A0A023QHY5_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023QHY5, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.8Low73.7Confident205 Ų20598.6 Ų98.6100%1.0153%0.527SS*.  0-34.80-75.3175.1115.100112.9E3 N4M1-E3 PolarHBondContact O-N 3.38Å; M1-N4 PolarHBondContact O-N 3.15Å
2N51.7Low74.5Confident146 Ų14693.7 Ų93.778%0.78150%0.504SS*.THydrogen-bonded Turntrans-61.4-35.1-177.6-8419.2000115.6
3E58Low75.5Confident163 Ų16394 Ų9476%0.76251%0.511SS*.THydrogen-bonded Turntrans-81.7-18-177.5-61.1-146.5156.500114.2M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.38Å; E3-L5 VanDerWaalsContact C-N 3.3Å; E3-L5 PolarHBondContact O-N 3.36Å; E3-F6 PolarHBondContact O-N 3.38Å; E3-A7 PolarHBondContact O-N 3.31Å; E3-A7 VanDerWaalsContact O-N 3.12Å
4N75.1Confident76.4Confident114 Ų11495.4 Ų95.461%0.6152%0.516SS*.THydrogen-bonded Turntrans-70.3-28.7-174.9-66.88.3000112.3M1M1-N4 PolarHBondContact O-N 3.15Å
5L76.4Confident77Confident40 Ų40100.6 Ų100.621%0.20954%0.543CS..THydrogen-bonded Turntrans-71.4-35.6179.2-68.9176000112.4E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.3Å; E3-L5 PolarHBondContact O-N 3.36Å; L5-H172 VanDerWaalsContact CD2-ND1 3.31Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.26Å; L5-L173 HydrophobicContact CD1-CD2 3.97Å; L5-L173 HydrophobicContact CD2-CD2 4.28Å
6F82.6Confident77.5Confident119 Ų11998.8 Ų98.852%0.52256%0.555SS.*THydrogen-bonded Turntrans-93.2-9.9-177.5-67.6-75.5000113.7E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.38Å; F6-S8 PolarHBondContact O-N 3.06Å; F6-S8 VanDerWaalsContact O-N 3.12Å; F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.34Å; F6-F9 PolarHBondContact O-N 3.45Å; F6-L169 HydrophobicContact CD1-CD2 4.39Å; F6-L169 HydrophobicContact CE1-CD1 4.08Å; F6-L169 HydrophobicContact CE1-CD2 4.05Å; F6-L169 HydrophobicContact CZ-CD2 4.47Å
7A80.4Confident77.9Confident54 Ų54100.5 Ų100.545%0.44656%0.562SS.*G310 helixtrans-54.7-32.1179.700000113.2E3 F9 I10E3-A7 PolarHBondContact O-N 3.31Å; E3-A7 VanDerWaalsContact O-N 3.12Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 2.92Å; A7-I10 PolarHBondContact O-N 3.35Å
8S80Confident78.4Confident54 Ų5499.3 Ų99.338%0.37856%0.559SS.*G310 helixtrans-69.4-19.2177.156.90000114.4F6 F92F6-S8 PolarHBondContact O-N 3.06Å; F6-S8 VanDerWaalsContact O-N 3.12Å; S8-F92 WeakPolarHBondContact O-CD2 3.37Å
9F83.1Confident78.8Confident34 Ų3495.1 Ų95.115%0.14954%0.538CS..G310 helixtrans-95.6-9179-57.8-70000113.2F6 A7 A11 T96 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.34Å; F6-F9 PolarHBondContact O-N 3.45Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 2.92Å; F9-A11 PolarHBondContact O-N 3.11Å; F9-T96 HydrophobicContact CD1-CG2 3.86Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; F9-T165 HydrophobicContact CD1-CG2 4.43Å; F9-T165 HydrophobicContact CE1-CG2 4.15Å; F9-H168 HydrophobicContact CE1-CB 4.08Å; F9-H168 HydrophobicContact CZ-CB 3.84Å; F9-L169 HydrophobicContact CE2-CD1 4.45Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.92Å
10I85.2Confident79.2Confident115 Ų11591.1 Ų91.159%0.5952%0.517SS*.SBendtrans-69.8131.5177.5-58.5176.1000108.3A7 P12A7-I10 PolarHBondContact O-N 3.35Å; I10-P12 WeakPolarHBondContact O-CD 3.4Å
11A83.9Confident79.5Confident41 Ų4190.5 Ų90.534%0.33952%0.516SS..PPolyproline II helixtrans-58121.2178.900000109.9F9 T13F9-A11 PolarHBondContact O-N 3.11Å; A11-T13 PolarHBondContact O-N 3.17Å
12P84.2Confident81.1Confident39 Ų3986.8 Ų86.825%0.25350%0.499SS..PPolyproline II helixtrans-71.6124.2-176.926.9-32.8000110.1I10 A19 A20 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.35Å; P12-A19 WeakPolarHBondContact O-CB 3.37Å; P12-A19 PolarHBondContact O-N 2.95Å; P12-A20 PolarHBondContact O-N 3.01Å; P12-I23 HydrophobicContact CG-CD1 3.62Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.1Å
13T87.3Confident82.8Confident98 Ų9882.3 Ų82.360%0.60148%0.475SS*.EExtended strand (participates in β ladder)trans-117.3120.7170.856.10000109.2A11 L17A11-T13 PolarHBondContact O-N 3.17Å; T13-L17 CarbonylContact C-O 3.54Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.43Å
14I87.6Confident84.3Confident113 Ų11377 Ų7758%0.57945%0.451SS*.EExtended strand (participates in β ladder)trans-105123.2175.4-63.4170.3000106.9G16 L17 A19I14-G16 PolarHBondContact O-N 3.05Å; I14-G16 VanDerWaalsContact O-N 3.11Å; I14-L17 PolarHBondContact N-O 2.96Å; I14-L17 PolarHBondContact O-N 3.29Å; I14-A19 HydrophobicContact CD1-CB 3.87Å; I14-A19 HydrophobicContact CG1-CB 3.98Å
15L85.6Confident84.9Confident174 Ų17477.1 Ų77.191%0.91145%0.451SS*.THydrogen-bonded Turntrans54.131178.2-71.1152.6000113.9L17L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 3.46Å
16G84.5Confident85.5Confident72 Ų7279.6 Ų79.674%0.74246%0.46SS*.THydrogen-bonded Turntrans81.6-2.9-177.300000115.3I14I14-G16 PolarHBondContact O-N 3.05Å; I14-G16 VanDerWaalsContact O-N 3.11Å
17L85.4Confident85.8Confident127 Ų12774.1 Ų74.167%0.66544%0.436SS*.EExtended strand (participates in β ladder)trans-93139.5172.7-66.8169.3000111T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.54Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.43Å; I14-L17 PolarHBondContact N-O 2.96Å; I14-L17 PolarHBondContact O-N 3.29Å; L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 3.46Å; L17-A19 PolarHBondContact O-N 3Å
18P85.9Confident86Confident79 Ų7974.9 Ų74.951%0.51344%0.437SS..EExtended strand (participates in β ladder)trans-71.8101.3178.529.3-33.5000110.5A20 V21P18-A20 PolarHBondContact O-N 2.85Å; P18-V21 HydrophobicContact CB-CG2 4.4Å; P18-V21 HydrophobicContact CG-CG2 4.15Å; P18-V21 PolarHBondContact O-N 2.91Å
19A86.4Confident86.4Confident19 Ų1978.9 Ų78.916%0.15745%0.453CS..THydrogen-bonded Turntrans-68-18.1176.700000112.2P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.35Å; P12-A19 WeakPolarHBondContact O-CB 3.37Å; P12-A19 PolarHBondContact O-N 2.95Å; I14-A19 HydrophobicContact CD1-CB 3.87Å; I14-A19 HydrophobicContact CG1-CB 3.98Å; L17-A19 PolarHBondContact O-N 3Å; A19-V21 PolarHBondContact O-N 3.3Å; A19-L22 WeakPolarHBondContact O-CB 2.93Å; A19-L22 PolarHBondContact O-N 3.45Å; A19-L22 VanDerWaalsContact O-N 3.07Å; A19-I23 PolarHBondContact O-N 3.29Å
20A86.2Confident86.7Confident15 Ų1580.9 Ų80.912%0.12447%0.465CS..Hα-helixtrans-53.1-33.9173.100000113.1P12 P18 L22 I23 I24 F92P12-A20 PolarHBondContact O-N 3.01Å; P18-A20 PolarHBondContact O-N 2.85Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.21Å; A20-I23 PolarHBondContact O-N 3.44Å; A20-I24 WeakPolarHBondContact O-CD1 3.5Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.23Å; A20-I24 PolarHBondContact O-N 3.42Å; A20-F92 HydrophobicContact CB-CE1 4.33Å
21V86.3Confident86.8Confident80 Ų8078 Ų7849%0.48545%0.45SS..Hα-helixtrans-63.4-42.2178.5179.60000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.4Å; P18-V21 HydrophobicContact CG-CG2 4.15Å; P18-V21 PolarHBondContact O-N 2.91Å; A19-V21 PolarHBondContact O-N 3.3Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.45Å; V21-I24 PolarHBondContact O-N 3.16Å; V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.26Å; V21-L25 PolarHBondContact O-N 3.08Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86.8Confident87Confident126 Ų12678.8 Ų78.866%0.6645%0.452SS*.Hα-helixtrans-65.8-39178.7-166.8150.5000110.9A19 A20 L25 F26A19-L22 WeakPolarHBondContact O-CB 2.93Å; A19-L22 PolarHBondContact O-N 3.45Å; A19-L22 VanDerWaalsContact O-N 3.07Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.21Å; L22-L25 PolarHBondContact O-N 3.29Å; L22-F26 PolarHBondContact O-N 3.45Å
23I88.4Confident87.1Confident53 Ų5383.6 Ų83.627%0.27248%0.481SS..Hα-helixtrans-65.5-41.2177.2-59.3170.9000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.62Å; A19-I23 PolarHBondContact O-N 3.29Å; A20-I23 PolarHBondContact O-N 3.44Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.45Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.3Å; I23-F26 WeakPolarHBondContact O-CB 3.44Å; I23-F26 PolarHBondContact O-N 2.9Å; I23-P27 VanDerWaalsContact O-CD 3.3Å; I23-P27 WeakPolarHBondContact O-CD 3.45Å; I23-F92 HydrophobicContact CD1-CB 4.03Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.34Å; I23-F92 HydrophobicContact CG2-CD1 4.42Å
24I89Confident87.1Confident50 Ų5080.7 Ų80.726%0.25646%0.464SS..Hα-helixtrans-65.7-32.3176.8-68.9163.6000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 3.5Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.23Å; A20-I24 PolarHBondContact O-N 3.42Å; V21-I24 PolarHBondContact O-N 3.16Å; I24-F26 VanDerWaalsContact C-N 3.33Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; I24-F78 HydrophobicContact CG2-CZ 4.31Å; I24-P94 HydrophobicContact CD1-CB 4.25Å; I24-P94 HydrophobicContact CG1-CB 3.7Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; I24-M100 HydrophobicContact CD1-SD 4.46Å; I24-M100 HydrophobicContact CG2-CE 4.42Å
25L88.1Confident87Confident117 Ų11785.5 Ų85.561%0.61348%0.481SS*.Hα-helixtrans-80.9-11.1178.5-71.9172.3000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.26Å; V21-L25 PolarHBondContact O-N 3.08Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.29Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.3Å; L25-P28 WeakPolarHBondContact O-CD 3.42Å
26F89Confident87.1Confident93 Ų9385.9 Ų85.941%0.40847%0.472SS..Hα-helixtrans-71.2-42.9-176.5-170.2-96.3000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.45Å; I23-F26 WeakPolarHBondContact O-CB 3.44Å; I23-F26 PolarHBondContact O-N 2.9Å; I24-F26 VanDerWaalsContact C-N 3.33Å; F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.05Å; F26-L29 PolarHBondContact O-N 3.07Å; F26-L30 HydrophobicContact CD1-CD1 4.43Å; F26-L30 HydrophobicContact CE1-CD1 4.15Å; F26-L30 HydrophobicContact CE1-CD2 4.26Å; F26-L30 HydrophobicContact CE1-CG 4.28Å; F26-L85 HydrophobicContact CD1-CD2 3.3Å; F26-L85 HydrophobicContact CE1-CD2 3.54Å
27P88.9Confident86.9Confident3 Ų391 Ų912%0.01948%0.481CS..Hα-helixtrans-57.5-41.8-179.3-15.822.4000115.2I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.3Å; I23-P27 WeakPolarHBondContact O-CD 3.45Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; P27-L29 PolarHBondContact O-N 3.25Å; P27-L30 WeakPolarHBondContact O-CB 3.26Å; P27-L30 PolarHBondContact O-N 3.44Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P27-T81 WeakPolarHBondContact CB-OG1 3.45Å; P27-T82 HydrophobicContact CB-CG2 4.32Å; P27-T82 HydrophobicContact CG-CG2 3.57Å
28P85.3Confident86.9Confident71 Ų7192.3 Ų92.346%0.46149%0.487SS..Hα-helixtrans-55.9-32.7173.7-27.133.4000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.42Å; P28-L30 PolarHBondContact O-N 3.34Å; P28-I31 PolarHBondContact O-N 2.87Å
29L88.4Confident87Confident137 Ų13789.7 Ų89.772%0.71747%0.469SS*.Hα-helixtrans-66.8-25179.4-169.468000112.4F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.05Å; F26-L29 PolarHBondContact O-N 3.07Å; P27-L29 PolarHBondContact O-N 3.25Å; L29-I31 PolarHBondContact O-N 2.86Å
30L87.8Confident87.2Confident76 Ų7694.2 Ų94.240%0.39849%0.491SS..THydrogen-bonded Turntrans-75.7-5.3178.8-64.2174.4000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.43Å; F26-L30 HydrophobicContact CE1-CD1 4.15Å; F26-L30 HydrophobicContact CE1-CD2 4.26Å; F26-L30 HydrophobicContact CE1-CG 4.28Å; P27-L30 WeakPolarHBondContact O-CB 3.26Å; P27-L30 PolarHBondContact O-N 3.44Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P28-L30 PolarHBondContact O-N 3.34Å; L30-P32 WeakPolarHBondContact O-CD 3.41Å; L30-Q46 PolarHBondContact O-NE2 3.46Å; L30-Q46 VanDerWaalsContact O-NE2 3.08Å; L30-L85 HydrophobicContact CD1-CD1 3.42Å; L30-L85 VanDerWaalsContact CD1-CD1 3.42Å; L30-L85 HydrophobicContact CD1-CD2 3.86Å; L30-L85 HydrophobicContact CD1-CG 4.14Å
31I88.3Confident87.3Confident54 Ų54103.5 Ų103.528%0.27752%0.522SS..SBendtrans-110.779.1-178.4-53161000108.5P28 L29 I77P28-I31 PolarHBondContact O-N 2.87Å; L29-I31 PolarHBondContact O-N 2.86Å; I31-I77 HydrophobicContact CD1-CG2 3.34Å; I31-I77 HydrophobicContact CG1-CG2 4.43Å
32P87.4Confident87.5Confident59 Ų59103.8 Ų103.838%0.38352%0.521SS..  trans-68.9135.6179.527.7-33.9000111L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.41Å; P32-L42 HydrophobicContact CG-CD2 3.72Å; P32-I43 HydrophobicContact CB-CD1 4.46Å; P32-I43 HydrophobicContact CG-CD1 4.39Å; P32-I43 HydrophobicContact CG-CG1 4.01Å
33T86.8Confident87.8Confident139 Ų13998.7 Ų98.785%0.85349%0.494SS*.  trans-97.1134.7171.159.70000110.3
34S87.6Confident87.9Confident37 Ų3799.1 Ų99.126%0.25950%0.499SS..  trans-113.4145.1170.7170.60000110.9Y36 N39S34-Y36 PolarHBondContact OG-N 2.95Å; S34-Y36 VanDerWaalsContact OG-N 3.08Å; S34-N39 WeakPolarHBondContact CB-OD1 3.49Å; S34-N39 PolarHBondContact OG-OD1 3.15Å
35K85.9Confident88Confident214 Ų214100.9 Ų100.993%0.9351%0.512SS*.  trans-86-13.3173.8-62.7-177.9-178.5178.10113
36Y87.1Confident88.2Confident182 Ų18297.5 Ų97.571%0.71449%0.493SS*.SBendtrans-81.9153.8-175.6-59.6-74.2000112S34 N39S34-Y36 PolarHBondContact OG-N 2.95Å; S34-Y36 VanDerWaalsContact OG-N 3.08Å; Y36-N39 VanDerWaalsContact O-CG 3.31Å; Y36-N39 PolarHBondContact O-ND2 3.38Å; Y36-N39 PolarHBondContact O-OD1 3.41Å
37L79.2Confident88.2Confident179 Ų17997.7 Ų97.794%0.93750%0.495SS*.SBendtrans-73-40.4176.9-170.875.4000111.4
38I85.6Confident88.4Confident155 Ų155105.7 Ų105.780%0.79553%0.525SS*.SBendtrans-100.6112.9174.4-58.2171.2000107.1
39N89.1Confident88.7Confident24 Ų24106.8 Ų106.813%0.12853%0.527CS..  trans-109.4170.1-173.7-72-23.6000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.49Å; S34-N39 PolarHBondContact OG-OD1 3.15Å; Y36-N39 VanDerWaalsContact O-CG 3.31Å; Y36-N39 PolarHBondContact O-ND2 3.38Å; Y36-N39 PolarHBondContact O-OD1 3.41Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.82Å; N39-T44 HydrophobicContact CB-CG2 4.13Å; N39-Q47 PolarHBondContact ND2-NE2 3.47Å
40N89.8Confident88.8Confident115 Ų115103 Ų10362%0.61551%0.507SS*.  trans-63.1152.8171.8-165.50.5000111.2L42 I43 T44N40-L42 PolarHBondContact O-N 2.96Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 PolarHBondContact O-N 3.32Å; N40-T44 PolarHBondContact O-N 2.99Å
41R89.6Confident89Confident209 Ų209106.6 Ų106.679%0.78952%0.519SS*.Hα-helixtrans-51.8-37.9-178.5-64.2-178.2-178.2178.60.5113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.47Å; R41-T44 PolarHBondContact O-N 3.5Å; R41-T44 PolarHBondContact O-OG1 2.98Å; R41-T45 WeakPolarHBondContact O-CG2 3.2Å; R41-T45 PolarHBondContact O-N 3.06Å; R41-T45 PolarHBondContact O-OG1 2.94Å
42L90Very high89.2Confident86 Ų86107.2 Ų107.245%0.4552%0.523SS..Hα-helixtrans-66.3-41.8178.4-174153.4000111.8P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.72Å; N40-L42 PolarHBondContact O-N 2.96Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-OG1 2.99Å; L42-Q46 VanDerWaalsContact CD2-CD 3.45Å; L42-Q46 HydrophobicContact CD2-CG 4.3Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.32Å; L42-Q46 WeakPolarHBondContact O-CB 3.12Å; L42-Q46 VanDerWaalsContact O-CG 3.25Å; L42-Q46 WeakPolarHBondContact O-CG 3.31Å; L42-Q46 PolarHBondContact O-N 3.34Å
43I91.7Very high89.3Confident19 Ų19105.5 Ų105.510%0.09751%0.512CS..Hα-helixtrans-71.5-37179.6-61174.8000110P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.46Å; P32-I43 HydrophobicContact CG-CD1 4.39Å; P32-I43 HydrophobicContact CG-CG1 4.01Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.82Å; N40-I43 PolarHBondContact O-N 3.32Å; I43-Q46 PolarHBondContact O-N 3.16Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.22Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.29Å; I43-Q47 PolarHBondContact O-N 2.97Å
44T91.7Very high89.4Confident63 Ų63100.3 Ų100.339%0.38748%0.481SS..Hα-helixtrans-67.6-40.2177.859.70000112.1N39 N40 R41 W48N39-T44 HydrophobicContact CB-CG2 4.13Å; N40-T44 PolarHBondContact O-N 2.99Å; R41-T44 WeakPolarHBondContact CA-OG1 3.47Å; R41-T44 PolarHBondContact O-N 3.5Å; R41-T44 PolarHBondContact O-OG1 2.98Å; T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.35Å; T44-W48 PolarHBondContact O-N 3.49Å
45T91.3Very high89.5Confident86 Ų86105.7 Ų105.753%0.52850%0.499SS..Hα-helixtrans-67.1-40174.656.70000111.8R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.2Å; R41-T45 PolarHBondContact O-N 3.06Å; R41-T45 PolarHBondContact O-OG1 2.94Å; L42-T45 PolarHBondContact O-OG1 2.99Å; T45-W48 PolarHBondContact O-N 3.26Å; T45-L49 WeakPolarHBondContact O-CB 3.34Å; T45-L49 PolarHBondContact O-N 3.26Å
46Q91Very high89.6Confident46 Ų46101.4 Ų101.422%0.21548%0.483CS..Hα-helixtrans-60.9-49.8173.6-76.2177.3-14.500111.8L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.46Å; L30-Q46 VanDerWaalsContact O-NE2 3.08Å; L42-Q46 VanDerWaalsContact CD2-CD 3.45Å; L42-Q46 HydrophobicContact CD2-CG 4.3Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.32Å; L42-Q46 WeakPolarHBondContact O-CB 3.12Å; L42-Q46 VanDerWaalsContact O-CG 3.25Å; L42-Q46 WeakPolarHBondContact O-CG 3.31Å; L42-Q46 PolarHBondContact O-N 3.34Å; I43-Q46 PolarHBondContact O-N 3.16Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.3Å; Q46-L49 PolarHBondContact O-N 3.17Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.4Å; Q46-I50 PolarHBondContact O-N 2.95Å
47Q90.6Very high89.5Confident97 Ų9793.4 Ų93.445%0.45345%0.452SS..Hα-helixtrans-60.9-38.7177.7-74.4176.4-13.100112.1N39 I43 K51N39-Q47 PolarHBondContact ND2-NE2 3.47Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.22Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.29Å; I43-Q47 PolarHBondContact O-N 2.97Å; Q47-K51 WeakPolarHBondContact O-CB 3.25Å; Q47-K51 PolarHBondContact O-N 3.47Å
48W92.6Very high89.8Confident171 Ų17185.8 Ų85.865%0.64841%0.412SS*.Hα-helixtrans-63.6-44.3175.4-179.482.8000111.9T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.35Å; T44-W48 PolarHBondContact O-N 3.49Å; T45-W48 PolarHBondContact O-N 3.26Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.3Å; W48-K51 PolarHBondContact O-N 2.94Å; W48-L52 HydrophobicContact CD2-CD1 3.77Å; W48-L52 HydrophobicContact CD2-CG 4.4Å; W48-L52 VanDerWaalsContact CE2-CD1 3.5Å; W48-L52 HydrophobicContact CE3-CD1 3.82Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.64Å; W48-L52 WeakPolarHBondContact O-CG 3.33Å; W48-L52 PolarHBondContact O-N 2.83Å
49L91.2Very high89.8Confident94 Ų9482.5 Ų82.549%0.49240%0.399SS..Hα-helixtrans-64.8-42.4177.5-167.9147.8000111.9T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.34Å; T45-L49 PolarHBondContact O-N 3.26Å; Q46-L49 PolarHBondContact O-N 3.17Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 2.96Å; L49-L52 PolarHBondContact O-N 3.27Å; L49-T53 HydrophobicContact CD2-CG2 4.07Å; L49-T53 WeakPolarHBondContact O-CG2 3.29Å; L49-T53 PolarHBondContact O-N 3.43Å; L49-T53 PolarHBondContact O-OG1 3.45Å
50I91.8Very high89.3Confident58 Ų5887.8 Ų87.830%0.29743%0.425SS..Hα-helixtrans-61.6-41.9175-66.6170.1000110.8Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.4Å; Q46-I50 PolarHBondContact O-N 2.95Å; I50-T53 WeakPolarHBondContact CA-OG1 3.4Å; I50-T53 PolarHBondContact O-OG1 3.47Å; I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.47Å; I50-S54 PolarHBondContact O-N 3.11Å; I50-S54 PolarHBondContact O-OG 2.85Å; I50-V73 HydrophobicContact CG2-CG1 3.86Å; I50-I77 HydrophobicContact CD1-CD1 4Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å
51K91.6Very high89Confident151 Ų15182.7 Ų82.766%0.65740%0.397SS*.Hα-helixtrans-65.3-40.4178.4-174.3178.8179.9178.80112.3Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.25Å; Q47-K51 PolarHBondContact O-N 3.47Å; W48-K51 PolarHBondContact O-N 2.94Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 2.96Å; K51-S54 WeakPolarHBondContact CA-OG 3.26Å; K51-S54 PolarHBondContact O-OG 3.25Å; K51-S54 VanDerWaalsContact O-OG 3.06Å; K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 3.36Å; K51-K55 PolarHBondContact O-N 3.2Å; K51-K55 VanDerWaalsContact O-N 3.08Å
52L91.9Very high88.6Confident67 Ų6778.3 Ų78.335%0.35139%0.389SS..Hα-helixtrans-68.1-49.5178.5-74.6178.3000112W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.77Å; W48-L52 HydrophobicContact CD2-CG 4.4Å; W48-L52 VanDerWaalsContact CE2-CD1 3.5Å; W48-L52 HydrophobicContact CE3-CD1 3.82Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.64Å; W48-L52 WeakPolarHBondContact O-CG 3.33Å; W48-L52 PolarHBondContact O-N 2.83Å; L49-L52 PolarHBondContact O-N 3.27Å; L52-K55 PolarHBondContact O-N 3.01Å; L52-Q56 WeakPolarHBondContact O-CG 3.36Å; L52-Q56 PolarHBondContact O-N 3.14Å
53T89Confident88.2Confident24 Ų2479.1 Ų79.115%0.14740%0.398CS..Hα-helixtrans-61-48.5-179.248.80000111.3L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.07Å; L49-T53 WeakPolarHBondContact O-CG2 3.29Å; L49-T53 PolarHBondContact O-N 3.43Å; L49-T53 PolarHBondContact O-OG1 3.45Å; I50-T53 WeakPolarHBondContact CA-OG1 3.4Å; I50-T53 PolarHBondContact O-OG1 3.47Å; T53-K55 PolarHBondContact O-N 3.34Å; T53-Q56 PolarHBondContact O-N 3.25Å; T53-M57 WeakPolarHBondContact O-CG 3.44Å; T53-M57 PolarHBondContact O-N 3.3Å
54S89.7Confident87.6Confident29 Ų2984.1 Ų84.120%0.20342%0.419CS..Hα-helixtrans-59.9-43.3175.457.60000112.7I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.47Å; I50-S54 PolarHBondContact O-N 3.11Å; I50-S54 PolarHBondContact O-OG 2.85Å; K51-S54 WeakPolarHBondContact CA-OG 3.26Å; K51-S54 PolarHBondContact O-OG 3.25Å; K51-S54 VanDerWaalsContact O-OG 3.06Å; S54-Q56 PolarHBondContact O-N 3.47Å; S54-M58 VanDerWaalsContact O-CB 3.23Å; S54-M58 WeakPolarHBondContact O-CB 3.41Å; S54-M58 WeakPolarHBondContact O-CG 3.47Å; S54-M58 PolarHBondContact O-N 2.81Å
55K89.6Confident87.1Confident150 Ų15081.1 Ų81.165%0.65240%0.401SS*.Hα-helixtrans-61.6-44.3177.5-174.8178.9178.4-175.50111.4K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 3.36Å; K51-K55 PolarHBondContact O-N 3.2Å; K51-K55 VanDerWaalsContact O-N 3.08Å; L52-K55 PolarHBondContact O-N 3.01Å; T53-K55 PolarHBondContact O-N 3.34Å; K55-T59 WeakPolarHBondContact O-CG2 3.02Å; K55-T59 PolarHBondContact O-N 3.41Å
56Q87.3Confident86.7Confident124 Ų12483.5 Ų83.558%0.57940%0.4SS*.Hα-helixtrans-69.7-39.8-178.7-74.6179.7-26.400113L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.36Å; L52-Q56 PolarHBondContact O-N 3.14Å; T53-Q56 PolarHBondContact O-N 3.25Å; S54-Q56 PolarHBondContact O-N 3.47Å; Q56-T59 PolarHBondContact O-OG1 3.07Å
57M85.4Confident86.5Confident15 Ų1586.2 Ų86.27%0.07442%0.42CS..Hα-helixtrans-73.4-35.8179.2-69.8-172.417400112.7T53 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.44Å; T53-M57 PolarHBondContact O-N 3.3Å; M57-T59 PolarHBondContact O-N 3.3Å; M57-H61 PolarHBondContact O-ND1 3.12Å; M57-L72 HydrophobicContact SD-CB 4.5Å; M57-I76 HydrophobicContact CE-CB 4.45Å; M57-I76 HydrophobicContact CE-CD1 3.55Å; M57-Y212 HydrophobicContact CE-CD2 4.27Å; M57-Y212 HydrophobicContact CE-CE2 4.41Å; M57-T215 WeakPolarHBondContact CE-OG1 3.36Å
58M85.8Confident86.4Confident18 Ų1884 Ų849%0.08941%0.407CS..Hα-helixtrans-83.2-8.8-174.1-64.8-60.9110.400114.2S54 M60 H61 R66 L72S54-M58 VanDerWaalsContact O-CB 3.23Å; S54-M58 WeakPolarHBondContact O-CB 3.41Å; S54-M58 WeakPolarHBondContact O-CG 3.47Å; S54-M58 PolarHBondContact O-N 2.81Å; M58-M60 VanDerWaalsContact C-N 3.25Å; M58-M60 PolarHBondContact O-N 3.11Å; M58-H61 PolarHBondContact O-N 2.78Å; M58-R66 HydrophobicContact SD-CB 4.41Å; M58-R66 HydrophobicContact SD-CG 4.12Å; M58-L72 HydrophobicContact CE-CD1 3.69Å
59T85.3Confident86.2Confident86 Ų8677.5 Ų77.553%0.52839%0.388SS..THydrogen-bonded Turntrans-62.9-34.5174.652.50000112.1K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.02Å; K55-T59 PolarHBondContact O-N 3.41Å; Q56-T59 PolarHBondContact O-OG1 3.07Å; M57-T59 PolarHBondContact O-N 3.3Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.15Å
60M78.6Confident86.2Confident135 Ų13580 Ų8067%0.66540%0.401SS*.THydrogen-bonded Turntrans-78.9-12.5-179.2-59.3-62.8151.500113.1M58 H223M58-M60 VanDerWaalsContact C-N 3.25Å; M58-M60 PolarHBondContact O-N 3.11Å; M60-H223 PolarHBondContact O-CE1 3.09Å; M60-H223 PolarHBondContact O-ND1 2.99Å
61H83.6Confident86.2Confident8 Ų880.2 Ų80.24%0.03740%0.402CS..  trans-106.2139-168.9-71.279000113.5M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.12Å; M58-H61 PolarHBondContact O-N 2.78Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.15Å; H61-R66 HydrophobicContact CB-CG 4.3Å; H61-R66 PolarHBondContact O-NE 3.23Å; H61-S219 PolarHBondContact CE1-O 3.37Å; H61-S219 PolarHBondContact NE2-O 3.18Å
62N81.4Confident86.1Confident117 Ų11773.1 Ų73.163%0.62637%0.371SS*.  trans-75.4172.6170.4-154.7-4.2000111.5K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.09Å; N62-K64 VanDerWaalsContact O-N 3.16Å; N62-G65 PolarHBondContact O-N 3.22Å; N62-R66 WeakPolarHBondContact O-CG 3.17Å; N62-R66 PolarHBondContact O-N 3.34Å
63T81.1Confident86.1Confident103 Ų10370.7 Ų70.763%0.63236%0.359SS*.THydrogen-bonded Turntrans-53.7-38.7-173.455.30000114.3
64K80Confident86.2Confident125 Ų12572.7 Ų72.754%0.54337%0.374SS..THydrogen-bonded Turntrans-67-45.5175.3-69.9-177.8-178.4175.40112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.09Å; N62-K64 VanDerWaalsContact O-N 3.16Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 2.92Å; K64-T67 WeakPolarHBondContact O-CB 3.38Å; K64-T67 PolarHBondContact O-N 3.02Å; K64-T67 PolarHBondContact O-OG1 3.44Å
65G79.5Confident86.3Confident0 Ų072.1 Ų72.10%037%0.369CS..G310 helixtrans-64-31.7177.500000112.8N62 T67 W68N62-G65 PolarHBondContact O-N 3.22Å; G65-T67 PolarHBondContact O-N 3.2Å; G65-T67 VanDerWaalsContact O-N 3.14Å; G65-W68 PolarHBondContact O-N 2.93Å
66R84.4Confident86.4Confident135 Ų13565.8 Ų65.851%0.50934%0.341SS..G310 helixtrans-62.6-19.5175.7-70.8-179.8-175.2-174.30.3114.2M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact SD-CB 4.41Å; M58-R66 HydrophobicContact SD-CG 4.12Å; H61-R66 HydrophobicContact CB-CG 4.3Å; H61-R66 PolarHBondContact O-NE 3.23Å; N62-R66 WeakPolarHBondContact O-CG 3.17Å; N62-R66 PolarHBondContact O-N 3.34Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 2.92Å; R66-W68 PolarHBondContact O-N 3.11Å; R66-S69 WeakPolarHBondContact O-CB 3.43Å; R66-S69 PolarHBondContact O-N 3.46Å; R66-S69 VanDerWaalsContact O-N 3.13Å
67T86.9Confident86.6Confident103 Ų10361.3 Ų61.363%0.63232%0.321SS*.G310 helixtrans-64.3-24.7174.162.50000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.38Å; K64-T67 PolarHBondContact O-N 3.02Å; K64-T67 PolarHBondContact O-OG1 3.44Å; G65-T67 PolarHBondContact O-N 3.2Å; G65-T67 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 2.73Å
68W87.1Confident86.9Confident50 Ų5062.9 Ų62.919%0.18933%0.328CS..G310 helixtrans-86.41.1177.6-72.448.2000113.4G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 2.93Å; R66-W68 PolarHBondContact O-N 3.11Å; W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 2.94Å; W68-M71 HydrophobicContact CD2-CE 3.88Å; W68-M71 HydrophobicContact CE3-CE 3.02Å; W68-M71 HydrophobicContact CH2-CE 4.17Å; W68-M71 HydrophobicContact CZ3-CE 3.21Å; W68-M71 PolarHBondContact O-N 3.37Å; W68-M71 VanDerWaalsContact O-N 3.1Å; W68-L72 PolarHBondContact O-N 3.42Å; W68-M115 HydrophobicContact CZ2-SD 3.8Å; W68-M115 PolarHBondContact NE1-SD 3.21Å; W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.59Å; W68-L222 HydrophobicContact CD2-CD2 3.95Å; W68-L222 HydrophobicContact CD2-CG 4.43Å; W68-L222 HydrophobicContact CE3-CD1 3.65Å; W68-L222 HydrophobicContact CE3-CD2 4.12Å; W68-L222 HydrophobicContact CE3-CG 4.45Å; W68-L222 HydrophobicContact CG-CD1 4.02Å; W68-L222 HydrophobicContact CG-CD2 3.62Å; W68-L222 HydrophobicContact CG-CG 4.49Å; W68-L222 HydrophobicContact CZ2-CD1 4.39Å; W68-L222 HydrophobicContact CZ3-CD1 4.12Å
69S88.2Confident87.2Confident35 Ų3562 Ų6225%0.24532%0.324CS..Hα-helixtrans-46.9-51.8177.7164.10000112.6R66 T67 M71 L72 V73R66-S69 WeakPolarHBondContact O-CB 3.43Å; R66-S69 PolarHBondContact O-N 3.46Å; R66-S69 VanDerWaalsContact O-N 3.13Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 2.73Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.49Å; S69-L72 PolarHBondContact O-N 3.13Å; S69-V73 WeakPolarHBondContact O-CB 3.3Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.39Å; S69-V73 PolarHBondContact O-N 3.35Å
70L91.3Very high87.5Confident146 Ų14658.9 Ų58.976%0.76431%0.306SS*.Hα-helixtrans-58.7-43.7-177.4-169.395.5000111.3W68 S74W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 2.94Å; L70-S74 WeakPolarHBondContact O-CB 3.37Å; L70-S74 PolarHBondContact O-N 3.29Å; L70-S74 PolarHBondContact O-OG 3.5Å
71M91.4Very high88.1Confident63 Ų6353.8 Ų53.831%0.3128%0.283SS..Hα-helixtrans-67-48.2-177.9-169178.667.700111.1W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.88Å; W68-M71 HydrophobicContact CE3-CE 3.02Å; W68-M71 HydrophobicContact CH2-CE 4.17Å; W68-M71 HydrophobicContact CZ3-CE 3.21Å; W68-M71 PolarHBondContact O-N 3.37Å; W68-M71 VanDerWaalsContact O-N 3.1Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.49Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 3.07Å; M71-S74 PolarHBondContact O-N 3.05Å; M71-S74 PolarHBondContact O-OG 3.14Å; M71-L75 VanDerWaalsContact O-CB 3.3Å; M71-L75 WeakPolarHBondContact O-CB 3.49Å; M71-L75 PolarHBondContact O-N 3.19Å; M71-L108 HydrophobicContact CE-CD2 3.37Å; M71-L108 HydrophobicContact CG-CD2 4.17Å; M71-L108 HydrophobicContact SD-CD2 3.47Å; M71-L108 WeakPolarHBondContact SD-CD2 3.25Å
72L90.8Very high88.4Confident2 Ų253.6 Ų53.61%0.0128%0.282CS..Hα-helixtrans-60.9-41.2178.8-70169.4000112.2M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.5Å; M58-L72 HydrophobicContact CE-CD1 3.69Å; W68-L72 PolarHBondContact O-N 3.42Å; S69-L72 PolarHBondContact O-N 3.13Å; L72-L75 PolarHBondContact O-N 2.89Å; L72-I76 PolarHBondContact O-N 2.87Å; L72-V218 HydrophobicContact CD2-CB 4.23Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å
73V91.8Very high88.9Confident16 Ų1648.1 Ų48.110%0.09725%0.253CS..Hα-helixtrans-67.4-43.8176.9172.50000111.1I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.86Å; S69-V73 WeakPolarHBondContact O-CB 3.3Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.39Å; S69-V73 PolarHBondContact O-N 3.35Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 3.07Å; V73-L75 PolarHBondContact O-N 3.41Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.32Å; V73-I77 HydrophobicContact CG1-CD1 3.74Å; V73-I77 VanDerWaalsContact O-CD1 3.29Å; V73-I77 WeakPolarHBondContact O-CD1 3.46Å; V73-I77 WeakPolarHBondContact O-CG1 3.2Å; V73-I77 PolarHBondContact O-N 3.49Å
74S91.8Very high89.3Confident67 Ų6746.9 Ų46.947%0.46924%0.242SC..Hα-helixtrans-61.9-37.4176.270.50000111.9L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.37Å; L70-S74 PolarHBondContact O-N 3.29Å; L70-S74 PolarHBondContact O-OG 3.5Å; M71-S74 PolarHBondContact O-N 3.05Å; M71-S74 PolarHBondContact O-OG 3.14Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.21Å; S74-F78 PolarHBondContact O-N 2.64Å
75L91.4Very high89.8Confident17 Ų1742.8 Ų42.89%0.08923%0.226CC..Hα-helixtrans-68.3-48.2-178.6-169.893.2000112.1M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.3Å; M71-L75 WeakPolarHBondContact O-CB 3.49Å; M71-L75 PolarHBondContact O-N 3.19Å; L72-L75 PolarHBondContact O-N 2.89Å; V73-L75 PolarHBondContact O-N 3.41Å; L75-I77 VanDerWaalsContact C-N 3.28Å; L75-I77 PolarHBondContact O-N 2.95Å; L75-F78 PolarHBondContact O-N 3.11Å; L75-I79 HydrophobicContact CD1-CD1 4.4Å; L75-I79 HydrophobicContact CD2-CD1 4.07Å; L75-I79 HydrophobicContact CG-CD1 3.86Å; L75-I79 WeakPolarHBondContact O-CG1 3.4Å; L75-I79 PolarHBondContact O-N 3.27Å; L75-L108 HydrophobicContact CD1-CD1 3.42Å; L75-L108 VanDerWaalsContact CD1-CD1 3.42Å; L75-L108 HydrophobicContact CD2-CD1 3.97Å; L75-L108 HydrophobicContact CG-CD1 4.34Å; L75-F214 HydrophobicContact CD1-CE1 4.45Å; L75-F214 HydrophobicContact CD2-CD1 3.58Å; L75-F214 HydrophobicContact CD2-CE1 3.5Å; L75-F214 VanDerWaalsContact CD2-CE1 3.5Å; L75-F214 HydrophobicContact CG-CE1 4.37Å; L75-T215 HydrophobicContact CB-CG2 4.27Å; L75-T215 HydrophobicContact CD2-CG2 3.43Å; L75-T215 VanDerWaalsContact CD2-CG2 3.43Å; L75-T215 HydrophobicContact CG-CG2 4.1Å
76I91.8Very high90.1Very high16 Ų1642.9 Ų42.98%0.08223%0.226CC..Hα-helixtrans-62.2-40.8179.8-170.7167.6000110.8M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.45Å; M57-I76 HydrophobicContact CE-CD1 3.55Å; L72-I76 PolarHBondContact O-N 2.87Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.32Å; I76-A80 WeakPolarHBondContact O-CB 3.45Å; I76-A80 PolarHBondContact O-N 3Å; I76-A211 HydrophobicContact CG1-CB 4.45Å; I76-Y212 HydrophobicContact CD1-CD2 4.14Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.47Å; I76-T215 VanDerWaalsContact CB-CG2 3.47Å; I76-T215 HydrophobicContact CG1-CG2 4.09Å
77I91.8Very high90.3Very high31 Ų3138.2 Ų38.216%0.15921%0.212CC..Hα-helixtrans-67-43.6179-63.4165.4000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.34Å; I31-I77 HydrophobicContact CG1-CG2 4.43Å; I50-I77 HydrophobicContact CD1-CD1 4Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å; V73-I77 HydrophobicContact CG1-CD1 3.74Å; V73-I77 VanDerWaalsContact O-CD1 3.29Å; V73-I77 WeakPolarHBondContact O-CD1 3.46Å; V73-I77 WeakPolarHBondContact O-CG1 3.2Å; V73-I77 PolarHBondContact O-N 3.49Å; L75-I77 VanDerWaalsContact C-N 3.28Å; L75-I77 PolarHBondContact O-N 2.95Å; I77-T81 HydrophobicContact CG2-CG2 4.31Å; I77-T81 WeakPolarHBondContact O-CB 3.28Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.17Å; I77-T81 PolarHBondContact O-N 3.23Å; I77-T81 PolarHBondContact O-OG1 2.95Å
78F91.4Very high90.3Very high47 Ų4738.1 Ų38.121%0.20621%0.207CC..Hα-helixtrans-60-53.6178179.7-104.5000111.6I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.31Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.21Å; S74-F78 PolarHBondContact O-N 2.64Å; L75-F78 PolarHBondContact O-N 3.11Å; F78-A80 PolarHBondContact O-N 3.28Å; F78-T81 PolarHBondContact O-N 3.41Å; F78-T81 PolarHBondContact O-OG1 3.04Å; F78-T82 HydrophobicContact CD2-CG2 4.35Å; F78-T82 HydrophobicContact CE1-CG2 4.23Å; F78-T82 HydrophobicContact CE2-CG2 3.96Å; F78-T82 HydrophobicContact CZ-CG2 3.9Å; F78-T82 WeakPolarHBondContact O-CG2 3.26Å; F78-T82 PolarHBondContact O-N 3.37Å; F78-T82 PolarHBondContact O-OG1 3.43Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; F78-M100 HydrophobicContact CE1-CE 3.8Å; F78-M100 HydrophobicContact CZ-CE 3.81Å; F78-M104 HydrophobicContact CD1-SD 3.91Å; F78-M104 HydrophobicContact CE1-CE 4.13Å; F78-M104 HydrophobicContact CE1-SD 3.68Å
79I91.6Very high90.1Very high1 Ų141.1 Ų41.11%0.00523%0.232CC..Hα-helixtrans-64.8-43-178-61.8170.5000111L75 T81 T82 N83 M104 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.4Å; L75-I79 HydrophobicContact CD2-CD1 4.07Å; L75-I79 HydrophobicContact CG-CD1 3.86Å; L75-I79 WeakPolarHBondContact O-CG1 3.4Å; L75-I79 PolarHBondContact O-N 3.27Å; I79-T81 PolarHBondContact O-N 3.37Å; I79-T82 WeakPolarHBondContact CA-OG1 3.47Å; I79-T82 PolarHBondContact O-OG1 2.97Å; I79-N83 WeakPolarHBondContact O-CB 3.46Å; I79-N83 PolarHBondContact O-N 3.34Å; I79-N83 PolarHBondContact O-ND2 3.22Å; I79-N83 PolarHBondContact O-OD1 2.97Å; I79-M104 HydrophobicContact CG1-SD 4.35Å; I79-L160 HydrophobicContact CG2-CD1 3.64Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.72Å; I79-F214 HydrophobicContact CD1-CB 4.35Å; I79-F214 HydrophobicContact CD1-CD1 3.52Å; I79-F214 HydrophobicContact CD1-CD2 4.38Å; I79-F214 HydrophobicContact CD1-CE1 3.82Å; I79-F214 HydrophobicContact CD1-CG 3.84Å; I79-F214 HydrophobicContact CD1-CZ 4.36Å
80A90.9Very high89.8Confident19 Ų1949.1 Ų49.116%0.15727%0.266CS..Hα-helixtrans-62.6-44.3179.600000111.5I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.45Å; I76-A80 PolarHBondContact O-N 3Å; F78-A80 PolarHBondContact O-N 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.3Å; A80-L84 PolarHBondContact O-N 3.08Å; A80-A211 HydrophobicContact CB-CB 3.92Å
81T91.4Very high89.5Confident29 Ų2944 Ų4418%0.17824%0.242CC..Hα-helixtrans-68.7-44.1179.353.40000111.9P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.45Å; I77-T81 HydrophobicContact CG2-CG2 4.31Å; I77-T81 WeakPolarHBondContact O-CB 3.28Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.17Å; I77-T81 PolarHBondContact O-N 3.23Å; I77-T81 PolarHBondContact O-OG1 2.95Å; F78-T81 PolarHBondContact O-N 3.41Å; F78-T81 PolarHBondContact O-OG1 3.04Å; I79-T81 PolarHBondContact O-N 3.37Å; T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 3.02Å; T81-L84 PolarHBondContact O-N 3.16Å; T81-L85 WeakPolarHBondContact O-CB 3.43Å; T81-L85 WeakPolarHBondContact O-CD1 3.3Å; T81-L85 PolarHBondContact O-N 3.17Å
82T91.2Very high89.1Confident4 Ų442.1 Ų42.13%0.02523%0.232CC..Hα-helixtrans-60.6-39.6176.351.80000112.6P27 F78 I79 G86 P94 T95P27-T82 HydrophobicContact CB-CG2 4.32Å; P27-T82 HydrophobicContact CG-CG2 3.57Å; F78-T82 HydrophobicContact CD2-CG2 4.35Å; F78-T82 HydrophobicContact CE1-CG2 4.23Å; F78-T82 HydrophobicContact CE2-CG2 3.96Å; F78-T82 HydrophobicContact CZ-CG2 3.9Å; F78-T82 WeakPolarHBondContact O-CG2 3.26Å; F78-T82 PolarHBondContact O-N 3.37Å; F78-T82 PolarHBondContact O-OG1 3.43Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; I79-T82 WeakPolarHBondContact CA-OG1 3.47Å; I79-T82 PolarHBondContact O-OG1 2.97Å; T82-G86 PolarHBondContact O-N 3.36Å; T82-G86 VanDerWaalsContact O-N 3.1Å; T82-P94 HydrophobicContact CG2-CG 4.45Å; T82-T95 WeakPolarHBondContact OG1-CG2 3.26Å
83N91.4Very high88.8Confident2 Ų242.2 Ų42.21%0.01123%0.233CC..Hα-helixtrans-72.8-42.1-179.2-66.1-9.1000111.6I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact O-CB 3.46Å; I79-N83 PolarHBondContact O-N 3.34Å; I79-N83 PolarHBondContact O-ND2 3.22Å; I79-N83 PolarHBondContact O-OD1 2.97Å; T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 3.02Å; N83-G86 WeakPolarHBondContact O-CA 3.08Å; N83-G86 PolarHBondContact O-N 3.15Å; N83-G86 VanDerWaalsContact O-N 3.15Å; N83-L87 PolarHBondContact O-N 2.91Å; N83-T95 WeakPolarHBondContact OD1-CB 3.5Å; N83-T95 VanDerWaalsContact OD1-CG2 3.31Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.49Å; N83-T95 PolarHBondContact OD1-OG1 2.94Å; N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.41Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.41Å; N83-A207 HydrophobicContact CB-CB 3.89Å
84L90.1Very high88.4Confident76 Ų7641.8 Ų41.840%0.39823%0.23SC..Hα-helixtrans-64.1-43.7176.7-90.5157.6000112.3A80 T81 G86 L87 I204A80-L84 WeakPolarHBondContact O-CB 3.3Å; A80-L84 PolarHBondContact O-N 3.08Å; T81-L84 PolarHBondContact O-N 3.16Å; L84-G86 PolarHBondContact O-N 2.89Å; L84-L87 PolarHBondContact O-N 3.47Å; L84-I204 HydrophobicContact CD2-CG2 4.28Å
85L90.1Very high88.2Confident40 Ų4038.7 Ų38.721%0.20921%0.208CC..Hα-helixtrans-61.7-32.5174.3-9383.4000111.7F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.3Å; F26-L85 HydrophobicContact CE1-CD2 3.54Å; L30-L85 HydrophobicContact CD1-CD1 3.42Å; L30-L85 VanDerWaalsContact CD1-CD1 3.42Å; L30-L85 HydrophobicContact CD1-CD2 3.86Å; L30-L85 HydrophobicContact CD1-CG 4.14Å; T81-L85 WeakPolarHBondContact O-CB 3.43Å; T81-L85 WeakPolarHBondContact O-CD1 3.3Å; T81-L85 PolarHBondContact O-N 3.17Å; L85-L87 VanDerWaalsContact C-N 3.25Å; L85-L87 PolarHBondContact O-N 2.83Å; L85-L88 VanDerWaalsContact O-CB 3.26Å; L85-L88 WeakPolarHBondContact O-CB 3.42Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.5Å; L85-L88 PolarHBondContact O-N 3.38Å; L85-S91 PolarHBondContact O-OG 3.07Å
86G86.1Confident87.9Confident1 Ų138.4 Ų38.41%0.0121%0.207CC..Hα-helixtrans-58.9-31.917700000116.6T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.36Å; T82-G86 VanDerWaalsContact O-N 3.1Å; N83-G86 WeakPolarHBondContact O-CA 3.08Å; N83-G86 PolarHBondContact O-N 3.15Å; N83-G86 VanDerWaalsContact O-N 3.15Å; L84-G86 PolarHBondContact O-N 2.89Å; G86-L88 PolarHBondContact O-N 2.97Å; G86-S91 VanDerWaalsContact C-OG 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.04Å; G86-S91 PolarHBondContact O-OG 3.04Å; G86-H168 PolarHBondContact O-CE1 3.34Å; G86-H168 PolarHBondContact O-NE2 3.17Å; G86-H168 VanDerWaalsContact O-NE2 3.08Å
87L86.9Confident87.8Confident38 Ų3840.5 Ų40.520%0.19922%0.217CC..THydrogen-bonded Turntrans-75.8-6.9-179.6-60.4174.8000112.6N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 2.91Å; L84-L87 PolarHBondContact O-N 3.47Å; L85-L87 VanDerWaalsContact C-N 3.25Å; L85-L87 PolarHBondContact O-N 2.83Å; L87-M171 HydrophobicContact CD2-CE 3.96Å; L87-E203 HydrophobicContact CD1-CG 4.46Å; L87-E203 HydrophobicContact CD2-CB 4.13Å; L87-E203 HydrophobicContact CD2-CG 3.38Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.6Å; L87-A207 HydrophobicContact CD1-CB 4.13Å
88L87.8Confident87.6Confident101 Ų10142.4 Ų42.453%0.52923%0.227SC..SBendtrans-67.1143.5174.5-64.8173000110.5L85 G86 H90 S91L85-L88 VanDerWaalsContact O-CB 3.26Å; L85-L88 WeakPolarHBondContact O-CB 3.42Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.5Å; L85-L88 PolarHBondContact O-N 3.38Å; G86-L88 PolarHBondContact O-N 2.97Å; L88-H90 PolarHBondContact O-N 3.29Å; L88-S91 WeakPolarHBondContact O-CB 3.38Å; L88-S91 PolarHBondContact O-N 3.26Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 2.89Å
89P82.3Confident87.5Confident112 Ų11243.9 Ų43.973%0.72724%0.243SC*.THydrogen-bonded Turntrans-58.9135.1-178.925-34.1000110.8S91P89-S91 PolarHBondContact O-N 3.17Å; P89-S91 VanDerWaalsContact O-N 3.11Å
90H82.5Confident87.3Confident204 Ų20445.8 Ų45.894%0.94425%0.252SS*.THydrogen-bonded Turntrans57.517.3-179-56.9-65.4000115.8L88L88-H90 PolarHBondContact O-N 3.29Å
91S84.5Confident87.2Confident37 Ų3744.9 Ų44.926%0.25925%0.245SC..  trans-82143172.572.20000111.3L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.07Å; G86-S91 VanDerWaalsContact C-OG 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.04Å; G86-S91 PolarHBondContact O-OG 3.04Å; L88-S91 WeakPolarHBondContact O-CB 3.38Å; L88-S91 PolarHBondContact O-N 3.26Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 2.89Å; P89-S91 PolarHBondContact O-N 3.17Å; P89-S91 VanDerWaalsContact O-N 3.11Å
92F83.1Confident87Confident24 Ų2445.4 Ų45.411%0.10525%0.246CC..  trans-90.4124.4172.1171-94.7000109.3S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.37Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.1Å; A20-F92 HydrophobicContact CB-CE1 4.33Å; I23-F92 HydrophobicContact CD1-CB 4.03Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.34Å; I23-F92 HydrophobicContact CG2-CD1 4.42Å; F92-P94 HydrophobicContact CE1-CB 4.39Å; F92-P94 WeakPolarHBondContact O-CD 3.36Å; F92-Q97 HydrophobicContact CZ-CG 4.23Å
93T84.9Confident86.9Confident4 Ų448.2 Ų48.23%0.02527%0.27CS..  trans-93.9111.3177.929.80000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.26Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T93-T96 PolarHBondContact O-N 3.34Å; T93-T96 PolarHBondContact O-OG1 3.46Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.41Å; T93-I164 HydrophobicContact CG2-CG2 4.35Å
94P83.9Confident86.7Confident8 Ų849.2 Ų49.25%0.05228%0.275CS..G310 helixtrans-63.3-24.517725.8-33.4000112.5I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.25Å; I24-P94 HydrophobicContact CG1-CB 3.7Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; T82-P94 HydrophobicContact CG2-CG 4.45Å; F92-P94 HydrophobicContact CE1-CB 4.39Å; F92-P94 WeakPolarHBondContact O-CD 3.36Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.49Å; P94-Q97 PolarHBondContact O-N 3.33Å; P94-M100 WeakPolarHBondContact O-CB 3.49Å
95T86.5Confident86.6Confident1 Ų145.7 Ų45.71%0.00626%0.257CS..G310 helixtrans-74.9-8.3179.549.90000114.8T82 N83 T93 Q97 N101 M104 L160 I164T82-T95 WeakPolarHBondContact OG1-CG2 3.26Å; N83-T95 WeakPolarHBondContact OD1-CB 3.5Å; N83-T95 VanDerWaalsContact OD1-CG2 3.31Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.49Å; N83-T95 PolarHBondContact OD1-OG1 2.94Å; T93-T95 PolarHBondContact O-N 3.26Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T95-Q97 VanDerWaalsContact C-N 3.31Å; T95-N101 PolarHBondContact O-ND2 3.4Å; T95-M104 HydrophobicContact CG2-CE 4.46Å; T95-L160 HydrophobicContact CG2-CD2 3.97Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.36Å
96T86.4Confident86.5Confident11 Ų1147.8 Ų47.87%0.06727%0.268CS..G310 helixtrans-74.3-25.9169.756.60000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.86Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; T93-T96 PolarHBondContact O-N 3.34Å; T93-T96 PolarHBondContact O-OG1 3.46Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.41Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.49Å; T96-L98 PolarHBondContact O-N 3.47Å; T96-T161 WeakPolarHBondContact O-CG2 3.37Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.64Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å
97Q89.4Confident86.6Confident60 Ų6051.5 Ų51.528%0.2829%0.292SS..SBendtrans-79123177.8-62.3-166.3-24.600110.2F92 P94 T95 S99 M100 N101F92-Q97 HydrophobicContact CZ-CG 4.23Å; P94-Q97 PolarHBondContact O-N 3.33Å; T95-Q97 VanDerWaalsContact C-N 3.31Å; Q97-S99 PolarHBondContact O-N 3.08Å; Q97-M100 PolarHBondContact O-N 3.43Å; Q97-M100 VanDerWaalsContact O-N 3.13Å; Q97-N101 PolarHBondContact O-N 2.94Å
98L87.4Confident86.7Confident72 Ų7250.7 Ų50.738%0.37729%0.287SS..Hα-helixtrans-58.2-33.3178.4-176.163.8000112.3T96 M100 N101 L102 M154 V158 T161T96-L98 PolarHBondContact O-N 3.47Å; L98-M100 VanDerWaalsContact C-N 3.35Å; L98-M100 PolarHBondContact O-N 3.12Å; L98-N101 PolarHBondContact O-N 3.46Å; L98-L102 HydrophobicContact CD1-CD1 3.42Å; L98-L102 VanDerWaalsContact CD1-CD1 3.42Å; L98-L102 HydrophobicContact CG-CD1 3.72Å; L98-L102 WeakPolarHBondContact O-CB 3.45Å; L98-L102 PolarHBondContact O-N 3.16Å; L98-M154 HydrophobicContact CD2-CE 4.12Å; L98-V158 HydrophobicContact CD1-CG2 3.86Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.06Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å
99S88.4Confident86.7Confident78 Ų7847.8 Ų47.855%0.54527%0.269SS..Hα-helixtrans-55.9-46175.9530000112.5Q97 A103Q97-S99 PolarHBondContact O-N 3.08Å; S99-A103 VanDerWaalsContact O-CB 3.26Å; S99-A103 WeakPolarHBondContact O-CB 3.09Å; S99-A103 PolarHBondContact O-N 3.28Å
100M88.3Confident86.8Confident40 Ų4043.7 Ų43.720%0.19725%0.245CC..Hα-helixtrans-66.4-44.2-178.2-175.662.3-172.500111.2I24 F78 P94 Q97 L98 A103 M104I24-M100 HydrophobicContact CD1-SD 4.46Å; I24-M100 HydrophobicContact CG2-CE 4.42Å; F78-M100 HydrophobicContact CE1-CE 3.8Å; F78-M100 HydrophobicContact CZ-CE 3.81Å; P94-M100 WeakPolarHBondContact O-CB 3.49Å; Q97-M100 PolarHBondContact O-N 3.43Å; Q97-M100 VanDerWaalsContact O-N 3.13Å; L98-M100 VanDerWaalsContact C-N 3.35Å; L98-M100 PolarHBondContact O-N 3.12Å; M100-A103 PolarHBondContact O-N 2.74Å; M100-M104 HydrophobicContact CE-CE 3.83Å; M100-M104 HydrophobicContact CE-CG 4.37Å; M100-M104 HydrophobicContact CE-SD 4.23Å; M100-M104 HydrophobicContact CG-CE 3.67Å; M100-M104 PolarHBondContact O-N 3.3Å; M100-M104 VanDerWaalsContact O-N 3.07Å; M100-M104 HydrophobicContact SD-CE 4.44Å
101N88.5Confident87Confident1 Ų135.1 Ų35.11%0.00521%0.212CC..Hα-helixtrans-70.3-37.1-179-65.3-9.8000112.1T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.4Å; Q97-N101 PolarHBondContact O-N 2.94Å; L98-N101 PolarHBondContact O-N 3.46Å; N101-M104 PolarHBondContact O-N 3.38Å; N101-A105 VanDerWaalsContact O-CB 3.28Å; N101-A105 WeakPolarHBondContact O-CB 3.26Å; N101-A105 PolarHBondContact O-N 2.92Å; N101-A157 HydrophobicContact CB-CB 3.78Å; N101-A157 PolarHBondContact ND2-O 2.69Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.35Å; N101-T161 HydrophobicContact CB-CG2 4.33Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.35Å; N101-T161 PolarHBondContact ND2-N 3.18Å
102L86.9Confident87Confident39 Ų3933.4 Ų33.420%0.20420%0.2CC..Hα-helixtrans-64.8-42.7172.8-104.475000111.3L98 M104 A105 I106 M154 A157L98-L102 HydrophobicContact CD1-CD1 3.42Å; L98-L102 VanDerWaalsContact CD1-CD1 3.42Å; L98-L102 HydrophobicContact CG-CD1 3.72Å; L98-L102 WeakPolarHBondContact O-CB 3.45Å; L98-L102 PolarHBondContact O-N 3.16Å; L102-M104 PolarHBondContact O-N 3.27Å; L102-A105 PolarHBondContact O-N 3.36Å; L102-I106 HydrophobicContact CB-CD1 4.11Å; L102-I106 HydrophobicContact CD2-CD1 3.98Å; L102-I106 HydrophobicContact CG-CD1 3.98Å; L102-I106 WeakPolarHBondContact O-CB 3.38Å; L102-I106 WeakPolarHBondContact O-CG1 3.16Å; L102-I106 PolarHBondContact O-N 3.29Å; L102-M154 HydrophobicContact CD1-CE 3.8Å; L102-M154 HydrophobicContact CD1-SD 3.6Å; L102-M154 HydrophobicContact CD2-CE 4.1Å; L102-M154 HydrophobicContact CD2-SD 3.72Å; L102-M154 HydrophobicContact CG-SD 3.93Å; L102-A157 HydrophobicContact CD1-CB 3.49Å; L102-A157 VanDerWaalsContact CD1-CB 3.49Å; L102-A157 HydrophobicContact CG-CB 4.37Å
103A89.5Confident87Confident64 Ų6433 Ų3353%0.52920%0.2SC..Hα-helixtrans-61.7-30.1177.400000112.4S99 M100 P107S99-A103 VanDerWaalsContact O-CB 3.26Å; S99-A103 WeakPolarHBondContact O-CB 3.09Å; S99-A103 PolarHBondContact O-N 3.28Å; M100-A103 PolarHBondContact O-N 2.74Å; A103-P107 WeakPolarHBondContact O-CD 3.48Å; A103-P107 WeakPolarHBondContact O-CG 3.31Å
104M86.8Confident87Confident23 Ų2338 Ų3811%0.11323%0.225CC..Hα-helixtrans-79.2-46.5171.3-70.1-172.3-94.100112.6F78 I79 T95 M100 N101 L102 L108 F214F78-M104 HydrophobicContact CD1-SD 3.91Å; F78-M104 HydrophobicContact CE1-CE 4.13Å; F78-M104 HydrophobicContact CE1-SD 3.68Å; I79-M104 HydrophobicContact CG1-SD 4.35Å; T95-M104 HydrophobicContact CG2-CE 4.46Å; M100-M104 HydrophobicContact CE-CE 3.83Å; M100-M104 HydrophobicContact CE-CG 4.37Å; M100-M104 HydrophobicContact CE-SD 4.23Å; M100-M104 HydrophobicContact CG-CE 3.67Å; M100-M104 PolarHBondContact O-N 3.3Å; M100-M104 VanDerWaalsContact O-N 3.07Å; M100-M104 HydrophobicContact SD-CE 4.44Å; N101-M104 PolarHBondContact O-N 3.38Å; L102-M104 PolarHBondContact O-N 3.27Å; M104-L108 WeakPolarHBondContact O-CD1 3.3Å; M104-L108 VanDerWaalsContact O-CG 3.26Å; M104-L108 WeakPolarHBondContact O-CG 3.37Å; M104-F214 HydrophobicContact CB-CZ 4.46Å
105A87.4Confident86.9Confident2 Ų239.1 Ų39.12%0.01723%0.23CC..Hα-helixtrans-71.5-44.4-17100000113.6N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.28Å; N101-A105 WeakPolarHBondContact O-CB 3.26Å; N101-A105 PolarHBondContact O-N 2.92Å; L102-A105 PolarHBondContact O-N 3.36Å; A105-L108 PolarHBondContact O-N 3.29Å; A105-W109 VanDerWaalsContact O-CB 3.3Å; A105-W109 WeakPolarHBondContact O-CB 3.42Å; A105-W109 PolarHBondContact O-N 3.39Å; A105-L156 HydrophobicContact CB-CD2 4.35Å; A105-A157 HydrophobicContact CB-CB 4.18Å; A105-F214 HydrophobicContact CB-CE2 4.32Å; A105-F214 HydrophobicContact CB-CZ 4.11Å
106I88.4Confident86.4Confident83 Ų8339.1 Ų39.143%0.42623%0.23SC..Hα-helixtrans-63.9-48.7-173.7-63.7166.7000111.6L102 L108 W109 A110L102-I106 HydrophobicContact CB-CD1 4.11Å; L102-I106 HydrophobicContact CD2-CD1 3.98Å; L102-I106 HydrophobicContact CG-CD1 3.98Å; L102-I106 WeakPolarHBondContact O-CB 3.38Å; L102-I106 WeakPolarHBondContact O-CG1 3.16Å; L102-I106 PolarHBondContact O-N 3.29Å; I106-L108 PolarHBondContact O-N 3.39Å; I106-W109 PolarHBondContact O-N 3.38Å; I106-A110 WeakPolarHBondContact O-CB 3.49Å; I106-A110 PolarHBondContact O-N 2.97Å
107P89.7Confident86.1Confident80 Ų8042.5 Ų42.552%0.51924%0.244SC..Hα-helixtrans-65.4-37.5-179.8-23.836.8000113.3A103 G111A103-P107 WeakPolarHBondContact O-CD 3.48Å; A103-P107 WeakPolarHBondContact O-CG 3.31Å; P107-G111 PolarHBondContact O-N 3.36Å
108L88.2Confident85.5Confident20 Ų2049.4 Ų49.411%0.10527%0.268CS..Hα-helixtrans-66.1-46.3178.5-70.6168.8000111.7M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.37Å; M71-L108 HydrophobicContact CG-CD2 4.17Å; M71-L108 HydrophobicContact SD-CD2 3.47Å; M71-L108 WeakPolarHBondContact SD-CD2 3.25Å; L75-L108 HydrophobicContact CD1-CD1 3.42Å; L75-L108 VanDerWaalsContact CD1-CD1 3.42Å; L75-L108 HydrophobicContact CD2-CD1 3.97Å; L75-L108 HydrophobicContact CG-CD1 4.34Å; M104-L108 WeakPolarHBondContact O-CD1 3.3Å; M104-L108 VanDerWaalsContact O-CG 3.26Å; M104-L108 WeakPolarHBondContact O-CG 3.37Å; A105-L108 PolarHBondContact O-N 3.29Å; I106-L108 PolarHBondContact O-N 3.39Å; L108-G111 PolarHBondContact O-N 3.25Å; L108-A112 PolarHBondContact O-N 2.98Å; L108-F214 HydrophobicContact CD1-CE1 4.19Å; L108-V218 HydrophobicContact CB-CG1 4.28Å
109W86.8Confident84.7Confident40 Ų4048.3 Ų48.315%0.15227%0.266CS..Hα-helixtrans-63.4-47.7175.8171.789.8000111.2A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.3Å; A105-W109 WeakPolarHBondContact O-CB 3.42Å; A105-W109 PolarHBondContact O-N 3.39Å; I106-W109 PolarHBondContact O-N 3.38Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.9Å; W109-A112 PolarHBondContact O-N 3.05Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.11Å; W109-V113 HydrophobicContact CH2-CG2 4.46Å; W109-V113 HydrophobicContact CZ2-CG2 3.94Å; W109-V113 WeakPolarHBondContact O-CG2 3.04Å; W109-V113 PolarHBondContact O-N 3.34Å; W109-L149 HydrophobicContact CH2-CD2 4.18Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.95Å; W109-L149 VanDerWaalsContact CZ2-O 3.29Å; W109-L149 WeakPolarHBondContact CZ2-O 3.11Å; W109-L149 PolarHBondContact NE1-O 2.96Å; W109-L150 HydrophobicContact CH2-CD2 3.73Å; W109-L150 HydrophobicContact CZ2-CD2 4.21Å; W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.32Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.79Å
110A85.8Confident83.8Confident27 Ų2749 Ų4922%0.22326%0.259CS..Hα-helixtrans-60.2-41.6178.900000110.9I106 A112 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.49Å; I106-A110 PolarHBondContact O-N 2.97Å; A110-A112 PolarHBondContact O-N 2.92Å; A110-V113 PolarHBondContact O-N 3.06Å; A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.06Å; A110-I114 WeakPolarHBondContact O-CD1 3.16Å; A110-I114 WeakPolarHBondContact O-CG1 3.35Å; A110-I114 PolarHBondContact O-N 3.13Å
111G86.1Confident82.8Confident24 Ų2452.3 Ų52.325%0.24728%0.277CS..Hα-helixtrans-60-44.317500000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.36Å; L108-G111 PolarHBondContact O-N 3.25Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.9Å; G111-M115 VanDerWaalsContact O-CB 3.29Å; G111-M115 WeakPolarHBondContact O-CB 3.19Å; G111-M115 PolarHBondContact O-N 3.39Å
112A84.1Confident81.7Confident1 Ų161.2 Ų61.21%0.00832%0.315CS..Hα-helixtrans-64-45.6177.600000111.7L108 W109 A110 M115 G116L108-A112 PolarHBondContact O-N 2.98Å; W109-A112 PolarHBondContact O-N 3.05Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A110-A112 PolarHBondContact O-N 2.92Å; A112-M115 PolarHBondContact O-N 2.64Å; A112-G116 PolarHBondContact O-N 2.88Å
113V83.4Confident80.8Confident16 Ų1664.2 Ų64.210%0.09733%0.331CS..Hα-helixtrans-64.8-46.1179172.50000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.11Å; W109-V113 HydrophobicContact CH2-CG2 4.46Å; W109-V113 HydrophobicContact CZ2-CG2 3.94Å; W109-V113 WeakPolarHBondContact O-CG2 3.04Å; W109-V113 PolarHBondContact O-N 3.34Å; A110-V113 PolarHBondContact O-N 3.06Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 3.32Å; V113-G116 PolarHBondContact O-N 3.1Å; V113-G116 VanDerWaalsContact O-N 3.15Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.33Å; V113-F117 HydrophobicContact CG1-CZ 4.48Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.26Å; V113-F117 PolarHBondContact O-N 3.28Å
114I84.6Confident79.6Confident109 Ų10962 Ų6256%0.55931%0.313SS*.Hα-helixtrans-61.6-39.2176.8-68.2163.7000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.06Å; A110-I114 WeakPolarHBondContact O-CD1 3.16Å; A110-I114 WeakPolarHBondContact O-CG1 3.35Å; A110-I114 PolarHBondContact O-N 3.13Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 3.16Å; I114-R118 WeakPolarHBondContact O-CB 3.4Å; I114-R118 PolarHBondContact O-N 3.38Å
115M81.9Confident78.5Confident31 Ų3165.4 Ų65.415%0.15333%0.331CS..Hα-helixtrans-65.7-37.5176.2-173.2166.9178.800112.2W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 3.8Å; W68-M115 PolarHBondContact NE1-SD 3.21Å; G111-M115 VanDerWaalsContact O-CB 3.29Å; G111-M115 WeakPolarHBondContact O-CB 3.19Å; G111-M115 PolarHBondContact O-N 3.39Å; A112-M115 PolarHBondContact O-N 2.64Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 3.32Å; M115-R118 PolarHBondContact O-N 3.42Å; M115-S119 WeakPolarHBondContact O-CB 3.29Å; M115-S119 PolarHBondContact O-N 2.93Å; M115-S119 PolarHBondContact O-OG 2.84Å; M115-S119 VanDerWaalsContact O-OG 3.06Å; M115-L222 HydrophobicContact SD-CD1 4.26Å; M115-T226 HydrophobicContact CE-CG2 4.39Å
116G77.4Confident77.3Confident1 Ų168 Ų681%0.0135%0.353CS..Hα-helixtrans-62.1-51.8173.100000112.6A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 2.88Å; V113-G116 PolarHBondContact O-N 3.1Å; V113-G116 VanDerWaalsContact O-N 3.15Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.36Å; G116-S119 PolarHBondContact O-N 3.19Å; G116-S119 PolarHBondContact O-OG 3.45Å; G116-K120 PolarHBondContact O-N 3.45Å; G116-N225 VanDerWaalsContact CA-O 3.25Å; G116-N225 WeakPolarHBondContact CA-O 3.3Å
117F78.8Confident76.2Confident81 Ų8169.3 Ų69.336%0.35536%0.357SS..Hα-helixtrans-59.3-41175.7-75.9-61000112.1V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.33Å; V113-F117 HydrophobicContact CG1-CZ 4.48Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.26Å; V113-F117 PolarHBondContact O-N 3.28Å; I114-F117 PolarHBondContact O-N 3.16Å; F117-I121 WeakPolarHBondContact O-CG1 3.28Å; F117-A124 HydrophobicContact CD1-CB 4.21Å; F117-A124 HydrophobicContact CE1-CB 4.31Å; F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.85Å; F117-F128 HydrophobicContact CZ-CE2 4.49Å
118R77.3Confident74.9Confident206 Ų20667.3 Ų67.378%0.77734%0.34SS*.Hα-helixtrans-69.9-34.8179.9-166.6177.468.8-175.60.2113.2I114 M115 G116I114-R118 WeakPolarHBondContact O-CB 3.4Å; I114-R118 PolarHBondContact O-N 3.38Å; M115-R118 PolarHBondContact O-N 3.42Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.36Å
119S69.6Low73.7Confident49 Ų4969.4 Ų69.434%0.34335%0.351SS..Hα-helixtrans-89.1-38.2-172.872.40000113.8M115 G116M115-S119 WeakPolarHBondContact O-CB 3.29Å; M115-S119 PolarHBondContact O-N 2.93Å; M115-S119 PolarHBondContact O-OG 2.84Å; M115-S119 VanDerWaalsContact O-OG 3.06Å; G116-S119 PolarHBondContact O-N 3.19Å; G116-S119 PolarHBondContact O-OG 3.45Å
120K71.3Confident72.5Confident92 Ų9271 Ų7140%0.437%0.367SS..  trans-147.471-176.7-67.5176.6-178.6158.90111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.45Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.26Å; K120-N123 HydrophobicContact CB-CB 3.94Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.45Å; K120-N123 VanDerWaalsContact O-N 3.11Å; K120-A124 WeakPolarHBondContact O-CB 3.43Å; K120-A124 PolarHBondContact O-N 3.23Å; K120-T226 WeakPolarHBondContact CE-O 3.17Å; K120-T226 VanDerWaalsContact NZ-C 3.32Å; K120-T226 PolarHBondContact NZ-O 2.96Å; K120-T226 PolarHBondContact NZ-OXT 3.18Å
121I66.6Low71.4Confident110 Ų11079.3 Ų79.356%0.56440%0.401SS*.Hα-helixtrans-46.8-49.3177.2-59.8170.9000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.28Å; I121-N123 PolarHBondContact O-N 2.9Å; I121-L125 HydrophobicContact CG2-CD1 3.79Å; I121-L125 WeakPolarHBondContact O-CD1 3.46Å; I121-L125 PolarHBondContact O-N 3.2Å
122K64.7Low70.3Confident187 Ų18782.1 Ų82.181%0.81343%0.43SS*.Hα-helixtrans-65.8-38.2-176.3-64.8-175.3-179.6-177.20113.5K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.26Å; K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.49Å; K122-A126 PolarHBondContact O-N 3.35Å
123N67.9Low69.7Low103 Ų10384 Ų8455%0.55144%0.441SS*.Hα-helixtrans-78.8-36.1-177.7-147.661000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.94Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.45Å; K120-N123 VanDerWaalsContact O-N 3.11Å; I121-N123 PolarHBondContact O-N 2.9Å; N123-A126 PolarHBondContact O-N 2.68Å; N123-H127 PolarHBondContact O-N 3.39Å; N123-H127 VanDerWaalsContact O-N 3.11Å
124A64.4Low69.2Low18 Ų1886.9 Ų86.915%0.14946%0.46CS..Hα-helixtrans-63.1-43.1173.100000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.21Å; F117-A124 HydrophobicContact CE1-CB 4.31Å; K120-A124 WeakPolarHBondContact O-CB 3.43Å; K120-A124 PolarHBondContact O-N 3.23Å; A124-H127 PolarHBondContact O-N 3.23Å
125L63.5Low68.8Low94 Ų9487.4 Ų87.449%0.49247%0.469SS..Hα-helixtrans-70.4-32174.6-86.884.9000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.85Å; I121-L125 HydrophobicContact CG2-CD1 3.79Å; I121-L125 WeakPolarHBondContact O-CD1 3.46Å; I121-L125 PolarHBondContact O-N 3.2Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.48Å; L125-F128 PolarHBondContact O-N 3.07Å
126A62.2Low68.8Low56 Ų5690.8 Ų90.846%0.46349%0.493SS..Hα-helixtrans-67.6-27.8176.900000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.49Å; K122-A126 PolarHBondContact O-N 3.35Å; N123-A126 PolarHBondContact O-N 2.68Å; A126-F128 PolarHBondContact O-N 2.87Å; A126-L129 PolarHBondContact O-N 3Å
127H65.4Low68.9Low111 Ų11195.9 Ų95.951%0.51452%0.519SS..THydrogen-bonded Turntrans-65.5-20.1176-159.7-63.3000113N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.39Å; N123-H127 VanDerWaalsContact O-N 3.11Å; A124-H127 PolarHBondContact O-N 3.23Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.48Å; H127-L129 PolarHBondContact O-N 3.5Å
128F63.1Low68.9Low37 Ų3794.3 Ų94.316%0.16251%0.514CS..THydrogen-bonded Turntrans-69.5-15.6173.3-67.2-58.5000113.4F117 L125 A126 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.49Å; L125-F128 PolarHBondContact O-N 3.07Å; A126-F128 PolarHBondContact O-N 2.87Å; F128-E145 HydrophobicContact CD1-CB 4.22Å; F128-E145 HydrophobicContact CD1-CG 3.85Å; F128-T146 HydrophobicContact CD1-CG2 4.09Å; F128-T146 HydrophobicContact CE1-CG2 3.85Å; F128-T146 HydrophobicContact CZ-CG2 4.34Å; F128-L149 HydrophobicContact CE1-CD1 4.45Å
129L63.3Low69Low64 Ų6488.4 Ų88.434%0.33550%0.502SS..SBendtrans-121.4109.8175.9-101.374.5000110.9A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3Å; H127-L129 PolarHBondContact O-N 3.5Å; L129-Q131 PolarHBondContact O-N 3.48Å; L129-I138 HydrophobicContact CD1-CG2 3.98Å; L129-I138 HydrophobicContact CD2-CD1 4.24Å; L129-I138 HydrophobicContact CD2-CG1 4.36Å; L129-I138 HydrophobicContact CD2-CG2 3.81Å; L129-I138 HydrophobicContact CG-CG2 4.18Å; L129-V142 HydrophobicContact CD1-CG2 3.28Å
130P61.4Low69.6Low74 Ų7490.1 Ų90.148%0.48151%0.511SS..  trans-59.6139.1162.922.1-29.3000110.3G132 T133 L141P130-G132 PolarHBondContact O-N 3.3Å; P130-T133 HydrophobicContact CG-CG2 3.79Å; P130-T133 WeakPolarHBondContact O-CG2 3.31Å; P130-L141 VanDerWaalsContact CD-CD2 3.45Å; P130-L141 HydrophobicContact CG-CD2 3.55Å
131Q61.6Low70.3Confident202 Ų20288.1 Ų88.194%0.94450%0.504SS*.THydrogen-bonded Turntrans-67.1132.2-177.7-61.4-157.7-3.100110.8L129L129-Q131 PolarHBondContact O-N 3.48Å
132G63.2Low71Confident83 Ų8385.1 Ų85.186%0.85649%0.491SS*.THydrogen-bonded Turntrans98.111.617600000115.9P130P130-G132 PolarHBondContact O-N 3.3Å
133T71.4Confident71.9Confident39 Ų3981 Ų8124%0.23948%0.476CS..  trans-73.9134.7176.754.40000112.3P130 L141P130-T133 HydrophobicContact CG-CG2 3.79Å; P130-T133 WeakPolarHBondContact O-CG2 3.31Å; T133-L141 HydrophobicContact CG2-CD2 3.57Å
134P73.8Confident72.8Confident78 Ų7880.7 Ų80.751%0.50647%0.474SS..  trans-65.1141177.128.7-35000110.9P136 L137P134-P136 VanDerWaalsContact C-N 3.35Å; P134-P136 WeakPolarHBondContact O-CD 3.3Å; P134-P136 VanDerWaalsContact O-N 3.11Å; P134-L137 HydrophobicContact CG-CB 4.45Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.24Å; P134-L137 PolarHBondContact O-N 3.1Å
135T75.3Confident73.7Confident120 Ų12082.8 Ų82.874%0.73648%0.481SS*.THydrogen-bonded Turntrans-50.5-34-171.148.70000117I138T135-I138 HydrophobicContact CG2-CD1 4.46Å
136P81.8Confident74.5Confident102 Ų10280.8 Ų80.866%0.66247%0.472SS*.THydrogen-bonded Turntrans-77.8-20.7179.828-32.6000114.3P134P134-P136 VanDerWaalsContact C-N 3.35Å; P134-P136 WeakPolarHBondContact O-CD 3.3Å; P134-P136 VanDerWaalsContact O-N 3.11Å
137L79.6Confident75.6Confident107 Ų10782.1 Ų82.156%0.5647%0.471SS*.THydrogen-bonded Turntrans-87.1-11.4-178.8-66.8177.6000113.3P134 V140 L141P134-L137 HydrophobicContact CG-CB 4.45Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.24Å; P134-L137 PolarHBondContact O-N 3.1Å; L137-V140 PolarHBondContact O-N 3.29Å; L137-L141 PolarHBondContact O-N 2.84Å; L137-L141 VanDerWaalsContact O-N 3.15Å
138I79.1Confident76.5Confident48 Ų4879.2 Ų79.225%0.24646%0.463CS..Hα-helixtrans-55.8-48.7-175.4-64.7177000112.8L129 T135 V140 L141 V142L129-I138 HydrophobicContact CD1-CG2 3.98Å; L129-I138 HydrophobicContact CD2-CD1 4.24Å; L129-I138 HydrophobicContact CD2-CG1 4.36Å; L129-I138 HydrophobicContact CD2-CG2 3.81Å; L129-I138 HydrophobicContact CG-CG2 4.18Å; T135-I138 HydrophobicContact CG2-CD1 4.46Å; I138-V140 VanDerWaalsContact C-N 3.33Å; I138-V140 PolarHBondContact O-N 3.28Å; I138-L141 PolarHBondContact O-N 3.42Å; I138-V142 HydrophobicContact CG2-CG2 4.48Å; I138-V142 WeakPolarHBondContact O-CG2 3.38Å; I138-V142 PolarHBondContact O-N 3.34Å; I138-V142 VanDerWaalsContact O-N 3.16Å
139P79.1Confident77.5Confident82 Ų8279.6 Ų79.653%0.53247%0.467SS..Hα-helixtrans-64.7-37.5-175.2-21.434000113I143P139-I143 WeakPolarHBondContact O-CG1 3.45Å; P139-I143 PolarHBondContact O-N 3.21Å
140V83.8Confident78.4Confident86 Ų8681.8 Ų81.852%0.52148%0.478SS..Hα-helixtrans-69.1-41.3179.6177.70000110.7L137 I138 I143 I144L137-V140 PolarHBondContact O-N 3.29Å; I138-V140 VanDerWaalsContact C-N 3.33Å; I138-V140 PolarHBondContact O-N 3.28Å; V140-I143 PolarHBondContact O-N 3.39Å; V140-I144 HydrophobicContact CG1-CD1 3.92Å; V140-I144 WeakPolarHBondContact O-CG1 3.46Å; V140-I144 PolarHBondContact O-N 3.38Å; V140-I144 VanDerWaalsContact O-N 3.08Å
141L84.3Confident79.5Confident50 Ų5083 Ų8326%0.26248%0.479SS..Hα-helixtrans-65.4-40.8-179.1-170.470.4000112.6P130 T133 L137 I138 I143 I144 E145P130-L141 VanDerWaalsContact CD-CD2 3.45Å; P130-L141 HydrophobicContact CG-CD2 3.55Å; T133-L141 HydrophobicContact CG2-CD2 3.57Å; L137-L141 PolarHBondContact O-N 2.84Å; L137-L141 VanDerWaalsContact O-N 3.15Å; I138-L141 PolarHBondContact O-N 3.42Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.36Å; L141-I144 PolarHBondContact O-N 3.1Å; L141-E145 WeakPolarHBondContact O-CB 3.45Å; L141-E145 PolarHBondContact O-N 2.96Å
142V81.3Confident80.5Confident46 Ų4676.7 Ų76.728%0.27945%0.45SS..Hα-helixtrans-60.8-41.4175.7174.40000111.1L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.28Å; I138-V142 HydrophobicContact CG2-CG2 4.48Å; I138-V142 WeakPolarHBondContact O-CG2 3.38Å; I138-V142 PolarHBondContact O-N 3.34Å; I138-V142 VanDerWaalsContact O-N 3.16Å; V142-E145 PolarHBondContact O-N 3.38Å; V142-T146 HydrophobicContact CG1-CG2 4.36Å; V142-T146 WeakPolarHBondContact O-CB 3.41Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.38Å; V142-T146 PolarHBondContact O-N 3.08Å; V142-T146 PolarHBondContact O-OG1 3.46Å
143I84.8Confident81.3Confident100 Ų10073.2 Ų73.251%0.51341%0.413SS..Hα-helixtrans-63.5-43.6177.1-66.4167000110.5P139 V140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.45Å; P139-I143 PolarHBondContact O-N 3.21Å; V140-I143 PolarHBondContact O-N 3.39Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.36Å; I143-T146 WeakPolarHBondContact CA-OG1 3.28Å; I143-T146 PolarHBondContact O-OG1 3.12Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CB 3.45Å; I143-I147 WeakPolarHBondContact O-CD1 3.36Å; I143-I147 VanDerWaalsContact O-CG1 3.23Å; I143-I147 WeakPolarHBondContact O-CG1 2.97Å; I143-I147 PolarHBondContact O-N 2.99Å
144I85.6Confident82Confident98 Ų9875 Ų7550%0.50342%0.419SS..Hα-helixtrans-65.5-43.4179.1-65.5166.9000111.1V140 L141 I147 S148V140-I144 HydrophobicContact CG1-CD1 3.92Å; V140-I144 WeakPolarHBondContact O-CG1 3.46Å; V140-I144 PolarHBondContact O-N 3.38Å; V140-I144 VanDerWaalsContact O-N 3.08Å; L141-I144 PolarHBondContact O-N 3.1Å; I144-I147 PolarHBondContact O-N 2.74Å; I144-S148 WeakPolarHBondContact O-CB 3.12Å; I144-S148 PolarHBondContact O-N 3.42Å
145E83.9Confident82.5Confident61 Ų6173.3 Ų73.329%0.28541%0.411SS..Hα-helixtrans-67.3-39.8-179.1-167.261-157.900111.8F128 L141 V142 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.22Å; F128-E145 HydrophobicContact CD1-CG 3.85Å; L141-E145 WeakPolarHBondContact O-CB 3.45Å; L141-E145 PolarHBondContact O-N 2.96Å; V142-E145 PolarHBondContact O-N 3.38Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 2.93Å; E145-S148 WeakPolarHBondContact O-CB 3.35Å; E145-S148 PolarHBondContact O-N 3.35Å; E145-L149 WeakPolarHBondContact O-CB 3.44Å; E145-L149 PolarHBondContact O-N 3.02Å
146T81.4Confident82.8Confident52 Ų5267.9 Ų67.932%0.31938%0.378SS..Hα-helixtrans-63.4-39173.9520000112.2F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.09Å; F128-T146 HydrophobicContact CE1-CG2 3.85Å; F128-T146 HydrophobicContact CZ-CG2 4.34Å; V142-T146 HydrophobicContact CG1-CG2 4.36Å; V142-T146 WeakPolarHBondContact O-CB 3.41Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.38Å; V142-T146 PolarHBondContact O-N 3.08Å; V142-T146 PolarHBondContact O-OG1 3.46Å; I143-T146 WeakPolarHBondContact CA-OG1 3.28Å; I143-T146 PolarHBondContact O-OG1 3.12Å; T146-L150 WeakPolarHBondContact O-CG 3.28Å; T146-L150 PolarHBondContact O-N 2.94Å
147I85.4Confident82.9Confident84 Ų8463 Ų6343%0.43135%0.346SS..Hα-helixtrans-66.6-43.7173.6-68.4166.6000111I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CB 3.45Å; I143-I147 WeakPolarHBondContact O-CD1 3.36Å; I143-I147 VanDerWaalsContact O-CG1 3.23Å; I143-I147 WeakPolarHBondContact O-CG1 2.97Å; I143-I147 PolarHBondContact O-N 2.99Å; I144-I147 PolarHBondContact O-N 2.74Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 2.93Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.84Å; I147-L150 PolarHBondContact O-N 3.49Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.15Å; I147-I151 WeakPolarHBondContact O-CG1 3.39Å; I147-I151 PolarHBondContact O-N 3.26Å
148S83.8Confident83.3Confident51 Ų5160.8 Ų60.836%0.35734%0.337SS..Hα-helixtrans-57.5-46.4178.3-177.10000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.12Å; I144-S148 PolarHBondContact O-N 3.42Å; E145-S148 WeakPolarHBondContact O-CB 3.35Å; E145-S148 PolarHBondContact O-N 3.35Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 2.96Å; S148-I151 PolarHBondContact O-N 3.33Å; S148-Q152 PolarHBondContact O-N 2.97Å; S148-Q152 VanDerWaalsContact O-N 3.09Å
149L82.9Confident83.7Confident45 Ų4563.2 Ų63.224%0.23634%0.343CS..Hα-helixtrans-60.8-35.4177.7-176.3125.9000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.18Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.95Å; W109-L149 VanDerWaalsContact CZ2-O 3.29Å; W109-L149 WeakPolarHBondContact CZ2-O 3.11Å; W109-L149 PolarHBondContact NE1-O 2.96Å; F128-L149 HydrophobicContact CE1-CD1 4.45Å; E145-L149 WeakPolarHBondContact O-CB 3.44Å; E145-L149 PolarHBondContact O-N 3.02Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.84Å; L149-P153 WeakPolarHBondContact O-CD 3.29Å
150L82.9Confident83.8Confident110 Ų11059.3 Ų59.358%0.57632%0.318SS*.Hα-helixtrans-77.9-35.4176.5-70.9174.4000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.73Å; W109-L150 HydrophobicContact CZ2-CD2 4.21Å; T146-L150 WeakPolarHBondContact O-CG 3.28Å; T146-L150 PolarHBondContact O-N 2.94Å; I147-L150 PolarHBondContact O-N 3.49Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 2.96Å; L150-P153 WeakPolarHBondContact O-CD 3.21Å; L150-P153 WeakPolarHBondContact O-CG 3.29Å
151I85.2Confident83.9Confident98 Ų9855.9 Ų55.950%0.50330%0.297SS..Hα-helixtrans-73.1-31-179.2-69.3173.5000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.15Å; I147-I151 WeakPolarHBondContact O-CG1 3.39Å; I147-I151 PolarHBondContact O-N 3.26Å; S148-I151 PolarHBondContact O-N 3.33Å; I151-M154 WeakPolarHBondContact O-CB 3.17Å; I151-M154 PolarHBondContact O-N 3.45Å; I151-M154 VanDerWaalsContact O-N 3.11Å; I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.28Å; I151-A155 PolarHBondContact O-N 3.42Å
152Q83.3Confident84Confident71 Ų7155.4 Ų55.433%0.33230%0.3SS..Hα-helixtrans-50.9-52.8-177.2-112.8176-11.200116.2S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 2.97Å; S148-Q152 VanDerWaalsContact O-N 3.09Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 2.93Å; Q152-A155 PolarHBondContact O-N 3.31Å; Q152-L156 WeakPolarHBondContact O-CB 3.47Å; Q152-L156 PolarHBondContact O-N 2.87Å; Q152-Y221 HydrophobicContact CG-CE1 4.34Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.37Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.29Å; Q152-Y221 PolarHBondContact NE2-OH 2.81Å; Q152-Y221 PolarHBondContact OE1-OH 3.39Å
153P79.8Confident84.3Confident10 Ų1056.1 Ų56.17%0.06530%0.302CS..Hα-helixtrans-64.4-34.2178.324.4-34.8000112.1W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.32Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.79Å; L149-P153 WeakPolarHBondContact O-CD 3.29Å; L150-P153 WeakPolarHBondContact O-CD 3.21Å; L150-P153 WeakPolarHBondContact O-CG 3.29Å; P153-A157 PolarHBondContact O-N 3.5Å
154M84.4Confident84.4Confident77 Ų7751.6 Ų51.638%0.37928%0.279SS..Hα-helixtrans-65.9-47.1175-168.468.3-167.800111L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.12Å; L102-M154 HydrophobicContact CD1-CE 3.8Å; L102-M154 HydrophobicContact CD1-SD 3.6Å; L102-M154 HydrophobicContact CD2-CE 4.1Å; L102-M154 HydrophobicContact CD2-SD 3.72Å; L102-M154 HydrophobicContact CG-SD 3.93Å; I151-M154 WeakPolarHBondContact O-CB 3.17Å; I151-M154 PolarHBondContact O-N 3.45Å; I151-M154 VanDerWaalsContact O-N 3.11Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 2.93Å; M154-L156 VanDerWaalsContact C-N 3.3Å; M154-L156 PolarHBondContact O-N 3.07Å; M154-A157 PolarHBondContact O-N 3.11Å; M154-V158 HydrophobicContact CE-CG2 4.04Å; M154-V158 HydrophobicContact CG-CG2 4.46Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.23Å; M154-V158 PolarHBondContact O-N 3.02Å
155A85.3Confident84.5Confident41 Ų4148.7 Ų48.734%0.33927%0.266SS..Hα-helixtrans-61.8-37.7179.200000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.28Å; I151-A155 PolarHBondContact O-N 3.42Å; Q152-A155 PolarHBondContact O-N 3.31Å; A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.09Å; A155-R159 PolarHBondContact O-N 3.47Å
156L80.7Confident84.7Confident6 Ų648.3 Ų48.33%0.03127%0.274CS..Hα-helixtrans-61-48.3175.1-166.888000111.7A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.35Å; Q152-L156 WeakPolarHBondContact O-CB 3.47Å; Q152-L156 PolarHBondContact O-N 2.87Å; M154-L156 VanDerWaalsContact C-N 3.3Å; M154-L156 PolarHBondContact O-N 3.07Å; L156-R159 PolarHBondContact O-N 3.46Å; L156-L160 PolarHBondContact O-N 2.99Å; L156-F214 HydrophobicContact CD1-CD2 4.26Å; L156-F214 HydrophobicContact CD1-CG 4.47Å; L156-F214 HydrophobicContact CD2-CD1 4.02Å; L156-F214 HydrophobicContact CD2-CD2 3.33Å; L156-F214 HydrophobicContact CD2-CE1 3.89Å; L156-F214 HydrophobicContact CD2-CE2 3.17Å; L156-F214 HydrophobicContact CD2-CG 3.77Å; L156-F214 HydrophobicContact CD2-CZ 3.48Å; L156-F214 VanDerWaalsContact CD2-CZ 3.48Å; L156-F214 HydrophobicContact CG-CD2 3.47Å; L156-F214 VanDerWaalsContact CG-CD2 3.47Å; L156-F214 HydrophobicContact CG-CE2 3.69Å; L156-F214 HydrophobicContact CG-CG 4.09Å; L156-F214 HydrophobicContact CG-CZ 4.46Å; L156-L217 HydrophobicContact CD1-CB 3.84Å; L156-L217 HydrophobicContact CD1-CD1 3.36Å; L156-L217 HydrophobicContact CD1-CG 4.23Å; L156-V218 HydrophobicContact CD2-CG2 4.32Å
157A84.4Confident85Confident0 Ų046.1 Ų46.10%026%0.261CS..Hα-helixtrans-67.5-42.9-178.700000112.1N101 L102 A105 P153 M154 R159 L160 T161N101-A157 HydrophobicContact CB-CB 3.78Å; N101-A157 PolarHBondContact ND2-O 2.69Å; L102-A157 HydrophobicContact CD1-CB 3.49Å; L102-A157 VanDerWaalsContact CD1-CB 3.49Å; L102-A157 HydrophobicContact CG-CB 4.37Å; A105-A157 HydrophobicContact CB-CB 4.18Å; P153-A157 PolarHBondContact O-N 3.5Å; M154-A157 PolarHBondContact O-N 3.11Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.89Å; A157-L160 PolarHBondContact O-N 3.13Å; A157-T161 PolarHBondContact O-N 3.18Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.31Å
158V87.3Confident85.2Confident61 Ų6143.7 Ų43.737%0.3725%0.248SC..Hα-helixtrans-63.1-39.4175.6172.70000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.86Å; M154-V158 HydrophobicContact CE-CG2 4.04Å; M154-V158 HydrophobicContact CG-CG2 4.46Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.23Å; M154-V158 PolarHBondContact O-N 3.02Å; V158-L160 VanDerWaalsContact C-N 3.28Å; V158-L160 PolarHBondContact O-N 3.45Å; V158-T161 WeakPolarHBondContact CA-OG1 3.37Å; V158-T161 PolarHBondContact O-N 2.83Å; V158-T161 PolarHBondContact O-OG1 3.24Å; V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 3.32Å
159R87.8Confident85.4Confident98 Ų9843.2 Ų43.237%0.3724%0.241SC..Hα-helixtrans-59.3-41.9177-169.7-173.3-60152.33.2111.5A155 L156 A157 N163 Q210 L217A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.09Å; A155-R159 PolarHBondContact O-N 3.47Å; L156-R159 PolarHBondContact O-N 3.46Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.89Å; R159-N163 WeakPolarHBondContact O-CB 3.37Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 3.22Å; R159-N163 PolarHBondContact O-ND2 3.29Å; R159-Q210 VanDerWaalsContact C-NE2 3.31Å; R159-L217 VanDerWaalsContact NH1-CD1 3.33Å
160L82.3Confident85.8Confident1 Ų145 Ų451%0.00525%0.25CS..Hα-helixtrans-71.2-41.9-178.1-161.5141000111.6I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.64Å; T95-L160 HydrophobicContact CG2-CD2 3.97Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.35Å; L156-L160 PolarHBondContact O-N 2.99Å; A157-L160 PolarHBondContact O-N 3.13Å; V158-L160 VanDerWaalsContact C-N 3.28Å; V158-L160 PolarHBondContact O-N 3.45Å; L160-I164 HydrophobicContact CD2-CD1 3.63Å; L160-I164 HydrophobicContact CG-CD1 4.19Å; L160-I164 WeakPolarHBondContact O-CG1 3.47Å; L160-I164 PolarHBondContact O-N 2.97Å; L160-Q210 HydrophobicContact CB-CG 4.11Å; L160-Q210 HydrophobicContact CD1-CG 3.78Å; L160-Q210 HydrophobicContact CG-CG 3.72Å; L160-Q210 VanDerWaalsContact N-NE2 3.11Å; L160-F214 HydrophobicContact CD1-CB 4.45Å; L160-F214 HydrophobicContact CD1-CD2 3.96Å; L160-F214 HydrophobicContact CD1-CG 4.47Å
161T85.9Confident86.1Confident13 Ų1341.1 Ų41.18%0.0823%0.23CC..Hα-helixtrans-65.3-46.4174.749.90000112T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.37Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.06Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å; N101-T161 HydrophobicContact CB-CG2 4.33Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.35Å; N101-T161 PolarHBondContact ND2-N 3.18Å; A157-T161 PolarHBondContact O-N 3.18Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.31Å; V158-T161 WeakPolarHBondContact CA-OG1 3.37Å; V158-T161 PolarHBondContact O-N 2.83Å; V158-T161 PolarHBondContact O-OG1 3.24Å; T161-N163 PolarHBondContact O-N 2.87Å; T161-I164 PolarHBondContact O-N 3.42Å; T161-T165 VanDerWaalsContact O-CB 3.26Å; T161-T165 WeakPolarHBondContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CG2 3.41Å; T161-T165 PolarHBondContact O-N 3.06Å; T161-T165 PolarHBondContact O-OG1 2.82Å
162A85.3Confident86.3Confident40 Ų4039.7 Ų39.733%0.33122%0.221SC..Hα-helixtrans-63-44.6-17300000111.1V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 3.32Å; A162-T165 WeakPolarHBondContact CA-OG1 3.44Å; A162-T165 PolarHBondContact O-OG1 3.01Å; A162-A166 WeakPolarHBondContact O-CB 3.07Å; A162-A166 PolarHBondContact O-N 3.07Å
163N88.7Confident86.7Confident61 Ų6140.9 Ų40.933%0.32623%0.229SC..Hα-helixtrans-64.1-48.8-179.4-69.5-7000111.4R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.37Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 3.22Å; R159-N163 PolarHBondContact O-ND2 3.29Å; T161-N163 PolarHBondContact O-N 2.87Å; N163-G167 PolarHBondContact O-N 3.31Å; N163-V206 HydrophobicContact CB-CG1 4.1Å
164I85.8Confident87.2Confident5 Ų542 Ų423%0.02623%0.234CC..Hα-helixtrans-70.7-40.7-176.5-58.9172.6000111.2N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.41Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.41Å; T93-I164 HydrophobicContact CG2-CG2 4.35Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.36Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.64Å; L160-I164 HydrophobicContact CD2-CD1 3.63Å; L160-I164 HydrophobicContact CG-CD1 4.19Å; L160-I164 WeakPolarHBondContact O-CG1 3.47Å; L160-I164 PolarHBondContact O-N 2.97Å; T161-I164 PolarHBondContact O-N 3.42Å; I164-H168 WeakPolarHBondContact O-CB 3.31Å; I164-H168 PolarHBondContact O-CD2 3.15Å; I164-H168 PolarHBondContact O-N 3.38Å; I164-H168 VanDerWaalsContact O-N 3.07Å
165T88.5Confident87.5Confident37 Ų3739 Ų3923%0.22722%0.224CC..Hα-helixtrans-65.7-46.4177.252.60000111.7F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.43Å; F9-T165 HydrophobicContact CE1-CG2 4.15Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å; T161-T165 VanDerWaalsContact O-CB 3.26Å; T161-T165 WeakPolarHBondContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CG2 3.41Å; T161-T165 PolarHBondContact O-N 3.06Å; T161-T165 PolarHBondContact O-OG1 2.82Å; A162-T165 WeakPolarHBondContact CA-OG1 3.44Å; A162-T165 PolarHBondContact O-OG1 3.01Å; T165-H168 PolarHBondContact O-N 2.81Å; T165-L169 WeakPolarHBondContact O-CB 3.26Å; T165-L169 WeakPolarHBondContact O-CG 3.45Å; T165-L169 PolarHBondContact O-N 2.95Å
166A87.8Confident87.7Confident54 Ų5440.6 Ų40.645%0.44623%0.226SC..Hα-helixtrans-64.3-43.7178.900000111.5A162 H168 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.07Å; A162-A166 PolarHBondContact O-N 3.07Å; A166-H168 PolarHBondContact O-N 3.16Å; A166-L169 PolarHBondContact O-N 3.4Å; A166-L170 VanDerWaalsContact O-CB 3.29Å; A166-L170 WeakPolarHBondContact O-CB 3.42Å; A166-L170 PolarHBondContact O-N 3.11Å
167G88.3Confident88.1Confident6 Ų642.2 Ų42.26%0.06224%0.24CC..Hα-helixtrans-58.8-47.6176.400000112.4N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.31Å; G167-L170 PolarHBondContact O-N 3.26Å; G167-M171 WeakPolarHBondContact O-CG 3.44Å; G167-M171 PolarHBondContact O-N 3.08Å; G167-E203 WeakPolarHBondContact CA-OE2 3.31Å
168H88.4Confident88.4Confident32 Ų3243 Ų4315%0.14825%0.246CC..Hα-helixtrans-62.3-43.3175.8-92.1-88.1000113.6F9 G86 I164 T165 A166 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.08Å; F9-H168 HydrophobicContact CZ-CB 3.84Å; G86-H168 PolarHBondContact O-CE1 3.34Å; G86-H168 PolarHBondContact O-NE2 3.17Å; G86-H168 VanDerWaalsContact O-NE2 3.08Å; I164-H168 WeakPolarHBondContact O-CB 3.31Å; I164-H168 PolarHBondContact O-CD2 3.15Å; I164-H168 PolarHBondContact O-N 3.38Å; I164-H168 VanDerWaalsContact O-N 3.07Å; T165-H168 PolarHBondContact O-N 2.81Å; A166-H168 PolarHBondContact O-N 3.16Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-M171 PolarHBondContact O-N 2.96Å; H168-H172 WeakPolarHBondContact O-CB 3.36Å; H168-H172 PolarHBondContact O-N 3.32Å
169L88.7Confident88.5Confident42 Ų4245.7 Ų45.722%0.2226%0.257CS..Hα-helixtrans-62.2-42.7175.6-77.8170.4000111.3F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.39Å; F6-L169 HydrophobicContact CE1-CD1 4.08Å; F6-L169 HydrophobicContact CE1-CD2 4.05Å; F6-L169 HydrophobicContact CZ-CD2 4.47Å; F9-L169 HydrophobicContact CE2-CD1 4.45Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.92Å; T165-L169 WeakPolarHBondContact O-CB 3.26Å; T165-L169 WeakPolarHBondContact O-CG 3.45Å; T165-L169 PolarHBondContact O-N 2.95Å; A166-L169 PolarHBondContact O-N 3.4Å; L169-H172 PolarHBondContact O-N 3.36Å; L169-L173 WeakPolarHBondContact O-CB 3.31Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.49Å; L169-L173 PolarHBondContact O-N 3.03Å
170L90.4Very high88.5Confident81 Ų8143.3 Ų43.342%0.42426%0.259SS..Hα-helixtrans-66.4-42.8-179.5-154.6156.3000110.8A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.29Å; A166-L170 WeakPolarHBondContact O-CB 3.42Å; A166-L170 PolarHBondContact O-N 3.11Å; G167-L170 PolarHBondContact O-N 3.26Å; H168-L170 VanDerWaalsContact C-N 3.33Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.15Å; L170-L173 PolarHBondContact O-N 2.85Å; L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 4Å; L170-I174 WeakPolarHBondContact O-CG1 3.02Å; L170-I174 PolarHBondContact O-N 3.34Å; L170-L199 HydrophobicContact CB-CD2 4.33Å; L170-L199 HydrophobicContact CD2-CD1 3.73Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.1Å; L170-L199 HydrophobicContact CG-CD2 4.36Å
171M90.8Very high88.8Confident30 Ų3046.2 Ų46.215%0.14827%0.273CS..Hα-helixtrans-58.5-42.9172.3-74.4-172.1-68.800111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.96Å; G167-M171 WeakPolarHBondContact O-CG 3.44Å; G167-M171 PolarHBondContact O-N 3.08Å; H168-M171 PolarHBondContact O-N 2.96Å; M171-G175 PolarHBondContact O-N 3.46Å; M171-L199 HydrophobicContact CB-CD2 4.28Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.11Å; M171-T200 HydrophobicContact SD-CG2 3.89Å; M171-E203 HydrophobicContact CE-CG 4.15Å
172H89.4Confident88.9Confident68 Ų6848.7 Ų48.732%0.31529%0.291SS..Hα-helixtrans-68.3-40.1178.8-165.2-46000112.4L5 H168 L169 L170 G175 N176L5-H172 VanDerWaalsContact CD2-ND1 3.31Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.26Å; H168-H172 WeakPolarHBondContact O-CB 3.36Å; H168-H172 PolarHBondContact O-N 3.32Å; L169-H172 PolarHBondContact O-N 3.36Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.15Å; H172-G175 PolarHBondContact O-N 3.26Å; H172-N176 PolarHBondContact CE1-ND2 2.89Å; H172-N176 VanDerWaalsContact CE1-ND2 3.26Å; H172-N176 PolarHBondContact CE1-OD1 2.99Å; H172-N176 PolarHBondContact ND1-ND2 3.33Å; H172-N176 VanDerWaalsContact ND1-ND2 3.15Å; H172-N176 PolarHBondContact O-N 3.41Å
173L90.4Very high89Confident96 Ų9652.5 Ų52.550%0.50331%0.31SS..Hα-helixtrans-66.5-45.2178.6-73.1172.7000111.5L5 L169 L170 N176 A177L5-L173 HydrophobicContact CD1-CD2 3.97Å; L5-L173 HydrophobicContact CD2-CD2 4.28Å; L169-L173 WeakPolarHBondContact O-CB 3.31Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.49Å; L169-L173 PolarHBondContact O-N 3.03Å; L170-L173 PolarHBondContact O-N 2.85Å; L173-N176 PolarHBondContact O-N 3.02Å; L173-A177 WeakPolarHBondContact O-CB 3.43Å; L173-A177 PolarHBondContact O-N 2.93Å
174I91.4Very high88.9Confident32 Ų3254.7 Ų54.716%0.16432%0.321CS..Hα-helixtrans-66.6-39.6175.9-64.7-172.5000110.4L170 N176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 4Å; L170-I174 WeakPolarHBondContact O-CG1 3.02Å; L170-I174 PolarHBondContact O-N 3.34Å; I174-N176 VanDerWaalsContact C-N 3.34Å; I174-N176 PolarHBondContact O-N 2.92Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.25Å; I174-A177 PolarHBondContact O-N 3.44Å; I174-A177 VanDerWaalsContact O-N 3.13Å; I174-T178 HydrophobicContact CG2-CG2 4.4Å; I174-T178 WeakPolarHBondContact O-CG2 3.34Å; I174-T178 PolarHBondContact O-N 2.71Å; I174-T178 PolarHBondContact O-OG1 3.06Å; I174-I192 HydrophobicContact CG2-CG2 3.79Å; I174-I195 HydrophobicContact CD1-CG2 4.02Å; I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å
175G90.3Very high89Confident16 Ų1658.9 Ų58.917%0.16534%0.343CS..Hα-helixtrans-60.9-38.9174.600000113.5M171 H172 T178 L179M171-G175 PolarHBondContact O-N 3.46Å; H172-G175 PolarHBondContact O-N 3.26Å; G175-T178 PolarHBondContact O-OG1 3.28Å; G175-L179 PolarHBondContact O-N 2.95Å; G175-L179 VanDerWaalsContact O-N 3.14Å
176N89.3Confident89Confident73 Ų7364.3 Ų64.339%0.3937%0.37SS..Hα-helixtrans-68.7-37.8173-74.4-11.8000111.8H172 L173 I174 L179 A180H172-N176 PolarHBondContact CE1-ND2 2.89Å; H172-N176 VanDerWaalsContact CE1-ND2 3.26Å; H172-N176 PolarHBondContact CE1-OD1 2.99Å; H172-N176 PolarHBondContact ND1-ND2 3.33Å; H172-N176 VanDerWaalsContact ND1-ND2 3.15Å; H172-N176 PolarHBondContact O-N 3.41Å; L173-N176 PolarHBondContact O-N 3.02Å; I174-N176 VanDerWaalsContact C-N 3.34Å; I174-N176 PolarHBondContact O-N 2.92Å; N176-L179 PolarHBondContact O-N 3.01Å; N176-A180 WeakPolarHBondContact O-CB 3.31Å; N176-A180 PolarHBondContact O-N 3.34Å
177A88.5Confident89Confident40 Ų4066.2 Ų66.233%0.33138%0.378SS..Hα-helixtrans-65.8-41176.500000111.8L173 I174 A180 M181L173-A177 WeakPolarHBondContact O-CB 3.43Å; L173-A177 PolarHBondContact O-N 2.93Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.25Å; I174-A177 PolarHBondContact O-N 3.44Å; I174-A177 VanDerWaalsContact O-N 3.13Å; A177-A180 PolarHBondContact O-N 3.25Å; A177-M181 WeakPolarHBondContact O-CB 3.49Å; A177-M181 WeakPolarHBondContact O-CG 3.48Å; A177-M181 PolarHBondContact O-N 2.91Å
178T90.6Very high89Confident18 Ų1867.8 Ų67.811%0.1139%0.388CS..Hα-helixtrans-62.5-43.6174.856.50000111.3I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.4Å; I174-T178 WeakPolarHBondContact O-CG2 3.34Å; I174-T178 PolarHBondContact O-N 2.71Å; I174-T178 PolarHBondContact O-OG1 3.06Å; G175-T178 PolarHBondContact O-OG1 3.28Å; T178-M181 PolarHBondContact O-N 3.3Å; T178-S182 WeakPolarHBondContact O-CB 3.36Å; T178-S182 PolarHBondContact O-N 3.45Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.39Å
179L89.9Confident89.1Confident116 Ų11667.4 Ų67.461%0.60739%0.388SS*.Hα-helixtrans-60.4-46.3175.4-83.7160000111.8G175 N176 S182G175-L179 PolarHBondContact O-N 2.95Å; G175-L179 VanDerWaalsContact O-N 3.14Å; N176-L179 PolarHBondContact O-N 3.01Å; L179-S182 WeakPolarHBondContact O-CB 3.34Å; L179-S182 PolarHBondContact O-N 2.98Å; L179-S182 PolarHBondContact O-OG 3.43Å
180A89Confident89.3Confident49 Ų4971.2 Ų71.241%0.40541%0.408SS..Hα-helixtrans-64.4-44.4178.900000111.9N176 A177 S182 T183N176-A180 WeakPolarHBondContact O-CB 3.31Å; N176-A180 PolarHBondContact O-N 3.34Å; A177-A180 PolarHBondContact O-N 3.25Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 2.99Å; A180-T183 PolarHBondContact O-N 3.47Å; A180-T183 PolarHBondContact O-OG1 3.38Å
181M87.6Confident89.4Confident62 Ų6272.3 Ų72.331%0.30541%0.413SS..Hα-helixtrans-69.8-25-179.4-67.7-65.5114.900113.2A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.49Å; A177-M181 WeakPolarHBondContact O-CG 3.48Å; A177-M181 PolarHBondContact O-N 2.91Å; T178-M181 PolarHBondContact O-N 3.3Å; M181-T183 PolarHBondContact O-N 3.32Å; M181-T183 VanDerWaalsContact O-N 3.16Å; M181-I184 HydrophobicContact CE-CD1 3.65Å; M181-I184 PolarHBondContact O-N 3.36Å; M181-I184 HydrophobicContact SD-CD1 4.23Å; M181-N185 PolarHBondContact O-N 3.38Å; M181-N185 VanDerWaalsContact O-N 3.08Å; M181-T189 PolarHBondContact O-OG1 2.85Å; M181-T189 VanDerWaalsContact O-OG1 3.08Å; M181-I192 HydrophobicContact CB-CD1 4.21Å; M181-I192 HydrophobicContact CG-CD1 3.67Å
182S87.6Confident89.5Confident65 Ų6572.9 Ų72.946%0.45542%0.416SS..Hα-helixtrans-58.2-29177.376.20000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.36Å; T178-S182 PolarHBondContact O-N 3.45Å; L179-S182 WeakPolarHBondContact O-CB 3.34Å; L179-S182 PolarHBondContact O-N 2.98Å; L179-S182 PolarHBondContact O-OG 3.43Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 2.99Å; S182-T189 WeakPolarHBondContact CA-OG1 3.46Å; S182-T189 PolarHBondContact N-OG1 3.43Å
183T87.1Confident89.7Confident120 Ų12074.7 Ų74.774%0.73642%0.423SS*.THydrogen-bonded Turntrans-81.7-19.4178.567.10000113.7A180 M181A180-T183 PolarHBondContact O-N 3.47Å; A180-T183 PolarHBondContact O-OG1 3.38Å; M181-T183 PolarHBondContact O-N 3.32Å; M181-T183 VanDerWaalsContact O-N 3.16Å
184I87.6Confident89.8Confident106 Ų10673.7 Ų73.754%0.54442%0.421SS..THydrogen-bonded Turntrans-98.5-60.8-173.2-57.5172000110.1M181M181-I184 HydrophobicContact CE-CD1 3.65Å; M181-I184 PolarHBondContact O-N 3.36Å; M181-I184 HydrophobicContact SD-CD1 4.23Å
185N88Confident90Very high94 Ų9476 Ų7650%0.50343%0.433SS..  trans-146.1125.7-172.6-83.6-20.6000111.5M181 S188 T189M181-N185 PolarHBondContact O-N 3.38Å; M181-N185 VanDerWaalsContact O-N 3.08Å; N185-S188 VanDerWaalsContact CB-OG 3.27Å; N185-S188 WeakPolarHBondContact CB-OG 3.43Å; N185-S188 PolarHBondContact O-OG 3.08Å; N185-T189 PolarHBondContact O-N 2.88Å; N185-T189 PolarHBondContact O-OG1 3.25Å
186L87.5Confident90.1Very high150 Ų15076.8 Ų76.879%0.78543%0.433SS*.Hα-helixtrans-62.7-45.4177.3-156.392.7000114.4S188 T189 L190L186-S188 PolarHBondContact O-N 2.86Å; L186-T189 WeakPolarHBondContact O-CB 3.37Å; L186-T189 PolarHBondContact O-N 2.98Å; L186-L190 PolarHBondContact O-N 2.79Å
187P89Confident90.3Very high95 Ų9577 Ų7762%0.61743%0.434SS*.Hα-helixtrans-69.1-37-174.425.3-33.2000112.9T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 2.6Å; P187-L190 PolarHBondContact O-N 3.32Å; P187-I191 PolarHBondContact O-N 3.39Å
188S87.3Confident90.6Very high39 Ų3981 Ų8127%0.27345%0.449SS..Hα-helixtrans-67-34.6174.651.60000112.1N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.27Å; N185-S188 WeakPolarHBondContact CB-OG 3.43Å; N185-S188 PolarHBondContact O-OG 3.08Å; L186-S188 PolarHBondContact O-N 2.86Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.97Å; S188-I191 PolarHBondContact O-N 3.28Å; S188-I192 WeakPolarHBondContact O-CG1 3.36Å; S188-I192 PolarHBondContact O-N 2.87Å; S188-I192 VanDerWaalsContact O-N 3.15Å
189T91.9Very high90.7Very high24 Ų2481.1 Ų81.115%0.14745%0.449CS..Hα-helixtrans-62.4-41.4175.8-59.10000111.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.85Å; M181-T189 VanDerWaalsContact O-OG1 3.08Å; S182-T189 WeakPolarHBondContact CA-OG1 3.46Å; S182-T189 PolarHBondContact N-OG1 3.43Å; N185-T189 PolarHBondContact O-N 2.88Å; N185-T189 PolarHBondContact O-OG1 3.25Å; L186-T189 WeakPolarHBondContact O-CB 3.37Å; L186-T189 PolarHBondContact O-N 2.98Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 2.6Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.08Å; T189-I192 PolarHBondContact O-N 3.08Å; T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.26Å; T189-F193 PolarHBondContact O-N 3.41Å
190L91.4Very high90.8Very high121 Ų12178.1 Ų78.163%0.63444%0.435SS*.Hα-helixtrans-59.4-42.9177.4-159.689.7000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.79Å; P187-L190 PolarHBondContact O-N 3.32Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.97Å; L190-F193 PolarHBondContact O-N 3.14Å; L190-T194 VanDerWaalsContact O-CG2 3.3Å; L190-T194 WeakPolarHBondContact O-CG2 3.29Å; L190-T194 PolarHBondContact O-N 3.28Å
191I92.9Very high91Very high104 Ų10480.6 Ų80.653%0.53344%0.441SS..Hα-helixtrans-63.9-45.4179.1-62.7166.3000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.39Å; S188-I191 PolarHBondContact O-N 3.28Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.08Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.19Å; I191-T194 PolarHBondContact O-N 3.05Å; I191-T194 PolarHBondContact O-OG1 3.44Å; I191-I195 HydrophobicContact CG2-CD1 4.35Å; I191-I195 WeakPolarHBondContact O-CG1 3.45Å; I191-I195 PolarHBondContact O-N 2.97Å
192I93.1Very high91.2Very high42 Ų4282.4 Ų82.422%0.21545%0.451CS..Hα-helixtrans-70.2-33.5-179.9-57.2167.4000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.79Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.39Å; M181-I192 HydrophobicContact CB-CD1 4.21Å; M181-I192 HydrophobicContact CG-CD1 3.67Å; S188-I192 WeakPolarHBondContact O-CG1 3.36Å; S188-I192 PolarHBondContact O-N 2.87Å; S188-I192 VanDerWaalsContact O-N 3.15Å; T189-I192 PolarHBondContact O-N 3.08Å; I192-I195 WeakPolarHBondContact O-CB 3.24Å; I192-I195 PolarHBondContact O-N 2.95Å; I192-L196 PolarHBondContact O-N 2.8Å
193F92.8Very high91.4Very high107 Ų10779.9 Ų79.947%0.46943%0.432SS..Hα-helixtrans-66-38.7175-173.7-105.9000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.26Å; T189-F193 PolarHBondContact O-N 3.41Å; L190-F193 PolarHBondContact O-N 3.14Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.19Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.37Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.49Å; F193-L196 PolarHBondContact O-N 2.96Å; F193-I197 HydrophobicContact CD1-CD1 3.83Å; F193-I197 HydrophobicContact CE1-CD1 3.48Å; F193-I197 VanDerWaalsContact CE1-CD1 3.48Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.09Å; F193-I197 HydrophobicContact CZ-CG1 4.46Å; F193-I197 PolarHBondContact O-N 2.95Å; F193-I197 VanDerWaalsContact O-N 3.08Å
194T93.7Very high91.6Very high74 Ų7478.2 Ų78.245%0.45442%0.418SS..Hα-helixtrans-64.8-37.4173.463.30000111.8L190 I191 L196 I197 L198L190-T194 VanDerWaalsContact O-CG2 3.3Å; L190-T194 WeakPolarHBondContact O-CG2 3.29Å; L190-T194 PolarHBondContact O-N 3.28Å; I191-T194 PolarHBondContact O-N 3.05Å; I191-T194 PolarHBondContact O-OG1 3.44Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-I197 PolarHBondContact O-N 3.43Å; T194-L198 PolarHBondContact O-N 3.38Å
195I94.4Very high91.8Very high82 Ų8275.4 Ų75.442%0.42141%0.41SS..Hα-helixtrans-61.9-42.1173-65.3166.9000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.02Å; I191-I195 HydrophobicContact CG2-CD1 4.35Å; I191-I195 WeakPolarHBondContact O-CG1 3.45Å; I191-I195 PolarHBondContact O-N 2.97Å; I192-I195 WeakPolarHBondContact O-CB 3.24Å; I192-I195 PolarHBondContact O-N 2.95Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.37Å; I195-I197 PolarHBondContact O-N 3.44Å; I195-L198 PolarHBondContact O-N 3Å; I195-L199 WeakPolarHBondContact O-CB 3.25Å; I195-L199 PolarHBondContact O-N 3.47Å
196L93.5Very high92Very high32 Ų3272.7 Ų72.717%0.16840%0.397CS..Hα-helixtrans-59.5-45176.3-177.166.2000111.5I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 PolarHBondContact O-N 2.8Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.49Å; F193-L196 PolarHBondContact O-N 2.96Å; T194-L196 VanDerWaalsContact C-N 3.34Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.13Å; L196-L199 WeakPolarHBondContact O-CB 3.15Å; L196-L199 PolarHBondContact O-N 2.98Å; L196-T200 WeakPolarHBondContact O-CG2 3.42Å; L196-T200 PolarHBondContact O-N 3.43Å
197I93.1Very high92.1Very high78 Ų7865.7 Ų65.740%0.436%0.361SS..Hα-helixtrans-62.4-42.7176.5-66.9164.5000111.1F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.83Å; F193-I197 HydrophobicContact CE1-CD1 3.48Å; F193-I197 VanDerWaalsContact CE1-CD1 3.48Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.09Å; F193-I197 HydrophobicContact CZ-CG1 4.46Å; F193-I197 PolarHBondContact O-N 2.95Å; F193-I197 VanDerWaalsContact O-N 3.08Å; T194-I197 PolarHBondContact O-N 3.43Å; I195-I197 PolarHBondContact O-N 3.44Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.36Å; I197-T200 PolarHBondContact O-N 3.4Å; I197-T200 PolarHBondContact O-OG1 3.02Å; I197-I201 HydrophobicContact CG2-CD1 4.15Å; I197-I201 WeakPolarHBondContact O-CG1 3.04Å; I197-I201 PolarHBondContact O-N 3.1Å
198L94.9Very high92.1Very high122 Ų12266.1 Ų66.164%0.63936%0.357SS*.Hα-helixtrans-62.9-39.7178.2-175.164.6000111.4T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.38Å; I195-L198 PolarHBondContact O-N 3Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.13Å; L198-I201 PolarHBondContact O-N 3.2Å; L198-L202 PolarHBondContact O-N 2.88Å
199L93.5Very high92.3Very high22 Ų2268.9 Ų68.912%0.11537%0.368CS..Hα-helixtrans-64.3-42176.8-178.272.1000112.2L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.33Å; L170-L199 HydrophobicContact CD2-CD1 3.73Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.1Å; L170-L199 HydrophobicContact CG-CD2 4.36Å; M171-L199 HydrophobicContact CB-CD2 4.28Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.11Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å; I195-L199 WeakPolarHBondContact O-CB 3.25Å; I195-L199 PolarHBondContact O-N 3.47Å; L196-L199 WeakPolarHBondContact O-CB 3.15Å; L196-L199 PolarHBondContact O-N 2.98Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.36Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.03Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.24Å; L199-L202 PolarHBondContact O-N 2.83Å; L199-E203 PolarHBondContact O-N 3.19Å
200T91.4Very high92.2Very high52 Ų5268.1 Ų68.132%0.31936%0.363SS..Hα-helixtrans-64.2-38.1178.160.10000111.6M171 L196 I197 L202 E203 I204M171-T200 HydrophobicContact SD-CG2 3.89Å; L196-T200 WeakPolarHBondContact O-CG2 3.42Å; L196-T200 PolarHBondContact O-N 3.43Å; I197-T200 PolarHBondContact O-N 3.4Å; I197-T200 PolarHBondContact O-OG1 3.02Å; T200-L202 VanDerWaalsContact C-N 3.35Å; T200-E203 PolarHBondContact O-N 3.33Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.46Å; T200-I204 PolarHBondContact O-N 2.89Å
201I92.8Very high92.1Very high102 Ų10262.4 Ų62.452%0.52333%0.333SS..Hα-helixtrans-62.5-43.7174-65.3167000110.8I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.15Å; I197-I201 WeakPolarHBondContact O-CG1 3.04Å; I197-I201 PolarHBondContact O-N 3.1Å; L198-I201 PolarHBondContact O-N 3.2Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.03Å; I201-E203 VanDerWaalsContact C-N 3.34Å; I201-E203 PolarHBondContact O-N 3.44Å; I201-I204 PolarHBondContact O-N 3.2Å; I201-A205 PolarHBondContact O-N 3.03Å
202L92.1Very high92Very high100 Ų10062.3 Ų62.352%0.52433%0.327SS..Hα-helixtrans-59.8-45.7176.1179.968000111L198 L199 T200 I204 A205 V206L198-L202 PolarHBondContact O-N 2.88Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.24Å; L199-L202 PolarHBondContact O-N 2.83Å; T200-L202 VanDerWaalsContact C-N 3.35Å; L202-I204 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 2.92Å; L202-A205 WeakPolarHBondContact O-CB 3.37Å; L202-A205 PolarHBondContact O-N 3.49Å; L202-A205 VanDerWaalsContact O-N 3.1Å; L202-V206 HydrophobicContact CD1-CG2 4.39Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 2.95Å
203E91.1Very high91.8Very high12 Ų1262.4 Ų62.46%0.05633%0.329CS..Hα-helixtrans-67.1-35.9-176.9-161.965.5-162.100112.2L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.46Å; L87-E203 HydrophobicContact CD2-CB 4.13Å; L87-E203 HydrophobicContact CD2-CG 3.38Å; G167-E203 WeakPolarHBondContact CA-OE2 3.31Å; M171-E203 HydrophobicContact CE-CG 4.15Å; L199-E203 PolarHBondContact O-N 3.19Å; T200-E203 PolarHBondContact O-N 3.33Å; I201-E203 VanDerWaalsContact C-N 3.34Å; I201-E203 PolarHBondContact O-N 3.44Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.44Å; E203-V206 PolarHBondContact O-N 3.32Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.46Å; E203-A207 PolarHBondContact O-N 3.21Å
204I91.1Very high91.6Very high85 Ų8557.3 Ų57.344%0.43631%0.307SS..Hα-helixtrans-59.1-43.3171.3-67.7164.9000110.7L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD2-CG2 4.28Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.6Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.46Å; T200-I204 PolarHBondContact O-N 2.89Å; I201-I204 PolarHBondContact O-N 3.2Å; L202-I204 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 2.92Å; I204-L208 PolarHBondContact O-N 2.92Å
205A92.1Very high91.4Very high46 Ų4653.8 Ų53.838%0.3829%0.285SS..Hα-helixtrans-66.1-45.6177.300000111.6I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.03Å; L202-A205 WeakPolarHBondContact O-CB 3.37Å; L202-A205 PolarHBondContact O-N 3.49Å; L202-A205 VanDerWaalsContact O-N 3.1Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.44Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.06Å; A205-L208 PolarHBondContact O-N 3.49Å; A205-I209 WeakPolarHBondContact O-CB 3.46Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.43Å; A205-I209 PolarHBondContact O-N 2.78Å
206V91.9Very high91.1Very high38 Ų3852.8 Ų52.823%0.2328%0.28CS..Hα-helixtrans-61.1-42.2178.2173.10000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.1Å; L202-V206 HydrophobicContact CD1-CG2 4.39Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 2.95Å; E203-V206 PolarHBondContact O-N 3.32Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 2.63Å; V206-I209 PolarHBondContact O-N 3Å; V206-Q210 WeakPolarHBondContact O-CB 3.29Å; V206-Q210 PolarHBondContact O-N 3.13Å
207A89.4Confident90.8Very high3 Ų353 Ų533%0.02528%0.281CS..Hα-helixtrans-57.5-42.6178.200000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.89Å; L87-A207 HydrophobicContact CD1-CB 4.13Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.46Å; E203-A207 PolarHBondContact O-N 3.21Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.06Å; A207-A211 PolarHBondContact O-N 3.39Å
208L89.5Confident90.4Very high103 Ų10349.5 Ų49.554%0.53926%0.264SS..Hα-helixtrans-75.1-44.9179.3-167.8153.1000111.7I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.92Å; A205-L208 PolarHBondContact O-N 3.49Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 2.63Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.4Å; L208-A211 PolarHBondContact O-N 3.39Å; L208-Y212 PolarHBondContact O-N 3.21Å; L208-Y212 VanDerWaalsContact O-N 3.13Å
209I91.1Very high90Very high98 Ų9844.3 Ų44.350%0.50324%0.237SC..Hα-helixtrans-60.6-40.8177.9-68.6166.6000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.46Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.43Å; A205-I209 PolarHBondContact O-N 2.78Å; V206-I209 PolarHBondContact O-N 3Å; I209-A211 PolarHBondContact O-N 2.95Å; I209-Y212 WeakPolarHBondContact O-CB 3.49Å; I209-Y212 PolarHBondContact O-N 3.37Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.42Å; I209-V213 PolarHBondContact O-N 3.43Å
210Q89.7Confident89.6Confident8 Ų846.9 Ų46.94%0.03725%0.251CS..Hα-helixtrans-66.1-38.2-178.4-173.562.29.400112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.31Å; L160-Q210 HydrophobicContact CB-CG 4.11Å; L160-Q210 HydrophobicContact CD1-CG 3.78Å; L160-Q210 HydrophobicContact CG-CG 3.72Å; L160-Q210 VanDerWaalsContact N-NE2 3.11Å; V206-Q210 WeakPolarHBondContact O-CB 3.29Å; V206-Q210 PolarHBondContact O-N 3.13Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.4Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Q210-F214 VanDerWaalsContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CB 3.45Å; Q210-F214 PolarHBondContact O-N 2.93Å
211A90Very high89.1Confident1 Ų145.2 Ų45.21%0.00824%0.239CC..Hα-helixtrans-62-43.6172.300000111.4I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.45Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.72Å; A80-A211 HydrophobicContact CB-CB 3.92Å; A207-A211 PolarHBondContact O-N 3.39Å; L208-A211 PolarHBondContact O-N 3.39Å; I209-A211 PolarHBondContact O-N 2.95Å; A211-T215 VanDerWaalsContact O-CG2 3.28Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 3.49Å; A211-T215 PolarHBondContact O-OG1 2.87Å; A211-T215 VanDerWaalsContact O-OG1 3.11Å
212Y90.1Very high88.6Confident101 Ų10140.4 Ų40.440%0.39621%0.214SC..Hα-helixtrans-63.4-50.7177177.8-101.3000112.5M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.27Å; M57-Y212 HydrophobicContact CE-CE2 4.41Å; I76-Y212 HydrophobicContact CD1-CD2 4.14Å; L208-Y212 PolarHBondContact O-N 3.21Å; L208-Y212 VanDerWaalsContact O-N 3.13Å; I209-Y212 WeakPolarHBondContact O-CB 3.49Å; I209-Y212 PolarHBondContact O-N 3.37Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.08Å; Y212-T215 PolarHBondContact O-N 3.28Å; Y212-T215 PolarHBondContact O-OG1 3.42Å; Y212-L216 HydrophobicContact CE1-CD1 3.61Å; Y212-L216 HydrophobicContact CE2-CD1 4.48Å; Y212-L216 VanDerWaalsContact O-CB 3.31Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.47Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.48Å
213V90.4Very high88.1Confident44 Ų4439.8 Ų39.827%0.26721%0.208SC..Hα-helixtrans-61.7-38.8180171.90000111.4I209 L217I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.42Å; I209-V213 PolarHBondContact O-N 3.43Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.35Å; V213-L217 PolarHBondContact O-N 3.35Å; V213-L217 VanDerWaalsContact O-N 3.07Å
214F88.1Confident87.5Confident1 Ų142.7 Ų42.70%0.00422%0.224CC..Hα-helixtrans-58.5-52.6176.7-174.6-73.5000111L75 I79 M104 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.45Å; L75-F214 HydrophobicContact CD2-CD1 3.58Å; L75-F214 HydrophobicContact CD2-CE1 3.5Å; L75-F214 VanDerWaalsContact CD2-CE1 3.5Å; L75-F214 HydrophobicContact CG-CE1 4.37Å; I79-F214 HydrophobicContact CD1-CB 4.35Å; I79-F214 HydrophobicContact CD1-CD1 3.52Å; I79-F214 HydrophobicContact CD1-CD2 4.38Å; I79-F214 HydrophobicContact CD1-CE1 3.82Å; I79-F214 HydrophobicContact CD1-CG 3.84Å; I79-F214 HydrophobicContact CD1-CZ 4.36Å; M104-F214 HydrophobicContact CB-CZ 4.46Å; A105-F214 HydrophobicContact CB-CE2 4.32Å; A105-F214 HydrophobicContact CB-CZ 4.11Å; L108-F214 HydrophobicContact CD1-CE1 4.19Å; L156-F214 HydrophobicContact CD1-CD2 4.26Å; L156-F214 HydrophobicContact CD1-CG 4.47Å; L156-F214 HydrophobicContact CD2-CD1 4.02Å; L156-F214 HydrophobicContact CD2-CD2 3.33Å; L156-F214 HydrophobicContact CD2-CE1 3.89Å; L156-F214 HydrophobicContact CD2-CE2 3.17Å; L156-F214 HydrophobicContact CD2-CG 3.77Å; L156-F214 HydrophobicContact CD2-CZ 3.48Å; L156-F214 VanDerWaalsContact CD2-CZ 3.48Å; L156-F214 HydrophobicContact CG-CD2 3.47Å; L156-F214 VanDerWaalsContact CG-CD2 3.47Å; L156-F214 HydrophobicContact CG-CE2 3.69Å; L156-F214 HydrophobicContact CG-CG 4.09Å; L156-F214 HydrophobicContact CG-CZ 4.46Å; L160-F214 HydrophobicContact CD1-CB 4.45Å; L160-F214 HydrophobicContact CD1-CD2 3.96Å; L160-F214 HydrophobicContact CD1-CG 4.47Å; Q210-F214 VanDerWaalsContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CB 3.45Å; Q210-F214 PolarHBondContact O-N 2.93Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.08Å; F214-L217 PolarHBondContact O-N 3.46Å; F214-V218 HydrophobicContact CD1-CG2 4.29Å; F214-V218 HydrophobicContact CE1-CG2 4.07Å; F214-V218 WeakPolarHBondContact O-CG2 3.45Å; F214-V218 PolarHBondContact O-N 3.32Å
215T89.3Confident86.7Confident0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-70.1-36-176.858.20000112.7M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.36Å; L75-T215 HydrophobicContact CB-CG2 4.27Å; L75-T215 HydrophobicContact CD2-CG2 3.43Å; L75-T215 VanDerWaalsContact CD2-CG2 3.43Å; L75-T215 HydrophobicContact CG-CG2 4.1Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.47Å; I76-T215 VanDerWaalsContact CB-CG2 3.47Å; I76-T215 HydrophobicContact CG1-CG2 4.09Å; A211-T215 VanDerWaalsContact O-CG2 3.28Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 3.49Å; A211-T215 PolarHBondContact O-OG1 2.87Å; A211-T215 VanDerWaalsContact O-OG1 3.11Å; Y212-T215 PolarHBondContact O-N 3.28Å; Y212-T215 PolarHBondContact O-OG1 3.42Å; T215-V218 PolarHBondContact O-N 3.23Å; T215-S219 WeakPolarHBondContact O-CB 3.43Å; T215-S219 PolarHBondContact O-N 3.48Å
216L88.3Confident85.6Confident60 Ų6039.8 Ų39.831%0.31421%0.205SC..Hα-helixtrans-62.2-45175.6-175.1149.5000111.3Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.61Å; Y212-L216 HydrophobicContact CE2-CD1 4.48Å; Y212-L216 VanDerWaalsContact O-CB 3.31Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.47Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.48Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.19Å; L216-S219 PolarHBondContact O-N 3.15Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 3.24Å; L216-L220 PolarHBondContact O-N 3Å
217L86.5Confident85.3Confident37 Ų3739.9 Ų39.919%0.19420%0.204CC..Hα-helixtrans-63.4-42.8177.8-76.2167.3000111.7L156 R159 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.84Å; L156-L217 HydrophobicContact CD1-CD1 3.36Å; L156-L217 HydrophobicContact CD1-CG 4.23Å; R159-L217 VanDerWaalsContact NH1-CD1 3.33Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.35Å; V213-L217 PolarHBondContact O-N 3.35Å; V213-L217 VanDerWaalsContact O-N 3.07Å; F214-L217 PolarHBondContact O-N 3.46Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.82Å; L217-L220 PolarHBondContact O-N 3.08Å; L217-L220 VanDerWaalsContact O-N 3.17Å; L217-Y221 HydrophobicContact CB-CE2 4.16Å; L217-Y221 WeakPolarHBondContact O-CD2 3.44Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 PolarHBondContact O-N 3.16Å
218V85.9Confident85Confident5 Ų541.8 Ų41.83%0.0321%0.213CC..Hα-helixtrans-59.5-40.9173.1177.70000111.3L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.23Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å; L108-V218 HydrophobicContact CB-CG1 4.28Å; L156-V218 HydrophobicContact CD2-CG2 4.32Å; F214-V218 HydrophobicContact CD1-CG2 4.29Å; F214-V218 HydrophobicContact CE1-CG2 4.07Å; F214-V218 WeakPolarHBondContact O-CG2 3.45Å; F214-V218 PolarHBondContact O-N 3.32Å; T215-V218 PolarHBondContact O-N 3.23Å; V218-Y221 PolarHBondContact O-N 2.95Å; V218-L222 PolarHBondContact O-N 3.29Å
219S86.3Confident84.8Confident12 Ų1238.4 Ų38.48%0.08420%0.195CC..Hα-helixtrans-66-37.5176.886.10000112.1H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-O 3.37Å; H61-S219 PolarHBondContact NE2-O 3.18Å; T215-S219 WeakPolarHBondContact O-CB 3.43Å; T215-S219 PolarHBondContact O-N 3.48Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.19Å; L216-S219 PolarHBondContact O-N 3.15Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 3.24Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.82Å; S219-L222 WeakPolarHBondContact O-CB 3.32Å; S219-L222 PolarHBondContact O-N 2.89Å; S219-H223 PolarHBondContact O-N 3.31Å
220L84.7Confident84.4Confident77 Ų7734.9 Ų34.940%0.40318%0.177SC..Hα-helixtrans-67-42177-169.2150.2000110.8L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3Å; L217-L220 PolarHBondContact O-N 3.08Å; L217-L220 VanDerWaalsContact O-N 3.17Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.32Å; L220-H223 WeakPolarHBondContact O-CA 3.47Å; L220-H223 WeakPolarHBondContact O-CB 3.43Å; L220-H223 PolarHBondContact O-N 3Å; L220-H223 VanDerWaalsContact O-N 3.08Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.27Å; L220-D224 PolarHBondContact O-N 3.03Å
221Y80.6Confident84.1Confident17 Ų1736.6 Ų36.67%0.06719%0.186CC..Hα-helixtrans-60.7-38.3172.4-59.7-45.7000112.5Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.34Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.37Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.29Å; Q152-Y221 PolarHBondContact NE2-OH 2.81Å; Q152-Y221 PolarHBondContact OE1-OH 3.39Å; L217-Y221 HydrophobicContact CB-CE2 4.16Å; L217-Y221 WeakPolarHBondContact O-CD2 3.44Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 PolarHBondContact O-N 3.16Å; V218-Y221 PolarHBondContact O-N 2.95Å; Y221-H223 VanDerWaalsContact C-N 3.33Å; Y221-N225 WeakPolarHBondContact O-CB 3.4Å; Y221-N225 PolarHBondContact O-N 3.08Å; Y221-N225 VanDerWaalsContact O-N 3.15Å; Y221-N225 PolarHBondContact O-ND2 3.48Å
222L82.1Confident83.7Confident1 Ų139 Ų391%0.00520%0.197CC..Hα-helixtrans-64.4-42.7175.1-170.572.4000110.7W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.59Å; W68-L222 HydrophobicContact CD2-CD2 3.95Å; W68-L222 HydrophobicContact CD2-CG 4.43Å; W68-L222 HydrophobicContact CE3-CD1 3.65Å; W68-L222 HydrophobicContact CE3-CD2 4.12Å; W68-L222 HydrophobicContact CE3-CG 4.45Å; W68-L222 HydrophobicContact CG-CD1 4.02Å; W68-L222 HydrophobicContact CG-CD2 3.62Å; W68-L222 HydrophobicContact CG-CG 4.49Å; W68-L222 HydrophobicContact CZ2-CD1 4.39Å; W68-L222 HydrophobicContact CZ3-CD1 4.12Å; M115-L222 HydrophobicContact SD-CD1 4.26Å; V218-L222 PolarHBondContact O-N 3.29Å; S219-L222 WeakPolarHBondContact O-CB 3.32Å; S219-L222 PolarHBondContact O-N 2.89Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.32Å; L222-N225 PolarHBondContact O-N 3.29Å; L222-T226 HydrophobicContact CD1-CG2 4.26Å; L222-T226 HydrophobicContact CG-CG2 4.21Å; L222-T226 WeakPolarHBondContact O-CB 3.43Å; L222-T226 WeakPolarHBondContact O-CG2 3.28Å; L222-T226 PolarHBondContact O-N 3.41Å; L222-T226 VanDerWaalsContact O-N 3.09Å; L222-T226 PolarHBondContact O-OG1 3.5Å
223H81.9Confident83.2Confident86 Ų8634.6 Ų34.640%0.39818%0.183SC..Hα-helixtrans-58.5-51.6176.7-175.284.6000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.09Å; M60-H223 PolarHBondContact O-ND1 2.99Å; S219-H223 PolarHBondContact O-N 3.31Å; L220-H223 WeakPolarHBondContact O-CA 3.47Å; L220-H223 WeakPolarHBondContact O-CB 3.43Å; L220-H223 PolarHBondContact O-N 3Å; L220-H223 VanDerWaalsContact O-N 3.08Å; Y221-H223 VanDerWaalsContact C-N 3.33Å; H223-N225 PolarHBondContact O-N 3.48Å; H223-T226 PolarHBondContact O-N 3.36Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 3.25Å
224D78.4Confident82.7Confident73 Ų7333.8 Ų33.839%0.3918%0.177SC..Hα-helixtrans-60.9-31.4-179.2-65.2-14.6000112.6L220L220-D224 WeakPolarHBondContact CD2-OD2 3.27Å; L220-D224 PolarHBondContact O-N 3.03Å
225N73.8Confident82.2Confident33 Ų3336.6 Ų36.618%0.17619%0.191CC..Hα-helixtrans-90.8-3.7-179.8-74.8-68.1000114.3G116 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.25Å; G116-N225 WeakPolarHBondContact CA-O 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.4Å; Y221-N225 PolarHBondContact O-N 3.08Å; Y221-N225 VanDerWaalsContact O-N 3.15Å; Y221-N225 PolarHBondContact O-ND2 3.48Å; L222-N225 PolarHBondContact O-N 3.29Å; H223-N225 PolarHBondContact O-N 3.48Å
226T69.1Low81.6Confident38 Ų3839.9 Ų39.923%0.23321%0.209CC..  trans-106.60-178.155.80000114.9M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.39Å; K120-T226 WeakPolarHBondContact CE-O 3.17Å; K120-T226 VanDerWaalsContact NZ-C 3.32Å; K120-T226 PolarHBondContact NZ-O 2.96Å; K120-T226 PolarHBondContact NZ-OXT 3.18Å; L222-T226 HydrophobicContact CD1-CG2 4.26Å; L222-T226 HydrophobicContact CG-CG2 4.21Å; L222-T226 WeakPolarHBondContact O-CB 3.43Å; L222-T226 WeakPolarHBondContact O-CG2 3.28Å; L222-T226 PolarHBondContact O-N 3.41Å; L222-T226 VanDerWaalsContact O-N 3.09Å; L222-T226 PolarHBondContact O-OG1 3.5Å; H223-T226 PolarHBondContact O-N 3.36Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 3.25Å

Retrieved 226 of 226 residues in 44.4 ms (Link to these results)

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