A0A059QIY9_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB (A6YVS8), UniProt , Accession A0A059QIY9, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.3Low73.2Confident203 Ų20396.5 Ų96.5100%152%0.518SS*.  0-38.70-75.7175.1111.200112.7E3 N4M1-E3 PolarHBondContact O-N 3.41Å; M1-N4 PolarHBondContact O-N 3.34Å
2N52.5Low74Confident140 Ų14091.6 Ų91.675%0.74950%0.495SS*.THydrogen-bonded Turntrans-58.2-38.5-177.9-85.820000115.5
3E61Low74.9Confident162 Ų16292.2 Ų92.276%0.75750%0.504SS*.THydrogen-bonded Turntrans-81.1-18.5-178.3-60.9-145.1158.300114.2M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.41Å; E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.13Å; E3-F6 PolarHBondContact O-N 3.36Å; E3-A7 PolarHBondContact O-N 3.29Å; E3-A7 VanDerWaalsContact O-N 3.11Å
4N73.8Confident75.7Confident114 Ų11493.4 Ų93.461%0.6151%0.508SS*.THydrogen-bonded Turntrans-69.4-29.2-177.4-66.27.1000111.8M1 F6M1-N4 PolarHBondContact O-N 3.34Å; N4-F6 VanDerWaalsContact C-N 3.35Å
5L74Confident76.2Confident44 Ų4498.8 Ų98.823%0.2354%0.535CS..THydrogen-bonded Turntrans-68.6-35.3177.8-67.2177.2000112.2E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.13Å; L5-H172 VanDerWaalsContact CD2-CE1 3.4Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.29Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.49Å; L5-L173 HydrophobicContact CD1-CD2 4.13Å; L5-L173 HydrophobicContact CD2-CD2 4.37Å
6F81.2Confident76.6Confident116 Ų11697 Ų9751%0.50955%0.547SS..THydrogen-bonded Turntrans-93.4-9.4-177.2-67-76000113.6E3 N4 S8 F9 L169E3-F6 PolarHBondContact O-N 3.36Å; N4-F6 VanDerWaalsContact C-N 3.35Å; F6-S8 PolarHBondContact O-N 2.93Å; F6-S8 VanDerWaalsContact O-N 3.14Å; F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 PolarHBondContact O-N 3.36Å; F6-L169 HydrophobicContact CD1-CD2 4.44Å; F6-L169 HydrophobicContact CE1-CD1 4.13Å; F6-L169 HydrophobicContact CE1-CD2 4.08Å; F6-L169 HydrophobicContact CZ-CD2 4.47Å
7A79.1Confident77Confident54 Ų5498.8 Ų98.845%0.44655%0.553SS.*G310 helixtrans-54.7-33.6179.900000113E3 F9 I10E3-A7 PolarHBondContact O-N 3.29Å; E3-A7 VanDerWaalsContact O-N 3.11Å; A7-F9 PolarHBondContact O-N 3.01Å; A7-I10 PolarHBondContact O-N 3.47Å
8S79.1Confident77.4Confident40 Ų4098.1 Ų98.128%0.2855%0.554SS.*G310 helixtrans-69.2-18.3177.360.80000114.2F6 F92 H168F6-S8 PolarHBondContact O-N 2.93Å; F6-S8 VanDerWaalsContact O-N 3.14Å; S8-F92 WeakPolarHBondContact O-CD2 3.12Å; S8-H168 PolarHBondContact OG-CE1 3.43Å
9F81.9Confident77.8Confident19 Ų1993.8 Ų93.88%0.08353%0.532CS..G310 helixtrans-95.5-10.1178.4-57.8-69.2000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 PolarHBondContact O-N 3.36Å; A7-F9 PolarHBondContact O-N 3.01Å; F9-A11 PolarHBondContact O-N 2.96Å; F9-T96 HydrophobicContact CD1-CG2 3.86Å; F9-T96 HydrophobicContact CE1-CG2 3.75Å; F9-Q97 PolarHBondContact O-NE2 3.48Å; F9-T165 HydrophobicContact CD1-CG2 4.4Å; F9-T165 HydrophobicContact CE1-CG2 4.12Å; F9-H168 HydrophobicContact CE1-CB 4.26Å; F9-H168 HydrophobicContact CZ-CB 4.03Å; F9-H168 AromaticContact CZ-ND1 3.84Å; F9-L169 HydrophobicContact CE2-CD1 4.42Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.34Å; F9-L169 HydrophobicContact CZ-CG 3.92Å
10I84.2Confident78.1Confident117 Ų11790.1 Ų90.160%0.651%0.513SS*.SBendtrans-69.6130.4177.9-59.8175.2000108.4A7 P12A7-I10 PolarHBondContact O-N 3.47Å; I10-P12 WeakPolarHBondContact O-CD 3.38Å
11A82.8Confident78.4Confident52 Ų5288.2 Ų88.243%0.4351%0.509SS..PPolyproline II helixtrans-59.4121.2-179.700000110.1F9 T13F9-A11 PolarHBondContact O-N 2.96Å; A11-T13 PolarHBondContact O-N 2.99Å
12P82.9Confident79.9Confident38 Ų3884.8 Ų84.825%0.24749%0.494CS..PPolyproline II helixtrans-70.5126.6-174.526.5-32.8000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.38Å; P12-A19 HydrophobicContact CB-CB 4.25Å; P12-A19 HydrophobicContact CG-CB 4.36Å; P12-A19 WeakPolarHBondContact O-CB 3.35Å; P12-A19 PolarHBondContact O-N 3.45Å; P12-I23 HydrophobicContact CG-CD1 3.6Å; P12-F92 HydrophobicContact CG-CB 4.35Å; P12-F92 HydrophobicContact CG-CD1 4.1Å; P12-F92 HydrophobicContact CG-CG 4.06Å
13T86.1Confident81.5Confident99 Ų9980.5 Ų80.561%0.60747%0.471SS*.EExtended strand (participates in β ladder)trans-116.8125.5170.1540000108.5A11 L17A11-T13 PolarHBondContact O-N 2.99Å; T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.4Å
14I85.8Confident82.8Confident109 Ų10975.3 Ų75.356%0.55945%0.448SS*.EExtended strand (participates in β ladder)trans-110.2121.9176.1-65.4172.7000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 3.27Å; I14-G16 VanDerWaalsContact O-N 3.12Å; I14-L17 PolarHBondContact N-O 3.02Å; I14-L17 PolarHBondContact O-N 3.17Å; I14-A19 HydrophobicContact CB-CB 4.42Å; I14-A19 HydrophobicContact CD1-CB 3.83Å; I14-A19 HydrophobicContact CG1-CB 3.9Å
15L83.4Confident83.4Confident175 Ų17575.9 Ų75.992%0.91645%0.45SS*.THydrogen-bonded Turntrans53.831.9179.5-76.9137.1000113.7L17L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 3.45Å
16G82.6Confident84.1Confident70 Ų7078.3 Ų78.372%0.72246%0.459SS*.THydrogen-bonded Turntrans80.2-2.9-177.600000115.3I14I14-G16 PolarHBondContact O-N 3.27Å; I14-G16 VanDerWaalsContact O-N 3.12Å
17L83.2Confident84.4Confident127 Ų12773 Ų7367%0.66544%0.436SS*.EExtended strand (participates in β ladder)trans-92139.5172.5-67.9167.2000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.4Å; I14-L17 PolarHBondContact N-O 3.02Å; I14-L17 PolarHBondContact O-N 3.17Å; L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 3.45Å; L17-A19 PolarHBondContact O-N 3.1Å
18P83.9Confident84.6Confident86 Ų8673.7 Ų73.756%0.55844%0.436SS*.EExtended strand (participates in β ladder)trans-70.5101.5177.628.7-33.3000110.5A20 X21P18-A20 PolarHBondContact O-N 2.95Å; P18-A21 PolarHBondContact O-N 2.98Å
19A85Confident85Confident17 Ų1778.2 Ų78.214%0.1446%0.456CS..THydrogen-bonded Turntrans-68.9-17176.900000112.3P12 I14 L17 X21 L22 I23P12-A19 HydrophobicContact CB-CB 4.25Å; P12-A19 HydrophobicContact CG-CB 4.36Å; P12-A19 WeakPolarHBondContact O-CB 3.35Å; P12-A19 PolarHBondContact O-N 3.45Å; I14-A19 HydrophobicContact CB-CB 4.42Å; I14-A19 HydrophobicContact CD1-CB 3.83Å; I14-A19 HydrophobicContact CG1-CB 3.9Å; L17-A19 PolarHBondContact O-N 3.1Å; A19-A21 PolarHBondContact O-N 3.27Å; A19-L22 PolarHBondContact O-N 3.07Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A19-I23 PolarHBondContact O-N 2.84Å
20A85.1Confident85.3Confident19 Ų1980.8 Ų80.816%0.15747%0.47CS..Hα-helixtrans-53.1-35.7173.500000113.1P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.95Å; A20-L22 VanDerWaalsContact C-N 3.32Å; A20-L22 PolarHBondContact O-N 3.25Å; A20-I23 PolarHBondContact O-N 3.02Å; A20-I24 WeakPolarHBondContact O-CD1 2.93Å; A20-I24 VanDerWaalsContact O-CG1 3.24Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.49Å; A20-F92 HydrophobicContact CB-CE1 4.35Å
21X84Confident85.5Confident52 Ų5277.7 Ų77.743%0.4346%0.455SS..Hα-helixtrans-63-39.3178.700000112.2P18 A19 I23 I24 L25P18-A21 PolarHBondContact O-N 2.98Å; A19-A21 PolarHBondContact O-N 3.27Å; A21-I23 VanDerWaalsContact C-N 3.35Å; A21-I24 PolarHBondContact O-N 2.97Å; A21-L25 WeakPolarHBondContact O-CG 3.12Å; A21-L25 PolarHBondContact O-N 3.27Å; A21-L25 VanDerWaalsContact O-N 3.13Å
22L85.5Confident85.6Confident130 Ų13078 Ų7868%0.68145%0.452SS*.Hα-helixtrans-68.3-38.2178.2-167.6143.9000111.2A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.07Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A20-L22 VanDerWaalsContact C-N 3.32Å; A20-L22 PolarHBondContact O-N 3.25Å; L22-L25 PolarHBondContact O-N 3.3Å; L22-F26 PolarHBondContact O-N 3.01Å
23I87.4Confident85.8Confident51 Ų5182.7 Ų82.726%0.26248%0.48SS..Hα-helixtrans-65.8-40.9176.5-59.8169000110.8P12 A19 A20 X21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.6Å; A19-I23 PolarHBondContact O-N 2.84Å; A20-I23 PolarHBondContact O-N 3.02Å; A21-I23 VanDerWaalsContact C-N 3.35Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.45Å; I23-F26 WeakPolarHBondContact O-CB 3.29Å; I23-F26 PolarHBondContact O-N 3.45Å; I23-P27 VanDerWaalsContact O-CD 3.28Å; I23-P27 WeakPolarHBondContact O-CD 3.31Å; I23-F92 HydrophobicContact CD1-CB 4.05Å; I23-F92 HydrophobicContact CD1-CD1 3.92Å; I23-F92 HydrophobicContact CD1-CG 4.37Å; I23-F92 HydrophobicContact CG2-CD1 4.46Å
24I87.6Confident85.9Confident53 Ų5379.7 Ų79.727%0.27246%0.463SS..Hα-helixtrans-64.7-32.2176.6-68.3164.2000111.9A20 X21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 2.93Å; A20-I24 VanDerWaalsContact O-CG1 3.24Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.49Å; A21-I24 PolarHBondContact O-N 2.97Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.22Å; I24-F78 HydrophobicContact CG2-CZ 4.32Å; I24-P94 HydrophobicContact CD1-CB 4.32Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 4.09Å; I24-M100 HydrophobicContact CD1-CE 4.17Å; I24-M100 HydrophobicContact CD1-SD 3.62Å; I24-M100 HydrophobicContact CG1-CE 3.95Å; I24-M100 HydrophobicContact CG1-SD 3.93Å; I24-M100 HydrophobicContact CG2-CE 3.93Å
25L86.3Confident85.9Confident125 Ų12584.6 Ų84.665%0.65448%0.481SS*.Hα-helixtrans-81.2-11.2178.5-73.5168.9000114X21 L22 I23 P28A21-L25 WeakPolarHBondContact O-CG 3.12Å; A21-L25 PolarHBondContact O-N 3.27Å; A21-L25 VanDerWaalsContact O-N 3.13Å; L22-L25 PolarHBondContact O-N 3.3Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.45Å; L25-P28 WeakPolarHBondContact O-CD 3.46Å
26F88.2Confident86.1Confident96 Ų9685.1 Ų85.142%0.42147%0.472SS..Hα-helixtrans-70.7-43.4-176.8-169.2-94.3000114.8L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.01Å; I23-F26 WeakPolarHBondContact O-CB 3.29Å; I23-F26 PolarHBondContact O-N 3.45Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.25Å; F26-L29 PolarHBondContact O-N 2.9Å; F26-L30 HydrophobicContact CD1-CD1 4.39Å; F26-L30 HydrophobicContact CE1-CD1 4.17Å; F26-L30 HydrophobicContact CE1-CD2 4.18Å; F26-L30 HydrophobicContact CE1-CG 4.26Å; F26-L85 HydrophobicContact CD1-CD2 3.31Å; F26-L85 HydrophobicContact CE1-CD2 3.57Å
27P87.9Confident85.9Confident4 Ų490 Ų903%0.02648%0.48CS..Hα-helixtrans-57.1-42-179.7-13.418.2000115.3I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.28Å; I23-P27 WeakPolarHBondContact O-CD 3.31Å; I24-P27 WeakPolarHBondContact O-CD 3.22Å; P27-L29 PolarHBondContact O-N 3.18Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.5Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P27-T81 WeakPolarHBondContact CB-OG1 3.45Å; P27-T82 HydrophobicContact CB-CG2 4.19Å; P27-T82 HydrophobicContact CG-CG2 3.43Å; P27-T82 VanDerWaalsContact CG-CG2 3.43Å
28P84.4Confident86.1Confident69 Ų6991.4 Ų91.445%0.44849%0.487SS..Hα-helixtrans-55.6-32.7173.5-27.333.2000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.46Å; P28-L30 PolarHBondContact O-N 3.38Å; P28-I31 PolarHBondContact O-N 3.44Å
29L87.8Confident86.4Confident135 Ų13588.6 Ų88.671%0.70747%0.467SS*.Hα-helixtrans-67.6-24.4179.7-173.263.6000112.6F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.25Å; F26-L29 PolarHBondContact O-N 2.9Å; P27-L29 PolarHBondContact O-N 3.18Å; L29-I31 PolarHBondContact O-N 3.12Å
30L87.4Confident86.6Confident72 Ų7293.2 Ų93.238%0.37749%0.49SS..THydrogen-bonded Turntrans-75.3-6.3179.1-64.1172.1000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.39Å; F26-L30 HydrophobicContact CE1-CD1 4.17Å; F26-L30 HydrophobicContact CE1-CD2 4.18Å; F26-L30 HydrophobicContact CE1-CG 4.26Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.5Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P28-L30 PolarHBondContact O-N 3.38Å; L30-P32 WeakPolarHBondContact O-CD 3.5Å; L30-Q46 PolarHBondContact O-NE2 3.08Å; L30-Q46 VanDerWaalsContact O-NE2 3.13Å; L30-L85 HydrophobicContact CD1-CD1 3.34Å; L30-L85 HydrophobicContact CD1-CD2 3.95Å; L30-L85 HydrophobicContact CD1-CG 4.2Å
31I87.7Confident86.8Confident53 Ų53102.3 Ų102.327%0.27252%0.52SS..SBendtrans-110.579.5-178.1-53.9157.5000108.2P28 L29 T33 I77P28-I31 PolarHBondContact O-N 3.44Å; L29-I31 PolarHBondContact O-N 3.12Å; I31-T33 PolarHBondContact O-N 3.3Å; I31-I77 HydrophobicContact CD1-CG2 3.33Å; I31-I77 HydrophobicContact CG1-CG2 4.38Å
32P86.3Confident87.1Confident57 Ų57104 Ų10437%0.3752%0.521SS..  trans-68.2134.5179.127.5-33.7000110.8L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.5Å; P32-L42 HydrophobicContact CG-CD2 3.56Å; P32-I43 HydrophobicContact CB-CD1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.4Å; P32-I43 HydrophobicContact CG-CG1 4.01Å
33T86.6Confident87.4Confident137 Ų13798.6 Ų98.684%0.8449%0.493SS*.  trans-98.6134.6170.559.80000110.1I31I31-T33 PolarHBondContact O-N 3.3Å
34S87.4Confident87.6Confident36 Ų3699.2 Ų99.225%0.25250%0.499SS..  trans-115.9149.9170.656.60000111.5N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.25Å; S34-N39 PolarHBondContact OG-ND2 3.14Å; S34-N39 PolarHBondContact OG-OD1 3.49Å; S34-I43 WeakPolarHBondContact OG-CD1 3.49Å
35K85.9Confident87.8Confident213 Ų213100.7 Ų100.793%0.92651%0.511SS*.  trans-87.4-12.9177.4-62.9-179.4-179.21780113.2
36Y87.1Confident88Confident185 Ų18596.9 Ų96.973%0.72549%0.49SS*.SBendtrans-81.8154.4-174.5-60.6-72.8000111.9N39Y36-N39 VanDerWaalsContact O-CG 3.31Å; Y36-N39 PolarHBondContact O-ND2 3.08Å; Y36-N39 PolarHBondContact O-OD1 3.32Å
37L79.7Confident88.1Confident173 Ų17396.8 Ų96.891%0.90649%0.49SS*.SBendtrans-72.7-41.3176.1-173.669.8000111.4
38I86.3Confident88.4Confident156 Ų156104.4 Ų104.480%0.852%0.519SS*.SBendtrans-100.8114.8175-58.9169.8000107.3
39N90Very high88.7Confident27 Ų27105.7 Ų105.714%0.14452%0.521CS..  trans-110.5170.6-171.8-68-33.1000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.25Å; S34-N39 PolarHBondContact OG-ND2 3.14Å; S34-N39 PolarHBondContact OG-OD1 3.49Å; Y36-N39 VanDerWaalsContact O-CG 3.31Å; Y36-N39 PolarHBondContact O-ND2 3.08Å; Y36-N39 PolarHBondContact O-OD1 3.32Å; N39-I43 HydrophobicContact CB-CB 3.95Å; N39-I43 HydrophobicContact CB-CG2 3.87Å; N39-T44 HydrophobicContact CB-CG2 4.04Å; N39-Q47 PolarHBondContact ND2-NE2 3.31Å
40N89.9Confident88.9Confident114 Ų114101.9 Ų101.961%0.6150%0.501SS*.  trans-63151.6171.3-167.21.8000110.7L42 I43 T44N40-L42 PolarHBondContact O-N 3.45Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 HydrophobicContact CB-CD1 4.47Å; N40-I43 PolarHBondContact O-N 3.48Å; N40-T44 PolarHBondContact O-N 3.42Å
41R89.9Confident89.1Confident211 Ų211105.6 Ų105.680%0.79651%0.514SS*.Hα-helixtrans-51.3-38.4-179.1-64.6-177.8-178.7179.20.6112.9T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.27Å; R41-T44 PolarHBondContact O-N 2.96Å; R41-T44 PolarHBondContact O-OG1 3.35Å; R41-T45 WeakPolarHBondContact O-CG2 3.43Å; R41-T45 PolarHBondContact O-N 2.87Å; R41-T45 PolarHBondContact O-OG1 3.44Å
42L90.3Very high89.3Confident86 Ų86106.3 Ų106.345%0.4552%0.518SS..Hα-helixtrans-66.2-40.7177.9-178.3145.7000112.1P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.56Å; N40-L42 PolarHBondContact O-N 3.45Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-OG1 2.83Å; L42-Q46 HydrophobicContact CD2-CG 4.45Å; L42-Q46 WeakPolarHBondContact O-CB 3.31Å; L42-Q46 WeakPolarHBondContact O-CG 3.45Å; L42-Q46 PolarHBondContact O-N 2.98Å
43I91.7Very high89.4Confident18 Ų18104.8 Ų104.89%0.09251%0.508CS..Hα-helixtrans-72.1-37.2179.2-60.4174.7000110P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.4Å; P32-I43 HydrophobicContact CG-CG1 4.01Å; S34-I43 WeakPolarHBondContact OG-CD1 3.49Å; N39-I43 HydrophobicContact CB-CB 3.95Å; N39-I43 HydrophobicContact CB-CG2 3.87Å; N40-I43 HydrophobicContact CB-CD1 4.47Å; N40-I43 PolarHBondContact O-N 3.48Å; I43-Q46 PolarHBondContact O-N 3.34Å; I43-Q47 HydrophobicContact CG2-CG 4.23Å; I43-Q47 WeakPolarHBondContact O-CB 3.19Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.4Å; I43-Q47 PolarHBondContact O-N 2.85Å
44T91.7Very high89.6Confident63 Ų6399.7 Ų99.739%0.38748%0.478SS..Hα-helixtrans-67.4-39.9177.659.70000112.1N39 N40 R41 W48N39-T44 HydrophobicContact CB-CG2 4.04Å; N40-T44 PolarHBondContact O-N 3.42Å; R41-T44 WeakPolarHBondContact CA-OG1 3.27Å; R41-T44 PolarHBondContact O-N 2.96Å; R41-T44 PolarHBondContact O-OG1 3.35Å; T44-W48 VanDerWaalsContact O-CB 3.3Å; T44-W48 WeakPolarHBondContact O-CB 3.18Å; T44-W48 PolarHBondContact O-N 3.46Å
45T91.4Very high89.7Confident85 Ų85105.1 Ų105.152%0.52150%0.497SS..Hα-helixtrans-67.2-39.8174.256.70000112R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.43Å; R41-T45 PolarHBondContact O-N 2.87Å; R41-T45 PolarHBondContact O-OG1 3.44Å; L42-T45 PolarHBondContact O-OG1 2.83Å; T45-W48 PolarHBondContact O-N 2.94Å; T45-L49 WeakPolarHBondContact O-CB 3.3Å; T45-L49 PolarHBondContact O-N 3.14Å
46Q91.1Very high89.7Confident45 Ų45101 Ų10121%0.2148%0.481CS..Hα-helixtrans-61-49.8173.7-75.7175.6-13.100111.7L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.08Å; L30-Q46 VanDerWaalsContact O-NE2 3.13Å; L42-Q46 HydrophobicContact CD2-CG 4.45Å; L42-Q46 WeakPolarHBondContact O-CB 3.31Å; L42-Q46 WeakPolarHBondContact O-CG 3.45Å; L42-Q46 PolarHBondContact O-N 2.98Å; I43-Q46 PolarHBondContact O-N 3.34Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3.09Å; Q46-L49 PolarHBondContact O-N 3.15Å; Q46-I50 VanDerWaalsContact O-CG1 3.23Å; Q46-I50 WeakPolarHBondContact O-CG1 3.34Å; Q46-I50 PolarHBondContact O-N 2.99Å
47Q90.7Very high89.7Confident93 Ų9392.7 Ų92.744%0.43545%0.449SS..Hα-helixtrans-60.8-39.6177.6-74.5174.8-10.500112.1N39 I43 K51N39-Q47 PolarHBondContact ND2-NE2 3.31Å; I43-Q47 HydrophobicContact CG2-CG 4.23Å; I43-Q47 WeakPolarHBondContact O-CB 3.19Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.4Å; I43-Q47 PolarHBondContact O-N 2.85Å; Q47-K51 WeakPolarHBondContact O-CB 3.42Å; Q47-K51 PolarHBondContact O-N 3.37Å
48W92.4Very high90Very high165 Ų16585.4 Ų85.463%0.62541%0.41SS*.Hα-helixtrans-63.1-45.2175.2-18083.1000111.9T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.3Å; T44-W48 WeakPolarHBondContact O-CB 3.18Å; T44-W48 PolarHBondContact O-N 3.46Å; T45-W48 PolarHBondContact O-N 2.94Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3.09Å; W48-K51 PolarHBondContact O-N 3.15Å; W48-L52 HydrophobicContact CD2-CD1 3.76Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.5Å; W48-L52 HydrophobicContact CE3-CD1 3.8Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.35Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.62Å; W48-L52 WeakPolarHBondContact O-CG 3.22Å; W48-L52 PolarHBondContact O-N 2.79Å
49L91.4Very high89.9Confident95 Ų9582.3 Ų82.350%0.49740%0.399SS..Hα-helixtrans-63.3-44.5177.9-168140.7000111.7T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.3Å; T45-L49 PolarHBondContact O-N 3.14Å; Q46-L49 PolarHBondContact O-N 3.15Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.27Å; L49-L52 PolarHBondContact O-N 3.34Å; L49-T53 HydrophobicContact CD2-CG2 4.22Å; L49-T53 WeakPolarHBondContact O-CG2 3.25Å; L49-T53 PolarHBondContact O-N 3.31Å; L49-T53 PolarHBondContact O-OG1 2.71Å
50I91.7Very high89.4Confident55 Ų5587.4 Ų87.428%0.28242%0.423SS..Hα-helixtrans-60.7-41175.7-66.3170.5000111.4Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.23Å; Q46-I50 WeakPolarHBondContact O-CG1 3.34Å; Q46-I50 PolarHBondContact O-N 2.99Å; I50-T53 PolarHBondContact O-OG1 2.84Å; I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.37Å; I50-S54 PolarHBondContact O-N 3.27Å; I50-S54 PolarHBondContact O-OG 2.96Å; I50-V73 HydrophobicContact CG2-CG1 3.82Å; I50-I77 HydrophobicContact CD1-CD1 3.96Å; I50-I77 HydrophobicContact CG1-CD1 3.69Å
51K91.4Very high89Confident151 Ų15182.2 Ų82.266%0.65740%0.395SS*.Hα-helixtrans-65.8-38.4177.8-174.7176.4179.9178.50111.9Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.42Å; Q47-K51 PolarHBondContact O-N 3.37Å; W48-K51 PolarHBondContact O-N 3.15Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.27Å; K51-S54 WeakPolarHBondContact CA-OG 3.32Å; K51-S54 PolarHBondContact O-OG 3.11Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 3.33Å; K51-K55 PolarHBondContact O-N 3.25Å; K51-K55 VanDerWaalsContact O-N 3.09Å
52L92.1Very high88.6Confident68 Ų6877.3 Ų77.336%0.35639%0.385SS..Hα-helixtrans-68.2-49.7177.3-73.9178.2000112.2W48 L49 S54 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.76Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.5Å; W48-L52 HydrophobicContact CE3-CD1 3.8Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.35Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.62Å; W48-L52 WeakPolarHBondContact O-CG 3.22Å; W48-L52 PolarHBondContact O-N 2.79Å; L49-L52 PolarHBondContact O-N 3.34Å; L52-S54 PolarHBondContact O-N 3.42Å; L52-K55 PolarHBondContact O-N 2.92Å; L52-Q56 WeakPolarHBondContact O-CG 3.35Å; L52-Q56 PolarHBondContact O-N 3.36Å
53T89.1Confident88.2Confident24 Ų2478.8 Ų78.815%0.14740%0.398CS..Hα-helixtrans-63.2-45.1-178.455.50000111.2L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.22Å; L49-T53 WeakPolarHBondContact O-CG2 3.25Å; L49-T53 PolarHBondContact O-N 3.31Å; L49-T53 PolarHBondContact O-OG1 2.71Å; I50-T53 PolarHBondContact O-OG1 2.84Å; T53-K55 PolarHBondContact O-N 3.46Å; T53-Q56 PolarHBondContact O-N 3.09Å; T53-M57 WeakPolarHBondContact O-CG 3.43Å; T53-M57 PolarHBondContact O-N 3.36Å
54S89.6Confident87.6Confident30 Ų3083.8 Ų83.821%0.2142%0.419CS..Hα-helixtrans-61.7-42.3175.658.80000112.4I50 K51 L52 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.37Å; I50-S54 PolarHBondContact O-N 3.27Å; I50-S54 PolarHBondContact O-OG 2.96Å; K51-S54 WeakPolarHBondContact CA-OG 3.32Å; K51-S54 PolarHBondContact O-OG 3.11Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; L52-S54 PolarHBondContact O-N 3.42Å; S54-Q56 PolarHBondContact O-N 2.95Å; S54-M58 VanDerWaalsContact O-CB 3.24Å; S54-M58 WeakPolarHBondContact O-CB 3.47Å; S54-M58 WeakPolarHBondContact O-CG 3.42Å; S54-M58 PolarHBondContact O-N 3.3Å
55K89.8Confident87Confident151 Ų15180.8 Ų80.866%0.65740%0.4SS*.Hα-helixtrans-62-44.9176.7-175.2179.2177.6-175.60111.5K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 3.33Å; K51-K55 PolarHBondContact O-N 3.25Å; K51-K55 VanDerWaalsContact O-N 3.09Å; L52-K55 PolarHBondContact O-N 2.92Å; T53-K55 PolarHBondContact O-N 3.46Å; K55-T59 WeakPolarHBondContact O-CG2 3.36Å; K55-T59 PolarHBondContact O-N 3.32Å
56Q87.6Confident86.6Confident126 Ų12683.3 Ų83.359%0.58940%0.4SS*.Hα-helixtrans-69.3-38.9-178.5-73.9179.5-25.700113L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.35Å; L52-Q56 PolarHBondContact O-N 3.36Å; T53-Q56 PolarHBondContact O-N 3.09Å; S54-Q56 PolarHBondContact O-N 2.95Å; Q56-T59 PolarHBondContact O-OG1 3.19Å
57M85.4Confident86.4Confident11 Ų1186 Ų865%0.05442%0.42CS..Hα-helixtrans-74.4-36.7178.9-69.6-17217500112.5T53 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.43Å; T53-M57 PolarHBondContact O-N 3.36Å; M57-T59 PolarHBondContact O-N 3Å; M57-H61 PolarHBondContact O-ND1 3.47Å; M57-L72 HydrophobicContact SD-CB 4.49Å; M57-I76 HydrophobicContact CE-CB 4.5Å; M57-I76 HydrophobicContact CE-CD1 3.58Å; M57-Y212 HydrophobicContact CE-CD2 4.34Å; M57-Y212 HydrophobicContact CE-CE2 4.49Å; M57-T215 WeakPolarHBondContact CE-OG1 3.38Å
58M85.9Confident86.2Confident19 Ų1983.9 Ų83.99%0.09441%0.408CS..Hα-helixtrans-81.5-10.4-174.5-65-54.9121.400114.6S54 M60 H61 R66 S69 L72S54-M58 VanDerWaalsContact O-CB 3.24Å; S54-M58 WeakPolarHBondContact O-CB 3.47Å; S54-M58 WeakPolarHBondContact O-CG 3.42Å; S54-M58 PolarHBondContact O-N 3.3Å; M58-M60 PolarHBondContact O-N 2.88Å; M58-H61 PolarHBondContact O-N 3.35Å; M58-R66 HydrophobicContact CB-CG 4.44Å; M58-R66 HydrophobicContact SD-CB 4.49Å; M58-R66 HydrophobicContact SD-CG 4.17Å; M58-S69 VanDerWaalsContact SD-CB 3.56Å; M58-L72 HydrophobicContact CE-CB 4.46Å; M58-L72 HydrophobicContact CE-CD1 3.76Å
59T85.1Confident86Confident91 Ų9177.4 Ų77.456%0.55839%0.388SS*.THydrogen-bonded Turntrans-64-32.8174.350.50000112.1K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.36Å; K55-T59 PolarHBondContact O-N 3.32Å; Q56-T59 PolarHBondContact O-OG1 3.19Å; M57-T59 PolarHBondContact O-N 3Å; T59-H61 VanDerWaalsContact C-N 3.3Å; T59-H61 PolarHBondContact O-N 3.09Å
60M78.5Confident86Confident134 Ų13480 Ų8066%0.6640%0.401SS*.THydrogen-bonded Turntrans-76.6-14179.2-60.5-85.6103.800113M58 H223M58-M60 PolarHBondContact O-N 2.88Å; M60-H223 PolarHBondContact O-CE1 3.39Å; M60-H223 PolarHBondContact O-ND1 3.4Å
61H83.2Confident86Confident6 Ų680.3 Ų80.33%0.02840%0.402CS..  trans-109140.6-166.6-69.378.3000114.2M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.47Å; M58-H61 PolarHBondContact O-N 3.35Å; T59-H61 VanDerWaalsContact C-N 3.3Å; T59-H61 PolarHBondContact O-N 3.09Å; H61-R66 HydrophobicContact CB-CG 4.37Å; H61-R66 PolarHBondContact O-NE 3.35Å; H61-S219 PolarHBondContact NE2-O 3.21Å
62N81.1Confident85.9Confident107 Ų10773.1 Ų73.157%0.57237%0.371SS*.  trans-70.8170.7168.6-85.7-21.2000112.5K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 2.62Å; N62-G65 PolarHBondContact O-N 3.18Å; N62-R66 WeakPolarHBondContact O-CG 3.21Å; N62-R66 PolarHBondContact O-N 3.01Å
63T80.8Confident85.9Confident117 Ų11770.7 Ų70.772%0.71836%0.359SS*.THydrogen-bonded Turntrans-53.8-38-176.453.50000113.9
64K79.3Confident86Confident123 Ų12372.6 Ų72.654%0.53537%0.373SS..THydrogen-bonded Turntrans-67.7-45.7174.6-69.4-177.2-178.2176.30112.1N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 2.62Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.18Å; K64-T67 WeakPolarHBondContact O-CB 3.22Å; K64-T67 PolarHBondContact O-N 3.36Å; K64-T67 PolarHBondContact O-OG1 3.28Å
65G78.9Confident86.1Confident0 Ų072 Ų720%037%0.367CS..G310 helixtrans-63.3-32.3177.200000113N62 T67 W68N62-G65 PolarHBondContact O-N 3.18Å; G65-T67 PolarHBondContact O-N 3.36Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 WeakPolarHBondContact O-CB 3.45Å; G65-W68 PolarHBondContact O-N 2.81Å
66R84Confident86.2Confident139 Ų13965.6 Ų65.653%0.52534%0.34SS..G310 helixtrans-62.4-20.7175.9-71.3-179.9-174.1-174.71.2114.2M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.44Å; M58-R66 HydrophobicContact SD-CB 4.49Å; M58-R66 HydrophobicContact SD-CG 4.17Å; H61-R66 HydrophobicContact CB-CG 4.37Å; H61-R66 PolarHBondContact O-NE 3.35Å; N62-R66 WeakPolarHBondContact O-CG 3.21Å; N62-R66 PolarHBondContact O-N 3.01Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.18Å; R66-W68 PolarHBondContact O-N 3.39Å; R66-S69 WeakPolarHBondContact O-CB 3.02Å; R66-S69 PolarHBondContact O-N 3.15Å; R66-S69 VanDerWaalsContact O-N 3.12Å
67T86.7Confident86.4Confident101 Ų10161.1 Ų61.162%0.6232%0.32SS*.G310 helixtrans-63.9-24.9174.163.20000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.22Å; K64-T67 PolarHBondContact O-N 3.36Å; K64-T67 PolarHBondContact O-OG1 3.28Å; G65-T67 PolarHBondContact O-N 3.36Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 2.98Å
68W87Confident86.6Confident49 Ų4963 Ų6319%0.18633%0.328CS..G310 helixtrans-86.12177.5-73.649.1000113.3G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.45Å; G65-W68 PolarHBondContact O-N 2.81Å; R66-W68 PolarHBondContact O-N 3.39Å; W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.16Å; W68-M71 HydrophobicContact CD2-CE 3.89Å; W68-M71 HydrophobicContact CE3-CE 3.01Å; W68-M71 HydrophobicContact CE3-SD 4.39Å; W68-M71 HydrophobicContact CH2-CE 4.14Å; W68-M71 HydrophobicContact CZ3-CE 3.17Å; W68-M71 HydrophobicContact CZ3-SD 4.33Å; W68-M71 PolarHBondContact O-N 3.34Å; W68-L72 PolarHBondContact O-N 3.15Å; W68-M115 HydrophobicContact CZ2-SD 3.86Å; W68-M115 PolarHBondContact NE1-SD 2.91Å; W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.63Å; W68-L222 HydrophobicContact CD2-CD2 4.01Å; W68-L222 HydrophobicContact CD2-CG 4.49Å; W68-L222 HydrophobicContact CE3-CD1 3.69Å; W68-L222 HydrophobicContact CE3-CD2 4.18Å; W68-L222 HydrophobicContact CG-CD1 4.02Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; W68-L222 HydrophobicContact CZ3-CD1 4.22Å
69S88.1Confident86.9Confident29 Ų2962.1 Ų62.120%0.20332%0.324CS..Hα-helixtrans-53.7-45.8-178-179.70000112.5M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.56Å; R66-S69 WeakPolarHBondContact O-CB 3.02Å; R66-S69 PolarHBondContact O-N 3.15Å; R66-S69 VanDerWaalsContact O-N 3.12Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 2.98Å; S69-M71 VanDerWaalsContact C-N 3.27Å; S69-M71 PolarHBondContact O-N 2.92Å; S69-L72 PolarHBondContact O-N 2.91Å; S69-V73 WeakPolarHBondContact O-CB 3.22Å; S69-V73 WeakPolarHBondContact O-CG2 3.45Å; S69-V73 PolarHBondContact O-N 3.32Å
70L91.2Very high87.2Confident148 Ų14859.2 Ų59.278%0.77531%0.309SS*.Hα-helixtrans-58.8-41.7179.4-169.497.4000111.7W68 S74W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.16Å; L70-S74 WeakPolarHBondContact O-CB 3.39Å; L70-S74 PolarHBondContact O-N 3.02Å; L70-S74 PolarHBondContact O-OG 3.2Å
71M91.1Very high87.8Confident62 Ų6254.2 Ų54.231%0.30529%0.286SS..Hα-helixtrans-70.6-43.9-178.3-166.5-177.967.700111.4W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.89Å; W68-M71 HydrophobicContact CE3-CE 3.01Å; W68-M71 HydrophobicContact CE3-SD 4.39Å; W68-M71 HydrophobicContact CH2-CE 4.14Å; W68-M71 HydrophobicContact CZ3-CE 3.17Å; W68-M71 HydrophobicContact CZ3-SD 4.33Å; W68-M71 PolarHBondContact O-N 3.34Å; S69-M71 VanDerWaalsContact C-N 3.27Å; S69-M71 PolarHBondContact O-N 2.92Å; M71-V73 VanDerWaalsContact C-N 3.35Å; M71-V73 PolarHBondContact O-N 3.21Å; M71-S74 WeakPolarHBondContact CA-OG 3.31Å; M71-S74 PolarHBondContact O-N 3.08Å; M71-S74 PolarHBondContact O-OG 3.39Å; M71-L75 WeakPolarHBondContact O-CB 3.28Å; M71-L75 PolarHBondContact O-N 3.34Å; M71-L108 HydrophobicContact CE-CD2 3.3Å; M71-L108 HydrophobicContact CG-CD2 4.11Å; M71-L108 HydrophobicContact SD-CD2 3.45Å; M71-L108 WeakPolarHBondContact SD-CD2 3.43Å
72L90.6Very high88.1Confident1 Ų154.2 Ų54.21%0.00529%0.286CS..Hα-helixtrans-64.2-40.4177.6-71.1168.9000112.1M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.49Å; M58-L72 HydrophobicContact CE-CB 4.46Å; M58-L72 HydrophobicContact CE-CD1 3.76Å; W68-L72 PolarHBondContact O-N 3.15Å; S69-L72 PolarHBondContact O-N 2.91Å; L72-L75 PolarHBondContact O-N 2.93Å; L72-I76 PolarHBondContact O-N 3.02Å; L72-I76 VanDerWaalsContact O-N 3.08Å; L72-V218 HydrophobicContact CD2-CB 4.17Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å
73V91.6Very high88.6Confident16 Ų1649.2 Ų49.210%0.09726%0.26CS..Hα-helixtrans-69.1-43.2178.1172.20000111.6I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.82Å; S69-V73 WeakPolarHBondContact O-CB 3.22Å; S69-V73 WeakPolarHBondContact O-CG2 3.45Å; S69-V73 PolarHBondContact O-N 3.32Å; M71-V73 VanDerWaalsContact C-N 3.35Å; M71-V73 PolarHBondContact O-N 3.21Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.12Å; V73-I76 VanDerWaalsContact O-CG2 3.26Å; V73-I76 WeakPolarHBondContact O-CG2 3.45Å; V73-I77 HydrophobicContact CG1-CD1 3.77Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.41Å; V73-I77 WeakPolarHBondContact O-CG1 3.31Å; V73-I77 PolarHBondContact O-N 3.12Å
74S91.6Very high89Confident65 Ų6548 Ų4846%0.45525%0.249SC..Hα-helixtrans-64.3-39175.852.40000111.9L70 M71 I77 F78L70-S74 WeakPolarHBondContact O-CB 3.39Å; L70-S74 PolarHBondContact O-N 3.02Å; L70-S74 PolarHBondContact O-OG 3.2Å; M71-S74 WeakPolarHBondContact CA-OG 3.31Å; M71-S74 PolarHBondContact O-N 3.08Å; M71-S74 PolarHBondContact O-OG 3.39Å; S74-I77 PolarHBondContact O-N 3.34Å; S74-F78 VanDerWaalsContact O-CB 3.27Å; S74-F78 WeakPolarHBondContact O-CB 3.22Å; S74-F78 PolarHBondContact O-N 2.92Å
75L90.9Very high89.5Confident16 Ų1644 Ų448%0.08423%0.233CC..Hα-helixtrans-61.5-49.5177.3-17576.6000112.7M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.28Å; M71-L75 PolarHBondContact O-N 3.34Å; L72-L75 PolarHBondContact O-N 2.93Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.12Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 2.96Å; L75-F78 PolarHBondContact O-N 3.27Å; L75-I79 HydrophobicContact CD1-CD1 3.99Å; L75-I79 HydrophobicContact CG-CD1 3.91Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 2.95Å; L75-L108 HydrophobicContact CD1-CD1 3.49Å; L75-L108 VanDerWaalsContact CD1-CD1 3.49Å; L75-L108 HydrophobicContact CD2-CD1 3.74Å; L75-L108 HydrophobicContact CG-CD1 4.26Å; L75-F214 HydrophobicContact CD1-CE1 4.03Å; L75-F214 HydrophobicContact CD2-CD1 3.87Å; L75-F214 HydrophobicContact CD2-CE1 3.76Å; L75-F214 HydrophobicContact CG-CD1 4.29Å; L75-F214 HydrophobicContact CG-CE1 4.15Å; L75-T215 HydrophobicContact CB-CG2 4.11Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.75Å
76I91.5Very high89.8Confident17 Ų1744.2 Ų44.29%0.08723%0.234CC..Hα-helixtrans-63.4-41.1-179.1-170.5168.7000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.5Å; M57-I76 HydrophobicContact CE-CD1 3.58Å; L72-I76 PolarHBondContact O-N 3.02Å; L72-I76 VanDerWaalsContact O-N 3.08Å; V73-I76 VanDerWaalsContact O-CG2 3.26Å; V73-I76 WeakPolarHBondContact O-CG2 3.45Å; I76-A80 WeakPolarHBondContact O-CB 3.42Å; I76-A80 PolarHBondContact O-N 3.26Å; I76-A211 HydrophobicContact CG1-CB 4.45Å; I76-Y212 HydrophobicContact CD1-CD2 4.23Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 VanDerWaalsContact CB-CG2 3.5Å; I76-T215 HydrophobicContact CG1-CG2 4.16Å
77I91.4Very high89.9Confident33 Ų3339.6 Ų39.617%0.16922%0.22CC..Hα-helixtrans-66.5-42179.1-63.6164.5000110.3I31 I50 V73 S74 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.33Å; I31-I77 HydrophobicContact CG1-CG2 4.38Å; I50-I77 HydrophobicContact CD1-CD1 3.96Å; I50-I77 HydrophobicContact CG1-CD1 3.69Å; V73-I77 HydrophobicContact CG1-CD1 3.77Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.41Å; V73-I77 WeakPolarHBondContact O-CG1 3.31Å; V73-I77 PolarHBondContact O-N 3.12Å; S74-I77 PolarHBondContact O-N 3.34Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 2.96Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.47Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.39Å; I77-T81 PolarHBondContact O-N 2.79Å; I77-T81 PolarHBondContact O-OG1 3.36Å
78F91.1Very high90Very high51 Ų5139.4 Ų39.422%0.22422%0.215CC..Hα-helixtrans-63.4-48.8178.9-179.8-104.6000112.3I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.32Å; S74-F78 VanDerWaalsContact O-CB 3.27Å; S74-F78 WeakPolarHBondContact O-CB 3.22Å; S74-F78 PolarHBondContact O-N 2.92Å; L75-F78 PolarHBondContact O-N 3.27Å; F78-T81 PolarHBondContact O-OG1 3.4Å; F78-T81 VanDerWaalsContact O-OG1 3.11Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.27Å; F78-T82 HydrophobicContact CE2-CG2 3.95Å; F78-T82 HydrophobicContact CZ-CG2 3.92Å; F78-T82 WeakPolarHBondContact O-CB 3.02Å; F78-T82 WeakPolarHBondContact O-CG2 3.22Å; F78-T82 PolarHBondContact O-N 3.32Å; F78-T82 PolarHBondContact O-OG1 3.31Å; F78-M100 HydrophobicContact CE1-CE 3.82Å; F78-M100 HydrophobicContact CZ-CE 3.62Å; F78-M104 HydrophobicContact CD1-SD 3.96Å; F78-M104 HydrophobicContact CE1-CE 3.82Å; F78-M104 HydrophobicContact CE1-SD 3.69Å
79I91.1Very high89.7Confident0 Ų042.5 Ų42.50%024%0.241CC..Hα-helixtrans-68-42.1-179.7-59.9169.1000110.5L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 3.99Å; L75-I79 HydrophobicContact CG-CD1 3.91Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 2.95Å; I79-T81 PolarHBondContact O-N 3.42Å; I79-T82 WeakPolarHBondContact CA-OG1 3.27Å; I79-T82 PolarHBondContact O-OG1 3.32Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.3Å; I79-N83 WeakPolarHBondContact O-CB 3.49Å; I79-N83 PolarHBondContact O-N 3.05Å; I79-N83 PolarHBondContact O-ND2 3.49Å; I79-N83 PolarHBondContact O-OD1 3.27Å; I79-L160 HydrophobicContact CG2-CD1 4.03Å; I79-L160 HydrophobicContact CG2-CD2 4.13Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.33Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.65Å; I79-F214 HydrophobicContact CD1-CG 3.72Å; I79-F214 HydrophobicContact CD1-CZ 4.27Å
80A90.6Very high89.5Confident29 Ų2950.5 Ų50.524%0.2428%0.275CS..Hα-helixtrans-63.1-44.117900000112I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.42Å; I76-A80 PolarHBondContact O-N 3.26Å; A80-L84 VanDerWaalsContact O-CB 3.27Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 3.44Å; A80-A211 HydrophobicContact CB-CB 3.92Å
81T91.1Very high89.1Confident30 Ų3044.9 Ų44.918%0.18425%0.248CC..Hα-helixtrans-69.8-43.4-179.8520000112.2P27 I77 F78 I79 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.45Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.47Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.39Å; I77-T81 PolarHBondContact O-N 2.79Å; I77-T81 PolarHBondContact O-OG1 3.36Å; F78-T81 PolarHBondContact O-OG1 3.4Å; F78-T81 VanDerWaalsContact O-OG1 3.11Å; I79-T81 PolarHBondContact O-N 3.42Å; T81-L84 PolarHBondContact O-N 3.33Å; T81-L85 WeakPolarHBondContact O-CB 3.43Å; T81-L85 WeakPolarHBondContact O-CD1 3.07Å; T81-L85 PolarHBondContact O-N 3.47Å
82T90.8Very high88.7Confident5 Ų543.3 Ų43.33%0.03124%0.239CC..Hα-helixtrans-61.5-43.8176.247.60000112.4P27 F78 I79 G86 P94P27-T82 HydrophobicContact CB-CG2 4.19Å; P27-T82 HydrophobicContact CG-CG2 3.43Å; P27-T82 VanDerWaalsContact CG-CG2 3.43Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.27Å; F78-T82 HydrophobicContact CE2-CG2 3.95Å; F78-T82 HydrophobicContact CZ-CG2 3.92Å; F78-T82 WeakPolarHBondContact O-CB 3.02Å; F78-T82 WeakPolarHBondContact O-CG2 3.22Å; F78-T82 PolarHBondContact O-N 3.32Å; F78-T82 PolarHBondContact O-OG1 3.31Å; I79-T82 WeakPolarHBondContact CA-OG1 3.27Å; I79-T82 PolarHBondContact O-OG1 3.32Å; T82-G86 PolarHBondContact O-N 3.03Å; T82-G86 VanDerWaalsContact O-N 3.09Å; T82-P94 HydrophobicContact CG2-CG 4.48Å
83N90.9Very high88.4Confident2 Ų243.5 Ų43.51%0.01124%0.24CC..Hα-helixtrans-67.6-42.5178.7-67-11.2000112I79 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.3Å; I79-N83 WeakPolarHBondContact O-CB 3.49Å; I79-N83 PolarHBondContact O-N 3.05Å; I79-N83 PolarHBondContact O-ND2 3.49Å; I79-N83 PolarHBondContact O-OD1 3.27Å; N83-G86 WeakPolarHBondContact O-CA 3.42Å; N83-G86 PolarHBondContact O-N 2.96Å; N83-G86 VanDerWaalsContact O-N 3.12Å; N83-L87 PolarHBondContact O-N 3.43Å; N83-T95 WeakPolarHBondContact OD1-CB 3.43Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.19Å; N83-T95 PolarHBondContact OD1-OG1 2.94Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.24Å; N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-I164 VanDerWaalsContact CG-CD1 3.41Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.27Å; N83-A207 HydrophobicContact CB-CB 3.93Å; N83-A207 PolarHBondContact ND2-O 2.87Å
84L89.7Confident88Confident93 Ų9343.1 Ų43.149%0.48724%0.238SC..Hα-helixtrans-67.5-41.4-179.2-164.5110000111.8A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.27Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 3.44Å; T81-L84 PolarHBondContact O-N 3.33Å; L84-G86 PolarHBondContact O-N 3.47Å; L84-L87 PolarHBondContact O-N 3.48Å; L84-I204 HydrophobicContact CD1-CG2 4.46Å
85L89.8Confident87.7Confident39 Ų3940 Ų4020%0.20422%0.217CC..Hα-helixtrans-60.7-32.2172.2-9881.2000112.1F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.31Å; F26-L85 HydrophobicContact CE1-CD2 3.57Å; L30-L85 HydrophobicContact CD1-CD1 3.34Å; L30-L85 HydrophobicContact CD1-CD2 3.95Å; L30-L85 HydrophobicContact CD1-CG 4.2Å; T81-L85 WeakPolarHBondContact O-CB 3.43Å; T81-L85 WeakPolarHBondContact O-CD1 3.07Å; T81-L85 PolarHBondContact O-N 3.47Å; L85-L87 PolarHBondContact O-N 3.33Å; L85-L88 HydrophobicContact CG-CD1 4.39Å; L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.47Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.34Å; L85-L88 PolarHBondContact O-N 3.12Å; L85-L88 VanDerWaalsContact O-N 3.12Å; L85-S91 PolarHBondContact O-OG 2.84Å
86G85.6Confident87.4Confident3 Ų339.7 Ų39.73%0.03122%0.215CC..THydrogen-bonded Turntrans-63-21.1178.400000117.4T82 N83 L84 L88 S91T82-G86 PolarHBondContact O-N 3.03Å; T82-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 WeakPolarHBondContact O-CA 3.42Å; N83-G86 PolarHBondContact O-N 2.96Å; N83-G86 VanDerWaalsContact O-N 3.12Å; L84-G86 PolarHBondContact O-N 3.47Å; G86-L88 VanDerWaalsContact C-N 3.26Å; G86-S91 VanDerWaalsContact C-OG 3.29Å; G86-S91 WeakPolarHBondContact CA-OG 3.46Å; G86-S91 PolarHBondContact O-OG 2.89Å; G86-S91 VanDerWaalsContact O-OG 3.07Å
87L86.6Confident87.3Confident43 Ų4342.1 Ų42.123%0.22523%0.226CC..THydrogen-bonded Turntrans-84.6-5.5177.5-59.9175.9000112N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.43Å; L84-L87 PolarHBondContact O-N 3.48Å; L85-L87 PolarHBondContact O-N 3.33Å; L87-M171 HydrophobicContact CD2-CE 4.04Å; L87-E203 HydrophobicContact CD1-CG 4.45Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L87.4Confident87.1Confident97 Ų9743.7 Ų43.751%0.50824%0.235SC..SBendtrans-68.2142.8174.2-65.2172.6000110.3L85 G86 H90 S91L85-L88 HydrophobicContact CG-CD1 4.39Å; L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.47Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.34Å; L85-L88 PolarHBondContact O-N 3.12Å; L85-L88 VanDerWaalsContact O-N 3.12Å; G86-L88 VanDerWaalsContact C-N 3.26Å; L88-H90 PolarHBondContact O-N 3.04Å; L88-S91 WeakPolarHBondContact O-CB 3.32Å; L88-S91 PolarHBondContact O-N 3.28Å; L88-S91 VanDerWaalsContact O-N 3.13Å; L88-S91 PolarHBondContact O-OG 3.37Å
89P82.1Confident86.9Confident114 Ų11445.4 Ų45.474%0.7425%0.253SS*.THydrogen-bonded Turntrans-58.9134.3-179.125-34000110.7S91P89-S91 PolarHBondContact O-N 3.15Å; P89-S91 VanDerWaalsContact O-N 3.14Å
90H82.2Confident86.7Confident197 Ų19746.9 Ų46.991%0.91226%0.26SS*.THydrogen-bonded Turntrans58.418.4-178.9-56.9-64.2000115.6L88L88-H90 PolarHBondContact O-N 3.04Å
91S84.1Confident86.6Confident29 Ų2945.5 Ų45.520%0.20325%0.249CC..  trans-80.9139.9171.669.50000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.84Å; G86-S91 VanDerWaalsContact C-OG 3.29Å; G86-S91 WeakPolarHBondContact CA-OG 3.46Å; G86-S91 PolarHBondContact O-OG 2.89Å; G86-S91 VanDerWaalsContact O-OG 3.07Å; L88-S91 WeakPolarHBondContact O-CB 3.32Å; L88-S91 PolarHBondContact O-N 3.28Å; L88-S91 VanDerWaalsContact O-N 3.13Å; L88-S91 PolarHBondContact O-OG 3.37Å; P89-S91 PolarHBondContact O-N 3.15Å; P89-S91 VanDerWaalsContact O-N 3.14Å
92F82.4Confident86.4Confident30 Ų3046.2 Ų46.213%0.13225%0.251CS..  trans-87.6124170.1172-95.6000109.3S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.12Å; P12-F92 HydrophobicContact CG-CB 4.35Å; P12-F92 HydrophobicContact CG-CD1 4.1Å; P12-F92 HydrophobicContact CG-CG 4.06Å; A20-F92 HydrophobicContact CB-CE1 4.35Å; I23-F92 HydrophobicContact CD1-CB 4.05Å; I23-F92 HydrophobicContact CD1-CD1 3.92Å; I23-F92 HydrophobicContact CD1-CG 4.37Å; I23-F92 HydrophobicContact CG2-CD1 4.46Å; F92-P94 HydrophobicContact CE1-CB 4.4Å; F92-P94 WeakPolarHBondContact O-CD 3.09Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å
93T83.9Confident86.3Confident4 Ų449.3 Ų49.33%0.02528%0.277CS..  trans-93.4111.8178.128.30000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 3.13Å; T93-T96 PolarHBondContact O-N 3.37Å; T93-T96 PolarHBondContact O-OG1 3.32Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.12Å; T93-I164 HydrophobicContact CG2-CG2 4.27Å
94P82.7Confident86.1Confident9 Ų950.7 Ų50.76%0.05828%0.284CS..G310 helixtrans-65-24177.326.8-33.8000112.7I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.32Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 4.09Å; T82-P94 HydrophobicContact CG2-CG 4.48Å; F92-P94 HydrophobicContact CE1-CB 4.4Å; F92-P94 WeakPolarHBondContact O-CD 3.09Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.42Å; P94-Q97 PolarHBondContact O-N 3.3Å; P94-M100 HydrophobicContact CB-CE 4.18Å; P94-M100 HydrophobicContact CB-SD 3.67Å; P94-M100 HydrophobicContact CG-CE 4.47Å; P94-M100 WeakPolarHBondContact O-CB 3.38Å
95T85.4Confident85.9Confident0 Ų046.4 Ų46.40%026%0.262CS..G310 helixtrans-75.3-7.6178.851.50000114.5N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.43Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.19Å; N83-T95 PolarHBondContact OD1-OG1 2.94Å; T93-T95 PolarHBondContact O-N 3.13Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.45Å; T95-N101 PolarHBondContact O-OD1 2.91Å; T95-L160 HydrophobicContact CG2-CD2 4.46Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.21Å
96T85.6Confident85.8Confident9 Ų948.3 Ų48.36%0.05527%0.272CS..G310 helixtrans-74.4-26.517056.70000112.5F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.86Å; F9-T96 HydrophobicContact CE1-CG2 3.75Å; T93-T96 PolarHBondContact O-N 3.37Å; T93-T96 PolarHBondContact O-OG1 3.32Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.12Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.42Å; T96-L98 PolarHBondContact O-N 3.22Å; T96-T161 WeakPolarHBondContact O-CG2 3.48Å; T96-I164 HydrophobicContact CG2-CB 4.34Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; T96-T165 HydrophobicContact CG2-CG2 3.72Å
97Q88.8Confident86Confident68 Ų6852 Ų5232%0.31830%0.295SS..SBendtrans-78.4120178.5-66.3-63.7-29.500109.8F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.48Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å; P94-Q97 PolarHBondContact O-N 3.3Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.48Å; Q97-M100 PolarHBondContact O-N 2.91Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; Q97-N101 PolarHBondContact O-N 3.15Å
98L86.6Confident86.1Confident66 Ų6650.9 Ų50.935%0.34629%0.289SS..Hα-helixtrans-57.7-33.8178.7-177.463.9000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.22Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.37Å; L98-N101 PolarHBondContact O-N 3.41Å; L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 2.96Å; L98-M154 HydrophobicContact CD2-CE 4.09Å; L98-A157 HydrophobicContact CD1-CB 4.32Å; L98-V158 HydrophobicContact CD1-CG2 3.95Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å
99S87.9Confident86Confident86 Ų8648 Ų4860%0.60127%0.272SS*.Hα-helixtrans-56-43.4176.655.80000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.48Å; S99-A103 WeakPolarHBondContact O-CB 3.5Å; S99-A103 PolarHBondContact O-N 3.23Å
100M87.3Confident86.2Confident31 Ų3143.9 Ų43.915%0.15325%0.247CC..Hα-helixtrans-68.2-46.4-179.2-178.8126175.600111.6I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-CE 4.17Å; I24-M100 HydrophobicContact CD1-SD 3.62Å; I24-M100 HydrophobicContact CG1-CE 3.95Å; I24-M100 HydrophobicContact CG1-SD 3.93Å; I24-M100 HydrophobicContact CG2-CE 3.93Å; F78-M100 HydrophobicContact CE1-CE 3.82Å; F78-M100 HydrophobicContact CZ-CE 3.62Å; P94-M100 HydrophobicContact CB-CE 4.18Å; P94-M100 HydrophobicContact CB-SD 3.67Å; P94-M100 HydrophobicContact CG-CE 4.47Å; P94-M100 WeakPolarHBondContact O-CB 3.38Å; Q97-M100 PolarHBondContact O-N 2.91Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.37Å; M100-L102 VanDerWaalsContact C-N 3.32Å; M100-L102 PolarHBondContact O-N 3.01Å; M100-A103 PolarHBondContact O-N 3.18Å; M100-M104 HydrophobicContact CB-CE 4.47Å; M100-M104 HydrophobicContact CE-CE 3.56Å; M100-M104 HydrophobicContact CG-CE 3.28Å; M100-M104 PolarHBondContact O-N 2.97Å; M100-M104 VanDerWaalsContact O-N 3.09Å; M100-M104 HydrophobicContact SD-CE 4.29Å
101N88.2Confident86.4Confident1 Ų135.6 Ų35.61%0.00522%0.215CC..Hα-helixtrans-67.7-36.8-178.9-66.1-8.6000111.6T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.45Å; T95-N101 PolarHBondContact O-OD1 2.91Å; Q97-N101 PolarHBondContact O-N 3.15Å; L98-N101 PolarHBondContact O-N 3.41Å; N101-M104 PolarHBondContact O-N 2.97Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.41Å; N101-A105 PolarHBondContact O-N 2.84Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 3.07Å; N101-L160 HydrophobicContact CB-CD2 4.33Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 3.38Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.48Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.46Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.32Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.16Å; N101-T161 PolarHBondContact ND2-N 3.42Å
102L86.3Confident86.3Confident45 Ų4534.3 Ų34.324%0.23621%0.206CC..Hα-helixtrans-70.1-38.7177.3-157.469.7000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 2.96Å; M100-L102 VanDerWaalsContact C-N 3.32Å; M100-L102 PolarHBondContact O-N 3.01Å; L102-M104 PolarHBondContact O-N 3.18Å; L102-A105 PolarHBondContact O-N 3.07Å; L102-I106 HydrophobicContact CD1-CD1 4.03Å; L102-I106 HydrophobicContact CD1-CG1 4.14Å; L102-I106 HydrophobicContact CD2-CD1 3.97Å; L102-I106 HydrophobicContact CG-CD1 3.56Å; L102-I106 HydrophobicContact CG-CG1 4.02Å; L102-I106 WeakPolarHBondContact O-CG1 3.37Å; L102-I106 PolarHBondContact O-N 2.69Å; L102-M154 HydrophobicContact CD1-SD 3.39Å; L102-M154 WeakPolarHBondContact CD1-SD 3.43Å; L102-M154 HydrophobicContact CD2-SD 4.27Å; L102-M154 HydrophobicContact CG-SD 4.49Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 3.85Å
103A88.9Confident86.4Confident70 Ų7033.5 Ų33.558%0.57920%0.203SC*.Hα-helixtrans-63-28.7173.100000113S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.5Å; S99-A103 PolarHBondContact O-N 3.23Å; M100-A103 PolarHBondContact O-N 3.18Å; A103-P107 WeakPolarHBondContact O-CD 3.41Å; A103-P107 WeakPolarHBondContact O-CG 3.37Å
104M85.8Confident86.4Confident31 Ų3138 Ų3815%0.15323%0.226CC..Hα-helixtrans-80-45.5171-71.2-175.9-111.600112.4F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.96Å; F78-M104 HydrophobicContact CE1-CE 3.82Å; F78-M104 HydrophobicContact CE1-SD 3.69Å; M100-M104 HydrophobicContact CB-CE 4.47Å; M100-M104 HydrophobicContact CE-CE 3.56Å; M100-M104 HydrophobicContact CG-CE 3.28Å; M100-M104 PolarHBondContact O-N 2.97Å; M100-M104 VanDerWaalsContact O-N 3.09Å; M100-M104 HydrophobicContact SD-CE 4.29Å; N101-M104 PolarHBondContact O-N 2.97Å; L102-M104 PolarHBondContact O-N 3.18Å; M104-L108 WeakPolarHBondContact O-CD1 3.39Å; M104-L108 VanDerWaalsContact O-CG 3.28Å; M104-L108 WeakPolarHBondContact O-CG 3.43Å
105A86.9Confident86.3Confident2 Ų239.8 Ų39.82%0.01723%0.234CC..Hα-helixtrans-70.6-45-171.500000113.3N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.41Å; N101-A105 PolarHBondContact O-N 2.84Å; L102-A105 PolarHBondContact O-N 3.07Å; A105-L108 PolarHBondContact O-N 3.28Å; A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.28Å; A105-W109 PolarHBondContact O-N 3.21Å; A105-L156 HydrophobicContact CB-CD2 4.23Å; A105-A157 HydrophobicContact CB-CB 4.25Å; A105-F214 HydrophobicContact CB-CE2 4.39Å; A105-F214 HydrophobicContact CB-CZ 4.2Å
106I88.1Confident85.9Confident80 Ų8039.9 Ų39.941%0.4124%0.235SC..Hα-helixtrans-62.3-50-175-66.4175.9000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 4.03Å; L102-I106 HydrophobicContact CD1-CG1 4.14Å; L102-I106 HydrophobicContact CD2-CD1 3.97Å; L102-I106 HydrophobicContact CG-CD1 3.56Å; L102-I106 HydrophobicContact CG-CG1 4.02Å; L102-I106 WeakPolarHBondContact O-CG1 3.37Å; L102-I106 PolarHBondContact O-N 2.69Å; I106-L108 PolarHBondContact O-N 3.08Å; I106-W109 PolarHBondContact O-N 2.9Å; I106-A110 WeakPolarHBondContact O-CB 3.37Å; I106-A110 PolarHBondContact O-N 3.13Å
107P89.4Confident85.5Confident80 Ų8043.2 Ų43.252%0.51925%0.249SC..Hα-helixtrans-65-38-178.8-24.236.6000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.41Å; A103-P107 WeakPolarHBondContact O-CG 3.37Å; P107-G111 PolarHBondContact O-N 2.86Å
108L87.7Confident84.9Confident19 Ų1950.2 Ų50.210%0.09927%0.272CS..Hα-helixtrans-64.9-47.1178.2-72.2168.9000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.3Å; M71-L108 HydrophobicContact CG-CD2 4.11Å; M71-L108 HydrophobicContact SD-CD2 3.45Å; M71-L108 WeakPolarHBondContact SD-CD2 3.43Å; L75-L108 HydrophobicContact CD1-CD1 3.49Å; L75-L108 VanDerWaalsContact CD1-CD1 3.49Å; L75-L108 HydrophobicContact CD2-CD1 3.74Å; L75-L108 HydrophobicContact CG-CD1 4.26Å; M104-L108 WeakPolarHBondContact O-CD1 3.39Å; M104-L108 VanDerWaalsContact O-CG 3.28Å; M104-L108 WeakPolarHBondContact O-CG 3.43Å; A105-L108 PolarHBondContact O-N 3.28Å; I106-L108 PolarHBondContact O-N 3.08Å; L108-G111 PolarHBondContact O-N 3.09Å; L108-A112 PolarHBondContact O-N 3.42Å; L108-A112 VanDerWaalsContact O-N 3.09Å; L108-F214 HydrophobicContact CD1-CE1 4.13Å; L108-V218 HydrophobicContact CB-CG1 4.33Å
109W86.4Confident84.1Confident38 Ų3849.2 Ų49.214%0.14427%0.271CS..Hα-helixtrans-64.1-47.7176.3172.189.5000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.28Å; A105-W109 PolarHBondContact O-N 3.21Å; I106-W109 PolarHBondContact O-N 2.9Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.23Å; W109-A112 PolarHBondContact O-N 3.4Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.45Å; W109-V113 HydrophobicContact CZ2-CG2 3.94Å; W109-V113 WeakPolarHBondContact O-CG2 3.43Å; W109-V113 PolarHBondContact O-N 3.13Å; W109-L149 HydrophobicContact CH2-CD2 4.08Å; W109-L149 HydrophobicContact CZ2-CD2 3.43Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.43Å; W109-L149 HydrophobicContact CZ2-CG 3.82Å; W109-L149 VanDerWaalsContact CZ2-O 3.25Å; W109-L149 WeakPolarHBondContact CZ2-O 3.18Å; W109-L149 PolarHBondContact NE1-O 3.25Å; W109-L150 HydrophobicContact CH2-CD2 3.78Å; W109-L150 HydrophobicContact CZ2-CD2 4.33Å; W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.42Å; W109-P153 HydrophobicContact CD2-CB 4.27Å; W109-P153 HydrophobicContact CD2-CG 3.79Å; W109-P153 HydrophobicContact CE3-CG 4.27Å; W109-P153 HydrophobicContact CG-CB 3.85Å; W109-P153 HydrophobicContact CG-CG 3.84Å
110A85.7Confident83.2Confident27 Ų2749.7 Ų49.722%0.22326%0.262CS..Hα-helixtrans-60.5-41179.200000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.37Å; I106-A110 PolarHBondContact O-N 3.13Å; A110-V113 PolarHBondContact O-N 3.25Å; A110-I114 HydrophobicContact CB-CD1 4.5Å; A110-I114 VanDerWaalsContact O-CB 3.29Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.27Å; A110-I114 WeakPolarHBondContact O-CG1 3.44Å; A110-I114 PolarHBondContact O-N 3.4Å
111G85.6Confident82.2Confident23 Ų2353.5 Ų53.524%0.23728%0.282CS..Hα-helixtrans-60.2-44.6174.900000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.86Å; L108-G111 PolarHBondContact O-N 3.09Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.23Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.47Å; G111-M115 PolarHBondContact O-N 3.29Å
112A83.6Confident81Confident1 Ų162.3 Ų62.31%0.00832%0.32CS..Hα-helixtrans-63.6-45.9177.100000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.42Å; L108-A112 VanDerWaalsContact O-N 3.09Å; W109-A112 PolarHBondContact O-N 3.4Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.14Å; A112-G116 PolarHBondContact O-N 2.69Å; A112-L222 HydrophobicContact CB-CD1 4.49Å
113V82.9Confident80Confident14 Ų1465.1 Ų65.19%0.08534%0.336CS..Hα-helixtrans-64.7-46.4178.8172.70000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.45Å; W109-V113 HydrophobicContact CZ2-CG2 3.94Å; W109-V113 WeakPolarHBondContact O-CG2 3.43Å; W109-V113 PolarHBondContact O-N 3.13Å; A110-V113 PolarHBondContact O-N 3.25Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.32Å; V113-G116 PolarHBondContact O-N 3.21Å; V113-G116 VanDerWaalsContact O-N 3.15Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.03Å; V113-F117 PolarHBondContact O-N 3.21Å
114I84.2Confident78.8Confident97 Ų9762.6 Ų62.650%0.49732%0.315SS..Hα-helixtrans-61.3-39176.8-68.4163.6000110.6A110 G116 F117 R118A110-I114 HydrophobicContact CB-CD1 4.5Å; A110-I114 VanDerWaalsContact O-CB 3.29Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.27Å; A110-I114 WeakPolarHBondContact O-CG1 3.44Å; A110-I114 PolarHBondContact O-N 3.4Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 2.78Å; I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.33Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.37Å; I114-R118 PolarHBondContact O-N 3.01Å
115M81.3Confident77.8Confident48 Ų4865.6 Ų65.624%0.23633%0.331CS..Hα-helixtrans-65.7-37.7176.3-170.3169-176.500112.2W68 G111 A112 V113 R118 S119 L222W68-M115 HydrophobicContact CZ2-SD 3.86Å; W68-M115 PolarHBondContact NE1-SD 2.91Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.47Å; G111-M115 PolarHBondContact O-N 3.29Å; A112-M115 PolarHBondContact O-N 3.14Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.32Å; M115-R118 PolarHBondContact O-N 3.01Å; M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 2.91Å; M115-S119 PolarHBondContact O-OG 3.11Å; M115-S119 VanDerWaalsContact O-OG 3.08Å; M115-L222 HydrophobicContact SD-CD1 4.25Å
116G76.1Confident76.6Confident1 Ų168.1 Ų68.11%0.0135%0.352CS..Hα-helixtrans-62-50.6172.800000112.8A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 2.69Å; V113-G116 PolarHBondContact O-N 3.21Å; V113-G116 VanDerWaalsContact O-N 3.15Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.11Å; G116-S119 PolarHBondContact O-N 3.29Å; G116-S119 PolarHBondContact O-OG 3.48Å; G116-K120 PolarHBondContact O-N 2.83Å; G116-N225 VanDerWaalsContact CA-O 3.22Å; G116-N225 WeakPolarHBondContact CA-O 2.97Å
117F77.9Confident75.4Confident79 Ų7969.6 Ų69.635%0.34636%0.357SS..Hα-helixtrans-59.8-40.6175.6-77.4-64.2000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.03Å; V113-F117 PolarHBondContact O-N 3.21Å; I114-F117 PolarHBondContact O-N 2.78Å; F117-I121 WeakPolarHBondContact O-CG1 3.3Å; F117-A124 HydrophobicContact CD1-CB 4.23Å; F117-A124 HydrophobicContact CE1-CB 4.34Å; F117-L125 HydrophobicContact CD1-CD1 4.14Å; F117-L125 HydrophobicContact CE1-CD1 3.75Å; F117-F128 HydrophobicContact CZ-CE2 4.39Å
118R76.8Confident74.2Confident215 Ų21567.6 Ų67.681%0.81134%0.34SS*.Hα-helixtrans-70.1-34.6179.1-73.8-178.370.1-168.22113.5I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.33Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.37Å; I114-R118 PolarHBondContact O-N 3.01Å; M115-R118 PolarHBondContact O-N 3.01Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.11Å
119S68.7Low73Confident46 Ų4669.7 Ų69.732%0.32235%0.351SS..Hα-helixtrans-88.8-38.4-172.772.10000113.5M115 G116M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 2.91Å; M115-S119 PolarHBondContact O-OG 3.11Å; M115-S119 VanDerWaalsContact O-OG 3.08Å; G116-S119 PolarHBondContact O-N 3.29Å; G116-S119 PolarHBondContact O-OG 3.48Å
120K70.5Confident71.8Confident96 Ų9671.2 Ų71.242%0.41737%0.366SS..  trans-147.572.1-177.1-67.6177.1-179.2160.70111.6G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 2.83Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.28Å; K120-K122 VanDerWaalsContact O-N 3.17Å; K120-N123 HydrophobicContact CB-CB 3.9Å; K120-N123 HydrophobicContact CD-CB 4.25Å; K120-N123 PolarHBondContact O-N 2.94Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.37Å; K120-A124 PolarHBondContact O-N 2.95Å; K120-T226 WeakPolarHBondContact CE-O 3.42Å; K120-T226 PolarHBondContact NZ-O 3.45Å
121I65.3Low70.6Confident110 Ų11079.7 Ų79.756%0.56440%0.4SS*.Hα-helixtrans-47.7-48.2177.3-59.8170.8000111.6F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.3Å; I121-N123 PolarHBondContact O-N 3.27Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 WeakPolarHBondContact O-CD1 3.26Å; I121-L125 PolarHBondContact O-N 3.35Å
122K62.8Low69.5Low187 Ų18782.5 Ų82.581%0.81343%0.429SS*.Hα-helixtrans-66.5-37.5-176.3-64.4-174.9-179.1-176.70113.3K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.28Å; K120-K122 VanDerWaalsContact O-N 3.17Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.47Å; K122-A126 PolarHBondContact O-N 3.43Å
123N66.4Low68.9Low104 Ų10484.1 Ų84.156%0.55644%0.439SS*.Hα-helixtrans-79.4-35.9-177.7-146.560.1000111.2K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.9Å; K120-N123 HydrophobicContact CD-CB 4.25Å; K120-N123 PolarHBondContact O-N 2.94Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 3.27Å; N123-A126 PolarHBondContact O-N 2.91Å; N123-H127 PolarHBondContact O-N 3.48Å; N123-H127 VanDerWaalsContact O-N 3.11Å
124A63.4Low68.5Low17 Ų1787 Ų8714%0.1446%0.459CS..Hα-helixtrans-63.2-42.417300000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.23Å; F117-A124 HydrophobicContact CE1-CB 4.34Å; K120-A124 WeakPolarHBondContact O-CB 3.37Å; K120-A124 PolarHBondContact O-N 2.95Å; A124-H127 PolarHBondContact O-N 3.28Å
125L63.8Low68.1Low93 Ų9388.2 Ų88.249%0.48747%0.47SS..Hα-helixtrans-70.8-32.4174.6-88.979.7000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.14Å; F117-L125 HydrophobicContact CE1-CD1 3.75Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 WeakPolarHBondContact O-CD1 3.26Å; I121-L125 PolarHBondContact O-N 3.35Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.34Å; L125-F128 PolarHBondContact O-N 2.98Å
126A61.8Low68.1Low55 Ų5590.8 Ų90.846%0.45549%0.491SS..Hα-helixtrans-67.3-28.4176.600000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.47Å; K122-A126 PolarHBondContact O-N 3.43Å; N123-A126 PolarHBondContact O-N 2.91Å; A126-F128 PolarHBondContact O-N 3.08Å; A126-L129 PolarHBondContact O-N 3.42Å; A126-L129 VanDerWaalsContact O-N 3.08Å
127H64.1Low68.3Low112 Ų11295.7 Ų95.752%0.51952%0.516SS..THydrogen-bonded Turntrans-65.6-19.7175.6-159.3-63.9000113N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.48Å; N123-H127 VanDerWaalsContact O-N 3.11Å; A124-H127 PolarHBondContact O-N 3.28Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.34Å; H127-L129 PolarHBondContact O-N 3.48Å
128F62.7Low68.4Low37 Ų3794.3 Ų94.316%0.16251%0.512CS..THydrogen-bonded Turntrans-70.3-15173.2-68.5-58.5000113.6F117 L125 A126 L141 E145 T146F117-F128 HydrophobicContact CZ-CE2 4.39Å; L125-F128 PolarHBondContact O-N 2.98Å; A126-F128 PolarHBondContact O-N 3.08Å; F128-L141 VanDerWaalsContact O-CD2 3.31Å; F128-L141 WeakPolarHBondContact O-CD2 3.22Å; F128-E145 HydrophobicContact CD1-CB 4.2Å; F128-E145 HydrophobicContact CD1-CG 3.81Å; F128-E145 HydrophobicContact CE1-CG 4.5Å; F128-T146 HydrophobicContact CD1-CG2 4.2Å; F128-T146 HydrophobicContact CE1-CG2 3.95Å; F128-T146 HydrophobicContact CZ-CG2 4.44Å
129L62.9Low68.6Low64 Ų6488.1 Ų88.134%0.33550%0.5SS..SBendtrans-122.8114.7175.8-95.676.8000110.7A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3.42Å; A126-L129 VanDerWaalsContact O-N 3.08Å; H127-L129 PolarHBondContact O-N 3.48Å; L129-Q131 PolarHBondContact O-N 3.49Å; L129-I138 HydrophobicContact CD1-CG2 4.07Å; L129-I138 HydrophobicContact CD2-CD1 4.18Å; L129-I138 HydrophobicContact CD2-CG1 4.26Å; L129-I138 HydrophobicContact CD2-CG2 3.78Å; L129-I138 HydrophobicContact CG-CG2 4.17Å; L129-V142 HydrophobicContact CD1-CG2 3.39Å
130P61.5Low69.3Low70 Ų7091.4 Ų91.446%0.45551%0.511SS..  trans-62.2139.8165.220.3-22000109.8G132 T133 L141P130-G132 PolarHBondContact O-N 3.26Å; P130-T133 HydrophobicContact CB-CG2 4.48Å; P130-T133 HydrophobicContact CG-CG2 3.69Å; P130-T133 WeakPolarHBondContact O-CG2 3.37Å; P130-L141 HydrophobicContact CG-CD1 3.8Å; P130-L141 HydrophobicContact CG-CD2 4.08Å
131Q61.3Low69.9Low204 Ų20489 Ų8995%0.95350%0.503SS*.THydrogen-bonded Turntrans-65129.5-178.8-62.8-160.80.300110.4L129L129-Q131 PolarHBondContact O-N 3.49Å
132G62.3Low70.7Confident82 Ų8286 Ų8685%0.84549%0.489SS*.THydrogen-bonded Turntrans9912.5176.300000116.1P130P130-G132 PolarHBondContact O-N 3.26Å
133T71Confident71.8Confident35 Ų3581.4 Ų81.422%0.21547%0.473CS..  trans-71.4135.1176.952.70000112.7P130 L141P130-T133 HydrophobicContact CB-CG2 4.48Å; P130-T133 HydrophobicContact CG-CG2 3.69Å; P130-T133 WeakPolarHBondContact O-CG2 3.37Å; T133-L141 HydrophobicContact CG2-CD1 3.85Å
134P73.4Confident72.7Confident76 Ų7681 Ų8149%0.49447%0.469SS..  trans-58.8137.4173.4-18.629.2000111.5P136 L137P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 HydrophobicContact CB-CG 4.44Å; P134-P136 VanDerWaalsContact O-N 3.11Å; P134-L137 HydrophobicContact CB-CD1 4.4Å; P134-L137 HydrophobicContact CG-CD1 4.04Å; P134-L137 PolarHBondContact O-N 2.95Å
135T75.6Confident73.7Confident121 Ų12183 Ų8374%0.74248%0.476SS*.THydrogen-bonded Turntrans-48.4-35.8-177.748.60000116.4
136P82.4Confident74.5Confident103 Ų10381 Ų8167%0.66947%0.468SS*.THydrogen-bonded Turntrans-75.5-22.1178.927.2-34.7000114.6P134P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 HydrophobicContact CB-CG 4.44Å; P134-P136 VanDerWaalsContact O-N 3.11Å
137L80.3Confident75.7Confident104 Ų10482.5 Ų82.555%0.54547%0.467SS..THydrogen-bonded Turntrans-88.5-11.3-176.5-68.3169.2000113.2P134 M140 L141P134-L137 HydrophobicContact CB-CD1 4.4Å; P134-L137 HydrophobicContact CG-CD1 4.04Å; P134-L137 PolarHBondContact O-N 2.95Å; L137-M140 PolarHBondContact O-N 2.67Å; L137-L141 PolarHBondContact O-N 2.97Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I79.6Confident76.6Confident49 Ų4979.6 Ų79.625%0.25146%0.46SS..Hα-helixtrans-55.6-48.8-176.1-63.7176.1000112.6L129 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.07Å; L129-I138 HydrophobicContact CD2-CD1 4.18Å; L129-I138 HydrophobicContact CD2-CG1 4.26Å; L129-I138 HydrophobicContact CD2-CG2 3.78Å; L129-I138 HydrophobicContact CG-CG2 4.17Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.17Å; I138-L141 PolarHBondContact O-N 3.48Å; I138-V142 HydrophobicContact CG2-CG2 4.42Å; I138-V142 WeakPolarHBondContact O-CG2 3.36Å; I138-V142 PolarHBondContact O-N 2.91Å; I138-V142 VanDerWaalsContact O-N 3.14Å
139P80Confident77.6Confident85 Ų8580 Ų8055%0.55246%0.463SS*.Hα-helixtrans-64.4-37.2-175.2-21.233.9000112.8I143P139-I143 WeakPolarHBondContact O-CG1 3.42Å; P139-I143 PolarHBondContact O-N 2.92Å
140M83.3Confident78.5Confident116 Ų11682.1 Ų82.157%0.57147%0.474SS*.Hα-helixtrans-69.4-41.1178.9-173.463.8-173.500111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 2.67Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.17Å; M140-I143 PolarHBondContact O-N 3.47Å; M140-I144 HydrophobicContact CE-CD1 4.02Å; M140-I144 HydrophobicContact CE-CG1 4.24Å; M140-I144 HydrophobicContact CG-CD1 4.14Å; M140-I144 WeakPolarHBondContact O-CG1 3.21Å; M140-I144 PolarHBondContact O-N 3.46Å; M140-I144 VanDerWaalsContact O-N 3.12Å
141L84.7Confident79.6Confident46 Ų4683.4 Ų83.424%0.24148%0.477CS..Hα-helixtrans-66.1-40.9-178.7-167.6150.4000111.9F128 P130 T133 L137 I138 I143 I144 E145F128-L141 VanDerWaalsContact O-CD2 3.31Å; F128-L141 WeakPolarHBondContact O-CD2 3.22Å; P130-L141 HydrophobicContact CG-CD1 3.8Å; P130-L141 HydrophobicContact CG-CD2 4.08Å; T133-L141 HydrophobicContact CG2-CD1 3.85Å; L137-L141 PolarHBondContact O-N 2.97Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 3.48Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.47Å; L141-I144 PolarHBondContact O-N 3.49Å; L141-E145 PolarHBondContact O-N 2.97Å
142V81.8Confident80.7Confident46 Ų4677.1 Ų77.128%0.27945%0.447SS..Hα-helixtrans-59.2-41.9175.7174.20000111.2L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.39Å; I138-V142 HydrophobicContact CG2-CG2 4.42Å; I138-V142 WeakPolarHBondContact O-CG2 3.36Å; I138-V142 PolarHBondContact O-N 2.91Å; I138-V142 VanDerWaalsContact O-N 3.14Å; V142-E145 PolarHBondContact O-N 2.96Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 WeakPolarHBondContact O-CB 3.29Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.4Å; V142-T146 PolarHBondContact O-N 3.29Å; V142-T146 PolarHBondContact O-OG1 3.36Å
143I85.2Confident81.5Confident91 Ų9173.6 Ų73.647%0.46741%0.409SS..Hα-helixtrans-62.7-45177.1-65.9166.6000110.5P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.42Å; P139-I143 PolarHBondContact O-N 2.92Å; M140-I143 PolarHBondContact O-N 3.47Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.47Å; I143-E145 PolarHBondContact O-N 2.93Å; I143-T146 WeakPolarHBondContact CA-OG1 3.3Å; I143-T146 PolarHBondContact O-N 3.22Å; I143-T146 PolarHBondContact O-OG1 2.87Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CD1 3.17Å; I143-I147 VanDerWaalsContact O-CG1 3.25Å; I143-I147 WeakPolarHBondContact O-CG1 3.18Å; I143-I147 PolarHBondContact O-N 2.93Å; I143-I147 VanDerWaalsContact O-N 3.07Å
144I85.8Confident82.1Confident94 Ų9475.8 Ų75.848%0.48242%0.418SS..Hα-helixtrans-64.5-43.6179.5-64165.8000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 4.02Å; M140-I144 HydrophobicContact CE-CG1 4.24Å; M140-I144 HydrophobicContact CG-CD1 4.14Å; M140-I144 WeakPolarHBondContact O-CG1 3.21Å; M140-I144 PolarHBondContact O-N 3.46Å; M140-I144 VanDerWaalsContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 3.49Å; I144-I147 PolarHBondContact O-N 3.01Å; I144-S148 WeakPolarHBondContact O-CB 3.41Å; I144-S148 PolarHBondContact O-N 3.4Å
145E84Confident82.7Confident59 Ų5974 Ų7428%0.27641%0.41SS..Hα-helixtrans-67.5-39.7-178.6-166.961.7-160.800111.8F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.2Å; F128-E145 HydrophobicContact CD1-CG 3.81Å; F128-E145 HydrophobicContact CE1-CG 4.5Å; L141-E145 PolarHBondContact O-N 2.97Å; V142-E145 PolarHBondContact O-N 2.96Å; I143-E145 PolarHBondContact O-N 2.93Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.48Å; E145-S148 WeakPolarHBondContact O-CB 3.29Å; E145-S148 PolarHBondContact O-N 3.28Å; E145-L149 WeakPolarHBondContact O-CB 3.44Å; E145-L149 PolarHBondContact O-N 3.43Å
146T81.3Confident82.8Confident53 Ų5368.6 Ų68.633%0.32538%0.376SS..Hα-helixtrans-63.2-38.3173.855.50000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.2Å; F128-T146 HydrophobicContact CE1-CG2 3.95Å; F128-T146 HydrophobicContact CZ-CG2 4.44Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 WeakPolarHBondContact O-CB 3.29Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.4Å; V142-T146 PolarHBondContact O-N 3.29Å; V142-T146 PolarHBondContact O-OG1 3.36Å; I143-T146 WeakPolarHBondContact CA-OG1 3.3Å; I143-T146 PolarHBondContact O-N 3.22Å; I143-T146 PolarHBondContact O-OG1 2.87Å; T146-L150 WeakPolarHBondContact O-CG 3.38Å; T146-L150 PolarHBondContact O-N 3.48Å
147I85.6Confident82.9Confident85 Ų8563.7 Ų63.744%0.43635%0.345SS..Hα-helixtrans-67.4-43.6173.9-67.9166.5000110.8I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CD1 3.17Å; I143-I147 VanDerWaalsContact O-CG1 3.25Å; I143-I147 WeakPolarHBondContact O-CG1 3.18Å; I143-I147 PolarHBondContact O-N 2.93Å; I143-I147 VanDerWaalsContact O-N 3.07Å; I144-I147 PolarHBondContact O-N 3.01Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.48Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.26Å; I147-L150 PolarHBondContact O-N 2.83Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.37Å; I147-I151 PolarHBondContact O-N 3.22Å
148S84.1Confident83.2Confident51 Ų5161.5 Ų61.536%0.35734%0.336SS..Hα-helixtrans-57.2-46.3178-176.60000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.41Å; I144-S148 PolarHBondContact O-N 3.4Å; E145-S148 WeakPolarHBondContact O-CB 3.29Å; E145-S148 PolarHBondContact O-N 3.28Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.48Å; S148-I151 PolarHBondContact O-N 3.05Å; S148-Q152 PolarHBondContact O-N 3.09Å; S148-Q152 VanDerWaalsContact O-N 3.16Å
149L82.8Confident83.6Confident45 Ų4564 Ų6424%0.23634%0.342CS..Hα-helixtrans-59.9-36.9177.4-173.2119.1000112.2W109 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.08Å; W109-L149 HydrophobicContact CZ2-CD2 3.43Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.43Å; W109-L149 HydrophobicContact CZ2-CG 3.82Å; W109-L149 VanDerWaalsContact CZ2-O 3.25Å; W109-L149 WeakPolarHBondContact CZ2-O 3.18Å; W109-L149 PolarHBondContact NE1-O 3.25Å; E145-L149 WeakPolarHBondContact O-CB 3.44Å; E145-L149 PolarHBondContact O-N 3.43Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.26Å; L149-P153 WeakPolarHBondContact O-CD 3.24Å
150L82.6Confident83.6Confident109 Ų10960 Ų6057%0.57132%0.316SS*.Hα-helixtrans-77.9-34.2177.7-71.9173.3000113.7W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.78Å; W109-L150 HydrophobicContact CZ2-CD2 4.33Å; T146-L150 WeakPolarHBondContact O-CG 3.38Å; T146-L150 PolarHBondContact O-N 3.48Å; I147-L150 PolarHBondContact O-N 2.83Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.48Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-P153 WeakPolarHBondContact O-CD 3.07Å; L150-P153 WeakPolarHBondContact O-CG 3.4Å
151I85.4Confident83.8Confident98 Ų9855 Ų5550%0.50329%0.292SS..Hα-helixtrans-72.4-31-179.5-69.5172.9000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.37Å; I147-I151 PolarHBondContact O-N 3.22Å; S148-I151 PolarHBondContact O-N 3.05Å; I151-M154 WeakPolarHBondContact O-CB 3.38Å; I151-M154 PolarHBondContact O-N 2.75Å; I151-M154 VanDerWaalsContact O-N 3.15Å; I151-A155 HydrophobicContact CG2-CB 4.45Å; I151-A155 WeakPolarHBondContact O-CB 3.37Å; I151-A155 PolarHBondContact O-N 3.13Å
152Q83Confident83.8Confident71 Ų7154.8 Ų54.833%0.33230%0.297SS..Hα-helixtrans-52.4-52.7-177.3-106.8174.8-1600116.1S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.09Å; S148-Q152 VanDerWaalsContact O-N 3.16Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.07Å; Q152-A155 PolarHBondContact O-N 3.14Å; Q152-L156 WeakPolarHBondContact O-CB 3.3Å; Q152-L156 PolarHBondContact O-N 3.33Å; Q152-Y221 HydrophobicContact CG-CE1 4.35Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.41Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.3Å; Q152-Y221 PolarHBondContact NE2-OH 3.26Å; Q152-Y221 PolarHBondContact OE1-OH 3.45Å
153P79.6Confident84Confident9 Ų955.6 Ų55.66%0.05830%0.299CS..Hα-helixtrans-64.1-33.8178.423.9-34.4000112.1W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.42Å; W109-P153 HydrophobicContact CD2-CB 4.27Å; W109-P153 HydrophobicContact CD2-CG 3.79Å; W109-P153 HydrophobicContact CE3-CG 4.27Å; W109-P153 HydrophobicContact CG-CB 3.85Å; W109-P153 HydrophobicContact CG-CG 3.84Å; L149-P153 WeakPolarHBondContact O-CD 3.24Å; L150-P153 WeakPolarHBondContact O-CD 3.07Å; L150-P153 WeakPolarHBondContact O-CG 3.4Å; P153-A157 PolarHBondContact O-N 3.28Å
154M84.1Confident84Confident80 Ų8051.7 Ų51.739%0.39428%0.279SS..Hα-helixtrans-66.9-46.3174.7-171.666.2-174.500111L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.09Å; L102-M154 HydrophobicContact CD1-SD 3.39Å; L102-M154 WeakPolarHBondContact CD1-SD 3.43Å; L102-M154 HydrophobicContact CD2-SD 4.27Å; L102-M154 HydrophobicContact CG-SD 4.49Å; I151-M154 WeakPolarHBondContact O-CB 3.38Å; I151-M154 PolarHBondContact O-N 2.75Å; I151-M154 VanDerWaalsContact O-N 3.15Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.07Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.02Å; M154-A157 PolarHBondContact O-N 3.29Å; M154-V158 HydrophobicContact CE-CG2 3.96Å; M154-V158 HydrophobicContact CG-CG2 4.42Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.41Å; M154-V158 PolarHBondContact O-N 2.97Å
155A84.9Confident84.1Confident40 Ų4049 Ų4933%0.33127%0.267SS..Hα-helixtrans-61.8-37.5178.800000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.45Å; I151-A155 WeakPolarHBondContact O-CB 3.37Å; I151-A155 PolarHBondContact O-N 3.13Å; Q152-A155 PolarHBondContact O-N 3.14Å; A155-R159 WeakPolarHBondContact O-CB 3.43Å; A155-R159 PolarHBondContact O-N 2.71Å
156L79.3Confident84.3Confident6 Ų648.8 Ų48.83%0.03128%0.276CS..Hα-helixtrans-61.5-48.6174.6-166.788.7000111.6A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.23Å; Q152-L156 WeakPolarHBondContact O-CB 3.3Å; Q152-L156 PolarHBondContact O-N 3.33Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.02Å; L156-R159 PolarHBondContact O-N 3.09Å; L156-L160 PolarHBondContact O-N 3.44Å; L156-F214 HydrophobicContact CD1-CD2 4.13Å; L156-F214 HydrophobicContact CD1-CG 4.45Å; L156-F214 HydrophobicContact CD2-CD1 4.19Å; L156-F214 HydrophobicContact CD2-CD2 3.35Å; L156-F214 HydrophobicContact CD2-CE1 3.98Å; L156-F214 HydrophobicContact CD2-CE2 3.11Å; L156-F214 HydrophobicContact CD2-CG 3.9Å; L156-F214 HydrophobicContact CD2-CZ 3.45Å; L156-F214 VanDerWaalsContact CD2-CZ 3.45Å; L156-F214 HydrophobicContact CG-CD2 3.43Å; L156-F214 VanDerWaalsContact CG-CD2 3.43Å; L156-F214 HydrophobicContact CG-CE2 3.58Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.39Å; L156-L217 HydrophobicContact CD1-CB 3.85Å; L156-L217 HydrophobicContact CD1-CD1 3.44Å; L156-L217 VanDerWaalsContact CD1-CD1 3.44Å; L156-L217 HydrophobicContact CD1-CG 4.28Å; L156-V218 HydrophobicContact CD2-CG2 4.32Å
157A83.4Confident84.6Confident0 Ų046.6 Ų46.60%026%0.264CS..Hα-helixtrans-64.5-44.8179.900000112L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.32Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 3.07Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 3.85Å; A105-A157 HydrophobicContact CB-CB 4.25Å; P153-A157 PolarHBondContact O-N 3.28Å; M154-A157 PolarHBondContact O-N 3.29Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.12Å; A157-L160 PolarHBondContact O-N 3.48Å; A157-T161 PolarHBondContact O-N 3.01Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.34Å
158V87.1Confident84.7Confident59 Ų5944.1 Ų44.136%0.35825%0.25SS..Hα-helixtrans-63.7-38.8177.8172.90000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.95Å; M154-V158 HydrophobicContact CE-CG2 3.96Å; M154-V158 HydrophobicContact CG-CG2 4.42Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.41Å; M154-V158 PolarHBondContact O-N 2.97Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.97Å; V158-T161 WeakPolarHBondContact CA-OG1 3.14Å; V158-T161 PolarHBondContact O-N 3.47Å; V158-T161 PolarHBondContact O-OG1 3.42Å; V158-A162 WeakPolarHBondContact O-CB 3.36Å; V158-A162 PolarHBondContact O-N 2.94Å
159R87.4Confident84.9Confident100 Ų10043.7 Ų43.738%0.37724%0.244SC..Hα-helixtrans-61-42.6177.9-168-173.2-61.2153.32.5111.8A155 L156 A157 N163 Q210 L217A155-R159 WeakPolarHBondContact O-CB 3.43Å; A155-R159 PolarHBondContact O-N 2.71Å; L156-R159 PolarHBondContact O-N 3.09Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.12Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.21Å; R159-N163 PolarHBondContact O-ND2 3.16Å; R159-Q210 VanDerWaalsContact C-NE2 3.26Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å; R159-L217 VanDerWaalsContact NH1-CD1 3.34Å
160L81.5Confident85.2Confident1 Ų145.4 Ų45.41%0.00525%0.253CS..Hα-helixtrans-67.7-44.1179.5179.267.3000110.9I79 N83 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.03Å; I79-L160 HydrophobicContact CG2-CD2 4.13Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.24Å; T95-L160 HydrophobicContact CG2-CD2 4.46Å; N101-L160 HydrophobicContact CB-CD2 4.33Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 3.38Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.48Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.46Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.32Å; L156-L160 PolarHBondContact O-N 3.44Å; A157-L160 PolarHBondContact O-N 3.48Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.97Å; L160-I164 HydrophobicContact CD1-CD1 3.71Å; L160-I164 HydrophobicContact CG-CD1 4.25Å; L160-I164 WeakPolarHBondContact O-CG1 3.26Å; L160-I164 PolarHBondContact O-N 2.74Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.26Å; L160-Q210 HydrophobicContact CD1-CB 4.37Å; L160-Q210 HydrophobicContact CD1-CG 3.41Å; L160-Q210 VanDerWaalsContact CD1-CG 3.41Å; L160-Q210 HydrophobicContact CG-CG 4.43Å; L160-F214 HydrophobicContact CD2-CD2 4.47Å
161T85.4Confident85.6Confident13 Ų1341.7 Ų41.78%0.0823%0.233CC..Hα-helixtrans-65.8-46.3177.4490000112.2T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.48Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.16Å; N101-T161 PolarHBondContact ND2-N 3.42Å; A157-T161 PolarHBondContact O-N 3.01Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.34Å; V158-T161 WeakPolarHBondContact CA-OG1 3.14Å; V158-T161 PolarHBondContact O-N 3.47Å; V158-T161 PolarHBondContact O-OG1 3.42Å; T161-N163 PolarHBondContact O-N 3.01Å; T161-I164 PolarHBondContact O-N 3.09Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.23Å; T161-T165 WeakPolarHBondContact O-CG2 3.13Å; T161-T165 PolarHBondContact O-N 3.03Å; T161-T165 PolarHBondContact O-OG1 3.32Å
162A84.8Confident85.8Confident41 Ų4140.8 Ų40.834%0.33923%0.226SC..Hα-helixtrans-63.9-44.1-172.400000111.1V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.36Å; V158-A162 PolarHBondContact O-N 2.94Å; A162-T165 PolarHBondContact O-OG1 3.31Å; A162-A166 WeakPolarHBondContact O-CB 3.49Å; A162-A166 PolarHBondContact O-N 3.27Å
163N87.8Confident86.1Confident62 Ų6241.4 Ų41.433%0.33223%0.231SC..Hα-helixtrans-63.9-48.5-179.1-69.4-6.7000111.3R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.21Å; R159-N163 PolarHBondContact O-ND2 3.16Å; T161-N163 PolarHBondContact O-N 3.01Å; N163-G167 PolarHBondContact O-N 2.84Å; N163-V206 HydrophobicContact CB-CG1 4.06Å
164I85.1Confident86.7Confident9 Ų942.5 Ų42.55%0.04624%0.236CC..Hα-helixtrans-71-39.8-176.7-59.2172.8000111.5N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-I164 VanDerWaalsContact CG-CD1 3.41Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.27Å; T93-I164 HydrophobicContact CG2-CG2 4.27Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.21Å; T96-I164 HydrophobicContact CG2-CB 4.34Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; L160-I164 HydrophobicContact CD1-CD1 3.71Å; L160-I164 HydrophobicContact CG-CD1 4.25Å; L160-I164 WeakPolarHBondContact O-CG1 3.26Å; L160-I164 PolarHBondContact O-N 2.74Å; T161-I164 PolarHBondContact O-N 3.09Å; I164-H168 WeakPolarHBondContact O-CB 3.46Å; I164-H168 PolarHBondContact O-N 2.99Å; I164-H168 VanDerWaalsContact O-N 3.1Å
165T87.9Confident87Confident37 Ų3739.9 Ų39.923%0.22723%0.23CC..Hα-helixtrans-67.1-46.6177.252.90000111.7F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.4Å; F9-T165 HydrophobicContact CE1-CG2 4.12Å; T96-T165 HydrophobicContact CG2-CG2 3.72Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.23Å; T161-T165 WeakPolarHBondContact O-CG2 3.13Å; T161-T165 PolarHBondContact O-N 3.03Å; T161-T165 PolarHBondContact O-OG1 3.32Å; A162-T165 PolarHBondContact O-OG1 3.31Å; T165-H168 PolarHBondContact O-N 3.5Å; T165-L169 WeakPolarHBondContact O-CB 3.4Å; T165-L169 WeakPolarHBondContact O-CG 3.27Å; T165-L169 PolarHBondContact O-N 2.9Å
166A87.4Confident87.2Confident56 Ų5640.4 Ų40.446%0.46323%0.231SC..Hα-helixtrans-65-42.9179.200000111.5A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.49Å; A162-A166 PolarHBondContact O-N 3.27Å; A166-L169 PolarHBondContact O-N 3.1Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 2.86Å
167G87.9Confident87.6Confident6 Ų643 Ų436%0.06225%0.248CC..Hα-helixtrans-59.9-47.3176.700000112.4N163 L170 M171 E203N163-G167 PolarHBondContact O-N 2.84Å; G167-L170 PolarHBondContact O-N 3.45Å; G167-M171 WeakPolarHBondContact O-CG 3.32Å; G167-M171 PolarHBondContact O-N 3.37Å; G167-E203 WeakPolarHBondContact CA-OE2 3.47Å
168H87.8Confident88Confident33 Ų3343.9 Ų43.915%0.15325%0.253CS..Hα-helixtrans-66-39.6177.6-167.6-80.3000112.7S8 F9 I164 T165 M171 H172S8-H168 PolarHBondContact OG-CE1 3.43Å; F9-H168 HydrophobicContact CE1-CB 4.26Å; F9-H168 HydrophobicContact CZ-CB 4.03Å; F9-H168 AromaticContact CZ-ND1 3.84Å; I164-H168 WeakPolarHBondContact O-CB 3.46Å; I164-H168 PolarHBondContact O-N 2.99Å; I164-H168 VanDerWaalsContact O-N 3.1Å; T165-H168 PolarHBondContact O-N 3.5Å; H168-M171 HydrophobicContact CB-CE 4.4Å; H168-M171 PolarHBondContact O-N 3.47Å; H168-H172 WeakPolarHBondContact O-CB 3.44Å; H168-H172 PolarHBondContact O-N 2.91Å
169L88Confident88.1Confident42 Ų4247.3 Ų47.322%0.2227%0.268CS..Hα-helixtrans-62-43.1172.7-78.4169.6000111.7F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.44Å; F6-L169 HydrophobicContact CE1-CD1 4.13Å; F6-L169 HydrophobicContact CE1-CD2 4.08Å; F6-L169 HydrophobicContact CZ-CD2 4.47Å; F9-L169 HydrophobicContact CE2-CD1 4.42Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.34Å; F9-L169 HydrophobicContact CZ-CG 3.92Å; T165-L169 WeakPolarHBondContact O-CB 3.4Å; T165-L169 WeakPolarHBondContact O-CG 3.27Å; T165-L169 PolarHBondContact O-N 2.9Å; A166-L169 PolarHBondContact O-N 3.1Å; L169-H172 PolarHBondContact O-N 2.92Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.46Å
170L90.1Very high88.2Confident82 Ų8244.9 Ų44.943%0.42927%0.27SS..Hα-helixtrans-64.2-44.6178.9-157.389.4000111.1A166 G167 H172 L173 I174 L199A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 2.86Å; G167-L170 PolarHBondContact O-N 3.45Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.46Å; L170-L173 PolarHBondContact O-N 3.34Å; L170-I174 HydrophobicContact CD2-CD1 4.34Å; L170-I174 HydrophobicContact CG-CD1 4.26Å; L170-I174 WeakPolarHBondContact O-CG1 3.13Å; L170-I174 PolarHBondContact O-N 3.39Å; L170-L199 HydrophobicContact CB-CD2 4.16Å; L170-L199 HydrophobicContact CD2-CD1 3.41Å; L170-L199 VanDerWaalsContact CD2-CD1 3.41Å; L170-L199 HydrophobicContact CD2-CD2 3.6Å; L170-L199 HydrophobicContact CD2-CG 4.13Å; L170-L199 HydrophobicContact CG-CD2 4.07Å
171M90.6Very high88.5Confident31 Ų3147.8 Ų47.815%0.15328%0.284CS..Hα-helixtrans-59.6-42.7175.1-74.8-172.2-68.300111.6L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.04Å; G167-M171 WeakPolarHBondContact O-CG 3.32Å; G167-M171 PolarHBondContact O-N 3.37Å; H168-M171 HydrophobicContact CB-CE 4.4Å; H168-M171 PolarHBondContact O-N 3.47Å; M171-G175 PolarHBondContact O-N 2.98Å; M171-L199 HydrophobicContact CB-CD2 4.32Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.1Å; M171-T200 HydrophobicContact SD-CG2 3.83Å; M171-E203 HydrophobicContact CE-CG 4.12Å
172H89.1Confident88.6Confident78 Ų7850 Ų5036%0.36130%0.301SS..Hα-helixtrans-67.9-41.6178-169.9-60.4000112.2L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.4Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.29Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.49Å; H168-H172 WeakPolarHBondContact O-CB 3.44Å; H168-H172 PolarHBondContact O-N 2.91Å; L169-H172 PolarHBondContact O-N 2.92Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.46Å; H172-G175 PolarHBondContact O-N 3.35Å; H172-S176 WeakPolarHBondContact O-CB 3.3Å; H172-S176 PolarHBondContact O-N 3.37Å; H172-S176 PolarHBondContact O-OG 3.49Å
173L90.1Very high88.8Confident84 Ų8453.8 Ų53.844%0.4432%0.319SS..Hα-helixtrans-62.6-49.5177.9-75171.8000110.8L5 L169 L170 G175 S176 T177L5-L173 HydrophobicContact CD1-CD2 4.13Å; L5-L173 HydrophobicContact CD2-CD2 4.37Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.46Å; L170-L173 PolarHBondContact O-N 3.34Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.31Å; L173-S176 PolarHBondContact O-N 3.19Å; L173-S176 PolarHBondContact O-OG 3.32Å; L173-T177 WeakPolarHBondContact O-CG2 3.48Å; L173-T177 PolarHBondContact O-N 2.97Å; L173-T177 PolarHBondContact O-OG1 2.87Å
174I91.3Very high88.8Confident32 Ų3256.7 Ų56.716%0.16433%0.334CS..Hα-helixtrans-65.1-38.4177.6-61.9179.9000110.8L170 S176 T177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 4.34Å; L170-I174 HydrophobicContact CG-CD1 4.26Å; L170-I174 WeakPolarHBondContact O-CG1 3.13Å; L170-I174 PolarHBondContact O-N 3.39Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.17Å; I174-T177 WeakPolarHBondContact CA-OG1 3.35Å; I174-T177 PolarHBondContact O-N 3.46Å; I174-T177 PolarHBondContact O-OG1 3.38Å; I174-T178 HydrophobicContact CG2-CG2 4.37Å; I174-T178 WeakPolarHBondContact O-CG2 3.4Å; I174-T178 PolarHBondContact O-N 3.27Å; I174-T178 PolarHBondContact O-OG1 3.3Å; I174-I192 HydrophobicContact CG2-CG2 3.79Å; I174-I195 HydrophobicContact CD1-CG2 4.25Å; I174-L196 HydrophobicContact CB-CD1 4.18Å; I174-L196 HydrophobicContact CG2-CB 4Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I174-L199 HydrophobicContact CD1-CD2 3.96Å
175G90.2Very high89Confident25 Ų2560.2 Ų60.226%0.25835%0.352SS..Hα-helixtrans-62.1-36.6174.100000113.4M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 2.98Å; H172-G175 PolarHBondContact O-N 3.35Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.31Å; G175-T178 WeakPolarHBondContact CA-OG1 3.47Å; G175-T178 PolarHBondContact O-OG1 3.48Å; G175-L179 PolarHBondContact O-N 2.61Å
176S89Confident89Confident52 Ų5265.3 Ų65.336%0.36438%0.377SS..Hα-helixtrans-72.3-34.5175.672.10000112.5H172 L173 I174 A180H172-S176 WeakPolarHBondContact O-CB 3.3Å; H172-S176 PolarHBondContact O-N 3.37Å; H172-S176 PolarHBondContact O-OG 3.49Å; L173-S176 PolarHBondContact O-N 3.19Å; L173-S176 PolarHBondContact O-OG 3.32Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.17Å; S176-A180 WeakPolarHBondContact O-CB 3.44Å; S176-A180 PolarHBondContact O-N 2.97Å
177T88.6Confident89.1Confident61 Ų6166.3 Ų66.337%0.37438%0.38SS..Hα-helixtrans-73.9-36.9176.760.40000111.8L173 I174 L179 A180 M181L173-T177 WeakPolarHBondContact O-CG2 3.48Å; L173-T177 PolarHBondContact O-N 2.97Å; L173-T177 PolarHBondContact O-OG1 2.87Å; I174-T177 WeakPolarHBondContact CA-OG1 3.35Å; I174-T177 PolarHBondContact O-N 3.46Å; I174-T177 PolarHBondContact O-OG1 3.38Å; T177-L179 VanDerWaalsContact C-N 3.32Å; T177-L179 PolarHBondContact O-N 3.03Å; T177-A180 PolarHBondContact O-N 3.33Å; T177-M181 WeakPolarHBondContact O-CB 3.11Å; T177-M181 VanDerWaalsContact O-CG 3.23Å; T177-M181 WeakPolarHBondContact O-CG 3.35Å; T177-M181 PolarHBondContact O-N 3.36Å
178T90.6Very high89.1Confident17 Ų1767.7 Ų67.710%0.10439%0.388CS..Hα-helixtrans-60.8-43.1172.356.20000111I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.37Å; I174-T178 WeakPolarHBondContact O-CG2 3.4Å; I174-T178 PolarHBondContact O-N 3.27Å; I174-T178 PolarHBondContact O-OG1 3.3Å; G175-T178 WeakPolarHBondContact CA-OG1 3.47Å; G175-T178 PolarHBondContact O-OG1 3.48Å; T178-M181 PolarHBondContact O-N 3.12Å; T178-S182 WeakPolarHBondContact O-CB 3.47Å; T178-S182 PolarHBondContact O-N 2.87Å; T178-I192 HydrophobicContact CG2-CB 3.83Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å
179L89.9Confident89.3Confident131 Ų13167.2 Ų67.269%0.68639%0.387SS*.Hα-helixtrans-60.7-47175.9-166.191000111.3G175 T177 S182G175-L179 PolarHBondContact O-N 2.61Å; T177-L179 VanDerWaalsContact C-N 3.32Å; T177-L179 PolarHBondContact O-N 3.03Å; L179-S182 WeakPolarHBondContact O-CB 3.02Å; L179-S182 PolarHBondContact O-N 3.13Å; L179-S182 PolarHBondContact O-OG 3.2Å
180A89.3Confident89.5Confident49 Ų4970.9 Ų70.941%0.40541%0.407SS..Hα-helixtrans-67.3-34.8179.700000113.4S176 T177 T183S176-A180 WeakPolarHBondContact O-CB 3.44Å; S176-A180 PolarHBondContact O-N 2.97Å; T177-A180 PolarHBondContact O-N 3.33Å; A180-T183 PolarHBondContact O-OG1 2.95Å
181M87.5Confident89.6Confident62 Ų6272 Ų7231%0.30541%0.412SS..Hα-helixtrans-77.2-23178.1-67.9-62.2111.900112.7T177 T178 T183 I184 N185 T189 I192T177-M181 WeakPolarHBondContact O-CB 3.11Å; T177-M181 VanDerWaalsContact O-CG 3.23Å; T177-M181 WeakPolarHBondContact O-CG 3.35Å; T177-M181 PolarHBondContact O-N 3.36Å; T178-M181 PolarHBondContact O-N 3.12Å; M181-T183 PolarHBondContact O-N 3.38Å; M181-I184 HydrophobicContact CE-CD1 3.68Å; M181-I184 PolarHBondContact O-N 3.39Å; M181-I184 HydrophobicContact SD-CD1 4.22Å; M181-N185 PolarHBondContact O-N 3.29Å; M181-T189 PolarHBondContact O-OG1 2.93Å; M181-T189 VanDerWaalsContact O-OG1 3.1Å; M181-I192 HydrophobicContact CB-CD1 4.29Å; M181-I192 HydrophobicContact CG-CD1 3.76Å
182S88.1Confident89.8Confident61 Ų6172.4 Ų72.443%0.42741%0.414SS..Hα-helixtrans-58-30.9178.975.90000113T178 L179 T189T178-S182 WeakPolarHBondContact O-CB 3.47Å; T178-S182 PolarHBondContact O-N 2.87Å; L179-S182 WeakPolarHBondContact O-CB 3.02Å; L179-S182 PolarHBondContact O-N 3.13Å; L179-S182 PolarHBondContact O-OG 3.2Å; S182-T189 WeakPolarHBondContact CA-OG1 3.33Å; S182-T189 PolarHBondContact N-OG1 3.02Å
183T88.2Confident89.9Confident120 Ų12073.6 Ų73.674%0.73642%0.419SS*.THydrogen-bonded Turntrans-83-15.9178.157.60000113.5A180 M181A180-T183 PolarHBondContact O-OG1 2.95Å; M181-T183 PolarHBondContact O-N 3.38Å
184I88.8Confident90.1Very high123 Ų12373.3 Ų73.363%0.63142%0.42SS*.THydrogen-bonded Turntrans-101.3-55.2-172.8-58171.2000110.9M181M181-I184 HydrophobicContact CE-CD1 3.68Å; M181-I184 PolarHBondContact O-N 3.39Å; M181-I184 HydrophobicContact SD-CD1 4.22Å
185N89.1Confident90.3Very high82 Ų8275.9 Ų75.944%0.43943%0.434SS..  trans-153.5116.1-173.9-164.417000112.6M181 P187 S188 T189M181-N185 PolarHBondContact O-N 3.29Å; N185-P187 WeakPolarHBondContact OD1-CD 3.25Å; N185-P187 VanDerWaalsContact OD1-CG 3.28Å; N185-P187 WeakPolarHBondContact OD1-CG 3.24Å; N185-S188 PolarHBondContact O-N 2.97Å; N185-S188 PolarHBondContact O-OG 3Å; N185-T189 PolarHBondContact O-N 3.09Å; N185-T189 PolarHBondContact O-OG1 2.74Å
186L88.1Confident90.4Very high144 Ų14476.2 Ų76.275%0.75443%0.429SS*.Hα-helixtrans-58.9-49.4-177.3-160.190.6000114.5S188 T189 L190L186-S188 VanDerWaalsContact C-N 3.33Å; L186-S188 PolarHBondContact O-N 3.25Å; L186-T189 WeakPolarHBondContact O-CB 3.31Å; L186-T189 PolarHBondContact O-N 3.27Å; L186-T189 VanDerWaalsContact O-N 3.15Å; L186-L190 PolarHBondContact O-N 3.44Å; L186-L190 VanDerWaalsContact O-N 3.11Å
187P89.3Confident90.6Very high78 Ų7877.4 Ų77.451%0.50643%0.431SS..Hα-helixtrans-60.5-38.9179.521.1-35.4000113.3N185 T189 L190 I191N185-P187 WeakPolarHBondContact OD1-CD 3.25Å; N185-P187 VanDerWaalsContact OD1-CG 3.28Å; N185-P187 WeakPolarHBondContact OD1-CG 3.24Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.26Å; P187-L190 PolarHBondContact O-N 3.03Å; P187-I191 PolarHBondContact O-N 3.42Å
188S87.8Confident90.9Very high35 Ų3580.3 Ų80.325%0.24544%0.443CS..Hα-helixtrans-66.2-36.8176.772.30000112N185 L186 L190 I191 I192N185-S188 PolarHBondContact O-N 2.97Å; N185-S188 PolarHBondContact O-OG 3Å; L186-S188 VanDerWaalsContact C-N 3.33Å; L186-S188 PolarHBondContact O-N 3.25Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3Å; S188-I191 PolarHBondContact O-N 3.23Å; S188-I192 WeakPolarHBondContact O-CG1 3.47Å; S188-I192 PolarHBondContact O-N 3.42Å; S188-I192 VanDerWaalsContact O-N 3.15Å
189T92.3Very high91.1Very high22 Ų2280.3 Ų80.314%0.13544%0.443CS..Hα-helixtrans-63.2-40.7176.9-57.50000111.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.93Å; M181-T189 VanDerWaalsContact O-OG1 3.1Å; S182-T189 WeakPolarHBondContact CA-OG1 3.33Å; S182-T189 PolarHBondContact N-OG1 3.02Å; N185-T189 PolarHBondContact O-N 3.09Å; N185-T189 PolarHBondContact O-OG1 2.74Å; L186-T189 WeakPolarHBondContact O-CB 3.31Å; L186-T189 PolarHBondContact O-N 3.27Å; L186-T189 VanDerWaalsContact O-N 3.15Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.26Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 3.46Å; T189-I192 PolarHBondContact O-N 3.48Å; T189-F193 VanDerWaalsContact O-CB 3.26Å; T189-F193 WeakPolarHBondContact O-CB 3.49Å; T189-F193 PolarHBondContact O-N 3.18Å
190L91.6Very high91.1Very high120 Ų12076.6 Ų76.663%0.62843%0.425SS*.Hα-helixtrans-60-41.8177.8-159.788.9000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.44Å; L186-L190 VanDerWaalsContact O-N 3.11Å; P187-L190 PolarHBondContact O-N 3.03Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3Å; L190-F193 PolarHBondContact O-N 2.88Å; L190-T194 WeakPolarHBondContact O-CG2 3.24Å; L190-T194 PolarHBondContact O-N 3.2Å; L190-T194 PolarHBondContact O-OG1 2.89Å
191I93.2Very high91.3Very high104 Ų10479.1 Ų79.153%0.53343%0.431SS..Hα-helixtrans-65.4-44.6178.7-62.1165.3000111P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.42Å; S188-I191 PolarHBondContact O-N 3.23Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 3.46Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 3.43Å; I191-T194 PolarHBondContact O-N 3.39Å; I191-T194 PolarHBondContact O-OG1 2.84Å; I191-I195 HydrophobicContact CG2-CD1 4.35Å; I191-I195 WeakPolarHBondContact O-CG1 3.45Å; I191-I195 PolarHBondContact O-N 2.96Å
192I93.3Very high91.5Very high40 Ų4081 Ų8121%0.20544%0.442CS..Hα-helixtrans-70-33.2179.6-54.2170.9000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.79Å; T178-I192 HydrophobicContact CG2-CB 3.83Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å; M181-I192 HydrophobicContact CB-CD1 4.29Å; M181-I192 HydrophobicContact CG-CD1 3.76Å; S188-I192 WeakPolarHBondContact O-CG1 3.47Å; S188-I192 PolarHBondContact O-N 3.42Å; S188-I192 VanDerWaalsContact O-N 3.15Å; T189-I192 PolarHBondContact O-N 3.48Å; I192-I195 WeakPolarHBondContact O-CB 3.49Å; I192-I195 PolarHBondContact O-N 3.44Å; I192-L196 PolarHBondContact O-N 3.41Å
193F93Very high91.7Very high104 Ų10478.8 Ų78.846%0.45643%0.425SS..Hα-helixtrans-66.6-39.3175.3-173.9-105.6000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.26Å; T189-F193 WeakPolarHBondContact O-CB 3.49Å; T189-F193 PolarHBondContact O-N 3.18Å; L190-F193 PolarHBondContact O-N 2.88Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 3.43Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.17Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.4Å; F193-L196 PolarHBondContact O-N 3.12Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.49Å; F193-I197 VanDerWaalsContact CE1-CD1 3.49Å; F193-I197 HydrophobicContact CE1-CG1 4.29Å; F193-I197 HydrophobicContact CZ-CD1 4.08Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 PolarHBondContact O-N 3.33Å; F193-I197 VanDerWaalsContact O-N 3.07Å
194T93.7Very high91.8Very high77 Ų7777.1 Ų77.147%0.47241%0.411SS..Hα-helixtrans-64.9-37173.256.90000111.7L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.24Å; L190-T194 PolarHBondContact O-N 3.2Å; L190-T194 PolarHBondContact O-OG1 2.89Å; I191-T194 PolarHBondContact O-N 3.39Å; I191-T194 PolarHBondContact O-OG1 2.84Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-I197 PolarHBondContact O-N 3.48Å; T194-L198 PolarHBondContact O-N 3.19Å
195I94.6Very high91.9Very high86 Ų8673.4 Ų73.444%0.44140%0.398SS..Hα-helixtrans-61.9-42.2172.6-65.9166.6000111I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.25Å; I191-I195 HydrophobicContact CG2-CD1 4.35Å; I191-I195 WeakPolarHBondContact O-CG1 3.45Å; I191-I195 PolarHBondContact O-N 2.96Å; I192-I195 WeakPolarHBondContact O-CB 3.49Å; I192-I195 PolarHBondContact O-N 3.44Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.17Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 2.88Å; I195-L198 PolarHBondContact O-N 3.03Å; I195-L199 WeakPolarHBondContact O-CB 3.28Å; I195-L199 PolarHBondContact O-N 3.44Å
196L93.6Very high92.1Very high32 Ų3271.4 Ų71.417%0.16839%0.389CS..Hα-helixtrans-60.1-43.5176.4-177.267.6000111.7I174 I192 F193 T194 L199 T200I174-L196 HydrophobicContact CB-CD1 4.18Å; I174-L196 HydrophobicContact CG2-CB 4Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I192-L196 PolarHBondContact O-N 3.41Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.4Å; F193-L196 PolarHBondContact O-N 3.12Å; T194-L196 VanDerWaalsContact C-N 3.35Å; L196-L199 WeakPolarHBondContact O-CB 3.42Å; L196-L199 PolarHBondContact O-N 3.45Å; L196-T200 WeakPolarHBondContact O-CG2 3.37Å; L196-T200 PolarHBondContact O-N 3.32Å
197I92.9Very high92.1Very high77 Ų7764.7 Ų64.740%0.39535%0.354SS..Hα-helixtrans-63.6-42.4176-67165.5000111.1F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.49Å; F193-I197 VanDerWaalsContact CE1-CD1 3.49Å; F193-I197 HydrophobicContact CE1-CG1 4.29Å; F193-I197 HydrophobicContact CZ-CD1 4.08Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 PolarHBondContact O-N 3.33Å; F193-I197 VanDerWaalsContact O-N 3.07Å; T194-I197 PolarHBondContact O-N 3.48Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 2.88Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.77Å; I197-T200 PolarHBondContact O-N 2.93Å; I197-T200 PolarHBondContact O-OG1 3.05Å; I197-I201 HydrophobicContact CG2-CD1 4.15Å; I197-I201 WeakPolarHBondContact O-CG1 3.42Å; I197-I201 PolarHBondContact O-N 2.97Å
198L94.9Very high92.1Very high122 Ų12266.3 Ų66.364%0.63936%0.358SS*.Hα-helixtrans-63.1-39.2177.9-175.364.6000111.3T194 I195 I201 L202T194-L198 PolarHBondContact O-N 3.19Å; I195-L198 PolarHBondContact O-N 3.03Å; L198-I201 PolarHBondContact O-N 3.13Å; L198-L202 PolarHBondContact O-N 3.47Å
199L93.3Very high92.3Very high17 Ų1769.2 Ų69.29%0.08937%0.37CS..Hα-helixtrans-64.6-42.1177-178.968.5000112.3L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.16Å; L170-L199 HydrophobicContact CD2-CD1 3.41Å; L170-L199 VanDerWaalsContact CD2-CD1 3.41Å; L170-L199 HydrophobicContact CD2-CD2 3.6Å; L170-L199 HydrophobicContact CD2-CG 4.13Å; L170-L199 HydrophobicContact CG-CD2 4.07Å; M171-L199 HydrophobicContact CB-CD2 4.32Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.1Å; I174-L199 HydrophobicContact CD1-CD2 3.96Å; I195-L199 WeakPolarHBondContact O-CB 3.28Å; I195-L199 PolarHBondContact O-N 3.44Å; L196-L199 WeakPolarHBondContact O-CB 3.42Å; L196-L199 PolarHBondContact O-N 3.45Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.77Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 2.98Å; L199-L202 HydrophobicContact CD1-CD2 4.39Å; L199-L202 WeakPolarHBondContact O-CB 3.26Å; L199-L202 PolarHBondContact O-N 3.41Å; L199-E203 PolarHBondContact O-N 2.86Å
200T91.4Very high92.2Very high53 Ų5368.7 Ų68.733%0.32537%0.366SS..Hα-helixtrans-63.9-37.9178.657.60000111.4M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.83Å; L196-T200 WeakPolarHBondContact O-CG2 3.37Å; L196-T200 PolarHBondContact O-N 3.32Å; I197-T200 PolarHBondContact O-N 2.93Å; I197-T200 PolarHBondContact O-OG1 3.05Å; T200-E203 PolarHBondContact O-N 3.21Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.45Å; T200-I204 PolarHBondContact O-N 2.94Å
201I93Very high92.1Very high103 Ų10363 Ų6353%0.52834%0.336SS..Hα-helixtrans-62.6-44.2173.8-65166.5000110.8I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.15Å; I197-I201 WeakPolarHBondContact O-CG1 3.42Å; I197-I201 PolarHBondContact O-N 2.97Å; L198-I201 PolarHBondContact O-N 3.13Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 2.98Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.05Å; I201-I204 PolarHBondContact O-N 3.02Å; I201-A205 PolarHBondContact O-N 2.88Å; I201-A205 VanDerWaalsContact O-N 3.17Å
202L92.1Very high91.9Very high101 Ų10163 Ų6353%0.52933%0.33SS..Hα-helixtrans-59.6-45.4176179.567.6000111.1L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.47Å; L199-L202 HydrophobicContact CD1-CD2 4.39Å; L199-L202 WeakPolarHBondContact O-CB 3.26Å; L199-L202 PolarHBondContact O-N 3.41Å; L202-I204 PolarHBondContact O-N 3.41Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 3.31Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.21Å; L202-V206 PolarHBondContact O-N 3.47Å
203E90.8Very high91.8Very high14 Ų1463.1 Ų63.17%0.06533%0.333CS..Hα-helixtrans-67-36.9-176.9-161.765.3-16200112L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.45Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; G167-E203 WeakPolarHBondContact CA-OE2 3.47Å; M171-E203 HydrophobicContact CE-CG 4.12Å; L199-E203 PolarHBondContact O-N 2.86Å; T200-E203 PolarHBondContact O-N 3.21Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.05Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.36Å; E203-V206 PolarHBondContact O-N 2.92Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.4Å; E203-A207 PolarHBondContact O-N 3.2Å
204I91.1Very high91.5Very high86 Ų8658.2 Ų58.244%0.44131%0.311SS..Hα-helixtrans-59.5-43.3171.6-67.5164.5000110.6L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.46Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; 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 2.94Å; I201-I204 PolarHBondContact O-N 3.02Å; L202-I204 PolarHBondContact O-N 3.41Å; I204-L208 PolarHBondContact O-N 2.88Å
205A91.9Very high91.3Very high45 Ų4554.5 Ų54.537%0.37229%0.289SS..Hα-helixtrans-65.4-45.9177.100000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.88Å; I201-A205 VanDerWaalsContact O-N 3.17Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 3.31Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.36Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3Å; A205-L208 PolarHBondContact O-N 2.83Å; A205-I209 WeakPolarHBondContact O-CB 3.41Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.36Å; A205-I209 PolarHBondContact O-N 2.89Å
206V91.9Very high91Very high39 Ų3953.4 Ų53.424%0.23628%0.283CS..Hα-helixtrans-61.3-42178.4172.70000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.06Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.21Å; L202-V206 PolarHBondContact O-N 3.47Å; E203-V206 PolarHBondContact O-N 2.92Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.35Å; V206-I209 PolarHBondContact O-N 3.07Å; V206-Q210 WeakPolarHBondContact O-CB 3.37Å; V206-Q210 PolarHBondContact O-N 3.32Å
207A89.5Confident90.6Very high4 Ų453.6 Ų53.63%0.03328%0.284CS..Hα-helixtrans-57.5-42.1178.200000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.93Å; N83-A207 PolarHBondContact ND2-O 2.87Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.4Å; E203-A207 PolarHBondContact O-N 3.2Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3Å; A207-A211 PolarHBondContact O-N 3.2Å
208L89.4Confident90.3Very high111 Ų11150.3 Ų50.358%0.58127%0.267SS*.Hα-helixtrans-75.6-44.2179-170.7146.7000112I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.88Å; A205-L208 PolarHBondContact O-N 2.83Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.35Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.46Å; L208-A211 PolarHBondContact O-N 3.41Å; L208-Y212 PolarHBondContact O-N 3.34Å
209I91Very high89.9Confident97 Ų9745 Ų4550%0.49724%0.241SC..Hα-helixtrans-60.9-40.6177.8-69166.6000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.41Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.36Å; A205-I209 PolarHBondContact O-N 2.89Å; V206-I209 PolarHBondContact O-N 3.07Å; I209-A211 PolarHBondContact O-N 2.84Å; I209-Y212 WeakPolarHBondContact O-CB 3.3Å; I209-Y212 PolarHBondContact O-N 3.42Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.49Å; I209-V213 PolarHBondContact O-N 2.95Å
210Q89.2Confident89.4Confident10 Ų1047.8 Ų47.85%0.04726%0.255CS..Hα-helixtrans-66.6-37.9-177.8-173.563.18.700112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.26Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.26Å; L160-Q210 HydrophobicContact CD1-CB 4.37Å; L160-Q210 HydrophobicContact CD1-CG 3.41Å; L160-Q210 VanDerWaalsContact CD1-CG 3.41Å; L160-Q210 HydrophobicContact CG-CG 4.43Å; V206-Q210 WeakPolarHBondContact O-CB 3.37Å; V206-Q210 PolarHBondContact O-N 3.32Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.46Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.31Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.44Å; Q210-F214 PolarHBondContact O-N 3.03Å
211A89.8Confident88.9Confident1 Ų146.2 Ų46.21%0.00824%0.244CC..Hα-helixtrans-62.3-41.1172.500000111.7I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.45Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; A80-A211 HydrophobicContact CB-CB 3.92Å; A207-A211 PolarHBondContact O-N 3.2Å; L208-A211 PolarHBondContact O-N 3.41Å; I209-A211 PolarHBondContact O-N 2.84Å; A211-T215 WeakPolarHBondContact O-CG2 3.23Å; A211-T215 PolarHBondContact O-N 2.99Å; A211-T215 PolarHBondContact O-OG1 2.97Å
212Y89.9Confident88.4Confident105 Ų10541.4 Ų41.441%0.41222%0.219SC..Hα-helixtrans-65.5-50176.3177.2-100.9000112.5M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.34Å; M57-Y212 HydrophobicContact CE-CE2 4.49Å; I76-Y212 HydrophobicContact CD1-CD2 4.23Å; L208-Y212 PolarHBondContact O-N 3.34Å; I209-Y212 WeakPolarHBondContact O-CB 3.3Å; I209-Y212 PolarHBondContact O-N 3.42Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.31Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 2.91Å; Y212-T215 PolarHBondContact O-N 2.63Å; Y212-T215 PolarHBondContact O-OG1 3.18Å; Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.48Å; Y212-L216 VanDerWaalsContact O-CB 3.29Å; Y212-L216 WeakPolarHBondContact O-CB 3.44Å; Y212-L216 PolarHBondContact O-N 3.3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.34Å
213V90Very high87.9Confident41 Ų4140.4 Ų40.425%0.24821%0.211CC..Hα-helixtrans-62-38.6179.4172.60000111.2I209 L217I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.49Å; I209-V213 PolarHBondContact O-N 2.95Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 WeakPolarHBondContact O-CG 3.5Å; V213-L217 PolarHBondContact O-N 3.1Å
214F87.4Confident87.3Confident1 Ų143.3 Ų43.30%0.00423%0.227CC..Hα-helixtrans-57.9-52.8176.6-173.3-80.6000111.3L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.03Å; L75-F214 HydrophobicContact CD2-CD1 3.87Å; L75-F214 HydrophobicContact CD2-CE1 3.76Å; L75-F214 HydrophobicContact CG-CD1 4.29Å; L75-F214 HydrophobicContact CG-CE1 4.15Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.33Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.65Å; I79-F214 HydrophobicContact CD1-CG 3.72Å; I79-F214 HydrophobicContact CD1-CZ 4.27Å; A105-F214 HydrophobicContact CB-CE2 4.39Å; A105-F214 HydrophobicContact CB-CZ 4.2Å; L108-F214 HydrophobicContact CD1-CE1 4.13Å; L156-F214 HydrophobicContact CD1-CD2 4.13Å; L156-F214 HydrophobicContact CD1-CG 4.45Å; L156-F214 HydrophobicContact CD2-CD1 4.19Å; L156-F214 HydrophobicContact CD2-CD2 3.35Å; L156-F214 HydrophobicContact CD2-CE1 3.98Å; L156-F214 HydrophobicContact CD2-CE2 3.11Å; L156-F214 HydrophobicContact CD2-CG 3.9Å; L156-F214 HydrophobicContact CD2-CZ 3.45Å; L156-F214 VanDerWaalsContact CD2-CZ 3.45Å; L156-F214 HydrophobicContact CG-CD2 3.43Å; L156-F214 VanDerWaalsContact CG-CD2 3.43Å; L156-F214 HydrophobicContact CG-CE2 3.58Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.39Å; L160-F214 HydrophobicContact CD2-CD2 4.47Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.44Å; Q210-F214 PolarHBondContact O-N 3.03Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 2.91Å; F214-L217 PolarHBondContact O-N 3.24Å; F214-V218 HydrophobicContact CD1-CG2 4.38Å; F214-V218 HydrophobicContact CE1-CG2 4.2Å; F214-V218 WeakPolarHBondContact O-CG2 3.42Å; F214-V218 PolarHBondContact O-N 3.04Å
215T89.1Confident86.5Confident0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-71.5-34.8-176.852.60000113M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.38Å; L75-T215 HydrophobicContact CB-CG2 4.11Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.75Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 VanDerWaalsContact CB-CG2 3.5Å; I76-T215 HydrophobicContact CG1-CG2 4.16Å; A211-T215 WeakPolarHBondContact O-CG2 3.23Å; A211-T215 PolarHBondContact O-N 2.99Å; A211-T215 PolarHBondContact O-OG1 2.97Å; Y212-T215 PolarHBondContact O-N 2.63Å; Y212-T215 PolarHBondContact O-OG1 3.18Å; T215-V218 PolarHBondContact O-N 3.25Å; T215-S219 WeakPolarHBondContact O-CB 3.43Å; T215-S219 PolarHBondContact O-N 3.22Å
216L88.2Confident85.4Confident63 Ų6339.8 Ų39.833%0.3320%0.204SC..Hα-helixtrans-63-44.4174.8-175.4149.7000111.5Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.48Å; Y212-L216 VanDerWaalsContact O-CB 3.29Å; Y212-L216 WeakPolarHBondContact O-CB 3.44Å; Y212-L216 PolarHBondContact O-N 3.3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.34Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.39Å; L216-S219 PolarHBondContact O-N 3.19Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 3.03Å; L216-L220 PolarHBondContact O-N 3.15Å
217L86.4Confident85Confident36 Ų3639.8 Ų39.819%0.18820%0.202CC..Hα-helixtrans-63.3-43.7177.7-76.9166.5000111.7L156 R159 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.85Å; L156-L217 HydrophobicContact CD1-CD1 3.44Å; L156-L217 VanDerWaalsContact CD1-CD1 3.44Å; L156-L217 HydrophobicContact CD1-CG 4.28Å; R159-L217 VanDerWaalsContact NH1-CD1 3.34Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 WeakPolarHBondContact O-CG 3.5Å; V213-L217 PolarHBondContact O-N 3.1Å; F214-L217 PolarHBondContact O-N 3.24Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.48Å; L217-L220 PolarHBondContact O-N 2.81Å; L217-Y221 HydrophobicContact CB-CE2 4.17Å; L217-Y221 WeakPolarHBondContact O-CD2 3.39Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 PolarHBondContact O-N 3.15Å
218V85.7Confident84.8Confident7 Ų741.7 Ų41.74%0.04221%0.211CC..Hα-helixtrans-59.2-40.2173.1178.20000111.4L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.17Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å; L108-V218 HydrophobicContact CB-CG1 4.33Å; L156-V218 HydrophobicContact CD2-CG2 4.32Å; F214-V218 HydrophobicContact CD1-CG2 4.38Å; F214-V218 HydrophobicContact CE1-CG2 4.2Å; F214-V218 WeakPolarHBondContact O-CG2 3.42Å; F214-V218 PolarHBondContact O-N 3.04Å; T215-V218 PolarHBondContact O-N 3.25Å; V218-Y221 PolarHBondContact O-N 2.99Å; V218-L222 PolarHBondContact O-N 3.48Å
219S86.3Confident84.5Confident11 Ų1137.8 Ų37.88%0.07719%0.191CC..Hα-helixtrans-66.8-38.6177.286.40000112.1H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.21Å; T215-S219 WeakPolarHBondContact O-CB 3.43Å; T215-S219 PolarHBondContact O-N 3.22Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.39Å; L216-S219 PolarHBondContact O-N 3.19Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 3.03Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.48Å; S219-L222 WeakPolarHBondContact O-CB 3.34Å; S219-L222 PolarHBondContact O-N 3.42Å; S219-H223 PolarHBondContact O-N 2.86Å
220L84.4Confident84.2Confident76 Ų7634.4 Ų34.440%0.39817%0.173SC..Hα-helixtrans-65.6-42.3176.4-170.8146.7000111.1L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.15Å; L217-L220 PolarHBondContact O-N 2.81Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.36Å; L220-H223 WeakPolarHBondContact O-CA 3.39Å; L220-H223 WeakPolarHBondContact O-CB 3.26Å; L220-H223 PolarHBondContact O-N 3.3Å; L220-H223 VanDerWaalsContact O-N 3.08Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.36Å; L220-D224 PolarHBondContact O-N 3.39Å
221Y80.1Confident83.9Confident20 Ų2035.9 Ų35.98%0.07818%0.181CC..Hα-helixtrans-61.4-37.6173.2-61.8-49.1000112.6Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.35Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.41Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.3Å; Q152-Y221 PolarHBondContact NE2-OH 3.26Å; Q152-Y221 PolarHBondContact OE1-OH 3.45Å; L217-Y221 HydrophobicContact CB-CE2 4.17Å; L217-Y221 WeakPolarHBondContact O-CD2 3.39Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 PolarHBondContact O-N 3.15Å; V218-Y221 PolarHBondContact O-N 2.99Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; Y221-N225 VanDerWaalsContact O-CB 3.32Å; Y221-N225 WeakPolarHBondContact O-CB 3.4Å; Y221-N225 PolarHBondContact O-N 3.48Å; Y221-N225 VanDerWaalsContact O-N 3.15Å; Y221-N225 PolarHBondContact O-ND2 3.11Å
222L81.7Confident83.5Confident1 Ų138.2 Ų38.21%0.00519%0.192CC..Hα-helixtrans-64.4-42.7175.3-170.472.2000110.4W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.63Å; W68-L222 HydrophobicContact CD2-CD2 4.01Å; W68-L222 HydrophobicContact CD2-CG 4.49Å; W68-L222 HydrophobicContact CE3-CD1 3.69Å; W68-L222 HydrophobicContact CE3-CD2 4.18Å; W68-L222 HydrophobicContact CG-CD1 4.02Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; W68-L222 HydrophobicContact CZ3-CD1 4.22Å; A112-L222 HydrophobicContact CB-CD1 4.49Å; M115-L222 HydrophobicContact SD-CD1 4.25Å; V218-L222 PolarHBondContact O-N 3.48Å; S219-L222 WeakPolarHBondContact O-CB 3.34Å; S219-L222 PolarHBondContact O-N 3.42Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.36Å; L222-N225 PolarHBondContact O-N 2.97Å; L222-T226 HydrophobicContact CD1-CG2 4.27Å; L222-T226 HydrophobicContact CG-CG2 4.24Å; L222-T226 WeakPolarHBondContact O-CB 3.16Å; L222-T226 WeakPolarHBondContact O-CG2 3.28Å; L222-T226 PolarHBondContact O-N 3.46Å; L222-T226 VanDerWaalsContact O-N 3.08Å; L222-T226 PolarHBondContact O-OG1 3.37Å
223H81.6Confident83Confident80 Ų8033.4 Ų33.437%0.3718%0.176SC..Hα-helixtrans-59.3-50.9176.8-175.185.3000112M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.39Å; M60-H223 PolarHBondContact O-ND1 3.4Å; S219-H223 PolarHBondContact O-N 2.86Å; L220-H223 WeakPolarHBondContact O-CA 3.39Å; L220-H223 WeakPolarHBondContact O-CB 3.26Å; L220-H223 PolarHBondContact O-N 3.3Å; L220-H223 VanDerWaalsContact O-N 3.08Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; H223-N225 PolarHBondContact O-N 3.36Å; H223-T226 PolarHBondContact O-N 3.17Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 2.8Å
224D78.1Confident82.5Confident76 Ų7632.8 Ų32.841%0.40617%0.171SC..Hα-helixtrans-60.8-31-179.7-65.5-15.9000112.4L220L220-D224 WeakPolarHBondContact CD2-OD2 3.36Å; L220-D224 PolarHBondContact O-N 3.39Å
225N74Confident82Confident31 Ų3135.5 Ų35.517%0.16619%0.185CC..Hα-helixtrans-91.2-3.9180-74.6-67.4000114.4G116 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.22Å; G116-N225 WeakPolarHBondContact CA-O 2.97Å; Y221-N225 VanDerWaalsContact O-CB 3.32Å; Y221-N225 WeakPolarHBondContact O-CB 3.4Å; Y221-N225 PolarHBondContact O-N 3.48Å; Y221-N225 VanDerWaalsContact O-N 3.15Å; Y221-N225 PolarHBondContact O-ND2 3.11Å; L222-N225 PolarHBondContact O-N 2.97Å; H223-N225 PolarHBondContact O-N 3.36Å
226T68.9Low81.4Confident25 Ų2538.7 Ų38.715%0.15320%0.201CC..  trans-111.60-179.158.30000114.4K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.42Å; K120-T226 PolarHBondContact NZ-O 3.45Å; L222-T226 HydrophobicContact CD1-CG2 4.27Å; L222-T226 HydrophobicContact CG-CG2 4.24Å; L222-T226 WeakPolarHBondContact O-CB 3.16Å; L222-T226 WeakPolarHBondContact O-CG2 3.28Å; L222-T226 PolarHBondContact O-N 3.46Å; L222-T226 VanDerWaalsContact O-N 3.08Å; L222-T226 PolarHBondContact O-OG1 3.37Å; H223-T226 PolarHBondContact O-N 3.17Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 2.8Å

Retrieved 226 of 226 residues in 145.3 ms (Link to these results)

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