Q9B1K9_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession Q9B1K9, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.6Very low71.3Confident214 Ų214101.5 Ų101.5100%1.05455%0.547SS*.  0117.70-69.2159.89800105.9E3M1-E3 PolarHBondContact O-N 3.45Å
2N45.9Very low72.2Confident161 Ų16196.3 Ų96.386%0.86152%0.522SS*.  trans-68.384.5169.1-103.217.3000106.3N4N2-N4 PolarHBondContact O-N 3.01Å
3E58.5Low73.2Confident130 Ų13096.6 Ų96.661%0.60753%0.53SS*.  trans-55.9114.3164.8-73.1-77.6144.100105.5M1 L5M1-E3 PolarHBondContact O-N 3.45Å; E3-L5 PolarHBondContact O-N 3.17Å
4N74.9Confident74.1Confident120 Ų12096 Ų9664%0.64253%0.53SS*.  trans-69.981.1179.6-76.5-28.2000108.2N2 F6 A7N2-N4 PolarHBondContact O-N 3.01Å; N4-F6 PolarHBondContact O-N 3.37Å; N4-A7 HydrophobicContact CB-CB 3.83Å; N4-A7 WeakPolarHBondContact O-CB 2.92Å; N4-A7 PolarHBondContact O-N 3.32Å
5L74.6Confident74.7Confident48 Ų48101.3 Ų101.325%0.25156%0.556SS.*THydrogen-bonded Turntrans-52.3-27.4176-64.4175.4000111.8E3 L169 H172 L173E3-L5 PolarHBondContact O-N 3.17Å; L5-L169 HydrophobicContact CB-CD2 4.3Å; L5-H172 VanDerWaalsContact CD2-CE1 3.42Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.25Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.34Å; L5-L173 HydrophobicContact CD1-CD2 3.86Å; L5-L173 HydrophobicContact CD2-CD2 4.45Å
6F80.4Confident75.2Confident135 Ų13599.4 Ų99.459%0.59257%0.567SS**THydrogen-bonded Turntrans-88.7-5.7179.8-63.7-76.6000114.9N4 S8 F9 L169N4-F6 PolarHBondContact O-N 3.37Å; F6-S8 PolarHBondContact O-N 3.36Å; F6-F9 AromaticContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CE2 4.35Å; F6-F9 PolarHBondContact O-N 3.39Å; F6-L169 HydrophobicContact CD1-CD2 4.47Å; F6-L169 HydrophobicContact CE1-CD1 4.08Å; F6-L169 HydrophobicContact CE1-CD2 4.14Å
7A78.4Confident75.7Confident53 Ų53101 Ų10144%0.43857%0.572SS.*G310 helixtrans-60-32.8-178.200000112.4N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.83Å; N4-A7 WeakPolarHBondContact O-CB 2.92Å; N4-A7 PolarHBondContact O-N 3.32Å; A7-F9 PolarHBondContact O-N 3.1Å; A7-I10 PolarHBondContact O-N 3.29Å
8S78.4Confident76.2Confident61 Ų6199.7 Ų99.743%0.42757%0.569SS.*G310 helixtrans-67.2-20.8176.856.20000114F6 F92F6-S8 PolarHBondContact O-N 3.36Å; S8-F92 WeakPolarHBondContact O-CD2 3.38Å
9F81.6Confident76.6Confident21 Ų2195.8 Ų95.89%0.09255%0.55CS..G310 helixtrans-93.5-9.8178.3-58.3-69000113.1F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CE2 4.35Å; F6-F9 PolarHBondContact O-N 3.39Å; A7-F9 PolarHBondContact O-N 3.1Å; F9-A11 PolarHBondContact O-N 3.32Å; F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 2.81Å; F9-T165 HydrophobicContact CD1-CG2 4.36Å; F9-T165 HydrophobicContact CE1-CG2 4.06Å; F9-H168 HydrophobicContact CE1-CB 4.13Å; F9-H168 HydrophobicContact CZ-CB 3.86Å; F9-L169 HydrophobicContact CE2-CD1 4.39Å; F9-L169 HydrophobicContact CE2-CD2 3.69Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.33Å; F9-L169 HydrophobicContact CZ-CG 3.93Å
10I83.6Confident77Confident122 Ų12292 Ų9263%0.62653%0.53SS*.SBendtrans-70129.6178.2-59.7174.3000108.3A7 P12A7-I10 PolarHBondContact O-N 3.29Å; I10-P12 WeakPolarHBondContact O-CD 3.13Å
11A82.2Confident77.4Confident51 Ų5191.5 Ų91.542%0.42153%0.528SS..PPolyproline II helixtrans-58.1121.3-18000000110.2F9 T13F9-A11 PolarHBondContact O-N 3.32Å; A11-T13 PolarHBondContact O-N 2.85Å
12P81.9Confident79.3Confident39 Ų3987.4 Ų87.425%0.25351%0.51SS..PPolyproline II helixtrans-70.8127.6-174.526.8-33.2000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.13Å; P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.3Å; P12-A19 WeakPolarHBondContact O-CB 3.37Å; P12-A19 PolarHBondContact O-N 3.04Å; P12-I23 HydrophobicContact CG-CD1 3.6Å; P12-F92 HydrophobicContact CG-CB 4.38Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CD2 4.48Å; P12-F92 HydrophobicContact CG-CG 4.07Å
13T85.8Confident81.3Confident101 Ų10181.9 Ų81.962%0.6248%0.48SS*.EExtended strand (participates in β ladder)trans-116.9125.5170.352.70000108.5A11 L17A11-T13 PolarHBondContact O-N 2.85Å; T13-L17 CarbonylContact C-O 3.6Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.36Å
14V85.4Confident82.7Confident88 Ų8878 Ų7853%0.53346%0.463SS..EExtended strand (participates in β ladder)trans-113.1122.5176.3176.80000106.8G16 L17 A19V14-G16 PolarHBondContact O-N 3.05Å; V14-G16 VanDerWaalsContact O-N 3.13Å; V14-L17 PolarHBondContact N-O 3.31Å; V14-L17 PolarHBondContact O-N 2.97Å; V14-A19 HydrophobicContact CB-CB 4.44Å; V14-A19 HydrophobicContact CG2-CB 3.91Å
15L83.8Confident83.2Confident175 Ų17577.9 Ų77.992%0.91646%0.462SS*.THydrogen-bonded Turntrans54.730.2-179.5-68.9155.7000113.8L17L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.42Å
16G82.4Confident83.9Confident71 Ų7179.9 Ų79.973%0.73247%0.469SS*.THydrogen-bonded Turntrans81.1-2.2-177.300000115.2V14V14-G16 PolarHBondContact O-N 3.05Å; V14-G16 VanDerWaalsContact O-N 3.13Å
17L83Confident84.2Confident127 Ų12773.5 Ų73.567%0.66544%0.441SS*.EExtended strand (participates in β ladder)trans-93.8141.6172.7-67170.1000111T13 V14 L15 A19T13-L17 CarbonylContact C-O 3.6Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.36Å; V14-L17 PolarHBondContact N-O 3.31Å; V14-L17 PolarHBondContact O-N 2.97Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.42Å; L17-A19 PolarHBondContact O-N 2.98Å
18P84.5Confident84.5Confident78 Ų7874.3 Ų74.351%0.50644%0.442SS..EExtended strand (participates in β ladder)trans-71.4101.8177.929.1-33.1000110.4A20 V21P18-A20 PolarHBondContact O-N 3.37Å; P18-V21 HydrophobicContact CG-CG2 4.24Å; P18-V21 PolarHBondContact O-N 2.93Å
19A85.1Confident84.9Confident25 Ų2578 Ų7821%0.20746%0.456CS..THydrogen-bonded Turntrans-68.3-16.3176.900000112.4P12 V14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.3Å; P12-A19 WeakPolarHBondContact O-CB 3.37Å; P12-A19 PolarHBondContact O-N 3.04Å; V14-A19 HydrophobicContact CB-CB 4.44Å; V14-A19 HydrophobicContact CG2-CB 3.91Å; L17-A19 PolarHBondContact O-N 2.98Å; A19-V21 PolarHBondContact O-N 3.47Å; A19-L22 PolarHBondContact O-N 3.14Å; A19-L22 VanDerWaalsContact O-N 3.11Å; A19-I23 PolarHBondContact O-N 2.95Å
20A84.9Confident85.2Confident19 Ų1980.5 Ų80.516%0.15747%0.47CS..Hα-helixtrans-53.1-34.7173.200000113.1P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.37Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.27Å; A20-I23 PolarHBondContact O-N 3.37Å; A20-I24 WeakPolarHBondContact O-CD1 3.28Å; A20-I24 VanDerWaalsContact O-CG1 3.25Å; A20-I24 WeakPolarHBondContact O-CG1 3.47Å; A20-I24 PolarHBondContact O-N 2.96Å; A20-F92 HydrophobicContact CB-CE1 4.36Å
21V84.8Confident85.3Confident82 Ų8277.3 Ų77.350%0.49745%0.454SS..Hα-helixtrans-63.6-42.3179.2-179.60000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.24Å; P18-V21 PolarHBondContact O-N 2.93Å; A19-V21 PolarHBondContact O-N 3.47Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.42Å; V21-I24 PolarHBondContact O-N 3.1Å; V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 3.35Å; V21-L25 PolarHBondContact O-N 2.98Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L85.7Confident85.5Confident128 Ų12877.7 Ų77.767%0.6745%0.452SS*.Hα-helixtrans-66.5-37.9179.3-168.5141.4000111.2A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.14Å; A19-L22 VanDerWaalsContact O-N 3.11Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.27Å; L22-L25 PolarHBondContact O-N 3.04Å; L22-F26 PolarHBondContact O-N 3.3Å
23I87.1Confident85.7Confident45 Ų4582.3 Ų82.323%0.23148%0.48CS..Hα-helixtrans-66.5-41.3176.7-61.8162.7000110.8P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.6Å; A19-I23 PolarHBondContact O-N 2.95Å; A20-I23 PolarHBondContact O-N 3.37Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.42Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.43Å; I23-F26 WeakPolarHBondContact O-CB 3.32Å; I23-F26 PolarHBondContact O-N 3.48Å; I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I23-F92 HydrophobicContact CD1-CB 4.09Å; I23-F92 HydrophobicContact CD1-CD1 3.92Å; I23-F92 HydrophobicContact CD1-CG 4.38Å; I23-F92 HydrophobicContact CG2-CD1 4.42Å; I23-F92 WeakPolarHBondContact CG2-O 3.3Å
24I87.8Confident85.7Confident49 Ų4979.3 Ų79.325%0.25146%0.463SS..Hα-helixtrans-64.9-32.7176.8-68.9163.9000111.8A20 V21 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 3.28Å; A20-I24 VanDerWaalsContact O-CG1 3.25Å; A20-I24 WeakPolarHBondContact O-CG1 3.47Å; A20-I24 PolarHBondContact O-N 2.96Å; V21-I24 PolarHBondContact O-N 3.1Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; I24-F78 HydrophobicContact CG2-CZ 4.31Å; I24-P94 HydrophobicContact CD1-CB 4.24Å; I24-P94 HydrophobicContact CG1-CB 3.66Å; I24-P94 HydrophobicContact CG1-CG 4.02Å; I24-M100 HydrophobicContact CD1-SD 4.45Å; I24-M100 HydrophobicContact CG2-CE 4.3Å
25L86.4Confident85.7Confident118 Ų11885.2 Ų85.262%0.61848%0.481SS*.Hα-helixtrans-82.2-10.7178.9-71.5172.6000114.1V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 3.35Å; V21-L25 PolarHBondContact O-N 2.98Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.04Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.43Å; L25-P28 WeakPolarHBondContact O-CD 3.33Å
26F88.1Confident85.8Confident89 Ų8985.7 Ų85.739%0.3947%0.472SS..Hα-helixtrans-69.4-44.1-177.8-169.5-93.9000114.9L22 I23 L29 L30 L85L22-F26 PolarHBondContact O-N 3.3Å; I23-F26 WeakPolarHBondContact O-CB 3.32Å; I23-F26 PolarHBondContact O-N 3.48Å; F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.21Å; F26-L29 PolarHBondContact O-N 3.44Å; F26-L30 HydrophobicContact CD1-CD1 4.19Å; F26-L30 HydrophobicContact CD1-CG 4.42Å; F26-L30 HydrophobicContact CE1-CD1 4Å; F26-L30 HydrophobicContact CE1-CD2 4.04Å; F26-L30 HydrophobicContact CE1-CG 4.13Å; F26-L30 HydrophobicContact CZ-CD2 4.42Å; F26-L85 HydrophobicContact CD1-CD1 4.4Å; F26-L85 HydrophobicContact CD1-CD2 3.42Å; F26-L85 VanDerWaalsContact CD1-CD2 3.42Å; F26-L85 HydrophobicContact CE1-CD1 4.23Å; F26-L85 HydrophobicContact CE1-CD2 3.84Å; F26-L85 HydrophobicContact CG-CD2 4.45Å
27P88Confident85.6Confident2 Ų290.9 Ų90.91%0.01348%0.482CS..Hα-helixtrans-56.8-42-178.8-1317.5000115.3I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; P27-L29 PolarHBondContact O-N 3.2Å; P27-L30 WeakPolarHBondContact O-CB 3.43Å; P27-L30 PolarHBondContact O-N 3.26Å; P27-T81 WeakPolarHBondContact CB-OG1 3.2Å; P27-T82 HydrophobicContact CB-CG2 4.19Å; P27-T82 HydrophobicContact CG-CG2 3.42Å; P27-T82 VanDerWaalsContact CG-CG2 3.42Å
28P84.1Confident85.7Confident70 Ų7092.3 Ų92.346%0.45549%0.489SS..Hα-helixtrans-55.2-32.8173.4-27.533.5000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.33Å; P28-L30 PolarHBondContact O-N 2.77Å; P28-I31 PolarHBondContact O-N 3.38Å
29L87.3Confident85.9Confident137 Ų13789.7 Ų89.772%0.71747%0.471SS*.Hα-helixtrans-68.3-24.8179.4-171.964.7000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.21Å; F26-L29 PolarHBondContact O-N 3.44Å; P27-L29 PolarHBondContact O-N 3.2Å; L29-I31 PolarHBondContact O-N 2.94Å
30L86.8Confident86Confident75 Ų7594 Ų9439%0.39349%0.49SS..THydrogen-bonded Turntrans-75.1-6178.6-63171000113.5F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.19Å; F26-L30 HydrophobicContact CD1-CG 4.42Å; F26-L30 HydrophobicContact CE1-CD1 4Å; F26-L30 HydrophobicContact CE1-CD2 4.04Å; F26-L30 HydrophobicContact CE1-CG 4.13Å; F26-L30 HydrophobicContact CZ-CD2 4.42Å; P27-L30 WeakPolarHBondContact O-CB 3.43Å; P27-L30 PolarHBondContact O-N 3.26Å; P28-L30 PolarHBondContact O-N 2.77Å; L30-P32 VanDerWaalsContact C-CD 3.4Å; L30-P32 WeakPolarHBondContact O-CD 3.46Å; L30-Q46 PolarHBondContact O-NE2 3.27Å; L30-L85 HydrophobicContact CD1-CD1 3.38Å
31I87.3Confident86.2Confident55 Ų55103.1 Ų103.128%0.28252%0.52SS..SBendtrans-10881.6-178.9-53.7161.3000108.3P28 L29 I77P28-I31 PolarHBondContact O-N 3.38Å; L29-I31 PolarHBondContact O-N 2.94Å; I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.4Å
32P85.5Confident86.4Confident58 Ų58103.3 Ų103.338%0.37752%0.518SS..  trans-67.1138.7177.927.2-33.6000110.5L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.4Å; L30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-L42 HydrophobicContact CG-CD2 3.52Å; P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CB-CG1 4.47Å; P32-I43 HydrophobicContact CG-CD1 4.44Å; P32-I43 HydrophobicContact CG-CG1 3.99Å
33T86.1Confident86.7Confident137 Ų13798 Ų9884%0.8449%0.491SS*.  trans-103.3141.8170.558.40000109.4
34S86.1Confident86.9Confident38 Ų3898.9 Ų98.927%0.26650%0.498SS..  trans-125.2143.1173.3170.10000110.2Y36 N39S34-Y36 PolarHBondContact OG-N 3.37Å; S34-Y36 VanDerWaalsContact OG-N 3.15Å; S34-N39 WeakPolarHBondContact CB-OD1 3.29Å; S34-N39 PolarHBondContact OG-OD1 2.84Å
35K84.9Confident87Confident212 Ų212100.6 Ų100.692%0.92251%0.511SS*.  trans-85.4-12.8176.4-61.8-179.3-178.6178.20112.8
36Y86.2Confident87.2Confident185 Ų18597.2 Ų97.273%0.72549%0.492SS*.SBendtrans-81.5152.1-175.6-59.7-73.4000112.1S34 N39S34-Y36 PolarHBondContact OG-N 3.37Å; S34-Y36 VanDerWaalsContact OG-N 3.15Å; Y36-N39 VanDerWaalsContact O-CG 3.32Å; Y36-N39 PolarHBondContact O-ND2 2.9Å; Y36-N39 PolarHBondContact O-OD1 3.49Å
37L77.9Confident87.3Confident179 Ų17997.7 Ų97.794%0.93750%0.495SS*.SBendtrans-71.8-39.9177.2-170.974.7000111.5
38I84.6Confident87.5Confident157 Ų157105.6 Ų105.681%0.80553%0.525SS*.SBendtrans-101112.3173.9-59.1170.1000107
39N88.3Confident87.8Confident24 Ų24106.7 Ų106.713%0.12853%0.527CS..  trans-108169.1-174.5-76.7-19.5000112.6S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.29Å; S34-N39 PolarHBondContact OG-OD1 2.84Å; Y36-N39 VanDerWaalsContact O-CG 3.32Å; Y36-N39 PolarHBondContact O-ND2 2.9Å; Y36-N39 PolarHBondContact O-OD1 3.49Å; N39-I43 HydrophobicContact CB-CB 3.96Å; N39-I43 HydrophobicContact CB-CG2 3.84Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.42Å; N39-T44 HydrophobicContact CB-CG2 4.17Å; N39-Q47 PolarHBondContact ND2-NE2 3.16Å
40N88.7Confident87.9Confident116 Ų116103 Ų10362%0.6251%0.507SS*.  trans-63.4153.3172.3-164.71000111.2L42 I43 T44N40-L42 PolarHBondContact O-N 3.29Å; N40-L42 VanDerWaalsContact O-N 3.15Å; N40-I43 PolarHBondContact O-N 3.06Å; N40-T44 PolarHBondContact O-N 3.2Å
41R89.2Confident88.1Confident210 Ų210106.7 Ų106.779%0.79252%0.52SS*.Hα-helixtrans-52.2-39-178-64.5-177.3-179.2-177.30.4112.8T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.26Å; R41-T44 PolarHBondContact O-N 3.11Å; R41-T44 PolarHBondContact O-OG1 3.26Å; R41-T45 WeakPolarHBondContact O-CG2 3.43Å; R41-T45 PolarHBondContact O-N 3.43Å; R41-T45 PolarHBondContact O-OG1 2.99Å
42L89Confident88.3Confident85 Ų85107.2 Ų107.245%0.44552%0.523SS..Hα-helixtrans-63.1-47.1177.8-174.4149.8000111.2P32 N40 T44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.52Å; N40-L42 PolarHBondContact O-N 3.29Å; N40-L42 VanDerWaalsContact O-N 3.15Å; L42-T44 PolarHBondContact O-N 3.08Å; L42-T45 PolarHBondContact O-N 3.48Å; L42-T45 PolarHBondContact O-OG1 3.07Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.3Å; L42-Q46 WeakPolarHBondContact O-CG 3.5Å; L42-Q46 PolarHBondContact O-N 2.83Å
43I91.1Very high88.4Confident18 Ų18105.6 Ų105.69%0.09251%0.512CS..Hα-helixtrans-67.4-37.7179.9-60.2173.9000110.8P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CB-CG1 4.47Å; P32-I43 HydrophobicContact CG-CD1 4.44Å; P32-I43 HydrophobicContact CG-CG1 3.99Å; N39-I43 HydrophobicContact CB-CB 3.96Å; N39-I43 HydrophobicContact CB-CG2 3.84Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.42Å; N40-I43 PolarHBondContact O-N 3.06Å; I43-Q46 PolarHBondContact O-N 3.27Å; I43-Q47 HydrophobicContact CG2-CG 4.24Å; I43-Q47 WeakPolarHBondContact O-CB 3.48Å; I43-Q47 VanDerWaalsContact O-CG 3.26Å; I43-Q47 WeakPolarHBondContact O-CG 3.49Å; I43-Q47 PolarHBondContact O-N 3Å
44T90.9Very high88.5Confident62 Ų62100.4 Ų100.438%0.3848%0.481SS..Hα-helixtrans-66.4-41.5177.759.80000112N39 N40 R41 L42 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.17Å; N40-T44 PolarHBondContact O-N 3.2Å; R41-T44 WeakPolarHBondContact CA-OG1 3.26Å; R41-T44 PolarHBondContact O-N 3.11Å; R41-T44 PolarHBondContact O-OG1 3.26Å; L42-T44 PolarHBondContact O-N 3.08Å; T44-Q47 PolarHBondContact O-N 3.47Å; T44-W48 WeakPolarHBondContact O-CB 3.25Å; T44-W48 PolarHBondContact O-N 3.09Å
45T90.8Very high88.6Confident86 Ų86106.2 Ų106.253%0.52850%0.502SS..Hα-helixtrans-64.8-4017458.40000112.4R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.43Å; R41-T45 PolarHBondContact O-N 3.43Å; R41-T45 PolarHBondContact O-OG1 2.99Å; L42-T45 PolarHBondContact O-N 3.48Å; L42-T45 PolarHBondContact O-OG1 3.07Å; T45-W48 PolarHBondContact O-N 3.23Å; T45-L49 WeakPolarHBondContact O-CB 3.41Å; T45-L49 PolarHBondContact O-N 3.41Å
46Q90.6Very high88.7Confident46 Ų46101.9 Ų101.922%0.21548%0.484CS..Hα-helixtrans-62.3-49.1174.2-74.6177-20.100111.7L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.27Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.3Å; L42-Q46 WeakPolarHBondContact O-CG 3.5Å; L42-Q46 PolarHBondContact O-N 2.83Å; I43-Q46 PolarHBondContact O-N 3.27Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.43Å; Q46-L49 PolarHBondContact O-N 3.01Å; Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.2Å; Q46-I50 PolarHBondContact O-N 3.42Å
47Q90.1Very high88.5Confident99 Ų9993.6 Ų93.646%0.46345%0.453SS..Hα-helixtrans-60.8-38.9177.4-74.2176.9-1400112.1N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.16Å; I43-Q47 HydrophobicContact CG2-CG 4.24Å; I43-Q47 WeakPolarHBondContact O-CB 3.48Å; I43-Q47 VanDerWaalsContact O-CG 3.26Å; I43-Q47 WeakPolarHBondContact O-CG 3.49Å; I43-Q47 PolarHBondContact O-N 3Å; T44-Q47 PolarHBondContact O-N 3.47Å; Q47-K51 WeakPolarHBondContact O-CB 3Å; Q47-K51 PolarHBondContact O-N 2.86Å
48W91.7Very high88.8Confident168 Ų16886 Ų8664%0.63641%0.412SS*.Hα-helixtrans-63.4-44.6175.2-179.682.9000112T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.25Å; T44-W48 PolarHBondContact O-N 3.09Å; T45-W48 PolarHBondContact O-N 3.23Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.43Å; W48-K51 PolarHBondContact O-N 3.41Å; W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.47Å; W48-L52 HydrophobicContact CE3-CD1 3.78Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.35Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.62Å; W48-L52 WeakPolarHBondContact O-CG 3.18Å; W48-L52 PolarHBondContact O-N 3.16Å
49L90.4Very high88.7Confident94 Ų9482.2 Ų82.249%0.49240%0.404SS..Hα-helixtrans-65.2-41.9178-167146.4000112T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.41Å; T45-L49 PolarHBondContact O-N 3.41Å; Q46-L49 PolarHBondContact O-N 3.01Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 2.96Å; L49-L52 PolarHBondContact O-N 2.78Å; L49-T53 HydrophobicContact CD2-CG2 4.15Å; L49-T53 WeakPolarHBondContact O-CG2 3.43Å; L49-T53 PolarHBondContact O-N 3.34Å; L49-T53 PolarHBondContact O-OG1 3.11Å
50I90.9Very high88.1Confident59 Ų5986.9 Ų86.930%0.30343%0.427SS..Hα-helixtrans-61.4-42.4174-67168.8000110.8Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.2Å; Q46-I50 PolarHBondContact O-N 3.42Å; I50-T53 WeakPolarHBondContact CA-OG1 3.47Å; I50-T53 PolarHBondContact O-OG1 2.98Å; I50-T53 VanDerWaalsContact O-OG1 3.07Å; I50-S54 VanDerWaalsContact O-CB 3.22Å; I50-S54 WeakPolarHBondContact O-CB 3.33Å; I50-S54 PolarHBondContact O-N 3.46Å; I50-S54 PolarHBondContact O-OG 2.72Å; I50-V73 HydrophobicContact CG2-CG1 3.87Å; I50-I77 HydrophobicContact CD1-CD1 4.04Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å
51K90.7Very high87.7Confident152 Ų15281.7 Ų81.766%0.66140%0.399SS*.Hα-helixtrans-65.8-38.9178.6-172.5176.3-179.6178.30112.4Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3Å; Q47-K51 PolarHBondContact O-N 2.86Å; W48-K51 PolarHBondContact O-N 3.41Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 2.96Å; K51-S54 WeakPolarHBondContact CA-OG 3.32Å; K51-S54 PolarHBondContact O-OG 3.13Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; K51-K55 VanDerWaalsContact O-CB 3.26Å; K51-K55 WeakPolarHBondContact O-CB 3.33Å; K51-K55 PolarHBondContact O-N 3.13Å; K51-K55 VanDerWaalsContact O-N 3.1Å
52L90.8Very high87.2Confident67 Ų6777 Ų7735%0.35139%0.389SS..Hα-helixtrans-68.4-50.1177.8-75.7177.3000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.47Å; W48-L52 HydrophobicContact CE3-CD1 3.78Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.35Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.62Å; W48-L52 WeakPolarHBondContact O-CG 3.18Å; W48-L52 PolarHBondContact O-N 3.16Å; L49-L52 PolarHBondContact O-N 2.78Å; L52-K55 PolarHBondContact O-N 3.28Å; L52-Q56 WeakPolarHBondContact O-CG 3.39Å; L52-Q56 PolarHBondContact O-N 3.16Å
53T87.7Confident86.7Confident23 Ų2378.5 Ų78.514%0.14140%0.402CS..Hα-helixtrans-61.7-47.1-179.749.40000111.1L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.15Å; L49-T53 WeakPolarHBondContact O-CG2 3.43Å; L49-T53 PolarHBondContact O-N 3.34Å; L49-T53 PolarHBondContact O-OG1 3.11Å; I50-T53 WeakPolarHBondContact CA-OG1 3.47Å; I50-T53 PolarHBondContact O-OG1 2.98Å; I50-T53 VanDerWaalsContact O-OG1 3.07Å; T53-K55 PolarHBondContact O-N 2.93Å; T53-Q56 PolarHBondContact O-N 3.43Å; T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 3.1Å
54S88.3Confident86Confident28 Ų2883.7 Ų83.720%0.19642%0.424CS..Hα-helixtrans-60.5-42.7176.460.90000112.3I50 K51 M58I50-S54 VanDerWaalsContact O-CB 3.22Å; I50-S54 WeakPolarHBondContact O-CB 3.33Å; I50-S54 PolarHBondContact O-N 3.46Å; I50-S54 PolarHBondContact O-OG 2.72Å; K51-S54 WeakPolarHBondContact CA-OG 3.32Å; K51-S54 PolarHBondContact O-OG 3.13Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; S54-M58 WeakPolarHBondContact O-CB 3.37Å; S54-M58 WeakPolarHBondContact O-CG 3.4Å; S54-M58 PolarHBondContact O-N 3.22Å
55K88.6Confident85.3Confident161 Ų16180.7 Ų80.770%0.741%0.406SS*.Hα-helixtrans-61.1-45176.3-173.4-179.6178-174.50112.4K51 L52 T53 A59K51-K55 VanDerWaalsContact O-CB 3.26Å; K51-K55 WeakPolarHBondContact O-CB 3.33Å; K51-K55 PolarHBondContact O-N 3.13Å; K51-K55 VanDerWaalsContact O-N 3.1Å; L52-K55 PolarHBondContact O-N 3.28Å; T53-K55 PolarHBondContact O-N 2.93Å; K55-A59 PolarHBondContact O-N 3.33Å
56Q86.1Confident84.9Confident120 Ų12083.2 Ų83.256%0.56141%0.406SS*.Hα-helixtrans-67.1-45.8-178.8-73.4177.7-22.400111.9L52 T53L52-Q56 WeakPolarHBondContact O-CG 3.39Å; L52-Q56 PolarHBondContact O-N 3.16Å; T53-Q56 PolarHBondContact O-N 3.43Å
57M83.4Confident84.7Confident12 Ų1285.9 Ų85.96%0.05943%0.425CS..Hα-helixtrans-68.1-40.4-179.6-68.3-173.2144.800112.7T53 A59 H61 L72 I76 T215T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 3.1Å; M57-A59 VanDerWaalsContact C-N 3.29Å; M57-A59 PolarHBondContact O-N 2.96Å; M57-H61 PolarHBondContact O-ND1 3.13Å; M57-L72 HydrophobicContact SD-CB 4.44Å; M57-I76 HydrophobicContact CE-CD1 4.06Å; M57-T215 WeakPolarHBondContact CE-OG1 3.36Å
58M83.4Confident84.5Confident19 Ų1983.6 Ų83.69%0.09441%0.413CS..Hα-helixtrans-78.6-12.2-177.1-64.6-59.9112.600113.7S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.37Å; S54-M58 WeakPolarHBondContact O-CG 3.4Å; S54-M58 PolarHBondContact O-N 3.22Å; M58-M60 PolarHBondContact O-N 3.43Å; M58-H61 PolarHBondContact O-N 2.95Å; M58-R66 HydrophobicContact SD-CB 4.3Å; M58-R66 HydrophobicContact SD-CG 3.98Å; M58-S69 WeakPolarHBondContact SD-CB 3.35Å; M58-L72 HydrophobicContact CE-CD1 3.79Å
59A83.1Confident84.2Confident77 Ų7777 Ų7764%0.63639%0.392SS*.THydrogen-bonded Turntrans-62.4-31.4175.200000112.3K55 M57K55-A59 PolarHBondContact O-N 3.33Å; M57-A59 VanDerWaalsContact C-N 3.29Å; M57-A59 PolarHBondContact O-N 2.96Å
60M75.6Confident84.2Confident123 Ų12379.5 Ų79.561%0.60641%0.405SS*.THydrogen-bonded Turntrans-84.9-9.6-179.6-57.2-171-172.200113.6M58 H223M58-M60 PolarHBondContact O-N 3.43Å; M60-H223 PolarHBondContact O-CE1 3.43Å; M60-H223 PolarHBondContact O-ND1 3.26Å
61H80.4Confident84.2Confident7 Ų779.1 Ų79.13%0.03240%0.403CS..  trans-108.2140.3-168.1-72.176.9000113.9M57 M58 R66 S219M57-H61 PolarHBondContact O-ND1 3.13Å; M58-H61 PolarHBondContact O-N 2.95Å; H61-R66 HydrophobicContact CB-CG 4.44Å; H61-R66 PolarHBondContact O-NE 3.08Å; H61-S219 PolarHBondContact CE1-O 3Å; H61-S219 PolarHBondContact NE2-O 2.95Å
62N77.9Confident84.1Confident110 Ų11072 Ų7259%0.58837%0.372SS*.  trans-71.2170.5168.3-84.7-20.7000112.4K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.19Å; N62-G65 PolarHBondContact O-N 3.4Å; N62-R66 PolarHBondContact O-N 3.47Å
63T78.4Confident84.1Confident117 Ų11769.5 Ų69.572%0.71836%0.36SS*.THydrogen-bonded Turntrans-53.8-37.7-175.653.10000114.1
64K76.9Confident84.3Confident127 Ų12771.7 Ų71.755%0.55238%0.376SS*.THydrogen-bonded Turntrans-68.2-44.7174.7-69.6-176.2-178.7177.80112.3N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.19Å; K64-R66 VanDerWaalsContact C-N 3.26Å; K64-R66 PolarHBondContact O-N 3.47Å; K64-T67 WeakPolarHBondContact O-CB 3.31Å; K64-T67 PolarHBondContact O-N 3.34Å; K64-T67 PolarHBondContact O-OG1 2.93Å
65G76.7Confident84.4Confident0 Ų071.1 Ų71.10%037%0.37CS..G310 helixtrans-63.8-30.5177.200000113.1N62 T67 W68N62-G65 PolarHBondContact O-N 3.4Å; G65-T67 PolarHBondContact O-N 3.11Å; G65-T67 VanDerWaalsContact O-N 3.17Å; G65-W68 PolarHBondContact O-N 3.35Å; G65-W68 VanDerWaalsContact O-N 3.08Å
66R82.1Confident84.5Confident139 Ų13964.2 Ų64.253%0.52534%0.341SS..G310 helixtrans-62.6-20.9175.5-72.4-178.4-177.1-179.40.4114.2M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact SD-CB 4.3Å; M58-R66 HydrophobicContact SD-CG 3.98Å; H61-R66 HydrophobicContact CB-CG 4.44Å; H61-R66 PolarHBondContact O-NE 3.08Å; N62-R66 PolarHBondContact O-N 3.47Å; K64-R66 VanDerWaalsContact C-N 3.26Å; K64-R66 PolarHBondContact O-N 3.47Å; R66-W68 PolarHBondContact O-N 3.34Å; R66-S69 WeakPolarHBondContact O-CB 3.35Å; R66-S69 PolarHBondContact O-N 3.27Å; R66-S69 VanDerWaalsContact O-N 3.08Å
67T85.3Confident84.7Confident101 Ų10160.1 Ų60.162%0.6232%0.322SS*.G310 helixtrans-63.4-25.9174.561.90000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.31Å; K64-T67 PolarHBondContact O-N 3.34Å; K64-T67 PolarHBondContact O-OG1 2.93Å; G65-T67 PolarHBondContact O-N 3.11Å; G65-T67 VanDerWaalsContact O-N 3.17Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.4Å
68W85.5Confident85.1Confident52 Ų5261.9 Ų61.920%0.19733%0.33CS..G310 helixtrans-84.92.3176.9-72.861.7000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 3.35Å; G65-W68 VanDerWaalsContact O-N 3.08Å; R66-W68 PolarHBondContact O-N 3.34Å; W68-L70 VanDerWaalsContact C-N 3.32Å; W68-L70 PolarHBondContact O-N 3.45Å; W68-M71 HydrophobicContact CD2-CE 4.23Å; W68-M71 HydrophobicContact CE3-CE 3.08Å; W68-M71 HydrophobicContact CE3-SD 3.65Å; W68-M71 HydrophobicContact CH2-SD 4.38Å; W68-M71 HydrophobicContact CZ3-CE 3.29Å; W68-M71 HydrophobicContact CZ3-SD 3.5Å; W68-M71 VanDerWaalsContact CZ3-SD 3.5Å; W68-M71 PolarHBondContact O-N 3.19Å; W68-M71 VanDerWaalsContact O-N 3.13Å; W68-L72 PolarHBondContact O-N 2.89Å; W68-M115 HydrophobicContact CZ2-SD 4.04Å; W68-M115 PolarHBondContact NE1-SD 2.68Å; W68-L222 HydrophobicContact CB-CD2 3.43Å; W68-L222 VanDerWaalsContact CB-CD2 3.43Å; W68-L222 HydrophobicContact CD2-CD1 3.97Å; W68-L222 HydrophobicContact CD2-CD2 4.09Å; W68-L222 HydrophobicContact CE3-CD1 4.28Å; W68-L222 HydrophobicContact CE3-CD2 4.47Å; W68-L222 HydrophobicContact CG-CD1 4.12Å; W68-L222 HydrophobicContact CG-CD2 3.56Å
69S86.8Confident85.4Confident30 Ų3061 Ų6121%0.2133%0.325CS..Hα-helixtrans-54.6-46.9-177.7-175.10000112.5M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact SD-CB 3.35Å; R66-S69 WeakPolarHBondContact O-CB 3.35Å; R66-S69 PolarHBondContact O-N 3.27Å; R66-S69 VanDerWaalsContact O-N 3.08Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.4Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.43Å; S69-L72 PolarHBondContact O-N 3.01Å; S69-V73 WeakPolarHBondContact O-CB 3.43Å; S69-V73 VanDerWaalsContact O-CG2 3.26Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.08Å
70L89.9Confident85.7Confident146 Ų14658.7 Ų58.776%0.76431%0.307SS*.Hα-helixtrans-57.5-45.4180-171.189.8000111.1W68 V73 S74W68-L70 VanDerWaalsContact C-N 3.32Å; W68-L70 PolarHBondContact O-N 3.45Å; L70-V73 PolarHBondContact O-N 2.64Å; L70-S74 WeakPolarHBondContact O-CB 3.25Å; L70-S74 PolarHBondContact O-N 3.17Å; L70-S74 PolarHBondContact O-OG 3.36Å
71M90.4Very high86.4Confident51 Ų5154.5 Ų54.525%0.25129%0.288SS..Hα-helixtrans-66.9-47.4-176.9-167.4-162.473.200111W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.23Å; W68-M71 HydrophobicContact CE3-CE 3.08Å; W68-M71 HydrophobicContact CE3-SD 3.65Å; W68-M71 HydrophobicContact CH2-SD 4.38Å; W68-M71 HydrophobicContact CZ3-CE 3.29Å; W68-M71 HydrophobicContact CZ3-SD 3.5Å; W68-M71 VanDerWaalsContact CZ3-SD 3.5Å; W68-M71 PolarHBondContact O-N 3.19Å; W68-M71 VanDerWaalsContact O-N 3.13Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.43Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 2.93Å; M71-S74 PolarHBondContact O-N 3.29Å; M71-S74 PolarHBondContact O-OG 3.18Å; M71-L75 VanDerWaalsContact O-CB 3.29Å; M71-L75 WeakPolarHBondContact O-CB 3.17Å; M71-L75 PolarHBondContact O-N 2.95Å; M71-L108 HydrophobicContact CE-CD2 3.24Å; M71-L108 HydrophobicContact CG-CD2 4.3Å; M71-L108 HydrophobicContact SD-CD2 3.45Å; M71-L108 WeakPolarHBondContact SD-CD2 3.32Å
72L89.6Confident86.9Confident1 Ų154.3 Ų54.31%0.00529%0.288CS..Hα-helixtrans-61.3-41.4177.8-70.2170.6000112.4M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.44Å; M58-L72 HydrophobicContact CE-CD1 3.79Å; W68-L72 PolarHBondContact O-N 2.89Å; S69-L72 PolarHBondContact O-N 3.01Å; L72-L75 WeakPolarHBondContact O-CB 3.47Å; L72-L75 PolarHBondContact O-N 3.24Å; L72-I76 PolarHBondContact O-N 3.15Å; L72-I76 VanDerWaalsContact O-N 3.08Å; L72-V218 HydrophobicContact CD2-CB 4.22Å; L72-V218 HydrophobicContact CD2-CG1 3.85Å
73V90.8Very high87.5Confident16 Ų1649.2 Ų49.210%0.09726%0.26CS..Hα-helixtrans-67.4-42.1176.9171.50000111.1I50 S69 L70 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.87Å; S69-V73 WeakPolarHBondContact O-CB 3.43Å; S69-V73 VanDerWaalsContact O-CG2 3.26Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.08Å; L70-V73 PolarHBondContact O-N 2.64Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 2.93Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.36Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.31Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.33Å; V73-I77 WeakPolarHBondContact O-CG1 3.45Å; V73-I77 PolarHBondContact O-N 2.99Å
74S90.9Very high88Confident68 Ų6848.3 Ų48.348%0.47625%0.25SS..Hα-helixtrans-63.3-38176.2700000112.1L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.25Å; L70-S74 PolarHBondContact O-N 3.17Å; L70-S74 PolarHBondContact O-OG 3.36Å; M71-S74 PolarHBondContact O-N 3.29Å; M71-S74 PolarHBondContact O-OG 3.18Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.3Å; S74-F78 PolarHBondContact O-N 3.36Å
75L90.3Very high88.6Confident16 Ų1644.2 Ų44.28%0.08423%0.234CC..Hα-helixtrans-66.1-48.1-179.3-173.478.7000111.9M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.29Å; M71-L75 WeakPolarHBondContact O-CB 3.17Å; M71-L75 PolarHBondContact O-N 2.95Å; L72-L75 WeakPolarHBondContact O-CB 3.47Å; L72-L75 PolarHBondContact O-N 3.24Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.36Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.32Å; L75-F78 PolarHBondContact O-N 3.09Å; L75-I79 HydrophobicContact CD1-CD1 4.15Å; L75-I79 HydrophobicContact CG-CD1 3.93Å; L75-I79 WeakPolarHBondContact O-CG1 3.36Å; L75-I79 PolarHBondContact O-N 3.08Å; L75-L108 HydrophobicContact CD1-CD1 3.42Å; L75-L108 VanDerWaalsContact CD1-CD1 3.42Å; L75-L108 HydrophobicContact CD2-CD1 3.78Å; L75-L108 HydrophobicContact CG-CD1 4.25Å; L75-F214 HydrophobicContact CD1-CE1 4.2Å; L75-F214 HydrophobicContact CD2-CD1 3.88Å; L75-F214 HydrophobicContact CD2-CE1 3.81Å; L75-F214 HydrophobicContact CG-CD1 4.36Å; L75-F214 HydrophobicContact CG-CE1 4.25Å; L75-T215 HydrophobicContact CB-CG2 4.09Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.78Å
76I90.8Very high89Confident17 Ų1744.3 Ų44.39%0.08724%0.235CC..Hα-helixtrans-64-40.5-179.4-167.3172000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 4.06Å; L72-I76 PolarHBondContact O-N 3.15Å; L72-I76 VanDerWaalsContact O-N 3.08Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.31Å; I76-A80 WeakPolarHBondContact O-CB 3.22Å; I76-A80 PolarHBondContact O-N 3.35Å; I76-A211 HydrophobicContact CG1-CB 4.49Å; I76-Y212 HydrophobicContact CD1-CD2 4.13Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.51Å; I76-T215 HydrophobicContact CG1-CG2 4.09Å
77I91Very high89.2Confident33 Ų3339.5 Ų39.517%0.16922%0.22CC..Hα-helixtrans-67.1-42.7178.3-63.2165000110.4I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.4Å; I50-I77 HydrophobicContact CD1-CD1 4.04Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.33Å; V73-I77 WeakPolarHBondContact O-CG1 3.45Å; V73-I77 PolarHBondContact O-N 2.99Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.32Å; I77-T81 HydrophobicContact CG2-CG2 4.25Å; I77-T81 WeakPolarHBondContact O-CB 3Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.5Å; I77-T81 PolarHBondContact O-N 2.8Å; I77-T81 PolarHBondContact O-OG1 2.9Å
78F90.4Very high89.3Confident49 Ų4939.2 Ų39.222%0.21521%0.214CC..Hα-helixtrans-62.7-49178.6179.6-102.2000112.3I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.31Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.3Å; S74-F78 PolarHBondContact O-N 3.36Å; L75-F78 PolarHBondContact O-N 3.09Å; F78-T81 PolarHBondContact O-OG1 3.09Å; F78-T81 VanDerWaalsContact O-OG1 3.1Å; F78-T82 HydrophobicContact CD2-CG2 4.32Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.93Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.45Å; F78-T82 WeakPolarHBondContact O-CG2 3.45Å; F78-T82 PolarHBondContact O-N 3.37Å; F78-T82 PolarHBondContact O-OG1 2.98Å; F78-M100 HydrophobicContact CE1-CE 3.88Å; F78-M100 HydrophobicContact CZ-CE 3.88Å; F78-M104 HydrophobicContact CD1-SD 3.93Å; F78-M104 HydrophobicContact CE1-CE 4.4Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; F78-M104 VanDerWaalsContact CE1-SD 3.6Å
79I90.4Very high89.1Confident0 Ų042 Ų420%024%0.239CC..Hα-helixtrans-67.9-42-179.5-60169.1000110.6L75 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.15Å; L75-I79 HydrophobicContact CG-CD1 3.93Å; L75-I79 WeakPolarHBondContact O-CG1 3.36Å; L75-I79 PolarHBondContact O-N 3.08Å; I79-T82 WeakPolarHBondContact CA-OG1 3.46Å; I79-T82 PolarHBondContact O-OG1 3.11Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.06Å; I79-N83 WeakPolarHBondContact O-CB 3.48Å; I79-N83 PolarHBondContact O-N 3.26Å; I79-N83 PolarHBondContact O-ND2 3.22Å; I79-N83 PolarHBondContact O-OD1 2.92Å; I79-L160 HydrophobicContact CG2-CD1 4.02Å; I79-L160 HydrophobicContact CG2-CD2 4.15Å; I79-A211 HydrophobicContact CB-CB 4.03Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; I79-F214 HydrophobicContact CD1-CB 4.28Å; I79-F214 HydrophobicContact CD1-CD1 3.35Å; I79-F214 HydrophobicContact CD1-CD2 4.36Å; I79-F214 HydrophobicContact CD1-CE1 3.68Å; I79-F214 HydrophobicContact CD1-CG 3.75Å; I79-F214 HydrophobicContact CD1-CZ 4.33Å
80A90.1Very high88.8Confident30 Ų3050.3 Ų50.325%0.24827%0.274CS..Hα-helixtrans-63.7-44.3178.700000112I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.22Å; I76-A80 PolarHBondContact O-N 3.35Å; A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.36Å; A80-L84 PolarHBondContact O-N 2.91Å; A80-A211 HydrophobicContact CB-CB 3.93Å
81T90.6Very high88.5Confident34 Ų3445 Ų4521%0.20925%0.249CC..Hα-helixtrans-68.8-43.6-179.951.80000112.1P27 I77 F78 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.2Å; I77-T81 HydrophobicContact CG2-CG2 4.25Å; I77-T81 WeakPolarHBondContact O-CB 3Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.5Å; I77-T81 PolarHBondContact O-N 2.8Å; I77-T81 PolarHBondContact O-OG1 2.9Å; F78-T81 PolarHBondContact O-OG1 3.09Å; F78-T81 VanDerWaalsContact O-OG1 3.1Å; T81-L84 PolarHBondContact O-N 3.46Å; T81-L85 WeakPolarHBondContact O-CB 3.28Å; T81-L85 PolarHBondContact O-N 2.98Å
82T90.3Very high88.1Confident4 Ų444 Ų443%0.02524%0.243CC..Hα-helixtrans-61.6-43.5176.347.40000112.6P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.19Å; P27-T82 HydrophobicContact CG-CG2 3.42Å; P27-T82 VanDerWaalsContact CG-CG2 3.42Å; F78-T82 HydrophobicContact CD2-CG2 4.32Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.93Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.45Å; F78-T82 WeakPolarHBondContact O-CG2 3.45Å; F78-T82 PolarHBondContact O-N 3.37Å; F78-T82 PolarHBondContact O-OG1 2.98Å; I79-T82 WeakPolarHBondContact CA-OG1 3.46Å; I79-T82 PolarHBondContact O-OG1 3.11Å; T82-G86 PolarHBondContact O-N 3.24Å; T82-G86 VanDerWaalsContact O-N 3.08Å
83N90.4Very high87.7Confident2 Ų244.1 Ų44.11%0.01124%0.244CC..Hα-helixtrans-67.5-43.3178.6-66.9-12.3000111.9I79 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.06Å; I79-N83 WeakPolarHBondContact O-CB 3.48Å; I79-N83 PolarHBondContact O-N 3.26Å; I79-N83 PolarHBondContact O-ND2 3.22Å; I79-N83 PolarHBondContact O-OD1 2.92Å; N83-G86 WeakPolarHBondContact O-CA 3.49Å; N83-G86 PolarHBondContact O-N 3.37Å; N83-G86 VanDerWaalsContact O-N 3.15Å; N83-L87 PolarHBondContact O-N 3.27Å; N83-T95 WeakPolarHBondContact OD1-CB 3.49Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.29Å; N83-T95 PolarHBondContact OD1-OG1 3.41Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.14Å; N83-I164 HydrophobicContact CB-CD1 4.3Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.2Å; N83-A207 HydrophobicContact CB-CB 3.93Å; N83-A207 PolarHBondContact ND2-O 3.31Å
84L89.1Confident87.3Confident98 Ų9843.8 Ų43.851%0.51324%0.242SC..Hα-helixtrans-65.8-42.4179.7-163.787.3000111.5A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.36Å; A80-L84 PolarHBondContact O-N 2.91Å; T81-L84 PolarHBondContact O-N 3.46Å; L84-G86 PolarHBondContact O-N 3.34Å; L84-L87 PolarHBondContact O-N 3.11Å; L84-I204 HydrophobicContact CD1-CG2 4.22Å
85L89.1Confident87Confident42 Ų4240.6 Ų40.622%0.2222%0.22CC..Hα-helixtrans-60.6-32.7174.9-142.285.5000111.5F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.4Å; F26-L85 HydrophobicContact CD1-CD2 3.42Å; F26-L85 VanDerWaalsContact CD1-CD2 3.42Å; F26-L85 HydrophobicContact CE1-CD1 4.23Å; F26-L85 HydrophobicContact CE1-CD2 3.84Å; F26-L85 HydrophobicContact CG-CD2 4.45Å; L30-L85 HydrophobicContact CD1-CD1 3.38Å; T81-L85 WeakPolarHBondContact O-CB 3.28Å; T81-L85 PolarHBondContact O-N 2.98Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 2.96Å; L85-L88 HydrophobicContact CD1-CD1 4.41Å; L85-L88 HydrophobicContact CG-CD1 4.12Å; L85-L88 VanDerWaalsContact O-CB 3.27Å; L85-L88 WeakPolarHBondContact O-CB 3.43Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.39Å; L85-L88 PolarHBondContact O-N 3.04Å; L85-S91 PolarHBondContact O-OG 3.46Å; L85-S91 VanDerWaalsContact O-OG 3.05Å
86G85.1Confident86.7Confident2 Ų240.3 Ų40.32%0.02122%0.219CC..Hα-helixtrans-61.9-31.4177.900000116.7T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.24Å; T82-G86 VanDerWaalsContact O-N 3.08Å; N83-G86 WeakPolarHBondContact O-CA 3.49Å; N83-G86 PolarHBondContact O-N 3.37Å; N83-G86 VanDerWaalsContact O-N 3.15Å; L84-G86 PolarHBondContact O-N 3.34Å; G86-L88 PolarHBondContact O-N 2.92Å; G86-S91 VanDerWaalsContact C-OG 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.45Å; G86-S91 PolarHBondContact O-OG 3.47Å; G86-H168 PolarHBondContact O-CE1 3.07Å; G86-H168 PolarHBondContact O-NE2 2.86Å
87L86.3Confident86.6Confident38 Ų3842.7 Ų42.720%0.19923%0.23CC..THydrogen-bonded Turntrans-75.6-5.7179.3-61175.2000112.4N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.27Å; L84-L87 PolarHBondContact O-N 3.11Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 2.96Å; L87-M171 HydrophobicContact CD2-CE 3.98Å; L87-E203 HydrophobicContact CD1-CG 4.41Å; L87-E203 HydrophobicContact CD2-CB 4.23Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; L87-A207 HydrophobicContact CD1-CB 4.09Å
88L86.9Confident86.4Confident95 Ų9544.6 Ų44.650%0.49724%0.24SC..SBendtrans-67.2143.4173.9-65.3174.2000110.7L85 G86 H90 S91L85-L88 HydrophobicContact CD1-CD1 4.41Å; L85-L88 HydrophobicContact CG-CD1 4.12Å; L85-L88 VanDerWaalsContact O-CB 3.27Å; L85-L88 WeakPolarHBondContact O-CB 3.43Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.39Å; L85-L88 PolarHBondContact O-N 3.04Å; G86-L88 PolarHBondContact O-N 2.92Å; L88-H90 PolarHBondContact O-N 3.2Å; L88-S91 WeakPolarHBondContact O-CB 3.25Å; L88-S91 PolarHBondContact O-N 3.33Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 3.08Å
89P81.3Confident86.2Confident111 Ų11146.2 Ų46.272%0.72126%0.257SS*.THydrogen-bonded Turntrans-58.7134.7-179.424.8-33.9000110.8S91P89-S91 PolarHBondContact O-N 2.94Å; P89-S91 VanDerWaalsContact O-N 3.11Å
90H81.3Confident86Confident204 Ų20448.2 Ų48.294%0.94427%0.267SS*.THydrogen-bonded Turntrans57.516.9-178.9-56.3-63.6000115.9L88L88-H90 PolarHBondContact O-N 3.2Å
91S83.3Confident85.9Confident35 Ų3546.8 Ų46.825%0.24526%0.256CS..  trans-81.6142.8172.1730000111.2L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.46Å; L85-S91 VanDerWaalsContact O-OG 3.05Å; G86-S91 VanDerWaalsContact C-OG 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.45Å; G86-S91 PolarHBondContact O-OG 3.47Å; L88-S91 WeakPolarHBondContact O-CB 3.25Å; L88-S91 PolarHBondContact O-N 3.33Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 3.08Å; P89-S91 PolarHBondContact O-N 2.94Å; P89-S91 VanDerWaalsContact O-N 3.11Å
92F81.1Confident85.7Confident28 Ų2847.1 Ų47.112%0.12326%0.256CS..  trans-89.3123.4172171.6-94.7000109.3S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.38Å; P12-F92 HydrophobicContact CG-CB 4.38Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CD2 4.48Å; P12-F92 HydrophobicContact CG-CG 4.07Å; A20-F92 HydrophobicContact CB-CE1 4.36Å; I23-F92 HydrophobicContact CD1-CB 4.09Å; I23-F92 HydrophobicContact CD1-CD1 3.92Å; I23-F92 HydrophobicContact CD1-CG 4.38Å; I23-F92 HydrophobicContact CG2-CD1 4.42Å; I23-F92 WeakPolarHBondContact CG2-O 3.3Å; F92-P94 HydrophobicContact CE1-CB 4.39Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; F92-Q97 HydrophobicContact CZ-CG 4.21Å
93T82.9Confident85.6Confident4 Ų450 Ų503%0.02528%0.28CS..  trans-92.1110.217828.40000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 3.3Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 3.33Å; T93-T96 PolarHBondContact O-OG1 2.74Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.43Å; T93-I164 HydrophobicContact CG2-CG2 4.26Å
94P81.3Confident85.3Confident9 Ų951.1 Ų51.16%0.05829%0.285CS..G310 helixtrans-64-22.917726-33.4000112.7I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.24Å; I24-P94 HydrophobicContact CG1-CB 3.66Å; I24-P94 HydrophobicContact CG1-CG 4.02Å; F92-P94 HydrophobicContact CE1-CB 4.39Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.4Å; P94-Q97 PolarHBondContact O-N 3.31Å; P94-M100 WeakPolarHBondContact O-CB 3.47Å
95T84.6Confident85.2Confident1 Ų146.6 Ų46.61%0.00626%0.262CS..G310 helixtrans-76.2-7.2179.351.40000114.5N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.49Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.29Å; N83-T95 PolarHBondContact OD1-OG1 3.41Å; T93-T95 PolarHBondContact O-N 3.3Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 3.26Å; T95-N101 PolarHBondContact O-OD1 2.89Å; T95-L160 HydrophobicContact CG2-CD2 4.48Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.26Å
96T85.1Confident85.1Confident10 Ų1048.5 Ų48.56%0.06127%0.272CS..G310 helixtrans-74.7-27.2170.256.80000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 3.33Å; T93-T96 PolarHBondContact O-OG1 2.74Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.43Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.4Å; T96-L98 PolarHBondContact O-N 3.34Å; T96-T161 WeakPolarHBondContact O-CG2 3.41Å; T96-I164 HydrophobicContact CG2-CB 4.36Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å
97Q88.1Confident85.3Confident68 Ų6852.2 Ų52.232%0.31830%0.295SS..SBendtrans-77.7120.3178.5-66.2-64.1-31.500109.6F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 2.81Å; F92-Q97 HydrophobicContact CZ-CG 4.21Å; P94-Q97 PolarHBondContact O-N 3.31Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 2.69Å; Q97-M100 PolarHBondContact O-N 3.38Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; Q97-N101 PolarHBondContact O-N 3.37Å
98L85.9Confident85.3Confident72 Ų7251.3 Ų51.338%0.37729%0.29SS..Hα-helixtrans-57.7-32.9178.4-176.664.1000112.2T96 M100 N101 L102 A157 V158 T161T96-L98 PolarHBondContact O-N 3.34Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.17Å; L98-N101 PolarHBondContact O-N 3.04Å; L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.4Å; L98-L102 PolarHBondContact O-N 3.49Å; L98-A157 HydrophobicContact CD1-CB 4.36Å; L98-V158 HydrophobicContact CD1-CG2 3.91Å; L98-T161 VanDerWaalsContact CA-CG2 3.47Å; L98-T161 HydrophobicContact CB-CG2 4.07Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å
99S87Confident85.3Confident84 Ų8448.7 Ų48.759%0.58727%0.274SS*.Hα-helixtrans-57-44176.756.10000112.6Q97 A103Q97-S99 PolarHBondContact O-N 2.69Å; S99-A103 WeakPolarHBondContact O-CB 3.13Å; S99-A103 PolarHBondContact O-N 3.19Å
100M86.8Confident85.4Confident42 Ų4244.7 Ų44.721%0.20725%0.25CS..Hα-helixtrans-67.4-46.4-178.8-176.255.8-172.400111.2I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.45Å; I24-M100 HydrophobicContact CG2-CE 4.3Å; F78-M100 HydrophobicContact CE1-CE 3.88Å; F78-M100 HydrophobicContact CZ-CE 3.88Å; P94-M100 WeakPolarHBondContact O-CB 3.47Å; Q97-M100 PolarHBondContact O-N 3.38Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.17Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 2.93Å; M100-A103 PolarHBondContact O-N 3.41Å; M100-M104 HydrophobicContact CE-CE 3.95Å; M100-M104 HydrophobicContact CE-CG 4.33Å; M100-M104 HydrophobicContact CE-SD 3.99Å; M100-M104 HydrophobicContact CG-CE 3.86Å; M100-M104 PolarHBondContact O-N 3.4Å; M100-M104 VanDerWaalsContact O-N 3.08Å; M100-M104 HydrophobicContact SD-CE 4.48Å
101N87.6Confident85.6Confident0 Ų036 Ų360%022%0.215CC..Hα-helixtrans-67.6-37.9-179-65.9-3000111.9T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.26Å; T95-N101 PolarHBondContact O-OD1 2.89Å; Q97-N101 PolarHBondContact O-N 3.37Å; L98-N101 PolarHBondContact O-N 3.04Å; N101-M104 PolarHBondContact O-N 3.35Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.33Å; N101-A105 PolarHBondContact O-N 3.31Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 3.42Å; N101-L160 HydrophobicContact CB-CD2 4.34Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 3.33Å; N101-L160 VanDerWaalsContact ND2-CD2 3.33Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.11Å; N101-L160 VanDerWaalsContact ND2-CG 3.28Å; N101-L160 WeakPolarHBondContact ND2-CG 3.37Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.28Å; N101-T161 HydrophobicContact CB-CG2 4.26Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.2Å; N101-T161 PolarHBondContact ND2-N 3.36Å
102L85.7Confident85.6Confident41 Ų4134.4 Ų34.422%0.21521%0.205CC..Hα-helixtrans-70-38.5177.1-162.270000111.4L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.4Å; L98-L102 PolarHBondContact O-N 3.49Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 2.93Å; L102-M104 PolarHBondContact O-N 3.13Å; L102-A105 PolarHBondContact O-N 2.97Å; L102-I106 HydrophobicContact CD1-CD1 3.88Å; L102-I106 HydrophobicContact CD1-CG1 3.99Å; L102-I106 HydrophobicContact CD2-CD1 3.97Å; L102-I106 HydrophobicContact CG-CD1 3.52Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.32Å; L102-I106 PolarHBondContact O-N 3.08Å; L102-M154 HydrophobicContact CD1-CE 4.41Å; L102-M154 HydrophobicContact CD1-CG 4.35Å; L102-M154 HydrophobicContact CD2-CE 4.34Å; L102-A157 HydrophobicContact CB-CB 4.45Å; L102-A157 HydrophobicContact CD1-CB 4.08Å
103A88.4Confident85.6Confident64 Ų6433.8 Ų33.853%0.52920%0.203SC..Hα-helixtrans-62.9-29.2173.600000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.13Å; S99-A103 PolarHBondContact O-N 3.19Å; M100-A103 PolarHBondContact O-N 3.41Å; A103-P107 WeakPolarHBondContact O-CD 3.5Å; A103-P107 WeakPolarHBondContact O-CG 3.16Å
104M85.3Confident85.6Confident26 Ų2638.2 Ų38.213%0.12823%0.226CC..Hα-helixtrans-79.9-45.1171.1-70.9-175.7-78.100112.4F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.93Å; F78-M104 HydrophobicContact CE1-CE 4.4Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; F78-M104 VanDerWaalsContact CE1-SD 3.6Å; M100-M104 HydrophobicContact CE-CE 3.95Å; M100-M104 HydrophobicContact CE-CG 4.33Å; M100-M104 HydrophobicContact CE-SD 3.99Å; M100-M104 HydrophobicContact CG-CE 3.86Å; M100-M104 PolarHBondContact O-N 3.4Å; M100-M104 VanDerWaalsContact O-N 3.08Å; M100-M104 HydrophobicContact SD-CE 4.48Å; N101-M104 PolarHBondContact O-N 3.35Å; L102-M104 PolarHBondContact O-N 3.13Å; M104-L108 WeakPolarHBondContact O-CD1 3.42Å; M104-L108 VanDerWaalsContact O-CG 3.25Å; M104-L108 WeakPolarHBondContact O-CG 3.38Å
105A86.3Confident85.6Confident2 Ų240.2 Ų40.22%0.01724%0.235CC..Hα-helixtrans-70.4-44.2-172.100000113.5N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.33Å; N101-A105 PolarHBondContact O-N 3.31Å; L102-A105 PolarHBondContact O-N 2.97Å; A105-L108 PolarHBondContact O-N 3.36Å; A105-W109 WeakPolarHBondContact O-CB 3.4Å; A105-W109 PolarHBondContact O-N 3.42Å; A105-A157 HydrophobicContact CB-CB 4.27Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.12Å
106I87.2Confident85.1Confident83 Ų8340.2 Ų40.243%0.42624%0.235SC..Hα-helixtrans-62.6-50.2-175-66.5176.3000111.9L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.88Å; L102-I106 HydrophobicContact CD1-CG1 3.99Å; L102-I106 HydrophobicContact CD2-CD1 3.97Å; L102-I106 HydrophobicContact CG-CD1 3.52Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.32Å; L102-I106 PolarHBondContact O-N 3.08Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 3.12Å; I106-W109 PolarHBondContact O-N 2.92Å; I106-A110 WeakPolarHBondContact O-CB 3.44Å; I106-A110 PolarHBondContact O-N 3.3Å
107P88.6Confident84.7Confident79 Ų7943.6 Ų43.651%0.51325%0.249SC..Hα-helixtrans-65-37.1-178.8-23.736.1000113.1A103 G111A103-P107 WeakPolarHBondContact O-CD 3.5Å; A103-P107 WeakPolarHBondContact O-CG 3.16Å; P107-G111 PolarHBondContact O-N 3.26Å
108L87.1Confident84.1Confident19 Ų1950.6 Ų50.610%0.09927%0.273CS..Hα-helixtrans-65.4-46.8178.1-71.2168.4000111.6M71 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 3.45Å; M71-L108 WeakPolarHBondContact SD-CD2 3.32Å; L75-L108 HydrophobicContact CD1-CD1 3.42Å; L75-L108 VanDerWaalsContact CD1-CD1 3.42Å; L75-L108 HydrophobicContact CD2-CD1 3.78Å; L75-L108 HydrophobicContact CG-CD1 4.25Å; M104-L108 WeakPolarHBondContact O-CD1 3.42Å; M104-L108 VanDerWaalsContact O-CG 3.25Å; M104-L108 WeakPolarHBondContact O-CG 3.38Å; A105-L108 PolarHBondContact O-N 3.36Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 3.12Å; L108-G111 PolarHBondContact O-N 3.49Å; L108-A112 PolarHBondContact O-N 2.89Å; L108-A112 VanDerWaalsContact O-N 3.09Å; L108-F214 HydrophobicContact CD1-CE1 4.1Å; L108-V218 HydrophobicContact CB-CG1 4.37Å
109W85.6Confident83.3Confident40 Ų4049.5 Ų49.515%0.15227%0.271CS..Hα-helixtrans-64.2-47.4175.9172.790.1000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.4Å; A105-W109 PolarHBondContact O-N 3.42Å; I106-W109 PolarHBondContact O-N 2.92Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.84Å; W109-A112 PolarHBondContact O-N 3.37Å; W109-A112 VanDerWaalsContact O-N 3.16Å; W109-V113 HydrophobicContact CD2-CG2 4.08Å; W109-V113 HydrophobicContact CH2-CG2 4.39Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.48Å; W109-V113 PolarHBondContact O-N 3.39Å; W109-L149 HydrophobicContact CH2-CD2 4.2Å; W109-L149 HydrophobicContact CZ2-CD2 3.49Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.49Å; W109-L149 HydrophobicContact CZ2-CG 3.87Å; W109-L149 VanDerWaalsContact CZ2-O 3.32Å; W109-L149 WeakPolarHBondContact CZ2-O 3.43Å; W109-L149 PolarHBondContact NE1-O 3.22Å; W109-L149 VanDerWaalsContact NE1-O 3.16Å; W109-L150 HydrophobicContact CH2-CD2 3.7Å; W109-L150 HydrophobicContact CZ2-CD2 4.2Å; W109-P153 HydrophobicContact CB-CB 3.89Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.36Å; W109-P153 HydrophobicContact CD2-CG 3.85Å; W109-P153 HydrophobicContact CE3-CG 4.41Å; W109-P153 HydrophobicContact CG-CB 3.85Å; W109-P153 HydrophobicContact CG-CG 3.8Å
110A84.9Confident82.5Confident27 Ų2750.1 Ų50.122%0.22326%0.263CS..Hα-helixtrans-60.6-40.9178.900000111I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.44Å; I106-A110 PolarHBondContact O-N 3.3Å; A110-V113 PolarHBondContact O-N 2.99Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.46Å; A110-I114 WeakPolarHBondContact O-CD1 3.29Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.25Å
111G84.9Confident81.4Confident21 Ų2153.3 Ų53.322%0.21628%0.28CS..Hα-helixtrans-59.6-45.6174.700000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.26Å; L108-G111 PolarHBondContact O-N 3.49Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.84Å; G111-M115 WeakPolarHBondContact O-CB 3.42Å; G111-M115 PolarHBondContact O-N 3.35Å
112A82.6Confident80.2Confident3 Ų362.1 Ų62.13%0.02532%0.318CS..Hα-helixtrans-63.1-46.2177.200000111.9L108 W109 M115 G116L108-A112 PolarHBondContact O-N 2.89Å; L108-A112 VanDerWaalsContact O-N 3.09Å; W109-A112 PolarHBondContact O-N 3.37Å; W109-A112 VanDerWaalsContact O-N 3.16Å; A112-M115 PolarHBondContact O-N 3.21Å; A112-G116 PolarHBondContact O-N 3.37Å
113V82Confident79.3Confident14 Ų1465 Ų659%0.08533%0.334CS..Hα-helixtrans-64.6-46.3179172.30000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.08Å; W109-V113 HydrophobicContact CH2-CG2 4.39Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.48Å; W109-V113 PolarHBondContact O-N 3.39Å; A110-V113 PolarHBondContact O-N 2.99Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 3.48Å; V113-G116 PolarHBondContact O-N 3.42Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.37Å; V113-F117 PolarHBondContact O-N 3.33Å
114I83.3Confident78.1Confident98 Ų9862.8 Ų62.850%0.50332%0.315SS..Hα-helixtrans-61.3-39.2176.9-68.4163.7000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.46Å; A110-I114 WeakPolarHBondContact O-CD1 3.29Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.25Å; I114-G116 VanDerWaalsContact C-N 3.34Å; I114-F117 PolarHBondContact O-N 3.49Å; I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.46Å; I114-R118 VanDerWaalsContact O-CG 3.32Å; I114-R118 WeakPolarHBondContact O-CG 3.39Å; I114-R118 PolarHBondContact O-N 2.96Å
115M80.2Confident77Confident51 Ų5166 Ų6625%0.25133%0.332SS..Hα-helixtrans-65.5-37.7176.2-167.1174.5-165.800112.1W68 G111 A112 V113 R118 S119 L222W68-M115 HydrophobicContact CZ2-SD 4.04Å; W68-M115 PolarHBondContact NE1-SD 2.68Å; G111-M115 WeakPolarHBondContact O-CB 3.42Å; G111-M115 PolarHBondContact O-N 3.35Å; A112-M115 PolarHBondContact O-N 3.21Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 3.48Å; M115-R118 PolarHBondContact O-N 3.04Å; M115-S119 WeakPolarHBondContact O-CB 3.37Å; M115-S119 PolarHBondContact O-N 3.17Å; M115-S119 PolarHBondContact O-OG 2.84Å; M115-S119 VanDerWaalsContact O-OG 3.05Å; M115-L222 HydrophobicContact SD-CD1 4.09Å
116G74.7Confident75.8Confident1 Ų168.3 Ų68.31%0.0135%0.352CS..Hα-helixtrans-61.9-50.6173.400000112.6A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.37Å; V113-G116 PolarHBondContact O-N 3.42Å; V113-G116 VanDerWaalsContact O-N 3.14Å; I114-G116 VanDerWaalsContact C-N 3.34Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.45Å; G116-S119 PolarHBondContact O-N 3.13Å; G116-S119 PolarHBondContact O-OG 2.95Å; G116-K120 CarbonylContact O-C 3.59Å; G116-K120 PolarHBondContact O-N 3.49Å; G116-N225 VanDerWaalsContact CA-O 3.22Å; G116-N225 WeakPolarHBondContact CA-O 3.46Å
117F77.1Confident74.6Confident81 Ų8169.5 Ų69.536%0.35536%0.356SS..Hα-helixtrans-59.6-41.2175.3-77.4-64.4000112.1V113 I114 I121 A124 L125V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.37Å; V113-F117 PolarHBondContact O-N 3.33Å; I114-F117 PolarHBondContact O-N 3.49Å; F117-I121 WeakPolarHBondContact O-CG1 3.33Å; F117-A124 HydrophobicContact CD1-CB 4.35Å; F117-A124 HydrophobicContact CE1-CB 4.45Å; F117-L125 HydrophobicContact CD1-CD1 4.17Å; F117-L125 HydrophobicContact CE1-CD1 3.74Å
118R76Confident73.3Confident215 Ų21567.5 Ų67.581%0.81134%0.339SS*.Hα-helixtrans-69.9-34179.3-73.9-178.669.8-168.12.1113.7I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.46Å; I114-R118 VanDerWaalsContact O-CG 3.32Å; I114-R118 WeakPolarHBondContact O-CG 3.39Å; I114-R118 PolarHBondContact O-N 2.96Å; M115-R118 PolarHBondContact O-N 3.04Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.45Å
119S68.5Low72.1Confident48 Ų4869.7 Ų69.734%0.33635%0.35SS..Hα-helixtrans-88.6-40.4-17370.40000113.4M115 G116M115-S119 WeakPolarHBondContact O-CB 3.37Å; M115-S119 PolarHBondContact O-N 3.17Å; M115-S119 PolarHBondContact O-OG 2.84Å; M115-S119 VanDerWaalsContact O-OG 3.05Å; G116-S119 PolarHBondContact O-N 3.13Å; G116-S119 PolarHBondContact O-OG 2.95Å
120K69.9Low70.9Confident97 Ų9771 Ų7142%0.42236%0.364SS..  trans-147.272.3-176.6-68176.2-179.5159.70111.4G116 K122 N123 A124 T226G116-K120 CarbonylContact O-C 3.59Å; G116-K120 PolarHBondContact O-N 3.49Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.28Å; K120-N123 HydrophobicContact CB-CB 3.93Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 3.14Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.41Å; K120-A124 PolarHBondContact O-N 2.89Å; K120-T226 WeakPolarHBondContact CE-O 3.38Å; K120-T226 PolarHBondContact NZ-O 3.4Å; K120-T226 PolarHBondContact NZ-OXT 2.92Å
121I64.6Low69.6Low109 Ų10979.4 Ų79.456%0.55940%0.398SS*.Hα-helixtrans-47.2-48.8176.9-59.7171.5000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.33Å; I121-N123 PolarHBondContact O-N 3.46Å; I121-L125 HydrophobicContact CG2-CD1 3.9Å; I121-L125 WeakPolarHBondContact O-CD1 3.28Å; I121-L125 PolarHBondContact O-N 2.95Å
122K62.3Low68.5Low186 Ų18682.4 Ų82.481%0.80943%0.429SS*.Hα-helixtrans-66.3-37.3-176.1-64.6-174.9-179.8-176.80113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.28Å; K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.28Å; K122-A126 PolarHBondContact O-N 3.2Å
123N65.9Low67.8Low102 Ų10284 Ų8455%0.54544%0.439SS..Hα-helixtrans-79.3-36.2-178.1-14860.6000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.93Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 3.14Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 3.46Å; N123-A126 PolarHBondContact O-N 3.22Å; N123-H127 PolarHBondContact O-N 3.28Å
124A62.6Low67.3Low17 Ų1787 Ų8714%0.1446%0.458CS..Hα-helixtrans-62.8-42.4172.700000111.6F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.35Å; F117-A124 HydrophobicContact CE1-CB 4.45Å; K120-A124 WeakPolarHBondContact O-CB 3.41Å; K120-A124 PolarHBondContact O-N 2.89Å; A124-H127 PolarHBondContact O-N 3.28Å
125L62.5Low66.9Low92 Ų9288 Ų8848%0.48247%0.47SS..Hα-helixtrans-70.7-32.4174.1-89.179.9000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.17Å; F117-L125 HydrophobicContact CE1-CD1 3.74Å; I121-L125 HydrophobicContact CG2-CD1 3.9Å; I121-L125 WeakPolarHBondContact O-CD1 3.28Å; I121-L125 PolarHBondContact O-N 2.95Å; L125-H127 VanDerWaalsContact C-N 3.3Å; L125-H127 PolarHBondContact O-N 3.36Å; L125-F128 PolarHBondContact O-N 3.31Å
126A61.3Low66.9Low52 Ų5290.6 Ų90.643%0.4349%0.49SS..Hα-helixtrans-68.3-28.3177.100000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.28Å; K122-A126 PolarHBondContact O-N 3.2Å; N123-A126 PolarHBondContact O-N 3.22Å; A126-F128 PolarHBondContact O-N 3.1Å; A126-L129 PolarHBondContact O-N 3.03Å
127H62.8Low67.1Low108 Ų10895.5 Ų95.550%0.552%0.515SS..THydrogen-bonded Turntrans-64.4-22.1175.2-162.9-65.5000112.8N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.28Å; A124-H127 PolarHBondContact O-N 3.28Å; L125-H127 VanDerWaalsContact C-N 3.3Å; L125-H127 PolarHBondContact O-N 3.36Å; H127-L129 PolarHBondContact O-N 3.34Å
128F61.6Low67.2Low36 Ų3693.8 Ų93.816%0.15851%0.51CS..THydrogen-bonded Turntrans-68.8-14.4173.6-67.4-57.2000113.4L125 A126 L141 E145 T146L125-F128 PolarHBondContact O-N 3.31Å; A126-F128 PolarHBondContact O-N 3.1Å; F128-L141 WeakPolarHBondContact O-CD2 3.43Å; F128-E145 HydrophobicContact CD1-CB 4.22Å; F128-E145 HydrophobicContact CD1-CG 3.82Å; F128-T146 HydrophobicContact CD1-CG2 4.23Å; F128-T146 HydrophobicContact CE1-CG2 4.02Å; F128-T146 HydrophobicContact CZ-CG2 4.48Å
129L60.7Low67.3Low66 Ų6687.7 Ų87.735%0.34650%0.498SS..SBendtrans-121.7114.3175.8-93.680000111.1A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3.03Å; H127-L129 PolarHBondContact O-N 3.34Å; L129-Q131 PolarHBondContact O-N 2.7Å; L129-I138 HydrophobicContact CD1-CG2 4.14Å; L129-I138 HydrophobicContact CD2-CD1 4.21Å; L129-I138 HydrophobicContact CD2-CG1 4.32Å; L129-I138 HydrophobicContact CD2-CG2 3.71Å; L129-I138 HydrophobicContact CG-CG2 4.11Å; L129-V142 HydrophobicContact CD1-CG2 3.38Å; L129-V142 HydrophobicContact CG-CG2 4.45Å
130P59.5Low67.9Low67 Ų6790.8 Ų90.844%0.43551%0.509SS..  trans-62.5135.8164.213.1-10.5000109.6G132 T133 L141P130-G132 PolarHBondContact O-N 3.07Å; P130-T133 HydrophobicContact CB-CG2 4.34Å; P130-T133 HydrophobicContact CG-CG2 3.79Å; P130-T133 WeakPolarHBondContact O-CG2 3.21Å; P130-T133 PolarHBondContact O-OG1 2.74Å; P130-L141 HydrophobicContact CG-CD1 3.8Å; P130-L141 HydrophobicContact CG-CD2 3.89Å
131Q58.8Low68.6Low203 Ų20388.4 Ų88.495%0.94950%0.5SS*.THydrogen-bonded Turntrans-63.5130.3-179.9-62.4-167.2-0.700110.2L129L129-Q131 PolarHBondContact O-N 2.7Å
132G60.9Low69.3Low84 Ų8485.3 Ų85.387%0.86649%0.486SS*.THydrogen-bonded Turntrans95.114.3177.500000115.8P130P130-G132 PolarHBondContact O-N 3.07Å
133T69.1Low70.4Confident37 Ų3780.8 Ų80.823%0.22747%0.47CS..  trans-75.3134.9175.3450000112.1P130 L141P130-T133 HydrophobicContact CB-CG2 4.34Å; P130-T133 HydrophobicContact CG-CG2 3.79Å; P130-T133 WeakPolarHBondContact O-CG2 3.21Å; P130-T133 PolarHBondContact O-OG1 2.74Å; T133-L141 HydrophobicContact CG2-CD1 3.94Å
134P71.2Confident71.3Confident76 Ų7680.4 Ų80.449%0.49447%0.467SS..  trans-67.5140.217829.4-35.9000110.7P136 L137P134-P136 VanDerWaalsContact C-N 3.3Å; P134-P136 VanDerWaalsContact O-CD 3.28Å; P134-P136 WeakPolarHBondContact O-CD 2.98Å; P134-L137 HydrophobicContact CG-CB 4.42Å; P134-L137 HydrophobicContact CG-CD1 3.74Å; P134-L137 HydrophobicContact CG-CG 4.22Å; P134-L137 PolarHBondContact O-N 3.22Å
135T74.6Confident72.2Confident120 Ų12082.3 Ų82.374%0.73647%0.473SS*.THydrogen-bonded Turntrans-50.3-30-171.950.80000117I138T135-I138 HydrophobicContact CG2-CD1 4.46Å
136P81Confident73.1Confident105 Ų10580.5 Ų80.568%0.68247%0.466SS*.THydrogen-bonded Turntrans-74.9-27.6178.5-13.528.9000114P134 P139P134-P136 VanDerWaalsContact C-N 3.3Å; P134-P136 VanDerWaalsContact O-CD 3.28Å; P134-P136 WeakPolarHBondContact O-CD 2.98Å; P136-P139 WeakPolarHBondContact O-CD 3.36Å
137L78.8Confident74.2Confident104 Ų10482 Ų8255%0.54547%0.466SS..THydrogen-bonded Turntrans-88.5-11.8-173.4-66.2176.6000113.1P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.42Å; P134-L137 HydrophobicContact CG-CD1 3.74Å; P134-L137 HydrophobicContact CG-CG 4.22Å; P134-L137 PolarHBondContact O-N 3.22Å; L137-M140 PolarHBondContact O-N 2.92Å; L137-L141 PolarHBondContact O-N 3.49Å; L137-L141 VanDerWaalsContact O-N 3.08Å
138I78.1Confident75.1Confident46 Ų4679.2 Ų79.224%0.23646%0.458CS..Hα-helixtrans-55.1-48.9-176.5-63.5176.7000112.4L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.14Å; L129-I138 HydrophobicContact CD2-CD1 4.21Å; L129-I138 HydrophobicContact CD2-CG1 4.32Å; L129-I138 HydrophobicContact CD2-CG2 3.71Å; L129-I138 HydrophobicContact CG-CG2 4.11Å; T135-I138 HydrophobicContact CG2-CD1 4.46Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 2.87Å; I138-L141 PolarHBondContact O-N 3.01Å; I138-V142 HydrophobicContact CG2-CG2 4.42Å; I138-V142 WeakPolarHBondContact O-CG2 3.3Å; I138-V142 PolarHBondContact O-N 3.01Å; I138-V142 VanDerWaalsContact O-N 3.1Å
139P78.4Confident76.1Confident86 Ų8679.6 Ų79.656%0.55846%0.462SS*.Hα-helixtrans-64.2-37.9-176.2-20.733.6000112.7P136 I143P136-P139 WeakPolarHBondContact O-CD 3.36Å; P139-I143 WeakPolarHBondContact O-CG1 3.03Å; P139-I143 PolarHBondContact O-N 3Å
140M82.1Confident77.1Confident114 Ų11481.6 Ų81.656%0.56247%0.472SS*.Hα-helixtrans-68.7-41.5178.8-173.964.3-170.200111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 2.92Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 2.87Å; M140-I143 PolarHBondContact O-N 2.77Å; M140-I144 HydrophobicContact CE-CD1 3.92Å; M140-I144 HydrophobicContact CE-CG1 4.13Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.43Å; M140-I144 PolarHBondContact O-N 3.3Å; M140-I144 VanDerWaalsContact O-N 3.11Å
141L83.8Confident78.3Confident47 Ų4783.1 Ų83.125%0.24648%0.476CS..Hα-helixtrans-67.1-40.7-178.2-167.9149.4000111.9F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.43Å; P130-L141 HydrophobicContact CG-CD1 3.8Å; P130-L141 HydrophobicContact CG-CD2 3.89Å; T133-L141 HydrophobicContact CG2-CD1 3.94Å; L137-L141 PolarHBondContact O-N 3.49Å; L137-L141 VanDerWaalsContact O-N 3.08Å; I138-L141 PolarHBondContact O-N 3.01Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3Å; L141-I144 PolarHBondContact O-N 2.93Å; L141-E145 WeakPolarHBondContact O-CB 3.35Å; L141-E145 PolarHBondContact O-N 3.43Å
142V79.9Confident79.4Confident44 Ų4476.8 Ų76.827%0.26745%0.446SS..Hα-helixtrans-59-43175.3173.90000111L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.38Å; L129-V142 HydrophobicContact CG-CG2 4.45Å; I138-V142 HydrophobicContact CG2-CG2 4.42Å; I138-V142 WeakPolarHBondContact O-CG2 3.3Å; I138-V142 PolarHBondContact O-N 3.01Å; I138-V142 VanDerWaalsContact O-N 3.1Å; V142-I144 PolarHBondContact O-N 3.02Å; V142-E145 PolarHBondContact O-N 3.27Å; V142-T146 HydrophobicContact CG1-CG2 4.33Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.12Å; V142-T146 PolarHBondContact O-N 2.98Å; V142-T146 PolarHBondContact O-OG1 2.9Å
143I83.8Confident80.2Confident90 Ų9073.3 Ų73.346%0.46241%0.408SS..Hα-helixtrans-60.9-47.4177.1-66.6166.7000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.03Å; P139-I143 PolarHBondContact O-N 3Å; M140-I143 PolarHBondContact O-N 2.77Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3Å; I143-E145 PolarHBondContact O-N 2.94Å; I143-T146 PolarHBondContact O-N 3.32Å; I143-T146 PolarHBondContact O-OG1 2.97Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.28Å; I143-I147 PolarHBondContact O-N 3.37Å
144I85Confident80.8Confident94 Ų9476.2 Ų76.248%0.48242%0.42SS..Hα-helixtrans-62.2-43.4179.5-64.5165.9000111.2M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 3.92Å; M140-I144 HydrophobicContact CE-CG1 4.13Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.43Å; M140-I144 PolarHBondContact O-N 3.3Å; M140-I144 VanDerWaalsContact O-N 3.11Å; L141-I144 PolarHBondContact O-N 2.93Å; V142-I144 PolarHBondContact O-N 3.02Å; I144-I147 PolarHBondContact O-N 3.09Å; I144-S148 WeakPolarHBondContact O-CB 3.39Å; I144-S148 PolarHBondContact O-N 2.94Å
145E82.8Confident81.5Confident58 Ų5874.5 Ų74.527%0.27141%0.413SS..Hα-helixtrans-67-39.9-179.2-166.761.7-159.500111.6F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.22Å; F128-E145 HydrophobicContact CD1-CG 3.82Å; L141-E145 WeakPolarHBondContact O-CB 3.35Å; L141-E145 PolarHBondContact O-N 3.43Å; V142-E145 PolarHBondContact O-N 3.27Å; I143-E145 PolarHBondContact O-N 2.94Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 2.68Å; E145-S148 WeakPolarHBondContact O-CB 3.34Å; E145-S148 PolarHBondContact O-N 3.08Å; E145-L149 WeakPolarHBondContact O-CB 3.21Å; E145-L149 PolarHBondContact O-N 3.43Å
146T80.1Confident81.7Confident54 Ų5469.1 Ų69.133%0.33138%0.379SS..Hα-helixtrans-62.9-38.117459.10000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.23Å; F128-T146 HydrophobicContact CE1-CG2 4.02Å; F128-T146 HydrophobicContact CZ-CG2 4.48Å; V142-T146 HydrophobicContact CG1-CG2 4.33Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.12Å; V142-T146 PolarHBondContact O-N 2.98Å; V142-T146 PolarHBondContact O-OG1 2.9Å; I143-T146 PolarHBondContact O-N 3.32Å; I143-T146 PolarHBondContact O-OG1 2.97Å; T146-L150 WeakPolarHBondContact O-CG 3.22Å; T146-L150 PolarHBondContact O-N 3.47Å
147I84.8Confident81.8Confident83 Ų8364.1 Ų64.143%0.42635%0.347SS..Hα-helixtrans-68.2-43.4174.9-67.5167000110.6I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.28Å; I143-I147 PolarHBondContact O-N 3.37Å; I144-I147 PolarHBondContact O-N 3.09Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 2.68Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.46Å; I147-L150 PolarHBondContact O-N 3.46Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.38Å; I147-I151 PolarHBondContact O-N 3.3Å
148S82.7Confident82.1Confident50 Ų5062.3 Ų62.335%0.3534%0.34SS..Hα-helixtrans-57.5-46.4177.8-175.90000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.39Å; I144-S148 PolarHBondContact O-N 2.94Å; E145-S148 WeakPolarHBondContact O-CB 3.34Å; E145-S148 PolarHBondContact O-N 3.08Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.43Å; S148-I151 PolarHBondContact O-N 3.46Å; S148-Q152 PolarHBondContact O-N 3.41Å; S148-Q152 VanDerWaalsContact O-N 3.13Å
149L81.6Confident82.6Confident43 Ų4364.7 Ų64.723%0.22535%0.346CS..Hα-helixtrans-59.5-37.1177.3-170.9112.8000112.2W109 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.2Å; W109-L149 HydrophobicContact CZ2-CD2 3.49Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.49Å; W109-L149 HydrophobicContact CZ2-CG 3.87Å; W109-L149 VanDerWaalsContact CZ2-O 3.32Å; W109-L149 WeakPolarHBondContact CZ2-O 3.43Å; W109-L149 PolarHBondContact NE1-O 3.22Å; W109-L149 VanDerWaalsContact NE1-O 3.16Å; E145-L149 WeakPolarHBondContact O-CB 3.21Å; E145-L149 PolarHBondContact O-N 3.43Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.46Å; L149-P153 WeakPolarHBondContact O-CD 3.22Å
150L81.5Confident82.7Confident108 Ų10860.6 Ų60.657%0.56532%0.319SS*.Hα-helixtrans-78.1-35.2178.1-71.8173.4000113.6W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.7Å; W109-L150 HydrophobicContact CZ2-CD2 4.2Å; T146-L150 WeakPolarHBondContact O-CG 3.22Å; T146-L150 PolarHBondContact O-N 3.47Å; I147-L150 PolarHBondContact O-N 3.46Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.43Å; L150-P153 WeakPolarHBondContact O-CD 3.3Å; L150-P153 WeakPolarHBondContact O-CG 3.45Å
151I84.8Confident82.9Confident100 Ų10055.8 Ų55.851%0.51330%0.296SS..Hα-helixtrans-72.6-32.4-179.1-69.9173.3000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.38Å; I147-I151 PolarHBondContact O-N 3.3Å; S148-I151 PolarHBondContact O-N 3.46Å; I151-M154 CarbonylContact O-C 3.57Å; I151-M154 WeakPolarHBondContact O-CB 3.48Å; I151-M154 PolarHBondContact O-N 2.88Å; I151-M154 VanDerWaalsContact O-N 3.09Å; I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.37Å; I151-A155 PolarHBondContact O-N 3.5Å
152Q82.3Confident82.9Confident69 Ų6955.4 Ų55.432%0.32230%0.301SS..Hα-helixtrans-50.2-53.4-177.7-108.5174.6-16.100116.2S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.41Å; S148-Q152 VanDerWaalsContact O-N 3.13Å; Q152-M154 PolarHBondContact O-N 2.96Å; Q152-A155 PolarHBondContact O-N 2.97Å; Q152-L156 WeakPolarHBondContact O-CB 3.47Å; Q152-L156 PolarHBondContact O-N 2.91Å; Q152-Y221 HydrophobicContact CG-CE1 4.35Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.43Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.31Å; Q152-Y221 PolarHBondContact NE2-OH 2.88Å; Q152-Y221 PolarHBondContact OE1-OH 3.48Å
153P77.6Confident83.3Confident11 Ų1156.1 Ų56.17%0.07130%0.303CS..Hα-helixtrans-63.6-33.1178.723.8-34.5000112W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.89Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.36Å; W109-P153 HydrophobicContact CD2-CG 3.85Å; W109-P153 HydrophobicContact CE3-CG 4.41Å; W109-P153 HydrophobicContact CG-CB 3.85Å; W109-P153 HydrophobicContact CG-CG 3.8Å; L149-P153 WeakPolarHBondContact O-CD 3.22Å; L150-P153 WeakPolarHBondContact O-CD 3.3Å; L150-P153 WeakPolarHBondContact O-CG 3.45Å; P153-A157 PolarHBondContact O-N 3.16Å; P153-A157 VanDerWaalsContact O-N 3.15Å
154M82.8Confident83.3Confident98 Ų9852.1 Ų52.148%0.48328%0.282SS..Hα-helixtrans-71-43.7176.9-163.3153.9-148.400111.6L102 I151 Q152 L156 A157 V158L102-M154 HydrophobicContact CD1-CE 4.41Å; L102-M154 HydrophobicContact CD1-CG 4.35Å; L102-M154 HydrophobicContact CD2-CE 4.34Å; I151-M154 CarbonylContact O-C 3.57Å; I151-M154 WeakPolarHBondContact O-CB 3.48Å; I151-M154 PolarHBondContact O-N 2.88Å; I151-M154 VanDerWaalsContact O-N 3.09Å; Q152-M154 PolarHBondContact O-N 2.96Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.17Å; M154-A157 PolarHBondContact O-N 3.16Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.5Å; M154-V158 PolarHBondContact O-N 2.91Å
155A84.5Confident83.4Confident41 Ų4149.4 Ų49.434%0.33927%0.27SS..Hα-helixtrans-60.9-37.3175.800000111.9I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.37Å; I151-A155 PolarHBondContact O-N 3.5Å; Q152-A155 PolarHBondContact O-N 2.97Å; A155-R159 WeakPolarHBondContact O-CB 3.2Å; A155-R159 PolarHBondContact O-N 3.25Å
156L79.1Confident83.6Confident6 Ų649.2 Ų49.23%0.03128%0.279CS..Hα-helixtrans-63.4-48175.3-168.278.3000111.9Q152 M154 R159 L160 F214 L217 V218Q152-L156 WeakPolarHBondContact O-CB 3.47Å; Q152-L156 PolarHBondContact O-N 2.91Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.17Å; L156-R159 PolarHBondContact O-N 3.45Å; L156-L160 PolarHBondContact O-N 3.4Å; L156-F214 HydrophobicContact CD1-CB 4.43Å; L156-F214 HydrophobicContact CD1-CD2 4.04Å; L156-F214 HydrophobicContact CD1-CG 4.4Å; L156-F214 HydrophobicContact CD2-CD1 4.11Å; L156-F214 HydrophobicContact CD2-CD2 3.26Å; L156-F214 HydrophobicContact CD2-CE1 4.06Å; L156-F214 HydrophobicContact CD2-CE2 3.18Å; L156-F214 HydrophobicContact CD2-CG 3.73Å; L156-F214 HydrophobicContact CD2-CZ 3.61Å; L156-F214 HydrophobicContact CG-CD2 3.37Å; L156-F214 HydrophobicContact CG-CE2 3.59Å; L156-F214 HydrophobicContact CG-CG 4.1Å; L156-F214 HydrophobicContact CG-CZ 4.48Å; L156-L217 HydrophobicContact CD1-CB 4.19Å; L156-L217 HydrophobicContact CD1-CD1 3.42Å; L156-L217 VanDerWaalsContact CD1-CD1 3.42Å; L156-L217 HydrophobicContact CD1-CG 4.43Å; L156-V218 HydrophobicContact CD2-CG2 4.37Å
157A82.6Confident84Confident0 Ų046.9 Ų46.90%027%0.265CS..Hα-helixtrans-62.6-44.7178.800000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.36Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 3.42Å; L102-A157 HydrophobicContact CB-CB 4.45Å; L102-A157 HydrophobicContact CD1-CB 4.08Å; A105-A157 HydrophobicContact CB-CB 4.27Å; P153-A157 PolarHBondContact O-N 3.16Å; P153-A157 VanDerWaalsContact O-N 3.15Å; M154-A157 PolarHBondContact O-N 3.16Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 2.99Å; A157-L160 PolarHBondContact O-N 2.83Å; A157-T161 PolarHBondContact O-N 3.3Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 2.82Å
158V86.4Confident84.1Confident66 Ų6644.5 Ų44.540%0.425%0.252SS..Hα-helixtrans-63.8-39177.4172.60000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.91Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.5Å; M154-V158 PolarHBondContact O-N 2.91Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.86Å; V158-T161 WeakPolarHBondContact CA-OG1 3.08Å; V158-T161 PolarHBondContact O-N 3.06Å; V158-T161 PolarHBondContact O-OG1 3.05Å; V158-A162 WeakPolarHBondContact O-CB 3.18Å; V158-A162 PolarHBondContact O-N 3.16Å
159R87Confident84.3Confident96 Ų9644.1 Ų44.136%0.36225%0.246SC..Hα-helixtrans-61.1-42.5177.8-168.2-172.9-61.3148.92.2111.7A155 L156 A157 N163 Q210A155-R159 WeakPolarHBondContact O-CB 3.2Å; A155-R159 PolarHBondContact O-N 3.25Å; L156-R159 PolarHBondContact O-N 3.45Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 2.99Å; R159-N163 WeakPolarHBondContact O-CB 3.27Å; R159-N163 VanDerWaalsContact O-CG 3.25Å; R159-N163 PolarHBondContact O-N 3.11Å; R159-N163 PolarHBondContact O-ND2 3.24Å; R159-Q210 VanDerWaalsContact CG-NE2 3.29Å
160L81.6Confident84.7Confident0 Ų045.8 Ų45.80%026%0.255CS..Hα-helixtrans-67.6-44.3179.2179.469.9000110.8I79 N83 T95 N101 L156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 4.02Å; I79-L160 HydrophobicContact CG2-CD2 4.15Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.14Å; T95-L160 HydrophobicContact CG2-CD2 4.48Å; N101-L160 HydrophobicContact CB-CD2 4.34Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 3.33Å; N101-L160 VanDerWaalsContact ND2-CD2 3.33Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.11Å; N101-L160 VanDerWaalsContact ND2-CG 3.28Å; N101-L160 WeakPolarHBondContact ND2-CG 3.37Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.28Å; L156-L160 PolarHBondContact O-N 3.4Å; A157-L160 PolarHBondContact O-N 2.83Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.86Å; L160-I164 HydrophobicContact CD1-CD1 3.74Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3.37Å; L160-I164 PolarHBondContact O-N 3.43Å; L160-Q210 VanDerWaalsContact CA-NE2 3.29Å; L160-Q210 HydrophobicContact CB-CG 4.21Å; L160-Q210 HydrophobicContact CD1-CB 4.34Å; L160-Q210 HydrophobicContact CD1-CG 3.4Å; L160-Q210 HydrophobicContact CG-CG 4.4Å
161T85.2Confident85.1Confident13 Ų1342.1 Ų42.18%0.0824%0.235CC..Hα-helixtrans-66.1-46.1177.949.40000112.4T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.41Å; L98-T161 VanDerWaalsContact CA-CG2 3.47Å; L98-T161 HydrophobicContact CB-CG2 4.07Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å; N101-T161 HydrophobicContact CB-CG2 4.26Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.2Å; N101-T161 PolarHBondContact ND2-N 3.36Å; A157-T161 PolarHBondContact O-N 3.3Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 2.82Å; V158-T161 WeakPolarHBondContact CA-OG1 3.08Å; V158-T161 PolarHBondContact O-N 3.06Å; V158-T161 PolarHBondContact O-OG1 3.05Å; T161-N163 PolarHBondContact O-N 3.27Å; T161-I164 PolarHBondContact O-N 3.38Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.29Å; T161-T165 VanDerWaalsContact O-CG2 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3Å; T161-T165 PolarHBondContact O-N 2.83Å; T161-T165 PolarHBondContact O-OG1 2.83Å
162A84.4Confident85.3Confident40 Ų4041 Ų4133%0.33123%0.227SC..Hα-helixtrans-63.9-44.1-172.900000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.18Å; V158-A162 PolarHBondContact O-N 3.16Å; A162-T165 WeakPolarHBondContact CA-OG1 3.48Å; A162-T165 PolarHBondContact O-OG1 3.27Å; A162-A166 WeakPolarHBondContact O-CB 3.43Å; A162-A166 PolarHBondContact O-N 3.25Å
163N87.8Confident85.6Confident59 Ų5941.8 Ų41.832%0.31623%0.234SC..Hα-helixtrans-63.7-48.9-179.5-69.2-6.3000111.2R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.27Å; R159-N163 VanDerWaalsContact O-CG 3.25Å; R159-N163 PolarHBondContact O-N 3.11Å; R159-N163 PolarHBondContact O-ND2 3.24Å; T161-N163 PolarHBondContact O-N 3.27Å; N163-G167 PolarHBondContact O-N 3.44Å; N163-V206 HydrophobicContact CB-CG1 4.06Å
164I85.1Confident86.3Confident6 Ų642.8 Ų42.83%0.03124%0.238CC..Hα-helixtrans-70.3-40.1-176.7-59.5172.7000111.4N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.3Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.2Å; T93-I164 HydrophobicContact CG2-CG2 4.26Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.26Å; T96-I164 HydrophobicContact CG2-CB 4.36Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; L160-I164 HydrophobicContact CD1-CD1 3.74Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3.37Å; L160-I164 PolarHBondContact O-N 3.43Å; T161-I164 PolarHBondContact O-N 3.38Å; I164-H168 WeakPolarHBondContact O-CB 3.45Å; I164-H168 PolarHBondContact O-CD2 3.45Å; I164-H168 PolarHBondContact O-N 2.94Å; I164-H168 VanDerWaalsContact O-N 3.09Å
165T86.9Confident86.6Confident37 Ų3739.3 Ų39.323%0.22723%0.227CC..Hα-helixtrans-67-46.3177.352.50000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.36Å; F9-T165 HydrophobicContact CE1-CG2 4.06Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.29Å; T161-T165 VanDerWaalsContact O-CG2 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3Å; T161-T165 PolarHBondContact O-N 2.83Å; T161-T165 PolarHBondContact O-OG1 2.83Å; A162-T165 WeakPolarHBondContact CA-OG1 3.48Å; A162-T165 PolarHBondContact O-OG1 3.27Å; T165-H168 PolarHBondContact O-N 3.02Å; T165-L169 WeakPolarHBondContact O-CB 3.4Å; T165-L169 WeakPolarHBondContact O-CG 3.3Å; T165-L169 PolarHBondContact O-N 3Å
166A87Confident86.7Confident54 Ų5440 Ų4045%0.44623%0.23SC..Hα-helixtrans-64.1-43.4178.600000111.3A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.43Å; A162-A166 PolarHBondContact O-N 3.25Å; A166-L169 PolarHBondContact O-N 3.07Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.27Å; A166-L170 PolarHBondContact O-N 2.73Å
167G87.5Confident87.1Confident5 Ų541.7 Ų41.75%0.05224%0.244CC..Hα-helixtrans-58.9-48.1176.600000112.7N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.44Å; G167-L170 PolarHBondContact O-N 3.39Å; G167-M171 WeakPolarHBondContact O-CG 3.43Å; G167-M171 PolarHBondContact O-N 3.28Å; G167-E203 WeakPolarHBondContact CA-OE2 3.33Å
168H87.6Confident87.5Confident33 Ų3342.6 Ų42.615%0.15325%0.249CC..Hα-helixtrans-62.2-43.6175.7-93.2-89.5000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.13Å; F9-H168 HydrophobicContact CZ-CB 3.86Å; G86-H168 PolarHBondContact O-CE1 3.07Å; G86-H168 PolarHBondContact O-NE2 2.86Å; I164-H168 WeakPolarHBondContact O-CB 3.45Å; I164-H168 PolarHBondContact O-CD2 3.45Å; I164-H168 PolarHBondContact O-N 2.94Å; I164-H168 VanDerWaalsContact O-N 3.09Å; T165-H168 PolarHBondContact O-N 3.02Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.15Å; H168-M171 PolarHBondContact O-N 3.08Å; H168-H172 WeakPolarHBondContact O-CB 3.33Å; H168-H172 PolarHBondContact O-N 3Å
169L87.6Confident87.6Confident41 Ų4145.5 Ų45.522%0.21526%0.262CS..Hα-helixtrans-61.9-42.3175.9-78.1170.8000111.3L5 F6 F9 T165 A166 H172 L173L5-L169 HydrophobicContact CB-CD2 4.3Å; F6-L169 HydrophobicContact CD1-CD2 4.47Å; F6-L169 HydrophobicContact CE1-CD1 4.08Å; F6-L169 HydrophobicContact CE1-CD2 4.14Å; F9-L169 HydrophobicContact CE2-CD1 4.39Å; F9-L169 HydrophobicContact CE2-CD2 3.69Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.33Å; F9-L169 HydrophobicContact CZ-CG 3.93Å; T165-L169 WeakPolarHBondContact O-CB 3.4Å; T165-L169 WeakPolarHBondContact O-CG 3.3Å; T165-L169 PolarHBondContact O-N 3Å; A166-L169 PolarHBondContact O-N 3.07Å; L169-H172 PolarHBondContact O-N 3.35Å; L169-L173 WeakPolarHBondContact O-CB 3.24Å; L169-L173 WeakPolarHBondContact O-CG 3.42Å; L169-L173 PolarHBondContact O-N 3.1Å
170L89.5Confident87.6Confident79 Ų7943.1 Ų43.141%0.41426%0.263SS..Hα-helixtrans-67.6-42.3-179.2-154.5155.5000111A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.27Å; A166-L170 PolarHBondContact O-N 2.73Å; G167-L170 PolarHBondContact O-N 3.39Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.15Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 2.98Å; L170-L173 PolarHBondContact O-N 3.47Å; L170-I174 HydrophobicContact CD2-CD1 3.45Å; L170-I174 VanDerWaalsContact CD2-CD1 3.45Å; L170-I174 HydrophobicContact CD2-CG1 4.02Å; L170-I174 WeakPolarHBondContact O-CG1 3.43Å; L170-I174 PolarHBondContact O-N 3.26Å; L170-L199 HydrophobicContact CB-CD2 4.33Å; L170-L199 HydrophobicContact CD2-CD1 3.68Å; L170-L199 HydrophobicContact CD2-CD2 3.22Å; L170-L199 HydrophobicContact CD2-CG 4.06Å; L170-L199 HydrophobicContact CG-CD2 4.35Å
171M90.1Very high87.9Confident30 Ų3046.1 Ų46.115%0.14828%0.278CS..Hα-helixtrans-59.2-42.5172.2-75.3-172.8-68.900111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.98Å; G167-M171 WeakPolarHBondContact O-CG 3.43Å; G167-M171 PolarHBondContact O-N 3.28Å; H168-M171 PolarHBondContact O-N 3.08Å; M171-G175 PolarHBondContact O-N 2.98Å; M171-L199 HydrophobicContact CB-CD2 4.31Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.2Å; M171-T200 HydrophobicContact SD-CG2 3.89Å; M171-E203 HydrophobicContact CE-CG 4.14Å
172H88.8Confident88Confident76 Ų7648.5 Ų48.535%0.35230%0.295SS..Hα-helixtrans-67.8-41.8178.6-166.7-63.5000112.3L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.42Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.25Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.34Å; H168-H172 WeakPolarHBondContact O-CB 3.33Å; H168-H172 PolarHBondContact O-N 3Å; L169-H172 PolarHBondContact O-N 3.35Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 2.98Å; H172-G175 PolarHBondContact O-N 3Å; H172-S176 PolarHBondContact O-N 2.9Å; H172-S176 PolarHBondContact O-OG 2.9Å
173L89.3Confident88.1Confident87 Ų8752.2 Ų52.246%0.45531%0.314SS..Hα-helixtrans-63.7-48.3178-75171.5000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 3.86Å; L5-L173 HydrophobicContact CD2-CD2 4.45Å; L169-L173 WeakPolarHBondContact O-CB 3.24Å; L169-L173 WeakPolarHBondContact O-CG 3.42Å; L169-L173 PolarHBondContact O-N 3.1Å; L170-L173 PolarHBondContact O-N 3.47Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.36Å; L173-S176 PolarHBondContact O-N 3.34Å; L173-S176 PolarHBondContact O-OG 3.29Å; L173-A177 PolarHBondContact O-N 2.85Å
174I90.5Very high88Confident32 Ų3254.4 Ų54.416%0.16432%0.324CS..Hα-helixtrans-64.7-39.7176.8-64.6-173.1000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.45Å; L170-I174 VanDerWaalsContact CD2-CD1 3.45Å; L170-I174 HydrophobicContact CD2-CG1 4.02Å; L170-I174 WeakPolarHBondContact O-CG1 3.43Å; L170-I174 PolarHBondContact O-N 3.26Å; I174-S176 VanDerWaalsContact C-N 3.34Å; I174-S176 PolarHBondContact O-N 2.99Å; I174-A177 WeakPolarHBondContact O-CB 3.47Å; I174-A177 PolarHBondContact O-N 3.46Å; I174-A177 VanDerWaalsContact O-N 3.16Å; I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.26Å; I174-T178 PolarHBondContact O-N 3.42Å; I174-T178 PolarHBondContact O-OG1 3.36Å; I174-I192 HydrophobicContact CG2-CG2 3.83Å; I174-I195 HydrophobicContact CD1-CG2 4.04Å; I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 4Å; I174-L196 HydrophobicContact CG2-CG 4.5Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å
175G89.3Confident88.1Confident24 Ų2458.7 Ų58.725%0.24735%0.347CS..Hα-helixtrans-61.2-38.4174.600000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 2.98Å; H172-G175 PolarHBondContact O-N 3Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.36Å; G175-T178 PolarHBondContact O-OG1 3.32Å; G175-L179 PolarHBondContact O-N 3.36Å
176S88.3Confident88Confident57 Ų5763.9 Ų63.940%0.39937%0.373SS..Hα-helixtrans-69.1-36.2173.871.30000112.1H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 2.9Å; H172-S176 PolarHBondContact O-OG 2.9Å; L173-S176 PolarHBondContact O-N 3.34Å; L173-S176 PolarHBondContact O-OG 3.29Å; I174-S176 VanDerWaalsContact C-N 3.34Å; I174-S176 PolarHBondContact O-N 2.99Å; S176-L179 PolarHBondContact O-N 3.47Å; S176-A180 WeakPolarHBondContact O-CB 3.29Å; S176-A180 PolarHBondContact O-N 3.49Å
177A87.6Confident88.1Confident41 Ų4165.8 Ų65.834%0.33938%0.381SS..Hα-helixtrans-68.6-40.5176.400000112.1L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.85Å; I174-A177 WeakPolarHBondContact O-CB 3.47Å; I174-A177 PolarHBondContact O-N 3.46Å; I174-A177 VanDerWaalsContact O-N 3.16Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.29Å; A177-A180 PolarHBondContact O-N 3.29Å; A177-M181 WeakPolarHBondContact O-CB 3.12Å; A177-M181 WeakPolarHBondContact O-CG 3.48Å; A177-M181 PolarHBondContact O-N 2.86Å
178T89.9Confident88Confident18 Ų1867.3 Ų67.311%0.1139%0.39CS..Hα-helixtrans-61.8-42.3174.556.10000111I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.26Å; I174-T178 PolarHBondContact O-N 3.42Å; I174-T178 PolarHBondContact O-OG1 3.36Å; G175-T178 PolarHBondContact O-OG1 3.32Å; T178-M181 PolarHBondContact O-N 3.3Å; T178-S182 WeakPolarHBondContact O-CB 3.47Å; T178-S182 PolarHBondContact O-N 3.35Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å
179L88.8Confident88.2Confident128 Ų12866.8 Ų66.867%0.6739%0.39SS*.Hα-helixtrans-66.2-42.1179.2-162142.6000111.6G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.36Å; S176-L179 PolarHBondContact O-N 3.47Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.29Å; L179-S182 WeakPolarHBondContact O-CB 3.39Å; L179-S182 PolarHBondContact O-N 3Å; L179-S182 PolarHBondContact O-OG 3.42Å
180A87.9Confident88.3Confident46 Ų4670.6 Ų70.638%0.3841%0.41SS..Hα-helixtrans-63-45.8174.300000112.3S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.29Å; S176-A180 PolarHBondContact O-N 3.49Å; A177-A180 PolarHBondContact O-N 3.29Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.01Å; A180-T183 PolarHBondContact O-N 3.23Å; A180-T183 PolarHBondContact O-OG1 2.98Å
181M86.8Confident88.4Confident63 Ų6372 Ų7231%0.3142%0.417SS..Hα-helixtrans-69.6-24.8-178.9-67.8-64.4113.600113.4A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.12Å; A177-M181 WeakPolarHBondContact O-CG 3.48Å; A177-M181 PolarHBondContact O-N 2.86Å; T178-M181 PolarHBondContact O-N 3.3Å; M181-T183 PolarHBondContact O-N 3.39Å; M181-I184 HydrophobicContact CE-CD1 3.61Å; M181-I184 PolarHBondContact O-N 2.87Å; M181-I184 HydrophobicContact SD-CD1 4.21Å; M181-N185 PolarHBondContact O-N 2.59Å; M181-T189 PolarHBondContact O-OG1 3.44Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; M181-I192 HydrophobicContact CB-CD1 4.14Å; M181-I192 HydrophobicContact CG-CD1 3.62Å
182S86.5Confident88.5Confident62 Ų6272.6 Ų72.643%0.43442%0.42SS..Hα-helixtrans-57.7-30.3176.577.50000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.47Å; T178-S182 PolarHBondContact O-N 3.35Å; L179-S182 WeakPolarHBondContact O-CB 3.39Å; L179-S182 PolarHBondContact O-N 3Å; L179-S182 PolarHBondContact O-OG 3.42Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.01Å; S182-T189 VanDerWaalsContact CA-OG1 3.3Å; S182-T189 WeakPolarHBondContact CA-OG1 3.4Å; S182-T189 PolarHBondContact N-OG1 2.86Å
183T86.6Confident88.7Confident119 Ų11974 Ų7473%0.7343%0.425SS*.THydrogen-bonded Turntrans-81.2-18.6178.966.60000113.5A180 M181A180-T183 PolarHBondContact O-N 3.23Å; A180-T183 PolarHBondContact O-OG1 2.98Å; M181-T183 PolarHBondContact O-N 3.39Å
184I86.9Confident88.9Confident105 Ų10573.5 Ų73.554%0.53843%0.426SS..THydrogen-bonded Turntrans-99.8-60.4-173.2-56.9171.7000110.3M181M181-I184 HydrophobicContact CE-CD1 3.61Å; M181-I184 PolarHBondContact O-N 2.87Å; M181-I184 HydrophobicContact SD-CD1 4.21Å
185N87.2Confident89Confident95 Ų9576 Ų7651%0.50844%0.438SS..  trans-147.2116.6-172.3-81.7-24.5000112M181 S188 T189M181-N185 PolarHBondContact O-N 2.59Å; N185-S188 WeakPolarHBondContact CB-OG 3.3Å; N185-S188 PolarHBondContact O-N 2.82Å; N185-S188 PolarHBondContact O-OG 3.33Å; N185-T189 PolarHBondContact O-N 2.98Å; N185-T189 PolarHBondContact O-OG1 3.46Å
186L85.4Confident89.2Confident146 Ų14676.2 Ų76.276%0.76443%0.434SS*.Hα-helixtrans-56.4-46.3177.8-155.789.7000114.8S188 T189 L190L186-S188 PolarHBondContact O-N 3.15Å; L186-T189 WeakPolarHBondContact O-CB 3.33Å; L186-T189 PolarHBondContact O-N 3.4Å; L186-L190 PolarHBondContact O-N 2.86Å
187P87.8Confident89.4Confident94 Ų9477.2 Ų77.261%0.6143%0.434SS*.Hα-helixtrans-67.9-35.3-176.624.9-33.2000112.6T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 3Å; P187-L190 PolarHBondContact O-N 3.38Å; P187-I191 PolarHBondContact O-N 2.92Å
188S86.3Confident89.7Confident37 Ų3781 Ų8126%0.25945%0.448SS..Hα-helixtrans-67-34.3175.469.80000112.4N185 L186 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.3Å; N185-S188 PolarHBondContact O-N 2.82Å; N185-S188 PolarHBondContact O-OG 3.33Å; L186-S188 PolarHBondContact O-N 3.15Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.2Å; S188-I191 PolarHBondContact O-N 3.37Å; S188-I192 WeakPolarHBondContact O-CG1 3.47Å; S188-I192 PolarHBondContact O-N 2.97Å
189T91Very high89.9Confident23 Ų2381.2 Ų81.214%0.14145%0.448CS..Hα-helixtrans-63.9-40.1176.9-56.70000111.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 3.44Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; S182-T189 VanDerWaalsContact CA-OG1 3.3Å; S182-T189 WeakPolarHBondContact CA-OG1 3.4Å; S182-T189 PolarHBondContact N-OG1 2.86Å; N185-T189 PolarHBondContact O-N 2.98Å; N185-T189 PolarHBondContact O-OG1 3.46Å; L186-T189 WeakPolarHBondContact O-CB 3.33Å; L186-T189 PolarHBondContact O-N 3.4Å; P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 3Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 2.99Å; T189-I192 PolarHBondContact O-N 3.39Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.26Å; T189-F193 PolarHBondContact O-N 2.82Å
190L90.4Very high90Very high120 Ų12077.6 Ų77.663%0.62843%0.431SS*.Hα-helixtrans-60.2-41.4177.5-166.177.8000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.86Å; P187-L190 PolarHBondContact O-N 3.38Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.2Å; L190-F193 PolarHBondContact O-N 3.39Å; L190-T194 WeakPolarHBondContact O-CG2 3.44Å; L190-T194 PolarHBondContact O-N 2.94Å; L190-T194 PolarHBondContact O-OG1 2.74Å
191I91.9Very high90.2Very high109 Ų10980.1 Ų80.156%0.55944%0.438SS*.Hα-helixtrans-65.5-44.2179-61.6166.9000111.1P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.92Å; S188-I191 PolarHBondContact O-N 3.37Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 2.99Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.93Å; I191-T194 PolarHBondContact O-N 3.46Å; I191-T194 PolarHBondContact O-OG1 3.47Å; I191-I195 HydrophobicContact CG2-CD1 4.37Å; I191-I195 WeakPolarHBondContact O-CG1 3.33Å; I191-I195 PolarHBondContact O-N 2.98Å
192I92.3Very high90.4Very high42 Ų4281.9 Ų81.922%0.21545%0.448CS..Hα-helixtrans-70.6-33.5179.8-56.4167.9000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.83Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.14Å; M181-I192 HydrophobicContact CG-CD1 3.62Å; S188-I192 WeakPolarHBondContact O-CG1 3.47Å; S188-I192 PolarHBondContact O-N 2.97Å; T189-I192 PolarHBondContact O-N 3.39Å; I192-I195 WeakPolarHBondContact O-CB 3.48Å; I192-I195 PolarHBondContact O-N 3.44Å; I192-L196 PolarHBondContact O-N 3.47Å
193F92Very high90.6Very high105 Ų10579.6 Ų79.646%0.46143%0.43SS..Hα-helixtrans-66.1-38.9175.3-173.4-106000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.26Å; T189-F193 PolarHBondContact O-N 2.82Å; L190-F193 PolarHBondContact O-N 3.39Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.93Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.88Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.27Å; F193-L196 PolarHBondContact O-N 2.88Å; F193-I197 HydrophobicContact CD1-CD1 3.84Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 VanDerWaalsContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.25Å; F193-I197 HydrophobicContact CZ-CD1 4.12Å; F193-I197 HydrophobicContact CZ-CG1 4.46Å; F193-I197 PolarHBondContact O-N 3.44Å
194T93.2Very high90.8Very high77 Ų7777.9 Ų77.947%0.47242%0.416SS..Hα-helixtrans-65.2-36.9173.756.90000111.7L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.44Å; L190-T194 PolarHBondContact O-N 2.94Å; L190-T194 PolarHBondContact O-OG1 2.74Å; I191-T194 PolarHBondContact O-N 3.46Å; I191-T194 PolarHBondContact O-OG1 3.47Å; T194-I197 PolarHBondContact O-N 3.29Å; T194-L198 PolarHBondContact O-N 3.46Å
195I93.7Very high91Very high84 Ų8475 Ų7543%0.43141%0.408SS..Hα-helixtrans-62.2-42.5172.7-65.3166.7000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.04Å; I191-I195 HydrophobicContact CG2-CD1 4.37Å; I191-I195 WeakPolarHBondContact O-CG1 3.33Å; I191-I195 PolarHBondContact O-N 2.98Å; I192-I195 WeakPolarHBondContact O-CB 3.48Å; I192-I195 PolarHBondContact O-N 3.44Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.88Å; I195-I197 PolarHBondContact O-N 3.44Å; I195-L198 PolarHBondContact O-N 3.26Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 PolarHBondContact O-N 3.39Å
196L93.1Very high91.2Very high30 Ų3072.4 Ų72.416%0.15740%0.395CS..Hα-helixtrans-59.4-45.6176.3-177.965.7000111.5I174 I192 F193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 4Å; I174-L196 HydrophobicContact CG2-CG 4.5Å; I192-L196 PolarHBondContact O-N 3.47Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.27Å; F193-L196 PolarHBondContact O-N 2.88Å; L196-L198 PolarHBondContact O-N 3.43Å; L196-L199 WeakPolarHBondContact O-CB 3.14Å; L196-L199 PolarHBondContact O-N 3.16Å; L196-T200 WeakPolarHBondContact O-CG2 3.26Å; L196-T200 PolarHBondContact O-N 3.37Å
197I92.5Very high91.4Very high78 Ų7865.6 Ų65.640%0.436%0.36SS..Hα-helixtrans-60.1-47.5176.4-67.5165.7000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.84Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 VanDerWaalsContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.25Å; F193-I197 HydrophobicContact CZ-CD1 4.12Å; F193-I197 HydrophobicContact CZ-CG1 4.46Å; F193-I197 PolarHBondContact O-N 3.44Å; T194-I197 PolarHBondContact O-N 3.29Å; I195-I197 PolarHBondContact O-N 3.44Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.98Å; I197-T200 PolarHBondContact O-N 2.89Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 3.48Å; I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.49Å; I197-I201 PolarHBondContact O-N 3.04Å; I197-I201 VanDerWaalsContact O-N 3.14Å
198L94.4Very high91.4Very high119 Ų11966.7 Ų66.762%0.62336%0.36SS*.Hα-helixtrans-59.7-40.9179.5-176.263.4000111.8T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.46Å; I195-L198 PolarHBondContact O-N 3.26Å; L196-L198 PolarHBondContact O-N 3.43Å; L198-I201 PolarHBondContact O-N 3.36Å; L198-L202 PolarHBondContact O-N 3.03Å
199L92.9Very high91.6Very high23 Ų2369.5 Ų69.512%0.1237%0.371CS..Hα-helixtrans-62.7-42.6175.9-177.273.8000112.1L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.33Å; L170-L199 HydrophobicContact CD2-CD1 3.68Å; L170-L199 HydrophobicContact CD2-CD2 3.22Å; L170-L199 HydrophobicContact CD2-CG 4.06Å; L170-L199 HydrophobicContact CG-CD2 4.35Å; M171-L199 HydrophobicContact CB-CD2 4.31Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.2Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 PolarHBondContact O-N 3.39Å; L196-L199 WeakPolarHBondContact O-CB 3.14Å; L196-L199 PolarHBondContact O-N 3.16Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.98Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 2.98Å; L199-L202 HydrophobicContact CD1-CD2 4.48Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.15Å; L199-E203 PolarHBondContact O-N 3Å
200T91Very high91.5Very high52 Ų5268.8 Ų68.832%0.31937%0.367SS..Hα-helixtrans-61.7-38.2177.861.20000111.9M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.89Å; L196-T200 WeakPolarHBondContact O-CG2 3.26Å; L196-T200 PolarHBondContact O-N 3.37Å; I197-T200 PolarHBondContact O-N 2.89Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 3.48Å; T200-E203 PolarHBondContact O-N 3.17Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.45Å; T200-I204 PolarHBondContact O-N 2.91Å
201I92.4Very high91.5Very high100 Ų10063.1 Ų63.151%0.51334%0.337SS..Hα-helixtrans-65.1-43.4175.8-64.3167.7000110.5I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.49Å; I197-I201 PolarHBondContact O-N 3.04Å; I197-I201 VanDerWaalsContact O-N 3.14Å; L198-I201 PolarHBondContact O-N 3.36Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 2.98Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.15Å; I201-I204 PolarHBondContact O-N 2.77Å; I201-A205 PolarHBondContact O-N 3.13Å; I201-A205 VanDerWaalsContact O-N 3.13Å
202L91.7Very high91.3Very high100 Ų10062.4 Ų62.452%0.52433%0.328SS..Hα-helixtrans-59.4-45.6175.8179.767.1000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.03Å; L199-L202 HydrophobicContact CD1-CD2 4.48Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.15Å; L202-I204 PolarHBondContact O-N 3.36Å; L202-A205 WeakPolarHBondContact O-CB 3.39Å; L202-A205 PolarHBondContact O-N 3.13Å; L202-A205 VanDerWaalsContact O-N 3.13Å; L202-V206 HydrophobicContact CD1-CG2 4.34Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.33Å; L202-V206 PolarHBondContact O-N 3.38Å
203E90.4Very high91.2Very high13 Ų1362.5 Ų62.56%0.06133%0.33CS..Hα-helixtrans-66.9-37.7-177.2-16365-161.400112L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.41Å; L87-E203 HydrophobicContact CD2-CB 4.23Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; G167-E203 WeakPolarHBondContact CA-OE2 3.33Å; M171-E203 HydrophobicContact CE-CG 4.14Å; L199-E203 PolarHBondContact O-N 3Å; T200-E203 PolarHBondContact O-N 3.17Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.15Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.2Å; E203-V206 PolarHBondContact O-N 3.03Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.33Å; E203-A207 PolarHBondContact O-N 3.4Å
204I90.6Very high90.9Very high84 Ų8457.5 Ų57.543%0.43131%0.308SS..Hα-helixtrans-59.3-43.2171.8-67.5164.6000110.6L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.22Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.45Å; T200-I204 PolarHBondContact O-N 2.91Å; I201-I204 PolarHBondContact O-N 2.77Å; L202-I204 PolarHBondContact O-N 3.36Å; I204-L208 PolarHBondContact O-N 3.45Å
205A91.4Very high90.7Very high45 Ų4553.9 Ų53.937%0.37229%0.286SS..Hα-helixtrans-65.4-45.8177.200000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.13Å; I201-A205 VanDerWaalsContact O-N 3.13Å; L202-A205 WeakPolarHBondContact O-CB 3.39Å; L202-A205 PolarHBondContact O-N 3.13Å; L202-A205 VanDerWaalsContact O-N 3.13Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.2Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.65Å; A205-L208 PolarHBondContact O-N 3.47Å; A205-I209 WeakPolarHBondContact O-CB 3.46Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.48Å; A205-I209 PolarHBondContact O-N 3.41Å
206V91.4Very high90.4Very high39 Ų3952.1 Ų52.124%0.23628%0.277CS..Hα-helixtrans-61.5-42178.4172.80000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.06Å; L202-V206 HydrophobicContact CD1-CG2 4.34Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.33Å; L202-V206 PolarHBondContact O-N 3.38Å; E203-V206 PolarHBondContact O-N 3.03Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.18Å; V206-I209 PolarHBondContact O-N 2.81Å; V206-Q210 WeakPolarHBondContact O-CB 3.43Å; V206-Q210 PolarHBondContact O-N 3.48Å
207A89.1Confident90Very high4 Ų452.4 Ų52.43%0.03328%0.279CS..Hα-helixtrans-57.9-42178.100000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.93Å; N83-A207 PolarHBondContact ND2-O 3.31Å; L87-A207 HydrophobicContact CD1-CB 4.09Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.33Å; E203-A207 PolarHBondContact O-N 3.4Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.65Å; A207-A211 PolarHBondContact O-N 2.93Å
208L88.6Confident89.6Confident116 Ų11649.1 Ų49.161%0.60726%0.262SS*.Hα-helixtrans-74.7-45.7178.9-167.3154.8000111.6I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.45Å; A205-L208 PolarHBondContact O-N 3.47Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.18Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 2.96Å; L208-A211 PolarHBondContact O-N 2.83Å; L208-Y212 PolarHBondContact O-N 3.23Å; L208-Y212 VanDerWaalsContact O-N 3.17Å
209I90.4Very high89.2Confident96 Ų9643.8 Ų43.849%0.49224%0.235SC..Hα-helixtrans-60-40.8178.2-69167000110.4A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.46Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.48Å; A205-I209 PolarHBondContact O-N 3.41Å; V206-I209 PolarHBondContact O-N 2.81Å; I209-A211 PolarHBondContact O-N 2.95Å; I209-Y212 WeakPolarHBondContact O-CB 3.48Å; I209-Y212 PolarHBondContact O-N 2.91Å; I209-Y212 VanDerWaalsContact O-N 3.16Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 3.3Å
210Q88.7Confident88.7Confident9 Ų946.3 Ų46.34%0.04225%0.248CC..Hα-helixtrans-66.6-37.9-177.9-173.563.68.300112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact CG-NE2 3.29Å; L160-Q210 VanDerWaalsContact CA-NE2 3.29Å; L160-Q210 HydrophobicContact CB-CG 4.21Å; L160-Q210 HydrophobicContact CD1-CB 4.34Å; L160-Q210 HydrophobicContact CD1-CG 3.4Å; L160-Q210 HydrophobicContact CG-CG 4.4Å; V206-Q210 WeakPolarHBondContact O-CB 3.43Å; V206-Q210 PolarHBondContact O-N 3.48Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 2.96Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.27Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 2.67Å
211A89.2Confident88.1Confident1 Ų144.7 Ų44.71%0.00824%0.236CC..Hα-helixtrans-62.2-41.4172.300000111.6I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.49Å; I79-A211 HydrophobicContact CB-CB 4.03Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; A80-A211 HydrophobicContact CB-CB 3.93Å; A207-A211 PolarHBondContact O-N 2.93Å; L208-A211 PolarHBondContact O-N 2.83Å; I209-A211 PolarHBondContact O-N 2.95Å; A211-T215 WeakPolarHBondContact O-CG2 3.43Å; A211-T215 PolarHBondContact O-N 3.33Å; A211-T215 PolarHBondContact O-OG1 3Å
212Y89.3Confident87.5Confident94 Ų9440 Ų4037%0.36921%0.212SC..Hα-helixtrans-65.5-48.6176.5177.4-100.4000112.4I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.13Å; L208-Y212 PolarHBondContact O-N 3.23Å; L208-Y212 VanDerWaalsContact O-N 3.17Å; I209-Y212 WeakPolarHBondContact O-CB 3.48Å; I209-Y212 PolarHBondContact O-N 2.91Å; I209-Y212 VanDerWaalsContact O-N 3.16Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.27Å; Y212-F214 VanDerWaalsContact C-N 3.32Å; Y212-F214 PolarHBondContact O-N 3.2Å; Y212-T215 PolarHBondContact O-N 3.48Å; Y212-T215 PolarHBondContact O-OG1 3.14Å; Y212-L216 HydrophobicContact CE1-CD1 3.63Å; Y212-L216 HydrophobicContact CE2-CD1 4.48Å; Y212-L216 VanDerWaalsContact O-CB 3.27Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.47Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.48Å
213V89.2Confident86.9Confident44 Ų4439.1 Ų39.127%0.26721%0.205SC..Hα-helixtrans-63.1-39179.8172.50000111.4I209 L217I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 3.3Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 WeakPolarHBondContact O-CB 3.5Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 3.48Å
214F86.7Confident86.2Confident0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-57.1-52.7175.5-172.1-80.6000111.4L75 I79 A105 L108 L156 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.2Å; L75-F214 HydrophobicContact CD2-CD1 3.88Å; L75-F214 HydrophobicContact CD2-CE1 3.81Å; L75-F214 HydrophobicContact CG-CD1 4.36Å; L75-F214 HydrophobicContact CG-CE1 4.25Å; I79-F214 HydrophobicContact CD1-CB 4.28Å; I79-F214 HydrophobicContact CD1-CD1 3.35Å; I79-F214 HydrophobicContact CD1-CD2 4.36Å; I79-F214 HydrophobicContact CD1-CE1 3.68Å; I79-F214 HydrophobicContact CD1-CG 3.75Å; I79-F214 HydrophobicContact CD1-CZ 4.33Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.12Å; L108-F214 HydrophobicContact CD1-CE1 4.1Å; L156-F214 HydrophobicContact CD1-CB 4.43Å; L156-F214 HydrophobicContact CD1-CD2 4.04Å; L156-F214 HydrophobicContact CD1-CG 4.4Å; L156-F214 HydrophobicContact CD2-CD1 4.11Å; L156-F214 HydrophobicContact CD2-CD2 3.26Å; L156-F214 HydrophobicContact CD2-CE1 4.06Å; L156-F214 HydrophobicContact CD2-CE2 3.18Å; L156-F214 HydrophobicContact CD2-CG 3.73Å; L156-F214 HydrophobicContact CD2-CZ 3.61Å; L156-F214 HydrophobicContact CG-CD2 3.37Å; L156-F214 HydrophobicContact CG-CE2 3.59Å; L156-F214 HydrophobicContact CG-CG 4.1Å; L156-F214 HydrophobicContact CG-CZ 4.48Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 2.67Å; Y212-F214 VanDerWaalsContact C-N 3.32Å; Y212-F214 PolarHBondContact O-N 3.2Å; F214-L217 PolarHBondContact O-N 3.34Å; F214-V218 HydrophobicContact CD1-CG2 4.4Å; F214-V218 HydrophobicContact CE1-CG2 4.24Å; F214-V218 WeakPolarHBondContact O-CG2 3.48Å; F214-V218 PolarHBondContact O-N 3.29Å
215T88Confident85.3Confident0 Ų039.4 Ų39.40%021%0.208CC..Hα-helixtrans-72.8-34.8-175.553.60000112.6M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.36Å; L75-T215 HydrophobicContact CB-CG2 4.09Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.78Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.51Å; I76-T215 HydrophobicContact CG1-CG2 4.09Å; A211-T215 WeakPolarHBondContact O-CG2 3.43Å; A211-T215 PolarHBondContact O-N 3.33Å; A211-T215 PolarHBondContact O-OG1 3Å; Y212-T215 PolarHBondContact O-N 3.48Å; Y212-T215 PolarHBondContact O-OG1 3.14Å; T215-V218 PolarHBondContact O-N 3.35Å; T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 3.18Å
216L87Confident84.1Confident47 Ų4738.7 Ų38.725%0.24620%0.199CC..Hα-helixtrans-62.7-45.2173.5-175.8149.3000111.7Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.63Å; Y212-L216 HydrophobicContact CE2-CD1 4.48Å; Y212-L216 VanDerWaalsContact O-CB 3.27Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.47Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.48Å; L216-V218 PolarHBondContact O-N 3.05Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.21Å; L216-S219 PolarHBondContact O-N 3.23Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.12Å; L216-L220 PolarHBondContact O-N 3.21Å
217L85.3Confident83.7Confident37 Ų3738.7 Ų38.719%0.19420%0.197CC..Hα-helixtrans-63-42.9177.9-78.2165.8000111.7L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 4.19Å; L156-L217 HydrophobicContact CD1-CD1 3.42Å; L156-L217 VanDerWaalsContact CD1-CD1 3.42Å; L156-L217 HydrophobicContact CD1-CG 4.43Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 WeakPolarHBondContact O-CB 3.5Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 3.48Å; F214-L217 PolarHBondContact O-N 3.34Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.05Å; L217-L220 PolarHBondContact O-N 3.22Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.38Å; L217-Y221 WeakPolarHBondContact O-CE2 3.41Å; L217-Y221 PolarHBondContact O-N 3.49Å
218V83.9Confident83.4Confident9 Ų940.5 Ų40.56%0.05521%0.206CC..Hα-helixtrans-59.2-40.4173.1177.10000111.3L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.22Å; L72-V218 HydrophobicContact CD2-CG1 3.85Å; L108-V218 HydrophobicContact CB-CG1 4.37Å; L156-V218 HydrophobicContact CD2-CG2 4.37Å; F214-V218 HydrophobicContact CD1-CG2 4.4Å; F214-V218 HydrophobicContact CE1-CG2 4.24Å; F214-V218 WeakPolarHBondContact O-CG2 3.48Å; F214-V218 PolarHBondContact O-N 3.29Å; T215-V218 PolarHBondContact O-N 3.35Å; L216-V218 PolarHBondContact O-N 3.05Å; V218-Y221 PolarHBondContact O-N 2.82Å; V218-L222 PolarHBondContact O-N 3.38Å; V218-L222 VanDerWaalsContact O-N 3.08Å
219S85.1Confident83.1Confident6 Ų636.3 Ų36.34%0.04218%0.183CC..Hα-helixtrans-66.7-38.2176.886.50000112.4H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-O 3Å; H61-S219 PolarHBondContact NE2-O 2.95Å; T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 3.18Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.21Å; L216-S219 PolarHBondContact O-N 3.23Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.12Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.05Å; S219-L222 WeakPolarHBondContact O-CB 3.47Å; S219-L222 PolarHBondContact O-N 3.31Å; S219-H223 PolarHBondContact O-N 3.49Å
220L82.9Confident82.7Confident77 Ų7732.8 Ų32.840%0.40317%0.165SC..Hα-helixtrans-66-41.9176.7-171.7148.7000111L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.21Å; L217-L220 PolarHBondContact O-N 3.22Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.19Å; L220-H223 WeakPolarHBondContact O-CA 3.3Å; L220-H223 WeakPolarHBondContact O-CB 3.27Å; L220-H223 PolarHBondContact O-N 3.47Å; L220-H223 VanDerWaalsContact O-N 3.09Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.4Å; L220-D224 PolarHBondContact O-N 3.38Å
221Y78.4Confident82.3Confident18 Ų1834.3 Ų34.37%0.07117%0.173CC..Hα-helixtrans-61-39172.9-61.1-49000112.4Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.35Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.43Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.31Å; Q152-Y221 PolarHBondContact NE2-OH 2.88Å; Q152-Y221 PolarHBondContact OE1-OH 3.48Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.38Å; L217-Y221 WeakPolarHBondContact O-CE2 3.41Å; L217-Y221 PolarHBondContact O-N 3.49Å; V218-Y221 PolarHBondContact O-N 2.82Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.4Å; Y221-N225 PolarHBondContact O-N 3.43Å; Y221-N225 VanDerWaalsContact O-N 3.11Å; Y221-N225 PolarHBondContact O-ND2 3.48Å
222L79.3Confident81.9Confident2 Ų236.5 Ų36.51%0.0118%0.184CC..Hα-helixtrans-64.4-41.5175.8-171.270.9000110.7W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.43Å; W68-L222 VanDerWaalsContact CB-CD2 3.43Å; W68-L222 HydrophobicContact CD2-CD1 3.97Å; W68-L222 HydrophobicContact CD2-CD2 4.09Å; W68-L222 HydrophobicContact CE3-CD1 4.28Å; W68-L222 HydrophobicContact CE3-CD2 4.47Å; W68-L222 HydrophobicContact CG-CD1 4.12Å; W68-L222 HydrophobicContact CG-CD2 3.56Å; M115-L222 HydrophobicContact SD-CD1 4.09Å; V218-L222 PolarHBondContact O-N 3.38Å; V218-L222 VanDerWaalsContact O-N 3.08Å; S219-L222 WeakPolarHBondContact O-CB 3.47Å; S219-L222 PolarHBondContact O-N 3.31Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.19Å; L222-N225 PolarHBondContact O-N 3.39Å; L222-T226 HydrophobicContact CD1-CG2 4.19Å; L222-T226 HydrophobicContact CG-CG2 4.23Å; L222-T226 WeakPolarHBondContact O-CB 3.49Å; L222-T226 WeakPolarHBondContact O-CG2 3.36Å; L222-T226 PolarHBondContact O-N 2.79Å; L222-T226 VanDerWaalsContact O-N 3.1Å; L222-T226 PolarHBondContact O-OG1 3.28Å
223H79.4Confident81.3Confident81 Ų8132.4 Ų32.438%0.37517%0.171SC..Hα-helixtrans-59.1-51.5175.7-17485.2000111.8M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.43Å; M60-H223 PolarHBondContact O-ND1 3.26Å; S219-H223 PolarHBondContact O-N 3.49Å; L220-H223 WeakPolarHBondContact O-CA 3.3Å; L220-H223 WeakPolarHBondContact O-CB 3.27Å; L220-H223 PolarHBondContact O-N 3.47Å; L220-H223 VanDerWaalsContact O-N 3.09Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.24Å; H223-T226 PolarHBondContact O-N 2.97Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.42Å
224D75.7Confident80.7Confident73 Ų7331.5 Ų31.539%0.3916%0.163SC..Hα-helixtrans-61-31.1-179.2-65.1-16.1000112.5L220L220-D224 WeakPolarHBondContact CD2-OD2 3.4Å; L220-D224 PolarHBondContact O-N 3.38Å
225N71.4Confident80.3Confident30 Ų3034.1 Ų34.116%0.1618%0.177CC..Hα-helixtrans-90.5-4.1-180-75.4-73.7000114.4G116 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.22Å; G116-N225 WeakPolarHBondContact CA-O 3.46Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.4Å; Y221-N225 PolarHBondContact O-N 3.43Å; Y221-N225 VanDerWaalsContact O-N 3.11Å; Y221-N225 PolarHBondContact O-ND2 3.48Å; L222-N225 PolarHBondContact O-N 3.39Å; H223-N225 PolarHBondContact O-N 3.24Å
226T66.6Low79.5Confident29 Ų2937.2 Ų37.218%0.17819%0.193CC..  trans-108.30-178.156.40000114.8K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.38Å; K120-T226 PolarHBondContact NZ-O 3.4Å; K120-T226 PolarHBondContact NZ-OXT 2.92Å; L222-T226 HydrophobicContact CD1-CG2 4.19Å; L222-T226 HydrophobicContact CG-CG2 4.23Å; L222-T226 WeakPolarHBondContact O-CB 3.49Å; L222-T226 WeakPolarHBondContact O-CG2 3.36Å; L222-T226 PolarHBondContact O-N 2.79Å; L222-T226 VanDerWaalsContact O-N 3.1Å; L222-T226 PolarHBondContact O-OG1 3.28Å; H223-T226 PolarHBondContact O-N 2.97Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.42Å

Retrieved 226 of 226 residues in 210.1 ms (Link to these results)