A0A023I8R5_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023I8R5, 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
1M55.7Low73.6Confident199 Ų19998.7 Ų98.798%0.9853%0.532SS*.  0-36.90-75.7173.4114.200112.8E3 N4M1-E3 PolarHBondContact O-N 3.41Å; M1-N4 PolarHBondContact O-N 3.3Å
2N52.9Low74.4Confident142 Ų14293.7 Ų93.776%0.75951%0.509SS*.Hα-helixtrans-59-39.3-178.2-83.419.7000115.3
3E60.8Low75.3Confident162 Ų16293.9 Ų93.976%0.75752%0.515SS*.Hα-helixtrans-79.4-20.8-178-61.4-136.8153.900113.8M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.41Å; E3-L5 VanDerWaalsContact C-N 3.26Å; E3-L5 PolarHBondContact O-N 3.35Å; E3-F6 PolarHBondContact O-N 3.38Å; E3-A7 PolarHBondContact O-N 3.35Å; E3-A7 VanDerWaalsContact O-N 3.11Å
4N74.4Confident76.1Confident116 Ų11696.1 Ų96.162%0.6252%0.524SS*.Hα-helixtrans-69.3-27.9-176.9-65.47.7000112M1M1-N4 PolarHBondContact O-N 3.3Å
5L75.1Confident76.5Confident46 Ų46100.4 Ų100.424%0.24155%0.545CS..Hα-helixtrans-68.9-36.8177.8-68.1177.6000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.26Å; E3-L5 PolarHBondContact O-N 3.35Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.38Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.12Å; L5-L173 HydrophobicContact CD1-CD2 4.16Å; L5-L173 HydrophobicContact CD2-CD2 4.34Å
6F81.8Confident77Confident117 Ų117101.4 Ų101.451%0.51356%0.562SS.*Hα-helixtrans-93.2-9.4-176.8-66.2-75.4000113.6E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.38Å; F6-S8 PolarHBondContact O-N 3.13Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 HydrophobicContact CD1-CD2 4.01Å; F6-F9 HydrophobicContact CD1-CE2 4.38Å; F6-F9 PolarHBondContact O-N 3Å; F6-L169 HydrophobicContact CD1-CD2 4.41Å; F6-L169 HydrophobicContact CE1-CD1 4.14Å; F6-L169 HydrophobicContact CE1-CD2 4.05Å
7A79.4Confident77.4Confident54 Ų54102.5 Ų102.545%0.44657%0.566SS.*G310 helixtrans-55-32.6179.900000113.2E3 F9 I10E3-A7 PolarHBondContact O-N 3.35Å; E3-A7 VanDerWaalsContact O-N 3.11Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 3.3Å; A7-I10 PolarHBondContact O-N 2.86Å
8S79.5Confident77.7Confident59 Ų59101.1 Ų101.141%0.41356%0.562SS.*G310 helixtrans-68.9-20.9176.8570000114.1F6 F92F6-S8 PolarHBondContact O-N 3.13Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 3.26Å
9F82.7Confident78.1Confident23 Ų2396.7 Ų96.710%0.10154%0.541CS..G310 helixtrans-93.4-10.3178.4-58.4-70.1000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CD1-CD2 4.01Å; F6-F9 HydrophobicContact CD1-CE2 4.38Å; F6-F9 PolarHBondContact O-N 3Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 3.3Å; F9-A11 PolarHBondContact O-N 3.16Å; F9-T96 HydrophobicContact CD1-CG2 3.88Å; F9-T96 HydrophobicContact CE1-CG2 3.75Å; F9-Q97 PolarHBondContact O-NE2 3.28Å; F9-T165 HydrophobicContact CD1-CG2 4.45Å; F9-T165 HydrophobicContact CE1-CG2 4.17Å; F9-H168 HydrophobicContact CE1-CB 4.1Å; F9-H168 HydrophobicContact CZ-CB 3.82Å; F9-L169 HydrophobicContact CE2-CD1 4.46Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.92Å
10I84.4Confident78.5Confident116 Ų11692.9 Ų92.960%0.59552%0.522SS*.SBendtrans-69129.5178.1-59.1175.8000108.4A7 P12A7-I10 PolarHBondContact O-N 2.86Å; I10-P12 WeakPolarHBondContact O-CD 3.41Å
11A83.1Confident78.8Confident52 Ų5292.4 Ų92.443%0.4352%0.521SS..PPolyproline II helixtrans-58.5121.7-179.600000110.2F9 T13F9-A11 PolarHBondContact O-N 3.16Å; A11-T13 PolarHBondContact O-N 3.38Å
12P83.6Confident80.3Confident38 Ų3888.9 Ų88.925%0.24751%0.505CS..PPolyproline II helixtrans-70.9128.2-174.426.8-33.2000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.41Å; P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.15Å; P12-A19 PolarHBondContact O-N 3.44Å; P12-I23 HydrophobicContact CG-CD1 3.56Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.11Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.08Å
13T86Confident81.9Confident97 Ų9784.5 Ų84.560%0.59548%0.481SS*.EExtended strand (participates in β ladder)trans-117.9123.8170.654.40000108.7A11 L17A11-T13 PolarHBondContact O-N 3.38Å; T13-L17 CarbonylContact C-O 3.53Å; T13-L17 VanDerWaalsContact CA-O 3.24Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å
14I86.3Confident83.2Confident125 Ų12579.2 Ų79.264%0.64146%0.458SS*.EExtended strand (participates in β ladder)trans-105.8123174.1-65.2170.8000106.2S16 L17 A19I14-S16 PolarHBondContact O-N 2.95Å; I14-L17 PolarHBondContact N-O 3.38Å; I14-L17 WeakPolarHBondContact O-CB 3.45Å; I14-L17 PolarHBondContact O-N 2.92Å; I14-A19 HydrophobicContact CB-CB 4.44Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.9Å
15L82.6Confident83.8Confident160 Ų16079.3 Ų79.384%0.83846%0.458SS*.THydrogen-bonded Turntrans52.740.5177.5-148.596.6000112.7L17L15-L17 PolarHBondContact O-N 3.4Å
16S83.1Confident84.5Confident116 Ų11681.6 Ų81.681%0.81147%0.466SS*.THydrogen-bonded Turntrans65.8-0-173.572.60000117.3I14I14-S16 PolarHBondContact O-N 2.95Å
17L83.7Confident84.8Confident120 Ų12076.2 Ų76.263%0.62844%0.442SS*.EExtended strand (participates in β ladder)trans-89.2141.2171.7-68.5167.7000111T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.53Å; T13-L17 VanDerWaalsContact CA-O 3.24Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å; I14-L17 PolarHBondContact N-O 3.38Å; I14-L17 WeakPolarHBondContact O-CB 3.45Å; I14-L17 PolarHBondContact O-N 2.92Å; L15-L17 PolarHBondContact O-N 3.4Å; L17-A19 PolarHBondContact O-N 2.95Å
18P84.2Confident85.1Confident78 Ų7876.9 Ų76.951%0.50644%0.443SS..EExtended strand (participates in β ladder)trans-71102.3178.828.9-33.3000110.6A20 V21P18-A20 PolarHBondContact O-N 3.29Å; P18-V21 HydrophobicContact CG-CG2 4.32Å; P18-V21 PolarHBondContact O-N 3.01Å
19A85.6Confident85.5Confident18 Ų1880.6 Ų80.615%0.14946%0.457CS..THydrogen-bonded Turntrans-70.3-15.817700000112.4P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.15Å; P12-A19 PolarHBondContact O-N 3.44Å; I14-A19 HydrophobicContact CB-CB 4.44Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.9Å; L17-A19 PolarHBondContact O-N 2.95Å; A19-V21 PolarHBondContact O-N 3Å; A19-L22 PolarHBondContact O-N 3.18Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A19-I23 PolarHBondContact O-N 3.1Å
20A85.6Confident85.7Confident20 Ų2083.2 Ų83.217%0.16547%0.472CS..Hα-helixtrans-53.3-34.5173.600000113.1P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.29Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 2.86Å; A20-I23 PolarHBondContact O-N 2.96Å; A20-I24 WeakPolarHBondContact O-CD1 3.46Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.29Å; A20-F92 HydrophobicContact CB-CE1 4.43Å
21V85.3Confident85.9Confident82 Ų8280.3 Ų80.350%0.49746%0.457SS..Hα-helixtrans-63.1-42178.9-179.60000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.32Å; P18-V21 PolarHBondContact O-N 3.01Å; A19-V21 PolarHBondContact O-N 3Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.06Å; V21-I24 PolarHBondContact O-N 3.47Å; V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 3.33Å; V21-L25 PolarHBondContact O-N 2.92Å; V21-L25 VanDerWaalsContact O-N 3.09Å
22L86.1Confident86.1Confident126 Ų12680.6 Ų80.666%0.6645%0.454SS*.Hα-helixtrans-66-39179.1-168.2147.2000111A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.18Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 2.86Å; L22-L25 PolarHBondContact O-N 2.96Å; L22-F26 PolarHBondContact O-N 3.47Å
23I87.5Confident86.2Confident50 Ų5085.3 Ų85.326%0.25648%0.483SS..Hα-helixtrans-66.4-41177.5-61.4163.3000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.56Å; A19-I23 PolarHBondContact O-N 3.1Å; A20-I23 PolarHBondContact O-N 2.96Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.06Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.44Å; I23-F26 WeakPolarHBondContact O-CB 3.21Å; I23-F26 PolarHBondContact O-N 3.11Å; I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.37Å; I23-F92 HydrophobicContact CD1-CB 4.09Å; I23-F92 HydrophobicContact CD1-CD1 3.9Å; I23-F92 HydrophobicContact CD1-CG 4.37Å; I23-F92 HydrophobicContact CG2-CD1 4.42Å; I23-F92 WeakPolarHBondContact CG2-O 2.92Å
24I88.1Confident86.3Confident51 Ų5182.6 Ų82.626%0.26247%0.467SS..Hα-helixtrans-65.3-32.2176.8-68.7163.7000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 3.46Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.29Å; V21-I24 PolarHBondContact O-N 3.47Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; I24-F78 HydrophobicContact CG2-CZ 4.32Å; I24-P94 HydrophobicContact CD1-CB 4.26Å; I24-P94 HydrophobicContact CG1-CB 3.69Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; I24-M100 HydrophobicContact CD1-SD 4.38Å; I24-M100 HydrophobicContact CG2-CE 4.39Å
25L87.3Confident86.3Confident118 Ų11886.9 Ų86.962%0.61848%0.481SS*.Hα-helixtrans-81.7-10.5178.5-71.6172.4000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 3.33Å; V21-L25 PolarHBondContact O-N 2.92Å; V21-L25 VanDerWaalsContact O-N 3.09Å; L22-L25 PolarHBondContact O-N 2.96Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.44Å; L25-P28 WeakPolarHBondContact O-CD 3.44Å
26F88.5Confident86.5Confident93 Ų9388 Ų8841%0.40848%0.476SS..Hα-helixtrans-70.2-43.5-177.4-168.7-97.9000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.47Å; I23-F26 WeakPolarHBondContact O-CB 3.21Å; I23-F26 PolarHBondContact O-N 3.11Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.26Å; F26-L29 PolarHBondContact O-N 3.02Å; F26-L30 HydrophobicContact CD1-CD1 4.24Å; F26-L30 HydrophobicContact CE1-CD1 3.98Å; F26-L30 HydrophobicContact CE1-CD2 4.33Å; F26-L30 HydrophobicContact CE1-CG 4.25Å; F26-L85 HydrophobicContact CD1-CD2 3.36Å; F26-L85 HydrophobicContact CE1-CD2 3.52Å
27P88.6Confident86.3Confident4 Ų490.9 Ų90.93%0.02648%0.481CS..Hα-helixtrans-57-42.5-179.2-13.919.1000115.2I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.37Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; P27-L29 PolarHBondContact O-N 3.27Å; P27-L30 WeakPolarHBondContact O-CB 3.45Å; P27-L30 PolarHBondContact O-N 3.29Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P27-T81 WeakPolarHBondContact CB-OG1 3.22Å; P27-T82 HydrophobicContact CB-CG2 4.21Å; P27-T82 HydrophobicContact CG-CG2 3.44Å; P27-T82 VanDerWaalsContact CG-CG2 3.44Å
28P84.6Confident86.4Confident69 Ų6992.5 Ų92.545%0.44849%0.489SS..Hα-helixtrans-55.5-33173.8-27.333.4000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.44Å; P28-L30 PolarHBondContact O-N 3.1Å; P28-I31 PolarHBondContact O-N 3.45Å
29L88.1Confident86.7Confident136 Ų13690 Ų9071%0.71247%0.471SS*.Hα-helixtrans-67.8-24.8-179.8-171.464.8000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.26Å; F26-L29 PolarHBondContact O-N 3.02Å; P27-L29 PolarHBondContact O-N 3.27Å; L29-I31 PolarHBondContact O-N 3.17Å
30L87.8Confident86.9Confident79 Ų7994.6 Ų94.641%0.41449%0.493SS..THydrogen-bonded Turntrans-77.2-4.7179-66.5170000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.24Å; F26-L30 HydrophobicContact CE1-CD1 3.98Å; F26-L30 HydrophobicContact CE1-CD2 4.33Å; F26-L30 HydrophobicContact CE1-CG 4.25Å; P27-L30 WeakPolarHBondContact O-CB 3.45Å; P27-L30 PolarHBondContact O-N 3.29Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P28-L30 PolarHBondContact O-N 3.1Å; L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.27Å; L30-Q46 PolarHBondContact O-NE2 3.16Å; L30-L85 HydrophobicContact CD1-CD1 3.53Å; L30-L85 HydrophobicContact CD1-CD2 3.89Å; L30-L85 HydrophobicContact CD1-CG 4.14Å
31I88.1Confident87.1Confident55 Ų55103.6 Ų103.628%0.28252%0.523SS..SBendtrans-108.581.5-179.7-54161.7000108P28 L29 I77P28-I31 PolarHBondContact O-N 3.45Å; L29-I31 PolarHBondContact O-N 3.17Å; I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.44Å
32P87.3Confident87.3Confident57 Ų57103.8 Ų103.837%0.3752%0.52SS..  trans-67139.8178.827.3-33.9000110.7L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.27Å; P32-L42 HydrophobicContact CG-CD2 3.59Å; P32-I43 HydrophobicContact CB-CD1 4.44Å; P32-I43 HydrophobicContact CB-CG1 4.49Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.99Å
33T87.1Confident87.6Confident138 Ų13898.6 Ų98.685%0.84749%0.493SS*.  trans-104.3141.6171.158.40000109.7
34S87.4Confident87.8Confident39 Ų3999.2 Ų99.227%0.27350%0.5SS..  trans-123.8143.5174.2169.90000110.1Y36 N39S34-Y36 PolarHBondContact OG-N 2.89Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; S34-N39 WeakPolarHBondContact CB-OD1 3.49Å; S34-N39 PolarHBondContact OG-OD1 3.07Å
35K85.6Confident88Confident216 Ų216100.8 Ų100.894%0.93951%0.512SS*.  trans-86.2-13.3175.1-62.2-178.9-178.5178.30112.8
36Y86.3Confident88.2Confident183 Ų18397.4 Ų97.472%0.71849%0.493SS*.SBendtrans-80.1152.9-175.2-60.9-74.2000112.1S34 N39S34-Y36 PolarHBondContact OG-N 2.89Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; Y36-N39 PolarHBondContact O-ND2 3.17Å; Y36-N39 PolarHBondContact O-OD1 3.25Å
37L78.9Confident88.3Confident177 Ų17797.7 Ų97.793%0.92750%0.495SS*.SBendtrans-71.3-40.2176.7-172.474.2000111.5
38I86.4Confident88.5Confident154 Ų154105.4 Ų105.479%0.7952%0.524SS*.SBendtrans-101.9113.5175.1-59.1170.9000107.1
39N89.8Confident88.8Confident24 Ų24106.8 Ų106.813%0.12853%0.527CS..  trans-107.3167.1-174.1-73.7-22.4000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.49Å; S34-N39 PolarHBondContact OG-OD1 3.07Å; Y36-N39 PolarHBondContact O-ND2 3.17Å; Y36-N39 PolarHBondContact O-OD1 3.25Å; N39-I43 HydrophobicContact CB-CB 3.91Å; N39-I43 HydrophobicContact CB-CG2 3.76Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.41Å; N39-T44 HydrophobicContact CB-CG2 4.1Å; N39-Q47 PolarHBondContact ND2-NE2 3.25Å
40N90.2Very high89Confident115 Ų115103.2 Ų103.262%0.61551%0.508SS*.  trans-62.4153.4171.8-166.51.1000111L42 I43 T44N40-L42 PolarHBondContact O-N 3.41Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 PolarHBondContact O-N 3.3Å; N40-T44 PolarHBondContact O-N 3.44Å
41R90Very high89.2Confident209 Ų209106.7 Ų106.779%0.78952%0.52SS*.Hα-helixtrans-52-36.8-178.7-64.1-177.3179.9-177.10.3113.3T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.33Å; R41-T44 PolarHBondContact O-OG1 3.28Å; R41-T45 WeakPolarHBondContact O-CG2 3.5Å; R41-T45 PolarHBondContact O-N 3.44Å; R41-T45 PolarHBondContact O-OG1 2.86Å
42L90Very high89.4Confident86 Ų86107.2 Ų107.245%0.4552%0.523SS..Hα-helixtrans-66.2-44.2177.4-173.4152.8000111.4P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.59Å; N40-L42 PolarHBondContact O-N 3.41Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-OG1 3.43Å; L42-Q46 VanDerWaalsContact CD2-CD 3.43Å; L42-Q46 HydrophobicContact CD2-CG 4.27Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.34Å; L42-Q46 WeakPolarHBondContact O-CB 3.02Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.22Å; L42-Q46 PolarHBondContact O-N 2.85Å
43I92.2Very high89.5Confident18 Ų18105.6 Ų105.69%0.09251%0.512CS..Hα-helixtrans-70.3-37.1179.6-61.1173.1000110.5P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.44Å; P32-I43 HydrophobicContact CB-CG1 4.49Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.99Å; N39-I43 HydrophobicContact CB-CB 3.91Å; N39-I43 HydrophobicContact CB-CG2 3.76Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.41Å; N40-I43 PolarHBondContact O-N 3.3Å; I43-Q46 PolarHBondContact O-N 3.35Å; I43-Q47 HydrophobicContact CG2-CG 4.28Å; I43-Q47 WeakPolarHBondContact O-CB 3.19Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.47Å; I43-Q47 PolarHBondContact O-N 3.2Å
44T91.8Very high89.6Confident63 Ų63100.4 Ų100.439%0.38748%0.481SS..Hα-helixtrans-67.1-40.9177.658.80000112.1N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.1Å; N40-T44 PolarHBondContact O-N 3.44Å; R41-T44 WeakPolarHBondContact CA-OG1 3.33Å; R41-T44 PolarHBondContact O-OG1 3.28Å; T44-Q47 PolarHBondContact O-N 3.02Å; T44-W48 WeakPolarHBondContact O-CB 3.3Å; T44-W48 PolarHBondContact O-N 2.96Å
45T91.7Very high89.7Confident84 Ų84106.3 Ų106.352%0.51550%0.502SS..Hα-helixtrans-65.8-40.7174.350.90000111.9R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.5Å; R41-T45 PolarHBondContact O-N 3.44Å; R41-T45 PolarHBondContact O-OG1 2.86Å; L42-T45 PolarHBondContact O-OG1 3.43Å; T45-W48 PolarHBondContact O-N 3.35Å; T45-L49 WeakPolarHBondContact O-CB 3.43Å; T45-L49 PolarHBondContact O-N 2.96Å
46Q91.4Very high89.8Confident46 Ų46102 Ų10222%0.21549%0.485CS..Hα-helixtrans-60.4-50172.8-75.8177.1-18.500112.1L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.16Å; L42-Q46 VanDerWaalsContact CD2-CD 3.43Å; L42-Q46 HydrophobicContact CD2-CG 4.27Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.34Å; L42-Q46 WeakPolarHBondContact O-CB 3.02Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.22Å; L42-Q46 PolarHBondContact O-N 2.85Å; I43-Q46 PolarHBondContact O-N 3.35Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 2.75Å; Q46-L49 PolarHBondContact O-N 3.45Å; Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.32Å; Q46-I50 PolarHBondContact O-N 3.49Å
47Q90.9Very high89.7Confident99 Ų9993.9 Ų93.946%0.46345%0.454SS..Hα-helixtrans-60.7-38.8178-74.6176.2-14.900112.2N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.25Å; I43-Q47 HydrophobicContact CG2-CG 4.28Å; I43-Q47 WeakPolarHBondContact O-CB 3.19Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.47Å; I43-Q47 PolarHBondContact O-N 3.2Å; T44-Q47 PolarHBondContact O-N 3.02Å; Q47-K51 WeakPolarHBondContact O-CB 3.34Å; Q47-K51 PolarHBondContact O-N 3.04Å
48W92.9Very high90.1Very high167 Ų16786.4 Ų86.463%0.63342%0.415SS*.Hα-helixtrans-63.2-44.4175.4-179.382.8000111.9T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.3Å; T44-W48 PolarHBondContact O-N 2.96Å; T45-W48 PolarHBondContact O-N 3.35Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 2.75Å; W48-K51 PolarHBondContact O-N 3.39Å; W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.38Å; W48-L52 VanDerWaalsContact CE2-CD1 3.47Å; W48-L52 HydrophobicContact CE3-CD1 3.77Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 VanDerWaalsContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.35Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.6Å; W48-L52 WeakPolarHBondContact O-CG 3.44Å; W48-L52 PolarHBondContact O-N 3.44Å
49L91.4Very high90Very high97 Ų9782.7 Ų82.751%0.50841%0.407SS..Hα-helixtrans-65.2-42.3178.6-155.4156.5000111.6T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.43Å; T45-L49 PolarHBondContact O-N 2.96Å; Q46-L49 PolarHBondContact O-N 3.45Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.43Å; L49-L52 PolarHBondContact O-N 3.05Å; L49-T53 HydrophobicContact CD2-CG2 3.95Å; L49-T53 WeakPolarHBondContact O-CG2 3.33Å; L49-T53 PolarHBondContact O-N 3.14Å; L49-T53 PolarHBondContact O-OG1 3.28Å
50I91.9Very high89.5Confident61 Ų6187.9 Ų87.931%0.31343%0.432SS..Hα-helixtrans-61.7-42.3174.5-66.8170.4000111Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.32Å; Q46-I50 PolarHBondContact O-N 3.49Å; I50-T53 WeakPolarHBondContact CA-OG1 3.35Å; I50-T53 PolarHBondContact O-OG1 2.93Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.44Å; I50-S54 PolarHBondContact O-N 3.35Å; I50-S54 PolarHBondContact O-OG 3.28Å; I50-V73 HydrophobicContact CG2-CG1 3.89Å; I50-I77 HydrophobicContact CD1-CD1 4.02Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å
51K91.7Very high89.1Confident152 Ų15282.7 Ų82.766%0.66140%0.404SS*.Hα-helixtrans-66.2-39.3178.9-172.5176.1-179178.20112.2Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.34Å; Q47-K51 PolarHBondContact O-N 3.04Å; W48-K51 PolarHBondContact O-N 3.39Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.43Å; K51-S54 WeakPolarHBondContact CA-OG 3.4Å; K51-S54 PolarHBondContact O-OG 3.14Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; K51-K55 VanDerWaalsContact O-CB 3.26Å; K51-K55 WeakPolarHBondContact O-CB 3.32Å; K51-K55 PolarHBondContact O-N 2.78Å; K51-K55 VanDerWaalsContact O-N 3.09Å
52L92Very high88.7Confident66 Ų6678.3 Ų78.335%0.34640%0.396SS..Hα-helixtrans-67.5-50.3177.8-75.8177.7000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.38Å; W48-L52 VanDerWaalsContact CE2-CD1 3.47Å; W48-L52 HydrophobicContact CE3-CD1 3.77Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 VanDerWaalsContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.35Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.6Å; W48-L52 WeakPolarHBondContact O-CG 3.44Å; W48-L52 PolarHBondContact O-N 3.44Å; L49-L52 PolarHBondContact O-N 3.05Å; L52-K55 PolarHBondContact O-N 2.77Å; L52-Q56 WeakPolarHBondContact O-CG 3.35Å; L52-Q56 PolarHBondContact O-N 2.84Å
53T89Confident88.2Confident24 Ų2479.7 Ų79.715%0.14741%0.409CS..Hα-helixtrans-61.1-48.1-179.848.90000111.2L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 3.95Å; L49-T53 WeakPolarHBondContact O-CG2 3.33Å; L49-T53 PolarHBondContact O-N 3.14Å; L49-T53 PolarHBondContact O-OG1 3.28Å; I50-T53 WeakPolarHBondContact CA-OG1 3.35Å; I50-T53 PolarHBondContact O-OG1 2.93Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-K55 PolarHBondContact O-N 2.95Å; T53-Q56 PolarHBondContact O-N 3.28Å; T53-M57 VanDerWaalsContact O-CG 3.31Å; T53-M57 WeakPolarHBondContact O-CG 3.41Å; T53-M57 PolarHBondContact O-N 2.96Å
54S89.8Confident87.6Confident29 Ų2984.5 Ų84.520%0.20343%0.429CS..Hα-helixtrans-60.1-42.2176.158.70000112.6I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.44Å; I50-S54 PolarHBondContact O-N 3.35Å; I50-S54 PolarHBondContact O-OG 3.28Å; K51-S54 WeakPolarHBondContact CA-OG 3.4Å; K51-S54 PolarHBondContact O-OG 3.14Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; S54-Q56 PolarHBondContact O-N 3.15Å; S54-M58 WeakPolarHBondContact O-CB 3.3Å; S54-M58 WeakPolarHBondContact O-CG 3.3Å; S54-M58 PolarHBondContact O-N 3.19Å
55K89.4Confident87Confident162 Ų16281.5 Ų81.570%0.70441%0.41SS*.Hα-helixtrans-62-44.5177.5-175.2-179.4178.5-174.70112K51 L52 T53 A59K51-K55 VanDerWaalsContact O-CB 3.26Å; K51-K55 WeakPolarHBondContact O-CB 3.32Å; K51-K55 PolarHBondContact O-N 2.78Å; K51-K55 VanDerWaalsContact O-N 3.09Å; L52-K55 PolarHBondContact O-N 2.77Å; T53-K55 PolarHBondContact O-N 2.95Å; K55-A59 PolarHBondContact O-N 2.93Å
56Q87.2Confident86.7Confident125 Ų12584.1 Ų84.158%0.58441%0.411SS*.Hα-helixtrans-68-47-179.2-73.6179.1-19.600112L52 T53 S54 A59L52-Q56 WeakPolarHBondContact O-CG 3.35Å; L52-Q56 PolarHBondContact O-N 2.84Å; T53-Q56 PolarHBondContact O-N 3.28Å; S54-Q56 PolarHBondContact O-N 3.15Å; Q56-A59 PolarHBondContact O-N 3.42Å
57M85.1Confident86.5Confident14 Ų1486.7 Ų86.77%0.06943%0.43CS..Hα-helixtrans-67.5-40-179-63.3-172.310500112T53 A59 H61 T215T53-M57 VanDerWaalsContact O-CG 3.31Å; T53-M57 WeakPolarHBondContact O-CG 3.41Å; T53-M57 PolarHBondContact O-N 2.96Å; M57-A59 VanDerWaalsContact C-N 3.3Å; M57-A59 PolarHBondContact O-N 3.19Å; M57-H61 PolarHBondContact O-CE1 3.04Å; M57-H61 PolarHBondContact O-ND1 3.49Å; M57-T215 WeakPolarHBondContact CE-OG1 3.38Å
58M86.6Confident86.3Confident20 Ų2084.6 Ų84.610%0.09942%0.418CS..Hα-helixtrans-78.8-11.8-177-64.1-60.4108.200113.9S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.3Å; S54-M58 WeakPolarHBondContact O-CG 3.3Å; S54-M58 PolarHBondContact O-N 3.19Å; M58-M60 PolarHBondContact O-N 3.44Å; M58-H61 PolarHBondContact O-N 3.46Å; M58-R66 HydrophobicContact CB-CG 4.48Å; M58-R66 HydrophobicContact SD-CB 4.36Å; M58-R66 HydrophobicContact SD-CG 4.1Å; M58-S69 WeakPolarHBondContact SD-CB 3.19Å; M58-L72 HydrophobicContact CE-CD1 3.71Å
59A85.1Confident86.1Confident76 Ų7678 Ų7863%0.62840%0.397SS*.THydrogen-bonded Turntrans-61.4-32.6176.100000112.3K55 Q56 M57K55-A59 PolarHBondContact O-N 2.93Å; Q56-A59 PolarHBondContact O-N 3.42Å; M57-A59 VanDerWaalsContact C-N 3.3Å; M57-A59 PolarHBondContact O-N 3.19Å
60M78.2Confident86.1Confident132 Ų13280.5 Ų80.565%0.6541%0.41SS*.THydrogen-bonded Turntrans-84.2-7.1-179.8-55.2-158.9-160.700113.9M58 H223M58-M60 PolarHBondContact O-N 3.44Å; M60-H223 PolarHBondContact O-CE1 3.48Å; M60-H223 PolarHBondContact O-ND1 3Å
61H83.1Confident86.1Confident7 Ų780.2 Ų80.23%0.03241%0.408CS..  trans-109.4139.5-168.1-68.679.4000113.7M57 M58 R66 S219M57-H61 PolarHBondContact O-CE1 3.04Å; M57-H61 PolarHBondContact O-ND1 3.49Å; M58-H61 PolarHBondContact O-N 3.46Å; H61-R66 HydrophobicContact CB-CG 4.4Å; H61-R66 PolarHBondContact O-NE 3.38Å; H61-S219 PolarHBondContact NE2-O 3.33Å
62N80.6Confident86Confident117 Ų11773.1 Ų73.163%0.62638%0.377SS*.  trans-71170168.5-93.7-18.5000112.4K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.11Å; N62-G65 PolarHBondContact O-N 3.29Å; N62-R66 PolarHBondContact O-N 2.88Å
63T80.6Confident86Confident115 Ų11570.7 Ų70.771%0.70637%0.365SS*.Hα-helixtrans-53.1-39-175.553.40000114.1R66T63-R66 PolarHBondContact O-N 3.38Å
64K79.8Confident86.1Confident119 Ų11972.8 Ų72.852%0.51738%0.381SS..Hα-helixtrans-66.2-45174.6-68.6-177.1-177.8175.90112.1N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.11Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 2.93Å; K64-T67 WeakPolarHBondContact O-CB 3.48Å; K64-T67 PolarHBondContact O-N 2.99Å; K64-T67 PolarHBondContact O-OG1 3.35Å
65G79.3Confident86.2Confident0 Ų072.2 Ų72.20%038%0.376CS..Hα-helixtrans-64.2-31.8177.400000113N62 T67 W68N62-G65 PolarHBondContact O-N 3.29Å; G65-T67 PolarHBondContact O-N 3.36Å; G65-W68 WeakPolarHBondContact O-CB 3.41Å; G65-W68 PolarHBondContact O-N 3.46Å
66R84.1Confident86.3Confident138 Ų13865.4 Ų65.452%0.52135%0.347SS..Hα-helixtrans-62.8-21.7175.9-70.2-178.9-173.9-175.90.7114M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.48Å; M58-R66 HydrophobicContact SD-CB 4.36Å; M58-R66 HydrophobicContact SD-CG 4.1Å; H61-R66 HydrophobicContact CB-CG 4.4Å; H61-R66 PolarHBondContact O-NE 3.38Å; N62-R66 PolarHBondContact O-N 2.88Å; T63-R66 PolarHBondContact O-N 3.38Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 2.93Å; R66-W68 PolarHBondContact O-N 2.64Å; R66-S69 WeakPolarHBondContact O-CB 3.22Å; R66-S69 PolarHBondContact O-N 3.21Å; R66-S69 VanDerWaalsContact O-N 3.08Å
67T87.1Confident86.5Confident101 Ų10161.2 Ų61.262%0.6233%0.328SS*.THydrogen-bonded Turntrans-63.5-24.7174.463.40000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.48Å; K64-T67 PolarHBondContact O-N 2.99Å; K64-T67 PolarHBondContact O-OG1 3.35Å; G65-T67 PolarHBondContact O-N 3.36Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.38Å
68W87.6Confident86.8Confident54 Ų5462.9 Ų62.921%0.20534%0.335CS..THydrogen-bonded Turntrans-85.62.3177-72.455.3000113.2G65 R66 L70 M71 L72 T112 L222G65-W68 WeakPolarHBondContact O-CB 3.41Å; G65-W68 PolarHBondContact O-N 3.46Å; R66-W68 PolarHBondContact O-N 2.64Å; W68-L70 VanDerWaalsContact C-N 3.32Å; W68-L70 PolarHBondContact O-N 3.17Å; W68-M71 HydrophobicContact CD2-CE 4.21Å; W68-M71 HydrophobicContact CE3-CE 3.12Å; W68-M71 HydrophobicContact CE3-SD 3.82Å; W68-M71 HydrophobicContact CZ3-CE 3.37Å; W68-M71 HydrophobicContact CZ3-SD 3.76Å; W68-M71 PolarHBondContact O-N 3.03Å; W68-M71 VanDerWaalsContact O-N 3.14Å; W68-L72 PolarHBondContact O-N 2.98Å; W68-L72 VanDerWaalsContact O-N 3.07Å; W68-T112 HydrophobicContact CZ3-CG2 4.12Å; W68-L222 HydrophobicContact CB-CD2 3.57Å; W68-L222 HydrophobicContact CD2-CD1 3.62Å; W68-L222 HydrophobicContact CD2-CD2 4.28Å; W68-L222 HydrophobicContact CE3-CD1 3.85Å; W68-L222 HydrophobicContact CG-CD1 3.85Å; W68-L222 HydrophobicContact CG-CD2 3.79Å; W68-L222 HydrophobicContact CZ3-CD1 4.47Å
69S87.9Confident87Confident29 Ų2961.9 Ų61.920%0.20333%0.33CS..Hα-helixtrans-55.1-46.4-177.4-175.50000112.4M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact SD-CB 3.19Å; R66-S69 WeakPolarHBondContact O-CB 3.22Å; R66-S69 PolarHBondContact O-N 3.21Å; R66-S69 VanDerWaalsContact O-N 3.08Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.38Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.04Å; S69-L72 PolarHBondContact O-N 3.18Å; S69-V73 WeakPolarHBondContact O-CB 3.3Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.49Å; S69-V73 PolarHBondContact O-N 3.29Å
70L91.3Very high87.3Confident149 Ų14959.7 Ų59.778%0.7831%0.312SS*.Hα-helixtrans-57.5-45.5180-172.485000111.1W68 S74W68-L70 VanDerWaalsContact C-N 3.32Å; W68-L70 PolarHBondContact O-N 3.17Å; L70-S74 WeakPolarHBondContact O-CB 3.44Å; L70-S74 PolarHBondContact O-N 3.24Å; L70-S74 PolarHBondContact O-OG 2.99Å
71M91.6Very high87.9Confident56 Ų5654.9 Ų54.928%0.27629%0.29SS..Hα-helixtrans-65.7-48.8-177.6-168.7-164.973.700111W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.21Å; W68-M71 HydrophobicContact CE3-CE 3.12Å; W68-M71 HydrophobicContact CE3-SD 3.82Å; W68-M71 HydrophobicContact CZ3-CE 3.37Å; W68-M71 HydrophobicContact CZ3-SD 3.76Å; W68-M71 PolarHBondContact O-N 3.03Å; W68-M71 VanDerWaalsContact O-N 3.14Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.04Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.43Å; M71-S74 PolarHBondContact O-N 3.37Å; M71-S74 PolarHBondContact O-OG 3.36Å; M71-L75 VanDerWaalsContact O-CB 3.28Å; M71-L75 WeakPolarHBondContact O-CB 3.48Å; M71-L75 PolarHBondContact O-N 3.11Å; M71-L108 HydrophobicContact CE-CD2 3.31Å; M71-L108 HydrophobicContact CG-CD2 4.31Å; M71-L108 HydrophobicContact SD-CD2 3.5Å; M71-L108 WeakPolarHBondContact SD-CD2 3.42Å
72L90.9Very high88.3Confident2 Ų254.8 Ų54.81%0.0129%0.29CS..Hα-helixtrans-60.9-42.4178.9-69.3170.5000112.3M58 W68 S69 L75 I76 V218M58-L72 HydrophobicContact CE-CD1 3.71Å; W68-L72 PolarHBondContact O-N 2.98Å; W68-L72 VanDerWaalsContact O-N 3.07Å; S69-L72 PolarHBondContact O-N 3.18Å; L72-L75 PolarHBondContact O-N 3.37Å; L72-I76 PolarHBondContact O-N 3.22Å; L72-V218 HydrophobicContact CD2-CB 4.23Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å
73V91.8Very high88.8Confident15 Ų1549.3 Ų49.39%0.09126%0.261CS..Hα-helixtrans-67.9-43177.9172.40000111.3I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.89Å; S69-V73 WeakPolarHBondContact O-CB 3.3Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.49Å; S69-V73 PolarHBondContact O-N 3.29Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.43Å; V73-L75 PolarHBondContact O-N 2.95Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.5Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.07Å; V73-I77 PolarHBondContact O-N 2.81Å
74S91.8Very high89.2Confident68 Ų6848.4 Ų48.448%0.47625%0.251SS..Hα-helixtrans-61.2-36.5175.969.90000111.7L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.44Å; L70-S74 PolarHBondContact O-N 3.24Å; L70-S74 PolarHBondContact O-OG 2.99Å; M71-S74 PolarHBondContact O-N 3.37Å; M71-S74 PolarHBondContact O-OG 3.36Å; S74-F78 VanDerWaalsContact O-CB 3.31Å; S74-F78 WeakPolarHBondContact O-CB 3.18Å; S74-F78 PolarHBondContact O-N 3.15Å
75L91.1Very high89.7Confident18 Ų1844.5 Ų44.59%0.09424%0.236CC..Hα-helixtrans-74.7-42.9-176.1-169.6140.4000112.9M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.28Å; M71-L75 WeakPolarHBondContact O-CB 3.48Å; M71-L75 PolarHBondContact O-N 3.11Å; L72-L75 PolarHBondContact O-N 3.37Å; V73-L75 PolarHBondContact O-N 2.95Å; L75-I77 VanDerWaalsContact C-N 3.27Å; L75-I77 PolarHBondContact O-N 2.97Å; L75-F78 PolarHBondContact O-N 3.15Å; L75-I79 HydrophobicContact CD2-CD1 3.44Å; L75-I79 VanDerWaalsContact CD2-CD1 3.44Å; L75-I79 HydrophobicContact CD2-CG1 4.27Å; L75-I79 HydrophobicContact CG-CD1 4.08Å; L75-I79 WeakPolarHBondContact O-CG1 3.29Å; L75-I79 PolarHBondContact O-N 3.12Å; L75-L108 HydrophobicContact CD1-CD1 3.13Å; L75-L108 HydrophobicContact CD1-CD2 4.04Å; L75-L108 HydrophobicContact CD1-CG 4.19Å; L75-F214 HydrophobicContact CD1-CE1 4.2Å; L75-F214 HydrophobicContact CD2-CD1 3.46Å; L75-F214 VanDerWaalsContact CD2-CD1 3.46Å; L75-F214 HydrophobicContact CD2-CE1 3.54Å; L75-F214 HydrophobicContact CG-CE1 4.45Å; L75-T215 HydrophobicContact CD2-CG2 3.25Å; L75-T215 HydrophobicContact CG-CG2 4.49Å
76I91.8Very high90Very high18 Ų1844.6 Ų44.69%0.09224%0.236CC..Hα-helixtrans-61.8-40.6176.3-164.8171.5000110.8L72 V73 A80 Y212 T215L72-I76 PolarHBondContact O-N 3.22Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.5Å; I76-A80 WeakPolarHBondContact O-CB 3.39Å; I76-A80 PolarHBondContact O-N 3.35Å; I76-Y212 HydrophobicContact CD1-CD2 4.18Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.46Å; I76-T215 VanDerWaalsContact CB-CG2 3.46Å; I76-T215 HydrophobicContact CG1-CG2 3.91Å
77I91.8Very high90.1Very high37 Ų3739.8 Ų39.819%0.1922%0.221CC..Hα-helixtrans-67.2-42.8178.5-63.4165.3000110.4I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.44Å; I50-I77 HydrophobicContact CD1-CD1 4.02Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.07Å; V73-I77 PolarHBondContact O-N 2.81Å; L75-I77 VanDerWaalsContact C-N 3.27Å; L75-I77 PolarHBondContact O-N 2.97Å; I77-T81 HydrophobicContact CG2-CG2 4.31Å; I77-T81 WeakPolarHBondContact O-CB 3.45Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.49Å; I77-T81 PolarHBondContact O-N 3.25Å; I77-T81 PolarHBondContact O-OG1 2.9Å
78F91.3Very high90.2Very high49 Ų4939.6 Ų39.622%0.21522%0.215CC..Hα-helixtrans-62.6-48.7178.5179.6-103000112.5I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.32Å; S74-F78 VanDerWaalsContact O-CB 3.31Å; S74-F78 WeakPolarHBondContact O-CB 3.18Å; S74-F78 PolarHBondContact O-N 3.15Å; L75-F78 PolarHBondContact O-N 3.15Å; F78-T81 PolarHBondContact O-OG1 3.24Å; F78-T81 VanDerWaalsContact O-OG1 3.07Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.21Å; F78-T82 HydrophobicContact CE2-CG2 3.91Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.13Å; F78-T82 WeakPolarHBondContact O-CG2 3.38Å; F78-T82 PolarHBondContact O-N 3.44Å; F78-T82 PolarHBondContact O-OG1 3.18Å; F78-M100 HydrophobicContact CE1-CE 3.83Å; F78-M100 HydrophobicContact CZ-CE 3.84Å; F78-M104 HydrophobicContact CD1-SD 3.94Å; F78-M104 HydrophobicContact CE1-CE 4.26Å; F78-M104 HydrophobicContact CE1-SD 3.64Å
79I91.1Very high89.9Confident0 Ų042.4 Ų42.40%024%0.24CC..Hα-helixtrans-68.2-42.4180-60.7176.7000110.6L75 T81 T82 N83 M104 L160 A211 F214L75-I79 HydrophobicContact CD2-CD1 3.44Å; L75-I79 VanDerWaalsContact CD2-CD1 3.44Å; L75-I79 HydrophobicContact CD2-CG1 4.27Å; L75-I79 HydrophobicContact CG-CD1 4.08Å; L75-I79 WeakPolarHBondContact O-CG1 3.29Å; L75-I79 PolarHBondContact O-N 3.12Å; I79-T81 PolarHBondContact O-N 3.05Å; I79-T82 WeakPolarHBondContact CA-OG1 3.03Å; I79-T82 PolarHBondContact O-OG1 2.95Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.48Å; I79-N83 WeakPolarHBondContact O-CB 3.42Å; I79-N83 PolarHBondContact O-N 2.91Å; I79-N83 PolarHBondContact O-ND2 3.04Å; I79-M104 HydrophobicContact CG1-SD 4.49Å; I79-L160 HydrophobicContact CG2-CD1 4.05Å; I79-L160 HydrophobicContact CG2-CD2 4.17Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.75Å; I79-F214 HydrophobicContact CD1-CB 4.29Å; I79-F214 HydrophobicContact CD1-CD1 3.55Å; I79-F214 HydrophobicContact CD1-CD2 4.21Å; I79-F214 HydrophobicContact CD1-CE1 3.86Å; I79-F214 HydrophobicContact CD1-CE2 4.46Å; I79-F214 HydrophobicContact CD1-CG 3.76Å; I79-F214 HydrophobicContact CD1-CZ 4.3Å
80A90.6Very high89.6Confident29 Ų2950.6 Ų50.624%0.2428%0.275CS..Hα-helixtrans-62.8-43.8179.100000111.9I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.39Å; I76-A80 PolarHBondContact O-N 3.35Å; A80-L84 VanDerWaalsContact O-CB 3.26Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 3.19Å; A80-A211 HydrophobicContact CB-CB 3.93Å
81T91.2Very high89.3Confident32 Ų3245.2 Ų45.220%0.19625%0.25CC..Hα-helixtrans-68-49.6178.651.80000111.4P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.22Å; I77-T81 HydrophobicContact CG2-CG2 4.31Å; I77-T81 WeakPolarHBondContact O-CB 3.45Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.49Å; I77-T81 PolarHBondContact O-N 3.25Å; I77-T81 PolarHBondContact O-OG1 2.9Å; F78-T81 PolarHBondContact O-OG1 3.24Å; F78-T81 VanDerWaalsContact O-OG1 3.07Å; I79-T81 PolarHBondContact O-N 3.05Å; T81-N83 VanDerWaalsContact C-N 3.32Å; T81-N83 PolarHBondContact O-N 2.9Å; T81-L84 PolarHBondContact O-N 2.89Å; T81-L85 WeakPolarHBondContact O-CD1 3.24Å; T81-L85 PolarHBondContact O-N 2.93Å
82T90.8Very high88.9Confident5 Ų543.9 Ų43.93%0.03124%0.243CC..Hα-helixtrans-57-42.6177.848.10000113P27 F78 I79 G86 P94P27-T82 HydrophobicContact CB-CG2 4.21Å; P27-T82 HydrophobicContact CG-CG2 3.44Å; P27-T82 VanDerWaalsContact CG-CG2 3.44Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.21Å; F78-T82 HydrophobicContact CE2-CG2 3.91Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.13Å; F78-T82 WeakPolarHBondContact O-CG2 3.38Å; F78-T82 PolarHBondContact O-N 3.44Å; F78-T82 PolarHBondContact O-OG1 3.18Å; I79-T82 WeakPolarHBondContact CA-OG1 3.03Å; I79-T82 PolarHBondContact O-OG1 2.95Å; T82-G86 PolarHBondContact O-N 3.45Å; T82-G86 VanDerWaalsContact O-N 3.09Å; T82-P94 HydrophobicContact CG2-CG 4.5Å
83N91Very high88.5Confident2 Ų244 Ų441%0.01124%0.243CC..Hα-helixtrans-68.2-42.2178.1-66.7-11.8000112.2I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.48Å; I79-N83 WeakPolarHBondContact O-CB 3.42Å; I79-N83 PolarHBondContact O-N 2.91Å; I79-N83 PolarHBondContact O-ND2 3.04Å; T81-N83 VanDerWaalsContact C-N 3.32Å; T81-N83 PolarHBondContact O-N 2.9Å; N83-G86 WeakPolarHBondContact O-CA 3.41Å; N83-G86 PolarHBondContact O-N 3.34Å; N83-G86 VanDerWaalsContact O-N 3.12Å; N83-L87 PolarHBondContact O-N 3.28Å; N83-T95 WeakPolarHBondContact OD1-CB 3.36Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.33Å; N83-T95 PolarHBondContact OD1-OG1 2.89Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.35Å; N83-I164 HydrophobicContact CB-CD1 4.3Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.41Å; N83-A207 HydrophobicContact CB-CB 3.91Å; N83-A207 PolarHBondContact ND2-O 3.29Å
84L89.7Confident88.1Confident96 Ų9643.6 Ų43.650%0.50324%0.241SC..Hα-helixtrans-69.2-40.9-178.3-166.5116.2000112A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.26Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 3.19Å; T81-L84 PolarHBondContact O-N 2.89Å; L84-G86 PolarHBondContact O-N 3.47Å; L84-L87 PolarHBondContact O-N 3.09Å
85L89.7Confident87.8Confident37 Ų3740.4 Ų40.419%0.19422%0.219CC..Hα-helixtrans-60.1-32.9170.2-89.299.1000112.1F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.36Å; F26-L85 HydrophobicContact CE1-CD2 3.52Å; L30-L85 HydrophobicContact CD1-CD1 3.53Å; L30-L85 HydrophobicContact CD1-CD2 3.89Å; L30-L85 HydrophobicContact CD1-CG 4.14Å; T81-L85 WeakPolarHBondContact O-CD1 3.24Å; T81-L85 PolarHBondContact O-N 2.93Å; L85-L87 PolarHBondContact O-N 3.28Å; L85-L88 VanDerWaalsContact O-CB 3.24Å; L85-L88 WeakPolarHBondContact O-CB 3.2Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.48Å; L85-L88 PolarHBondContact O-N 3.44Å; L85-L88 VanDerWaalsContact O-N 3.13Å; L85-S91 PolarHBondContact O-OG 3.38Å
86G85.9Confident87.5Confident1 Ų140 Ų401%0.0122%0.217CC..Hα-helixtrans-60.3-30.9178.800000116.2T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.45Å; T82-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 WeakPolarHBondContact O-CA 3.41Å; N83-G86 PolarHBondContact O-N 3.34Å; N83-G86 VanDerWaalsContact O-N 3.12Å; L84-G86 PolarHBondContact O-N 3.47Å; G86-L88 PolarHBondContact O-N 3.09Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 3.46Å; G86-S91 PolarHBondContact O-OG 3.31Å; G86-H168 PolarHBondContact O-CE1 3.35Å; G86-H168 PolarHBondContact O-NE2 2.95Å
87L86.8Confident87.4Confident38 Ų3842.3 Ų42.320%0.19923%0.228CC..THydrogen-bonded Turntrans-76.1-6.1179.2-59.7175.8000112.6N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.28Å; L84-L87 PolarHBondContact O-N 3.09Å; L85-L87 PolarHBondContact O-N 3.28Å; L87-M171 HydrophobicContact CD2-CE 4.02Å; L87-E203 HydrophobicContact CD1-CG 4.42Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-E203 VanDerWaalsContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L87.8Confident87.1Confident97 Ų9743.9 Ų43.951%0.50824%0.236SC..SBendtrans-67.1143.4174.7-65.3173.2000110.6L85 G86 H90 S91L85-L88 VanDerWaalsContact O-CB 3.24Å; L85-L88 WeakPolarHBondContact O-CB 3.2Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.48Å; L85-L88 PolarHBondContact O-N 3.44Å; L85-L88 VanDerWaalsContact O-N 3.13Å; G86-L88 PolarHBondContact O-N 3.09Å; L88-H90 PolarHBondContact O-N 2.79Å; L88-S91 WeakPolarHBondContact O-CB 3.38Å; L88-S91 PolarHBondContact O-N 3.4Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 3.26Å
89P82.3Confident87Confident112 Ų11245.6 Ų45.673%0.72725%0.254SS*.THydrogen-bonded Turntrans-58.8133.9-179.224.8-33.9000110.7S91P89-S91 PolarHBondContact O-N 3.36Å; P89-S91 VanDerWaalsContact O-N 3.12Å
90H82.6Confident86.8Confident202 Ų20247.5 Ų47.594%0.93526%0.263SS*.THydrogen-bonded Turntrans57.817.4-178.9-56.8-63.6000115.9L88L88-H90 PolarHBondContact O-N 2.79Å
91S84.3Confident86.7Confident36 Ų3646.1 Ų46.125%0.25225%0.252SS..  trans-81.6143.7171.573.30000111.2L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.38Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 3.46Å; G86-S91 PolarHBondContact O-OG 3.31Å; L88-S91 WeakPolarHBondContact O-CB 3.38Å; L88-S91 PolarHBondContact O-N 3.4Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 3.26Å; P89-S91 PolarHBondContact O-N 3.36Å; P89-S91 VanDerWaalsContact O-N 3.12Å
92F82.2Confident86.4Confident28 Ų2846.5 Ų46.512%0.12325%0.252CS..  trans-91124.3171.8171.9-94000109.4S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.26Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.11Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.08Å; A20-F92 HydrophobicContact CB-CE1 4.43Å; I23-F92 HydrophobicContact CD1-CB 4.09Å; I23-F92 HydrophobicContact CD1-CD1 3.9Å; I23-F92 HydrophobicContact CD1-CG 4.37Å; I23-F92 HydrophobicContact CG2-CD1 4.42Å; I23-F92 WeakPolarHBondContact CG2-O 2.92Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.5Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å
93T83.4Confident86.4Confident3 Ų349.4 Ų49.42%0.01828%0.277CS..  trans-93.2112.2177.827.50000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 2.75Å; T93-T96 PolarHBondContact O-N 2.88Å; T93-T96 PolarHBondContact O-OG1 3.35Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.36Å; T93-I164 HydrophobicContact CG2-CG2 4.28Å
94P82.4Confident86.2Confident8 Ų850.5 Ų50.55%0.05228%0.282CS..G310 helixtrans-63.8-23.5175.726.2-33.4000112.6I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.26Å; I24-P94 HydrophobicContact CG1-CB 3.69Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; T82-P94 HydrophobicContact CG2-CG 4.5Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.5Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.14Å; P94-Q97 PolarHBondContact O-N 3.31Å; P94-M100 WeakPolarHBondContact O-CB 3.3Å
95T85.4Confident86.1Confident1 Ų146 Ų461%0.00626%0.259CS..G310 helixtrans-75.9-7.9179.451.40000114.5N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.36Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.33Å; N83-T95 PolarHBondContact OD1-OG1 2.89Å; T93-T95 PolarHBondContact O-N 2.75Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.47Å; T95-L160 HydrophobicContact CG2-CD2 4.49Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.29Å
96T85.5Confident86Confident10 Ų1048.1 Ų48.16%0.06127%0.27CS..G310 helixtrans-74.4-27169.756.70000112.3F9 T93 P94 L98 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.88Å; F9-T96 HydrophobicContact CE1-CG2 3.75Å; T93-T96 PolarHBondContact O-N 2.88Å; T93-T96 PolarHBondContact O-OG1 3.35Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.36Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.14Å; T96-L98 PolarHBondContact O-N 3.44Å; T96-I164 HydrophobicContact CG2-CB 4.36Å; T96-I164 HydrophobicContact CG2-CG2 3.64Å; T96-T165 HydrophobicContact CG2-CG2 3.77Å
97Q88.9Confident86.2Confident66 Ų6651.9 Ų51.931%0.30829%0.294SS..SBendtrans-78.3120.3178.3-66.4-64.3-29.100109.7F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.28Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å; P94-Q97 PolarHBondContact O-N 3.31Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.37Å; Q97-M100 PolarHBondContact O-N 3.41Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; Q97-N101 PolarHBondContact O-N 3.26Å
98L86.6Confident86.2Confident70 Ų7050.9 Ų50.937%0.36629%0.289SS..Hα-helixtrans-57.7-33.2178.5-176.664.5000112.2T96 M100 N101 L102 A157 V158 T161T96-L98 PolarHBondContact O-N 3.44Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.47Å; L98-N101 PolarHBondContact O-N 3.17Å; L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 PolarHBondContact O-N 3.39Å; L98-A157 HydrophobicContact CD1-CB 4.35Å; L98-V158 HydrophobicContact CD1-CG2 3.91Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 3.98Å
99S87.8Confident86.2Confident84 Ų8448.2 Ų48.259%0.58727%0.272SS*.Hα-helixtrans-56.4-44176.756.20000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.37Å; S99-A103 WeakPolarHBondContact O-CB 3.31Å; S99-A103 PolarHBondContact O-N 3.07Å
100M87.5Confident86.4Confident40 Ų4044.2 Ų44.220%0.19725%0.248CC..Hα-helixtrans-67.2-47-179.2-176.861.9-171.700111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.38Å; I24-M100 HydrophobicContact CG2-CE 4.39Å; F78-M100 HydrophobicContact CE1-CE 3.83Å; F78-M100 HydrophobicContact CZ-CE 3.84Å; P94-M100 WeakPolarHBondContact O-CB 3.3Å; Q97-M100 PolarHBondContact O-N 3.41Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.47Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.12Å; M100-A103 PolarHBondContact O-N 3.08Å; M100-M104 HydrophobicContact CE-CE 3.84Å; M100-M104 HydrophobicContact CE-CG 4.28Å; M100-M104 HydrophobicContact CE-SD 4.06Å; M100-M104 HydrophobicContact CG-CE 3.71Å; M100-M104 PolarHBondContact O-N 3.06Å; M100-M104 HydrophobicContact SD-CE 4.46Å
101N88.3Confident86.6Confident0 Ų035.6 Ų35.60%021%0.214CC..Hα-helixtrans-67.3-37.3-178.5-66.1-7.2000111.7T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.47Å; Q97-N101 PolarHBondContact O-N 3.26Å; L98-N101 PolarHBondContact O-N 3.17Å; N101-M104 PolarHBondContact O-N 3.39Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.45Å; N101-A105 PolarHBondContact O-N 3.43Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 2.84Å; N101-L160 HydrophobicContact CB-CD2 4.33Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 3.1Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.28Å; N101-L160 VanDerWaalsContact ND2-CG 3.3Å; N101-L160 WeakPolarHBondContact ND2-CG 3.4Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.13Å; N101-T161 HydrophobicContact CB-CG2 4.28Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.45Å; N101-T161 PolarHBondContact ND2-N 2.9Å
102L86.4Confident86.6Confident40 Ų4034 Ų3421%0.20920%0.203CC..Hα-helixtrans-70.3-38.8177-158.871000111.4L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 PolarHBondContact O-N 3.39Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.12Å; L102-M104 PolarHBondContact O-N 3.33Å; L102-A105 PolarHBondContact O-N 3.28Å; L102-I106 HydrophobicContact CD1-CD1 4Å; L102-I106 HydrophobicContact CD1-CG1 4.12Å; L102-I106 HydrophobicContact CD2-CD1 3.95Å; L102-I106 HydrophobicContact CG-CD1 3.54Å; L102-I106 HydrophobicContact CG-CG1 4Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.94Å; L102-M154 HydrophobicContact CD1-CE 3.94Å; L102-M154 HydrophobicContact CD1-CG 4.47Å; L102-M154 HydrophobicContact CD1-SD 4.49Å; L102-M154 HydrophobicContact CD2-CE 3.98Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 3.95Å
103A89.2Confident86.7Confident66 Ų6633.3 Ų33.355%0.54520%0.201SC..Hα-helixtrans-63-29.4173.300000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.31Å; S99-A103 PolarHBondContact O-N 3.07Å; M100-A103 PolarHBondContact O-N 3.08Å; A103-P107 WeakPolarHBondContact O-CD 3.48Å; A103-P107 WeakPolarHBondContact O-CG 3.4Å
104M86.8Confident86.7Confident26 Ų2638.3 Ų38.313%0.12823%0.227CC..Hα-helixtrans-78.5-47.1170.6-70.9-173.6-86.900112.2F78 I79 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.94Å; F78-M104 HydrophobicContact CE1-CE 4.26Å; F78-M104 HydrophobicContact CE1-SD 3.64Å; I79-M104 HydrophobicContact CG1-SD 4.49Å; M100-M104 HydrophobicContact CE-CE 3.84Å; M100-M104 HydrophobicContact CE-CG 4.28Å; M100-M104 HydrophobicContact CE-SD 4.06Å; M100-M104 HydrophobicContact CG-CE 3.71Å; M100-M104 PolarHBondContact O-N 3.06Å; M100-M104 HydrophobicContact SD-CE 4.46Å; N101-M104 PolarHBondContact O-N 3.39Å; L102-M104 PolarHBondContact O-N 3.33Å; M104-L108 WeakPolarHBondContact O-CD1 3.31Å; M104-L108 VanDerWaalsContact O-CG 3.28Å; M104-L108 WeakPolarHBondContact O-CG 3.16Å
105A87.3Confident86.7Confident2 Ų239.6 Ų39.62%0.01723%0.232CC..Hα-helixtrans-70.3-44-171.200000113.8N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.45Å; N101-A105 PolarHBondContact O-N 3.43Å; L102-A105 PolarHBondContact O-N 3.28Å; A105-L108 PolarHBondContact O-N 2.93Å; A105-W109 WeakPolarHBondContact O-CB 3.37Å; A105-W109 PolarHBondContact O-N 3.37Å; A105-L156 HydrophobicContact CB-CD2 4.41Å; A105-A157 HydrophobicContact CB-CB 4.25Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.2Å
106I88.5Confident86.4Confident80 Ų8039.6 Ų39.641%0.4123%0.232SC..Hα-helixtrans-62.3-50.1-175.2-66.5175.8000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 4Å; L102-I106 HydrophobicContact CD1-CG1 4.12Å; L102-I106 HydrophobicContact CD2-CD1 3.95Å; L102-I106 HydrophobicContact CG-CD1 3.54Å; L102-I106 HydrophobicContact CG-CG1 4Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.94Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.48Å; I106-W109 PolarHBondContact O-N 3.38Å; I106-A110 VanDerWaalsContact O-CB 3.22Å; I106-A110 WeakPolarHBondContact O-CB 3.43Å; I106-A110 PolarHBondContact O-N 3.46Å
107P89.6Confident86.1Confident80 Ų8043 Ų4352%0.51925%0.246SC..Hα-helixtrans-64.1-37.3-178.8-24.836.7000113.3A103 G111A103-P107 WeakPolarHBondContact O-CD 3.48Å; A103-P107 WeakPolarHBondContact O-CG 3.4Å; P107-G111 PolarHBondContact O-N 3.24Å
108L88.3Confident85.6Confident18 Ų1849 Ų499%0.09427%0.266CS..Hα-helixtrans-65.4-48.6178.4-70.3163000111.4M71 L75 M104 A105 I106 G111 T112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.31Å; M71-L108 HydrophobicContact CG-CD2 4.31Å; M71-L108 HydrophobicContact SD-CD2 3.5Å; M71-L108 WeakPolarHBondContact SD-CD2 3.42Å; L75-L108 HydrophobicContact CD1-CD1 3.13Å; L75-L108 HydrophobicContact CD1-CD2 4.04Å; L75-L108 HydrophobicContact CD1-CG 4.19Å; M104-L108 WeakPolarHBondContact O-CD1 3.31Å; M104-L108 VanDerWaalsContact O-CG 3.28Å; M104-L108 WeakPolarHBondContact O-CG 3.16Å; A105-L108 PolarHBondContact O-N 2.93Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.48Å; L108-G111 PolarHBondContact O-N 3.15Å; L108-T112 PolarHBondContact O-N 3.47Å; L108-T112 PolarHBondContact O-OG1 3.3Å; L108-F214 HydrophobicContact CD1-CE1 4.03Å; L108-F214 HydrophobicContact CD1-CZ 4.36Å; L108-V218 HydrophobicContact CB-CG1 4.4Å
109W87Confident84.8Confident41 Ų4147.6 Ų47.616%0.15526%0.262CS..Hα-helixtrans-63-45.5177171.990.4000111.4A105 I106 G111 T112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.37Å; A105-W109 PolarHBondContact O-N 3.37Å; I106-W109 PolarHBondContact O-N 3.38Å; W109-G111 VanDerWaalsContact C-N 3.27Å; W109-G111 PolarHBondContact O-N 3.44Å; W109-T112 WeakPolarHBondContact CA-OG1 3.48Å; W109-T112 PolarHBondContact O-N 2.85Å; W109-T112 VanDerWaalsContact O-N 3.16Å; W109-T112 PolarHBondContact O-OG1 2.96Å; W109-V113 HydrophobicContact CD2-CG2 4.08Å; W109-V113 HydrophobicContact CH2-CG2 4.36Å; W109-V113 HydrophobicContact CZ2-CG2 3.9Å; W109-V113 WeakPolarHBondContact O-CG2 3.48Å; W109-V113 PolarHBondContact O-N 3.07Å; 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 3.96Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.2Å; W109-L149 PolarHBondContact NE1-O 3.19Å; W109-L149 VanDerWaalsContact NE1-O 3.14Å; W109-L150 HydrophobicContact CH2-CD2 3.74Å; W109-L150 HydrophobicContact CZ2-CD2 4.2Å; W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.34Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.33Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.78Å
110A86.3Confident84Confident27 Ų2747.9 Ų47.922%0.22325%0.253CS..Hα-helixtrans-60.4-41.317700000110.7I106 T112 V113 I114I106-A110 VanDerWaalsContact O-CB 3.22Å; I106-A110 WeakPolarHBondContact O-CB 3.43Å; I106-A110 PolarHBondContact O-N 3.46Å; A110-T112 PolarHBondContact O-N 2.98Å; A110-V113 PolarHBondContact O-N 3.17Å; A110-I114 WeakPolarHBondContact O-CB 3.41Å; A110-I114 WeakPolarHBondContact O-CD1 3.45Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 2.92Å
111G86.1Confident83Confident22 Ų2251.1 Ų51.123%0.22727%0.27CS..Hα-helixtrans-59.2-44.5174.600000113.2P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.24Å; L108-G111 PolarHBondContact O-N 3.15Å; W109-G111 VanDerWaalsContact C-N 3.27Å; W109-G111 PolarHBondContact O-N 3.44Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.29Å; G111-M115 PolarHBondContact O-N 2.95Å
112T84.8Confident81.8Confident1 Ų160.1 Ų60.11%0.00631%0.309CS..Hα-helixtrans-65.5-42.4176.951.40000112.2W68 L108 W109 A110 M115 G116 L222W68-T112 HydrophobicContact CZ3-CG2 4.12Å; L108-T112 PolarHBondContact O-N 3.47Å; L108-T112 PolarHBondContact O-OG1 3.3Å; W109-T112 WeakPolarHBondContact CA-OG1 3.48Å; W109-T112 PolarHBondContact O-N 2.85Å; W109-T112 VanDerWaalsContact O-N 3.16Å; W109-T112 PolarHBondContact O-OG1 2.96Å; A110-T112 PolarHBondContact O-N 2.98Å; T112-M115 PolarHBondContact O-N 3.21Å; T112-G116 PolarHBondContact O-N 3.41Å; T112-L222 HydrophobicContact CG2-CB 4.17Å; T112-L222 HydrophobicContact CG2-CD1 4.03Å
113V83.5Confident80.9Confident15 Ų1563 Ų639%0.09133%0.325CS..Hα-helixtrans-67.4-46.5-179.6171.50000111.1W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.08Å; W109-V113 HydrophobicContact CH2-CG2 4.36Å; W109-V113 HydrophobicContact CZ2-CG2 3.9Å; W109-V113 WeakPolarHBondContact O-CG2 3.48Å; W109-V113 PolarHBondContact O-N 3.07Å; A110-V113 PolarHBondContact O-N 3.17Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 2.83Å; V113-G116 PolarHBondContact O-N 2.69Å; V113-G116 VanDerWaalsContact O-N 3.16Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.35Å; V113-F117 PolarHBondContact O-N 3.19Å
114I85Confident79.8Confident108 Ų10860.7 Ų60.755%0.55431%0.306SS*.Hα-helixtrans-61.3-40176.9-67.3164.2000110.7A110 R118A110-I114 WeakPolarHBondContact O-CB 3.41Å; A110-I114 WeakPolarHBondContact O-CD1 3.45Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 2.92Å; I114-R118 WeakPolarHBondContact O-CB 3.31Å; I114-R118 PolarHBondContact O-N 3.38Å
115M82.3Confident78.7Confident34 Ų3464 Ų6417%0.16732%0.323CS..Hα-helixtrans-66-38.2176.3-173.560.9-17900112.2G111 T112 V113 R118 S119G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.29Å; G111-M115 PolarHBondContact O-N 2.95Å; T112-M115 PolarHBondContact O-N 3.21Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 2.83Å; M115-R118 PolarHBondContact O-N 3.11Å; M115-R118 PolarHBondContact SD-NH2 3.27Å; M115-S119 WeakPolarHBondContact O-CB 3.39Å; M115-S119 PolarHBondContact O-N 2.7Å; M115-S119 PolarHBondContact O-OG 3.31Å; M115-S119 VanDerWaalsContact O-OG 3.05Å
116G78.1Confident77.5Confident1 Ų166.4 Ų66.41%0.0134%0.343CS..Hα-helixtrans-60.9-51.6173.600000112.4T112 V113 R118 S119 K120 N225T112-G116 PolarHBondContact O-N 3.41Å; V113-G116 PolarHBondContact O-N 2.69Å; V113-G116 VanDerWaalsContact O-N 3.16Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 2.92Å; G116-S119 PolarHBondContact O-N 3.2Å; G116-S119 PolarHBondContact O-OG 3.18Å; G116-K120 PolarHBondContact O-N 3.13Å; G116-N225 VanDerWaalsContact CA-O 3.32Å; G116-N225 WeakPolarHBondContact CA-O 3.34Å
117F79.3Confident76.4Confident82 Ų8268 Ų6836%0.3635%0.349SS..Hα-helixtrans-59.7-41.7175.4-76.4-62.9000112V113 I121 A124 L125V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.35Å; V113-F117 PolarHBondContact O-N 3.19Å; F117-I121 WeakPolarHBondContact O-CG1 3.44Å; F117-A124 HydrophobicContact CD1-CB 4.3Å; F117-A124 HydrophobicContact CE1-CB 4.4Å; F117-L125 HydrophobicContact CD1-CD1 4.14Å; F117-L125 HydrophobicContact CE1-CD1 3.74Å
118R78.3Confident75.2Confident191 Ų19165.8 Ų65.872%0.72133%0.331SS*.Hα-helixtrans-69-35.9-180-168.8176.467.2-174.50.5113.2I114 M115 G116I114-R118 WeakPolarHBondContact O-CB 3.31Å; I114-R118 PolarHBondContact O-N 3.38Å; M115-R118 PolarHBondContact O-N 3.11Å; M115-R118 PolarHBondContact SD-NH2 3.27Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 2.92Å
119S70Confident74Confident41 Ų4168 Ų6829%0.28734%0.343SS..Hα-helixtrans-87-39.5-172.871.10000113.6M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.39Å; M115-S119 PolarHBondContact O-N 2.7Å; M115-S119 PolarHBondContact O-OG 3.31Å; M115-S119 VanDerWaalsContact O-OG 3.05Å; G116-S119 PolarHBondContact O-N 3.2Å; G116-S119 PolarHBondContact O-OG 3.18Å; S119-N225 PolarHBondContact OG-O 2.78Å
120K71.3Confident72.8Confident91 Ų9169.3 Ų69.340%0.39636%0.356SS..  trans-147.571.7-176.7-67.2175.3-178.7158.80111.4G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.13Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.33Å; K120-N123 HydrophobicContact CB-CB 3.9Å; K120-N123 HydrophobicContact CD-CB 4.25Å; K120-N123 PolarHBondContact O-N 3.03Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.21Å; K120-A124 PolarHBondContact O-N 2.99Å; K120-T226 WeakPolarHBondContact CE-O 3.24Å; K120-T226 PolarHBondContact NZ-O 3.47Å; K120-T226 PolarHBondContact NZ-OXT 3.07Å
121I66.1Low71.7Confident107 Ų10777.6 Ų77.655%0.54939%0.391SS..Hα-helixtrans-46.9-49.4177.2-60.2172.5000111.8F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.44Å; I121-N123 PolarHBondContact O-N 2.95Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 WeakPolarHBondContact O-CD1 3.31Å; I121-L125 PolarHBondContact O-N 3.29Å
122K64.4Low70.5Confident189 Ų18980.5 Ų80.582%0.82242%0.421SS*.Hα-helixtrans-66-37-176.1-65.1-175.6-179.8-177.20113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.33Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.28Å; K122-A126 PolarHBondContact O-N 2.97Å
123N67.8Low69.9Low101 Ų10182.2 Ų82.254%0.5443%0.431SS..Hα-helixtrans-79.6-36.1-178-146.162.5000111.4K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.9Å; K120-N123 HydrophobicContact CD-CB 4.25Å; K120-N123 PolarHBondContact O-N 3.03Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 2.95Å; N123-A126 PolarHBondContact O-N 3.3Å; N123-H127 PolarHBondContact O-N 3.28Å; N123-H127 VanDerWaalsContact O-N 3.11Å
124A64.6Low69.4Low18 Ų1885 Ų8515%0.14945%0.45CS..Hα-helixtrans-63.2-42.6172.800000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.3Å; F117-A124 HydrophobicContact CE1-CB 4.4Å; K120-A124 WeakPolarHBondContact O-CB 3.21Å; K120-A124 PolarHBondContact O-N 2.99Å; A124-H127 PolarHBondContact O-N 3.32Å
125L64Low69Low94 Ų9485.6 Ų85.649%0.49246%0.458SS..Hα-helixtrans-70-32.4174.4-89.179.3000112.6F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.14Å; F117-L125 HydrophobicContact CE1-CD1 3.74Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 WeakPolarHBondContact O-CD1 3.31Å; I121-L125 PolarHBondContact O-N 3.29Å; L125-H127 VanDerWaalsContact C-N 3.3Å; L125-H127 PolarHBondContact O-N 3.31Å; L125-F128 PolarHBondContact O-N 3.35Å
126A62.2Low69Low53 Ų5388.9 Ų88.944%0.43848%0.482SS..Hα-helixtrans-68.1-2817700000112.8K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.28Å; K122-A126 PolarHBondContact O-N 2.97Å; N123-A126 PolarHBondContact O-N 3.3Å; A126-F128 PolarHBondContact O-N 3.29Å; A126-L129 PolarHBondContact O-N 3.37Å; A126-L129 VanDerWaalsContact O-N 3.07Å
127H65.9Low69.1Low113 Ų11393.8 Ų93.852%0.52351%0.508SS..THydrogen-bonded Turntrans-63.8-22.7174.9-166.1-71.1000112.7N123 A124 L125 L129 E145N123-H127 PolarHBondContact O-N 3.28Å; N123-H127 VanDerWaalsContact O-N 3.11Å; A124-H127 PolarHBondContact O-N 3.32Å; L125-H127 VanDerWaalsContact C-N 3.3Å; L125-H127 PolarHBondContact O-N 3.31Å; H127-L129 PolarHBondContact O-N 2.92Å; H127-E145 IonicContact CE1-OE1 3.83Å; H127-E145 IonicContact ND1-OE1 3.85Å
128F63.2Low69.1Low35 Ų3592.1 Ų92.115%0.15450%0.502CS..THydrogen-bonded Turntrans-68.5-15.1174.3-67.4-57.6000113.5L125 A126 L141 E145 T146 L149L125-F128 PolarHBondContact O-N 3.35Å; A126-F128 PolarHBondContact O-N 3.29Å; F128-L141 WeakPolarHBondContact O-CD2 2.97Å; F128-E145 HydrophobicContact CD1-CB 4.22Å; F128-E145 HydrophobicContact CD1-CG 3.82Å; F128-T146 HydrophobicContact CD1-CG2 4.11Å; F128-T146 HydrophobicContact CE1-CG2 3.88Å; F128-T146 HydrophobicContact CZ-CG2 4.36Å; F128-L149 HydrophobicContact CE1-CD1 4.41Å
129L64.4Low69.2Low65 Ų6587 Ų8734%0.3449%0.494SS..SBendtrans-122.9114.6176-10276.6000111.2A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3.37Å; A126-L129 VanDerWaalsContact O-N 3.07Å; H127-L129 PolarHBondContact O-N 2.92Å; L129-Q131 PolarHBondContact O-N 3.35Å; L129-I138 HydrophobicContact CD1-CG2 3.99Å; L129-I138 HydrophobicContact CD2-CD1 4.23Å; L129-I138 HydrophobicContact CD2-CG1 4.32Å; L129-I138 HydrophobicContact CD2-CG2 3.81Å; L129-I138 HydrophobicContact CG-CG2 4.18Å; L129-V142 HydrophobicContact CD1-CG2 3.31Å
130P61.2Low69.8Low67 Ų6790.6 Ų90.644%0.43551%0.507SS..  trans-63.6136.416419-18.8000109.5G132 T133 L141P130-G132 PolarHBondContact O-N 3.37Å; P130-T133 HydrophobicContact CB-CG2 4.45Å; P130-T133 HydrophobicContact CG-CG2 3.76Å; P130-T133 WeakPolarHBondContact O-CG2 3.3Å; P130-T133 PolarHBondContact O-OG1 3Å; P130-L141 HydrophobicContact CG-CD1 3.77Å; P130-L141 HydrophobicContact CG-CD2 4Å
131Q62.2Low70.4Confident202 Ų20288.5 Ų88.594%0.94450%0.5SS*.THydrogen-bonded Turntrans-64131.3-179.5-62.8-171.90.500110L129L129-Q131 PolarHBondContact O-N 3.35Å
132G62.2Low71.2Confident83 Ų8385.6 Ų85.686%0.85649%0.487SS*.THydrogen-bonded Turntrans95.215177.500000115.8P130P130-G132 PolarHBondContact O-N 3.37Å
133T71.1Confident72.1Confident37 Ų3780.9 Ų80.923%0.22747%0.47CS..  trans-76.1136175.445.20000112.2P130 L141P130-T133 HydrophobicContact CB-CG2 4.45Å; P130-T133 HydrophobicContact CG-CG2 3.76Å; P130-T133 WeakPolarHBondContact O-CG2 3.3Å; P130-T133 PolarHBondContact O-OG1 3Å; T133-L141 HydrophobicContact CG2-CD1 3.94Å
134P74.1Confident73Confident74 Ų7480.6 Ų80.648%0.48147%0.467SS..  trans-68.1139.2178.328.8-34.6000110.6P136 L137P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.03Å; P134-P136 VanDerWaalsContact O-N 3.09Å; P134-L137 HydrophobicContact CG-CB 4.37Å; P134-L137 HydrophobicContact CG-CD1 3.72Å; P134-L137 HydrophobicContact CG-CG 4.17Å; P134-L137 PolarHBondContact O-N 2.96Å
135T76Confident73.9Confident119 Ų11982.3 Ų82.373%0.7347%0.472SS*.THydrogen-bonded Turntrans-47.8-35.9-172.348.50000116.9I138T135-I138 HydrophobicContact CG2-CD1 4.47Å
136P82.4Confident74.7Confident103 Ų10380.3 Ų80.367%0.66946%0.464SS*.THydrogen-bonded Turntrans-75-22.5178.926.7-34.4000114.7P134P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.03Å; P134-P136 VanDerWaalsContact O-N 3.09Å
137L80.4Confident75.8Confident105 Ų10581.8 Ų81.855%0.5546%0.464SS..THydrogen-bonded Turntrans-87.9-11.1-177.6-66178.1000113.3P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.37Å; P134-L137 HydrophobicContact CG-CD1 3.72Å; P134-L137 HydrophobicContact CG-CG 4.17Å; P134-L137 PolarHBondContact O-N 2.96Å; L137-M140 PolarHBondContact O-N 3.02Å; L137-L141 PolarHBondContact O-N 3.4Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I79.4Confident76.7Confident47 Ų4778.9 Ų78.924%0.24146%0.456CS..Hα-helixtrans-55.9-49-176-64.6176.8000112.6L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 3.99Å; L129-I138 HydrophobicContact CD2-CD1 4.23Å; L129-I138 HydrophobicContact CD2-CG1 4.32Å; L129-I138 HydrophobicContact CD2-CG2 3.81Å; L129-I138 HydrophobicContact CG-CG2 4.18Å; T135-I138 HydrophobicContact CG2-CD1 4.47Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 2.98Å; I138-L141 PolarHBondContact O-N 2.94Å; I138-V142 HydrophobicContact CG2-CG2 4.49Å; I138-V142 WeakPolarHBondContact O-CG2 3.36Å; I138-V142 PolarHBondContact O-N 2.99Å
139P79.4Confident77.6Confident84 Ų8479.3 Ų79.355%0.54546%0.46SS..Hα-helixtrans-64.1-37.3-175.9-21.534000112.9I143P139-I143 WeakPolarHBondContact O-CG1 3.42Å; P139-I143 PolarHBondContact O-N 3.44Å
140M83.3Confident78.5Confident115 Ų11581.4 Ų81.457%0.56747%0.471SS*.Hα-helixtrans-68.9-41.1179-173.964.1-172.500111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.02Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 2.98Å; M140-I143 PolarHBondContact O-N 2.93Å; M140-I144 HydrophobicContact CE-CD1 3.96Å; M140-I144 HydrophobicContact CE-CG1 4.17Å; M140-I144 HydrophobicContact CG-CD1 4.09Å; M140-I144 WeakPolarHBondContact O-CG1 3.44Å; M140-I144 PolarHBondContact O-N 2.66Å; M140-I144 VanDerWaalsContact O-N 3.1Å
141L84.7Confident79.6Confident47 Ų4782.9 Ų82.925%0.24647%0.474CS..Hα-helixtrans-66.7-40.3-178.2-168.1150000112F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 2.97Å; P130-L141 HydrophobicContact CG-CD1 3.77Å; P130-L141 HydrophobicContact CG-CD2 4Å; T133-L141 HydrophobicContact CG2-CD1 3.94Å; L137-L141 PolarHBondContact O-N 3.4Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 2.94Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.18Å; L141-I144 PolarHBondContact O-N 2.88Å; L141-E145 WeakPolarHBondContact O-CB 3.5Å; L141-E145 PolarHBondContact O-N 3.09Å
142V81.4Confident80.6Confident46 Ų4676.4 Ų76.428%0.27944%0.444SS..Hα-helixtrans-59.3-41.6175.5174.70000111.2L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.31Å; I138-V142 HydrophobicContact CG2-CG2 4.49Å; I138-V142 WeakPolarHBondContact O-CG2 3.36Å; I138-V142 PolarHBondContact O-N 2.99Å; V142-E145 PolarHBondContact O-N 3.43Å; V142-T146 HydrophobicContact CG1-CG2 4.36Å; V142-T146 WeakPolarHBondContact O-CB 3.42Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.33Å; V142-T146 PolarHBondContact O-N 3.43Å; V142-T146 PolarHBondContact O-OG1 2.92Å
143I85Confident81.4Confident91 Ų9173 Ų7347%0.46741%0.407SS..Hα-helixtrans-63.4-44.3177.2-66167.1000110.5P139 M140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.42Å; P139-I143 PolarHBondContact O-N 3.44Å; M140-I143 PolarHBondContact O-N 2.93Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.18Å; I143-T146 WeakPolarHBondContact CA-OG1 3.12Å; I143-T146 PolarHBondContact O-OG1 3.44Å; I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 WeakPolarHBondContact O-CD1 3.24Å; I143-I147 VanDerWaalsContact O-CG1 3.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 3.23Å
144I85.8Confident82Confident94 Ų9475.6 Ų75.648%0.48242%0.417SS..Hα-helixtrans-64.7-43.7179.1-64.4165.7000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.96Å; M140-I144 HydrophobicContact CE-CG1 4.17Å; M140-I144 HydrophobicContact CG-CD1 4.09Å; M140-I144 WeakPolarHBondContact O-CG1 3.44Å; M140-I144 PolarHBondContact O-N 2.66Å; M140-I144 VanDerWaalsContact O-N 3.1Å; L141-I144 PolarHBondContact O-N 2.88Å; I144-I147 PolarHBondContact O-N 3.48Å; I144-S148 WeakPolarHBondContact O-CB 3.39Å; I144-S148 PolarHBondContact O-N 2.98Å
145E83.9Confident82.5Confident55 Ų5574 Ų7426%0.25741%0.41SS..Hα-helixtrans-67.9-39.4-178.5-16862.1-162.400111.8H127 F128 L141 V142 I147 S148 L149H127-E145 IonicContact CE1-OE1 3.83Å; H127-E145 IonicContact ND1-OE1 3.85Å; F128-E145 HydrophobicContact CD1-CB 4.22Å; F128-E145 HydrophobicContact CD1-CG 3.82Å; L141-E145 WeakPolarHBondContact O-CB 3.5Å; L141-E145 PolarHBondContact O-N 3.09Å; V142-E145 PolarHBondContact O-N 3.43Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.33Å; E145-S148 WeakPolarHBondContact O-CB 3.47Å; E145-S148 PolarHBondContact O-N 2.91Å; E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 PolarHBondContact O-N 3.25Å
146T81.3Confident82.7Confident51 Ų5168.7 Ų68.731%0.31338%0.377SS..Hα-helixtrans-63.5-39173.852.50000112.2F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.11Å; F128-T146 HydrophobicContact CE1-CG2 3.88Å; F128-T146 HydrophobicContact CZ-CG2 4.36Å; V142-T146 HydrophobicContact CG1-CG2 4.36Å; V142-T146 WeakPolarHBondContact O-CB 3.42Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.33Å; V142-T146 PolarHBondContact O-N 3.43Å; V142-T146 PolarHBondContact O-OG1 2.92Å; I143-T146 WeakPolarHBondContact CA-OG1 3.12Å; I143-T146 PolarHBondContact O-OG1 3.44Å; T146-L150 WeakPolarHBondContact O-CG 3.27Å; T146-L150 PolarHBondContact O-N 3.2Å
147I85.4Confident82.7Confident84 Ų8463.8 Ų63.843%0.43135%0.345SS..Hα-helixtrans-66.4-44173.6-68.2166.5000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 WeakPolarHBondContact O-CD1 3.24Å; I143-I147 VanDerWaalsContact O-CG1 3.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 3.23Å; I144-I147 PolarHBondContact O-N 3.48Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.33Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.43Å; I147-L150 PolarHBondContact O-N 3.33Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.03Å; I147-I151 PolarHBondContact O-N 2.87Å
148S84.1Confident83Confident52 Ų5261.8 Ų61.836%0.36434%0.338SS..Hα-helixtrans-57.3-46178-177.10000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.39Å; I144-S148 PolarHBondContact O-N 2.98Å; E145-S148 WeakPolarHBondContact O-CB 3.47Å; E145-S148 PolarHBondContact O-N 2.91Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.83Å; S148-I151 PolarHBondContact O-N 3.18Å; S148-Q152 PolarHBondContact O-N 3.14Å; S148-Q152 VanDerWaalsContact O-N 3.14Å
149L82.9Confident83.3Confident45 Ų4564.3 Ų64.324%0.23634%0.344CS..Hα-helixtrans-61.1-35.7177.6-175.4125.3000112.3W109 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 3.96Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.2Å; W109-L149 PolarHBondContact NE1-O 3.19Å; W109-L149 VanDerWaalsContact NE1-O 3.14Å; F128-L149 HydrophobicContact CE1-CD1 4.41Å; E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 PolarHBondContact O-N 3.25Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.43Å; L149-P153 WeakPolarHBondContact O-CD 3.18Å
150L82.4Confident83.4Confident108 Ų10860.3 Ų60.357%0.56532%0.318SS*.Hα-helixtrans-78.1-34.8176.9-71.6173.5000113.7W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.74Å; W109-L150 HydrophobicContact CZ2-CD2 4.2Å; T146-L150 WeakPolarHBondContact O-CG 3.27Å; T146-L150 PolarHBondContact O-N 3.2Å; I147-L150 PolarHBondContact O-N 3.33Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.83Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-P153 WeakPolarHBondContact O-CD 3.23Å; L150-P153 WeakPolarHBondContact O-CG 3.17Å
151I85.1Confident83.5Confident98 Ų9855.5 Ų55.550%0.50330%0.295SS..Hα-helixtrans-72.5-30.8-179.5-69.5173.2000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.03Å; I147-I151 PolarHBondContact O-N 2.87Å; S148-I151 PolarHBondContact O-N 3.18Å; I151-M154 WeakPolarHBondContact O-CB 3.34Å; I151-M154 PolarHBondContact O-N 2.97Å; I151-M154 VanDerWaalsContact O-N 3.11Å; I151-A155 HydrophobicContact CG2-CB 4.41Å; I151-A155 WeakPolarHBondContact O-CB 3.31Å; I151-A155 PolarHBondContact O-N 3.46Å
152Q83.1Confident83.5Confident66 Ų6655.2 Ų55.231%0.30830%0.3SS..Hα-helixtrans-49.7-54.5-177.7-109.5175.5-6.600116.3S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.14Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; Q152-M154 PolarHBondContact O-N 3.42Å; Q152-A155 PolarHBondContact O-N 3.49Å; Q152-L156 WeakPolarHBondContact O-CB 3.37Å; Q152-L156 PolarHBondContact O-N 3.25Å; Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.47Å; Q152-Y221 PolarHBondContact NE2-OH 3.47Å; Q152-Y221 VanDerWaalsContact OE1-CZ 3.29Å; Q152-Y221 PolarHBondContact OE1-OH 3.42Å
153P78.7Confident83.8Confident12 Ų1255.9 Ų55.98%0.07830%0.302CS..Hα-helixtrans-63.9-33.2179.223.9-34.5000112W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.34Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.33Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.78Å; L149-P153 WeakPolarHBondContact O-CD 3.18Å; L150-P153 WeakPolarHBondContact O-CD 3.23Å; L150-P153 WeakPolarHBondContact O-CG 3.17Å; P153-A157 PolarHBondContact O-N 3.22Å; P153-A157 VanDerWaalsContact O-N 3.17Å
154M83.6Confident83.8Confident91 Ų9151.8 Ų51.845%0.44828%0.281SS..Hα-helixtrans-69.2-44.9176.1-165.1130.6-141.300111.4L102 I151 Q152 L156 A157 V158L102-M154 HydrophobicContact CD1-CE 3.94Å; L102-M154 HydrophobicContact CD1-CG 4.47Å; L102-M154 HydrophobicContact CD1-SD 4.49Å; L102-M154 HydrophobicContact CD2-CE 3.98Å; I151-M154 WeakPolarHBondContact O-CB 3.34Å; I151-M154 PolarHBondContact O-N 2.97Å; I151-M154 VanDerWaalsContact O-N 3.11Å; Q152-M154 PolarHBondContact O-N 3.42Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 2.97Å; M154-A157 PolarHBondContact O-N 3.49Å; M154-V158 HydrophobicContact CG-CG2 4.47Å; M154-V158 WeakPolarHBondContact O-CB 3.16Å; M154-V158 VanDerWaalsContact O-CG2 3.29Å; M154-V158 WeakPolarHBondContact O-CG2 3.19Å; M154-V158 PolarHBondContact O-N 3.22Å
155A84.8Confident83.8Confident41 Ų4149 Ų4934%0.33927%0.268SS..Hα-helixtrans-61.3-37.6177.100000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.41Å; I151-A155 WeakPolarHBondContact O-CB 3.31Å; I151-A155 PolarHBondContact O-N 3.46Å; Q152-A155 PolarHBondContact O-N 3.49Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.5Å; A155-R159 PolarHBondContact O-N 3.06Å
156L79.6Confident84Confident7 Ų749 Ų494%0.03728%0.277CS..Hα-helixtrans-61.8-48.9174.9-165.384000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.41Å; Q152-L156 WeakPolarHBondContact O-CB 3.37Å; Q152-L156 PolarHBondContact O-N 3.25Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 2.97Å; L156-R159 PolarHBondContact O-N 3.34Å; L156-L160 PolarHBondContact O-N 3.09Å; L156-F214 HydrophobicContact CD1-CD2 4.2Å; L156-F214 HydrophobicContact CD1-CG 4.47Å; L156-F214 HydrophobicContact CD2-CD1 4.12Å; L156-F214 HydrophobicContact CD2-CD2 3.35Å; L156-F214 HydrophobicContact CD2-CE1 3.94Å; L156-F214 HydrophobicContact CD2-CE2 3.16Å; L156-F214 HydrophobicContact CD2-CG 3.84Å; L156-F214 HydrophobicContact CD2-CZ 3.48Å; L156-F214 VanDerWaalsContact CD2-CZ 3.48Å; L156-F214 HydrophobicContact CG-CD2 3.45Å; L156-F214 VanDerWaalsContact CG-CD2 3.45Å; L156-F214 HydrophobicContact CG-CE2 3.64Å; L156-F214 HydrophobicContact CG-CG 4.14Å; L156-F214 HydrophobicContact CG-CZ 4.43Å; L156-L217 HydrophobicContact CD1-CB 3.96Å; L156-L217 HydrophobicContact CD1-CD1 3.4Å; L156-L217 HydrophobicContact CD1-CG 4.31Å; L156-V218 HydrophobicContact CD2-CG2 4.32Å
157A82.9Confident84.3Confident0 Ų046.8 Ų46.80%027%0.265CS..Hα-helixtrans-64.1-44.7-179.900000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.35Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 2.84Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 3.95Å; A105-A157 HydrophobicContact CB-CB 4.25Å; P153-A157 PolarHBondContact O-N 3.22Å; P153-A157 VanDerWaalsContact O-N 3.17Å; M154-A157 PolarHBondContact O-N 3.49Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.34Å; A157-L160 PolarHBondContact O-N 3.27Å; A157-T161 PolarHBondContact O-N 2.84Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 2.99Å
158V86.3Confident84.4Confident64 Ų6444.3 Ų44.339%0.38825%0.251SS..Hα-helixtrans-64.1-38.2177.6172.70000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.91Å; M154-V158 HydrophobicContact CG-CG2 4.47Å; M154-V158 WeakPolarHBondContact O-CB 3.16Å; M154-V158 VanDerWaalsContact O-CG2 3.29Å; M154-V158 WeakPolarHBondContact O-CG2 3.19Å; M154-V158 PolarHBondContact O-N 3.22Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.33Å; V158-T161 WeakPolarHBondContact CA-OG1 3.32Å; V158-T161 PolarHBondContact O-N 2.85Å; V158-T161 PolarHBondContact O-OG1 3.14Å; V158-A162 WeakPolarHBondContact O-CB 3.31Å; V158-A162 PolarHBondContact O-N 3.12Å
159R86.8Confident84.6Confident100 Ų10043.9 Ų43.938%0.37725%0.245SC..Hα-helixtrans-61.3-42.8177.5-168.4-173-61.2159.91.6111.8A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.5Å; A155-R159 PolarHBondContact O-N 3.06Å; L156-R159 PolarHBondContact O-N 3.34Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.34Å; R159-N163 WeakPolarHBondContact O-CB 3.45Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.29Å; R159-N163 PolarHBondContact O-ND2 3.09Å; R159-Q210 VanDerWaalsContact C-NE2 3.26Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å
160L80.8Confident84.9Confident0 Ų045.6 Ų45.60%025%0.254CS..Hα-helixtrans-67.7-43.8179.717968.1000110.9I79 N83 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.05Å; I79-L160 HydrophobicContact CG2-CD2 4.17Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.35Å; T95-L160 HydrophobicContact CG2-CD2 4.49Å; N101-L160 HydrophobicContact CB-CD2 4.33Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 3.1Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.28Å; N101-L160 VanDerWaalsContact ND2-CG 3.3Å; N101-L160 WeakPolarHBondContact ND2-CG 3.4Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.13Å; L156-L160 PolarHBondContact O-N 3.09Å; A157-L160 PolarHBondContact O-N 3.27Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.33Å; L160-I164 HydrophobicContact CD1-CD1 3.69Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3.43Å; L160-I164 PolarHBondContact O-N 3.32Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.21Å; L160-Q210 HydrophobicContact CD1-CB 4.32Å; L160-Q210 HydrophobicContact CD1-CG 3.38Å; L160-Q210 HydrophobicContact CG-CG 4.38Å; L160-F214 HydrophobicContact CD2-CD2 4.5Å
161T85Confident85.3Confident14 Ų1441.9 Ų41.99%0.08623%0.234CC..Hα-helixtrans-65.9-46.717750.10000112.2L98 N101 A157 V158 N163 I164 T165L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 3.98Å; N101-T161 HydrophobicContact CB-CG2 4.28Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.45Å; N101-T161 PolarHBondContact ND2-N 2.9Å; A157-T161 PolarHBondContact O-N 2.84Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 2.99Å; V158-T161 WeakPolarHBondContact CA-OG1 3.32Å; V158-T161 PolarHBondContact O-N 2.85Å; V158-T161 PolarHBondContact O-OG1 3.14Å; T161-N163 PolarHBondContact O-N 3Å; T161-I164 PolarHBondContact O-N 3.12Å; T161-T165 VanDerWaalsContact O-CB 3.27Å; T161-T165 WeakPolarHBondContact O-CB 3.24Å; T161-T165 WeakPolarHBondContact O-CG2 2.97Å; T161-T165 PolarHBondContact O-N 3.33Å; T161-T165 PolarHBondContact O-OG1 3.22Å
162A84.1Confident85.5Confident41 Ų4141.4 Ų41.434%0.33923%0.229SC..Hα-helixtrans-62.8-43.8-17300000111.3V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.31Å; V158-A162 PolarHBondContact O-N 3.12Å; A162-T165 WeakPolarHBondContact CA-OG1 3.36Å; A162-T165 PolarHBondContact O-OG1 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 3.47Å
163N87.9Confident85.8Confident60 Ų6042.5 Ų42.532%0.32124%0.237SC..Hα-helixtrans-64.1-48.7-179.9-69.4-6.2000111.4R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.45Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.29Å; R159-N163 PolarHBondContact O-ND2 3.09Å; T161-N163 PolarHBondContact O-N 3Å; N163-G167 PolarHBondContact O-N 2.99Å; N163-V206 HydrophobicContact CB-CG1 4.02Å
164I84.7Confident86.4Confident5 Ų543.5 Ų43.53%0.02624%0.241CC..Hα-helixtrans-71.3-40.7-176.2-59.7172.7000111.4N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.3Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.41Å; T93-I164 HydrophobicContact CG2-CG2 4.28Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.29Å; T96-I164 HydrophobicContact CG2-CB 4.36Å; T96-I164 HydrophobicContact CG2-CG2 3.64Å; L160-I164 HydrophobicContact CD1-CD1 3.69Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3.43Å; L160-I164 PolarHBondContact O-N 3.32Å; T161-I164 PolarHBondContact O-N 3.12Å; I164-H168 PolarHBondContact O-CD2 3.03Å; I164-H168 PolarHBondContact O-N 3.13Å; I164-H168 VanDerWaalsContact O-N 3.09Å
165T87.2Confident86.8Confident35 Ų3540.3 Ų40.322%0.21523%0.231CC..Hα-helixtrans-65.5-47177.253.50000111.5F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.45Å; F9-T165 HydrophobicContact CE1-CG2 4.17Å; T96-T165 HydrophobicContact CG2-CG2 3.77Å; T161-T165 VanDerWaalsContact O-CB 3.27Å; T161-T165 WeakPolarHBondContact O-CB 3.24Å; T161-T165 WeakPolarHBondContact O-CG2 2.97Å; T161-T165 PolarHBondContact O-N 3.33Å; T161-T165 PolarHBondContact O-OG1 3.22Å; A162-T165 WeakPolarHBondContact CA-OG1 3.36Å; A162-T165 PolarHBondContact O-OG1 3.32Å; T165-H168 PolarHBondContact O-N 2.92Å; T165-L169 WeakPolarHBondContact O-CB 3.4Å; T165-L169 WeakPolarHBondContact O-CG 3.13Å; T165-L169 PolarHBondContact O-N 2.72Å
166A86.9Confident87Confident54 Ų5441 Ų4145%0.44623%0.234SC..Hα-helixtrans-64.1-43.3179.100000111.4A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 3.47Å; A166-L169 PolarHBondContact O-N 2.86Å; A166-L170 VanDerWaalsContact O-CB 3.28Å; A166-L170 WeakPolarHBondContact O-CB 3.26Å; A166-L170 PolarHBondContact O-N 3.4Å
167G87.6Confident87.4Confident5 Ų542.6 Ų42.65%0.05225%0.248CC..Hα-helixtrans-58.5-48.2176.200000112.7N163 L169 L170 M171 E203N163-G167 PolarHBondContact O-N 2.99Å; G167-L169 PolarHBondContact O-N 3.05Å; G167-L170 PolarHBondContact O-N 3.28Å; G167-M171 WeakPolarHBondContact O-CB 3.27Å; G167-M171 WeakPolarHBondContact O-CG 3.45Å; G167-M171 PolarHBondContact O-N 2.95Å; G167-E203 WeakPolarHBondContact CA-OE2 3.49Å
168H88Confident87.7Confident33 Ų3343.5 Ų43.515%0.15325%0.254CS..Hα-helixtrans-62.1-43.2175.9-92.7-89.3000113.3F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.1Å; F9-H168 HydrophobicContact CZ-CB 3.82Å; G86-H168 PolarHBondContact O-CE1 3.35Å; G86-H168 PolarHBondContact O-NE2 2.95Å; I164-H168 PolarHBondContact O-CD2 3.03Å; I164-H168 PolarHBondContact O-N 3.13Å; I164-H168 VanDerWaalsContact O-N 3.09Å; T165-H168 PolarHBondContact O-N 2.92Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-M171 PolarHBondContact O-N 3.37Å; H168-H172 WeakPolarHBondContact O-CB 3.26Å; H168-H172 PolarHBondContact O-N 3.4Å
169L88.3Confident87.9Confident43 Ų4346.6 Ų46.623%0.22527%0.267CS..Hα-helixtrans-62.2-42.8175.8-77.6170.4000111.3F6 F9 T165 A166 G167 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.41Å; F6-L169 HydrophobicContact CE1-CD1 4.14Å; F6-L169 HydrophobicContact CE1-CD2 4.05Å; F9-L169 HydrophobicContact CE2-CD1 4.46Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.92Å; T165-L169 WeakPolarHBondContact O-CB 3.4Å; T165-L169 WeakPolarHBondContact O-CG 3.13Å; T165-L169 PolarHBondContact O-N 2.72Å; A166-L169 PolarHBondContact O-N 2.86Å; G167-L169 PolarHBondContact O-N 3.05Å; L169-H172 PolarHBondContact O-N 3.09Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.48Å; L169-L173 PolarHBondContact O-N 2.74Å
170L89.9Confident88Confident80 Ų8044 Ų4442%0.41927%0.268SS..Hα-helixtrans-67-43.2-179.4-153.4157.7000110.9A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.28Å; A166-L170 WeakPolarHBondContact O-CB 3.26Å; A166-L170 PolarHBondContact O-N 3.4Å; G167-L170 PolarHBondContact O-N 3.28Å; H168-L170 VanDerWaalsContact C-N 3.34Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.07Å; L170-L173 PolarHBondContact O-N 2.99Å; L170-I174 HydrophobicContact CD2-CD1 3.42Å; L170-I174 VanDerWaalsContact CD2-CD1 3.42Å; L170-I174 HydrophobicContact CD2-CG1 3.98Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.01Å; L170-L199 HydrophobicContact CB-CD2 4.3Å; L170-L199 HydrophobicContact CD2-CD1 3.73Å; L170-L199 HydrophobicContact CD2-CD2 3.26Å; L170-L199 HydrophobicContact CD2-CG 4.11Å; L170-L199 HydrophobicContact CG-CD2 4.34Å
171M90.5Very high88.3Confident30 Ų3047 Ų4715%0.14828%0.283CS..Hα-helixtrans-58.5-43.4172.6-75.2-172.4-68.200111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.02Å; G167-M171 WeakPolarHBondContact O-CB 3.27Å; G167-M171 WeakPolarHBondContact O-CG 3.45Å; G167-M171 PolarHBondContact O-N 2.95Å; H168-M171 PolarHBondContact O-N 3.37Å; M171-G175 PolarHBondContact O-N 3.27Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.18Å; M171-T200 HydrophobicContact SD-CG2 3.96Å; M171-E203 HydrophobicContact CE-CG 4.14Å
172H89.2Confident88.5Confident88 Ų8849.5 Ų49.541%0.40730%0.3SS..Hα-helixtrans-67.6-42.1178.7-170.3-64.4000112.3L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.38Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.12Å; H168-H172 WeakPolarHBondContact O-CB 3.26Å; H168-H172 PolarHBondContact O-N 3.4Å; L169-H172 PolarHBondContact O-N 3.09Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.07Å; H172-G175 PolarHBondContact O-N 3.47Å; H172-S176 WeakPolarHBondContact O-CB 3.26Å; H172-S176 PolarHBondContact O-N 3.29Å; H172-S176 PolarHBondContact O-OG 3.49Å
173L90Very high88.7Confident89 Ų8953.3 Ų53.347%0.46632%0.319SS..Hα-helixtrans-63.7-48178.5-74171.6000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.16Å; L5-L173 HydrophobicContact CD2-CD2 4.34Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.48Å; L169-L173 PolarHBondContact O-N 2.74Å; L170-L173 PolarHBondContact O-N 2.99Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.89Å; L173-S176 PolarHBondContact O-N 2.86Å; L173-S176 PolarHBondContact O-OG 2.9Å; L173-A177 PolarHBondContact O-N 2.85Å
174I91.3Very high88.7Confident33 Ų3355.5 Ų55.517%0.16933%0.33CS..Hα-helixtrans-64.3-40.5176.2-64.8-172.7000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.42Å; L170-I174 VanDerWaalsContact CD2-CD1 3.42Å; L170-I174 HydrophobicContact CD2-CG1 3.98Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.01Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.5Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.48Å; I174-A177 PolarHBondContact O-N 3.46Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.38Å; I174-T178 WeakPolarHBondContact O-CG2 3.49Å; I174-T178 PolarHBondContact O-N 3.38Å; I174-T178 PolarHBondContact O-OG1 3.38Å; I174-I192 HydrophobicContact CG2-CG2 3.79Å; I174-I195 HydrophobicContact CD1-CG2 4.03Å; I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 3.98Å; I174-L199 HydrophobicContact CD1-CD2 4.18Å
175G90Very high88.9Confident24 Ų2459.8 Ų59.825%0.24735%0.353CS..Hα-helixtrans-61.5-36.8174.900000113.7M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.27Å; H172-G175 PolarHBondContact O-N 3.47Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.89Å; G175-T178 WeakPolarHBondContact CA-OG1 3.28Å; G175-T178 PolarHBondContact O-OG1 3.34Å; G175-L179 PolarHBondContact O-N 3.29Å
176S89Confident88.9Confident56 Ų5665 Ų6539%0.39238%0.379SS..Hα-helixtrans-70.6-35.4173.672.20000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.26Å; H172-S176 PolarHBondContact O-N 3.29Å; H172-S176 PolarHBondContact O-OG 3.49Å; L173-S176 PolarHBondContact O-N 2.86Å; L173-S176 PolarHBondContact O-OG 2.9Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.5Å; S176-L179 PolarHBondContact O-N 3.33Å; S176-A180 WeakPolarHBondContact O-CB 3.31Å; S176-A180 PolarHBondContact O-N 2.98Å
177A88.4Confident89Confident41 Ų4166.9 Ų66.934%0.33939%0.386SS..Hα-helixtrans-69.1-40.617600000111.9L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.85Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.48Å; I174-A177 PolarHBondContact O-N 3.46Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.96Å; A177-A180 PolarHBondContact O-N 3.36Å; A177-M181 WeakPolarHBondContact O-CB 3.28Å; A177-M181 WeakPolarHBondContact O-CG 3.38Å; A177-M181 PolarHBondContact O-N 3.29Å
178T90.5Very high89Confident18 Ų1868.3 Ų68.311%0.1140%0.396CS..Hα-helixtrans-61.1-42.4174.255.90000110.8I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.38Å; I174-T178 WeakPolarHBondContact O-CG2 3.49Å; I174-T178 PolarHBondContact O-N 3.38Å; I174-T178 PolarHBondContact O-OG1 3.38Å; G175-T178 WeakPolarHBondContact CA-OG1 3.28Å; G175-T178 PolarHBondContact O-OG1 3.34Å; T178-M181 PolarHBondContact O-N 3.01Å; T178-S182 WeakPolarHBondContact O-CB 3.42Å; T178-S182 PolarHBondContact O-N 2.86Å; T178-I192 HydrophobicContact CG2-CB 3.89Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å
179L89.7Confident89.2Confident129 Ų12968 Ų6868%0.67540%0.396SS*.Hα-helixtrans-65.8-42.5178.9-162.8140.2000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.29Å; S176-L179 PolarHBondContact O-N 3.33Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.96Å; L179-S182 PolarHBondContact O-N 3.35Å; L179-S182 PolarHBondContact O-OG 3.31Å
180A89Confident89.4Confident47 Ų4771.5 Ų71.539%0.38841%0.414SS..Hα-helixtrans-67.8-35.3175.500000113.3S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.31Å; S176-A180 PolarHBondContact O-N 2.98Å; A177-A180 PolarHBondContact O-N 3.36Å; A180-S182 VanDerWaalsContact C-N 3.35Å; A180-T183 PolarHBondContact O-OG1 3.28Å
181M87.9Confident89.5Confident63 Ų6372.8 Ų72.831%0.3142%0.421SS..Hα-helixtrans-76.4-24.7178.1-68.7-63.7112.900112.7A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.28Å; A177-M181 WeakPolarHBondContact O-CG 3.38Å; A177-M181 PolarHBondContact O-N 3.29Å; T178-M181 PolarHBondContact O-N 3.01Å; M181-T183 PolarHBondContact O-N 2.82Å; M181-I184 HydrophobicContact CE-CD1 3.66Å; M181-I184 PolarHBondContact O-N 3.4Å; M181-I184 HydrophobicContact SD-CD1 4.25Å; M181-N185 PolarHBondContact O-N 3.11Å; M181-T189 PolarHBondContact O-OG1 2.62Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.66Å
182S88.1Confident89.7Confident65 Ų6573.4 Ų73.446%0.45542%0.424SS..Hα-helixtrans-58.7-30.6178.876.50000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.42Å; T178-S182 PolarHBondContact O-N 2.86Å; L179-S182 PolarHBondContact O-N 3.35Å; L179-S182 PolarHBondContact O-OG 3.31Å; A180-S182 VanDerWaalsContact C-N 3.35Å; S182-T189 WeakPolarHBondContact CA-OG1 3.44Å; S182-T189 PolarHBondContact N-OG1 2.99Å
183T87.9Confident89.8Confident121 Ų12174.4 Ų74.474%0.74243%0.428SS*.THydrogen-bonded Turntrans-82.6-15.6178.258.30000113.5A180 M181A180-T183 PolarHBondContact O-OG1 3.28Å; M181-T183 PolarHBondContact O-N 2.82Å
184I88.6Confident90Very high107 Ų10773.7 Ų73.755%0.54943%0.427SS..THydrogen-bonded Turntrans-100.1-61.6-174.6-57.5172.2000110.2M181M181-I184 HydrophobicContact CE-CD1 3.66Å; M181-I184 PolarHBondContact O-N 3.4Å; M181-I184 HydrophobicContact SD-CD1 4.25Å
185N88.9Confident90.1Very high95 Ų9576 Ų7651%0.50844%0.439SS..  trans-144.8123.6-172.4-82.5-19.8000111.3M181 S188 T189M181-N185 PolarHBondContact O-N 3.11Å; N185-S188 VanDerWaalsContact CB-OG 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 3.3Å; N185-S188 PolarHBondContact O-OG 3.28Å; N185-T189 PolarHBondContact O-N 2.87Å; N185-T189 PolarHBondContact O-OG1 3.38Å
186L87.9Confident90.3Very high144 Ų14476.4 Ų76.475%0.75444%0.435SS*.Hα-helixtrans-62.9-45.1177.1-158.7104.7000114.4S188 T189 L190L186-S188 PolarHBondContact O-N 3.42Å; L186-T189 WeakPolarHBondContact O-CB 3.36Å; L186-T189 PolarHBondContact O-N 3.36Å; L186-L190 PolarHBondContact O-N 2.94Å
187P89.3Confident90.5Very high93 Ų9377.4 Ų77.460%0.60444%0.435SS*.Hα-helixtrans-68.7-37.3-174.925.1-33.1000112.9T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.33Å; P187-L190 PolarHBondContact O-N 2.95Å; P187-I191 PolarHBondContact O-N 2.98Å
188S87.6Confident90.8Very high36 Ų3681.1 Ų81.125%0.25245%0.449SS..Hα-helixtrans-67.3-35174.751.60000112.1N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 3.3Å; N185-S188 PolarHBondContact O-OG 3.28Å; L186-S188 PolarHBondContact O-N 3.42Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 3.47Å; S188-I191 PolarHBondContact O-N 3.3Å; S188-I192 WeakPolarHBondContact O-CG1 3.45Å; S188-I192 PolarHBondContact O-N 2.94Å; S188-I192 VanDerWaalsContact O-N 3.11Å
189T92.1Very high90.9Very high25 Ų2581.3 Ų81.315%0.15345%0.449CS..Hα-helixtrans-61.4-41.3175.4-59.40000111.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.62Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; S182-T189 WeakPolarHBondContact CA-OG1 3.44Å; S182-T189 PolarHBondContact N-OG1 2.99Å; N185-T189 PolarHBondContact O-N 2.87Å; N185-T189 PolarHBondContact O-OG1 3.38Å; L186-T189 WeakPolarHBondContact O-CB 3.36Å; L186-T189 PolarHBondContact O-N 3.36Å; P187-T189 VanDerWaalsContact C-N 3.33Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.19Å; T189-I192 PolarHBondContact O-N 3.36Å; T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.02Å; T189-F193 PolarHBondContact O-N 3.48Å
190L91.4Very high91Very high117 Ų11777.7 Ų77.761%0.61343%0.432SS*.Hα-helixtrans-62.5-39.5178.8-156.7118.5000111.7L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.94Å; P187-L190 PolarHBondContact O-N 2.95Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 3.47Å; L190-F193 PolarHBondContact O-N 2.98Å; L190-T194 WeakPolarHBondContact O-CG2 3.48Å; L190-T194 PolarHBondContact O-N 2.87Å; L190-T194 PolarHBondContact O-OG1 3.36Å
191I93Very high91.2Very high108 Ų10880.2 Ų80.255%0.55444%0.438SS*.Hα-helixtrans-65.2-44.8176.5-62.5165.9000111.3P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.98Å; S188-I191 PolarHBondContact O-N 3.3Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.19Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.44Å; I191-T194 PolarHBondContact O-N 3.41Å; I191-T194 PolarHBondContact O-OG1 3.14Å; I191-I195 HydrophobicContact CG2-CD1 4.35Å; I191-I195 WeakPolarHBondContact O-CG1 3.25Å; I191-I195 PolarHBondContact O-N 2.97Å
192I93Very high91.4Very high42 Ų4282 Ų8222%0.21545%0.448CS..Hα-helixtrans-70.1-33.6180-57.5166.8000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.79Å; T178-I192 HydrophobicContact CG2-CB 3.89Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.66Å; S188-I192 WeakPolarHBondContact O-CG1 3.45Å; S188-I192 PolarHBondContact O-N 2.94Å; S188-I192 VanDerWaalsContact O-N 3.11Å; T189-I192 PolarHBondContact O-N 3.36Å; I192-I195 WeakPolarHBondContact O-CB 3.15Å; I192-I195 PolarHBondContact O-N 2.75Å; I192-L196 PolarHBondContact O-N 3.37Å
193F92.7Very high91.5Very high110 Ų11079.5 Ų79.548%0.48243%0.43SS..Hα-helixtrans-66.1-39.2175.4-173.3-105.9000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.02Å; T189-F193 PolarHBondContact O-N 3.48Å; L190-F193 PolarHBondContact O-N 2.98Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.44Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.25Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.38Å; F193-L196 PolarHBondContact O-N 2.88Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.13Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 PolarHBondContact O-N 2.89Å
194T93.6Very high91.6Very high74 Ų7477.8 Ų77.845%0.45442%0.415SS..Hα-helixtrans-64.8-37.1173.456.80000111.7L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.48Å; L190-T194 PolarHBondContact O-N 2.87Å; L190-T194 PolarHBondContact O-OG1 3.36Å; I191-T194 PolarHBondContact O-N 3.41Å; I191-T194 PolarHBondContact O-OG1 3.14Å; T194-I197 PolarHBondContact O-N 3.18Å; T194-L198 PolarHBondContact O-N 3.43Å
195I94.4Very high91.8Very high82 Ų8274.8 Ų74.842%0.42141%0.406SS..Hα-helixtrans-62-42.6172.8-65.3166.9000111I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.03Å; I191-I195 HydrophobicContact CG2-CD1 4.35Å; I191-I195 WeakPolarHBondContact O-CG1 3.25Å; I191-I195 PolarHBondContact O-N 2.97Å; I192-I195 WeakPolarHBondContact O-CB 3.15Å; I192-I195 PolarHBondContact O-N 2.75Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.25Å; I195-I197 PolarHBondContact O-N 3.31Å; I195-L198 PolarHBondContact O-N 3.12Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 3.48Å
196L93.4Very high91.9Very high31 Ų3172.1 Ų72.116%0.16239%0.393CS..Hα-helixtrans-59.1-46.1176.3-177.566.7000111.3I174 I192 F193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 3.98Å; I192-L196 PolarHBondContact O-N 3.37Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.38Å; F193-L196 PolarHBondContact O-N 2.88Å; L196-L198 PolarHBondContact O-N 2.97Å; L196-L199 WeakPolarHBondContact O-CB 3.46Å; L196-L199 PolarHBondContact O-N 3.43Å; L196-T200 WeakPolarHBondContact O-CG2 3.33Å; L196-T200 PolarHBondContact O-N 3.37Å
197I92.9Very high92Very high77 Ų7765.5 Ų65.540%0.39536%0.359SS..Hα-helixtrans-59.6-47.3176.6-67.7165.5000110.6F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.13Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 PolarHBondContact O-N 2.89Å; T194-I197 PolarHBondContact O-N 3.18Å; I195-I197 PolarHBondContact O-N 3.31Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 2.87Å; I197-T200 PolarHBondContact O-N 3.05Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 3.49Å; I197-I201 HydrophobicContact CG2-CD1 4.19Å; I197-I201 WeakPolarHBondContact O-CG1 3.28Å; I197-I201 PolarHBondContact O-N 3.34Å; I197-I201 VanDerWaalsContact O-N 3.15Å
198L94.8Very high92Very high120 Ų12066.3 Ų66.363%0.62836%0.358SS*.Hα-helixtrans-60.2-40.4179.2-174.964.3000111.8T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.43Å; I195-L198 PolarHBondContact O-N 3.12Å; L196-L198 PolarHBondContact O-N 2.97Å; L198-I201 PolarHBondContact O-N 3.03Å; L198-L202 PolarHBondContact O-N 2.94Å
199L93.3Very high92.1Very high22 Ų2269.2 Ų69.212%0.11537%0.37CS..Hα-helixtrans-62.8-42.3175.9-176.473.9000111.9L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.3Å; L170-L199 HydrophobicContact CD2-CD1 3.73Å; L170-L199 HydrophobicContact CD2-CD2 3.26Å; L170-L199 HydrophobicContact CD2-CG 4.11Å; L170-L199 HydrophobicContact CG-CD2 4.34Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.18Å; I174-L199 HydrophobicContact CD1-CD2 4.18Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 3.48Å; L196-L199 WeakPolarHBondContact O-CB 3.46Å; L196-L199 PolarHBondContact O-N 3.43Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 2.87Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.16Å; L199-L202 HydrophobicContact CD1-CD2 4.46Å; L199-L202 WeakPolarHBondContact O-CB 3.48Å; L199-L202 PolarHBondContact O-N 3.45Å; L199-E203 PolarHBondContact O-N 3.45Å
200T91.3Very high92Very high53 Ų5368.4 Ų68.433%0.32536%0.364SS..Hα-helixtrans-61.6-38.4177.161.90000112.1M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.96Å; L196-T200 WeakPolarHBondContact O-CG2 3.33Å; L196-T200 PolarHBondContact O-N 3.37Å; I197-T200 PolarHBondContact O-N 3.05Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 3.49Å; T200-E203 PolarHBondContact O-N 2.88Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.44Å; T200-I204 PolarHBondContact O-N 3.13Å
201I92.6Very high91.9Very high100 Ų10062.9 Ų62.951%0.51334%0.336SS..Hα-helixtrans-65.1-42.9176.2-64.3167.9000110.4I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.19Å; I197-I201 WeakPolarHBondContact O-CG1 3.28Å; I197-I201 PolarHBondContact O-N 3.34Å; I197-I201 VanDerWaalsContact O-N 3.15Å; L198-I201 PolarHBondContact O-N 3.03Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.16Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3Å; I201-I204 PolarHBondContact O-N 2.92Å; I201-A205 PolarHBondContact O-N 2.96Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L91.8Very high91.8Very high100 Ų10062.5 Ų62.552%0.52433%0.328SS..Hα-helixtrans-59.7-45.5175.6179.967.5000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 2.94Å; L199-L202 HydrophobicContact CD1-CD2 4.46Å; L199-L202 WeakPolarHBondContact O-CB 3.48Å; L199-L202 PolarHBondContact O-N 3.45Å; L202-I204 PolarHBondContact O-N 3.05Å; L202-A205 WeakPolarHBondContact O-CB 3.46Å; L202-A205 PolarHBondContact O-N 2.97Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 3.43Å
203E90.8Very high91.6Very high13 Ų1362.4 Ų62.46%0.06133%0.329CS..Hα-helixtrans-66.9-37.1-176.9-160.964.9-159.600112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.42Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-E203 VanDerWaalsContact CD2-CG 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.49Å; M171-E203 HydrophobicContact CE-CG 4.14Å; L199-E203 PolarHBondContact O-N 3.45Å; T200-E203 PolarHBondContact O-N 2.88Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.65Å; E203-V206 PolarHBondContact O-N 2.82Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.41Å; E203-A207 PolarHBondContact O-N 3.2Å
204I90.9Very high91.4Very high84 Ų8457.1 Ų57.143%0.43131%0.306SS..Hα-helixtrans-59.7-43.2171.7-67.3164.4000110.6L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.44Å; T200-I204 PolarHBondContact O-N 3.13Å; I201-I204 PolarHBondContact O-N 2.92Å; L202-I204 PolarHBondContact O-N 3.05Å; I204-L208 PolarHBondContact O-N 3.38Å
205A91.8Very high91.2Very high45 Ų4553.6 Ų53.637%0.37228%0.284SS..Hα-helixtrans-65.5-45.7177.100000111.6I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.96Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.46Å; L202-A205 PolarHBondContact O-N 2.97Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.65Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.97Å; A205-L208 PolarHBondContact O-N 2.88Å; A205-I209 WeakPolarHBondContact O-CB 3.43Å; A205-I209 VanDerWaalsContact O-CG1 3.25Å; A205-I209 WeakPolarHBondContact O-CG1 3.34Å; A205-I209 PolarHBondContact O-N 3.45Å
206V91.8Very high90.9Very high38 Ų3852.2 Ų52.223%0.2328%0.277CS..Hα-helixtrans-61.1-42.6178.3172.70000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.02Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 3.43Å; E203-V206 PolarHBondContact O-N 2.82Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.38Å; V206-I209 PolarHBondContact O-N 2.95Å; V206-Q210 WeakPolarHBondContact O-CB 3.45Å; V206-Q210 PolarHBondContact O-N 2.83Å
207A89.3Confident90.6Very high5 Ų552.5 Ų52.54%0.04128%0.279CS..Hα-helixtrans-57.3-42.2178.100000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.91Å; N83-A207 PolarHBondContact ND2-O 3.29Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.41Å; E203-A207 PolarHBondContact O-N 3.2Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.97Å; A207-A211 PolarHBondContact O-N 3.34Å
208L89.4Confident90.3Very high111 Ų11149.1 Ų49.158%0.58126%0.262SS*.Hα-helixtrans-76-44.4179.3-168.7150000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.38Å; A205-L208 PolarHBondContact O-N 2.88Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.38Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.49Å; L208-A211 PolarHBondContact O-N 3.47Å; L208-Y212 PolarHBondContact O-N 2.99Å; L208-Y212 VanDerWaalsContact O-N 3.14Å
209I90.9Very high89.9Confident96 Ų9643.9 Ų43.949%0.49224%0.235SC..Hα-helixtrans-60.1-40.8177.4-69.4166.6000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.43Å; A205-I209 VanDerWaalsContact O-CG1 3.25Å; A205-I209 WeakPolarHBondContact O-CG1 3.34Å; A205-I209 PolarHBondContact O-N 3.45Å; V206-I209 PolarHBondContact O-N 2.95Å; I209-A211 PolarHBondContact O-N 3.26Å; I209-Y212 WeakPolarHBondContact O-CB 3.25Å; I209-Y212 PolarHBondContact O-N 3.46Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.47Å; I209-V213 PolarHBondContact O-N 2.95Å
210Q89.1Confident89.5Confident9 Ų946.5 Ų46.54%0.04225%0.249CC..Hα-helixtrans-67.3-37.7-177.7-17363.58.200112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.26Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.21Å; L160-Q210 HydrophobicContact CD1-CB 4.32Å; L160-Q210 HydrophobicContact CD1-CG 3.38Å; L160-Q210 HydrophobicContact CG-CG 4.38Å; V206-Q210 WeakPolarHBondContact O-CB 3.45Å; V206-Q210 PolarHBondContact O-N 2.83Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.49Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.44Å; Q210-F214 PolarHBondContact O-N 3.05Å
211A89.8Confident89Confident1 Ų145 Ų451%0.00824%0.237CC..Hα-helixtrans-61.5-43.5171.700000111.3I79 A80 A207 L208 I209 T215I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.75Å; A80-A211 HydrophobicContact CB-CB 3.93Å; A207-A211 PolarHBondContact O-N 3.34Å; L208-A211 PolarHBondContact O-N 3.47Å; I209-A211 PolarHBondContact O-N 3.26Å; A211-T215 VanDerWaalsContact O-CG2 3.23Å; A211-T215 WeakPolarHBondContact O-CG2 3.33Å; A211-T215 PolarHBondContact O-N 3.15Å; A211-T215 PolarHBondContact O-OG1 3.26Å
212Y90.1Very high88.5Confident100 Ų10040.3 Ų40.339%0.39221%0.213SC..Hα-helixtrans-63.1-51.8176.8176.5-101.9000112.4I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.18Å; L208-Y212 PolarHBondContact O-N 2.99Å; L208-Y212 VanDerWaalsContact O-N 3.14Å; I209-Y212 WeakPolarHBondContact O-CB 3.25Å; I209-Y212 PolarHBondContact O-N 3.46Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.15Å; Y212-T215 PolarHBondContact O-N 3.01Å; Y212-T215 PolarHBondContact O-OG1 3.35Å; Y212-L216 HydrophobicContact CE1-CD1 3.66Å; Y212-L216 HydrophobicContact CE2-CD1 4.41Å; Y212-L216 WeakPolarHBondContact O-CB 3.26Å; Y212-L216 PolarHBondContact O-N 3.23Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.33Å
213V90Very high88Confident39 Ų3939.7 Ų39.724%0.23621%0.208CC..Hα-helixtrans-60.7-39-179.9172.10000111.4I209 L217I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.47Å; I209-V213 PolarHBondContact O-N 2.95Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.35Å; V213-L217 PolarHBondContact O-N 3.29Å
214F87.9Confident87.5Confident0 Ų042.7 Ų42.70%022%0.224CC..Hα-helixtrans-57.2-52.6176-174.4-75000110.9L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.2Å; L75-F214 HydrophobicContact CD2-CD1 3.46Å; L75-F214 VanDerWaalsContact CD2-CD1 3.46Å; L75-F214 HydrophobicContact CD2-CE1 3.54Å; L75-F214 HydrophobicContact CG-CE1 4.45Å; I79-F214 HydrophobicContact CD1-CB 4.29Å; I79-F214 HydrophobicContact CD1-CD1 3.55Å; I79-F214 HydrophobicContact CD1-CD2 4.21Å; I79-F214 HydrophobicContact CD1-CE1 3.86Å; I79-F214 HydrophobicContact CD1-CE2 4.46Å; I79-F214 HydrophobicContact CD1-CG 3.76Å; I79-F214 HydrophobicContact CD1-CZ 4.3Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.2Å; L108-F214 HydrophobicContact CD1-CE1 4.03Å; L108-F214 HydrophobicContact CD1-CZ 4.36Å; L156-F214 HydrophobicContact CD1-CD2 4.2Å; L156-F214 HydrophobicContact CD1-CG 4.47Å; L156-F214 HydrophobicContact CD2-CD1 4.12Å; L156-F214 HydrophobicContact CD2-CD2 3.35Å; L156-F214 HydrophobicContact CD2-CE1 3.94Å; L156-F214 HydrophobicContact CD2-CE2 3.16Å; L156-F214 HydrophobicContact CD2-CG 3.84Å; L156-F214 HydrophobicContact CD2-CZ 3.48Å; L156-F214 VanDerWaalsContact CD2-CZ 3.48Å; L156-F214 HydrophobicContact CG-CD2 3.45Å; L156-F214 VanDerWaalsContact CG-CD2 3.45Å; L156-F214 HydrophobicContact CG-CE2 3.64Å; L156-F214 HydrophobicContact CG-CG 4.14Å; L156-F214 HydrophobicContact CG-CZ 4.43Å; L160-F214 HydrophobicContact CD2-CD2 4.5Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.44Å; Q210-F214 PolarHBondContact O-N 3.05Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.15Å; F214-L217 PolarHBondContact O-N 3.3Å; F214-V218 HydrophobicContact CD1-CG2 4.29Å; F214-V218 HydrophobicContact CE1-CG2 4.03Å; F214-V218 WeakPolarHBondContact O-CG2 3.2Å; F214-V218 PolarHBondContact O-N 2.68Å
215T89.1Confident86.7Confident0 Ų040.4 Ų40.40%021%0.213CC..Hα-helixtrans-71.9-34.3-175.262.70000112.6M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.38Å; L75-T215 HydrophobicContact CD2-CG2 3.25Å; L75-T215 HydrophobicContact CG-CG2 4.49Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.46Å; I76-T215 VanDerWaalsContact CB-CG2 3.46Å; I76-T215 HydrophobicContact CG1-CG2 3.91Å; A211-T215 VanDerWaalsContact O-CG2 3.23Å; A211-T215 WeakPolarHBondContact O-CG2 3.33Å; A211-T215 PolarHBondContact O-N 3.15Å; A211-T215 PolarHBondContact O-OG1 3.26Å; Y212-T215 PolarHBondContact O-N 3.01Å; Y212-T215 PolarHBondContact O-OG1 3.35Å; T215-V218 PolarHBondContact O-N 2.91Å; T215-S219 WeakPolarHBondContact O-CB 3.43Å; T215-S219 PolarHBondContact O-N 3.2Å
216L88.2Confident85.6Confident52 Ų5239.8 Ų39.827%0.27220%0.204SC..Hα-helixtrans-63.6-44.7175.6-175.4148.3000111.2Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.66Å; Y212-L216 HydrophobicContact CE2-CD1 4.41Å; Y212-L216 WeakPolarHBondContact O-CB 3.26Å; Y212-L216 PolarHBondContact O-N 3.23Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.33Å; L216-S219 WeakPolarHBondContact CA-OG 3.43Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.46Å; L216-S219 PolarHBondContact O-N 3.09Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 3.22Å; L216-L220 PolarHBondContact O-N 3.28Å
217L86.5Confident85.3Confident37 Ų3739.9 Ų39.919%0.19420%0.203CC..Hα-helixtrans-62.9-43.6177.6-76.1167.5000111.7L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.96Å; L156-L217 HydrophobicContact CD1-CD1 3.4Å; L156-L217 HydrophobicContact CD1-CG 4.31Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.35Å; V213-L217 PolarHBondContact O-N 3.29Å; F214-L217 PolarHBondContact O-N 3.3Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 2.8Å; L217-L220 PolarHBondContact O-N 3.04Å; L217-Y221 HydrophobicContact CB-CE2 4.12Å; L217-Y221 WeakPolarHBondContact O-CD2 3.5Å; L217-Y221 WeakPolarHBondContact O-CE2 3.39Å; L217-Y221 PolarHBondContact O-N 2.87Å
218V86.2Confident85.1Confident6 Ų641.7 Ų41.74%0.03621%0.212CC..Hα-helixtrans-59.8-40173.6177.90000111.3L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.23Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å; L108-V218 HydrophobicContact CB-CG1 4.4Å; L156-V218 HydrophobicContact CD2-CG2 4.32Å; F214-V218 HydrophobicContact CD1-CG2 4.29Å; F214-V218 HydrophobicContact CE1-CG2 4.03Å; F214-V218 WeakPolarHBondContact O-CG2 3.2Å; F214-V218 PolarHBondContact O-N 2.68Å; T215-V218 PolarHBondContact O-N 2.91Å; V218-Y221 PolarHBondContact O-N 3.04Å; V218-L222 PolarHBondContact O-N 2.99Å
219S86.6Confident84.8Confident10 Ų1037.8 Ų37.87%0.0719%0.191CC..Hα-helixtrans-67.1-37.2176.9840000112.4H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.33Å; T215-S219 WeakPolarHBondContact O-CB 3.43Å; T215-S219 PolarHBondContact O-N 3.2Å; L216-S219 WeakPolarHBondContact CA-OG 3.43Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.46Å; L216-S219 PolarHBondContact O-N 3.09Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 3.22Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 2.8Å; S219-L222 WeakPolarHBondContact O-CB 3.36Å; S219-L222 PolarHBondContact O-N 3.17Å; S219-H223 PolarHBondContact O-N 3.3Å
220L84.5Confident84.5Confident77 Ų7734.4 Ų34.440%0.40317%0.173SC..Hα-helixtrans-66-42175.7-171.8147.6000111L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.28Å; L217-L220 PolarHBondContact O-N 3.04Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.36Å; L220-H223 WeakPolarHBondContact O-CA 3.45Å; L220-H223 WeakPolarHBondContact O-CB 3.44Å; L220-H223 PolarHBondContact O-N 3.41Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.33Å; L220-D224 PolarHBondContact O-N 3.11Å
221Y81.2Confident84.2Confident21 Ų2136 Ų368%0.08218%0.181CC..Hα-helixtrans-61.5-38.1172.8-59.9-45.1000112.5Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.47Å; Q152-Y221 PolarHBondContact NE2-OH 3.47Å; Q152-Y221 VanDerWaalsContact OE1-CZ 3.29Å; Q152-Y221 PolarHBondContact OE1-OH 3.42Å; L217-Y221 HydrophobicContact CB-CE2 4.12Å; L217-Y221 WeakPolarHBondContact O-CD2 3.5Å; L217-Y221 WeakPolarHBondContact O-CE2 3.39Å; L217-Y221 PolarHBondContact O-N 2.87Å; V218-Y221 PolarHBondContact O-N 3.04Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.44Å; Y221-N225 PolarHBondContact O-N 3.28Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.39Å
222L82.7Confident83.8Confident2 Ų238.3 Ų38.31%0.0119%0.193CC..Hα-helixtrans-63.7-41.6174.2-171.577.2000110.8W68 T112 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.57Å; W68-L222 HydrophobicContact CD2-CD1 3.62Å; W68-L222 HydrophobicContact CD2-CD2 4.28Å; W68-L222 HydrophobicContact CE3-CD1 3.85Å; W68-L222 HydrophobicContact CG-CD1 3.85Å; W68-L222 HydrophobicContact CG-CD2 3.79Å; W68-L222 HydrophobicContact CZ3-CD1 4.47Å; T112-L222 HydrophobicContact CG2-CB 4.17Å; T112-L222 HydrophobicContact CG2-CD1 4.03Å; V218-L222 PolarHBondContact O-N 2.99Å; S219-L222 WeakPolarHBondContact O-CB 3.36Å; S219-L222 PolarHBondContact O-N 3.17Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.36Å; L222-N225 PolarHBondContact O-N 3.19Å; L222-T226 HydrophobicContact CD1-CG2 4.36Å; L222-T226 HydrophobicContact CG-CG2 4.3Å; L222-T226 WeakPolarHBondContact O-CB 3.28Å; L222-T226 WeakPolarHBondContact O-CG2 3.39Å; L222-T226 PolarHBondContact O-N 3.49Å; L222-T226 VanDerWaalsContact O-N 3.15Å; L222-T226 PolarHBondContact O-OG1 3.45Å
223H82Confident83.3Confident87 Ų8733.9 Ų33.940%0.40318%0.179SC..Hα-helixtrans-60.6-51.1176.6-173.886.5000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.48Å; M60-H223 PolarHBondContact O-ND1 3Å; S219-H223 PolarHBondContact O-N 3.3Å; L220-H223 WeakPolarHBondContact O-CA 3.45Å; L220-H223 WeakPolarHBondContact O-CB 3.44Å; L220-H223 PolarHBondContact O-N 3.41Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 2.79Å; H223-T226 PolarHBondContact O-N 3.26Å; H223-T226 VanDerWaalsContact O-N 3.15Å; H223-T226 PolarHBondContact O-OG1 3.4Å
224D78.6Confident82.8Confident77 Ų7733.5 Ų33.541%0.41217%0.174SC..Hα-helixtrans-61.7-31.5-179-65-16.7000112.7L220L220-D224 WeakPolarHBondContact CD2-OD2 3.33Å; L220-D224 PolarHBondContact O-N 3.11Å
225N74.3Confident82.4Confident35 Ų3536.3 Ų36.319%0.18719%0.189CC..THydrogen-bonded Turntrans-91.3-1-179.4-74.1-71.4000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.32Å; G116-N225 WeakPolarHBondContact CA-O 3.34Å; S119-N225 PolarHBondContact OG-O 2.78Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.44Å; Y221-N225 PolarHBondContact O-N 3.28Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.39Å; L222-N225 PolarHBondContact O-N 3.19Å; H223-N225 PolarHBondContact O-N 2.79Å
226T69Low81.8Confident32 Ų3239.6 Ų39.620%0.19621%0.206CC..  trans-108.30-178.353.20000115K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.24Å; K120-T226 PolarHBondContact NZ-O 3.47Å; K120-T226 PolarHBondContact NZ-OXT 3.07Å; L222-T226 HydrophobicContact CD1-CG2 4.36Å; L222-T226 HydrophobicContact CG-CG2 4.3Å; L222-T226 WeakPolarHBondContact O-CB 3.28Å; L222-T226 WeakPolarHBondContact O-CG2 3.39Å; L222-T226 PolarHBondContact O-N 3.49Å; L222-T226 VanDerWaalsContact O-N 3.15Å; L222-T226 PolarHBondContact O-OG1 3.45Å; H223-T226 PolarHBondContact O-N 3.26Å; H223-T226 VanDerWaalsContact O-N 3.15Å; H223-T226 PolarHBondContact O-OG1 3.4Å

Retrieved 226 of 226 residues in 184.8 ms (Link to these results)