A0A023QEV0_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023QEV0, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.3Low74Confident202 Ų20298.7 Ų98.7100%0.99553%0.533SS*.  0-36.70-76.1174.6110.100112.9E3 N4M1-E3 PolarHBondContact O-N 3.45Å; M1-N4 PolarHBondContact O-N 3.34Å
2N53.6Low74.8Confident141 Ų14193.8 Ų93.875%0.75451%0.509SS*.Hα-helixtrans-59.1-39.7-177.8-85.718.7000115.3
3E61Low75.7Confident162 Ų16294.2 Ų94.276%0.75752%0.517SS*.Hα-helixtrans-79.8-21.3-177.5-60.7-138.8154.800114M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.45Å; E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.35Å; E3-F6 PolarHBondContact O-N 3.33Å; E3-A7 PolarHBondContact O-N 3.37Å; E3-A7 VanDerWaalsContact O-N 3.09Å
4N74.6Confident76.5Confident115 Ų11595.4 Ų95.462%0.61552%0.521SS*.Hα-helixtrans-68.6-28.8-176.7-65.37.9000112M1M1-N4 PolarHBondContact O-N 3.34Å
5L76.1Confident77.1Confident45 Ų45100.8 Ų100.824%0.23655%0.548CS..Hα-helixtrans-68.9-35.8177.5-66.7178.2000112.2E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.35Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.5Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.09Å; L5-L173 HydrophobicContact CD1-CD2 4.07Å; L5-L173 HydrophobicContact CD2-CD2 4.36Å
6F82.1Confident77.5Confident116 Ų11698.9 Ų98.951%0.50956%0.559SS.*Hα-helixtrans-93.3-9.9-176.7-67.2-75.6000113.6E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.33Å; F6-S8 PolarHBondContact O-N 3.05Å; F6-S8 VanDerWaalsContact O-N 3.14Å; F6-F9 HydrophobicContact CD1-CD2 4.01Å; F6-F9 HydrophobicContact CD1-CE2 4.41Å; F6-F9 PolarHBondContact O-N 3.32Å; F6-L169 HydrophobicContact CD1-CD2 4.38Å; F6-L169 HydrophobicContact CE1-CD1 4.11Å; F6-L169 HydrophobicContact CE1-CD2 4.03Å; F6-L169 HydrophobicContact CZ-CD2 4.44Å
7A79.9Confident78Confident54 Ų54100.6 Ų100.645%0.44657%0.565SS.*G310 helixtrans-55-33179.900000113E3 F9 I10E3-A7 PolarHBondContact O-N 3.37Å; E3-A7 VanDerWaalsContact O-N 3.09Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.11Å; A7-I10 PolarHBondContact O-N 2.85Å
8S79.7Confident78.4Confident62 Ų6299.3 Ų99.343%0.43456%0.562SS.*G310 helixtrans-68.9-20.2176.957.60000114.2F6 F92F6-S8 PolarHBondContact O-N 3.05Å; F6-S8 VanDerWaalsContact O-N 3.14Å; S8-F92 WeakPolarHBondContact O-CD2 3.41Å
9F82.6Confident78.8Confident22 Ų2295.2 Ų95.210%0.09654%0.541CS..G310 helixtrans-94-9.6178.3-58.6-70.4000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CD1-CD2 4.01Å; F6-F9 HydrophobicContact CD1-CE2 4.41Å; F6-F9 PolarHBondContact O-N 3.32Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.11Å; F9-A11 PolarHBondContact O-N 3.13Å; F9-T96 HydrophobicContact CD1-CG2 3.83Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 3.45Å; F9-T165 HydrophobicContact CD1-CG2 4.37Å; F9-T165 HydrophobicContact CE1-CG2 4.08Å; F9-H168 HydrophobicContact CE1-CB 4.1Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; F9-L169 HydrophobicContact CE2-CD1 4.44Å; F9-L169 HydrophobicContact CE2-CD2 3.65Å; F9-L169 HydrophobicContact CE2-CG 3.73Å; F9-L169 HydrophobicContact CZ-CD2 4.31Å; F9-L169 HydrophobicContact CZ-CG 3.91Å
10I84.7Confident79.2Confident116 Ų11691.4 Ų91.460%0.59552%0.522SS*.SBendtrans-69.7130.1178.3-59.1175000108.6A7 P12A7-I10 PolarHBondContact O-N 2.85Å; I10-P12 WeakPolarHBondContact O-CD 3.42Å
11A83.4Confident79.5Confident51 Ų5190.9 Ų90.942%0.42152%0.521SS..PPolyproline II helixtrans-59.1120.4-18000000110.2F9 T13F9-A11 PolarHBondContact O-N 3.13Å; A11-T13 PolarHBondContact O-N 3.37Å
12P83.6Confident80.9Confident39 Ų3987.3 Ų87.325%0.25351%0.505SS..PPolyproline II helixtrans-70.6127.2-173.926.7-33.1000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.42Å; P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.33Å; P12-A19 WeakPolarHBondContact O-CB 3.3Å; P12-A19 PolarHBondContact O-N 2.94Å; P12-I23 HydrophobicContact CG-CD1 3.66Å; P12-F92 HydrophobicContact CG-CB 4.43Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.1Å
13T87.1Confident82.6Confident99 Ų9983 Ų8361%0.60748%0.481SS*.EExtended strand (participates in β ladder)trans-117.8127.3170.554.40000108.5A11 L17A11-T13 PolarHBondContact O-N 3.37Å; T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.48Å
14I87.1Confident83.9Confident111 Ų11177.7 Ų77.757%0.56946%0.458SS*.EExtended strand (participates in β ladder)trans-113.2121.8176.1-63.4172.4000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 2.95Å; I14-G16 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact N-O 3.3Å; I14-L17 PolarHBondContact O-N 2.93Å; I14-A19 HydrophobicContact CB-CB 4.49Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.94Å
15L85.1Confident84.5Confident177 Ų17777.8 Ų77.893%0.92746%0.458SS*.THydrogen-bonded Turntrans54.132.9179.3-72149.7000113.6L17L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.41Å
16G84.1Confident85.1Confident71 Ų7180.1 Ų80.173%0.73247%0.466SS*.THydrogen-bonded Turntrans79.9-2.4-177.800000115.3I14I14-G16 PolarHBondContact O-N 2.95Å; I14-G16 VanDerWaalsContact O-N 3.14Å
17L85Confident85.4Confident127 Ų12774.7 Ų74.767%0.66544%0.443SS*.EExtended strand (participates in β ladder)trans-93.5140.2173-67.3168.3000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.48Å; I14-L17 PolarHBondContact N-O 3.3Å; I14-L17 PolarHBondContact O-N 2.93Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.41Å; L17-A19 PolarHBondContact O-N 3.46Å
18P85.5Confident85.6Confident78 Ų7875.4 Ų75.451%0.50644%0.443SS..EExtended strand (participates in β ladder)trans-71.4101.9177.929.2-33.3000110.6A20 V21P18-A20 PolarHBondContact O-N 2.99Å; P18-V21 HydrophobicContact CB-CG2 4.49Å; P18-V21 HydrophobicContact CG-CG2 4.24Å; P18-V21 PolarHBondContact O-N 3.16Å
19A86.3Confident86Confident20 Ų2079 Ų7917%0.16546%0.456CS..THydrogen-bonded Turntrans-68.4-17.6177.300000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.33Å; P12-A19 WeakPolarHBondContact O-CB 3.3Å; P12-A19 PolarHBondContact O-N 2.94Å; I14-A19 HydrophobicContact CB-CB 4.49Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.94Å; L17-A19 PolarHBondContact O-N 3.46Å; A19-V21 PolarHBondContact O-N 3.17Å; A19-L22 WeakPolarHBondContact O-CB 3.35Å; A19-L22 PolarHBondContact O-N 3.42Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A19-I23 PolarHBondContact O-N 2.95Å
20A85.8Confident86.2Confident20 Ų2081.7 Ų81.717%0.16547%0.471CS..Hα-helixtrans-53.5-33.417400000113.3P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.99Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 2.73Å; A20-I23 PolarHBondContact O-N 3.01Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.32Å; A20-I24 PolarHBondContact O-N 3.11Å; A20-F92 HydrophobicContact CB-CE1 4.41Å
21V85.8Confident86.4Confident81 Ų8178.8 Ų78.849%0.49146%0.456SS..Hα-helixtrans-63.5-41.8178.7-179.90000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.49Å; P18-V21 HydrophobicContact CG-CG2 4.24Å; P18-V21 PolarHBondContact O-N 3.16Å; A19-V21 PolarHBondContact O-N 3.17Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.01Å; V21-I24 PolarHBondContact O-N 3.04Å; V21-L25 HydrophobicContact CG1-CD1 4.15Å; V21-L25 WeakPolarHBondContact O-CG 3.12Å; V21-L25 PolarHBondContact O-N 3.25Å; V21-L25 VanDerWaalsContact O-N 3.09Å
22L86.5Confident86.6Confident126 Ų12679 Ų7966%0.6645%0.454SS*.Hα-helixtrans-65.7-39.5178.7-166.7151.1000110.9A19 A20 L25 F26A19-L22 WeakPolarHBondContact O-CB 3.35Å; A19-L22 PolarHBondContact O-N 3.42Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 2.73Å; L22-L25 PolarHBondContact O-N 3.28Å; L22-F26 PolarHBondContact O-N 3.43Å
23I88Confident86.7Confident50 Ų5083.7 Ų83.726%0.25648%0.481SS..Hα-helixtrans-65.3-41.3177.4-59.2171000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.66Å; A19-I23 PolarHBondContact O-N 2.95Å; A20-I23 PolarHBondContact O-N 3.01Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.01Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.34Å; I23-F26 WeakPolarHBondContact O-CB 3.29Å; I23-F26 PolarHBondContact O-N 2.94Å; I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.24Å; I23-F92 HydrophobicContact CD1-CB 4.03Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.34Å; I23-F92 HydrophobicContact CG2-CD1 4.46Å
24I88.3Confident86.7Confident51 Ų5180.9 Ų80.926%0.26247%0.466SS..Hα-helixtrans-65.3-32.6176.7-68.4163.4000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.32Å; A20-I24 PolarHBondContact O-N 3.11Å; V21-I24 PolarHBondContact O-N 3.04Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; I24-F78 HydrophobicContact CG2-CZ 4.35Å; I24-P94 HydrophobicContact CD1-CB 4.29Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.06Å; I24-M100 HydrophobicContact CD1-CE 4.44Å; I24-M100 HydrophobicContact CD1-SD 4.09Å; I24-M100 HydrophobicContact CG1-CE 4.49Å; I24-M100 HydrophobicContact CG2-CE 4.11Å
25L87.2Confident86.6Confident118 Ų11885.9 Ų85.962%0.61848%0.483SS*.Hα-helixtrans-80.9-11.2178.6-72.2172.1000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.15Å; V21-L25 WeakPolarHBondContact O-CG 3.12Å; V21-L25 PolarHBondContact O-N 3.25Å; V21-L25 VanDerWaalsContact O-N 3.09Å; L22-L25 PolarHBondContact O-N 3.28Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.34Å; L25-P28 WeakPolarHBondContact O-CD 3.45Å
26F88.9Confident86.7Confident93 Ų9386.3 Ų86.341%0.40847%0.474SS..Hα-helixtrans-71.2-42.9-176.2-171-98.2000114.8L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.43Å; I23-F26 WeakPolarHBondContact O-CB 3.29Å; I23-F26 PolarHBondContact O-N 2.94Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.31Å; F26-L29 PolarHBondContact O-N 3.27Å; F26-L30 HydrophobicContact CD1-CD1 4.37Å; F26-L30 HydrophobicContact CE1-CD1 4.06Å; F26-L30 HydrophobicContact CE1-CD2 4.35Å; F26-L30 HydrophobicContact CE1-CG 4.27Å; F26-L85 HydrophobicContact CD1-CD2 3.32Å; F26-L85 HydrophobicContact CE1-CD2 3.54Å
27P88.6Confident86.4Confident3 Ų391.4 Ų91.42%0.01948%0.484CS..Hα-helixtrans-57.6-41.9-179.6-16.623.4000115.3I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.24Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; P27-L29 PolarHBondContact O-N 3.46Å; P27-L30 WeakPolarHBondContact O-CB 3.16Å; P27-L30 PolarHBondContact O-N 3.03Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P27-T81 WeakPolarHBondContact CB-OG1 2.9Å; P27-T82 HydrophobicContact CB-CG2 4.26Å; P27-T82 HydrophobicContact CG-CG2 3.52Å
28P84.8Confident86.4Confident69 Ų6992.8 Ų92.845%0.44849%0.49SS..Hα-helixtrans-55.7-32.9173.5-27.233.3000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.45Å; P28-L30 PolarHBondContact O-N 3.21Å; P28-I31 PolarHBondContact O-N 3.02Å
29L88.1Confident86.5Confident136 Ų13690.4 Ų90.471%0.71247%0.473SS*.Hα-helixtrans-68.1-24.9179.9-17263.9000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.31Å; F26-L29 PolarHBondContact O-N 3.27Å; P27-L29 PolarHBondContact O-N 3.46Å; L29-I31 PolarHBondContact O-N 3.49Å
30L87.6Confident86.7Confident79 Ų7994.9 Ų94.941%0.41449%0.494SS..THydrogen-bonded Turntrans-75.7-5.3178-66.2172.9000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.37Å; F26-L30 HydrophobicContact CE1-CD1 4.06Å; F26-L30 HydrophobicContact CE1-CD2 4.35Å; F26-L30 HydrophobicContact CE1-CG 4.27Å; P27-L30 WeakPolarHBondContact O-CB 3.16Å; P27-L30 PolarHBondContact O-N 3.03Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P28-L30 PolarHBondContact O-N 3.21Å; L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.28Å; L30-Q46 PolarHBondContact O-NE2 3.42Å; L30-L85 HydrophobicContact CD1-CD1 3.47Å; L30-L85 VanDerWaalsContact CD1-CD1 3.47Å; L30-L85 HydrophobicContact CD1-CD2 3.81Å; L30-L85 HydrophobicContact CD1-CG 4.11Å
31I88.1Confident86.8Confident55 Ų55104 Ų10428%0.28253%0.525SS..SBendtrans-108.181.3-179.3-52.9164.7000108.3P28 L29 I77P28-I31 PolarHBondContact O-N 3.02Å; L29-I31 PolarHBondContact O-N 3.49Å; I31-I77 HydrophobicContact CD1-CG2 3.39Å; I31-I77 HydrophobicContact CG1-CG2 4.47Å
32P87.1Confident87Confident56 Ų56104.2 Ų104.236%0.36452%0.522SS..  trans-67141.1178.227.6-33.9000110.7L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.28Å; P32-L42 HydrophobicContact CG-CD2 3.51Å; P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CB-CG1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.99Å
33T87Confident87.3Confident137 Ų13799 Ų9984%0.8450%0.495SS*.  trans-108.3141.9170.659.10000109.4
34S87.1Confident87.4Confident40 Ų4099.6 Ų99.628%0.2850%0.501SS..  trans-126.4147.8173.856.70000110.5N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.41Å; S34-N39 PolarHBondContact OG-ND2 3.49Å; S34-N39 PolarHBondContact OG-OD1 3.31Å; S34-I43 WeakPolarHBondContact OG-CD1 3.33Å
35K85.1Confident87.6Confident216 Ų216101.3 Ų101.394%0.93951%0.514SS*.  trans-88.1-10.9178.9-62.2-179.8-179.11780113
36Y85.8Confident87.8Confident186 Ų18697.8 Ų97.873%0.72949%0.494SS*.SBendtrans-81.5153.6-175-60.3-71.8000111.7N39Y36-N39 PolarHBondContact O-ND2 3.04Å; Y36-N39 PolarHBondContact O-OD1 3.47Å
37L77.7Confident87.9Confident179 Ų17998 Ų9894%0.93750%0.497SS*.SBendtrans-73.6-38.9176.8-170.274.9000111.5
38I84.6Confident88.1Confident156 Ų156106 Ų10680%0.853%0.526SS*.SBendtrans-101.4114.7174.3-58.2170.9000107.2
39N89Confident88.4Confident27 Ų27107.1 Ų107.114%0.14453%0.528CS..  trans-108.2168-172.2-71.9-25.8000112.7S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.41Å; S34-N39 PolarHBondContact OG-ND2 3.49Å; S34-N39 PolarHBondContact OG-OD1 3.31Å; Y36-N39 PolarHBondContact O-ND2 3.04Å; Y36-N39 PolarHBondContact O-OD1 3.47Å; N39-I43 HydrophobicContact CB-CB 3.96Å; N39-I43 HydrophobicContact CB-CG2 3.83Å; N39-T44 HydrophobicContact CB-CG2 4.05Å; N39-Q47 PolarHBondContact ND2-NE2 2.95Å
40N89.3Confident88.5Confident115 Ų115103.5 Ų103.562%0.61551%0.509SS*.  trans-63.8152.9171.6-166.31.1000110.9L42 I43 T44N40-L42 PolarHBondContact O-N 2.91Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 PolarHBondContact O-N 3.23Å; N40-T44 PolarHBondContact O-N 3.28Å
41R89.5Confident88.7Confident212 Ų212107 Ų10780%0.852%0.521SS*.Hα-helixtrans-51.6-38-178.6-65.5-177-179.6-178.10.3113.1T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.43Å; R41-T44 PolarHBondContact O-N 3.13Å; R41-T44 PolarHBondContact O-OG1 3.5Å; R41-T45 WeakPolarHBondContact O-CG2 3.02Å; R41-T45 PolarHBondContact O-N 3.17Å; R41-T45 PolarHBondContact O-OG1 3.38Å
42L89.9Confident88.9Confident84 Ų84107.6 Ų107.644%0.4452%0.524SS..Hα-helixtrans-66.6-41.6178.2-175.5153.7000111.8P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.51Å; N40-L42 PolarHBondContact O-N 2.91Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-OG1 3.18Å; L42-Q46 VanDerWaalsContact CD2-CD 3.43Å; L42-Q46 HydrophobicContact CD2-CG 4.27Å; L42-Q46 WeakPolarHBondContact O-CB 3.2Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.19Å; L42-Q46 PolarHBondContact O-N 3.46Å
43I91.5Very high89Confident17 Ų17106.1 Ų106.19%0.08751%0.514CS..Hα-helixtrans-71.7-36.3179.5-61.1173.8000110P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CB-CG1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.99Å; S34-I43 WeakPolarHBondContact OG-CD1 3.33Å; N39-I43 HydrophobicContact CB-CB 3.96Å; N39-I43 HydrophobicContact CB-CG2 3.83Å; N40-I43 PolarHBondContact O-N 3.23Å; I43-Q46 PolarHBondContact O-N 3.03Å; I43-Q47 HydrophobicContact CG2-CG 4.24Å; I43-Q47 WeakPolarHBondContact O-CB 3.46Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.43Å; I43-Q47 PolarHBondContact O-N 3.26Å
44T91.4Very high89.1Confident63 Ų63101.2 Ų101.239%0.38749%0.486SS..Hα-helixtrans-67.4-40.3177.1600000112.1N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.05Å; N40-T44 PolarHBondContact O-N 3.28Å; R41-T44 WeakPolarHBondContact CA-OG1 3.43Å; R41-T44 PolarHBondContact O-N 3.13Å; R41-T44 PolarHBondContact O-OG1 3.5Å; T44-Q47 PolarHBondContact O-N 3.35Å; T44-W48 VanDerWaalsContact O-CB 3.3Å; T44-W48 WeakPolarHBondContact O-CB 3.3Å; T44-W48 PolarHBondContact O-N 2.99Å
45T91.2Very high89.2Confident86 Ų86106.6 Ų106.653%0.52850%0.504SS..Hα-helixtrans-67.2-39.7174.5570000111.8R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.02Å; R41-T45 PolarHBondContact O-N 3.17Å; R41-T45 PolarHBondContact O-OG1 3.38Å; L42-T45 PolarHBondContact O-OG1 3.18Å; T45-W48 PolarHBondContact O-N 3.46Å; T45-L49 WeakPolarHBondContact O-CB 3.4Å; T45-L49 PolarHBondContact O-N 2.85Å
46Q91.3Very high89.3Confident45 Ų45102.3 Ų102.321%0.2149%0.487CS..Hα-helixtrans-60.9-49.5173.5-76.6177.1-18.300111.9L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.42Å; L42-Q46 VanDerWaalsContact CD2-CD 3.43Å; L42-Q46 HydrophobicContact CD2-CG 4.27Å; L42-Q46 WeakPolarHBondContact O-CB 3.2Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.19Å; L42-Q46 PolarHBondContact O-N 3.46Å; I43-Q46 PolarHBondContact O-N 3.03Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.39Å; Q46-L49 PolarHBondContact O-N 3.42Å; Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.34Å; Q46-I50 PolarHBondContact O-N 2.83Å
47Q90.7Very high89.3Confident97 Ų9794.1 Ų94.145%0.45346%0.456SS..Hα-helixtrans-61.3-38.7177.7-74.6175.8-13.600112N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 2.95Å; I43-Q47 HydrophobicContact CG2-CG 4.24Å; I43-Q47 WeakPolarHBondContact O-CB 3.46Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.43Å; I43-Q47 PolarHBondContact O-N 3.26Å; T44-Q47 PolarHBondContact O-N 3.35Å; Q47-K51 WeakPolarHBondContact O-CB 3.35Å; Q47-K51 PolarHBondContact O-N 3.41Å
48W92.6Very high89.6Confident170 Ų17086.5 Ų86.564%0.64442%0.416SS*.Hα-helixtrans-63.7-45175.4-179.381.7000111.9T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.3Å; T44-W48 WeakPolarHBondContact O-CB 3.3Å; T44-W48 PolarHBondContact O-N 2.99Å; T45-W48 PolarHBondContact O-N 3.46Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.39Å; W48-K51 PolarHBondContact O-N 3.33Å; W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.41Å; W48-L52 VanDerWaalsContact CE2-CD1 3.46Å; W48-L52 HydrophobicContact CE3-CD1 3.82Å; W48-L52 HydrophobicContact CH2-CD1 3.44Å; W48-L52 VanDerWaalsContact CH2-CD1 3.44Å; W48-L52 HydrophobicContact CZ2-CD1 3.34Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.67Å; W48-L52 WeakPolarHBondContact O-CG 3.42Å; W48-L52 PolarHBondContact O-N 2.98Å
49L91.1Very high89.7Confident93 Ų9383 Ų8349%0.48740%0.402SS..Hα-helixtrans-64.4-42.9177.6-168.3147.3000111.8T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.4Å; T45-L49 PolarHBondContact O-N 2.85Å; Q46-L49 PolarHBondContact O-N 3.42Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.16Å; L49-L52 PolarHBondContact O-N 3.1Å; L49-T53 HydrophobicContact CD2-CG2 4.11Å; L49-T53 WeakPolarHBondContact O-CG2 3.3Å; L49-T53 PolarHBondContact O-N 3.41Å; L49-T53 PolarHBondContact O-OG1 3.14Å
50I91.7Very high89.1Confident61 Ų6188 Ų8831%0.31343%0.426SS..Hα-helixtrans-59.5-45.8174.8-68.9167.8000110.7Q46 L52 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.34Å; Q46-I50 PolarHBondContact O-N 2.83Å; I50-L52 PolarHBondContact O-N 3.48Å; I50-T53 WeakPolarHBondContact CA-OG1 3.23Å; I50-T53 PolarHBondContact O-OG1 3.27Å; I50-S54 VanDerWaalsContact O-CB 3.3Å; I50-S54 WeakPolarHBondContact O-CB 3.32Å; I50-S54 PolarHBondContact O-N 2.92Å; I50-S54 PolarHBondContact O-OG 3.15Å; I50-S54 VanDerWaalsContact O-OG 3.14Å; I50-V73 HydrophobicContact CG2-CG1 3.94Å; I50-I77 HydrophobicContact CD1-CD1 4.12Å; I50-I77 HydrophobicContact CG1-CD1 3.69Å
51K91.3Very high88.8Confident153 Ų15382.9 Ų82.967%0.66540%0.398SS*.Hα-helixtrans-64.4-39.5-179.9-175177.5-178.6178.40112.4Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.35Å; Q47-K51 PolarHBondContact O-N 3.41Å; W48-K51 PolarHBondContact O-N 3.33Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.16Å; K51-S54 PolarHBondContact O-OG 3.3Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 3.43Å; K51-K55 PolarHBondContact O-N 3.05Å
52L91.8Very high88.4Confident67 Ų6778.2 Ų78.235%0.35139%0.389SS..Hα-helixtrans-67.3-50.5177.8-76178.8000111.8W48 L49 I50 S54 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.41Å; W48-L52 VanDerWaalsContact CE2-CD1 3.46Å; W48-L52 HydrophobicContact CE3-CD1 3.82Å; W48-L52 HydrophobicContact CH2-CD1 3.44Å; W48-L52 VanDerWaalsContact CH2-CD1 3.44Å; W48-L52 HydrophobicContact CZ2-CD1 3.34Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.67Å; W48-L52 WeakPolarHBondContact O-CG 3.42Å; W48-L52 PolarHBondContact O-N 2.98Å; L49-L52 PolarHBondContact O-N 3.1Å; I50-L52 PolarHBondContact O-N 3.48Å; L52-S54 PolarHBondContact O-N 3.35Å; L52-K55 PolarHBondContact O-N 3.25Å; L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 3.15Å
53T89Confident88Confident25 Ų2579.2 Ų79.215%0.15340%0.399CS..Hα-helixtrans-61.5-45179.950.50000111.3L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.11Å; L49-T53 WeakPolarHBondContact O-CG2 3.3Å; L49-T53 PolarHBondContact O-N 3.41Å; L49-T53 PolarHBondContact O-OG1 3.14Å; I50-T53 WeakPolarHBondContact CA-OG1 3.23Å; I50-T53 PolarHBondContact O-OG1 3.27Å; T53-K55 VanDerWaalsContact C-N 3.34Å; T53-K55 PolarHBondContact O-N 2.78Å; T53-Q56 PolarHBondContact O-N 3.11Å; T53-M57 WeakPolarHBondContact O-CG 3.43Å; T53-M57 PolarHBondContact O-N 3.4Å
54S89.1Confident87.4Confident34 Ų3484.1 Ų84.124%0.23842%0.42CS..Hα-helixtrans-62-41.5176.272.30000111.8I50 K51 L52 M58I50-S54 VanDerWaalsContact O-CB 3.3Å; I50-S54 WeakPolarHBondContact O-CB 3.32Å; I50-S54 PolarHBondContact O-N 2.92Å; I50-S54 PolarHBondContact O-OG 3.15Å; I50-S54 VanDerWaalsContact O-OG 3.14Å; K51-S54 PolarHBondContact O-OG 3.3Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; L52-S54 PolarHBondContact O-N 3.35Å; S54-M58 VanDerWaalsContact O-CB 3.3Å; S54-M58 WeakPolarHBondContact O-CB 3.31Å; S54-M58 WeakPolarHBondContact O-CG 3.35Å; S54-M58 PolarHBondContact O-N 2.77Å
55K89.5Confident86.7Confident153 Ų15381.1 Ų81.167%0.66540%0.401SS*.Hα-helixtrans-63.7-45178.9-173-177.2-176.2-171.80111.1K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 3.43Å; K51-K55 PolarHBondContact O-N 3.05Å; L52-K55 PolarHBondContact O-N 3.25Å; T53-K55 VanDerWaalsContact C-N 3.34Å; T53-K55 PolarHBondContact O-N 2.78Å; K55-T59 WeakPolarHBondContact O-CG2 3.43Å; K55-T59 PolarHBondContact O-N 3.27Å
56Q87.3Confident86.4Confident126 Ų12683.6 Ų83.659%0.58940%0.401SS*.Hα-helixtrans-69.6-37.2-178-73.9-177.6-25.600113.3L52 T53 T59L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 3.15Å; T53-Q56 PolarHBondContact O-N 3.11Å; Q56-T59 PolarHBondContact O-OG1 3.24Å
57M85.2Confident86.2Confident14 Ų1486.3 Ų86.37%0.06942%0.42CS..Hα-helixtrans-75.5-37.2178.1-72.3-175.9174.700112.6T53 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.43Å; T53-M57 PolarHBondContact O-N 3.4Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.14Å; M57-H61 PolarHBondContact O-ND1 2.97Å; M57-L72 HydrophobicContact SD-CB 4.41Å; M57-I76 HydrophobicContact CE-CB 4.41Å; M57-I76 HydrophobicContact CE-CD1 3.56Å; M57-Y212 HydrophobicContact CE-CD2 4.42Å; M57-T215 WeakPolarHBondContact CE-OG1 3.36Å
58M85.4Confident86Confident18 Ų1884.2 Ų84.29%0.08941%0.409CS..Hα-helixtrans-83.2-8.1-173.9-61.8-19.5129.500114.2S54 M60 H61 R66 S69 L72 V73S54-M58 VanDerWaalsContact O-CB 3.3Å; S54-M58 WeakPolarHBondContact O-CB 3.31Å; S54-M58 WeakPolarHBondContact O-CG 3.35Å; S54-M58 PolarHBondContact O-N 2.77Å; M58-M60 PolarHBondContact O-N 2.76Å; M58-H61 PolarHBondContact O-N 2.85Å; M58-R66 HydrophobicContact CB-CG 4.41Å; M58-S69 WeakPolarHBondContact CE-OG 3.04Å; M58-L72 HydrophobicContact CE-CB 4.4Å; M58-L72 HydrophobicContact CE-CD1 4.34Å; M58-L72 HydrophobicContact SD-CD1 4.48Å; M58-V73 HydrophobicContact CE-CG2 4.16Å
59T85.1Confident85.8Confident84 Ų8477.6 Ų77.652%0.51539%0.388SS..THydrogen-bonded Turntrans-63-33.5173.548.70000112K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.43Å; K55-T59 PolarHBondContact O-N 3.27Å; Q56-T59 PolarHBondContact O-OG1 3.24Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.14Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.42Å
60M78Confident85.7Confident131 Ų13180.2 Ų80.265%0.64540%0.402SS*.THydrogen-bonded Turntrans-78.4-13.3179.9-59.5-64.3133.400113.1M58 H223M58-M60 PolarHBondContact O-N 2.76Å; M60-H223 PolarHBondContact O-CE1 3.48Å; M60-H223 PolarHBondContact O-ND1 2.97Å
61H82.9Confident85.7Confident7 Ų779.8 Ų79.83%0.03240%0.399CS..  trans-106.3139.7-167.9-70.381000113.8M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 2.97Å; M58-H61 PolarHBondContact O-N 2.85Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.42Å; H61-R66 HydrophobicContact CB-CG 4.32Å; H61-R66 PolarHBondContact O-NE 3.41Å; H61-S219 PolarHBondContact NE2-O 3.19Å
62N80.8Confident85.7Confident115 Ų11572.6 Ų72.662%0.61537%0.368SS*.  trans-75.8172.7171.2-151.9-4.9000111.6K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.3Å; N62-K64 PolarHBondContact O-N 2.93Å; N62-G65 PolarHBondContact O-N 2.92Å; N62-R66 PolarHBondContact O-N 3.09Å
63T80.3Confident85.7Confident104 Ų10470.1 Ų70.164%0.63836%0.355SS*.THydrogen-bonded Turntrans-54.5-39.4-172.955.80000114.2R66T63-R66 PolarHBondContact O-N 3.38Å
64K79.1Confident85.8Confident121 Ų12172.1 Ų72.153%0.52637%0.37SS..THydrogen-bonded Turntrans-66.5-44174.9-69.6-178.3-1791760112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.3Å; N62-K64 PolarHBondContact O-N 2.93Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.49Å; K64-T67 WeakPolarHBondContact O-CB 3.2Å; K64-T67 PolarHBondContact O-N 3.09Å; K64-T67 PolarHBondContact O-OG1 2.99Å
65G78.4Confident85.9Confident0 Ų071.4 Ų71.40%036%0.364CS..G310 helixtrans-64.6-31.8177.900000113N62 T67 W68 L222N62-G65 PolarHBondContact O-N 2.92Å; G65-T67 PolarHBondContact O-N 3.38Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 WeakPolarHBondContact O-CB 3.22Å; G65-W68 PolarHBondContact O-N 3.29Å; G65-L222 WeakPolarHBondContact O-CD2 3.45Å
66R83.8Confident86Confident138 Ų13864.9 Ų64.952%0.52134%0.336SS..G310 helixtrans-62.8-20.3176.1-71-179.3-176.3-175.70.7114.1M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.41Å; H61-R66 HydrophobicContact CB-CG 4.32Å; H61-R66 PolarHBondContact O-NE 3.41Å; N62-R66 PolarHBondContact O-N 3.09Å; T63-R66 PolarHBondContact O-N 3.38Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.49Å; R66-W68 PolarHBondContact O-N 2.87Å; R66-S69 WeakPolarHBondContact O-CB 3.46Å; R66-S69 PolarHBondContact O-N 3.33Å; R66-S69 VanDerWaalsContact O-N 3.1Å
67T86.5Confident86.2Confident101 Ų10160.5 Ų60.562%0.6232%0.316SS*.G310 helixtrans-63.1-26.6174.362.70000112.4K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.2Å; K64-T67 PolarHBondContact O-N 3.09Å; K64-T67 PolarHBondContact O-OG1 2.99Å; G65-T67 PolarHBondContact O-N 3.38Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.48Å
68W87.1Confident86.5Confident54 Ų5462.2 Ų62.221%0.20532%0.324CS..G310 helixtrans-840.5177-73.363.3000113.7G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.22Å; G65-W68 PolarHBondContact O-N 3.29Å; R66-W68 PolarHBondContact O-N 2.87Å; W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 2.64Å; W68-M71 HydrophobicContact CD2-CE 4.39Å; W68-M71 HydrophobicContact CE3-CE 3.18Å; W68-M71 HydrophobicContact CE3-SD 3.53Å; W68-M71 VanDerWaalsContact CE3-SD 3.53Å; W68-M71 HydrophobicContact CH2-SD 4.43Å; W68-M71 HydrophobicContact CZ3-CE 3.41Å; W68-M71 VanDerWaalsContact CZ3-CE 3.41Å; W68-M71 HydrophobicContact CZ3-SD 3.44Å; W68-M71 WeakPolarHBondContact CZ3-SD 3.5Å; W68-M71 WeakPolarHBondContact O-CB 3.44Å; W68-M71 PolarHBondContact O-N 3.17Å; W68-M71 VanDerWaalsContact O-N 3.08Å; W68-L72 PolarHBondContact O-N 3.05Å; W68-M115 HydrophobicContact CZ2-SD 4.03Å; W68-M115 PolarHBondContact NE1-SD 3.36Å; W68-L222 HydrophobicContact CB-CD1 4.29Å; W68-L222 HydrophobicContact CB-CD2 3.65Å; W68-L222 HydrophobicContact CD2-CD1 3.45Å; W68-L222 VanDerWaalsContact CD2-CD1 3.45Å; W68-L222 HydrophobicContact CD2-CD2 4.44Å; W68-L222 HydrophobicContact CE3-CD1 3.66Å; W68-L222 HydrophobicContact CG-CD1 3.68Å; W68-L222 HydrophobicContact CG-CD2 3.81Å; W68-L222 HydrophobicContact CG-CG 4.42Å; W68-L222 HydrophobicContact CZ2-CD1 4.42Å; W68-L222 HydrophobicContact CZ3-CD1 4.28Å
69S87.7Confident86.8Confident30 Ų3061.4 Ų61.421%0.2132%0.319CS..Hα-helixtrans-54.1-45.4-178174.40000112.5M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact CE-OG 3.04Å; R66-S69 WeakPolarHBondContact O-CB 3.46Å; R66-S69 PolarHBondContact O-N 3.33Å; R66-S69 VanDerWaalsContact O-N 3.1Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.48Å; S69-M71 VanDerWaalsContact C-N 3.3Å; S69-M71 PolarHBondContact O-N 2.94Å; S69-L72 PolarHBondContact O-N 3.41Å; S69-V73 WeakPolarHBondContact O-CB 3.32Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.42Å; S69-V73 PolarHBondContact O-N 3.17Å
70L90.9Very high87Confident149 Ų14958.8 Ų58.878%0.7831%0.306SS*.Hα-helixtrans-58.4-45.1179.2-171.196.1000111.2W68 S74W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 2.64Å; L70-S74 WeakPolarHBondContact O-CB 3.19Å; L70-S74 PolarHBondContact O-N 3.23Å; L70-S74 PolarHBondContact O-OG 3.39Å
71M91.4Very high87.7Confident52 Ų5254 Ų5426%0.25629%0.285SS..Hα-helixtrans-65.9-48.2-178-168.1-160.67600110.8W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.39Å; W68-M71 HydrophobicContact CE3-CE 3.18Å; W68-M71 HydrophobicContact CE3-SD 3.53Å; W68-M71 VanDerWaalsContact CE3-SD 3.53Å; W68-M71 HydrophobicContact CH2-SD 4.43Å; W68-M71 HydrophobicContact CZ3-CE 3.41Å; W68-M71 VanDerWaalsContact CZ3-CE 3.41Å; W68-M71 HydrophobicContact CZ3-SD 3.44Å; W68-M71 WeakPolarHBondContact CZ3-SD 3.5Å; W68-M71 WeakPolarHBondContact O-CB 3.44Å; W68-M71 PolarHBondContact O-N 3.17Å; W68-M71 VanDerWaalsContact O-N 3.08Å; S69-M71 VanDerWaalsContact C-N 3.3Å; S69-M71 PolarHBondContact O-N 2.94Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.36Å; M71-S74 PolarHBondContact O-N 3Å; M71-S74 PolarHBondContact O-OG 3.18Å; M71-L75 VanDerWaalsContact O-CB 3.28Å; M71-L75 WeakPolarHBondContact O-CB 3.47Å; M71-L75 PolarHBondContact O-N 3.03Å; M71-L108 HydrophobicContact CE-CD2 3.24Å; M71-L108 HydrophobicContact CG-CD2 4.3Å; M71-L108 HydrophobicContact SD-CD2 3.42Å; M71-L108 WeakPolarHBondContact SD-CD2 3.46Å
72L90.7Very high88.1Confident1 Ų153.9 Ų53.91%0.00529%0.285CS..Hα-helixtrans-59.9-43.4178.3-68.5174.5000112.2M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.41Å; M58-L72 HydrophobicContact CE-CB 4.4Å; M58-L72 HydrophobicContact CE-CD1 4.34Å; M58-L72 HydrophobicContact SD-CD1 4.48Å; W68-L72 PolarHBondContact O-N 3.05Å; S69-L72 PolarHBondContact O-N 3.41Å; L72-L75 PolarHBondContact O-N 3.49Å; L72-I76 PolarHBondContact O-N 2.8Å; L72-V218 HydrophobicContact CD2-CB 4.27Å; L72-V218 HydrophobicContact CD2-CG1 3.86Å
73V91.6Very high88.6Confident15 Ų1548.5 Ų48.59%0.09126%0.256CS..Hα-helixtrans-67.5-43.2178.4171.90000111.4I50 M58 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.94Å; M58-V73 HydrophobicContact CE-CG2 4.16Å; S69-V73 WeakPolarHBondContact O-CB 3.32Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.42Å; S69-V73 PolarHBondContact O-N 3.17Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.36Å; V73-L75 PolarHBondContact O-N 3.29Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.46Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.3Å; V73-I77 WeakPolarHBondContact O-CD1 3.19Å; V73-I77 VanDerWaalsContact O-CG1 3.23Å; V73-I77 WeakPolarHBondContact O-CG1 3.36Å; V73-I77 PolarHBondContact O-N 3Å
74S91.6Very high89Confident67 Ų6748.2 Ų48.247%0.46925%0.25SC..Hα-helixtrans-60.7-36.4175.870.50000111.7L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.19Å; L70-S74 PolarHBondContact O-N 3.23Å; L70-S74 PolarHBondContact O-OG 3.39Å; M71-S74 PolarHBondContact O-N 3Å; M71-S74 PolarHBondContact O-OG 3.18Å; S74-F78 VanDerWaalsContact O-CB 3.31Å; S74-F78 WeakPolarHBondContact O-CB 3.44Å; S74-F78 PolarHBondContact O-N 3.12Å
75L91.1Very high89.5Confident19 Ų1944.1 Ų44.110%0.09923%0.233CC..Hα-helixtrans-76.1-41.9-175.2-169.8135.9000112.9M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.28Å; M71-L75 WeakPolarHBondContact O-CB 3.47Å; M71-L75 PolarHBondContact O-N 3.03Å; L72-L75 PolarHBondContact O-N 3.49Å; V73-L75 PolarHBondContact O-N 3.29Å; L75-I77 VanDerWaalsContact C-N 3.27Å; L75-I77 PolarHBondContact O-N 3.39Å; L75-F78 PolarHBondContact O-N 3.39Å; L75-I79 HydrophobicContact CD2-CD1 3.46Å; L75-I79 VanDerWaalsContact CD2-CD1 3.46Å; L75-I79 HydrophobicContact CD2-CG1 4.34Å; L75-I79 HydrophobicContact CG-CD1 4.05Å; L75-I79 WeakPolarHBondContact O-CG1 3.37Å; L75-I79 PolarHBondContact O-N 3.17Å; L75-L108 HydrophobicContact CD1-CD1 3.15Å; L75-L108 HydrophobicContact CD1-CD2 4.06Å; L75-L108 HydrophobicContact CD1-CG 4.21Å; L75-F214 HydrophobicContact CD1-CE1 4.27Å; L75-F214 HydrophobicContact CD2-CD1 3.45Å; L75-F214 VanDerWaalsContact CD2-CD1 3.45Å; L75-F214 HydrophobicContact CD2-CE1 3.53Å; L75-F214 HydrophobicContact CG-CE1 4.47Å; L75-T215 HydrophobicContact CD2-CG2 3.3Å
76I91.6Very high89.9Confident16 Ų1644.2 Ų44.28%0.08223%0.234CC..Hα-helixtrans-61.4-41.1175-169.2167.3000110.8M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.41Å; M57-I76 HydrophobicContact CE-CD1 3.56Å; L72-I76 PolarHBondContact O-N 2.8Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.46Å; I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 2.92Å; I76-A211 HydrophobicContact CG1-CB 4.45Å; I76-Y212 HydrophobicContact CD1-CD2 4.18Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.47Å; I76-T215 VanDerWaalsContact CB-CG2 3.47Å; I76-T215 HydrophobicContact CG1-CG2 4.05Å
77I91.7Very high90Very high35 Ų3539.4 Ų39.418%0.17922%0.219CC..Hα-helixtrans-67.5-42.1179.3-63.5165.6000110.5I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.39Å; I31-I77 HydrophobicContact CG1-CG2 4.47Å; I50-I77 HydrophobicContact CD1-CD1 4.12Å; I50-I77 HydrophobicContact CG1-CD1 3.69Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.3Å; V73-I77 WeakPolarHBondContact O-CD1 3.19Å; V73-I77 VanDerWaalsContact O-CG1 3.23Å; V73-I77 WeakPolarHBondContact O-CG1 3.36Å; V73-I77 PolarHBondContact O-N 3Å; L75-I77 VanDerWaalsContact C-N 3.27Å; L75-I77 PolarHBondContact O-N 3.39Å; I77-T81 HydrophobicContact CG2-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.37Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.39Å; I77-T81 PolarHBondContact O-N 3.09Å; I77-T81 PolarHBondContact O-OG1 3.38Å
78F91.1Very high90.1Very high50 Ų5039.4 Ų39.422%0.21922%0.215CC..Hα-helixtrans-62.4-49177.9-179.8-102.7000112.5I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.35Å; S74-F78 VanDerWaalsContact O-CB 3.31Å; S74-F78 WeakPolarHBondContact O-CB 3.44Å; S74-F78 PolarHBondContact O-N 3.12Å; L75-F78 PolarHBondContact O-N 3.39Å; F78-T81 PolarHBondContact O-OG1 2.98Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; F78-T82 HydrophobicContact CD2-CG2 4.34Å; F78-T82 HydrophobicContact CE1-CG2 4.21Å; F78-T82 HydrophobicContact CE2-CG2 3.95Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CB 3.24Å; F78-T82 WeakPolarHBondContact O-CG2 3.28Å; F78-T82 PolarHBondContact O-N 3.36Å; F78-T82 PolarHBondContact O-OG1 2.95Å; F78-M100 HydrophobicContact CE1-CE 3.89Å; F78-M100 HydrophobicContact CZ-CE 3.79Å; F78-M104 HydrophobicContact CD1-SD 3.92Å; F78-M104 HydrophobicContact CE1-CE 4.41Å; F78-M104 HydrophobicContact CE1-SD 3.59Å; F78-M104 VanDerWaalsContact CE1-SD 3.59Å
79I91.2Very high89.9Confident0 Ų042.1 Ų42.10%024%0.239CC..Hα-helixtrans-68.4-41.9-179.8-60.8175000110.7L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD2-CD1 3.46Å; L75-I79 VanDerWaalsContact CD2-CD1 3.46Å; L75-I79 HydrophobicContact CD2-CG1 4.34Å; L75-I79 HydrophobicContact CG-CD1 4.05Å; L75-I79 WeakPolarHBondContact O-CG1 3.37Å; L75-I79 PolarHBondContact O-N 3.17Å; I79-T81 PolarHBondContact O-N 3.26Å; I79-T82 WeakPolarHBondContact CA-OG1 3.39Å; I79-T82 PolarHBondContact O-OG1 3.14Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.42Å; I79-N83 WeakPolarHBondContact O-CB 3.1Å; I79-N83 PolarHBondContact O-N 2.97Å; I79-N83 PolarHBondContact O-ND2 2.96Å; I79-L160 HydrophobicContact CG2-CD1 4.07Å; I79-L160 HydrophobicContact CG2-CD2 4.15Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; I79-F214 HydrophobicContact CD1-CB 4.27Å; I79-F214 HydrophobicContact CD1-CD1 3.51Å; I79-F214 HydrophobicContact CD1-CD2 4.2Å; I79-F214 HydrophobicContact CD1-CE1 3.83Å; I79-F214 HydrophobicContact CD1-CE2 4.44Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.28Å
80A90.7Very high89.7Confident29 Ų2952.5 Ų52.524%0.2428%0.275CS..Hα-helixtrans-63.3-43.3179.200000112I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 2.92Å; A80-L84 VanDerWaalsContact O-CB 3.23Å; A80-L84 WeakPolarHBondContact O-CB 3.03Å; A80-L84 PolarHBondContact O-N 3.33Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T91.1Very high89.4Confident31 Ų3147.1 Ų47.119%0.1925%0.25CS..Hα-helixtrans-69.3-46.7179.2520000111.9P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 2.9Å; I77-T81 HydrophobicContact CG2-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.37Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.39Å; I77-T81 PolarHBondContact O-N 3.09Å; I77-T81 PolarHBondContact O-OG1 3.38Å; F78-T81 PolarHBondContact O-OG1 2.98Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; I79-T81 PolarHBondContact O-N 3.26Å; T81-N83 VanDerWaalsContact C-N 3.35Å; T81-N83 PolarHBondContact O-N 2.89Å; T81-L84 PolarHBondContact O-N 2.83Å; T81-L85 WeakPolarHBondContact O-CB 3.35Å; T81-L85 WeakPolarHBondContact O-CD1 3.36Å; T81-L85 PolarHBondContact O-N 3.26Å
82T90.9Very high89Confident5 Ų546 Ų463%0.03124%0.244CC..Hα-helixtrans-59-43.317747.30000112.8P27 F78 I79 G86 P94P27-T82 HydrophobicContact CB-CG2 4.26Å; P27-T82 HydrophobicContact CG-CG2 3.52Å; F78-T82 HydrophobicContact CD2-CG2 4.34Å; F78-T82 HydrophobicContact CE1-CG2 4.21Å; F78-T82 HydrophobicContact CE2-CG2 3.95Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CB 3.24Å; F78-T82 WeakPolarHBondContact O-CG2 3.28Å; F78-T82 PolarHBondContact O-N 3.36Å; F78-T82 PolarHBondContact O-OG1 2.95Å; I79-T82 WeakPolarHBondContact CA-OG1 3.39Å; I79-T82 PolarHBondContact O-OG1 3.14Å; T82-G86 PolarHBondContact O-N 3.09Å; T82-G86 VanDerWaalsContact O-N 3.09Å; T82-P94 HydrophobicContact CG2-CG 4.5Å
83N91.1Very high88.7Confident2 Ų246.2 Ų46.21%0.01125%0.245CC..Hα-helixtrans-68.3-41.9178.6-66.8-11.4000112.1I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.42Å; I79-N83 WeakPolarHBondContact O-CB 3.1Å; I79-N83 PolarHBondContact O-N 2.97Å; I79-N83 PolarHBondContact O-ND2 2.96Å; T81-N83 VanDerWaalsContact C-N 3.35Å; T81-N83 PolarHBondContact O-N 2.89Å; N83-G86 WeakPolarHBondContact O-CA 3.3Å; N83-G86 PolarHBondContact O-N 3.34Å; N83-G86 VanDerWaalsContact O-N 3.13Å; N83-L87 PolarHBondContact O-N 2.78Å; N83-T95 WeakPolarHBondContact OD1-CB 3.28Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.5Å; N83-T95 PolarHBondContact OD1-OG1 2.89Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.27Å; N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-I164 VanDerWaalsContact CG-CD1 3.41Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.25Å; N83-A207 HydrophobicContact CB-CB 3.93Å; N83-A207 PolarHBondContact ND2-O 3.04Å
84L89.8Confident88.3Confident97 Ų9746 Ų4651%0.50824%0.244SC..Hα-helixtrans-70.5-39.1-178.2-169.1140.6000112.1A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.23Å; A80-L84 WeakPolarHBondContact O-CB 3.03Å; A80-L84 PolarHBondContact O-N 3.33Å; T81-L84 PolarHBondContact O-N 2.83Å; L84-G86 PolarHBondContact O-N 3.48Å; L84-L87 PolarHBondContact O-N 2.92Å
85L89.9Confident88Confident35 Ų3542.8 Ų42.818%0.18322%0.222CC..Hα-helixtrans-61.1-33.1170-92.484.3000111.7F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.32Å; F26-L85 HydrophobicContact CE1-CD2 3.54Å; L30-L85 HydrophobicContact CD1-CD1 3.47Å; L30-L85 VanDerWaalsContact CD1-CD1 3.47Å; L30-L85 HydrophobicContact CD1-CD2 3.81Å; L30-L85 HydrophobicContact CD1-CG 4.11Å; T81-L85 WeakPolarHBondContact O-CB 3.35Å; T81-L85 WeakPolarHBondContact O-CD1 3.36Å; T81-L85 PolarHBondContact O-N 3.26Å; L85-L87 PolarHBondContact O-N 3.39Å; L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.34Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.48Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-L88 VanDerWaalsContact O-N 3.14Å; L85-S91 PolarHBondContact O-OG 3.3Å
86G85.9Confident87.8Confident2 Ų242.4 Ų42.42%0.02122%0.22CC..Hα-helixtrans-59.2-31.2178.200000116.6T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.09Å; T82-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 WeakPolarHBondContact O-CA 3.3Å; N83-G86 PolarHBondContact O-N 3.34Å; N83-G86 VanDerWaalsContact O-N 3.13Å; L84-G86 PolarHBondContact O-N 3.48Å; G86-L88 PolarHBondContact O-N 3.09Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.1Å; G86-S91 PolarHBondContact O-OG 2.75Å; G86-H168 PolarHBondContact O-CE1 2.95Å; G86-H168 PolarHBondContact O-NE2 3.29Å; G86-H168 VanDerWaalsContact O-NE2 3.12Å
87L86.7Confident87.7Confident38 Ų3844.8 Ų44.820%0.19923%0.231CC..THydrogen-bonded Turntrans-76.8-6.4179.8-61.3175000112.6N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 2.78Å; L84-L87 PolarHBondContact O-N 2.92Å; L85-L87 PolarHBondContact O-N 3.39Å; L87-M171 HydrophobicContact CD2-CE 3.97Å; L87-E203 HydrophobicContact CD1-CG 4.44Å; L87-E203 HydrophobicContact CD2-CB 4.16Å; L87-E203 HydrophobicContact CD2-CG 3.39Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; L87-A207 HydrophobicContact CD1-CB 4.06Å
88L87.8Confident87.4Confident101 Ų10146.3 Ų46.353%0.52924%0.239SC..SBendtrans-67.1143.6175-64.9173.7000110.5L85 G86 Y90 S91L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.34Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.48Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-L88 VanDerWaalsContact O-N 3.14Å; G86-L88 PolarHBondContact O-N 3.09Å; L88-Y90 PolarHBondContact O-N 3.41Å; L88-S91 WeakPolarHBondContact O-CB 3.46Å; L88-S91 PolarHBondContact O-N 3.35Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 3.3Å
89P82.9Confident87.3Confident110 Ų11048 Ų4871%0.71426%0.257SS*.THydrogen-bonded Turntrans-59134.5-178.825.4-34.4000110.7S91P89-S91 PolarHBondContact O-N 3.36Å; P89-S91 VanDerWaalsContact O-N 3.13Å
90Y83.2Confident87.2Confident249 Ų24949.8 Ų49.898%0.97627%0.266SS*.THydrogen-bonded Turntrans59.414.6-179.1-53.8-74.1000115.8L88L88-Y90 PolarHBondContact O-N 3.41Å
91S84.9Confident87.1Confident36 Ų3648.4 Ų48.425%0.25225%0.254SS..  trans-81141.7173.172.80000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.3Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.1Å; G86-S91 PolarHBondContact O-OG 2.75Å; L88-S91 WeakPolarHBondContact O-CB 3.46Å; L88-S91 PolarHBondContact O-N 3.35Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 3.3Å; P89-S91 PolarHBondContact O-N 3.36Å; P89-S91 VanDerWaalsContact O-N 3.13Å
92F83Confident86.9Confident29 Ų2949.1 Ų49.113%0.12726%0.257CS..  trans-89.5124.2172172-94.2000109.5S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.41Å; P12-F92 HydrophobicContact CG-CB 4.43Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.1Å; A20-F92 HydrophobicContact CB-CE1 4.41Å; I23-F92 HydrophobicContact CD1-CB 4.03Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.34Å; I23-F92 HydrophobicContact CG2-CD1 4.46Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.41Å; F92-Q97 HydrophobicContact CZ-CG 4.19Å
93T84.4Confident86.8Confident4 Ų452 Ų523%0.02528%0.281CS..  trans-92.7111.717829.10000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.37Å; T93-T96 PolarHBondContact O-N 3.08Å; T93-T96 PolarHBondContact O-OG1 2.89Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.4Å; T93-I164 HydrophobicContact CG2-CG2 4.28Å
94P83.5Confident86.6Confident10 Ų1053.2 Ų53.27%0.06529%0.287CS..G310 helixtrans-64.1-23.7176.526.1-33.5000112.7I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.29Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.06Å; T82-P94 HydrophobicContact CG2-CG 4.5Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.41Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.42Å; P94-Q97 PolarHBondContact O-N 3.47Å; P94-M100 HydrophobicContact CB-CG 4.47Å; P94-M100 WeakPolarHBondContact O-CB 3.07Å
95T85.8Confident86.5Confident1 Ų148.7 Ų48.71%0.00626%0.263CS..G310 helixtrans-75.4-7.3179.351.40000114.3N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.28Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.5Å; N83-T95 PolarHBondContact OD1-OG1 2.89Å; T93-T95 PolarHBondContact O-N 3.37Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 3.45Å; T95-L160 HydrophobicContact CG2-CD2 4.49Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.45Å
96T86.1Confident86.4Confident10 Ų1050.9 Ų50.96%0.06128%0.275CS..G310 helixtrans-74.4-27.2169.756.70000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.83Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 3.08Å; T93-T96 PolarHBondContact O-OG1 2.89Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.4Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.42Å; T96-L98 PolarHBondContact O-N 3.38Å; T96-T161 WeakPolarHBondContact O-CG2 3.25Å; T96-I164 HydrophobicContact CG2-CB 4.38Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; T96-T165 HydrophobicContact CG2-CG2 3.74Å
97Q89.4Confident86.6Confident66 Ų6654.6 Ų54.631%0.30830%0.298SS..SBendtrans-77.8120.1178.1-65.5-62.1-32.100109.9F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.45Å; F92-Q97 HydrophobicContact CZ-CG 4.19Å; P94-Q97 PolarHBondContact O-N 3.47Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 2.98Å; Q97-M100 PolarHBondContact O-N 3.41Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; Q97-N101 PolarHBondContact O-N 3.27Å
98L87.3Confident86.6Confident68 Ų6853.6 Ų53.636%0.35629%0.293SS..Hα-helixtrans-57.8-32.8178.5-176.863.4000112.2T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.38Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.28Å; L98-N101 PolarHBondContact O-N 3.03Å; L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 PolarHBondContact O-N 3.29Å; L98-M154 HydrophobicContact CD2-CE 4.07Å; L98-A157 HydrophobicContact CD1-CB 4.35Å; L98-V158 HydrophobicContact CD1-CG2 3.93Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å
99S88.6Confident86.6Confident84 Ų8450.7 Ų50.759%0.58728%0.275SS*.Hα-helixtrans-56.9-44.317656.40000112.6Q97 A103Q97-S99 PolarHBondContact O-N 2.98Å; S99-A103 WeakPolarHBondContact O-CB 3.45Å; S99-A103 PolarHBondContact O-N 3.22Å
100M87.8Confident86.8Confident39 Ų3946.7 Ų46.719%0.19225%0.251CS..Hα-helixtrans-65.5-47.4-179.3-174.666.8-171.400110.9I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-CE 4.44Å; I24-M100 HydrophobicContact CD1-SD 4.09Å; I24-M100 HydrophobicContact CG1-CE 4.49Å; I24-M100 HydrophobicContact CG2-CE 4.11Å; F78-M100 HydrophobicContact CE1-CE 3.89Å; F78-M100 HydrophobicContact CZ-CE 3.79Å; P94-M100 HydrophobicContact CB-CG 4.47Å; P94-M100 WeakPolarHBondContact O-CB 3.07Å; Q97-M100 PolarHBondContact O-N 3.41Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.28Å; M100-L102 PolarHBondContact O-N 3.15Å; M100-A103 PolarHBondContact O-N 2.84Å; M100-M104 HydrophobicContact CE-CE 4.22Å; M100-M104 HydrophobicContact CE-SD 4.28Å; M100-M104 HydrophobicContact CG-CE 3.89Å; M100-M104 PolarHBondContact O-N 2.97Å; M100-M104 VanDerWaalsContact O-N 3.09Å
101N88.8Confident86.9Confident0 Ų035.9 Ų35.90%022%0.216CC..Hα-helixtrans-68.4-37.4-178.3-66.3-7.7000112T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.45Å; Q97-N101 PolarHBondContact O-N 3.27Å; L98-N101 PolarHBondContact O-N 3.03Å; N101-M104 PolarHBondContact O-N 2.89Å; N101-A105 VanDerWaalsContact O-CB 3.32Å; N101-A105 WeakPolarHBondContact O-CB 3.38Å; N101-A105 PolarHBondContact O-N 3.37Å; N101-A157 HydrophobicContact CB-CB 3.94Å; N101-A157 PolarHBondContact ND2-O 3.1Å; N101-L160 HydrophobicContact CB-CD2 4.36Å; N101-L160 VanDerWaalsContact CG-CD2 3.45Å; N101-L160 WeakPolarHBondContact ND2-CB 3.16Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.5Å; N101-L160 VanDerWaalsContact ND2-CG 3.3Å; N101-L160 WeakPolarHBondContact ND2-CG 3.31Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.37Å; N101-T161 HydrophobicContact CB-CG2 4.29Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.45Å; N101-T161 PolarHBondContact ND2-N 3.07Å
102L86.8Confident86.9Confident45 Ų4534.2 Ų34.224%0.23620%0.204CC..Hα-helixtrans-70.1-38.7177.3-163.865.9000111.5L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 PolarHBondContact O-N 3.29Å; M100-L102 PolarHBondContact O-N 3.15Å; L102-M104 PolarHBondContact O-N 3.38Å; L102-A105 PolarHBondContact O-N 3.14Å; L102-I106 HydrophobicContact CD1-CD1 3.73Å; L102-I106 HydrophobicContact CD1-CG1 3.82Å; L102-I106 HydrophobicContact CD2-CD1 4Å; L102-I106 HydrophobicContact CG-CD1 3.5Å; L102-I106 HydrophobicContact CG-CG1 3.97Å; L102-I106 WeakPolarHBondContact O-CG1 3.31Å; L102-I106 PolarHBondContact O-N 3.42Å; L102-M154 HydrophobicContact CD1-SD 3.46Å; L102-M154 WeakPolarHBondContact CD1-SD 3.5Å; L102-M154 HydrophobicContact CD2-SD 4.24Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 4.09Å
103A89.4Confident86.9Confident66 Ų6633.6 Ų33.655%0.54520%0.203SC..Hα-helixtrans-62.8-29.6173.300000112.7S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.45Å; S99-A103 PolarHBondContact O-N 3.22Å; M100-A103 PolarHBondContact O-N 2.84Å; A103-P107 WeakPolarHBondContact O-CD 3.5Å; A103-P107 WeakPolarHBondContact O-CG 3.49Å
104M86.6Confident87Confident27 Ų2738 Ų3813%0.13323%0.225CC..Hα-helixtrans-78.5-47.5170.8-70.5-175.8-76.500112.1F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.92Å; F78-M104 HydrophobicContact CE1-CE 4.41Å; F78-M104 HydrophobicContact CE1-SD 3.59Å; F78-M104 VanDerWaalsContact CE1-SD 3.59Å; M100-M104 HydrophobicContact CE-CE 4.22Å; M100-M104 HydrophobicContact CE-SD 4.28Å; M100-M104 HydrophobicContact CG-CE 3.89Å; M100-M104 PolarHBondContact O-N 2.97Å; M100-M104 VanDerWaalsContact O-N 3.09Å; N101-M104 PolarHBondContact O-N 2.89Å; L102-M104 PolarHBondContact O-N 3.38Å; M104-L108 WeakPolarHBondContact O-CD1 3.37Å; M104-L108 WeakPolarHBondContact O-CG 3.41Å
105A87.2Confident86.9Confident2 Ų239.7 Ų39.72%0.01723%0.233CC..Hα-helixtrans-69.5-44.6-171.300000113.8N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.32Å; N101-A105 WeakPolarHBondContact O-CB 3.38Å; N101-A105 PolarHBondContact O-N 3.37Å; L102-A105 PolarHBondContact O-N 3.14Å; A105-L108 PolarHBondContact O-N 3.21Å; A105-W109 WeakPolarHBondContact O-CB 3.29Å; A105-W109 PolarHBondContact O-N 3.38Å; A105-L156 HydrophobicContact CB-CD2 4.32Å; A105-A157 HydrophobicContact CB-CB 4.22Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.19Å
106I88.7Confident86.6Confident81 Ų8139.6 Ų39.642%0.41523%0.232SC..Hα-helixtrans-62.8-50.3-174.7-66176.5000111.9L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.73Å; L102-I106 HydrophobicContact CD1-CG1 3.82Å; L102-I106 HydrophobicContact CD2-CD1 4Å; L102-I106 HydrophobicContact CG-CD1 3.5Å; L102-I106 HydrophobicContact CG-CG1 3.97Å; L102-I106 WeakPolarHBondContact O-CG1 3.31Å; L102-I106 PolarHBondContact O-N 3.42Å; I106-L108 VanDerWaalsContact C-N 3.33Å; I106-L108 PolarHBondContact O-N 3.32Å; I106-W109 PolarHBondContact O-N 3.3Å; I106-A110 WeakPolarHBondContact O-CB 3.45Å; I106-A110 PolarHBondContact O-N 3.47Å
107P89.7Confident86.4Confident80 Ų8043 Ų4352%0.51925%0.246SC..Hα-helixtrans-64.2-36.7-178.4-24.536.6000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.5Å; A103-P107 WeakPolarHBondContact O-CG 3.49Å; P107-G111 PolarHBondContact O-N 3.4Å
108L88.1Confident85.9Confident18 Ų1850.2 Ų50.29%0.09427%0.271CS..Hα-helixtrans-66.3-47.4178.4-67.7165.4000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.24Å; M71-L108 HydrophobicContact CG-CD2 4.3Å; M71-L108 HydrophobicContact SD-CD2 3.42Å; M71-L108 WeakPolarHBondContact SD-CD2 3.46Å; L75-L108 HydrophobicContact CD1-CD1 3.15Å; L75-L108 HydrophobicContact CD1-CD2 4.06Å; L75-L108 HydrophobicContact CD1-CG 4.21Å; M104-L108 WeakPolarHBondContact O-CD1 3.37Å; M104-L108 WeakPolarHBondContact O-CG 3.41Å; A105-L108 PolarHBondContact O-N 3.21Å; I106-L108 VanDerWaalsContact C-N 3.33Å; I106-L108 PolarHBondContact O-N 3.32Å; L108-G111 PolarHBondContact O-N 3.44Å; L108-A112 PolarHBondContact O-N 3.18Å; L108-F214 HydrophobicContact CD1-CE1 4.04Å; L108-F214 HydrophobicContact CD1-CZ 4.4Å; L108-V218 HydrophobicContact CB-CG1 4.37Å
109W86.9Confident85.2Confident39 Ų3949.2 Ų49.215%0.14827%0.269CS..Hα-helixtrans-63.6-47.1176.3171.989.2000111.1A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.29Å; A105-W109 PolarHBondContact O-N 3.38Å; I106-W109 PolarHBondContact O-N 3.3Å; W109-G111 VanDerWaalsContact C-N 3.29Å; W109-G111 PolarHBondContact O-N 2.88Å; W109-A112 PolarHBondContact O-N 2.92Å; W109-A112 VanDerWaalsContact O-N 3.16Å; W109-V113 HydrophobicContact CD2-CG2 4.12Å; W109-V113 HydrophobicContact CH2-CG2 4.43Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.37Å; W109-V113 PolarHBondContact O-N 3.31Å; W109-L149 HydrophobicContact CH2-CD2 4.19Å; W109-L149 HydrophobicContact CZ2-CD2 3.49Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.49Å; W109-L149 HydrophobicContact CZ2-CG 3.96Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.07Å; W109-L149 PolarHBondContact NE1-O 3.18Å; W109-L150 HydrophobicContact CH2-CD2 3.76Å; W109-L150 HydrophobicContact CZ2-CD2 4.27Å; W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.39Å; W109-P153 HydrophobicContact CD2-CB 4.25Å; W109-P153 HydrophobicContact CD2-CG 3.77Å; W109-P153 HydrophobicContact CE3-CG 4.26Å; W109-P153 HydrophobicContact CG-CB 3.82Å; W109-P153 HydrophobicContact CG-CG 3.81Å
110A86.1Confident84.5Confident26 Ų2649.5 Ų49.522%0.21526%0.26CS..Hα-helixtrans-60.5-41.4178.200000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.45Å; I106-A110 PolarHBondContact O-N 3.47Å; A110-V113 PolarHBondContact O-N 2.98Å; A110-I114 HydrophobicContact CB-CD1 4.49Å; A110-I114 VanDerWaalsContact O-CB 3.29Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.44Å; A110-I114 WeakPolarHBondContact O-CG1 3.34Å; A110-I114 PolarHBondContact O-N 2.7Å
111G86Confident83.7Confident22 Ų2252.7 Ų52.723%0.22728%0.277CS..Hα-helixtrans-59.3-45.4174.700000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.4Å; L108-G111 PolarHBondContact O-N 3.44Å; W109-G111 VanDerWaalsContact C-N 3.29Å; W109-G111 PolarHBondContact O-N 2.88Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.43Å; G111-M115 PolarHBondContact O-N 3.36Å
112A84.3Confident82.8Confident2 Ų261.6 Ų61.62%0.01732%0.316CS..Hα-helixtrans-63.7-46177.300000112L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.18Å; W109-A112 PolarHBondContact O-N 2.92Å; W109-A112 VanDerWaalsContact O-N 3.16Å; A112-M115 PolarHBondContact O-N 2.93Å; A112-G116 PolarHBondContact O-N 3Å; A112-L222 HydrophobicContact CB-CD1 4.42Å
113V84Confident82.1Confident15 Ų1563.1 Ų63.19%0.09132%0.324CS..Hα-helixtrans-65.1-46.3179.11740000111.3W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.12Å; W109-V113 HydrophobicContact CH2-CG2 4.43Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.37Å; W109-V113 PolarHBondContact O-N 3.31Å; A110-V113 PolarHBondContact O-N 2.98Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.07Å; V113-G116 PolarHBondContact O-N 3.18Å; V113-G116 VanDerWaalsContact O-N 3.13Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.41Å; V113-F117 VanDerWaalsContact CG1-CE2 3.41Å; V113-F117 VanDerWaalsContact O-CD2 3.24Å; V113-F117 WeakPolarHBondContact O-CD2 3.44Å; V113-F117 PolarHBondContact O-N 2.84Å
114I85.3Confident81.1Confident98 Ų9860.5 Ų60.550%0.50330%0.301SS..Hα-helixtrans-61.1-39.1177-68163.9000110.7A110 G116 F117 R118A110-I114 HydrophobicContact CB-CD1 4.49Å; A110-I114 VanDerWaalsContact O-CB 3.29Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.44Å; A110-I114 WeakPolarHBondContact O-CG1 3.34Å; A110-I114 PolarHBondContact O-N 2.7Å; I114-G116 VanDerWaalsContact C-N 3.34Å; I114-F117 PolarHBondContact O-N 3.49Å; I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 2.98Å; I114-R118 VanDerWaalsContact O-CG 3.32Å; I114-R118 WeakPolarHBondContact O-CG 3.3Å; I114-R118 PolarHBondContact O-N 3.3Å
115M82.9Confident80.2Confident44 Ų4463.6 Ų63.622%0.21732%0.318CS..Hα-helixtrans-65.2-38175.9-173.8169.3179.600112.2W68 G111 A112 V113 R118 S119 T226W68-M115 HydrophobicContact CZ2-SD 4.03Å; W68-M115 PolarHBondContact NE1-SD 3.36Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.43Å; G111-M115 PolarHBondContact O-N 3.36Å; A112-M115 PolarHBondContact O-N 2.93Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.07Å; M115-R118 PolarHBondContact O-N 3.17Å; M115-S119 WeakPolarHBondContact O-CB 3.31Å; M115-S119 PolarHBondContact O-N 3.27Å; M115-S119 PolarHBondContact O-OG 2.85Å; M115-S119 VanDerWaalsContact O-OG 3.1Å; M115-T226 HydrophobicContact CE-CG2 4.25Å
116G79.6Confident79.3Confident0 Ų066.2 Ų66.20%034%0.34CS..Hα-helixtrans-60.6-53.1172.500000112.4A112 V113 I114 R118 S119 K120 T124 N225A112-G116 PolarHBondContact O-N 3Å; V113-G116 PolarHBondContact O-N 3.18Å; V113-G116 VanDerWaalsContact O-N 3.13Å; I114-G116 VanDerWaalsContact C-N 3.34Å; G116-R118 VanDerWaalsContact C-N 3.27Å; G116-R118 PolarHBondContact O-N 3.19Å; G116-S119 PolarHBondContact O-N 3.28Å; G116-S119 VanDerWaalsContact O-N 3.16Å; G116-S119 PolarHBondContact O-OG 3.42Å; G116-K120 PolarHBondContact O-N 3.11Å; G116-T124 VanDerWaalsContact C-CG2 3.49Å; G116-N225 VanDerWaalsContact CA-O 3.23Å; G116-N225 WeakPolarHBondContact CA-O 3.26Å
117F80.3Confident78.3Confident80 Ų8067.9 Ų67.935%0.35135%0.345SS..Hα-helixtrans-58.3-39.5176.8-80.3-69.7000112V113 I114 I121 L125V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.41Å; V113-F117 VanDerWaalsContact CG1-CE2 3.41Å; V113-F117 VanDerWaalsContact O-CD2 3.24Å; V113-F117 WeakPolarHBondContact O-CD2 3.44Å; V113-F117 PolarHBondContact O-N 2.84Å; I114-F117 PolarHBondContact O-N 3.49Å; F117-I121 WeakPolarHBondContact O-CG1 3.21Å; F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.69Å
118R79.5Confident77.3Confident218 Ų21865.9 Ų65.982%0.82333%0.329SS*.Hα-helixtrans-70.5-33.6178.4-73.7-179.469.3-167.71.8113.7I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 2.98Å; I114-R118 VanDerWaalsContact O-CG 3.32Å; I114-R118 WeakPolarHBondContact O-CG 3.3Å; I114-R118 PolarHBondContact O-N 3.3Å; M115-R118 PolarHBondContact O-N 3.17Å; G116-R118 VanDerWaalsContact C-N 3.27Å; G116-R118 PolarHBondContact O-N 3.19Å
119S72.9Confident76.3Confident47 Ų4767.9 Ų67.933%0.32934%0.339SS..Hα-helixtrans-90.7-39.8-172.472.20000113.6M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.31Å; M115-S119 PolarHBondContact O-N 3.27Å; M115-S119 PolarHBondContact O-OG 2.85Å; M115-S119 VanDerWaalsContact O-OG 3.1Å; G116-S119 PolarHBondContact O-N 3.28Å; G116-S119 VanDerWaalsContact O-N 3.16Å; G116-S119 PolarHBondContact O-OG 3.42Å; S119-N225 PolarHBondContact OG-O 3.35Å
120K74.1Confident75.3Confident90 Ų9069.2 Ų69.239%0.39135%0.352SS..Hα-helixtrans-147.568.4-176.6-62.1-178.8-164.4155.90112.3G116 K122 N123 T124 T226G116-K120 PolarHBondContact O-N 3.11Å; K120-K122 PolarHBondContact O-N 3.32Å; K120-K122 VanDerWaalsContact O-N 3.11Å; K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 3.25Å; K120-T124 PolarHBondContact O-N 3.09Å; K120-T124 PolarHBondContact O-OG1 2.7Å; K120-T226 VanDerWaalsContact CE-O 3.31Å; K120-T226 WeakPolarHBondContact CE-O 3.34Å; K120-T226 PolarHBondContact NZ-O 3.22Å; K120-T226 PolarHBondContact NZ-OXT 3.43Å
121I70.4Confident74.4Confident106 Ų10677.5 Ų77.554%0.54439%0.387SS..Hα-helixtrans-44.7-48.3177.5-59.2170.3000112.3F117 N123 T124 L125F117-I121 WeakPolarHBondContact O-CG1 3.21Å; I121-N123 PolarHBondContact O-N 3.14Å; I121-T124 PolarHBondContact O-OG1 3.2Å; I121-L125 HydrophobicContact CG2-CD1 3.87Å; I121-L125 WeakPolarHBondContact O-CB 3.36Å; I121-L125 WeakPolarHBondContact O-CD1 3.42Å; I121-L125 PolarHBondContact O-N 3.19Å
122K69.7Low73.4Confident188 Ų18880.4 Ų80.482%0.81742%0.417SS*.Hα-helixtrans-67.5-36.8-176.2-62.9-173.1-177.9-177.10113.1K120 A126K120-K122 PolarHBondContact O-N 3.32Å; K120-K122 VanDerWaalsContact O-N 3.11Å; K122-A126 VanDerWaalsContact O-CB 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.03Å; K122-A126 PolarHBondContact O-N 3.09Å
123N71.9Confident73Confident76 Ų7682.1 Ų82.141%0.40643%0.427SS..Hα-helixtrans-76.5-39.9-178.6-161.966.3000111.1K120 I121 L125 A126 H127K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 3.25Å; I121-N123 PolarHBondContact O-N 3.14Å; N123-L125 VanDerWaalsContact C-N 3.33Å; N123-L125 PolarHBondContact O-N 2.77Å; N123-A126 PolarHBondContact O-N 2.95Å; N123-H127 PolarHBondContact O-CD2 3.37Å; N123-H127 VanDerWaalsContact O-CD2 3.31Å; N123-H127 PolarHBondContact O-N 3.31Å
124T68.7Low72.6Confident12 Ų1285 Ų857%0.07445%0.446CS..Hα-helixtrans-64.8-38.2175.553.20000111.9G116 K120 I121 H127G116-T124 VanDerWaalsContact C-CG2 3.49Å; K120-T124 PolarHBondContact O-N 3.09Å; K120-T124 PolarHBondContact O-OG1 2.7Å; I121-T124 PolarHBondContact O-OG1 3.2Å; T124-H127 PolarHBondContact O-N 2.92Å
125L68.7Low72.2Confident92 Ų9286 Ų8648%0.48246%0.457SS..Hα-helixtrans-70.5-34.2173.4-90.181.1000112.5F117 I121 N123 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.69Å; I121-L125 HydrophobicContact CG2-CD1 3.87Å; I121-L125 WeakPolarHBondContact O-CB 3.36Å; I121-L125 WeakPolarHBondContact O-CD1 3.42Å; I121-L125 PolarHBondContact O-N 3.19Å; N123-L125 VanDerWaalsContact C-N 3.33Å; N123-L125 PolarHBondContact O-N 2.77Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.01Å; L125-F128 PolarHBondContact O-N 3.01Å
126A67.3Low72.3Confident57 Ų5788.9 Ų88.947%0.47148%0.479SS..Hα-helixtrans-67-29.7176.700000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.03Å; K122-A126 PolarHBondContact O-N 3.09Å; N123-A126 PolarHBondContact O-N 2.95Å; A126-F128 PolarHBondContact O-N 3.31Å; A126-L129 PolarHBondContact O-N 3.37Å
127H68.8Low72.3Confident115 Ų11593.9 Ų93.953%0.53251%0.505SS..THydrogen-bonded Turntrans-63.8-21174.5-91.6-73.8000114.1N123 T124 L125 L129N123-H127 PolarHBondContact O-CD2 3.37Å; N123-H127 VanDerWaalsContact O-CD2 3.31Å; N123-H127 PolarHBondContact O-N 3.31Å; T124-H127 PolarHBondContact O-N 2.92Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.01Å; H127-L129 PolarHBondContact O-N 2.9Å
128F67.1Low72.3Confident39 Ų3992.5 Ų92.517%0.17150%0.501CS..THydrogen-bonded Turntrans-68.7-12.5172.5-69.2-58.9000113.3L125 A126 E145 T146 L149L125-F128 PolarHBondContact O-N 3.01Å; A126-F128 PolarHBondContact O-N 3.31Å; F128-E145 HydrophobicContact CD1-CB 4.27Å; F128-E145 HydrophobicContact CD1-CG 3.91Å; F128-T146 HydrophobicContact CD1-CG2 4.2Å; F128-T146 HydrophobicContact CE1-CG2 4.08Å; F128-L149 HydrophobicContact CE1-CD1 4.3Å
129L68.7Low72.4Confident60 Ų6086.1 Ų86.131%0.31449%0.488SS..SBendtrans-127.7110.5-178.6-13677.3000111.6A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3.37Å; H127-L129 PolarHBondContact O-N 2.9Å; L129-Q131 PolarHBondContact O-N 3.35Å; L129-I138 HydrophobicContact CD1-CG2 3.83Å; L129-I138 HydrophobicContact CD2-CD1 4.27Å; L129-I138 HydrophobicContact CD2-CG1 4.29Å; L129-I138 HydrophobicContact CD2-CG2 4.04Å; L129-V142 HydrophobicContact CD1-CG2 3.32Å
130P65.4Low72.9Confident66 Ų6689.4 Ų89.443%0.42950%0.499SS..  trans-64.7137.9171.520.3-21000109.7G132 T133 L141P130-G132 PolarHBondContact O-N 3.41Å; P130-T133 HydrophobicContact CB-CG2 4.44Å; P130-T133 HydrophobicContact CG-CG2 3.75Å; P130-T133 WeakPolarHBondContact O-CG2 3.44Å; P130-T133 PolarHBondContact O-OG1 2.93Å; P130-L141 HydrophobicContact CG-CD1 3.77Å; P130-L141 HydrophobicContact CG-CD2 3.9Å; P130-L141 HydrophobicContact CG-CG 4.5Å
131Q66.6Low73.5Confident200 Ų20087.2 Ų87.294%0.93549%0.492SS*.THydrogen-bonded Turntrans-64.3132.4-178.1-63.7-174.5-4.800110.2L129L129-Q131 PolarHBondContact O-N 3.35Å
132G66.2Low74.1Confident83 Ų8384.6 Ų84.686%0.85648%0.48SS*.THydrogen-bonded Turntrans92.715.9177.300000115.8P130P130-G132 PolarHBondContact O-N 3.41Å
133T74Confident74.9Confident38 Ų3880 Ų8023%0.23346%0.464CS..  trans-75.7136.217645.50000112.3P130 L141P130-T133 HydrophobicContact CB-CG2 4.44Å; P130-T133 HydrophobicContact CG-CG2 3.75Å; P130-T133 WeakPolarHBondContact O-CG2 3.44Å; P130-T133 PolarHBondContact O-OG1 2.93Å; T133-L141 HydrophobicContact CG2-CD1 3.85Å
134P76.6Confident75.6Confident75 Ų7580.7 Ų80.749%0.48747%0.467SS..  trans-69.3140.417829.5-34.6000110.7P136 L137P134-P136 VanDerWaalsContact C-N 3.31Å; P134-P136 VanDerWaalsContact O-CD 3.3Å; P134-P136 WeakPolarHBondContact O-CD 3.47Å; P134-L137 HydrophobicContact CG-CB 4.41Å; P134-L137 HydrophobicContact CG-CD1 3.74Å; P134-L137 HydrophobicContact CG-CG 4.21Å; P134-L137 PolarHBondContact O-N 3.01Å
135T77.6Confident76.3Confident119 Ų11983.8 Ų83.873%0.7348%0.48SS*.THydrogen-bonded Turntrans-50.7-30.7-171.753.90000116.9I138T135-I138 HydrophobicContact CG2-CD1 4.49Å
136P83.2Confident77Confident105 Ų10582 Ų8268%0.68247%0.474SS*.THydrogen-bonded Turntrans-74.6-27.6179-1429.6000113.9P134 P139P134-P136 VanDerWaalsContact C-N 3.31Å; P134-P136 VanDerWaalsContact O-CD 3.3Å; P134-P136 WeakPolarHBondContact O-CD 3.47Å; P136-P139 WeakPolarHBondContact O-CD 3.41Å
137L81.2Confident77.9Confident105 Ų10583.3 Ų83.355%0.5547%0.471SS..THydrogen-bonded Turntrans-88.6-11.2-173.6-65.3177.2000113.1P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.41Å; P134-L137 HydrophobicContact CG-CD1 3.74Å; P134-L137 HydrophobicContact CG-CG 4.21Å; P134-L137 PolarHBondContact O-N 3.01Å; L137-M140 PolarHBondContact O-N 3.28Å; L137-L141 PolarHBondContact O-N 2.97Å; L137-L141 VanDerWaalsContact O-N 3.11Å
138I80.4Confident78.7Confident51 Ų5180.3 Ų80.326%0.26246%0.463SS..Hα-helixtrans-53.6-49.8-177.1-67.3178.5000112.3L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 3.83Å; L129-I138 HydrophobicContact CD2-CD1 4.27Å; L129-I138 HydrophobicContact CD2-CG1 4.29Å; L129-I138 HydrophobicContact CD2-CG2 4.04Å; T135-I138 HydrophobicContact CG2-CD1 4.49Å; I138-M140 VanDerWaalsContact C-N 3.35Å; I138-M140 PolarHBondContact O-N 3.02Å; I138-L141 PolarHBondContact O-N 3.41Å; I138-V142 WeakPolarHBondContact O-CG2 3.33Å; I138-V142 PolarHBondContact O-N 3.31Å
139P81.1Confident79.4Confident85 Ų8580.6 Ų80.655%0.55247%0.466SS*.Hα-helixtrans-65.2-37.8-175.2-20.933.8000113P136 I143P136-P139 WeakPolarHBondContact O-CD 3.41Å; P139-I143 WeakPolarHBondContact O-CG1 3.12Å; P139-I143 PolarHBondContact O-N 3.33Å
140M84.1Confident80.1Confident115 Ų11583 Ų8357%0.56748%0.479SS*.Hα-helixtrans-69.3-40.4179.3-17463.5-171.900111.4L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.28Å; I138-M140 VanDerWaalsContact C-N 3.35Å; I138-M140 PolarHBondContact O-N 3.02Å; M140-I143 PolarHBondContact O-N 2.91Å; M140-I144 HydrophobicContact CE-CD1 3.95Å; M140-I144 HydrophobicContact CE-CG1 4.14Å; M140-I144 HydrophobicContact CG-CD1 4.1Å; M140-I144 WeakPolarHBondContact O-CG1 3.28Å; M140-I144 PolarHBondContact O-N 2.67Å; M140-I144 VanDerWaalsContact O-N 3.13Å
141L85.6Confident81.1Confident44 Ų4484.5 Ų84.523%0.2348%0.483CS..Hα-helixtrans-66.9-41.5-178-167.1152.6000111.9P130 T133 L137 I138 I143 I144 E145P130-L141 HydrophobicContact CG-CD1 3.77Å; P130-L141 HydrophobicContact CG-CD2 3.9Å; P130-L141 HydrophobicContact CG-CG 4.5Å; T133-L141 HydrophobicContact CG2-CD1 3.85Å; L137-L141 PolarHBondContact O-N 2.97Å; L137-L141 VanDerWaalsContact O-N 3.11Å; I138-L141 PolarHBondContact O-N 3.41Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 2.97Å; L141-I144 PolarHBondContact O-N 2.89Å; L141-E145 PolarHBondContact O-N 3.47Å
142V82.9Confident81.9Confident51 Ų5178.1 Ų78.131%0.30945%0.453SS..Hα-helixtrans-58.2-42.9175.9175.20000110.9L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.32Å; I138-V142 WeakPolarHBondContact O-CG2 3.33Å; I138-V142 PolarHBondContact O-N 3.31Å; V142-I144 PolarHBondContact O-N 3.07Å; V142-E145 PolarHBondContact O-N 3.44Å; V142-T146 HydrophobicContact CG1-CG2 4.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.43Å; V142-T146 PolarHBondContact O-N 2.93Å; V142-T146 PolarHBondContact O-OG1 3.46Å
143I85.8Confident82.6Confident91 Ų9174.7 Ų74.747%0.46742%0.415SS..Hα-helixtrans-61.2-47.5177.6-65.8167.4000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.12Å; P139-I143 PolarHBondContact O-N 3.33Å; M140-I143 PolarHBondContact O-N 2.91Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 2.97Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.46Å; I143-T146 PolarHBondContact O-N 3.18Å; I143-T146 PolarHBondContact O-OG1 3.23Å; I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.3Å; I143-I147 PolarHBondContact O-N 3.47Å
144I86.8Confident83.1Confident92 Ų9276.6 Ų76.647%0.47242%0.423SS..Hα-helixtrans-61.6-43.7179.7-64.5165.8000111.1M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 3.95Å; M140-I144 HydrophobicContact CE-CG1 4.14Å; M140-I144 HydrophobicContact CG-CD1 4.1Å; M140-I144 WeakPolarHBondContact O-CG1 3.28Å; M140-I144 PolarHBondContact O-N 2.67Å; M140-I144 VanDerWaalsContact O-N 3.13Å; L141-I144 PolarHBondContact O-N 2.89Å; V142-I144 PolarHBondContact O-N 3.07Å; I144-I147 PolarHBondContact O-N 3.47Å; I144-S148 WeakPolarHBondContact O-CB 3.37Å; I144-S148 PolarHBondContact O-N 2.98Å
145E84.9Confident83.5Confident76 Ų7675 Ų7536%0.35542%0.415SS..Hα-helixtrans-66.9-39.3-179.4-164.859.1-149.400111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.27Å; F128-E145 HydrophobicContact CD1-CG 3.91Å; L141-E145 PolarHBondContact O-N 3.47Å; V142-E145 PolarHBondContact O-N 3.44Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.46Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 3.32Å; E145-S148 WeakPolarHBondContact O-CB 3.44Å; E145-S148 PolarHBondContact O-N 3.5Å; E145-L149 WeakPolarHBondContact O-CB 3.29Å; E145-L149 PolarHBondContact O-N 2.81Å
146T82.6Confident83.6Confident56 Ų5669.6 Ų69.634%0.34438%0.382SS..Hα-helixtrans-62.8-38.1174.4620000112.1F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.2Å; F128-T146 HydrophobicContact CE1-CG2 4.08Å; V142-T146 HydrophobicContact CG1-CG2 4.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.43Å; V142-T146 PolarHBondContact O-N 2.93Å; V142-T146 PolarHBondContact O-OG1 3.46Å; I143-T146 PolarHBondContact O-N 3.18Å; I143-T146 PolarHBondContact O-OG1 3.23Å; T146-L150 WeakPolarHBondContact O-CG 3.4Å; T146-L150 PolarHBondContact O-N 3.2Å
147I86.4Confident83.7Confident83 Ų8364.6 Ų64.643%0.42635%0.35SS..Hα-helixtrans-69-43.2175.4-67.5166.9000110.6I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.3Å; I143-I147 PolarHBondContact O-N 3.47Å; I144-I147 PolarHBondContact O-N 3.47Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 3.32Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.45Å; I147-L150 PolarHBondContact O-N 3.21Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 2.88Å
148S84.5Confident84Confident52 Ų5262.5 Ų62.536%0.36434%0.341SS..Hα-helixtrans-56.9-46.4177.5-177.20000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.37Å; I144-S148 PolarHBondContact O-N 2.98Å; E145-S148 WeakPolarHBondContact O-CB 3.44Å; E145-S148 PolarHBondContact O-N 3.5Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.31Å; S148-I151 PolarHBondContact O-N 3.18Å; S148-Q152 PolarHBondContact O-N 3.17Å; S148-Q152 VanDerWaalsContact O-N 3.14Å
149L83.5Confident84.3Confident45 Ų4564.7 Ų64.724%0.23635%0.346CS..Hα-helixtrans-61-35.9177.6-174.9124.1000112.4W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.19Å; W109-L149 HydrophobicContact CZ2-CD2 3.49Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.49Å; W109-L149 HydrophobicContact CZ2-CG 3.96Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.07Å; W109-L149 PolarHBondContact NE1-O 3.18Å; F128-L149 HydrophobicContact CE1-CD1 4.3Å; E145-L149 WeakPolarHBondContact O-CB 3.29Å; E145-L149 PolarHBondContact O-N 2.81Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.45Å; L149-P153 WeakPolarHBondContact O-CD 3.01Å
150L83.3Confident84.3Confident111 Ų11160.7 Ų60.758%0.58132%0.32SS*.Hα-helixtrans-78.2-34.1176.9-71.2174.8000113.7W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.76Å; W109-L150 HydrophobicContact CZ2-CD2 4.27Å; T146-L150 WeakPolarHBondContact O-CG 3.4Å; T146-L150 PolarHBondContact O-N 3.2Å; I147-L150 PolarHBondContact O-N 3.21Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.31Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-P153 WeakPolarHBondContact O-CD 3.28Å; L150-P153 WeakPolarHBondContact O-CG 3.17Å
151I85.8Confident84.4Confident98 Ų9855.8 Ų55.850%0.50330%0.297SS..Hα-helixtrans-72.5-30.6-179.8-70.1173.2000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 2.88Å; S148-I151 PolarHBondContact O-N 3.18Å; I151-M154 WeakPolarHBondContact O-CB 3.35Å; I151-M154 PolarHBondContact O-N 3.04Å; I151-M154 VanDerWaalsContact O-N 3.12Å; I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.22Å; I151-A155 PolarHBondContact O-N 3.42Å
152Q83.6Confident84.4Confident66 Ų6655.7 Ų55.731%0.30830%0.302SS..Hα-helixtrans-50.2-54.1-177.8-107.7176.5-11.100116.3S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.17Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 3.46Å; Q152-A155 PolarHBondContact O-N 3.28Å; Q152-L156 WeakPolarHBondContact O-CB 3.3Å; Q152-L156 PolarHBondContact O-N 2.87Å; Q152-Y221 HydrophobicContact CG-CE1 4.31Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.5Å; Q152-Y221 PolarHBondContact NE2-OH 3.37Å; Q152-Y221 PolarHBondContact OE1-OH 3.16Å
153P80.3Confident84.6Confident10 Ų1056.1 Ų56.17%0.06530%0.303CS..Hα-helixtrans-63.9-34.1178.923.9-34.6000112.1W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.39Å; W109-P153 HydrophobicContact CD2-CB 4.25Å; W109-P153 HydrophobicContact CD2-CG 3.77Å; W109-P153 HydrophobicContact CE3-CG 4.26Å; W109-P153 HydrophobicContact CG-CB 3.82Å; W109-P153 HydrophobicContact CG-CG 3.81Å; L149-P153 WeakPolarHBondContact O-CD 3.01Å; L150-P153 WeakPolarHBondContact O-CD 3.28Å; L150-P153 WeakPolarHBondContact O-CG 3.17Å; P153-A157 PolarHBondContact O-N 3.06Å
154M84.8Confident84.6Confident79 Ų7952.1 Ų52.139%0.38928%0.282SS..Hα-helixtrans-67.3-46175.5-168.766.6-171.400111.1L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.07Å; L102-M154 HydrophobicContact CD1-SD 3.46Å; L102-M154 WeakPolarHBondContact CD1-SD 3.5Å; L102-M154 HydrophobicContact CD2-SD 4.24Å; I151-M154 WeakPolarHBondContact O-CB 3.35Å; I151-M154 PolarHBondContact O-N 3.04Å; I151-M154 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 3.46Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.02Å; M154-A157 PolarHBondContact O-N 3.25Å; M154-V158 HydrophobicContact CE-CG2 4.01Å; M154-V158 HydrophobicContact CG-CG2 4.43Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.31Å; M154-V158 PolarHBondContact O-N 3.39Å
155A85.4Confident84.7Confident40 Ų4049.4 Ų49.433%0.33127%0.27SS..Hα-helixtrans-61.5-37.5178.500000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.22Å; I151-A155 PolarHBondContact O-N 3.42Å; Q152-A155 PolarHBondContact O-N 3.28Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.43Å; A155-R159 PolarHBondContact O-N 3.09Å
156L80.5Confident84.8Confident7 Ų748.4 Ų48.44%0.03728%0.275CS..Hα-helixtrans-62-48.8174.9-166.186.3000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.32Å; Q152-L156 WeakPolarHBondContact O-CB 3.3Å; Q152-L156 PolarHBondContact O-N 2.87Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.02Å; L156-R159 PolarHBondContact O-N 3.31Å; L156-L160 PolarHBondContact O-N 2.84Å; L156-F214 HydrophobicContact CD1-CD2 4.19Å; L156-F214 HydrophobicContact CD1-CG 4.44Å; L156-F214 HydrophobicContact CD2-CD1 4.1Å; L156-F214 HydrophobicContact CD2-CD2 3.38Å; L156-F214 HydrophobicContact CD2-CE1 3.89Å; L156-F214 HydrophobicContact CD2-CE2 3.15Å; L156-F214 HydrophobicContact CD2-CG 3.86Å; L156-F214 HydrophobicContact CD2-CZ 3.44Å; L156-F214 VanDerWaalsContact CD2-CZ 3.44Å; L156-F214 HydrophobicContact CG-CD2 3.46Å; L156-F214 VanDerWaalsContact CG-CD2 3.46Å; L156-F214 HydrophobicContact CG-CE2 3.62Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.39Å; L156-L217 HydrophobicContact CD1-CB 3.88Å; L156-L217 HydrophobicContact CD1-CD1 3.42Å; L156-L217 VanDerWaalsContact CD1-CD1 3.42Å; L156-L217 HydrophobicContact CD1-CG 4.28Å; L156-V218 HydrophobicContact CD2-CG2 4.28Å
157A83.6Confident85.1Confident0 Ų046 Ų460%026%0.261CS..Hα-helixtrans-64.2-45.118000000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.35Å; N101-A157 HydrophobicContact CB-CB 3.94Å; N101-A157 PolarHBondContact ND2-O 3.1Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 4.09Å; A105-A157 HydrophobicContact CB-CB 4.22Å; P153-A157 PolarHBondContact O-N 3.06Å; M154-A157 PolarHBondContact O-N 3.25Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.35Å; A157-L160 PolarHBondContact O-N 2.81Å; A157-T161 PolarHBondContact O-N 3.13Å; A157-T161 VanDerWaalsContact O-N 3.14Å; A157-T161 PolarHBondContact O-OG1 3.31Å
158V87.3Confident85.2Confident61 Ų6143.7 Ų43.737%0.3725%0.249SC..Hα-helixtrans-63.8-38.5177.9172.90000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.93Å; M154-V158 HydrophobicContact CE-CG2 4.01Å; M154-V158 HydrophobicContact CG-CG2 4.43Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.31Å; M154-V158 PolarHBondContact O-N 3.39Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3Å; V158-T161 WeakPolarHBondContact CA-OG1 3.47Å; V158-T161 PolarHBondContact O-N 3.14Å; V158-T161 PolarHBondContact O-OG1 3.12Å; V158-A162 WeakPolarHBondContact O-CB 3.35Å; V158-A162 PolarHBondContact O-N 2.97Å
159R87Confident85.4Confident97 Ų9743.3 Ų43.337%0.36624%0.242SC..Hα-helixtrans-61.2-42.6178-168.4-173-61.8147.82.6111.7A155 L156 A157 N163 Q210 L217A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.43Å; A155-R159 PolarHBondContact O-N 3.09Å; L156-R159 PolarHBondContact O-N 3.31Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.35Å; R159-N163 WeakPolarHBondContact O-CB 3.4Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 3.09Å; R159-N163 PolarHBondContact O-ND2 3.22Å; R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; R159-L217 VanDerWaalsContact NH1-CD1 3.29Å
160L81.5Confident85.7Confident0 Ų044.7 Ų44.70%025%0.249CC..Hα-helixtrans-67.5-44.3179.5178.666.7000110.9I79 N83 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.07Å; I79-L160 HydrophobicContact CG2-CD2 4.15Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.27Å; T95-L160 HydrophobicContact CG2-CD2 4.49Å; N101-L160 HydrophobicContact CB-CD2 4.36Å; N101-L160 VanDerWaalsContact CG-CD2 3.45Å; N101-L160 WeakPolarHBondContact ND2-CB 3.16Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.5Å; N101-L160 VanDerWaalsContact ND2-CG 3.3Å; N101-L160 WeakPolarHBondContact ND2-CG 3.31Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.37Å; L156-L160 PolarHBondContact O-N 2.84Å; A157-L160 PolarHBondContact O-N 2.81Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3Å; L160-I164 HydrophobicContact CD1-CD1 3.68Å; L160-I164 HydrophobicContact CG-CD1 4.25Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 3.33Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.24Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.41Å; L160-Q210 VanDerWaalsContact CD1-CG 3.41Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; L160-F214 HydrophobicContact CD2-CD2 4.47Å
161T85.7Confident86.1Confident13 Ų1340.9 Ų40.98%0.0823%0.229CC..Hα-helixtrans-65.6-45.8177.448.80000112.2T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.25Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å; N101-T161 HydrophobicContact CB-CG2 4.29Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.45Å; N101-T161 PolarHBondContact ND2-N 3.07Å; A157-T161 PolarHBondContact O-N 3.13Å; A157-T161 VanDerWaalsContact O-N 3.14Å; A157-T161 PolarHBondContact O-OG1 3.31Å; V158-T161 WeakPolarHBondContact CA-OG1 3.47Å; V158-T161 PolarHBondContact O-N 3.14Å; V158-T161 PolarHBondContact O-OG1 3.12Å; T161-N163 PolarHBondContact O-N 3.34Å; T161-I164 PolarHBondContact O-N 3.14Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.01Å; T161-T165 WeakPolarHBondContact O-CG2 3.25Å; T161-T165 PolarHBondContact O-N 2.71Å; T161-T165 PolarHBondContact O-OG1 3.48Å
162A85.4Confident86.2Confident41 Ų4140.4 Ų40.434%0.33922%0.224SC..Hα-helixtrans-64-44.3-172.600000111.1V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.35Å; V158-A162 PolarHBondContact O-N 2.97Å; A162-T165 PolarHBondContact O-OG1 2.96Å; A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 3.48Å
163N88.1Confident86.6Confident61 Ų6141.6 Ų41.633%0.32623%0.232SC..Hα-helixtrans-63.6-48.6-179.2-69.6-6.7000111.3R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.4Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 3.09Å; R159-N163 PolarHBondContact O-ND2 3.22Å; T161-N163 PolarHBondContact O-N 3.34Å; N163-G167 PolarHBondContact O-N 3.13Å; N163-V206 HydrophobicContact CB-CG1 4.07Å
164I85.4Confident87.1Confident6 Ų642.6 Ų42.63%0.03124%0.237CC..Hα-helixtrans-70.6-41.2-177.1-59.7173.2000111.3N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-I164 VanDerWaalsContact CG-CD1 3.41Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.25Å; T93-I164 HydrophobicContact CG2-CG2 4.28Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.45Å; T96-I164 HydrophobicContact CG2-CB 4.38Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; L160-I164 HydrophobicContact CD1-CD1 3.68Å; L160-I164 HydrophobicContact CG-CD1 4.25Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 3.33Å; T161-I164 PolarHBondContact O-N 3.14Å; I164-H168 WeakPolarHBondContact O-CB 3.24Å; I164-H168 PolarHBondContact O-CD2 3.03Å; I164-H168 VanDerWaalsContact O-CD2 3.28Å; I164-H168 PolarHBondContact O-N 2.93Å; I164-H168 VanDerWaalsContact O-N 3.07Å
165T88.3Confident87.4Confident36 Ų3640 Ų4022%0.22123%0.23CC..Hα-helixtrans-66.1-46.1177.652.90000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.37Å; F9-T165 HydrophobicContact CE1-CG2 4.08Å; T96-T165 HydrophobicContact CG2-CG2 3.74Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.01Å; T161-T165 WeakPolarHBondContact O-CG2 3.25Å; T161-T165 PolarHBondContact O-N 2.71Å; T161-T165 PolarHBondContact O-OG1 3.48Å; A162-T165 PolarHBondContact O-OG1 2.96Å; T165-H168 PolarHBondContact O-N 3.32Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 WeakPolarHBondContact O-CG 3.4Å; T165-L169 PolarHBondContact O-N 3.41Å
166A87.9Confident87.6Confident55 Ų5540.8 Ų40.846%0.45523%0.233SC..Hα-helixtrans-64.6-42.9178.900000111.5A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 3.48Å; A166-L169 PolarHBondContact O-N 2.98Å; A166-L170 VanDerWaalsContact O-CB 3.23Å; A166-L170 WeakPolarHBondContact O-CB 3.12Å; A166-L170 PolarHBondContact O-N 3.14Å
167G88.4Confident88Confident6 Ų642.3 Ų42.36%0.06225%0.247CC..Hα-helixtrans-60.1-46.7176.700000112.8N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.13Å; G167-L170 PolarHBondContact O-N 2.93Å; G167-M171 WeakPolarHBondContact O-CB 3.3Å; G167-M171 WeakPolarHBondContact O-CG 3.23Å; G167-M171 PolarHBondContact O-N 3.49Å; G167-E203 WeakPolarHBondContact CA-OE2 3.49Å
168H88.3Confident88.3Confident34 Ų3443.1 Ų43.116%0.15725%0.252CS..Hα-helixtrans-63.2-43.3175.3-90-88.4000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.1Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; G86-H168 PolarHBondContact O-CE1 2.95Å; G86-H168 PolarHBondContact O-NE2 3.29Å; G86-H168 VanDerWaalsContact O-NE2 3.12Å; I164-H168 WeakPolarHBondContact O-CB 3.24Å; I164-H168 PolarHBondContact O-CD2 3.03Å; I164-H168 VanDerWaalsContact O-CD2 3.28Å; I164-H168 PolarHBondContact O-N 2.93Å; I164-H168 VanDerWaalsContact O-N 3.07Å; T165-H168 PolarHBondContact O-N 3.32Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3Å; H168-M171 PolarHBondContact O-N 3.28Å; H168-H172 WeakPolarHBondContact O-CB 3.45Å; H168-H172 PolarHBondContact O-N 3.41Å
169L88.8Confident88.4Confident43 Ų4346.2 Ų46.223%0.22527%0.266CS..Hα-helixtrans-61.6-42.6175.4-78.4170.4000111.3F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.38Å; F6-L169 HydrophobicContact CE1-CD1 4.11Å; F6-L169 HydrophobicContact CE1-CD2 4.03Å; F6-L169 HydrophobicContact CZ-CD2 4.44Å; F9-L169 HydrophobicContact CE2-CD1 4.44Å; F9-L169 HydrophobicContact CE2-CD2 3.65Å; F9-L169 HydrophobicContact CE2-CG 3.73Å; F9-L169 HydrophobicContact CZ-CD2 4.31Å; F9-L169 HydrophobicContact CZ-CG 3.91Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 WeakPolarHBondContact O-CG 3.4Å; T165-L169 PolarHBondContact O-N 3.41Å; A166-L169 PolarHBondContact O-N 2.98Å; L169-H172 PolarHBondContact O-N 2.87Å; L169-L173 WeakPolarHBondContact O-CB 3.23Å; L169-L173 WeakPolarHBondContact O-CG 3.49Å; L169-L173 PolarHBondContact O-N 3.09Å
170L90.5Very high88.5Confident75 Ų7543.9 Ų43.939%0.39327%0.267SS..Hα-helixtrans-69.3-41.2-178.6-160.8155.5000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.23Å; A166-L170 WeakPolarHBondContact O-CB 3.12Å; A166-L170 PolarHBondContact O-N 3.14Å; G167-L170 PolarHBondContact O-N 2.93Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.49Å; L170-L173 PolarHBondContact O-N 3.36Å; L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 4.06Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3Å; L170-L199 HydrophobicContact CB-CD2 4.48Å; L170-L199 HydrophobicContact CD2-CD1 3.38Å; L170-L199 HydrophobicContact CD2-CD2 3.25Å; L170-L199 HydrophobicContact CD2-CG 3.9Å; L170-L199 HydrophobicContact CG-CD2 4.46Å
171M90.8Very high88.8Confident31 Ų3146.8 Ų46.815%0.15328%0.281CS..Hα-helixtrans-56.5-44.7170.2-80.1-172.7-67.600111.7L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.97Å; G167-M171 WeakPolarHBondContact O-CB 3.3Å; G167-M171 WeakPolarHBondContact O-CG 3.23Å; G167-M171 PolarHBondContact O-N 3.49Å; H168-M171 PolarHBondContact O-N 3.28Å; M171-G175 PolarHBondContact O-N 3.06Å; M171-L199 HydrophobicContact CB-CD2 4.27Å; M171-L199 HydrophobicContact CG-CD2 3.47Å; M171-L199 VanDerWaalsContact CG-CD2 3.47Å; M171-L199 HydrophobicContact CG-CG 4.5Å; M171-T200 HydrophobicContact SD-CG2 3.97Å; M171-E203 HydrophobicContact CE-CG 4.12Å
172H89.5Confident89Confident88 Ų8849.2 Ų49.241%0.40730%0.299SS..Hα-helixtrans-68.1-41.4179.6-169.3-60.5000112.3L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.5Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.09Å; H168-H172 WeakPolarHBondContact O-CB 3.45Å; H168-H172 PolarHBondContact O-N 3.41Å; L169-H172 PolarHBondContact O-N 2.87Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.49Å; H172-G175 PolarHBondContact O-N 2.99Å; H172-S176 WeakPolarHBondContact O-CB 3.24Å; H172-S176 PolarHBondContact O-N 2.88Å; H172-S176 PolarHBondContact O-OG 3.46Å
173L90.6Very high89.1Confident90 Ų9053 Ų5347%0.47132%0.317SS..Hα-helixtrans-63.7-48.2178.2-74.5171.6000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.07Å; L5-L173 HydrophobicContact CD2-CD2 4.36Å; L169-L173 WeakPolarHBondContact O-CB 3.23Å; L169-L173 WeakPolarHBondContact O-CG 3.49Å; L169-L173 PolarHBondContact O-N 3.09Å; L170-L173 PolarHBondContact O-N 3.36Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.47Å; L173-S176 PolarHBondContact O-N 3.28Å; L173-S176 PolarHBondContact O-OG 3.36Å; L173-A177 PolarHBondContact O-N 2.88Å
174I91.7Very high89.1Confident32 Ų3255 Ų5516%0.16433%0.328CS..Hα-helixtrans-63.9-40.7176.5-64.7-175.7000110.5L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 4.06Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.32Å; I174-A177 WeakPolarHBondContact O-CB 3.5Å; I174-A177 PolarHBondContact O-N 2.84Å; I174-A177 VanDerWaalsContact O-N 3.15Å; I174-T178 HydrophobicContact CG2-CG2 4.38Å; I174-T178 WeakPolarHBondContact O-CG2 3.23Å; I174-T178 PolarHBondContact O-N 3.46Å; I174-T178 PolarHBondContact O-OG1 2.86Å; I174-I192 HydrophobicContact CG2-CG2 3.8Å; I174-I195 HydrophobicContact CD1-CG2 4.09Å; I174-L196 HydrophobicContact CB-CD1 4.17Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 3.95Å; I174-L196 HydrophobicContact CG2-CG 4.5Å; I174-L199 HydrophobicContact CD1-CD2 4.36Å
175G90.2Very high89.3Confident24 Ų2459.2 Ų59.225%0.24735%0.35CS..Hα-helixtrans-61.4-3717500000113.7M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.06Å; H172-G175 PolarHBondContact O-N 2.99Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.47Å; G175-T178 WeakPolarHBondContact CA-OG1 3.38Å; G175-T178 PolarHBondContact O-OG1 3.3Å; G175-L179 WeakPolarHBondContact O-CB 3.44Å; G175-L179 PolarHBondContact O-N 2.83Å
176S89.2Confident89.2Confident57 Ų5764.4 Ų64.440%0.39938%0.376SS..Hα-helixtrans-70.5-35.4173.871.80000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.24Å; H172-S176 PolarHBondContact O-N 2.88Å; H172-S176 PolarHBondContact O-OG 3.46Å; L173-S176 PolarHBondContact O-N 3.28Å; L173-S176 PolarHBondContact O-OG 3.36Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.32Å; S176-L179 PolarHBondContact O-N 3.39Å; S176-A180 WeakPolarHBondContact O-CB 3.33Å; S176-A180 PolarHBondContact O-N 2.87Å
177A88.9Confident89.3Confident38 Ų3866.2 Ų66.231%0.31438%0.383SS..Hα-helixtrans-69.3-41176.100000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.88Å; I174-A177 WeakPolarHBondContact O-CB 3.5Å; I174-A177 PolarHBondContact O-N 2.84Å; I174-A177 VanDerWaalsContact O-N 3.15Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.97Å; A177-A180 PolarHBondContact O-N 3.36Å; A177-M181 WeakPolarHBondContact O-CB 3.48Å; A177-M181 WeakPolarHBondContact O-CG 3.42Å; A177-M181 PolarHBondContact O-N 2.96Å
178T90.8Very high89.3Confident18 Ų1867.7 Ų67.711%0.1139%0.392CS..Hα-helixtrans-60.8-42.3174.155.90000110.8I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.38Å; I174-T178 WeakPolarHBondContact O-CG2 3.23Å; I174-T178 PolarHBondContact O-N 3.46Å; I174-T178 PolarHBondContact O-OG1 2.86Å; G175-T178 WeakPolarHBondContact CA-OG1 3.38Å; G175-T178 PolarHBondContact O-OG1 3.3Å; T178-M181 PolarHBondContact O-N 3.41Å; T178-S182 WeakPolarHBondContact O-CB 3.31Å; T178-S182 PolarHBondContact O-N 3.37Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å
179L90Very high89.4Confident126 Ų12667.3 Ų67.366%0.6639%0.392SS*.Hα-helixtrans-66.3-41.7179.1-165.5137.7000111.7G175 S176 A177 S182G175-L179 WeakPolarHBondContact O-CB 3.44Å; G175-L179 PolarHBondContact O-N 2.83Å; S176-L179 PolarHBondContact O-N 3.39Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.97Å; L179-S182 PolarHBondContact O-N 3.35Å; L179-S182 PolarHBondContact O-OG 3.32Å
180A89.1Confident89.6Confident47 Ų4771 Ų7139%0.38841%0.412SS..Hα-helixtrans-64.5-45.5174.800000112.2S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.33Å; S176-A180 PolarHBondContact O-N 2.87Å; A177-A180 PolarHBondContact O-N 3.36Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 3.33Å; A180-T183 PolarHBondContact O-N 2.59Å; A180-T183 PolarHBondContact O-OG1 3.01Å
181M88.3Confident89.7Confident62 Ų6272.5 Ų72.531%0.30542%0.419SS..Hα-helixtrans-69.2-24.6-179.5-68-62.8111.400113.2A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.48Å; A177-M181 WeakPolarHBondContact O-CG 3.42Å; A177-M181 PolarHBondContact O-N 2.96Å; T178-M181 PolarHBondContact O-N 3.41Å; M181-T183 PolarHBondContact O-N 2.78Å; M181-T183 VanDerWaalsContact O-N 3.16Å; M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 3.42Å; M181-I184 HydrophobicContact SD-CD1 4.19Å; M181-N185 PolarHBondContact O-N 3.24Å; M181-T189 PolarHBondContact O-OG1 3.22Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.65Å
182S88.2Confident89.8Confident64 Ų6473 Ų7345%0.44842%0.421SS..Hα-helixtrans-57.6-29.6176.777.30000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.31Å; T178-S182 PolarHBondContact O-N 3.37Å; L179-S182 PolarHBondContact O-N 3.35Å; L179-S182 PolarHBondContact O-OG 3.32Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 3.33Å; S182-T189 VanDerWaalsContact CA-OG1 3.3Å; S182-T189 WeakPolarHBondContact CA-OG1 3.27Å; S182-T189 PolarHBondContact N-OG1 2.95Å
183T87.9Confident90Very high119 Ų11973.9 Ų73.973%0.7342%0.424SS*.THydrogen-bonded Turntrans-81.8-18.4178.666.70000113.7A180 M181A180-T183 PolarHBondContact O-N 2.59Å; A180-T183 PolarHBondContact O-OG1 3.01Å; M181-T183 PolarHBondContact O-N 2.78Å; M181-T183 VanDerWaalsContact O-N 3.16Å
184I88.4Confident90.1Very high105 Ų10573.1 Ų73.154%0.53842%0.423SS..THydrogen-bonded Turntrans-100-61.1-173.2-55.3175.7000110.3M181M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 3.42Å; M181-I184 HydrophobicContact SD-CD1 4.19Å
185N88.9Confident90.2Very high94 Ų9475.5 Ų75.550%0.50344%0.436SS..  trans-146.8117.5-171.5-83.3-25.1000112M181 S188 T189M181-N185 PolarHBondContact O-N 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 3.38Å; N185-S188 PolarHBondContact O-N 2.95Å; N185-S188 PolarHBondContact O-OG 3.02Å; N185-T189 PolarHBondContact O-N 3.22Å; N185-T189 PolarHBondContact O-OG1 3.38Å
186L87.8Confident90.4Very high145 Ų14575.9 Ų75.976%0.75943%0.432SS*.Hα-helixtrans-56.6-46.5177.3-159.188.2000114.6S188 T189 L190L186-S188 PolarHBondContact O-N 2.86Å; L186-T189 WeakPolarHBondContact O-CB 3.44Å; L186-T189 PolarHBondContact O-N 3.42Å; L186-L190 PolarHBondContact O-N 2.95Å; L186-L190 VanDerWaalsContact O-N 3.16Å
187P89.1Confident90.6Very high93 Ų9376.8 Ų76.860%0.60443%0.432SS*.Hα-helixtrans-67.8-37-176.125.2-33.4000112.4T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 3.22Å; P187-L190 PolarHBondContact O-N 2.96Å; P187-I191 PolarHBondContact O-N 3.42Å
188S87.8Confident90.9Very high37 Ų3780.8 Ų80.826%0.25945%0.447SS..Hα-helixtrans-66.1-35.1175.366.40000112.4N185 L186 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.38Å; N185-S188 PolarHBondContact O-N 2.95Å; N185-S188 PolarHBondContact O-OG 3.02Å; L186-S188 PolarHBondContact O-N 2.86Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.5Å; S188-I191 PolarHBondContact O-N 3.37Å; S188-I192 WeakPolarHBondContact O-CG1 3.12Å; S188-I192 PolarHBondContact O-N 3.33Å; S188-I192 VanDerWaalsContact O-N 3.13Å
189T92.1Very high91Very high25 Ų2581.2 Ų81.215%0.15345%0.449CS..Hα-helixtrans-63.7-41.2176.4-580000111.2M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 3.22Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; S182-T189 VanDerWaalsContact CA-OG1 3.3Å; S182-T189 WeakPolarHBondContact CA-OG1 3.27Å; S182-T189 PolarHBondContact N-OG1 2.95Å; N185-T189 PolarHBondContact O-N 3.22Å; N185-T189 PolarHBondContact O-OG1 3.38Å; L186-T189 WeakPolarHBondContact O-CB 3.44Å; L186-T189 PolarHBondContact O-N 3.42Å; P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 3.22Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.91Å; T189-I192 PolarHBondContact O-N 3.38Å; T189-F193 VanDerWaalsContact O-CB 3.26Å; T189-F193 WeakPolarHBondContact O-CB 3.37Å; T189-F193 PolarHBondContact O-N 3.15Å
190L91.6Very high91.1Very high122 Ų12277.7 Ų77.764%0.63943%0.432SS*.Hα-helixtrans-60-42.2177.7-158.791.8000111.4L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.95Å; L186-L190 VanDerWaalsContact O-N 3.16Å; P187-L190 PolarHBondContact O-N 2.96Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.5Å; L190-F193 PolarHBondContact O-N 2.97Å; L190-T194 WeakPolarHBondContact O-CG2 3.48Å; L190-T194 PolarHBondContact O-N 3.47Å; L190-T194 PolarHBondContact O-OG1 2.87Å
191I92.9Very high91.2Very high105 Ų10580.4 Ų80.454%0.53844%0.439SS..Hα-helixtrans-65.1-44.6178.8-62.5166.3000111.1P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.42Å; S188-I191 PolarHBondContact O-N 3.37Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.91Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.75Å; I191-T194 PolarHBondContact O-N 2.88Å; I191-T194 PolarHBondContact O-OG1 3.24Å; I191-I195 HydrophobicContact CG2-CD1 4.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.45Å; I191-I195 PolarHBondContact O-N 2.97Å; I191-I195 VanDerWaalsContact O-N 3.16Å
192I93.3Very high91.4Very high41 Ų4182.3 Ų82.321%0.2145%0.45CS..Hα-helixtrans-70.2-33.4179.7-57167.1000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.8Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.65Å; S188-I192 WeakPolarHBondContact O-CG1 3.12Å; S188-I192 PolarHBondContact O-N 3.33Å; S188-I192 VanDerWaalsContact O-N 3.13Å; T189-I192 PolarHBondContact O-N 3.38Å; I192-I195 WeakPolarHBondContact O-CB 3.48Å; I192-I195 PolarHBondContact O-N 3.39Å; I192-L196 PolarHBondContact O-N 3.47Å
193F92.9Very high91.5Very high107 Ų10779.9 Ų79.947%0.46943%0.431SS..Hα-helixtrans-66.4-39175.3-173.2-105.6000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.26Å; T189-F193 WeakPolarHBondContact O-CB 3.37Å; T189-F193 PolarHBondContact O-N 3.15Å; L190-F193 PolarHBondContact O-N 2.97Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.75Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.97Å; F193-L196 HydrophobicContact CD2-CD2 4.41Å; F193-L196 WeakPolarHBondContact O-CB 3.01Å; F193-L196 PolarHBondContact O-N 3.42Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.52Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.15Å; F193-I197 HydrophobicContact CZ-CG1 4.49Å; F193-I197 PolarHBondContact O-N 3.31Å
194T93.7Very high91.7Very high74 Ų7478.3 Ų78.345%0.45442%0.418SS..Hα-helixtrans-65-37.3173.356.80000111.8L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.48Å; L190-T194 PolarHBondContact O-N 3.47Å; L190-T194 PolarHBondContact O-OG1 2.87Å; I191-T194 PolarHBondContact O-N 2.88Å; I191-T194 PolarHBondContact O-OG1 3.24Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-I197 PolarHBondContact O-N 2.87Å; T194-L198 PolarHBondContact O-N 3.16Å
195I94.3Very high91.8Very high83 Ų8375.5 Ų75.543%0.42641%0.41SS..Hα-helixtrans-61.9-42.8172.7-65.7166.3000110.8I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.09Å; I191-I195 HydrophobicContact CG2-CD1 4.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.45Å; I191-I195 PolarHBondContact O-N 2.97Å; I191-I195 VanDerWaalsContact O-N 3.16Å; I192-I195 WeakPolarHBondContact O-CB 3.48Å; I192-I195 PolarHBondContact O-N 3.39Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.97Å; I195-I197 PolarHBondContact O-N 3.43Å; I195-L198 PolarHBondContact O-N 3.45Å; I195-L199 WeakPolarHBondContact O-CB 3.23Å; I195-L199 PolarHBondContact O-N 3.34Å
196L93.5Very high92Very high31 Ų3172.9 Ų72.916%0.16240%0.397CS..Hα-helixtrans-59-45.9176.3-177.367.3000111.4I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.17Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 3.95Å; I174-L196 HydrophobicContact CG2-CG 4.5Å; I192-L196 PolarHBondContact O-N 3.47Å; F193-L196 HydrophobicContact CD2-CD2 4.41Å; F193-L196 WeakPolarHBondContact O-CB 3.01Å; F193-L196 PolarHBondContact O-N 3.42Å; T194-L196 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.36Å; L196-L199 WeakPolarHBondContact O-CB 3.36Å; L196-L199 PolarHBondContact O-N 2.88Å; L196-T200 WeakPolarHBondContact O-CG2 3.24Å; L196-T200 PolarHBondContact O-N 3.17Å
197I93.1Very high92Very high77 Ų7766.2 Ų66.240%0.39536%0.363SS..Hα-helixtrans-59.9-47.9176.7-67.8165.3000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.52Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.15Å; F193-I197 HydrophobicContact CZ-CG1 4.49Å; F193-I197 PolarHBondContact O-N 3.31Å; T194-I197 PolarHBondContact O-N 2.87Å; I195-I197 PolarHBondContact O-N 3.43Å; I197-L199 VanDerWaalsContact C-N 3.25Å; I197-L199 PolarHBondContact O-N 3.12Å; I197-T200 PolarHBondContact O-N 3.35Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-T200 PolarHBondContact O-OG1 3.03Å; I197-I201 HydrophobicContact CG2-CD1 4.16Å; I197-I201 WeakPolarHBondContact O-CG1 3.41Å; I197-I201 PolarHBondContact O-N 2.94Å; I197-I201 VanDerWaalsContact O-N 3.14Å
198L94.6Very high92Very high121 Ų12167 Ų6763%0.63436%0.362SS*.Hα-helixtrans-59.3-40.3179.3-176.663.8000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.16Å; I195-L198 PolarHBondContact O-N 3.45Å; L196-L198 PolarHBondContact O-N 3.36Å; L198-I201 PolarHBondContact O-N 3.13Å; L198-L202 PolarHBondContact O-N 3.23Å
199L93.4Very high92.2Very high28 Ų2869.8 Ų69.815%0.14737%0.373CS..Hα-helixtrans-63.6-42.4176.3-16987.3000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.48Å; L170-L199 HydrophobicContact CD2-CD1 3.38Å; L170-L199 HydrophobicContact CD2-CD2 3.25Å; L170-L199 HydrophobicContact CD2-CG 3.9Å; L170-L199 HydrophobicContact CG-CD2 4.46Å; M171-L199 HydrophobicContact CB-CD2 4.27Å; M171-L199 HydrophobicContact CG-CD2 3.47Å; M171-L199 VanDerWaalsContact CG-CD2 3.47Å; M171-L199 HydrophobicContact CG-CG 4.5Å; I174-L199 HydrophobicContact CD1-CD2 4.36Å; I195-L199 WeakPolarHBondContact O-CB 3.23Å; I195-L199 PolarHBondContact O-N 3.34Å; L196-L199 WeakPolarHBondContact O-CB 3.36Å; L196-L199 PolarHBondContact O-N 2.88Å; I197-L199 VanDerWaalsContact C-N 3.25Å; I197-L199 PolarHBondContact O-N 3.12Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.43Å; L199-L202 WeakPolarHBondContact O-CB 3.45Å; L199-L202 PolarHBondContact O-N 3.05Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L199-E203 PolarHBondContact O-N 3.48Å
200T91.5Very high92Very high51 Ų5169.1 Ų69.131%0.31337%0.368SS..Hα-helixtrans-61.4-38.3177.261.10000112M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.97Å; L196-T200 WeakPolarHBondContact O-CG2 3.24Å; L196-T200 PolarHBondContact O-N 3.17Å; I197-T200 PolarHBondContact O-N 3.35Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-T200 PolarHBondContact O-OG1 3.03Å; T200-E203 PolarHBondContact O-N 3.06Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.28Å; T200-I204 PolarHBondContact O-N 3.49Å
201I92.8Very high92Very high104 Ų10463.3 Ų63.353%0.53334%0.337SS..Hα-helixtrans-64.8-43.3175.7-64.1167.5000110.5I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.16Å; I197-I201 WeakPolarHBondContact O-CG1 3.41Å; I197-I201 PolarHBondContact O-N 2.94Å; I197-I201 VanDerWaalsContact O-N 3.14Å; L198-I201 PolarHBondContact O-N 3.13Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.43Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.91Å; I201-I204 PolarHBondContact O-N 2.97Å; I201-A205 PolarHBondContact O-N 3.46Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L92Very high91.8Very high102 Ų10263.1 Ų63.153%0.53433%0.331SS..Hα-helixtrans-59.3-45.9175.6179.867.7000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.23Å; L199-L202 WeakPolarHBondContact O-CB 3.45Å; L199-L202 PolarHBondContact O-N 3.05Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L202-I204 PolarHBondContact O-N 2.65Å; L202-A205 WeakPolarHBondContact O-CB 3.33Å; L202-A205 PolarHBondContact O-N 3.45Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.37Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 3.19Å
203E90.8Very high91.7Very high13 Ų1363.1 Ų63.16%0.06133%0.333CS..Hα-helixtrans-66.3-37.5-177.1-160.566.2-161.100112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.44Å; L87-E203 HydrophobicContact CD2-CB 4.16Å; L87-E203 HydrophobicContact CD2-CG 3.39Å; G167-E203 WeakPolarHBondContact CA-OE2 3.49Å; M171-E203 HydrophobicContact CE-CG 4.12Å; L199-E203 PolarHBondContact O-N 3.48Å; T200-E203 PolarHBondContact O-N 3.06Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.91Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.44Å; E203-V206 PolarHBondContact O-N 2.82Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.48Å; E203-A207 PolarHBondContact O-N 2.77Å
204I91Very high91.4Very high87 Ų8758 Ų5845%0.44631%0.31SS..Hα-helixtrans-59.5-43.2172-67.3164.6000110.6L87 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 3.28Å; T200-I204 PolarHBondContact O-N 3.49Å; I201-I204 PolarHBondContact O-N 2.97Å; L202-I204 PolarHBondContact O-N 2.65Å; I204-L208 PolarHBondContact O-N 2.89Å
205A91.8Very high91.2Very high45 Ų4554.5 Ų54.537%0.37229%0.289SS..Hα-helixtrans-65.5-45.5177.100000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.46Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.33Å; L202-A205 PolarHBondContact O-N 3.45Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.44Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.42Å; A205-L208 PolarHBondContact O-N 3.37Å; A205-I209 WeakPolarHBondContact O-CB 3.44Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 2.93Å
206V91.6Very high90.9Very high39 Ų3953.4 Ų53.424%0.23628%0.283CS..Hα-helixtrans-61.4-42.2178.21730000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.07Å; L202-V206 HydrophobicContact CD1-CG2 4.37Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 3.19Å; E203-V206 PolarHBondContact O-N 2.82Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.36Å; V206-I209 PolarHBondContact O-N 2.83Å; V206-Q210 WeakPolarHBondContact O-CB 3.44Å; V206-Q210 PolarHBondContact O-N 2.93Å
207A89.1Confident90.6Very high5 Ų553.7 Ų53.74%0.04129%0.285CS..Hα-helixtrans-57.5-42178.100000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.93Å; N83-A207 PolarHBondContact ND2-O 3.04Å; L87-A207 HydrophobicContact CD1-CB 4.06Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.48Å; E203-A207 PolarHBondContact O-N 2.77Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.42Å; A207-A211 PolarHBondContact O-N 3.46Å
208L89.1Confident90.2Very high110 Ų11050.3 Ų50.358%0.57627%0.268SS*.Hα-helixtrans-75.6-44.8179-169.5150.1000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.89Å; A205-L208 PolarHBondContact O-N 3.37Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.36Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.48Å; L208-A211 PolarHBondContact O-N 3.26Å; L208-Y212 PolarHBondContact O-N 3.48Å; L208-Y212 VanDerWaalsContact O-N 3.17Å
209I90.9Very high89.8Confident96 Ų9645.1 Ų45.149%0.49224%0.242SC..Hα-helixtrans-60.6-40.3178-69.2167.1000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.44Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 2.93Å; V206-I209 PolarHBondContact O-N 2.83Å; I209-A211 PolarHBondContact O-N 2.99Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 3.24Å; I209-V213 HydrophobicContact CG2-CG2 4.01Å; I209-V213 WeakPolarHBondContact O-CG2 3.45Å; I209-V213 PolarHBondContact O-N 3.3Å
210Q89.1Confident89.4Confident10 Ų1047.4 Ų47.45%0.04725%0.254CS..Hα-helixtrans-67-38-177.9-173.463.78.100112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.24Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.41Å; L160-Q210 VanDerWaalsContact CD1-CG 3.41Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; V206-Q210 WeakPolarHBondContact O-CB 3.44Å; V206-Q210 PolarHBondContact O-N 2.93Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.48Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.05Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.34Å; Q210-F214 PolarHBondContact O-N 3.34Å
211A89.9Confident88.9Confident0 Ų045.9 Ų45.90%024%0.242CC..Hα-helixtrans-61-43.617200000111.2I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.45Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 3.46Å; L208-A211 PolarHBondContact O-N 3.26Å; I209-A211 PolarHBondContact O-N 2.99Å; A211-T215 VanDerWaalsContact O-CG2 3.28Å; A211-T215 WeakPolarHBondContact O-CG2 3.42Å; A211-T215 PolarHBondContact O-N 3.14Å; A211-T215 PolarHBondContact O-OG1 3.27Å
212Y89.8Confident88.4Confident102 Ų10241.1 Ų41.140%0.422%0.218SC..Hα-helixtrans-63.1-52.3176.7176.4-101.7000112.5M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.42Å; I76-Y212 HydrophobicContact CD1-CD2 4.18Å; L208-Y212 PolarHBondContact O-N 3.48Å; L208-Y212 VanDerWaalsContact O-N 3.17Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 3.24Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.05Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 3.33Å; Y212-T215 PolarHBondContact O-N 3.01Å; Y212-T215 PolarHBondContact O-OG1 3.32Å; Y212-L216 HydrophobicContact CE1-CD1 3.69Å; Y212-L216 HydrophobicContact CE2-CD1 4.44Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.14Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å
213V90Very high87.9Confident41 Ų4140.4 Ų40.425%0.24821%0.212CC..Hα-helixtrans-60.4-38.7-180172.30000111.4I209 L217I209-V213 HydrophobicContact CG2-CG2 4.01Å; I209-V213 WeakPolarHBondContact O-CG2 3.45Å; I209-V213 PolarHBondContact O-N 3.3Å; V213-L217 HydrophobicContact CG1-CD1 3.9Å; V213-L217 WeakPolarHBondContact O-CG 3.3Å; V213-L217 PolarHBondContact O-N 2.91Å; V213-L217 VanDerWaalsContact O-N 3.07Å
214F87.7Confident87.3Confident0 Ų043.2 Ų43.20%023%0.227CC..Hα-helixtrans-57.2-53.4176.1-173.9-75.3000111L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.27Å; L75-F214 HydrophobicContact CD2-CD1 3.45Å; L75-F214 VanDerWaalsContact CD2-CD1 3.45Å; L75-F214 HydrophobicContact CD2-CE1 3.53Å; L75-F214 HydrophobicContact CG-CE1 4.47Å; I79-F214 HydrophobicContact CD1-CB 4.27Å; I79-F214 HydrophobicContact CD1-CD1 3.51Å; I79-F214 HydrophobicContact CD1-CD2 4.2Å; I79-F214 HydrophobicContact CD1-CE1 3.83Å; I79-F214 HydrophobicContact CD1-CE2 4.44Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.28Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.19Å; L108-F214 HydrophobicContact CD1-CE1 4.04Å; L108-F214 HydrophobicContact CD1-CZ 4.4Å; L156-F214 HydrophobicContact CD1-CD2 4.19Å; L156-F214 HydrophobicContact CD1-CG 4.44Å; L156-F214 HydrophobicContact CD2-CD1 4.1Å; L156-F214 HydrophobicContact CD2-CD2 3.38Å; L156-F214 HydrophobicContact CD2-CE1 3.89Å; L156-F214 HydrophobicContact CD2-CE2 3.15Å; L156-F214 HydrophobicContact CD2-CG 3.86Å; L156-F214 HydrophobicContact CD2-CZ 3.44Å; L156-F214 VanDerWaalsContact CD2-CZ 3.44Å; L156-F214 HydrophobicContact CG-CD2 3.46Å; L156-F214 VanDerWaalsContact CG-CD2 3.46Å; L156-F214 HydrophobicContact CG-CE2 3.62Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.39Å; L160-F214 HydrophobicContact CD2-CD2 4.47Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.34Å; Q210-F214 PolarHBondContact O-N 3.34Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 3.33Å; F214-L217 PolarHBondContact O-N 2.67Å; F214-V218 HydrophobicContact CD1-CG2 4.26Å; F214-V218 HydrophobicContact CE1-CG2 4.01Å; F214-V218 WeakPolarHBondContact O-CG2 3.5Å; F214-V218 PolarHBondContact O-N 3.16Å
215T89Confident86.5Confident0 Ų040.3 Ų40.30%021%0.212CC..Hα-helixtrans-69.6-36.1-176.5580000112.9M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.36Å; L75-T215 HydrophobicContact CD2-CG2 3.3Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.47Å; I76-T215 VanDerWaalsContact CB-CG2 3.47Å; I76-T215 HydrophobicContact CG1-CG2 4.05Å; A211-T215 VanDerWaalsContact O-CG2 3.28Å; A211-T215 WeakPolarHBondContact O-CG2 3.42Å; A211-T215 PolarHBondContact O-N 3.14Å; A211-T215 PolarHBondContact O-OG1 3.27Å; Y212-T215 PolarHBondContact O-N 3.01Å; Y212-T215 PolarHBondContact O-OG1 3.32Å; T215-V218 PolarHBondContact O-N 3.16Å; T215-S219 WeakPolarHBondContact O-CB 3.21Å; T215-S219 PolarHBondContact O-N 2.98Å
216L88.1Confident85.5Confident60 Ų6039.7 Ų39.731%0.31420%0.204SC..Hα-helixtrans-63.7-43.4177.1-176.6150.6000111.1Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.69Å; Y212-L216 HydrophobicContact CE2-CD1 4.44Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.14Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å; L216-S219 CarbonylContact O-C 3.6Å; L216-S219 WeakPolarHBondContact O-CB 3.36Å; L216-S219 PolarHBondContact O-N 3.09Å; L216-S219 PolarHBondContact O-OG 3.21Å; L216-L220 WeakPolarHBondContact O-CB 3.47Å; L216-L220 PolarHBondContact O-N 3.18Å
217L86.3Confident85.2Confident36 Ų3639.7 Ų39.719%0.18820%0.202CC..Hα-helixtrans-63.9-43.7176.7-76.8165.5000111.7L156 R159 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.88Å; L156-L217 HydrophobicContact CD1-CD1 3.42Å; L156-L217 VanDerWaalsContact CD1-CD1 3.42Å; L156-L217 HydrophobicContact CD1-CG 4.28Å; R159-L217 VanDerWaalsContact NH1-CD1 3.29Å; V213-L217 HydrophobicContact CG1-CD1 3.9Å; V213-L217 WeakPolarHBondContact O-CG 3.3Å; V213-L217 PolarHBondContact O-N 2.91Å; V213-L217 VanDerWaalsContact O-N 3.07Å; F214-L217 PolarHBondContact O-N 2.67Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 2.93Å; L217-L220 PolarHBondContact O-N 2.83Å; L217-Y221 HydrophobicContact CB-CE2 4.13Å; L217-Y221 WeakPolarHBondContact O-CD2 3.42Å; L217-Y221 WeakPolarHBondContact O-CE2 3.43Å; L217-Y221 PolarHBondContact O-N 3.47Å
218V85.8Confident85Confident7 Ų741.5 Ų41.54%0.04221%0.211CC..Hα-helixtrans-58.9-40.9173.2176.70000111.2L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.27Å; L72-V218 HydrophobicContact CD2-CG1 3.86Å; L108-V218 HydrophobicContact CB-CG1 4.37Å; L156-V218 HydrophobicContact CD2-CG2 4.28Å; F214-V218 HydrophobicContact CD1-CG2 4.26Å; F214-V218 HydrophobicContact CE1-CG2 4.01Å; F214-V218 WeakPolarHBondContact O-CG2 3.5Å; F214-V218 PolarHBondContact O-N 3.16Å; T215-V218 PolarHBondContact O-N 3.16Å; V218-Y221 PolarHBondContact O-N 3.35Å; V218-L222 PolarHBondContact O-N 3.05Å
219S86.6Confident84.7Confident12 Ų1237.7 Ų37.78%0.08419%0.19CC..Hα-helixtrans-66.6-38.3177.586.70000112.2H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.19Å; T215-S219 WeakPolarHBondContact O-CB 3.21Å; T215-S219 PolarHBondContact O-N 2.98Å; L216-S219 CarbonylContact O-C 3.6Å; L216-S219 WeakPolarHBondContact O-CB 3.36Å; L216-S219 PolarHBondContact O-N 3.09Å; L216-S219 PolarHBondContact O-OG 3.21Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 2.93Å; S219-L222 WeakPolarHBondContact O-CB 3.4Å; S219-L222 PolarHBondContact O-N 3.34Å; S219-H223 PolarHBondContact O-N 3.4Å
220L84.8Confident84.4Confident76 Ų7634.3 Ų34.340%0.39817%0.173SC..Hα-helixtrans-65.7-41176.4-170.6150.2000110.9L216 L217 L222 H223 D224L216-L220 WeakPolarHBondContact O-CB 3.47Å; L216-L220 PolarHBondContact O-N 3.18Å; L217-L220 PolarHBondContact O-N 2.83Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.48Å; L220-H223 WeakPolarHBondContact O-CB 3.42Å; L220-H223 PolarHBondContact O-N 3.46Å; L220-H223 VanDerWaalsContact O-N 3.09Å; L220-D224 VanDerWaalsContact CD2-OD2 3.24Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.3Å; L220-D224 PolarHBondContact O-N 2.87Å
221Y80.4Confident84.1Confident19 Ų1935.8 Ų35.88%0.07518%0.181CC..Hα-helixtrans-61.6-38172.5-60.1-44.7000112.6Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.31Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.5Å; Q152-Y221 PolarHBondContact NE2-OH 3.37Å; Q152-Y221 PolarHBondContact OE1-OH 3.16Å; L217-Y221 HydrophobicContact CB-CE2 4.13Å; L217-Y221 WeakPolarHBondContact O-CD2 3.42Å; L217-Y221 WeakPolarHBondContact O-CE2 3.43Å; L217-Y221 PolarHBondContact O-N 3.47Å; V218-Y221 PolarHBondContact O-N 3.35Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.32Å; Y221-N225 WeakPolarHBondContact O-CB 3.41Å; Y221-N225 PolarHBondContact O-N 3.47Å; Y221-N225 VanDerWaalsContact O-N 3.14Å; Y221-N225 PolarHBondContact O-ND2 2.79Å
222L82.1Confident83.7Confident3 Ų338.2 Ų38.22%0.01619%0.193CC..Hα-helixtrans-64.3-41.7174.8-160.990.8000110.7G65 W68 A112 V218 S219 L220 N225 T226G65-L222 WeakPolarHBondContact O-CD2 3.45Å; W68-L222 HydrophobicContact CB-CD1 4.29Å; W68-L222 HydrophobicContact CB-CD2 3.65Å; W68-L222 HydrophobicContact CD2-CD1 3.45Å; W68-L222 VanDerWaalsContact CD2-CD1 3.45Å; W68-L222 HydrophobicContact CD2-CD2 4.44Å; W68-L222 HydrophobicContact CE3-CD1 3.66Å; W68-L222 HydrophobicContact CG-CD1 3.68Å; W68-L222 HydrophobicContact CG-CD2 3.81Å; W68-L222 HydrophobicContact CG-CG 4.42Å; W68-L222 HydrophobicContact CZ2-CD1 4.42Å; W68-L222 HydrophobicContact CZ3-CD1 4.28Å; A112-L222 HydrophobicContact CB-CD1 4.42Å; V218-L222 PolarHBondContact O-N 3.05Å; S219-L222 WeakPolarHBondContact O-CB 3.4Å; S219-L222 PolarHBondContact O-N 3.34Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.48Å; L222-N225 PolarHBondContact O-N 3.13Å; L222-T226 HydrophobicContact CG-CG2 4.31Å; L222-T226 WeakPolarHBondContact O-CB 3.34Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.38Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.31Å
223H82.3Confident83.3Confident88 Ų8833.6 Ų33.641%0.40718%0.178SC..Hα-helixtrans-60.6-50.8177.1-174.383.9000111.8M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.48Å; M60-H223 PolarHBondContact O-ND1 2.97Å; S219-H223 PolarHBondContact O-N 3.4Å; L220-H223 WeakPolarHBondContact O-CB 3.42Å; L220-H223 PolarHBondContact O-N 3.46Å; L220-H223 VanDerWaalsContact O-N 3.09Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.3Å; H223-T226 PolarHBondContact O-N 3.47Å; H223-T226 VanDerWaalsContact O-N 3.15Å; H223-T226 PolarHBondContact O-OG1 3.39Å
224D78.7Confident82.7Confident71 Ų7133.1 Ų33.138%0.3817%0.172SC..Hα-helixtrans-62.3-30.4-179.6-66.3-14.1000112.7L220L220-D224 VanDerWaalsContact CD2-OD2 3.24Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.3Å; L220-D224 PolarHBondContact O-N 2.87Å
225N74.4Confident82.3Confident26 Ų2635.8 Ų35.814%0.13919%0.187CC..THydrogen-bonded Turntrans-92-0.5179.7-73.6-69.8000114.3G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.23Å; G116-N225 WeakPolarHBondContact CA-O 3.26Å; S119-N225 PolarHBondContact OG-O 3.35Å; Y221-N225 VanDerWaalsContact O-CB 3.32Å; Y221-N225 WeakPolarHBondContact O-CB 3.41Å; Y221-N225 PolarHBondContact O-N 3.47Å; Y221-N225 VanDerWaalsContact O-N 3.14Å; Y221-N225 PolarHBondContact O-ND2 2.79Å; L222-N225 PolarHBondContact O-N 3.13Å; H223-N225 PolarHBondContact O-N 3.3Å
226T69.5Low81.7Confident32 Ų3239.1 Ų39.120%0.19620%0.204CC..  trans-109.60-178.451.80000114.9M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.25Å; K120-T226 VanDerWaalsContact CE-O 3.31Å; K120-T226 WeakPolarHBondContact CE-O 3.34Å; K120-T226 PolarHBondContact NZ-O 3.22Å; K120-T226 PolarHBondContact NZ-OXT 3.43Å; L222-T226 HydrophobicContact CG-CG2 4.31Å; L222-T226 WeakPolarHBondContact O-CB 3.34Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.38Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.31Å; H223-T226 PolarHBondContact O-N 3.47Å; H223-T226 VanDerWaalsContact O-N 3.15Å; H223-T226 PolarHBondContact O-OG1 3.39Å

Retrieved 226 of 226 residues in 62.7 ms (Link to these results)

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