.1-19.117966.30000113.7A180 M181A180-T183 PolarHBondContact O-N 3.28Å; A180-T183 PolarHBondContact O-OG1 3.34Å; M181-T183 PolarHBondContact O-N 3.45Å; M181-T183 VanDerWaalsContact O-N 3.15Å
184I87.6Confident89.3Confident106 Ų10672.2 Ų72.254%0.54442%0.423SS..THydrogen-bonded Turntrans-98.4-61-173-54.1178.2000110.3M181M181-I184 HydrophobicContact CE-CD1 3.59Å; M181-I184 PolarHBondContact O-N 2.87Å; M181-I184 HydrophobicContact SD-CD1 4.23Å
185N87.6Confident89.5Confident95 Ų9574.7 Ų74.751%0.50844%0.436SS..  trans-145.9126.1-172-82.9-19.4000111.4M181 S188 T189M181-N185 PolarHBondContact O-N 3.44Å; M181-N185 VanDerWaalsContact O-N 3.12Å; N185-S188 VanDerWaalsContact CB-OG 3.26Å; N185-S188 WeakPolarHBondContact CB-OG 3.26Å; N185-S188 PolarHBondContact O-OG 3.11Å; N185-T189 PolarHBondContact O-N 3.36Å; N185-T189 PolarHBondContact O-OG1 2.58Å
186L86.9Confident89.7Confident148 Ų14875.1 Ų75.178%0.77543%0.433SS*.Hα-helixtrans-62.5-46.2176.8-160.789000114.2S188 T189 L190L186-S188 PolarHBondContact O-N 3.45Å; L186-T189 WeakPolarHBondContact O-CB 3.49Å; L186-T189 PolarHBondContact O-N 3.3Å; L186-L190 PolarHBondContact O-N 2.76Å; L186-L190 VanDerWaalsContact O-N 3.14Å
187P88.8Confident89.9Confident93 Ų9377 Ų7760%0.60444%0.437SS*.Hα-helixtrans-68.6-37.3-174.125-33.3000113.1T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-L190 PolarHBondContact O-N 3.5Å; P187-I191 PolarHBondContact O-N 3.4Å
188S87.3Confident90.2Very high38 Ų3880.9 Ų80.927%0.26645%0.452SS..Hα-helixtrans-66.5-35.5174.350.30000112N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.26Å; N185-S188 WeakPolarHBondContact CB-OG 3.26Å; N185-S188 PolarHBondContact O-OG 3.11Å; L186-S188 PolarHBondContact O-N 3.45Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 3.19Å; S188-I191 PolarHBondContact O-N 2.97Å; S188-I192 WeakPolarHBondContact O-CG1 3.44Å; S188-I192 PolarHBondContact O-N 3.42Å; S188-I192 VanDerWaalsContact O-N 3.11Å
189T91.4Very high90.3Very high24 Ų2481.1 Ų81.115%0.14745%0.453CS..Hα-helixtrans-62.4-41.2175.9-58.60000111.3M181 S182 N185 L186 P187 I191 I192 L193M181-T189 PolarHBondContact O-OG1 2.9Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; S182-T189 WeakPolarHBondContact CA-OG1 3.41Å; S182-T189 PolarHBondContact N-OG1 2.85Å; N185-T189 PolarHBondContact O-N 3.36Å; N185-T189 PolarHBondContact O-OG1 2.58Å; L186-T189 WeakPolarHBondContact O-CB 3.49Å; L186-T189 PolarHBondContact O-N 3.3Å; P187-T189 VanDerWaalsContact C-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.33Å; T189-I192 PolarHBondContact O-N 3.09Å; T189-L193 WeakPolarHBondContact O-CB 3.29Å; T189-L193 PolarHBondContact O-N 3.39Å
190L90.9Very high90.4Very high116 Ų11677.3 Ų77.361%0.60744%0.435SS*.Hα-helixtrans-60.4-41.9177.3-154.391.7000111.6L186 P187 S188 L193 T194L186-L190 PolarHBondContact O-N 2.76Å; L186-L190 VanDerWaalsContact O-N 3.14Å; P187-L190 PolarHBondContact O-N 3.5Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 3.19Å; L190-L193 PolarHBondContact O-N 3.36Å; L190-T194 WeakPolarHBondContact O-CG2 3.43Å; L190-T194 PolarHBondContact O-N 2.95Å
191I92.6Very high90.6Very high104 Ų10480 Ų8053%0.53344%0.442SS..Hα-helixtrans-64.1-44.4178.2-64164000111.2P187 S188 T189 L193 T194 I195P187-I191 PolarHBondContact O-N 3.4Å; S188-I191 PolarHBondContact O-N 2.97Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.33Å; I191-L193 VanDerWaalsContact C-N 3.31Å; I191-L193 PolarHBondContact O-N 2.96Å; I191-T194 PolarHBondContact O-N 3.5Å; I191-T194 PolarHBondContact O-OG1 3.06Å; I191-I195 HydrophobicContact CG2-CD1 4.32Å; I191-I195 WeakPolarHBondContact O-CG1 3.01Å; I191-I195 PolarHBondContact O-N 2.87Å
192I92.6Very high90.9Very high40 Ų4081.8 Ų81.821%0.20545%0.452CS..Hα-helixtrans-70.3-33.4179.8-56.6167000110.4I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.78Å; T178-I192 HydrophobicContact CG2-CB 3.86Å; T178-I192 HydrophobicContact CG2-CG2 3.34Å; M181-I192 HydrophobicContact CB-CD1 4.17Å; M181-I192 HydrophobicContact CG-CD1 3.68Å; S188-I192 WeakPolarHBondContact O-CG1 3.44Å; S188-I192 PolarHBondContact O-N 3.42Å; S188-I192 VanDerWaalsContact O-N 3.11Å; T189-I192 PolarHBondContact O-N 3.09Å; I192-I195 WeakPolarHBondContact O-CB 3.39Å; I192-I195 PolarHBondContact O-N 3.2Å; I192-L196 PolarHBondContact O-N 2.96Å
193L92.3Very high91Very high79 Ų7979.2 Ų79.241%0.41443%0.433SS..Hα-helixtrans-63.8-41.6173.9-172.474.8000111.9T189 L190 I191 I195 L196 I197T189-L193 WeakPolarHBondContact O-CB 3.29Å; T189-L193 PolarHBondContact O-N 3.39Å; L190-L193 PolarHBondContact O-N 3.36Å; I191-L193 VanDerWaalsContact C-N 3.31Å; I191-L193 PolarHBondContact O-N 2.96Å; L193-I195 VanDerWaalsContact C-N 3.3Å; L193-I195 PolarHBondContact O-N 2.94Å; L193-L196 WeakPolarHBondContact O-CB 3.43Å; L193-L196 PolarHBondContact O-N 2.92Å; L193-I197 HydrophobicContact CG-CD1 4.37Å; L193-I197 WeakPolarHBondContact O-CG1 3.23Å; L193-I197 PolarHBondContact O-N 3.16Å
194T93.1Very high91.2Very high80 Ų8077.4 Ų77.449%0.49142%0.418SS..Hα-helixtrans-63.9-37.8175.560.70000111.6L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.43Å; L190-T194 PolarHBondContact O-N 2.95Å; I191-T194 PolarHBondContact O-N 3.5Å; I191-T194 PolarHBondContact O-OG1 3.06Å; T194-I197 PolarHBondContact O-N 2.99Å; T194-L198 PolarHBondContact O-N 3.41Å
195I94Very high91.4Very high84 Ų8474.6 Ų74.643%0.43141%0.41SS..Hα-helixtrans-62.1-42.9173.1-65.1166.9000111I174 I191 I192 L193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.05Å; I191-I195 HydrophobicContact CG2-CD1 4.32Å; I191-I195 WeakPolarHBondContact O-CG1 3.01Å; I191-I195 PolarHBondContact O-N 2.87Å; I192-I195 WeakPolarHBondContact O-CB 3.39Å; I192-I195 PolarHBondContact O-N 3.2Å; L193-I195 VanDerWaalsContact C-N 3.3Å; L193-I195 PolarHBondContact O-N 2.94Å; I195-I197 PolarHBondContact O-N 2.96Å; I195-L198 PolarHBondContact O-N 3.19Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 PolarHBondContact O-N 3.45Å
196L93.4Very high91.6Very high34 Ų3471.9 Ų71.918%0.17840%0.397CS..Hα-helixtrans-60.7-43.5176.9-177.763.7000111.7I174 I192 L193 L199 T200I174-L196 HydrophobicContact CB-CD1 4.24Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 4.02Å; I174-L196 HydrophobicContact CG2-CG 4.49Å; I192-L196 PolarHBondContact O-N 2.96Å; L193-L196 WeakPolarHBondContact O-CB 3.43Å; L193-L196 PolarHBondContact O-N 2.92Å; L196-L199 PolarHBondContact O-N 3.28Å; L196-T200 WeakPolarHBondContact O-CG2 3.32Å; L196-T200 PolarHBondContact O-N 2.87Å
197I92.7Very high91.7Very high91 Ų9165.1 Ų65.147%0.46736%0.362SS..Hα-helixtrans-64.2-41.4176.7-66.1164.5000111L193 T194 I195 L199 T200 I201L193-I197 HydrophobicContact CG-CD1 4.37Å; L193-I197 WeakPolarHBondContact O-CG1 3.23Å; L193-I197 PolarHBondContact O-N 3.16Å; T194-I197 PolarHBondContact O-N 2.99Å; I195-I197 PolarHBondContact O-N 2.96Å; I197-L199 VanDerWaalsContact C-N 3.3Å; I197-L199 PolarHBondContact O-N 2.8Å; I197-T200 PolarHBondContact O-N 2.83Å; I197-T200 PolarHBondContact O-OG1 3.42Å; I197-I201 HydrophobicContact CG2-CD1 4.18Å; I197-I201 WeakPolarHBondContact O-CG1 3.24Å; I197-I201 PolarHBondContact O-N 3.2Å
198L94.6Very high91.7Very high121 Ų12166.4 Ų66.463%0.63436%0.363SS*.Hα-helixtrans-63.8-40.2177.3-174.462.8000111.4T194 I195 I201 L202T194-L198 PolarHBondContact O-N 3.41Å; I195-L198 PolarHBondContact O-N 3.19Å; L198-I201 PolarHBondContact O-N 3.4Å; L198-L202 PolarHBondContact O-N 3.01Å
199L93.1Very high91.9Very high24 Ų2469.1 Ų69.113%0.12637%0.374CS..Hα-helixtrans-64.4-42.1177.2-178.273.5000112.2L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.4Å; L170-L199 HydrophobicContact CD2-CD1 3.66Å; L170-L199 HydrophobicContact CD2-CD2 3.2Å; L170-L199 HydrophobicContact CD2-CG 4.04Å; L170-L199 HydrophobicContact CG-CD2 4.38Å; M171-L199 HydrophobicContact CB-CD2 4.33Å; M171-L199 HydrophobicContact CG-CD2 3.57Å; M171-L199 HydrophobicContact CG-CG 4.2Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 PolarHBondContact O-N 3.45Å; L196-L199 PolarHBondContact O-N 3.28Å; I197-L199 VanDerWaalsContact C-N 3.3Å; I197-L199 PolarHBondContact O-N 2.8Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 3.39Å; L199-L202 HydrophobicContact CD1-CD2 4.46Å; L199-L202 WeakPolarHBondContact O-CB 3.46Å; L199-L202 PolarHBondContact O-N 3.16Å; L199-E203 PolarHBondContact O-N 3.48Å
200T91.2Very high91.8Very high51 Ų5168.5 Ų68.531%0.31337%0.369SS..Hα-helixtrans-64.1-38.1178.457.30000111.3M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.82Å; L196-T200 WeakPolarHBondContact O-CG2 3.32Å; L196-T200 PolarHBondContact O-N 2.87Å; I197-T200 PolarHBondContact O-N 2.83Å; I197-T200 PolarHBondContact O-OG1 3.42Å; T200-E203 PolarHBondContact O-N 3.46Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.37Å; T200-I204 PolarHBondContact O-N 3.15Å
201I92.5Very high91.7Very high103 Ų10363 Ų6353%0.52834%0.341SS..Hα-helixtrans-62.5-44.1173.5-65.5166.4000110.7I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.18Å; I197-I201 WeakPolarHBondContact O-CG1 3.24Å; I197-I201 PolarHBondContact O-N 3.2Å; L198-I201 PolarHBondContact O-N 3.4Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 3.39Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.32Å; I201-I204 PolarHBondContact O-N 3.43Å; I201-A205 PolarHBondContact O-N 3.03Å; I201-A205 VanDerWaalsContact O-N 3.15Å
202L91.8Very high91.5Very high100 Ų10062.9 Ų62.952%0.52433%0.334SS..Hα-helixtrans-59.8-45.5176.4-179.368.3000111.1L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.01Å; L199-L202 HydrophobicContact CD1-CD2 4.46Å; L199-L202 WeakPolarHBondContact O-CB 3.46Å; L199-L202 PolarHBondContact O-N 3.16Å; L202-I204 PolarHBondContact O-N 2.87Å; L202-A205 WeakPolarHBondContact O-CB 3.31Å; L202-A205 PolarHBondContact O-N 3.17Å; L202-A205 VanDerWaalsContact O-N 3.11Å; L202-V206 HydrophobicContact CD1-CG2 4.42Å; L202-V206 HydrophobicContact CG-CG2 4.34Å; L202-V206 WeakPolarHBondContact O-CG2 3.48Å; L202-V206 PolarHBondContact O-N 3.48Å
203E90.8Very high91.4Very high13 Ų1363 Ų636%0.06134%0.337CS..Hα-helixtrans-67.1-36.7-176.9-162.464.4-160.400112L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.37Å; L87-E203 HydrophobicContact CD2-CB 4.21Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; G167-E203 WeakPolarHBondContact CA-OE2 3.5Å; M171-E203 HydrophobicContact CE-CG 4.22Å; L199-E203 PolarHBondContact O-N 3.48Å; T200-E203 PolarHBondContact O-N 3.46Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.32Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 2.91Å; E203-V206 PolarHBondContact O-N 3.34Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.44Å; E203-A207 PolarHBondContact O-N 3.01Å
204I90.7Very high91.1Very high82 Ų8259.3 Ų59.342%0.42132%0.318SS..Hα-helixtrans-59.8-43.3171.4-67.4164.9000110.6L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.16Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.37Å; T200-I204 PolarHBondContact O-N 3.15Å; I201-I204 PolarHBondContact O-N 3.43Å; L202-I204 PolarHBondContact O-N 2.87Å; I204-L208 PolarHBondContact O-N 3.13Å
205A91.7Very high90.9Very high46 Ų4655.5 Ų55.538%0.3829%0.294SS..Hα-helixtrans-65.3-46177.300000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.03Å; I201-A205 VanDerWaalsContact O-N 3.15Å; L202-A205 WeakPolarHBondContact O-CB 3.31Å; L202-A205 PolarHBondContact O-N 3.17Å; L202-A205 VanDerWaalsContact O-N 3.11Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 2.91Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 2.93Å; A205-L208 PolarHBondContact O-N 2.99Å; A205-I209 WeakPolarHBondContact O-CB 3.39Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.27Å; A205-I209 PolarHBondContact O-N 3.25Å
206V91.7Very high90.6Very high38 Ų3854.4 Ų54.423%0.2329%0.289CS..Hα-helixtrans-61.1-42.1178172.90000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.04Å; L202-V206 HydrophobicContact CD1-CG2 4.42Å; L202-V206 HydrophobicContact CG-CG2 4.34Å; L202-V206 WeakPolarHBondContact O-CG2 3.48Å; L202-V206 PolarHBondContact O-N 3.48Å; E203-V206 PolarHBondContact O-N 3.34Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.48Å; V206-I209 PolarHBondContact O-N 3.07Å; V206-Q210 WeakPolarHBondContact O-CB 3.44Å; V206-Q210 PolarHBondContact O-N 3.4Å
207A89.1Confident90.3Very high6 Ų654.6 Ų54.65%0.0529%0.29CS..Hα-helixtrans-57.7-42.217800000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.93Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.44Å; E203-A207 PolarHBondContact O-N 3.01Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 2.93Å; A207-A211 PolarHBondContact O-N 3.44Å
208L88.8Confident89.9Confident120 Ų12050.7 Ų50.763%0.62827%0.27SS*.Hα-helixtrans-75.4-44.8179.2-169.2149.8000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.13Å; A205-L208 PolarHBondContact O-N 2.99Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.48Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.39Å; L208-A211 PolarHBondContact O-N 2.93Å; L208-Y212 PolarHBondContact O-N 3.41Å; L208-Y212 VanDerWaalsContact O-N 3.15Å
209I90.7Very high89.4Confident96 Ų9645.4 Ų45.449%0.49224%0.243SC..Hα-helixtrans-60.2-41.4177.7-69.1166.6000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.39Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.27Å; A205-I209 PolarHBondContact O-N 3.25Å; V206-I209 PolarHBondContact O-N 3.07Å; I209-A211 PolarHBondContact O-N 3.27Å; I209-Y212 WeakPolarHBondContact O-CB 3.48Å; I209-Y212 PolarHBondContact O-N 2.91Å; I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.41Å; I209-V213 PolarHBondContact O-N 2.78Å
210Q88.9Confident89Confident10 Ų1047.9 Ų47.95%0.04726%0.257CS..Hα-helixtrans-67.7-37.5-177.4-174.664.9600112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact CG-NE2 3.28Å; L160-Q210 VanDerWaalsContact CA-NE2 3.35Å; L160-Q210 HydrophobicContact CB-CG 4.34Å; L160-Q210 HydrophobicContact CD1-CB 4.27Å; L160-Q210 HydrophobicContact CD1-CG 3.31Å; L160-Q210 HydrophobicContact CG-CG 4.33Å; V206-Q210 WeakPolarHBondContact O-CB 3.44Å; V206-Q210 PolarHBondContact O-N 3.4Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.39Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.43Å; Q210-F214 PolarHBondContact O-N 2.65Å
211A89.3Confident88.4Confident1 Ų146.7 Ų46.71%0.00825%0.246CC..Hα-helixtrans-60.8-43.9171.500000111.2I79 A80 A207 L208 I209 T215I79-A211 HydrophobicContact CB-CB 4.06Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; A80-A211 HydrophobicContact CB-CB 3.93Å; A207-A211 PolarHBondContact O-N 3.44Å; L208-A211 PolarHBondContact O-N 2.93Å; I209-A211 PolarHBondContact O-N 3.27Å; A211-T215 VanDerWaalsContact O-CG2 3.26Å; A211-T215 WeakPolarHBondContact O-CG2 3.38Å; A211-T215 PolarHBondContact O-N 2.92Å; A211-T215 PolarHBondContact O-OG1 2.9Å
212Y89.5Confident87.8Confident101 Ų10141.9 Ų41.940%0.39622%0.222SC..Hα-helixtrans-62.7-52.3176.8177.4-101.5000112.4I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.16Å; L208-Y212 PolarHBondContact O-N 3.41Å; L208-Y212 VanDerWaalsContact O-N 3.15Å; I209-Y212 WeakPolarHBondContact O-CB 3.48Å; I209-Y212 PolarHBondContact O-N 2.91Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 3.48Å; Y212-T215 PolarHBondContact O-N 3.35Å; Y212-T215 VanDerWaalsContact O-N 3.16Å; Y212-T215 PolarHBondContact O-OG1 3.48Å; Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.29Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.18Å
213V89.6Confident87.3Confident44 Ų4441.3 Ų41.327%0.26722%0.216SC..Hα-helixtrans-59.7-39.3-179.6171.60000111.6I209 L216 L217I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.41Å; I209-V213 PolarHBondContact O-N 2.78Å; V213-L216 PolarHBondContact O-N 2.93Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 WeakPolarHBondContact O-CG 3.34Å; V213-L217 PolarHBondContact O-N 3.46Å
214F86.8Confident86.6Confident1 Ų144 Ų440%0.00423%0.231CC..Hα-helixtrans-57.6-53.2175.2-173.2-72.2000111.2L75 I79 A105 L108 L156 Q210 Y212 L216 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.34Å; L75-F214 HydrophobicContact CD2-CD1 3.5Å; L75-F214 VanDerWaalsContact CD2-CD1 3.5Å; L75-F214 HydrophobicContact CD2-CE1 3.46Å; L75-F214 VanDerWaalsContact CD2-CE1 3.46Å; L75-F214 HydrophobicContact CG-CE1 4.33Å; I79-F214 HydrophobicContact CD1-CB 4.33Å; I79-F214 HydrophobicContact CD1-CD1 3.54Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.83Å; I79-F214 HydrophobicContact CD1-CG 3.81Å; I79-F214 HydrophobicContact CD1-CZ 4.35Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.19Å; L108-F214 HydrophobicContact CD1-CE1 4.05Å; L108-F214 HydrophobicContact CD1-CZ 4.44Å; L156-F214 HydrophobicContact CD1-CB 4.48Å; L156-F214 HydrophobicContact CD1-CD2 4.17Å; L156-F214 HydrophobicContact CD1-CG 4.44Å; L156-F214 HydrophobicContact CD2-CD1 3.99Å; L156-F214 HydrophobicContact CD2-CD2 3.25Å; L156-F214 HydrophobicContact CD2-CE1 3.96Å; L156-F214 HydrophobicContact CD2-CE2 3.2Å; L156-F214 HydrophobicContact CD2-CG 3.66Å; L156-F214 HydrophobicContact CD2-CZ 3.58Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.68Å; L156-F214 HydrophobicContact CG-CG 4.07Å; Q210-F214 WeakPolarHBondContact O-CB 3.43Å; Q210-F214 PolarHBondContact O-N 2.65Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 3.48Å; F214-L216 PolarHBondContact O-N 3.41Å; F214-L217 PolarHBondContact O-N 3.49Å; F214-V218 HydrophobicContact CD1-CG2 4.22Å; F214-V218 HydrophobicContact CE1-CG2 4.02Å; F214-V218 WeakPolarHBondContact O-CG2 3.49Å; F214-V218 PolarHBondContact O-N 3.01Å
215T88.4Confident85.7Confident0 Ų041.6 Ų41.60%022%0.219CC..Hα-helixtrans-69-35.4-176.760.10000112.8M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.44Å; L75-T215 HydrophobicContact CB-CG2 4.39Å; L75-T215 HydrophobicContact CD2-CG2 3.41Å; L75-T215 VanDerWaalsContact CD2-CG2 3.41Å; L75-T215 HydrophobicContact CG-CG2 4.2Å; I76-T215 VanDerWaalsContact CA-CG2 3.45Å; I76-T215 HydrophobicContact CB-CG2 3.44Å; I76-T215 VanDerWaalsContact CB-CG2 3.44Å; I76-T215 HydrophobicContact CG1-CG2 3.99Å; A211-T215 VanDerWaalsContact O-CG2 3.26Å; A211-T215 WeakPolarHBondContact O-CG2 3.38Å; A211-T215 PolarHBondContact O-N 2.92Å; A211-T215 PolarHBondContact O-OG1 2.9Å; Y212-T215 PolarHBondContact O-N 3.35Å; Y212-T215 VanDerWaalsContact O-N 3.16Å; Y212-T215 PolarHBondContact O-OG1 3.48Å; T215-V218 PolarHBondContact O-N 3.35Å; T215-S219 WeakPolarHBondContact O-CB 3.46Å; T215-S219 PolarHBondContact O-N 3.25Å
216L87.6Confident84.6Confident61 Ų6141.1 Ų41.132%0.31921%0.211SC..Hα-helixtrans-63.8-45.4176.6-175.3149.5000111.2Y212 V213 F214 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.29Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.18Å; V213-L216 PolarHBondContact O-N 2.93Å; F214-L216 PolarHBondContact O-N 3.41Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.41Å; L216-S219 PolarHBondContact O-N 3.45Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 2.97Å; L216-L220 PolarHBondContact O-N 3.11Å
217L85.8Confident84.2Confident37 Ų3741.3 Ų41.319%0.19421%0.21CC..Hα-helixtrans-62.7-43.8177.4-76.3167.5000111.5L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 4.19Å; L156-L217 HydrophobicContact CD1-CD1 3.4Å; L156-L217 VanDerWaalsContact CD1-CD1 3.4Å; L156-L217 HydrophobicContact CD1-CG 4.42Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 WeakPolarHBondContact O-CG 3.34Å; V213-L217 PolarHBondContact O-N 3.46Å; F214-L217 PolarHBondContact O-N 3.49Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.86Å; L217-L220 PolarHBondContact O-N 2.8Å; L217-L220 VanDerWaalsContact O-N 3.16Å; L217-Y221 HydrophobicContact CB-CE2 4.11Å; L217-Y221 WeakPolarHBondContact O-CD2 3.37Å; L217-Y221 WeakPolarHBondContact O-CE2 3.33Å; L217-Y221 PolarHBondContact O-N 3.15Å
218V84.6Confident84Confident9 Ų943.1 Ų43.16%0.05522%0.219CC..Hα-helixtrans-58.3-41.51731780000111.5L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.2Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å; L108-V218 HydrophobicContact CB-CG1 4.4Å; L156-V218 HydrophobicContact CD2-CG2 4.41Å; F214-V218 HydrophobicContact CD1-CG2 4.22Å; F214-V218 HydrophobicContact CE1-CG2 4.02Å; F214-V218 WeakPolarHBondContact O-CG2 3.49Å; F214-V218 PolarHBondContact O-N 3.01Å; T215-V218 PolarHBondContact O-N 3.35Å; V218-Y221 PolarHBondContact O-N 3.21Å; V218-L222 PolarHBondContact O-N 3.12Å; V218-L222 VanDerWaalsContact O-N 3.08Å
219S85.5Confident83.7Confident10 Ų1038.8 Ų38.87%0.0720%0.196CC..Hα-helixtrans-66.5-37.8177.386.80000112.2H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-O 3.15Å; H61-S219 PolarHBondContact NE2-O 3.23Å; T215-S219 WeakPolarHBondContact O-CB 3.46Å; T215-S219 PolarHBondContact O-N 3.25Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.41Å; L216-S219 PolarHBondContact O-N 3.45Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 2.97Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.86Å; S219-L222 WeakPolarHBondContact O-CB 3.26Å; S219-L222 PolarHBondContact O-N 2.79Å; S219-H223 PolarHBondContact O-N 3.04Å
220L83.5Confident83.3Confident77 Ų7735.5 Ų35.540%0.40318%0.179SC..Hα-helixtrans-67.1-41.4177.5-171.7146.8000110.8L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.11Å; L217-L220 PolarHBondContact O-N 2.8Å; L217-L220 VanDerWaalsContact O-N 3.16Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.31Å; L220-H223 WeakPolarHBondContact O-CB 3.36Å; L220-H223 PolarHBondContact O-N 3.17Å; L220-H223 VanDerWaalsContact O-N 3.1Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.35Å; L220-D224 PolarHBondContact O-N 3.47Å
221Y79.1Confident83Confident25 Ų2537.1 Ų37.110%0.09819%0.187CC..Hα-helixtrans-60.5-39.1172.2-63.6-52.9000112.4Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.44Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.12Å; Q152-Y221 PolarHBondContact NE2-OH 2.99Å; Q152-Y221 PolarHBondContact OE1-OH 3.43Å; L217-Y221 HydrophobicContact CB-CE2 4.11Å; L217-Y221 WeakPolarHBondContact O-CD2 3.37Å; L217-Y221 WeakPolarHBondContact O-CE2 3.33Å; L217-Y221 PolarHBondContact O-N 3.15Å; V218-Y221 PolarHBondContact O-N 3.21Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.39Å; Y221-N225 PolarHBondContact O-N 3.12Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.3Å
222L80.3Confident82.5Confident2 Ų239.5 Ų39.51%0.0120%0.199CC..Hα-helixtrans-64.2-42.1176.2-168.774.7000110.5W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.74Å; W68-L222 HydrophobicContact CD2-CD2 4.12Å; W68-L222 HydrophobicContact CE3-CD1 3.94Å; W68-L222 HydrophobicContact CE3-CD2 4.45Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.62Å; W68-L222 HydrophobicContact CG-CG 4.49Å; A112-L222 HydrophobicContact CB-CD1 4.48Å; M115-L222 HydrophobicContact SD-CD1 4.29Å; V218-L222 PolarHBondContact O-N 3.12Å; V218-L222 VanDerWaalsContact O-N 3.08Å; S219-L222 WeakPolarHBondContact O-CB 3.26Å; S219-L222 PolarHBondContact O-N 2.79Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.31Å; L222-N225 PolarHBondContact O-N 3.36Å; L222-T226 HydrophobicContact CD1-CG2 4.4Å; L222-T226 HydrophobicContact CG-CG2 4.27Å; L222-T226 WeakPolarHBondContact O-CB 3.43Å; L222-T226 WeakPolarHBondContact O-CG2 3.39Å; L222-T226 PolarHBondContact O-N 3.36Å; L222-T226 VanDerWaalsContact O-N 3.1Å; L222-T226 PolarHBondContact O-OG1 3.24Å
223H80.5Confident82Confident88 Ų8835.1 Ų35.141%0.40719%0.185SC..Hα-helixtrans-58.9-52.1176-174.485.2000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.28Å; M60-H223 PolarHBondContact O-ND1 3.14Å; S219-H223 PolarHBondContact O-N 3.04Å; L220-H223 WeakPolarHBondContact O-CB 3.36Å; L220-H223 PolarHBondContact O-N 3.17Å; L220-H223 VanDerWaalsContact O-N 3.1Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.41Å; H223-T226 PolarHBondContact O-N 3.28Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 2.99Å
224D76.9Confident81.5Confident71 Ų7134.4 Ų34.438%0.3818%0.179SC..Hα-helixtrans-60.7-31.3-179-65.3-16000112.6L220L220-D224 WeakPolarHBondContact CD2-OD2 3.35Å; L220-D224 PolarHBondContact O-N 3.47Å
225N72.3Confident81Confident30 Ų3037.2 Ų37.216%0.1619%0.193CC..Hα-helixtrans-90.6-4-180-74.5-65.2000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.24Å; G116-N225 WeakPolarHBondContact CA-O 3.46Å; S119-N225 PolarHBondContact OG-O 3.25Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.39Å; Y221-N225 PolarHBondContact O-N 3.12Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.3Å; L222-N225 PolarHBondContact O-N 3.36Å; H223-N225 PolarHBondContact O-N 3.41Å
226T67.6Low80.3Confident36 Ų3640.5 Ų40.522%0.22121%0.211CC..  trans-1070-178.455.70000114.8M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.48Å; K120-T226 WeakPolarHBondContact CE-O 3.23Å; K120-T226 VanDerWaalsContact NZ-C 3.35Å; K120-T226 PolarHBondContact NZ-O 3.36Å; K120-T226 PolarHBondContact NZ-OXT 3.47Å; L222-T226 HydrophobicContact CD1-CG2 4.4Å; L222-T226 HydrophobicContact CG-CG2 4.27Å; L222-T226 WeakPolarHBondContact O-CB 3.43Å; L222-T226 WeakPolarHBondContact O-CG2 3.39Å; L222-T226 PolarHBondContact O-N 3.36Å; L222-T226 VanDerWaalsContact O-N 3.1Å; L222-T226 PolarHBondContact O-OG1 3.24Å; H223-T226 PolarHBondContact O-N 3.28Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 2.99Å

Retrieved 226 of 226 residues in 45.5 ms (Link to these results)