A0A076MLZ1_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A076MLZ1, 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
1M56.8Low74.5Confident201 Ų20198.5 Ų98.599%0.9953%0.531SS*.  0-38.10-74.7175.6114.300112.6E3 N4M1-E3 PolarHBondContact O-N 3.43Å; M1-N4 PolarHBondContact O-N 3.29Å
2N53.3Low75.3Confident143 Ų14393.5 Ų93.577%0.76551%0.508SS*.THydrogen-bonded Turntrans-58.4-39.4-177-83.418.4000115.6
3E61Low76.2Confident161 Ų16194 Ų9475%0.75252%0.516SS*.THydrogen-bonded Turntrans-81.7-20.9-177.9-62-131.4151.800113.9M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.43Å; E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.36Å; E3-F6 PolarHBondContact O-N 3.39Å; E3-A7 PolarHBondContact O-N 3.35Å; E3-A7 VanDerWaalsContact O-N 3.11Å
4N75.4Confident77Confident116 Ų11695.1 Ų95.162%0.6252%0.519SS*.THydrogen-bonded Turntrans-69-28.8-175.8-65.67.7000112.1M1M1-N4 PolarHBondContact O-N 3.29Å
5L76.5Confident77.5Confident44 Ų44100.4 Ų100.423%0.2355%0.546CS..THydrogen-bonded Turntrans-68.8-35.9178.1-66.9178.5000112.3E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.36Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.4Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.11Å; L5-L173 HydrophobicContact CD1-CD2 4.04Å; L5-L173 HydrophobicContact CD2-CD2 4.31Å
6F82.9Confident78Confident116 Ų11698.5 Ų98.551%0.50956%0.557SS.*THydrogen-bonded Turntrans-94-9.7-176.6-66.7-76.2000113.7E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.39Å; F6-S8 PolarHBondContact O-N 3.13Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.34Å; F6-F9 PolarHBondContact O-N 3.05Å; F6-L169 HydrophobicContact CD1-CD2 4.38Å; F6-L169 HydrophobicContact CE1-CD1 4.08Å; F6-L169 HydrophobicContact CE1-CD2 4.04Å; F6-L169 HydrophobicContact CZ-CD2 4.46Å
7A80.7Confident78.4Confident54 Ų54100.2 Ų100.245%0.44656%0.563SS.*G310 helixtrans-55.1-32.6179.700000113.1E3 F9 I10E3-A7 PolarHBondContact O-N 3.35Å; E3-A7 VanDerWaalsContact O-N 3.11Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.32Å; A7-I10 PolarHBondContact O-N 2.85Å
8S80.1Confident78.8Confident59 Ų5998.9 Ų98.941%0.41356%0.559SS.*G310 helixtrans-68.7-20.1176.857.40000114.2F6 F92F6-S8 PolarHBondContact O-N 3.13Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 3.41Å
9F83.3Confident79.2Confident22 Ų2294.6 Ų94.610%0.09654%0.538CS..G310 helixtrans-93.5-9.7177.8-58.3-69.6000112.9F6 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 4.34Å; F6-F9 PolarHBondContact O-N 3.05Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.32Å; F9-A11 PolarHBondContact O-N 3.13Å; F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; F9-Q97 PolarHBondContact O-NE2 3.04Å; F9-T165 HydrophobicContact CD1-CG2 4.39Å; F9-T165 HydrophobicContact CE1-CG2 4.1Å; F9-H168 HydrophobicContact CE1-CB 4.08Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; F9-L169 HydrophobicContact CE2-CD1 4.41Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.74Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.9Å
10I85.3Confident79.5Confident115 Ų11590.9 Ų90.959%0.5952%0.519SS*.SBendtrans-69.5130.1178.3-59.5175.5000108.6A7 P12A7-I10 PolarHBondContact O-N 2.85Å; I10-P12 WeakPolarHBondContact O-CD 3.49Å
11A83.8Confident79.8Confident52 Ų5290.4 Ų90.443%0.4352%0.518SS..PPolyproline II helixtrans-59.1120.9179.900000110.3F9 T13F9-A11 PolarHBondContact O-N 3.13Å; A11-T13 PolarHBondContact O-N 3.36Å
12P84.4Confident81.2Confident39 Ų3987 Ų8725%0.25350%0.503SS..PPolyproline II helixtrans-71.4128.4-174.227.1-33.4000110.3I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.49Å; P12-A19 HydrophobicContact CB-CB 4.21Å; P12-A19 HydrophobicContact CG-CB 4.32Å; P12-A19 WeakPolarHBondContact O-CB 3.11Å; P12-A19 PolarHBondContact O-N 3.01Å; P12-I23 HydrophobicContact CG-CD1 3.69Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.14Å; P12-F92 HydrophobicContact CG-CG 4.11Å
13T86.9Confident82.8Confident100 Ų10082 Ų8261%0.61348%0.475SS*.EExtended strand (participates in β ladder)trans-118.7128170.654.50000108.7A11 L17A11-T13 PolarHBondContact O-N 3.36Å; T13-L17 CarbonylContact C-O 3.56Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.35Å
14I87.3Confident84.1Confident110 Ų11076.8 Ų76.856%0.56445%0.452SS*.EExtended strand (participates in β ladder)trans-113121.8175.8-63.9171.9000106.4G16 L17 A19I14-G16 PolarHBondContact O-N 3.41Å; I14-G16 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact N-O 3.36Å; I14-L17 PolarHBondContact O-N 2.96Å; I14-A19 HydrophobicContact CB-CB 4.5Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.93Å
15L85.3Confident84.6Confident174 Ų17476.8 Ų76.891%0.91145%0.452SS*.THydrogen-bonded Turntrans53.633.6179.3-71.9149.7000113.5L17L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.93Å
16G84.5Confident85.1Confident70 Ų7077.6 Ų77.672%0.72246%0.456SS*.THydrogen-bonded Turntrans79.3-2.9-177.600000115.3I14I14-G16 PolarHBondContact O-N 3.41Å; I14-G16 VanDerWaalsContact O-N 3.14Å
17L85.2Confident85.3Confident127 Ų12772.2 Ų72.267%0.66543%0.433SS*.EExtended strand (participates in β ladder)trans-92.5139.8173-66.3169.2000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.56Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.35Å; I14-L17 PolarHBondContact N-O 3.36Å; I14-L17 PolarHBondContact O-N 2.96Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.93Å; L17-A19 PolarHBondContact O-N 3.48Å
18P85.5Confident85.5Confident77 Ų7773 Ų7350%0.543%0.433SS..EExtended strand (participates in β ladder)trans-71.4101.5178.129.1-33.5000110.6A20 V21P18-A20 PolarHBondContact O-N 2.98Å; P18-V21 HydrophobicContact CB-CG2 4.41Å; P18-V21 HydrophobicContact CG-CG2 4.15Å; P18-V21 PolarHBondContact O-N 3.28Å
19A85.9Confident85.8Confident18 Ų1877.2 Ų77.215%0.14945%0.45CS..THydrogen-bonded Turntrans-67.8-18176.900000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.21Å; P12-A19 HydrophobicContact CG-CB 4.32Å; P12-A19 WeakPolarHBondContact O-CB 3.11Å; P12-A19 PolarHBondContact O-N 3.01Å; I14-A19 HydrophobicContact CB-CB 4.5Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.93Å; L17-A19 PolarHBondContact O-N 3.48Å; A19-V21 PolarHBondContact O-N 3.47Å; A19-L22 PolarHBondContact O-N 2.98Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A19-I23 PolarHBondContact O-N 3.17Å
20A85.8Confident86Confident20 Ų2080.3 Ų80.317%0.16547%0.468CS..Hα-helixtrans-53.6-33.4173.500000113.3P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.98Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3Å; A20-I23 PolarHBondContact O-N 3.11Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 2.95Å; A20-F92 HydrophobicContact CB-CE1 4.36Å
21V85.5Confident86.1Confident81 Ų8177.2 Ų77.249%0.49145%0.452SS..Hα-helixtrans-63.1-42.3178.6179.50000111.1P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.41Å; P18-V21 HydrophobicContact CG-CG2 4.15Å; P18-V21 PolarHBondContact O-N 3.28Å; A19-V21 PolarHBondContact O-N 3.47Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.29Å; V21-I24 PolarHBondContact O-N 3.07Å; V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 3.3Å; V21-L25 PolarHBondContact O-N 3.46Å; V21-L25 VanDerWaalsContact O-N 3.1Å
22L86.1Confident86.2Confident129 Ų12977.4 Ų77.468%0.67545%0.449SS*.Hα-helixtrans-65.9-37.8178.9-171.2138.5000111.3A19 A20 L25 L26A19-L22 PolarHBondContact O-N 2.98Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3Å; L22-L25 PolarHBondContact O-N 2.84Å; L22-L26 PolarHBondContact O-N 2.98Å
23I87.6Confident86.3Confident37 Ų3782 Ų8219%0.1948%0.476CS..Hα-helixtrans-66.4-41.3177-58.5171.1000110.8P12 A19 A20 V21 L25 L26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.69Å; A19-I23 PolarHBondContact O-N 3.17Å; A20-I23 PolarHBondContact O-N 3.11Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.29Å; I23-L25 VanDerWaalsContact C-N 3.27Å; I23-L25 PolarHBondContact O-N 3.48Å; I23-L26 WeakPolarHBondContact O-CB 3.22Å; I23-L26 PolarHBondContact O-N 3.44Å; I23-P27 WeakPolarHBondContact O-CD 3.31Å; I23-F92 HydrophobicContact CD1-CB 4Å; I23-F92 HydrophobicContact CD1-CD1 3.86Å; I23-F92 HydrophobicContact CD1-CG 4.32Å
24I88.2Confident86.3Confident52 Ų5279 Ų7927%0.26746%0.459SS..Hα-helixtrans-65.7-30.3177-68.6164.1000112A20 V21 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 2.95Å; V21-I24 PolarHBondContact O-N 3.07Å; I24-P27 WeakPolarHBondContact O-CD 3.45Å; I24-F78 HydrophobicContact CG2-CZ 4.31Å; I24-P94 HydrophobicContact CD1-CB 4.3Å; I24-P94 HydrophobicContact CG1-CB 3.74Å; I24-P94 HydrophobicContact CG1-CG 4.09Å; I24-M100 HydrophobicContact CD1-SD 4.48Å; I24-M100 HydrophobicContact CG2-CE 4.27Å
25L86.9Confident86.3Confident116 Ų11684 Ų8461%0.60748%0.477SS*.Hα-helixtrans-82.2-11.7178.7-72.2171.6000114.2V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 3.3Å; V21-L25 PolarHBondContact O-N 3.46Å; V21-L25 VanDerWaalsContact O-N 3.1Å; L22-L25 PolarHBondContact O-N 2.84Å; I23-L25 VanDerWaalsContact C-N 3.27Å; I23-L25 PolarHBondContact O-N 3.48Å; L25-P28 WeakPolarHBondContact O-CD 2.93Å
26L87Confident86.4Confident62 Ų6284.6 Ų84.633%0.32547%0.468SS..Hα-helixtrans-68.9-43.4-177.4-163.9156.8000114.2L22 I23 L29 L30 L85L22-L26 PolarHBondContact O-N 2.98Å; I23-L26 WeakPolarHBondContact O-CB 3.22Å; I23-L26 PolarHBondContact O-N 3.44Å; L26-L29 WeakPolarHBondContact O-CB 3.27Å; L26-L29 PolarHBondContact O-N 3.11Å; L26-L30 HydrophobicContact CD2-CD1 3.64Å; L26-L30 HydrophobicContact CD2-CD2 4.45Å; L26-L30 HydrophobicContact CD2-CG 3.95Å; L26-L30 PolarHBondContact O-N 3.43Å; L26-L85 HydrophobicContact CD1-CD2 4.49Å; L26-L85 HydrophobicContact CD2-CD1 4.02Å; L26-L85 HydrophobicContact CD2-CD2 3.62Å; L26-L85 HydrophobicContact CD2-CG 4.48Å
27P86.9Confident86.1Confident2 Ų289.7 Ų89.71%0.01348%0.478CS..Hα-helixtrans-57.5-43.4-179.4-11.316.2000115I23 I24 L29 L30 T81 T82I23-P27 WeakPolarHBondContact O-CD 3.31Å; I24-P27 WeakPolarHBondContact O-CD 3.45Å; P27-L29 PolarHBondContact O-N 3.31Å; P27-L30 WeakPolarHBondContact O-CB 3.47Å; P27-L30 PolarHBondContact O-N 3.27Å; P27-L30 VanDerWaalsContact O-N 3.16Å; P27-T81 VanDerWaalsContact CB-OG1 3.31Å; P27-T81 WeakPolarHBondContact CB-OG1 3.46Å; P27-T82 HydrophobicContact CB-CG2 4.17Å; P27-T82 HydrophobicContact CG-CG2 3.36Å
28P83.9Confident86.1Confident71 Ų7191 Ų9146%0.46148%0.484SS..Hα-helixtrans-56.4-35.3172.6-26.432.8000114L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 2.93Å; P28-L30 VanDerWaalsContact C-N 3.28Å; P28-L30 PolarHBondContact O-N 3.2Å; P28-I31 PolarHBondContact O-N 3.11Å
29L87.2Confident86.4Confident147 Ų14788.6 Ų88.677%0.7747%0.467SS*.Hα-helixtrans-69.4-26.7-179.8-173.165.6000112.5L26 P27 I31L26-L29 WeakPolarHBondContact O-CB 3.27Å; L26-L29 PolarHBondContact O-N 3.11Å; P27-L29 PolarHBondContact O-N 3.31Å; L29-I31 PolarHBondContact O-N 3.01Å
30L86.6Confident86.6Confident88 Ų8893.2 Ų93.246%0.46149%0.489SS..THydrogen-bonded Turntrans-74.1-4.6177.7-66.8171.3000113.7L26 P27 P28 P32 L85L26-L30 HydrophobicContact CD2-CD1 3.64Å; L26-L30 HydrophobicContact CD2-CD2 4.45Å; L26-L30 HydrophobicContact CD2-CG 3.95Å; L26-L30 PolarHBondContact O-N 3.43Å; P27-L30 WeakPolarHBondContact O-CB 3.47Å; P27-L30 PolarHBondContact O-N 3.27Å; P27-L30 VanDerWaalsContact O-N 3.16Å; P28-L30 VanDerWaalsContact C-N 3.28Å; P28-L30 PolarHBondContact O-N 3.2Å; L30-P32 VanDerWaalsContact C-CD 3.44Å; L30-P32 WeakPolarHBondContact O-CD 3.25Å; L30-L85 HydrophobicContact CD1-CD1 3.33Å
31I87.7Confident86.8Confident49 Ų49102.3 Ų102.325%0.25152%0.519SS..SBendtrans-106.582.7-177.5-55.7170000108.5P28 L29 T33 Q46 I77P28-I31 PolarHBondContact O-N 3.11Å; L29-I31 PolarHBondContact O-N 3.01Å; I31-T33 PolarHBondContact O-N 3.49Å; I31-Q46 VanDerWaalsContact CG1-NE2 3.33Å; I31-I77 HydrophobicContact CD1-CG2 3.42Å; I31-I77 VanDerWaalsContact CD1-CG2 3.42Å; I31-I77 HydrophobicContact CG1-CG2 4.44Å
32P86.3Confident87Confident57 Ų57102.8 Ų102.837%0.3752%0.518SS..  trans-70134.6-179.928.2-34.2000111L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.44Å; L30-P32 WeakPolarHBondContact O-CD 3.25Å; P32-L42 HydrophobicContact CG-CD2 3.52Å; P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.5Å; P32-I43 HydrophobicContact CG-CG1 4.02Å
33T86.7Confident87.3Confident134 Ų13497.5 Ų97.582%0.82249%0.491SS*.  trans-102.9134.6171.759.60000110.3I31I31-T33 PolarHBondContact O-N 3.49Å
34S87.1Confident87.5Confident37 Ų3798.8 Ų98.826%0.25950%0.501SS..  trans-112144.7171.9166.80000110.9Y36 N39 I43S34-Y36 PolarHBondContact OG-N 3.46Å; S34-N39 WeakPolarHBondContact CB-OD1 3.5Å; S34-N39 PolarHBondContact OG-OD1 3.27Å; S34-I43 VanDerWaalsContact CB-CD1 3.5Å
35K86.2Confident87.6Confident217 Ų217100.5 Ų100.594%0.94351%0.514SS*.  trans-86.7-13.3172.5-63.3-178.1-179178.60113.1
36Y86.8Confident87.8Confident186 Ų18696.8 Ų96.873%0.72949%0.493SS*.SBendtrans-80.3155-175.9-60.9-74.7000111.9S34 N39S34-Y36 PolarHBondContact OG-N 3.46Å; Y36-N39 PolarHBondContact O-ND2 2.92Å; Y36-N39 PolarHBondContact O-OD1 3.06Å
37L79.4Confident88Confident177 Ų17798.6 Ų98.693%0.92750%0.5SS*.SBendtrans-73-40.5176.6-17273.6000111.5
38I85.9Confident88.2Confident155 Ų155106.4 Ų106.480%0.79553%0.529SS*.SBendtrans-100.7113.4174.7-58.4170.3000107.2
39N89.9Confident88.6Confident25 Ų25107.6 Ų107.613%0.13453%0.531CS..  trans-106.4167.7-173.2-72.6-19.8000112.7S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.5Å; S34-N39 PolarHBondContact OG-OD1 3.27Å; Y36-N39 PolarHBondContact O-ND2 2.92Å; Y36-N39 PolarHBondContact O-OD1 3.06Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.82Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.49Å; N39-T44 HydrophobicContact CB-CG2 4.05Å; N39-Q47 PolarHBondContact ND2-NE2 3.19Å
40N90.3Very high88.8Confident115 Ų115103.1 Ų103.162%0.61551%0.507SS*.  trans-63152.8171.1-166.10.4000110.9L42 I43 T44N40-L42 PolarHBondContact O-N 2.83Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 PolarHBondContact O-N 3.21Å; N40-T44 PolarHBondContact O-N 3.27Å
41R89.9Confident89Confident211 Ų211106.1 Ų106.180%0.79652%0.517SS*.Hα-helixtrans-51.7-38.3-178.3-64.8-177.2-179.7-178.60.2113.2T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.28Å; R41-T44 PolarHBondContact O-N 3.38Å; R41-T44 PolarHBondContact O-OG1 2.87Å; R41-T45 WeakPolarHBondContact O-CG2 3.42Å; R41-T45 PolarHBondContact O-N 3.43Å; R41-T45 PolarHBondContact O-OG1 3.44Å
42L90.2Very high89.2Confident91 Ų91107 Ų10748%0.47652%0.521SS..Hα-helixtrans-65.3-43.1177.8-173.4155.8000111.7P32 N40 T44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.52Å; N40-L42 PolarHBondContact O-N 2.83Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T44 VanDerWaalsContact C-N 3.35Å; L42-T45 PolarHBondContact O-OG1 3.47Å; L42-Q46 VanDerWaalsContact O-CB 3.24Å; L42-Q46 WeakPolarHBondContact O-CB 3.39Å; L42-Q46 PolarHBondContact O-N 3.34Å
43I92Very high89.3Confident19 Ų19105.4 Ų105.410%0.09751%0.511CS..Hα-helixtrans-70.3-36.3-180-59.9174.8000110P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.5Å; P32-I43 HydrophobicContact CG-CG1 4.02Å; S34-I43 VanDerWaalsContact CB-CD1 3.5Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.82Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.49Å; N40-I43 PolarHBondContact O-N 3.21Å; I43-Q46 PolarHBondContact O-N 3.41Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.45Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.19Å; I43-Q47 PolarHBondContact O-N 2.95Å
44T91.8Very high89.4Confident64 Ų64100.4 Ų100.439%0.39348%0.481SS..Hα-helixtrans-68.6-42177.959.80000112.3N39 N40 R41 L42 Q46 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.05Å; N40-T44 PolarHBondContact O-N 3.27Å; R41-T44 WeakPolarHBondContact CA-OG1 3.28Å; R41-T44 PolarHBondContact O-N 3.38Å; R41-T44 PolarHBondContact O-OG1 2.87Å; L42-T44 VanDerWaalsContact C-N 3.35Å; T44-Q46 VanDerWaalsContact C-N 3.32Å; T44-Q47 PolarHBondContact O-N 3.3Å; T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.43Å; T44-W48 PolarHBondContact O-N 3.14Å
45T91.4Very high89.5Confident88 Ų88105.9 Ų105.954%0.5450%0.5SS..Hα-helixtrans-65.1-38.7174.456.30000111.4R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.42Å; R41-T45 PolarHBondContact O-N 3.43Å; R41-T45 PolarHBondContact O-OG1 3.44Å; L42-T45 PolarHBondContact O-OG1 3.47Å; T45-W48 PolarHBondContact O-N 3.14Å; T45-L49 WeakPolarHBondContact O-CB 3.18Å; T45-L49 PolarHBondContact O-N 3.09Å
46Q90.9Very high89.6Confident38 Ų38101.2 Ų101.218%0.17848%0.482CS..Hα-helixtrans-65.3-47176.6-168.9169.224.500112.4I31 L42 I43 T44 W48 L49 I50I31-Q46 VanDerWaalsContact CG1-NE2 3.33Å; L42-Q46 VanDerWaalsContact O-CB 3.24Å; L42-Q46 WeakPolarHBondContact O-CB 3.39Å; L42-Q46 PolarHBondContact O-N 3.34Å; I43-Q46 PolarHBondContact O-N 3.41Å; T44-Q46 VanDerWaalsContact C-N 3.32Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3Å; Q46-L49 PolarHBondContact O-N 3Å; Q46-I50 HydrophobicContact CG-CD1 4.13Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.44Å; Q46-I50 PolarHBondContact O-N 3.05Å
47Q90.6Very high89.5Confident99 Ų9993 Ų9346%0.46345%0.45SS..Hα-helixtrans-61.4-38.8175-75.1175.8-14.200112N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.19Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.45Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.19Å; I43-Q47 PolarHBondContact O-N 2.95Å; T44-Q47 PolarHBondContact O-N 3.3Å; Q47-K51 WeakPolarHBondContact O-CB 3.03Å; Q47-K51 PolarHBondContact O-N 3.46Å
48W92.6Very high89.8Confident167 Ų16785.5 Ų85.563%0.63341%0.411SS*.Hα-helixtrans-63.2-45.5175.4-178.281.6000111.7T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.43Å; T44-W48 PolarHBondContact O-N 3.14Å; T45-W48 PolarHBondContact O-N 3.14Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3Å; W48-K51 PolarHBondContact O-N 2.94Å; W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.4Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.59Å; W48-L52 WeakPolarHBondContact O-CG 3.32Å; W48-L52 PolarHBondContact O-N 3.16Å
49L91Very high89.7Confident96 Ų9682.9 Ų82.950%0.50340%0.402SS..Hα-helixtrans-62.3-45177.3-168.7138.5000111.7T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.18Å; T45-L49 PolarHBondContact O-N 3.09Å; Q46-L49 PolarHBondContact O-N 3Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.35Å; L49-L52 PolarHBondContact O-N 3.28Å; L49-T53 HydrophobicContact CD2-CG2 4.29Å; L49-T53 WeakPolarHBondContact O-CG2 3.39Å; L49-T53 PolarHBondContact O-N 3.3Å; L49-T53 PolarHBondContact O-OG1 3.28Å; L49-T53 VanDerWaalsContact O-OG1 3.12Å
50I91.6Very high89.1Confident52 Ų5288.2 Ų88.227%0.26743%0.428SS..Hα-helixtrans-61.3-40.6176.3-66.6170.8000111.4Q46 L52 T53 S54 V73 I77Q46-I50 HydrophobicContact CG-CD1 4.13Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.44Å; Q46-I50 PolarHBondContact O-N 3.05Å; I50-L52 VanDerWaalsContact C-N 3.34Å; I50-T53 PolarHBondContact O-OG1 2.78Å; I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.2Å; I50-S54 PolarHBondContact O-N 2.78Å; I50-S54 PolarHBondContact O-OG 2.85Å; I50-V73 HydrophobicContact CG2-CG1 3.8Å; I50-I77 HydrophobicContact CD1-CD1 3.87Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å
51K91.4Very high88.8Confident151 Ų15183 Ų8366%0.65740%0.4SS*.Hα-helixtrans-66.3-37.6178.4-173.7176.1-179.71780111.8Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.03Å; Q47-K51 PolarHBondContact O-N 3.46Å; W48-K51 PolarHBondContact O-N 2.94Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.35Å; K51-S54 WeakPolarHBondContact CA-OG 3.4Å; K51-S54 PolarHBondContact O-OG 3.27Å; K51-S54 VanDerWaalsContact O-OG 3.11Å; K51-K55 WeakPolarHBondContact O-CB 3.31Å; K51-K55 PolarHBondContact O-N 3.43Å
52L91.5Very high88.3Confident68 Ų6878.2 Ų78.236%0.35639%0.39SS..Hα-helixtrans-69.1-49.8177.5-74.1177.4000112W48 L49 I50 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.4Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.59Å; W48-L52 WeakPolarHBondContact O-CG 3.32Å; W48-L52 PolarHBondContact O-N 3.16Å; L49-L52 PolarHBondContact O-N 3.28Å; I50-L52 VanDerWaalsContact C-N 3.34Å; L52-K55 PolarHBondContact O-N 2.97Å; L52-Q56 WeakPolarHBondContact O-CG 3.39Å; L52-Q56 PolarHBondContact O-N 3.36Å
53T88.6Confident87.8Confident24 Ų2479.5 Ų79.515%0.14740%0.402CS..Hα-helixtrans-63.1-45.6-178.953.90000111.3L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.29Å; L49-T53 WeakPolarHBondContact O-CG2 3.39Å; L49-T53 PolarHBondContact O-N 3.3Å; L49-T53 PolarHBondContact O-OG1 3.28Å; L49-T53 VanDerWaalsContact O-OG1 3.12Å; I50-T53 PolarHBondContact O-OG1 2.78Å; T53-K55 PolarHBondContact O-N 3.14Å; T53-Q56 PolarHBondContact O-N 3.19Å; T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 2.92Å
54S89.3Confident87.2Confident28 Ų2884.4 Ų84.420%0.19642%0.423CS..Hα-helixtrans-60.7-45.517557.70000111.7I50 K51 Q56 M57 M58I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.2Å; I50-S54 PolarHBondContact O-N 2.78Å; I50-S54 PolarHBondContact O-OG 2.85Å; K51-S54 WeakPolarHBondContact CA-OG 3.4Å; K51-S54 PolarHBondContact O-OG 3.27Å; K51-S54 VanDerWaalsContact O-OG 3.11Å; S54-Q56 VanDerWaalsContact C-N 3.33Å; S54-Q56 PolarHBondContact O-N 2.9Å; S54-M57 PolarHBondContact O-N 3.48Å; S54-M58 WeakPolarHBondContact O-CB 3.35Å; S54-M58 WeakPolarHBondContact O-CE 3.31Å; S54-M58 PolarHBondContact O-N 3.09Å
55K89.3Confident86.6Confident152 Ų15281.4 Ų81.466%0.66140%0.404SS*.Hα-helixtrans-59.2-44.7178.5-174.8179.4178.1-174.90111.7K51 L52 T53 T59K51-K55 WeakPolarHBondContact O-CB 3.31Å; K51-K55 PolarHBondContact O-N 3.43Å; L52-K55 PolarHBondContact O-N 2.97Å; T53-K55 PolarHBondContact O-N 3.14Å; K55-T59 WeakPolarHBondContact O-CG2 3.35Å; K55-T59 PolarHBondContact O-N 2.99Å
56Q86.9Confident86.2Confident120 Ų12083.7 Ų83.756%0.56140%0.403SS*.Hα-helixtrans-68.4-40.9-179.3-73.8179.6-25.300113L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.39Å; L52-Q56 PolarHBondContact O-N 3.36Å; T53-Q56 PolarHBondContact O-N 3.19Å; S54-Q56 VanDerWaalsContact C-N 3.33Å; S54-Q56 PolarHBondContact O-N 2.9Å; Q56-T59 PolarHBondContact O-OG1 3.43Å
57M84.9Confident86Confident13 Ų1386.7 Ų86.76%0.06442%0.424CS..Hα-helixtrans-71.6-38.4179.2-70.3-177.617100112.4T53 S54 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 2.92Å; S54-M57 PolarHBondContact O-N 3.48Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.38Å; M57-H61 PolarHBondContact O-ND1 2.88Å; M57-L72 HydrophobicContact SD-CB 4.36Å; M57-I76 HydrophobicContact CE-CD1 3.65Å; M57-Y212 HydrophobicContact CE-CD2 4.42Å; M57-T215 WeakPolarHBondContact CE-OG1 3.31Å
58M85.4Confident85.9Confident20 Ų2084 Ų8410%0.09941%0.409CS..Hα-helixtrans-80.7-9.4-175.8-103.970.471.200115S54 M60 H61 R66 S69S54-M58 WeakPolarHBondContact O-CB 3.35Å; S54-M58 WeakPolarHBondContact O-CE 3.31Å; S54-M58 PolarHBondContact O-N 3.09Å; M58-M60 PolarHBondContact O-N 2.94Å; M58-H61 PolarHBondContact O-N 3.39Å; M58-R66 HydrophobicContact CG-CB 4.33Å; M58-R66 HydrophobicContact CG-CG 3.75Å; M58-S69 WeakPolarHBondContact CE-OG 3.21Å; M58-S69 VanDerWaalsContact SD-CB 3.54Å
59T84.8Confident85.6Confident99 Ų9977.8 Ų77.861%0.60739%0.391SS*.THydrogen-bonded Turntrans-63.6-32.6174.154.80000111.8K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.35Å; K55-T59 PolarHBondContact O-N 2.99Å; Q56-T59 PolarHBondContact O-OG1 3.43Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.38Å; T59-H61 VanDerWaalsContact C-N 3.33Å
60M77.5Confident85.7Confident138 Ų13880.1 Ų80.168%0.6840%0.404SS*.THydrogen-bonded Turntrans-82.3-9.4-178.3-52.2-161.887.900113.3M58 H223M58-M60 PolarHBondContact O-N 2.94Å; M60-H223 PolarHBondContact O-CE1 3.39Å; M60-H223 PolarHBondContact O-ND1 3.3Å
61H82.8Confident85.6Confident6 Ų681.1 Ų81.13%0.02841%0.408CS..  trans-108.4138.5-169.3-70.779.3000114M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 2.88Å; M58-H61 PolarHBondContact O-N 3.39Å; T59-H61 VanDerWaalsContact C-N 3.33Å; H61-R66 HydrophobicContact CB-CG 4.45Å; H61-R66 PolarHBondContact O-NE 3.29Å; H61-S219 PolarHBondContact NE2-O 3.34Å
62N80.2Confident85.6Confident109 Ų10974.1 Ų74.158%0.58338%0.378SS*.  trans-70.4169.1168.2-82.3-19.6000112.4K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.11Å; N62-K64 VanDerWaalsContact O-N 3.15Å; N62-G65 WeakPolarHBondContact O-CA 3.41Å; N62-G65 PolarHBondContact O-N 2.63Å; N62-R66 WeakPolarHBondContact O-CG 3.36Å; N62-R66 PolarHBondContact O-N 3.19Å
63T80.4Confident85.6Confident119 Ų11971.7 Ų71.773%0.7337%0.366SS*.THydrogen-bonded Turntrans-53-37.8-175.553.50000114.1R66T63-R66 PolarHBondContact O-N 3.33Å
64K79.1Confident85.8Confident122 Ų12273.6 Ų73.653%0.5338%0.38SS..THydrogen-bonded Turntrans-67.3-45.4174.5-68.6-176.2-177.9176.80112.1N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.11Å; N62-K64 VanDerWaalsContact O-N 3.15Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.38Å; K64-T67 WeakPolarHBondContact O-CB 3.44Å; K64-T67 PolarHBondContact O-N 3.48Å; K64-T67 PolarHBondContact O-OG1 3.17Å
65G78.4Confident85.9Confident0 Ų073 Ų730%038%0.375CS..G310 helixtrans-63.6-31.5176.700000113N62 T67 W68N62-G65 WeakPolarHBondContact O-CA 3.41Å; N62-G65 PolarHBondContact O-N 2.63Å; G65-T67 PolarHBondContact O-N 3.37Å; G65-T67 VanDerWaalsContact O-N 3.14Å; G65-W68 WeakPolarHBondContact O-CB 3.47Å; G65-W68 PolarHBondContact O-N 3.23Å
66R83.6Confident86Confident137 Ų13766.5 Ų66.552%0.51735%0.347SS..G310 helixtrans-61.4-21.5175.4-69.4-174.3177.1-176.3-0.6114M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact CG-CB 4.33Å; M58-R66 HydrophobicContact CG-CG 3.75Å; H61-R66 HydrophobicContact CB-CG 4.45Å; H61-R66 PolarHBondContact O-NE 3.29Å; N62-R66 WeakPolarHBondContact O-CG 3.36Å; N62-R66 PolarHBondContact O-N 3.19Å; T63-R66 PolarHBondContact O-N 3.33Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.38Å; R66-W68 PolarHBondContact O-N 3.01Å; R66-S69 WeakPolarHBondContact O-CB 3.4Å; R66-S69 PolarHBondContact O-N 3.08Å; R66-S69 VanDerWaalsContact O-N 3.13Å
67T86.8Confident86.2Confident101 Ų10162.1 Ų62.162%0.6233%0.327SS*.G310 helixtrans-64.2-26.3175.162.80000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.44Å; K64-T67 PolarHBondContact O-N 3.48Å; K64-T67 PolarHBondContact O-OG1 3.17Å; G65-T67 PolarHBondContact O-N 3.37Å; G65-T67 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.41Å
68W87.3Confident86.5Confident42 Ų4263.7 Ų63.716%0.15933%0.334CS..G310 helixtrans-84.2-0.2177-75.158.8000113.9G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.47Å; G65-W68 PolarHBondContact O-N 3.23Å; R66-W68 PolarHBondContact O-N 3.01Å; W68-L70 VanDerWaalsContact C-N 3.26Å; W68-L70 PolarHBondContact O-N 2.97Å; W68-M71 HydrophobicContact CD2-CE 3.94Å; W68-M71 HydrophobicContact CE3-CE 3.18Å; W68-M71 HydrophobicContact CH2-CE 3.62Å; W68-M71 HydrophobicContact CZ2-CE 4.31Å; W68-M71 HydrophobicContact CZ3-CE 3.01Å; W68-M71 PolarHBondContact O-N 3.37Å; W68-L72 PolarHBondContact O-N 3.27Å; W68-M115 HydrophobicContact CZ2-SD 4.04Å; W68-M115 PolarHBondContact NE1-SD 3.13Å; W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.67Å; W68-L222 HydrophobicContact CD2-CD2 4.1Å; W68-L222 HydrophobicContact CE3-CD1 3.96Å; W68-L222 HydrophobicContact CE3-CD2 4.46Å; W68-L222 HydrophobicContact CG-CD1 3.94Å; W68-L222 HydrophobicContact CG-CD2 3.64Å; W68-L222 HydrophobicContact CG-CG 4.47Å; W68-L222 HydrophobicContact CZ2-CD1 4.36Å; W68-L222 HydrophobicContact CZ3-CD1 4.4Å
69S88Confident86.8Confident36 Ų3662.8 Ų62.825%0.25233%0.329SS..Hα-helixtrans-44.2-51176.6163.20000112.7M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact CE-OG 3.21Å; M58-S69 VanDerWaalsContact SD-CB 3.54Å; R66-S69 WeakPolarHBondContact O-CB 3.4Å; R66-S69 PolarHBondContact O-N 3.08Å; R66-S69 VanDerWaalsContact O-N 3.13Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.41Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3Å; S69-L72 PolarHBondContact O-N 2.81Å; S69-V73 WeakPolarHBondContact O-CB 3.46Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.32Å; S69-V73 PolarHBondContact O-N 3.39Å
70L91.1Very high87.1Confident146 Ų14659.4 Ų59.476%0.76431%0.311SS*.Hα-helixtrans-60-42.5-176.9-168.793.1000111.3W68 S74W68-L70 VanDerWaalsContact C-N 3.26Å; W68-L70 PolarHBondContact O-N 2.97Å; L70-S74 WeakPolarHBondContact O-CB 3.23Å; L70-S74 PolarHBondContact O-N 3.15Å; L70-S74 PolarHBondContact O-OG 2.94Å
71M91.4Very high87.7Confident73 Ų7354.5 Ų54.536%0.3629%0.289SS..Hα-helixtrans-70.8-40.9-177.9-172.8146.471.900112W68 S69 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.94Å; W68-M71 HydrophobicContact CE3-CE 3.18Å; W68-M71 HydrophobicContact CH2-CE 3.62Å; W68-M71 HydrophobicContact CZ2-CE 4.31Å; W68-M71 HydrophobicContact CZ3-CE 3.01Å; W68-M71 PolarHBondContact O-N 3.37Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3Å; M71-S74 PolarHBondContact O-OG 3.18Å; M71-L75 WeakPolarHBondContact O-CB 3.46Å; M71-L75 PolarHBondContact O-N 3.35Å; M71-L108 HydrophobicContact CE-CD2 3.72Å; M71-L108 HydrophobicContact CG-CD2 3.88Å; M71-L108 HydrophobicContact SD-CD2 3.69Å
72L90.8Very high88.1Confident3 Ų354.5 Ų54.52%0.01629%0.289CS..Hα-helixtrans-65.2-41176.8-67.5173.1000111.7M57 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.36Å; W68-L72 PolarHBondContact O-N 3.27Å; S69-L72 PolarHBondContact O-N 2.81Å; L72-L75 PolarHBondContact O-N 2.97Å; L72-I76 PolarHBondContact O-N 3.15Å; L72-I76 VanDerWaalsContact O-N 3.07Å; L72-V218 HydrophobicContact CD2-CB 4.28Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å
73V91.7Very high88.6Confident17 Ų1749.4 Ų49.410%0.10326%0.262CS..Hα-helixtrans-69.6-41.8178.8172.60000111.4I50 S69 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.8Å; S69-V73 WeakPolarHBondContact O-CB 3.46Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.32Å; S69-V73 PolarHBondContact O-N 3.39Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.5Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.31Å; V73-I77 HydrophobicContact CG1-CD1 3.81Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.26Å; V73-I77 WeakPolarHBondContact O-CG1 3.4Å; V73-I77 PolarHBondContact O-N 3.13Å
74S91.6Very high89.1Confident65 Ų6548.5 Ų48.546%0.45525%0.253SS..Hα-helixtrans-65.5-39176.4650000111.6L70 M71 I77 F78L70-S74 WeakPolarHBondContact O-CB 3.23Å; L70-S74 PolarHBondContact O-N 3.15Å; L70-S74 PolarHBondContact O-OG 2.94Å; M71-S74 PolarHBondContact O-OG 3.18Å; S74-I77 PolarHBondContact O-N 3.35Å; S74-F78 VanDerWaalsContact O-CB 3.29Å; S74-F78 WeakPolarHBondContact O-CB 3.2Å; S74-F78 PolarHBondContact O-N 3.4Å
75L91.1Very high89.6Confident15 Ų1544.7 Ų44.78%0.07924%0.238CC..Hα-helixtrans-61.6-49.5177.9-175.276.1000112.5M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.46Å; M71-L75 PolarHBondContact O-N 3.35Å; L72-L75 PolarHBondContact O-N 2.97Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.5Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.22Å; L75-F78 PolarHBondContact O-N 3.12Å; L75-I79 HydrophobicContact CD1-CD1 3.98Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.5Å; L75-I79 PolarHBondContact O-N 3.07Å; L75-L108 HydrophobicContact CD1-CD1 3.47Å; L75-L108 VanDerWaalsContact CD1-CD1 3.47Å; L75-L108 HydrophobicContact CD2-CD1 3.75Å; L75-L108 HydrophobicContact CG-CD1 4.25Å; L75-F214 HydrophobicContact CD1-CE1 4.02Å; L75-F214 HydrophobicContact CD2-CD1 3.86Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.26Å; L75-F214 HydrophobicContact CG-CE1 4.17Å; L75-T215 HydrophobicContact CB-CG2 4.1Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.74Å
76I91.6Very high89.9Confident16 Ų1644.8 Ų44.88%0.08224%0.238CC..Hα-helixtrans-63.6-40.9-178.9-169.1169.2000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 3.65Å; L72-I76 PolarHBondContact O-N 3.15Å; L72-I76 VanDerWaalsContact O-N 3.07Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.31Å; I76-A80 WeakPolarHBondContact O-CB 3.41Å; I76-A80 PolarHBondContact O-N 3.12Å; I76-A211 HydrophobicContact CG1-CB 4.48Å; I76-Y212 HydrophobicContact CD1-CD2 4.12Å; 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 4.12Å
77I91.6Very high90.1Very high28 Ų2840 Ų4014%0.14422%0.223CC..Hα-helixtrans-66.4-43.1178.8-62.7164.8000110.2I31 I50 V73 S74 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.42Å; I31-I77 VanDerWaalsContact CD1-CG2 3.42Å; I31-I77 HydrophobicContact CG1-CG2 4.44Å; I50-I77 HydrophobicContact CD1-CD1 3.87Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CD1 3.81Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.26Å; V73-I77 WeakPolarHBondContact O-CG1 3.4Å; V73-I77 PolarHBondContact O-N 3.13Å; S74-I77 PolarHBondContact O-N 3.35Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.22Å; I77-T81 HydrophobicContact CG2-CG2 4.22Å; I77-T81 WeakPolarHBondContact O-CB 3.45Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.08Å; I77-T81 PolarHBondContact O-N 2.83Å; I77-T81 PolarHBondContact O-OG1 3.32Å
78F91.3Very high90.2Very high46 Ų4639.7 Ų39.720%0.20222%0.217CC..Hα-helixtrans-62.4-48.9179.1179.9-101.8000112.3I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.31Å; S74-F78 VanDerWaalsContact O-CB 3.29Å; S74-F78 WeakPolarHBondContact O-CB 3.2Å; S74-F78 PolarHBondContact O-N 3.4Å; L75-F78 PolarHBondContact O-N 3.12Å; F78-T81 PolarHBondContact O-OG1 2.93Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; F78-T82 HydrophobicContact CD2-CG2 4.32Å; F78-T82 HydrophobicContact CE1-CG2 4.18Å; F78-T82 HydrophobicContact CE2-CG2 3.93Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.38Å; F78-T82 VanDerWaalsContact O-CG2 3.32Å; F78-T82 WeakPolarHBondContact O-CG2 3Å; F78-T82 PolarHBondContact O-N 3.3Å; F78-T82 PolarHBondContact O-OG1 3.18Å; F78-M100 HydrophobicContact CE1-CE 3.84Å; F78-M100 HydrophobicContact CZ-CE 3.78Å; F78-M104 HydrophobicContact CD1-SD 3.84Å; F78-M104 HydrophobicContact CE1-CE 4.12Å; F78-M104 HydrophobicContact CE1-SD 3.55Å; F78-M104 VanDerWaalsContact CE1-SD 3.55Å
79I91.3Very high90Very high0 Ų042.9 Ų42.90%024%0.243CC..Hα-helixtrans-68.1-42.3-179.5-59.8169.4000110.6L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 3.98Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.5Å; L75-I79 PolarHBondContact O-N 3.07Å; I79-T81 PolarHBondContact O-N 2.93Å; I79-T82 WeakPolarHBondContact CA-OG1 3.48Å; I79-T82 PolarHBondContact O-OG1 3.09Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.34Å; I79-N83 WeakPolarHBondContact O-CB 3.4Å; I79-N83 PolarHBondContact O-N 2.9Å; I79-N83 PolarHBondContact O-ND2 2.93Å; I79-N83 PolarHBondContact O-OD1 3.34Å; I79-L160 HydrophobicContact CG2-CD1 4.01Å; I79-L160 HydrophobicContact CG2-CD2 4.14Å; I79-A211 HydrophobicContact CB-CB 4.01Å; I79-A211 HydrophobicContact CG2-CB 3.75Å; I79-F214 HydrophobicContact CD1-CB 4.22Å; I79-F214 HydrophobicContact CD1-CD1 3.32Å; I79-F214 HydrophobicContact CD1-CD2 4.33Å; I79-F214 HydrophobicContact CD1-CE1 3.68Å; I79-F214 HydrophobicContact CD1-CG 3.71Å; I79-F214 HydrophobicContact CD1-CZ 4.32Å
80A90.8Very high89.7Confident28 Ų2852.8 Ų52.823%0.23128%0.277CS..Hα-helixtrans-63.3-43.9179.100000112I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.41Å; I76-A80 PolarHBondContact O-N 3.12Å; A80-L84 VanDerWaalsContact O-CB 3.24Å; A80-L84 WeakPolarHBondContact O-CB 3.3Å; A80-L84 PolarHBondContact O-N 3.46Å; A80-A211 HydrophobicContact CB-CB 3.92Å
81T91.1Very high89.4Confident36 Ų3647.4 Ų47.422%0.22125%0.251CS..Hα-helixtrans-69.6-44.118051.30000112.1P27 I77 F78 I79 N83 L84 L85P27-T81 VanDerWaalsContact CB-OG1 3.31Å; P27-T81 WeakPolarHBondContact CB-OG1 3.46Å; I77-T81 HydrophobicContact CG2-CG2 4.22Å; I77-T81 WeakPolarHBondContact O-CB 3.45Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.08Å; I77-T81 PolarHBondContact O-N 2.83Å; I77-T81 PolarHBondContact O-OG1 3.32Å; F78-T81 PolarHBondContact O-OG1 2.93Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; I79-T81 PolarHBondContact O-N 2.93Å; T81-N83 PolarHBondContact O-N 2.95Å; T81-L84 PolarHBondContact O-N 3.04Å; T81-L85 VanDerWaalsContact O-CB 3.28Å; T81-L85 WeakPolarHBondContact O-CB 3.27Å; T81-L85 PolarHBondContact O-N 3.46Å
82T90.9Very high89.1Confident5 Ų545.2 Ų45.23%0.03124%0.24CC..Hα-helixtrans-61.7-43.3176.647.60000112.6P27 F78 I79 G86 P94P27-T82 HydrophobicContact CB-CG2 4.17Å; P27-T82 HydrophobicContact CG-CG2 3.36Å; F78-T82 HydrophobicContact CD2-CG2 4.32Å; F78-T82 HydrophobicContact CE1-CG2 4.18Å; F78-T82 HydrophobicContact CE2-CG2 3.93Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.38Å; F78-T82 VanDerWaalsContact O-CG2 3.32Å; F78-T82 WeakPolarHBondContact O-CG2 3Å; F78-T82 PolarHBondContact O-N 3.3Å; F78-T82 PolarHBondContact O-OG1 3.18Å; I79-T82 WeakPolarHBondContact CA-OG1 3.48Å; I79-T82 PolarHBondContact O-OG1 3.09Å; T82-G86 PolarHBondContact O-N 2.96Å; T82-P94 HydrophobicContact CG2-CG 4.48Å
83N91.1Very high88.8Confident2 Ų245.2 Ų45.21%0.01124%0.24CC..Hα-helixtrans-67.6-43.2178.8-66.9-11.4000111.9I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.34Å; I79-N83 WeakPolarHBondContact O-CB 3.4Å; I79-N83 PolarHBondContact O-N 2.9Å; I79-N83 PolarHBondContact O-ND2 2.93Å; I79-N83 PolarHBondContact O-OD1 3.34Å; T81-N83 PolarHBondContact O-N 2.95Å; N83-G86 WeakPolarHBondContact O-CA 3.42Å; N83-G86 PolarHBondContact O-N 3.28Å; N83-G86 VanDerWaalsContact O-N 3.15Å; N83-L87 PolarHBondContact O-N 3.31Å; N83-T95 WeakPolarHBondContact OD1-CB 3.45Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.35Å; N83-T95 PolarHBondContact OD1-OG1 3.34Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.23Å; N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.28Å; N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 3.25Å
84L89.9Confident88.4Confident101 Ų10144.8 Ų44.853%0.52924%0.237SC..Hα-helixtrans-70-39.3-178.2-167143.3000111.8A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.24Å; A80-L84 WeakPolarHBondContact O-CB 3.3Å; A80-L84 PolarHBondContact O-N 3.46Å; T81-L84 PolarHBondContact O-N 3.04Å; L84-G86 PolarHBondContact O-N 2.78Å; L84-L87 PolarHBondContact O-N 3.32Å
85L89.9Confident88.1Confident41 Ų4141.7 Ų41.722%0.21522%0.216CC..Hα-helixtrans-61.2-32.5171.8-148.995.5000111.6L26 L30 T81 L87 L88 S91L26-L85 HydrophobicContact CD1-CD2 4.49Å; L26-L85 HydrophobicContact CD2-CD1 4.02Å; L26-L85 HydrophobicContact CD2-CD2 3.62Å; L26-L85 HydrophobicContact CD2-CG 4.48Å; L30-L85 HydrophobicContact CD1-CD1 3.33Å; T81-L85 VanDerWaalsContact O-CB 3.28Å; T81-L85 WeakPolarHBondContact O-CB 3.27Å; T81-L85 PolarHBondContact O-N 3.46Å; L85-L87 VanDerWaalsContact C-N 3.3Å; L85-L87 PolarHBondContact O-N 3.1Å; L85-L88 HydrophobicContact CD1-CD1 4.48Å; L85-L88 HydrophobicContact CG-CD1 4.12Å; L85-L88 VanDerWaalsContact O-CB 3.28Å; L85-L88 WeakPolarHBondContact O-CB 3.42Å; L85-L88 VanDerWaalsContact O-CG 3.27Å; L85-L88 WeakPolarHBondContact O-CG 3.37Å; L85-L88 PolarHBondContact O-N 3.36Å; L85-S91 PolarHBondContact O-OG 3.34Å; L85-S91 VanDerWaalsContact O-OG 3.08Å
86G86Confident87.9Confident2 Ų241.5 Ų41.52%0.02122%0.215CC..Hα-helixtrans-61.7-30.3177.800000116.8T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 2.96Å; N83-G86 WeakPolarHBondContact O-CA 3.42Å; N83-G86 PolarHBondContact O-N 3.28Å; N83-G86 VanDerWaalsContact O-N 3.15Å; L84-G86 PolarHBondContact O-N 2.78Å; G86-L88 PolarHBondContact O-N 3.41Å; G86-S91 VanDerWaalsContact C-OG 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.39Å; G86-S91 PolarHBondContact O-OG 3.02Å; G86-H168 PolarHBondContact O-CE1 3.33Å; G86-H168 PolarHBondContact O-NE2 3.38Å; G86-H168 VanDerWaalsContact O-NE2 3.12Å
87L87.2Confident87.8Confident37 Ų3743.9 Ų43.919%0.19423%0.226CC..THydrogen-bonded Turntrans-76.4-5.8179.3-62174.6000112.5N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.31Å; L84-L87 PolarHBondContact O-N 3.32Å; L85-L87 VanDerWaalsContact C-N 3.3Å; L85-L87 PolarHBondContact O-N 3.1Å; L87-M171 HydrophobicContact CD2-CE 3.95Å; L87-E203 HydrophobicContact CD1-CG 4.4Å; L87-E203 HydrophobicContact CD2-CB 4.19Å; L87-E203 HydrophobicContact CD2-CG 3.39Å; L87-I204 HydrophobicContact CD1-CB 4.23Å; L87-I204 HydrophobicContact CD1-CG1 3.64Å; L87-A207 HydrophobicContact CD1-CB 4.07Å
88L87.9Confident87.6Confident95 Ų9545.7 Ų45.750%0.49724%0.236SC..SBendtrans-66.5143.6174.5-65175.9000110.7L85 G86 Y90 S91L85-L88 HydrophobicContact CD1-CD1 4.48Å; L85-L88 HydrophobicContact CG-CD1 4.12Å; L85-L88 VanDerWaalsContact O-CB 3.28Å; L85-L88 WeakPolarHBondContact O-CB 3.42Å; L85-L88 VanDerWaalsContact O-CG 3.27Å; L85-L88 WeakPolarHBondContact O-CG 3.37Å; L85-L88 PolarHBondContact O-N 3.36Å; G86-L88 PolarHBondContact O-N 3.41Å; L88-Y90 PolarHBondContact O-N 3.18Å; L88-S91 WeakPolarHBondContact O-CB 3.27Å; L88-S91 PolarHBondContact O-N 3.01Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.21Å
89P83.1Confident87.5Confident108 Ų10847.6 Ų47.670%0.70126%0.255SS*.THydrogen-bonded Turntrans-59.3135-179.325.6-34.4000110.6S91P89-S91 PolarHBondContact O-N 2.93Å; P89-S91 VanDerWaalsContact O-N 3.13Å
90Y83Confident87.3Confident245 Ų24549.4 Ų49.496%0.96126%0.264SS*.THydrogen-bonded Turntrans59.614.8-179.1-53.3-74.5000115.8L88L88-Y90 PolarHBondContact O-N 3.18Å
91S85.2Confident87.2Confident33 Ų3348.1 Ų48.123%0.23125%0.253CS..  trans-82.3142.4173.273.30000111.2L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.34Å; L85-S91 VanDerWaalsContact O-OG 3.08Å; G86-S91 VanDerWaalsContact C-OG 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.39Å; G86-S91 PolarHBondContact O-OG 3.02Å; L88-S91 WeakPolarHBondContact O-CB 3.27Å; L88-S91 PolarHBondContact O-N 3.01Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.21Å; P89-S91 PolarHBondContact O-N 2.93Å; P89-S91 VanDerWaalsContact O-N 3.13Å
92F83.1Confident87Confident26 Ų2648.6 Ų48.611%0.11425%0.254CS..  trans-89.7123.6172.1171-94.4000109.4S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.41Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.14Å; P12-F92 HydrophobicContact CG-CG 4.11Å; A20-F92 HydrophobicContact CB-CE1 4.36Å; I23-F92 HydrophobicContact CD1-CB 4Å; I23-F92 HydrophobicContact CD1-CD1 3.86Å; I23-F92 HydrophobicContact CD1-CG 4.32Å; F92-P94 HydrophobicContact CE1-CB 4.39Å; F92-P94 WeakPolarHBondContact O-CD 3.41Å; F92-Q97 HydrophobicContact CZ-CG 4.14Å
93T84.9Confident87Confident3 Ų351.4 Ų51.42%0.01828%0.278CS..  trans-91.9110.7177.927.70000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.48Å; T93-T96 PolarHBondContact O-N 2.88Å; T93-T96 PolarHBondContact O-OG1 3.26Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.45Å; T93-I164 HydrophobicContact CG2-CG2 4.26Å
94P83.6Confident86.7Confident8 Ų852.6 Ų52.65%0.05228%0.283CS..G310 helixtrans-64-23.7177.526.1-33.7000112.7I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.3Å; I24-P94 HydrophobicContact CG1-CB 3.74Å; I24-P94 HydrophobicContact CG1-CG 4.09Å; T82-P94 HydrophobicContact CG2-CG 4.48Å; F92-P94 HydrophobicContact CE1-CB 4.39Å; F92-P94 WeakPolarHBondContact O-CD 3.41Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.41Å; P94-Q97 PolarHBondContact O-N 3.48Å; P94-M100 WeakPolarHBondContact O-CB 3.09Å
95T85.8Confident86.6Confident1 Ų147.9 Ų47.91%0.00626%0.259CS..G310 helixtrans-76-7.2179.2510000114.4N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.45Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.35Å; N83-T95 PolarHBondContact OD1-OG1 3.34Å; T93-T95 PolarHBondContact O-N 3.48Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 2.87Å; T95-N101 PolarHBondContact O-OD1 3.12Å; T95-L160 HydrophobicContact CG2-CD2 4.47Å; T95-I164 VanDerWaalsContact OG1-CD1 3.29Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.28Å
96T86.2Confident86.6Confident10 Ų1049.8 Ų49.86%0.06127%0.269CS..G310 helixtrans-74-27.2169.356.90000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; T93-T96 PolarHBondContact O-N 2.88Å; T93-T96 PolarHBondContact O-OG1 3.26Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.45Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.41Å; T96-L98 PolarHBondContact O-N 3.46Å; T96-T161 WeakPolarHBondContact O-CG2 3.32Å; T96-I164 HydrophobicContact CG2-CB 4.36Å; T96-I164 HydrophobicContact CG2-CG2 3.64Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å
97Q89.4Confident86.8Confident66 Ų6653.5 Ų53.531%0.30829%0.293SS..SBendtrans-78.2120.1178.6-66.2-63.6-29.700109.8F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.04Å; F92-Q97 HydrophobicContact CZ-CG 4.14Å; P94-Q97 PolarHBondContact O-N 3.48Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.31Å; Q97-M100 PolarHBondContact O-N 3.14Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; Q97-N101 PolarHBondContact O-N 2.83Å
98L87.6Confident86.8Confident67 Ų6752.6 Ų52.635%0.35129%0.288SS..Hα-helixtrans-58-33179.2-177.163.8000112.3T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.46Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.5Å; L98-N101 PolarHBondContact O-N 3.13Å; L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.4Å; L98-L102 PolarHBondContact O-N 3.42Å; L98-M154 HydrophobicContact CD1-CE 4.45Å; L98-M154 HydrophobicContact CD2-CE 4Å; L98-A157 HydrophobicContact CD1-CB 4.37Å; L98-V158 HydrophobicContact CD1-CG2 3.89Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4Å
99S88.4Confident86.8Confident85 Ų8549.8 Ų49.859%0.59427%0.271SS*.Hα-helixtrans-56.5-43.6176.255.30000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.31Å; S99-A103 WeakPolarHBondContact O-CB 3.31Å; S99-A103 PolarHBondContact O-N 3.06Å
100M88.1Confident86.9Confident39 Ų3945.9 Ų45.919%0.19225%0.247CC..Hα-helixtrans-68.4-45.5-178.4-175.253.5-173.100111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.48Å; I24-M100 HydrophobicContact CG2-CE 4.27Å; F78-M100 HydrophobicContact CE1-CE 3.84Å; F78-M100 HydrophobicContact CZ-CE 3.78Å; P94-M100 WeakPolarHBondContact O-CB 3.09Å; Q97-M100 PolarHBondContact O-N 3.14Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.5Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 3.32Å; M100-A103 PolarHBondContact O-N 3.28Å; M100-M104 HydrophobicContact CE-CE 3.72Å; M100-M104 HydrophobicContact CE-SD 4.15Å; M100-M104 HydrophobicContact CG-CE 3.68Å; M100-M104 WeakPolarHBondContact O-CE 3.41Å; M100-M104 PolarHBondContact O-N 2.94Å; M100-M104 VanDerWaalsContact O-N 3.11Å; M100-M104 HydrophobicContact SD-CE 4.19Å
101N88.8Confident87.1Confident0 Ų035.3 Ų35.30%021%0.212CC..Hα-helixtrans-67.9-37.7-179.9-65.6-7.5000111.8T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 2.87Å; T95-N101 PolarHBondContact O-OD1 3.12Å; Q97-N101 PolarHBondContact O-N 2.83Å; L98-N101 PolarHBondContact O-N 3.13Å; N101-M104 PolarHBondContact O-N 3.48Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.15Å; N101-A105 PolarHBondContact O-N 3.48Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.37Å; N101-L160 HydrophobicContact CB-CD2 4.32Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 3.02Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.36Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.5Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.42Å; N101-T161 HydrophobicContact CB-CG2 4.31Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.17Å; N101-T161 PolarHBondContact ND2-N 3.36Å
102L87.1Confident87Confident46 Ų4633.8 Ų33.824%0.24120%0.202CC..Hα-helixtrans-69.9-38.8177.3-163.666.2000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.4Å; L98-L102 PolarHBondContact O-N 3.42Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 3.32Å; L102-M104 PolarHBondContact O-N 3.39Å; L102-A105 PolarHBondContact O-N 3.22Å; L102-I106 HydrophobicContact CD1-CD1 3.71Å; L102-I106 HydrophobicContact CD1-CG1 3.79Å; L102-I106 HydrophobicContact CD2-CD1 3.96Å; L102-I106 HydrophobicContact CG-CD1 3.48Å; L102-I106 VanDerWaalsContact CG-CD1 3.48Å; L102-I106 HydrophobicContact CG-CG1 3.93Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 2.71Å; L102-M154 HydrophobicContact CD1-SD 3.43Å; L102-M154 WeakPolarHBondContact CD1-SD 3.39Å; L102-M154 HydrophobicContact CD2-SD 4.22Å; L102-M154 HydrophobicContact CG-SD 4.47Å; L102-A157 HydrophobicContact CB-CB 4.47Å; L102-A157 HydrophobicContact CD1-CB 4.12Å
103A89.5Confident87.1Confident65 Ų6533.2 Ų33.254%0.53720%0.201SC..Hα-helixtrans-62.7-28.6173.500000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.31Å; S99-A103 PolarHBondContact O-N 3.06Å; M100-A103 PolarHBondContact O-N 3.28Å; A103-P107 WeakPolarHBondContact O-CD 3.36Å; A103-P107 WeakPolarHBondContact O-CG 3.44Å
104M86.6Confident87.1Confident26 Ų2637.8 Ų37.813%0.12822%0.224CC..Hα-helixtrans-80.7-45.1171.1-73.7-176.7-86.500112.5F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.84Å; F78-M104 HydrophobicContact CE1-CE 4.12Å; F78-M104 HydrophobicContact CE1-SD 3.55Å; F78-M104 VanDerWaalsContact CE1-SD 3.55Å; M100-M104 HydrophobicContact CE-CE 3.72Å; M100-M104 HydrophobicContact CE-SD 4.15Å; M100-M104 HydrophobicContact CG-CE 3.68Å; M100-M104 WeakPolarHBondContact O-CE 3.41Å; M100-M104 PolarHBondContact O-N 2.94Å; M100-M104 VanDerWaalsContact O-N 3.11Å; M100-M104 HydrophobicContact SD-CE 4.19Å; N101-M104 PolarHBondContact O-N 3.48Å; L102-M104 PolarHBondContact O-N 3.39Å; M104-L108 VanDerWaalsContact O-CD1 3.26Å; M104-L108 WeakPolarHBondContact O-CD1 3.33Å; M104-L108 VanDerWaalsContact O-CG 3.32Å; M104-L108 WeakPolarHBondContact O-CG 3.42Å
105A87.4Confident87Confident2 Ų239.6 Ų39.62%0.01723%0.232CC..Hα-helixtrans-71-45.3-171.900000113.4N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.15Å; N101-A105 PolarHBondContact O-N 3.48Å; L102-A105 PolarHBondContact O-N 3.22Å; A105-L108 PolarHBondContact O-N 3.49Å; A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.33Å; A105-W109 PolarHBondContact O-N 2.91Å; A105-L156 HydrophobicContact CB-CD2 4.4Å; A105-A157 HydrophobicContact CB-CB 4.22Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.13Å
106I88.9Confident86.6Confident82 Ų8239.6 Ų39.642%0.42123%0.233SC..Hα-helixtrans-62.1-50.2-175.2-65.7177.7000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.71Å; L102-I106 HydrophobicContact CD1-CG1 3.79Å; L102-I106 HydrophobicContact CD2-CD1 3.96Å; L102-I106 HydrophobicContact CG-CD1 3.48Å; L102-I106 VanDerWaalsContact CG-CD1 3.48Å; L102-I106 HydrophobicContact CG-CG1 3.93Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 2.71Å; I106-L108 PolarHBondContact O-N 2.91Å; I106-W109 PolarHBondContact O-N 3.38Å; I106-A110 WeakPolarHBondContact O-CB 3.46Å; I106-A110 PolarHBondContact O-N 3.13Å
107P90.1Very high86.3Confident80 Ų8043 Ų4352%0.51925%0.246SC..Hα-helixtrans-65.1-37.6-178.3-24.236.9000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.36Å; A103-P107 WeakPolarHBondContact O-CG 3.44Å; P107-G111 PolarHBondContact O-N 3.41Å
108L88.4Confident85.8Confident17 Ų1750 Ų509%0.08927%0.27CS..Hα-helixtrans-65.9-46.6178.2-72.3169.1000111.5M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.72Å; M71-L108 HydrophobicContact CG-CD2 3.88Å; M71-L108 HydrophobicContact SD-CD2 3.69Å; L75-L108 HydrophobicContact CD1-CD1 3.47Å; L75-L108 VanDerWaalsContact CD1-CD1 3.47Å; L75-L108 HydrophobicContact CD2-CD1 3.75Å; L75-L108 HydrophobicContact CG-CD1 4.25Å; M104-L108 VanDerWaalsContact O-CD1 3.26Å; M104-L108 WeakPolarHBondContact O-CD1 3.33Å; M104-L108 VanDerWaalsContact O-CG 3.32Å; M104-L108 WeakPolarHBondContact O-CG 3.42Å; A105-L108 PolarHBondContact O-N 3.49Å; I106-L108 PolarHBondContact O-N 2.91Å; L108-G111 PolarHBondContact O-N 2.93Å; L108-A112 PolarHBondContact O-N 2.96Å; L108-A112 VanDerWaalsContact O-N 3.09Å; L108-F214 HydrophobicContact CD1-CE1 4.24Å; L108-V218 HydrophobicContact CB-CG1 4.36Å
109W87Confident85Confident37 Ų3749.1 Ų49.114%0.1427%0.27CS..Hα-helixtrans-63.8-47.7176172.789.5000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.33Å; A105-W109 PolarHBondContact O-N 2.91Å; I106-W109 PolarHBondContact O-N 3.38Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.96Å; W109-A112 PolarHBondContact O-N 3.07Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.06Å; W109-V113 HydrophobicContact CG-CG2 4.49Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.88Å; W109-V113 WeakPolarHBondContact O-CG2 3.31Å; W109-V113 PolarHBondContact O-N 3.22Å; W109-L149 HydrophobicContact CH2-CD2 4.09Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.85Å; W109-L149 VanDerWaalsContact CZ2-O 3.22Å; W109-L149 WeakPolarHBondContact CZ2-O 3.06Å; W109-L149 PolarHBondContact NE1-O 3.28Å; W109-L150 HydrophobicContact CH2-CD2 3.79Å; W109-L150 HydrophobicContact CZ2-CD2 4.37Å; W109-P153 HydrophobicContact CB-CB 3.86Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.24Å; W109-P153 HydrophobicContact CD2-CG 3.75Å; W109-P153 HydrophobicContact CE3-CG 4.23Å; W109-P153 HydrophobicContact CG-CB 3.81Å; W109-P153 HydrophobicContact CG-CG 3.79Å
110A86.3Confident84.2Confident26 Ų2649.4 Ų49.422%0.21526%0.26CS..Hα-helixtrans-60.4-41.3179.100000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.46Å; I106-A110 PolarHBondContact O-N 3.13Å; A110-V113 PolarHBondContact O-N 2.84Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.32Å; A110-I114 WeakPolarHBondContact O-CD1 3.29Å; A110-I114 WeakPolarHBondContact O-CG1 3.43Å; A110-I114 PolarHBondContact O-N 3.31Å
111G86.2Confident83.2Confident22 Ų2252.7 Ų52.723%0.22728%0.277CS..Hα-helixtrans-60.5-43.9175.100000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.41Å; L108-G111 PolarHBondContact O-N 2.93Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.96Å; G111-M115 WeakPolarHBondContact O-CB 3.42Å; G111-M115 PolarHBondContact O-N 3.43Å
112A84.3Confident82.2Confident2 Ų261.7 Ų61.72%0.01732%0.317CS..Hα-helixtrans-63.9-45.9176.900000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 2.96Å; L108-A112 VanDerWaalsContact O-N 3.09Å; W109-A112 PolarHBondContact O-N 3.07Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.29Å; A112-G116 PolarHBondContact O-N 3.37Å; A112-L222 HydrophobicContact CB-CD1 4.43Å
113V83.8Confident81.3Confident14 Ų1464.2 Ų64.29%0.08533%0.33CS..Hα-helixtrans-64.5-46.5178.8172.50000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.06Å; W109-V113 HydrophobicContact CG-CG2 4.49Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.88Å; W109-V113 WeakPolarHBondContact O-CG2 3.31Å; W109-V113 PolarHBondContact O-N 3.22Å; A110-V113 PolarHBondContact O-N 2.84Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.1Å; V113-G116 PolarHBondContact O-N 2.83Å; V113-G116 VanDerWaalsContact O-N 3.13Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.41Å; V113-F117 PolarHBondContact O-N 3.27Å
114I85.1Confident80.1Confident98 Ų9862 Ų6250%0.50331%0.311SS..Hα-helixtrans-60.9-39.1176.8-68.3163.7000110.6A110 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.32Å; A110-I114 WeakPolarHBondContact O-CD1 3.29Å; A110-I114 WeakPolarHBondContact O-CG1 3.43Å; A110-I114 PolarHBondContact O-N 3.31Å; I114-F117 PolarHBondContact O-N 2.92Å; I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 2.99Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.29Å; I114-R118 PolarHBondContact O-N 2.69Å
115M82.3Confident79Confident47 Ų4765.2 Ų65.223%0.23233%0.329CS..Hα-helixtrans-65.5-37.9176.2-172.1169-17900112.3W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 4.04Å; W68-M115 PolarHBondContact NE1-SD 3.13Å; G111-M115 WeakPolarHBondContact O-CB 3.42Å; G111-M115 PolarHBondContact O-N 3.43Å; A112-M115 PolarHBondContact O-N 3.29Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.1Å; M115-R118 PolarHBondContact O-N 3.18Å; M115-S119 WeakPolarHBondContact O-CB 3.28Å; M115-S119 PolarHBondContact O-N 2.77Å; M115-S119 PolarHBondContact O-OG 3.39Å; M115-S119 VanDerWaalsContact O-OG 3.05Å; M115-L222 HydrophobicContact SD-CD1 4.28Å; M115-T226 HydrophobicContact CE-CG2 4.42Å
116G78.1Confident77.9Confident1 Ų167.7 Ų67.71%0.0135%0.349CS..Hα-helixtrans-62.1-50.3173.100000112.8A112 V113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.37Å; V113-G116 PolarHBondContact O-N 2.83Å; V113-G116 VanDerWaalsContact O-N 3.13Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.17Å; G116-S119 PolarHBondContact O-N 3.02Å; G116-S119 PolarHBondContact O-OG 3Å; G116-K120 CarbonylContact O-C 3.59Å; G116-K120 PolarHBondContact O-N 3.11Å; G116-N225 WeakPolarHBondContact CA-O 3.2Å
117F79.3Confident76.8Confident80 Ų8069.3 Ų69.335%0.35136%0.355SS..Hα-helixtrans-59.9-40.1175.3-77.8-66000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.41Å; V113-F117 PolarHBondContact O-N 3.27Å; I114-F117 PolarHBondContact O-N 2.92Å; F117-I121 WeakPolarHBondContact O-CG1 3.29Å; F117-A124 HydrophobicContact CD1-CB 4.28Å; F117-A124 HydrophobicContact CE1-CB 4.36Å; F117-L125 HydrophobicContact CD1-CD1 4.17Å; F117-L125 HydrophobicContact CE1-CD1 3.76Å; F117-F128 HydrophobicContact CZ-CE2 4.4Å
118R78.5Confident75.6Confident215 Ų21567.3 Ų67.381%0.81134%0.338SS*.Hα-helixtrans-70.3-35.4179-73.8-178.170.8-170.92.7113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 2.99Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.29Å; I114-R118 PolarHBondContact O-N 2.69Å; M115-R118 PolarHBondContact O-N 3.18Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.17Å
119S70.9Confident74.5Confident48 Ų4869.3 Ų69.334%0.33635%0.349SS..Hα-helixtrans-88.4-39.3-172.570.20000113.5M115 G116M115-S119 WeakPolarHBondContact O-CB 3.28Å; M115-S119 PolarHBondContact O-N 2.77Å; M115-S119 PolarHBondContact O-OG 3.39Å; M115-S119 VanDerWaalsContact O-OG 3.05Å; G116-S119 PolarHBondContact O-N 3.02Å; G116-S119 PolarHBondContact O-OG 3Å
120K72.2Confident73.4Confident90 Ų9070.9 Ų70.939%0.39136%0.364SS..  trans-146.170.7-176.3-67.2175.2-178.8159.70111.4G116 K122 N123 A124 T226G116-K120 CarbonylContact O-C 3.59Å; G116-K120 PolarHBondContact O-N 3.11Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.5Å; K120-K122 VanDerWaalsContact O-N 3.17Å; K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.29Å; K120-N123 PolarHBondContact O-N 3.09Å; K120-N123 VanDerWaalsContact O-N 3.11Å; K120-A124 WeakPolarHBondContact O-CB 3.35Å; K120-A124 PolarHBondContact O-N 2.91Å; K120-T226 WeakPolarHBondContact CE-O 3.19Å; K120-T226 PolarHBondContact NZ-O 3.45Å; K120-T226 PolarHBondContact NZ-OXT 3.29Å
121I67Low72.4Confident108 Ų10879.2 Ų79.255%0.55440%0.398SS*.Hα-helixtrans-47.2-48.7177.4-59.9170000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.29Å; I121-N123 PolarHBondContact O-N 3.47Å; I121-L125 HydrophobicContact CG2-CD1 3.88Å; I121-L125 WeakPolarHBondContact O-CD1 3.39Å; I121-L125 PolarHBondContact O-N 3.49Å
122K66.6Low71.3Confident190 Ų19082.1 Ų82.183%0.82643%0.428SS*.Hα-helixtrans-66.3-38.2-176.2-64.4-175.4-179.2-177.40113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.5Å; K120-K122 VanDerWaalsContact O-N 3.17Å; K122-A126 VanDerWaalsContact O-CB 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.04Å; K122-A126 PolarHBondContact O-N 3.28Å
123N68.5Low70.8Confident99 Ų9983.6 Ų83.653%0.52944%0.436SS..Hα-helixtrans-78.2-36.1-178.2-149.361.9000111.2K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.29Å; K120-N123 PolarHBondContact O-N 3.09Å; K120-N123 VanDerWaalsContact O-N 3.11Å; I121-N123 PolarHBondContact O-N 3.47Å; N123-A126 PolarHBondContact O-N 3.32Å; N123-H127 PolarHBondContact O-N 3.32Å; N123-H127 VanDerWaalsContact O-N 3.11Å
124A64.5Low70.4Confident17 Ų1786.4 Ų86.414%0.1446%0.455CS..Hα-helixtrans-62.9-42.8173.100000111.6F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.28Å; F117-A124 HydrophobicContact CE1-CB 4.36Å; K120-A124 WeakPolarHBondContact O-CB 3.35Å; K120-A124 PolarHBondContact O-N 2.91Å; A124-H127 PolarHBondContact O-N 3.28Å
125L64.8Low70Confident95 Ų9587.4 Ų87.450%0.49747%0.466SS..Hα-helixtrans-70.5-32.9174.9-8980.1000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.17Å; F117-L125 HydrophobicContact CE1-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CD1 3.88Å; I121-L125 WeakPolarHBondContact O-CD1 3.39Å; I121-L125 PolarHBondContact O-N 3.49Å; L125-H127 VanDerWaalsContact C-N 3.27Å; L125-H127 PolarHBondContact O-N 3.35Å; L125-F128 WeakPolarHBondContact O-CB 3.48Å; L125-F128 PolarHBondContact O-N 3Å
126A62.7Low70.1Confident54 Ų5490 Ų9045%0.44649%0.486SS..Hα-helixtrans-67.1-27.6176.400000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.04Å; K122-A126 PolarHBondContact O-N 3.28Å; N123-A126 PolarHBondContact O-N 3.32Å; A126-F128 PolarHBondContact O-N 2.87Å; A126-L129 PolarHBondContact O-N 3.49Å
127H66.4Low70.2Confident115 Ų11595 Ų9553%0.53251%0.512SS..THydrogen-bonded Turntrans-66.5-19.8176.2-155.9-61.8000113N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.32Å; N123-H127 VanDerWaalsContact O-N 3.11Å; A124-H127 PolarHBondContact O-N 3.28Å; L125-H127 VanDerWaalsContact C-N 3.27Å; L125-H127 PolarHBondContact O-N 3.35Å; H127-L129 PolarHBondContact O-N 3.35Å
128F64.3Low70.3Confident39 Ų3993.6 Ų93.617%0.17151%0.508CS..THydrogen-bonded Turntrans-70-12.2172.5-68.2-57.9000113.5F117 L125 A126 L141 E145 T146F117-F128 HydrophobicContact CZ-CE2 4.4Å; L125-F128 WeakPolarHBondContact O-CB 3.48Å; L125-F128 PolarHBondContact O-N 3Å; A126-F128 PolarHBondContact O-N 2.87Å; F128-L141 WeakPolarHBondContact O-CD2 3.5Å; F128-E145 HydrophobicContact CD1-CB 4.24Å; F128-E145 HydrophobicContact CD1-CG 3.86Å; F128-T146 HydrophobicContact CD1-CG2 4.12Å; F128-T146 HydrophobicContact CE1-CG2 3.9Å; F128-T146 HydrophobicContact CZ-CG2 4.4Å
129L66.2Low70.3Confident59 Ų5987.4 Ų87.431%0.30950%0.496SS..SBendtrans-132.3108.6-178.3-140.478000111.7A126 H127 I138 L141 V142A126-L129 PolarHBondContact O-N 3.49Å; H127-L129 PolarHBondContact O-N 3.35Å; L129-I138 HydrophobicContact CD1-CB 4.44Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.2Å; L129-I138 HydrophobicContact CD2-CG1 4.24Å; L129-I138 HydrophobicContact CD2-CG2 4.09Å; L129-L141 HydrophobicContact CD1-CD2 4.31Å; L129-V142 HydrophobicContact CD1-CG2 3.51Å
130P63.4Low71Confident70 Ų7090.6 Ų90.646%0.45551%0.507SS..  trans-63.4140.7172.420.7-22.9000110G132 T133 L141P130-G132 PolarHBondContact O-N 3.43Å; P130-T133 HydrophobicContact CB-CG2 4.48Å; P130-T133 HydrophobicContact CG-CG2 3.71Å; P130-T133 WeakPolarHBondContact O-CG2 3.37Å; P130-L141 HydrophobicContact CG-CD1 3.92Å; P130-L141 HydrophobicContact CG-CD2 4.07Å
131Q64.5Low71.6Confident201 Ų20188.6 Ų88.694%0.93950%0.5SS*.THydrogen-bonded Turntrans-65.5130-177.7-63.5-170.8-1.200110.4
132G64.6Low72.3Confident82 Ų8285.8 Ų85.885%0.84549%0.488SS*.THydrogen-bonded Turntrans9712176.100000116P130P130-G132 PolarHBondContact O-N 3.43Å
133T73.4Confident73.2Confident33 Ų3381 Ų8120%0.20247%0.471CS..  trans-71.1134.7175.354.10000112.2P130 L141P130-T133 HydrophobicContact CB-CG2 4.48Å; P130-T133 HydrophobicContact CG-CG2 3.71Å; P130-T133 WeakPolarHBondContact O-CG2 3.37Å; T133-L141 HydrophobicContact CG2-CD1 3.9Å
134P75.4Confident74.1Confident74 Ų7480.8 Ų80.848%0.48147%0.468SS..  trans-65.8140.217729-35.1000111P136 L137P134-P136 WeakPolarHBondContact O-CD 3.33Å; P134-P136 VanDerWaalsContact O-N 3.13Å; P134-L137 HydrophobicContact CG-CB 4.4Å; P134-L137 HydrophobicContact CG-CD1 3.73Å; P134-L137 HydrophobicContact CG-CG 4.19Å; P134-L137 PolarHBondContact O-N 3.02Å
135T76.8Confident75Confident118 Ų11882.9 Ų82.972%0.72448%0.475SS*.G310 helixtrans-49.7-36-171.548.10000116.9I138T135-I138 HydrophobicContact CG2-CD1 4.46Å
136P83.2Confident75.8Confident102 Ų10280.9 Ų80.966%0.66247%0.467SS*.G310 helixtrans-74.8-22.3179.226.7-34000114.6P134P134-P136 WeakPolarHBondContact O-CD 3.33Å; P134-P136 VanDerWaalsContact O-N 3.13Å
137L81.7Confident76.9Confident105 Ų10582.3 Ų82.355%0.5547%0.466SS..G310 helixtrans-87.9-11.2-177.4-65.3178.3000113.4P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.4Å; P134-L137 HydrophobicContact CG-CD1 3.73Å; P134-L137 HydrophobicContact CG-CG 4.19Å; P134-L137 PolarHBondContact O-N 3.02Å; L137-M140 PolarHBondContact O-N 2.94Å; L137-L141 PolarHBondContact O-N 2.98Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I80.1Confident77.8Confident51 Ų5179.3 Ų79.326%0.26246%0.458SS..Hα-helixtrans-54.1-49.7-176.7-67.4177.8000112.5L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CB 4.44Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.2Å; L129-I138 HydrophobicContact CD2-CG1 4.24Å; L129-I138 HydrophobicContact CD2-CG2 4.09Å; T135-I138 HydrophobicContact CG2-CD1 4.46Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.07Å; I138-L141 PolarHBondContact O-N 3.42Å; I138-V142 WeakPolarHBondContact O-CG2 3.39Å; I138-V142 PolarHBondContact O-N 2.99Å
139P80Confident78.7Confident86 Ų8679.5 Ų79.556%0.55846%0.461SS*.Hα-helixtrans-64.8-37.3-175.3-20.833.8000113I143P139-I143 WeakPolarHBondContact O-CG1 3.13Å; P139-I143 PolarHBondContact O-N 2.97Å
140M84Confident79.5Confident115 Ų11581.9 Ų81.957%0.56747%0.473SS*.Hα-helixtrans-69.6-40.9179.3-173.664-172.200111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 2.94Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.07Å; M140-I143 PolarHBondContact O-N 3.46Å; M140-I144 HydrophobicContact CE-CD1 3.97Å; M140-I144 HydrophobicContact CE-CG1 4.17Å; M140-I144 HydrophobicContact CG-CD1 4.1Å; M140-I144 WeakPolarHBondContact O-CG1 3.25Å; M140-I144 PolarHBondContact O-N 2.67Å; M140-I144 VanDerWaalsContact O-N 3.11Å
141L85Confident80.6Confident47 Ų4783.2 Ų83.225%0.24648%0.475CS..Hα-helixtrans-66-40.7-178.3-169.4148.3000112F128 L129 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.5Å; L129-L141 HydrophobicContact CD1-CD2 4.31Å; P130-L141 HydrophobicContact CG-CD1 3.92Å; P130-L141 HydrophobicContact CG-CD2 4.07Å; T133-L141 HydrophobicContact CG2-CD1 3.9Å; L137-L141 PolarHBondContact O-N 2.98Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 3.42Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.92Å; L141-I144 PolarHBondContact O-N 2.89Å; L141-E145 PolarHBondContact O-N 3.06Å
142V82.3Confident81.5Confident50 Ų5077 Ų7730%0.30345%0.446SS..Hα-helixtrans-60.7-40.4176.1175.10000111.2L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.51Å; I138-V142 WeakPolarHBondContact O-CG2 3.39Å; I138-V142 PolarHBondContact O-N 2.99Å; V142-E145 PolarHBondContact O-N 3.46Å; V142-T146 HydrophobicContact CG1-CG2 4.37Å; V142-T146 WeakPolarHBondContact O-CB 3.42Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 2.89Å; V142-T146 PolarHBondContact O-N 3.43Å; V142-T146 PolarHBondContact O-OG1 3.46Å
143I85.3Confident82.2Confident90 Ų9073.6 Ų73.646%0.46241%0.409SS..Hα-helixtrans-63.4-44.8176.5-65.9167.3000110.6P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.13Å; P139-I143 PolarHBondContact O-N 2.97Å; M140-I143 PolarHBondContact O-N 3.46Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.92Å; I143-E145 PolarHBondContact O-N 3.18Å; I143-T146 WeakPolarHBondContact CA-OG1 3.39Å; I143-T146 PolarHBondContact O-N 2.91Å; I143-T146 PolarHBondContact O-OG1 3.22Å; I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.27Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 3.49Å
144I86.4Confident82.8Confident94 Ų9475.8 Ų75.848%0.48242%0.418SS..Hα-helixtrans-64.2-43.6179.5-64.4165.5000111M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.97Å; M140-I144 HydrophobicContact CE-CG1 4.17Å; M140-I144 HydrophobicContact CG-CD1 4.1Å; M140-I144 WeakPolarHBondContact O-CG1 3.25Å; M140-I144 PolarHBondContact O-N 2.67Å; M140-I144 VanDerWaalsContact O-N 3.11Å; L141-I144 PolarHBondContact O-N 2.89Å; I144-I147 PolarHBondContact O-N 3.47Å; I144-S148 WeakPolarHBondContact O-CB 3.44Å; I144-S148 PolarHBondContact O-N 2.97Å
145E84.6Confident83.3Confident61 Ų6174.2 Ų74.229%0.28541%0.411SS..Hα-helixtrans-67.2-39.7-178.8-166.660.9-15800111.8F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.24Å; F128-E145 HydrophobicContact CD1-CG 3.86Å; L141-E145 PolarHBondContact O-N 3.06Å; V142-E145 PolarHBondContact O-N 3.46Å; I143-E145 PolarHBondContact O-N 3.18Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.42Å; E145-S148 WeakPolarHBondContact O-CB 3.22Å; E145-S148 PolarHBondContact O-N 2.93Å; E145-L149 WeakPolarHBondContact O-CB 3.29Å; E145-L149 PolarHBondContact O-N 3.08Å
146T81.6Confident83.5Confident52 Ų5268.9 Ų68.932%0.31938%0.379SS..Hα-helixtrans-63.3-39174.353.90000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.12Å; F128-T146 HydrophobicContact CE1-CG2 3.9Å; F128-T146 HydrophobicContact CZ-CG2 4.4Å; V142-T146 HydrophobicContact CG1-CG2 4.37Å; V142-T146 WeakPolarHBondContact O-CB 3.42Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 2.89Å; V142-T146 PolarHBondContact O-N 3.43Å; V142-T146 PolarHBondContact O-OG1 3.46Å; I143-T146 WeakPolarHBondContact CA-OG1 3.39Å; I143-T146 PolarHBondContact O-N 2.91Å; I143-T146 PolarHBondContact O-OG1 3.22Å; T146-L150 WeakPolarHBondContact O-CG 3.36Å; T146-L150 PolarHBondContact O-N 3.23Å
147I85.9Confident83.6Confident84 Ų8464 Ų6443%0.43135%0.347SS..Hα-helixtrans-66.9-43.6174-67.9167.3000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.27Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 3.49Å; I144-I147 PolarHBondContact O-N 3.47Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.42Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.34Å; I147-L150 PolarHBondContact O-N 3.35Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.31Å; I147-I151 PolarHBondContact O-N 2.85Å
148S84.4Confident83.9Confident52 Ų5262 Ų6236%0.36434%0.339SS..Hα-helixtrans-57.2-46.5178.1-176.90000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.44Å; I144-S148 PolarHBondContact O-N 2.97Å; E145-S148 WeakPolarHBondContact O-CB 3.22Å; E145-S148 PolarHBondContact O-N 2.93Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.82Å; S148-I151 PolarHBondContact O-N 3.17Å; S148-Q152 PolarHBondContact O-N 3.18Å; S148-Q152 VanDerWaalsContact O-N 3.14Å
149L83.3Confident84.3Confident44 Ų4464.4 Ų64.423%0.2335%0.345CS..Hα-helixtrans-60-37.2177.4-172.8119.8000112.3W109 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.09Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.85Å; W109-L149 VanDerWaalsContact CZ2-O 3.22Å; W109-L149 WeakPolarHBondContact CZ2-O 3.06Å; W109-L149 PolarHBondContact NE1-O 3.28Å; E145-L149 WeakPolarHBondContact O-CB 3.29Å; E145-L149 PolarHBondContact O-N 3.08Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.34Å; L149-P153 WeakPolarHBondContact O-CD 3.12Å
150L83.1Confident84.4Confident109 Ų10960.3 Ų60.357%0.57132%0.318SS*.Hα-helixtrans-77.2-34.8177.6-71.7173.5000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.79Å; W109-L150 HydrophobicContact CZ2-CD2 4.37Å; T146-L150 WeakPolarHBondContact O-CG 3.36Å; T146-L150 PolarHBondContact O-N 3.23Å; I147-L150 PolarHBondContact O-N 3.35Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.82Å; L150-P153 WeakPolarHBondContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CG 3.16Å
151I85.9Confident84.5Confident98 Ų9855.4 Ų55.450%0.50330%0.295SS..Hα-helixtrans-72.8-30.8-179.4-69.8174000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.31Å; I147-I151 PolarHBondContact O-N 2.85Å; S148-I151 PolarHBondContact O-N 3.17Å; I151-M154 WeakPolarHBondContact O-CB 3.42Å; I151-M154 PolarHBondContact O-N 2.97Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.39Å; I151-A155 PolarHBondContact O-N 2.98Å
152Q83.8Confident84.6Confident70 Ų7055.1 Ų55.133%0.32730%0.299SS..Hα-helixtrans-50.9-53.5-177.6-107.8175.6-14.500116.3S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.18Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 3.45Å; Q152-A155 PolarHBondContact O-N 3.38Å; Q152-L156 PolarHBondContact O-N 3.37Å; Q152-Y221 HydrophobicContact CG-CE1 4.35Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.48Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.3Å; Q152-Y221 PolarHBondContact NE2-OH 3.34Å; Q152-Y221 PolarHBondContact OE1-OH 3.27Å
153P80.6Confident84.9Confident11 Ų1155.6 Ų55.67%0.07130%0.3CS..Hα-helixtrans-63.9-34.1178.623.8-34.4000112.1W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.86Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.24Å; W109-P153 HydrophobicContact CD2-CG 3.75Å; W109-P153 HydrophobicContact CE3-CG 4.23Å; W109-P153 HydrophobicContact CG-CB 3.81Å; W109-P153 HydrophobicContact CG-CG 3.79Å; L149-P153 WeakPolarHBondContact O-CD 3.12Å; L150-P153 WeakPolarHBondContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CG 3.16Å; P153-A157 PolarHBondContact O-N 3.34Å
154M85.1Confident84.9Confident78 Ų7851.6 Ų51.638%0.38428%0.279SS..Hα-helixtrans-66.8-45.6175.1-169.866.8-169.900111.1L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD1-CE 4.45Å; L98-M154 HydrophobicContact CD2-CE 4Å; L102-M154 HydrophobicContact CD1-SD 3.43Å; L102-M154 WeakPolarHBondContact CD1-SD 3.39Å; L102-M154 HydrophobicContact CD2-SD 4.22Å; L102-M154 HydrophobicContact CG-SD 4.47Å; I151-M154 WeakPolarHBondContact O-CB 3.42Å; I151-M154 PolarHBondContact O-N 2.97Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 3.45Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.4Å; M154-A157 PolarHBondContact O-N 3.26Å; M154-V158 HydrophobicContact CE-CG2 3.97Å; M154-V158 HydrophobicContact CG-CG2 4.45Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.48Å; M154-V158 PolarHBondContact O-N 3.04Å
155A85.9Confident85Confident41 Ų4148.8 Ų48.834%0.33927%0.267SS..Hα-helixtrans-61.8-37.6178.600000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.39Å; I151-A155 PolarHBondContact O-N 2.98Å; Q152-A155 PolarHBondContact O-N 3.38Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.45Å; A155-R159 PolarHBondContact O-N 3.49Å
156L81.7Confident85.1Confident7 Ų748.5 Ų48.54%0.03728%0.275CS..Hα-helixtrans-61.8-48.4174.8-165.685.7000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.4Å; Q152-L156 PolarHBondContact O-N 3.37Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.4Å; L156-R159 PolarHBondContact O-N 3.41Å; L156-L160 PolarHBondContact O-N 3.3Å; L156-F214 HydrophobicContact CD1-CD2 4.18Å; L156-F214 HydrophobicContact CD2-CD1 4.15Å; L156-F214 HydrophobicContact CD2-CD2 3.33Å; L156-F214 HydrophobicContact CD2-CE1 3.98Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.85Å; L156-F214 HydrophobicContact CD2-CZ 3.49Å; L156-F214 VanDerWaalsContact CD2-CZ 3.49Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.58Å; L156-F214 HydrophobicContact CG-CG 4.15Å; L156-F214 HydrophobicContact CG-CZ 4.41Å; L156-L217 HydrophobicContact CD1-CB 3.89Å; L156-L217 HydrophobicContact CD1-CD1 3.37Å; L156-L217 HydrophobicContact CD1-CG 4.26Å; L156-V218 HydrophobicContact CD2-CG2 4.26Å
157A85Confident85.5Confident0 Ų046.2 Ų46.20%026%0.262CS..Hα-helixtrans-64.1-44.7179.700000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.37Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.37Å; L102-A157 HydrophobicContact CB-CB 4.47Å; L102-A157 HydrophobicContact CD1-CB 4.12Å; A105-A157 HydrophobicContact CB-CB 4.22Å; P153-A157 PolarHBondContact O-N 3.34Å; M154-A157 PolarHBondContact O-N 3.26Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.29Å; A157-L160 PolarHBondContact O-N 3.42Å; A157-T161 PolarHBondContact O-N 2.82Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 3.08Å
158V87.9Confident85.6Confident62 Ų6243.8 Ų43.838%0.37625%0.249SC..Hα-helixtrans-63.8-38.9177.6172.60000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.89Å; M154-V158 HydrophobicContact CE-CG2 3.97Å; M154-V158 HydrophobicContact CG-CG2 4.45Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.48Å; M154-V158 PolarHBondContact O-N 3.04Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.16Å; V158-T161 WeakPolarHBondContact CA-OG1 3.42Å; V158-T161 PolarHBondContact O-N 2.81Å; V158-T161 PolarHBondContact O-OG1 3.15Å; V158-A162 WeakPolarHBondContact O-CB 3.36Å; V158-A162 PolarHBondContact O-N 3.13Å
159R87.8Confident85.8Confident101 Ų10143.3 Ų43.338%0.38124%0.242SC..Hα-helixtrans-60.5-43.1177.5-168.1-172.8-60.81611.5111.7A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.45Å; A155-R159 PolarHBondContact O-N 3.49Å; L156-R159 PolarHBondContact O-N 3.41Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.29Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.3Å; R159-N163 PolarHBondContact O-ND2 3.39Å; R159-Q210 VanDerWaalsContact C-NE2 3.26Å; R159-Q210 VanDerWaalsContact CG-NE2 3.3Å
160L82.9Confident86.1Confident0 Ų045 Ų450%025%0.251CS..Hα-helixtrans-67-44.8179.4179.768.3000110.9I79 N83 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.01Å; I79-L160 HydrophobicContact CG2-CD2 4.14Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.23Å; T95-L160 HydrophobicContact CG2-CD2 4.47Å; N101-L160 HydrophobicContact CB-CD2 4.32Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 3.02Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.36Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.5Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.42Å; L156-L160 PolarHBondContact O-N 3.3Å; A157-L160 PolarHBondContact O-N 3.42Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.16Å; L160-I164 HydrophobicContact CD1-CD1 3.72Å; L160-I164 HydrophobicContact CG-CD1 4.18Å; L160-I164 WeakPolarHBondContact O-CG1 3.27Å; L160-I164 PolarHBondContact O-N 3.07Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.4Å; L160-Q210 HydrophobicContact CG-CG 4.43Å; L160-F214 HydrophobicContact CD2-CD2 4.47Å
161T86.3Confident86.5Confident13 Ų1341.2 Ų41.28%0.0823%0.23CC..Hα-helixtrans-65.2-45.7177.448.30000112.2T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.32Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4Å; N101-T161 HydrophobicContact CB-CG2 4.31Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.17Å; N101-T161 PolarHBondContact ND2-N 3.36Å; A157-T161 PolarHBondContact O-N 2.82Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 3.08Å; V158-T161 WeakPolarHBondContact CA-OG1 3.42Å; V158-T161 PolarHBondContact O-N 2.81Å; V158-T161 PolarHBondContact O-OG1 3.15Å; T161-N163 PolarHBondContact O-N 3.12Å; T161-I164 PolarHBondContact O-N 3.31Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.33Å; T161-T165 WeakPolarHBondContact O-CG2 3.25Å; T161-T165 PolarHBondContact O-N 3.24Å; T161-T165 PolarHBondContact O-OG1 2.68Å
162A85.9Confident86.7Confident41 Ų4140.7 Ų40.734%0.33923%0.226SC..Hα-helixtrans-64.2-44-172.500000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.36Å; V158-A162 PolarHBondContact O-N 3.13Å; A162-T165 PolarHBondContact O-OG1 3.44Å; A162-A166 WeakPolarHBondContact O-CB 3.39Å; A162-A166 PolarHBondContact O-N 3.5Å
163N88.5Confident87Confident60 Ų6041.6 Ų41.632%0.32123%0.232SC..Hα-helixtrans-64-48.3-179.3-69.7-6.9000111.3R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.3Å; R159-N163 PolarHBondContact O-ND2 3.39Å; T161-N163 PolarHBondContact O-N 3.12Å; N163-G167 PolarHBondContact O-N 2.98Å; N163-V206 HydrophobicContact CB-CG1 4.07Å
164I86.1Confident87.5Confident5 Ų542.7 Ų42.73%0.02624%0.237CC..Hα-helixtrans-70.5-41.4-176.8-59.2172.5000111.3N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.28Å; T93-I164 HydrophobicContact CG2-CG2 4.26Å; T95-I164 VanDerWaalsContact OG1-CD1 3.29Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.28Å; T96-I164 HydrophobicContact CG2-CB 4.36Å; T96-I164 HydrophobicContact CG2-CG2 3.64Å; L160-I164 HydrophobicContact CD1-CD1 3.72Å; L160-I164 HydrophobicContact CG-CD1 4.18Å; L160-I164 WeakPolarHBondContact O-CG1 3.27Å; L160-I164 PolarHBondContact O-N 3.07Å; T161-I164 PolarHBondContact O-N 3.31Å; I164-H168 WeakPolarHBondContact O-CB 3.13Å; I164-H168 PolarHBondContact O-CD2 3.37Å; I164-H168 VanDerWaalsContact O-CD2 3.29Å; I164-H168 PolarHBondContact O-N 3.15Å
165T88.3Confident87.8Confident35 Ų3540.1 Ų40.122%0.21523%0.23CC..Hα-helixtrans-65.9-45.8177.352.70000111.7F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.39Å; F9-T165 HydrophobicContact CE1-CG2 4.1Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.33Å; T161-T165 WeakPolarHBondContact O-CG2 3.25Å; T161-T165 PolarHBondContact O-N 3.24Å; T161-T165 PolarHBondContact O-OG1 2.68Å; A162-T165 PolarHBondContact O-OG1 3.44Å; T165-H168 PolarHBondContact O-N 3.42Å; T165-L169 WeakPolarHBondContact O-CB 3.48Å; T165-L169 WeakPolarHBondContact O-CG 3.45Å; T165-L169 PolarHBondContact O-N 2.93Å
166A87.9Confident88Confident55 Ų5540.9 Ų40.946%0.45523%0.233SC..Hα-helixtrans-64.4-43.5178.900000111.3A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.39Å; A162-A166 PolarHBondContact O-N 3.5Å; A166-L169 PolarHBondContact O-N 3.03Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.25Å; A166-L170 PolarHBondContact O-N 3.07Å
167G88.7Confident88.3Confident5 Ų542.4 Ų42.45%0.05225%0.247CC..Hα-helixtrans-58.7-48.8176.200000112.7N163 L169 L170 M171 E203N163-G167 PolarHBondContact O-N 2.98Å; G167-L169 PolarHBondContact O-N 3.12Å; G167-L170 PolarHBondContact O-N 3.47Å; G167-M171 WeakPolarHBondContact O-CG 3.39Å; G167-M171 PolarHBondContact O-N 3.48Å; G167-E203 WeakPolarHBondContact CA-OE2 3.42Å
168H88.4Confident88.6Confident33 Ų3343.5 Ų43.515%0.15325%0.254CS..Hα-helixtrans-62.1-43176.2-90.6-88.4000113.3F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.08Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; G86-H168 PolarHBondContact O-CE1 3.33Å; G86-H168 PolarHBondContact O-NE2 3.38Å; G86-H168 VanDerWaalsContact O-NE2 3.12Å; I164-H168 WeakPolarHBondContact O-CB 3.13Å; I164-H168 PolarHBondContact O-CD2 3.37Å; I164-H168 VanDerWaalsContact O-CD2 3.29Å; I164-H168 PolarHBondContact O-N 3.15Å; T165-H168 PolarHBondContact O-N 3.42Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-M171 PolarHBondContact O-N 2.94Å; H168-H172 WeakPolarHBondContact O-CB 3.45Å; H168-H172 PolarHBondContact O-N 3.29Å
169L88.8Confident88.7Confident42 Ų4246.6 Ų46.622%0.2227%0.268CS..Hα-helixtrans-62.2-42.7175.4-78.4170.3000111.4F6 F9 T165 A166 G167 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.38Å; F6-L169 HydrophobicContact CE1-CD1 4.08Å; F6-L169 HydrophobicContact CE1-CD2 4.04Å; F6-L169 HydrophobicContact CZ-CD2 4.46Å; F9-L169 HydrophobicContact CE2-CD1 4.41Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.74Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.9Å; T165-L169 WeakPolarHBondContact O-CB 3.48Å; T165-L169 WeakPolarHBondContact O-CG 3.45Å; T165-L169 PolarHBondContact O-N 2.93Å; A166-L169 PolarHBondContact O-N 3.03Å; G167-L169 PolarHBondContact O-N 3.12Å; L169-H172 PolarHBondContact O-N 3.14Å; L169-L173 WeakPolarHBondContact O-CB 3.48Å; L169-L173 WeakPolarHBondContact O-CG 3.28Å; L169-L173 PolarHBondContact O-N 3.11Å
170L90.5Very high88.8Confident79 Ų7944.1 Ų44.141%0.41427%0.268SS..Hα-helixtrans-67.7-42.1-178.9-155154.5000111A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.25Å; A166-L170 PolarHBondContact O-N 3.07Å; G167-L170 PolarHBondContact O-N 3.47Å; H168-L170 VanDerWaalsContact C-N 3.34Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.27Å; L170-L173 PolarHBondContact O-N 2.72Å; L170-I174 HydrophobicContact CD2-CD1 3.46Å; L170-I174 VanDerWaalsContact CD2-CD1 3.46Å; L170-I174 HydrophobicContact CD2-CG1 4.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.24Å; L170-I174 PolarHBondContact O-N 3Å; L170-L199 HydrophobicContact CB-CD2 4.35Å; L170-L199 HydrophobicContact CD2-CD1 3.69Å; L170-L199 HydrophobicContact CD2-CD2 3.23Å; L170-L199 HydrophobicContact CD2-CG 4.07Å; L170-L199 HydrophobicContact CG-CD2 4.37Å
171M90.9Very high89Confident30 Ų3047.1 Ų47.115%0.14828%0.283CS..Hα-helixtrans-58.8-43.3171.8-74.9-171.9-68.500111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.95Å; G167-M171 WeakPolarHBondContact O-CG 3.39Å; G167-M171 PolarHBondContact O-N 3.48Å; H168-M171 PolarHBondContact O-N 2.94Å; M171-G175 PolarHBondContact O-N 3Å; M171-L199 HydrophobicContact CB-CD2 4.28Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.13Å; M171-T200 HydrophobicContact SD-CG2 3.89Å; M171-E203 HydrophobicContact CE-CG 4.14Å
172H89.8Confident89.1Confident87 Ų8749.8 Ų49.840%0.40330%0.303SS..Hα-helixtrans-67.6-42178.5-169.8-60.9000112.2L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.4Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.11Å; H168-H172 WeakPolarHBondContact O-CB 3.45Å; H168-H172 PolarHBondContact O-N 3.29Å; L169-H172 PolarHBondContact O-N 3.14Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.27Å; H172-G175 PolarHBondContact O-N 3.26Å; H172-S176 PolarHBondContact O-N 3.27Å; H172-S176 PolarHBondContact O-OG 3Å
173L90.4Very high89.2Confident88 Ų8853.6 Ų53.646%0.46132%0.322SS..Hα-helixtrans-63.7-48.3178.6-74.5171.8000111.1L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.04Å; L5-L173 HydrophobicContact CD2-CD2 4.31Å; L169-L173 WeakPolarHBondContact O-CB 3.48Å; L169-L173 WeakPolarHBondContact O-CG 3.28Å; L169-L173 PolarHBondContact O-N 3.11Å; L170-L173 PolarHBondContact O-N 2.72Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.42Å; L173-S176 PolarHBondContact O-N 3.28Å; L173-S176 PolarHBondContact O-OG 3.5Å; L173-A177 PolarHBondContact O-N 2.9Å
174I91.8Very high89.2Confident34 Ų3455.7 Ų55.717%0.17433%0.332CS..Hα-helixtrans-64.2-40.3176.4-64.5-173000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.46Å; L170-I174 VanDerWaalsContact CD2-CD1 3.46Å; L170-I174 HydrophobicContact CD2-CG1 4.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.24Å; L170-I174 PolarHBondContact O-N 3Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 2.87Å; I174-A177 CarbonylContact O-C 3.59Å; I174-A177 WeakPolarHBondContact O-CB 3.48Å; I174-A177 PolarHBondContact O-N 2.84Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.27Å; I174-T178 PolarHBondContact O-N 3.46Å; I174-T178 PolarHBondContact O-OG1 3.38Å; I174-I192 HydrophobicContact CG2-CG2 3.82Å; I174-I195 HydrophobicContact CD1-CG2 4.07Å; I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å
175G90.7Very high89.3Confident24 Ų2460 Ų6025%0.24736%0.355CS..Hα-helixtrans-61.3-37.1174.800000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3Å; H172-G175 PolarHBondContact O-N 3.26Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.42Å; G175-T178 WeakPolarHBondContact CA-OG1 3.22Å; G175-T178 PolarHBondContact O-OG1 2.88Å; G175-L179 PolarHBondContact O-N 3.36Å
176S89.4Confident89.3Confident57 Ų5765.1 Ų65.140%0.39938%0.38SS..Hα-helixtrans-70.4-35.3173.571.90000112.2H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 3.27Å; H172-S176 PolarHBondContact O-OG 3Å; L173-S176 PolarHBondContact O-N 3.28Å; L173-S176 PolarHBondContact O-OG 3.5Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 2.87Å; S176-L179 PolarHBondContact O-N 3.5Å; S176-A180 WeakPolarHBondContact O-CB 3.33Å; S176-A180 PolarHBondContact O-N 3.35Å
177A89.1Confident89.4Confident40 Ų4067 Ų6733%0.33139%0.388SS..Hα-helixtrans-69.1-41.1175.900000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.9Å; I174-A177 CarbonylContact O-C 3.59Å; I174-A177 WeakPolarHBondContact O-CB 3.48Å; I174-A177 PolarHBondContact O-N 2.84Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.38Å; A177-A180 PolarHBondContact O-N 3.31Å; A177-M181 WeakPolarHBondContact O-CB 3.3Å; A177-M181 WeakPolarHBondContact O-CG 3.4Å; A177-M181 PolarHBondContact O-N 2.89Å
178T91Very high89.3Confident22 Ų2268.5 Ų68.514%0.13540%0.398CS..Hα-helixtrans-60.7-42.2174.356.40000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.27Å; I174-T178 PolarHBondContact O-N 3.46Å; I174-T178 PolarHBondContact O-OG1 3.38Å; G175-T178 WeakPolarHBondContact CA-OG1 3.22Å; G175-T178 PolarHBondContact O-OG1 2.88Å; T178-M181 PolarHBondContact O-N 3.34Å; T178-S182 WeakPolarHBondContact O-CB 3.45Å; T178-S182 PolarHBondContact O-N 2.86Å; T178-I192 HydrophobicContact CG2-CB 3.9Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å
179L90.1Very high89.5Confident128 Ų12868 Ų6867%0.6740%0.396SS*.Hα-helixtrans-66.5-42.7178.4-164.3136.4000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.36Å; S176-L179 PolarHBondContact O-N 3.5Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.38Å; L179-S182 WeakPolarHBondContact O-CB 3.44Å; L179-S182 PolarHBondContact O-N 2.97Å; L179-S182 PolarHBondContact O-OG 3.35Å
180A89.4Confident89.6Confident48 Ų4871.6 Ų71.640%0.39742%0.415SS..Hα-helixtrans-66.7-3717600000113.2S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.33Å; S176-A180 PolarHBondContact O-N 3.35Å; A177-A180 PolarHBondContact O-N 3.31Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.34Å; A180-T183 PolarHBondContact O-OG1 2.57Å
181M88Confident89.7Confident64 Ų6472.9 Ų72.932%0.31542%0.422SS..Hα-helixtrans-75.3-20.4177.9-66-65.3111.300112.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.3Å; A177-M181 WeakPolarHBondContact O-CG 3.4Å; A177-M181 PolarHBondContact O-N 2.89Å; T178-M181 PolarHBondContact O-N 3.34Å; M181-T183 PolarHBondContact O-N 2.98Å; M181-I184 HydrophobicContact CE-CD1 3.62Å; M181-I184 PolarHBondContact O-N 2.77Å; M181-I184 HydrophobicContact SD-CD1 4.09Å; M181-N185 PolarHBondContact O-N 3.29Å; M181-N185 VanDerWaalsContact O-N 3.15Å; M181-T189 HydrophobicContact CB-CG2 3.58Å; M181-T189 WeakPolarHBondContact O-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.21Å; M181-I192 HydrophobicContact CG-CD1 3.67Å
182S88.2Confident89.8Confident69 Ų6973.4 Ų73.448%0.48343%0.425SS..Hα-helixtrans-61.1-29.8-178.876.50000112.7T178 L179 A180T178-S182 WeakPolarHBondContact O-CB 3.45Å; T178-S182 PolarHBondContact O-N 2.86Å; L179-S182 WeakPolarHBondContact O-CB 3.44Å; L179-S182 PolarHBondContact O-N 2.97Å; L179-S182 PolarHBondContact O-OG 3.35Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.34Å
183T88Confident90Very high120 Ų12074.6 Ų74.674%0.73643%0.429SS*.THydrogen-bonded Turntrans-82.4-14.9177.859.50000113.3A180 M181A180-T183 PolarHBondContact O-OG1 2.57Å; M181-T183 PolarHBondContact O-N 2.98Å
184I87.9Confident90.2Very high104 Ų10474 Ų7453%0.53343%0.429SS..THydrogen-bonded Turntrans-98.5-64.9-174.2-56.8171.2000110.3M181M181-I184 HydrophobicContact CE-CD1 3.62Å; M181-I184 PolarHBondContact O-N 2.77Å; M181-I184 HydrophobicContact SD-CD1 4.09Å
185N88.4Confident90.3Very high97 Ų9776.3 Ų76.352%0.51944%0.441SS..  trans-147.4119-171.5-82.7-21.3000112.4M181 S188 T189M181-N185 PolarHBondContact O-N 3.29Å; M181-N185 VanDerWaalsContact O-N 3.15Å; N185-S188 PolarHBondContact O-N 3.47Å; N185-S188 PolarHBondContact O-OG 3.02Å; N185-T189 PolarHBondContact O-N 2.86Å
186L87.8Confident90.4Very high142 Ų14276.7 Ų76.774%0.74344%0.437SS*.Hα-helixtrans-58.9-38.5178.6-157.1101.6000116.2T189 L190L186-T189 WeakPolarHBondContact CA-OG1 3.46Å; L186-T189 PolarHBondContact O-OG1 3.26Å; L186-L190 PolarHBondContact O-N 3.41Å
187P89.2Confident90.6Very high95 Ų9577.6 Ų77.662%0.61744%0.437SS*.Hα-helixtrans-70.5-34.3179.925.2-32.9000112.2L190 I191P187-L190 PolarHBondContact O-N 2.94Å; P187-I191 PolarHBondContact O-N 3.39Å
188S87.5Confident90.9Very high36 Ų3681.4 Ų81.425%0.25245%0.451SS..Hα-helixtrans-69.3-34.817870.20000112.5N185 I191 I192N185-S188 PolarHBondContact O-N 3.47Å; N185-S188 PolarHBondContact O-OG 3.02Å; S188-I191 PolarHBondContact O-N 3.44Å; S188-I192 WeakPolarHBondContact O-CG1 3.47Å; S188-I192 PolarHBondContact O-N 3.38Å
189T92.4Very high91Very high21 Ų2181.5 Ų81.513%0.12945%0.45CS..Hα-helixtrans-68.3-36.9176.2500000112.8M181 N185 L186 I191 I192 F193M181-T189 HydrophobicContact CB-CG2 3.58Å; M181-T189 WeakPolarHBondContact O-CG2 3.37Å; N185-T189 PolarHBondContact O-N 2.86Å; L186-T189 WeakPolarHBondContact CA-OG1 3.46Å; L186-T189 PolarHBondContact O-OG1 3.26Å; T189-I191 VanDerWaalsContact C-N 3.27Å; T189-I191 PolarHBondContact O-N 3.29Å; T189-I192 PolarHBondContact O-N 2.96Å; T189-F193 WeakPolarHBondContact O-CB 3Å; T189-F193 PolarHBondContact O-N 3Å
190L91.7Very high91.1Very high118 Ų11877.9 Ų77.962%0.61843%0.434SS*.Hα-helixtrans-58.1-44175.5-158.394.2000110.7L186 P187 F193 T194L186-L190 PolarHBondContact O-N 3.41Å; P187-L190 PolarHBondContact O-N 2.94Å; L190-F193 PolarHBondContact O-N 3.14Å; L190-T194 WeakPolarHBondContact O-CG2 3.07Å; L190-T194 PolarHBondContact O-N 3.47Å
191I92.8Very high91.3Very high107 Ų10780.4 Ų80.455%0.54944%0.439SS..Hα-helixtrans-63.3-46.6178.4-64.4158.6000111.4P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.39Å; S188-I191 PolarHBondContact O-N 3.44Å; T189-I191 VanDerWaalsContact C-N 3.27Å; T189-I191 PolarHBondContact O-N 3.29Å; I191-F193 VanDerWaalsContact C-N 3.28Å; I191-F193 PolarHBondContact O-N 2.97Å; I191-T194 PolarHBondContact O-N 2.95Å; I191-T194 PolarHBondContact O-OG1 2.95Å; I191-I195 HydrophobicContact CG2-CD1 4.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.23Å; I191-I195 PolarHBondContact O-N 2.95Å
192I93.2Very high91.5Very high41 Ų4182.1 Ų82.121%0.2145%0.449CS..Hα-helixtrans-69.4-32.7-179.5-56.8167.8000110.4I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.82Å; T178-I192 HydrophobicContact CG2-CB 3.9Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å; M181-I192 HydrophobicContact CB-CD1 4.21Å; M181-I192 HydrophobicContact CG-CD1 3.67Å; S188-I192 WeakPolarHBondContact O-CG1 3.47Å; S188-I192 PolarHBondContact O-N 3.38Å; T189-I192 PolarHBondContact O-N 2.96Å; I192-I195 WeakPolarHBondContact O-CB 3.14Å; I192-I195 PolarHBondContact O-N 3.49Å; I192-L196 PolarHBondContact O-N 3.24Å
193F93Very high91.6Very high111 Ų11179.4 Ų79.449%0.48743%0.429SS..Hα-helixtrans-67.3-38.7175.3-174.2-105.9000112.5T189 L190 I191 I195 L196 I197T189-F193 WeakPolarHBondContact O-CB 3Å; T189-F193 PolarHBondContact O-N 3Å; L190-F193 PolarHBondContact O-N 3.14Å; I191-F193 VanDerWaalsContact C-N 3.28Å; I191-F193 PolarHBondContact O-N 2.97Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.74Å; F193-L196 HydrophobicContact CD2-CD2 4.41Å; F193-L196 WeakPolarHBondContact O-CB 3.35Å; F193-L196 PolarHBondContact O-N 3.24Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.25Å; F193-I197 HydrophobicContact CZ-CD1 4.11Å; F193-I197 HydrophobicContact CZ-CG1 4.44Å; F193-I197 PolarHBondContact O-N 3.38Å
194T93.8Very high91.8Very high76 Ų7677.8 Ų77.847%0.46642%0.415SS..Hα-helixtrans-64.4-37.3172.860.60000111.8L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.07Å; L190-T194 PolarHBondContact O-N 3.47Å; I191-T194 PolarHBondContact O-N 2.95Å; I191-T194 PolarHBondContact O-OG1 2.95Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-I197 PolarHBondContact O-N 2.88Å; T194-L198 PolarHBondContact O-N 3.38Å
195I94.4Very high92Very high83 Ų8375 Ų7543%0.42641%0.407SS..Hα-helixtrans-62-42.5173.2-65.1167.2000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.07Å; I191-I195 HydrophobicContact CG2-CD1 4.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.23Å; I191-I195 PolarHBondContact O-N 2.95Å; I192-I195 WeakPolarHBondContact O-CB 3.14Å; I192-I195 PolarHBondContact O-N 3.49Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.74Å; I195-I197 PolarHBondContact O-N 2.98Å; I195-L198 PolarHBondContact O-N 2.88Å; I195-L199 WeakPolarHBondContact O-CB 3.29Å; I195-L199 PolarHBondContact O-N 3.45Å
196L93.8Very high92.2Very high31 Ų3172.2 Ų72.216%0.16239%0.394CS..Hα-helixtrans-59.6-45.2176.1-177.766.7000111.6I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 PolarHBondContact O-N 3.24Å; F193-L196 HydrophobicContact CD2-CD2 4.41Å; F193-L196 WeakPolarHBondContact O-CB 3.35Å; F193-L196 PolarHBondContact O-N 3.24Å; T194-L196 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 2.88Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 3.41Å; L196-T200 WeakPolarHBondContact O-CG2 3.46Å; L196-T200 PolarHBondContact O-N 3.47Å
197I93.3Very high92.2Very high77 Ų7765.8 Ų65.840%0.39536%0.361SS..Hα-helixtrans-60.5-47.1176.6-67.5165.3000110.4F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.25Å; F193-I197 HydrophobicContact CZ-CD1 4.11Å; F193-I197 HydrophobicContact CZ-CG1 4.44Å; F193-I197 PolarHBondContact O-N 3.38Å; T194-I197 PolarHBondContact O-N 2.88Å; I195-I197 PolarHBondContact O-N 2.98Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.45Å; I197-T200 PolarHBondContact O-N 3.42Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 3.12Å; I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.33Å; I197-I201 PolarHBondContact O-N 3.16Å; I197-I201 VanDerWaalsContact O-N 3.12Å
198L95Very high92.3Very high120 Ų12066.5 Ų66.563%0.62836%0.359SS*.Hα-helixtrans-60.2-40.6179.3-17663.7000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.38Å; I195-L198 PolarHBondContact O-N 2.88Å; L196-L198 PolarHBondContact O-N 2.88Å; L198-I201 PolarHBondContact O-N 3.46Å; L198-L202 PolarHBondContact O-N 3.43Å
199L93.6Very high92.4Very high23 Ų2369.4 Ų69.412%0.1237%0.371CS..Hα-helixtrans-62.6-42.8175.6-178.772.3000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.35Å; L170-L199 HydrophobicContact CD2-CD1 3.69Å; L170-L199 HydrophobicContact CD2-CD2 3.23Å; L170-L199 HydrophobicContact CD2-CG 4.07Å; L170-L199 HydrophobicContact CG-CD2 4.37Å; M171-L199 HydrophobicContact CB-CD2 4.28Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.13Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å; I195-L199 WeakPolarHBondContact O-CB 3.29Å; I195-L199 PolarHBondContact O-N 3.45Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 3.41Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.45Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.18Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.47Å; L199-L202 PolarHBondContact O-N 3.31Å; L199-E203 PolarHBondContact O-N 2.87Å
200T91.7Very high92.3Very high53 Ų5368.9 Ų68.933%0.32537%0.367SS..Hα-helixtrans-62-38.4177.860.80000111.9M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.89Å; L196-T200 WeakPolarHBondContact O-CG2 3.46Å; L196-T200 PolarHBondContact O-N 3.47Å; I197-T200 PolarHBondContact O-N 3.42Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 3.12Å; T200-E203 PolarHBondContact O-N 3.05Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.43Å; T200-I204 PolarHBondContact O-N 3.35Å
201I93.2Very high92.2Very high100 Ų10063.3 Ų63.351%0.51334%0.338SS..Hα-helixtrans-64.7-43.7175.5-64.7167.8000110.5I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.33Å; I197-I201 PolarHBondContact O-N 3.16Å; I197-I201 VanDerWaalsContact O-N 3.12Å; L198-I201 PolarHBondContact O-N 3.46Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.18Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.47Å; I201-I204 PolarHBondContact O-N 3.01Å; I201-A205 PolarHBondContact O-N 2.96Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L92.2Very high92.1Very high100 Ų10062.9 Ų62.952%0.52433%0.33SS..Hα-helixtrans-59.2-45.4175.8179.667.5000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.43Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.47Å; L199-L202 PolarHBondContact O-N 3.31Å; L202-I204 PolarHBondContact O-N 2.95Å; L202-A205 WeakPolarHBondContact O-CB 3.42Å; L202-A205 PolarHBondContact O-N 3.02Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 3.2Å
203E91.3Very high92Very high13 Ų1362.8 Ų62.86%0.06133%0.331CS..Hα-helixtrans-67-37.2-176.9-162.164.7-160.200112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.4Å; L87-E203 HydrophobicContact CD2-CB 4.19Å; L87-E203 HydrophobicContact CD2-CG 3.39Å; G167-E203 WeakPolarHBondContact CA-OE2 3.42Å; M171-E203 HydrophobicContact CE-CG 4.14Å; L199-E203 PolarHBondContact O-N 2.87Å; T200-E203 PolarHBondContact O-N 3.05Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.47Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.14Å; E203-V206 PolarHBondContact O-N 3.04Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.35Å; E203-A207 PolarHBondContact O-N 2.91Å
204I91.3Very high91.7Very high85 Ų8557.6 Ų57.644%0.43631%0.308SS..Hα-helixtrans-59.4-43.2171.7-67.3164.7000110.7L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.23Å; L87-I204 HydrophobicContact CD1-CG1 3.64Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.43Å; T200-I204 PolarHBondContact O-N 3.35Å; I201-I204 PolarHBondContact O-N 3.01Å; L202-I204 PolarHBondContact O-N 2.95Å; I204-L208 PolarHBondContact O-N 3Å
205A92.2Very high91.5Very high45 Ų4554 Ų5437%0.37229%0.286SS..Hα-helixtrans-65.7-45.6177.200000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.96Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.42Å; L202-A205 PolarHBondContact O-N 3.02Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.14Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.46Å; A205-L208 PolarHBondContact O-N 2.63Å; A205-I209 WeakPolarHBondContact O-CB 3.48Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.45Å; A205-I209 PolarHBondContact O-N 2.82Å
206V92Very high91.2Very high40 Ų4052.8 Ų52.824%0.24228%0.281CS..Hα-helixtrans-61.3-42.5178.2172.70000111N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.07Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 3.2Å; E203-V206 PolarHBondContact O-N 3.04Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.31Å; V206-I209 PolarHBondContact O-N 3.2Å; V206-Q210 WeakPolarHBondContact O-CB 3.49Å; V206-Q210 PolarHBondContact O-N 2.99Å
207A89.6Confident90.9Very high6 Ų653.1 Ų53.15%0.0528%0.282CS..Hα-helixtrans-57.6-41.8178.100000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 3.25Å; L87-A207 HydrophobicContact CD1-CB 4.07Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.35Å; E203-A207 PolarHBondContact O-N 2.91Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.46Å; A207-A211 PolarHBondContact O-N 2.89Å
208L89.6Confident90.5Very high111 Ų11149.8 Ų49.858%0.58127%0.265SS*.Hα-helixtrans-75.3-45179.1-168.8150.1000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3Å; A205-L208 PolarHBondContact O-N 2.63Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.31Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.49Å; L208-A211 PolarHBondContact O-N 3.35Å; L208-Y212 PolarHBondContact O-N 3.03Å; L208-Y212 VanDerWaalsContact O-N 3.17Å
209I91.3Very high90.1Very high97 Ų9744.5 Ų44.550%0.49724%0.239SC..Hα-helixtrans-60.3-41177.7-68.9166.8000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.48Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.45Å; A205-I209 PolarHBondContact O-N 2.82Å; V206-I209 PolarHBondContact O-N 3.2Å; I209-A211 PolarHBondContact O-N 3.44Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 2.82Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.27Å; I209-V213 PolarHBondContact O-N 2.95Å
210Q89.6Confident89.7Confident10 Ų1047.1 Ų47.15%0.04725%0.252CS..Hα-helixtrans-66.8-38.1-177.6-173.663.4800112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.26Å; R159-Q210 VanDerWaalsContact CG-NE2 3.3Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.4Å; L160-Q210 HydrophobicContact CG-CG 4.43Å; V206-Q210 WeakPolarHBondContact O-CB 3.49Å; V206-Q210 PolarHBondContact O-N 2.99Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.49Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.24Å; Q210-F214 PolarHBondContact O-N 3.45Å
211A90.1Very high89.2Confident0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-61.6-42.317200000111.6I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.48Å; I79-A211 HydrophobicContact CB-CB 4.01Å; I79-A211 HydrophobicContact CG2-CB 3.75Å; A80-A211 HydrophobicContact CB-CB 3.92Å; A207-A211 PolarHBondContact O-N 2.89Å; L208-A211 PolarHBondContact O-N 3.35Å; I209-A211 PolarHBondContact O-N 3.44Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 3.47Å; A211-T215 PolarHBondContact O-OG1 2.99Å; A211-T215 VanDerWaalsContact O-OG1 3.08Å
212Y90Very high88.7Confident98 Ų9840.9 Ų40.938%0.38422%0.217SC..Hα-helixtrans-64.6-50.2176.5177.9-101.1000112.3M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.42Å; I76-Y212 HydrophobicContact CD1-CD2 4.12Å; L208-Y212 PolarHBondContact O-N 3.03Å; L208-Y212 VanDerWaalsContact O-N 3.17Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 2.82Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.49Å; Y212-T215 PolarHBondContact O-N 3.29Å; Y212-T215 PolarHBondContact O-OG1 3.48Å; Y212-L216 HydrophobicContact CE1-CD1 3.62Å; Y212-L216 VanDerWaalsContact O-CB 3.31Å; Y212-L216 WeakPolarHBondContact O-CB 3.38Å; Y212-L216 PolarHBondContact O-N 3.31Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å
213V90.2Very high88.2Confident40 Ų4040 Ų4024%0.24221%0.21CC..Hα-helixtrans-61.8-38179.6172.60000111.4I209 L217I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.27Å; I209-V213 PolarHBondContact O-N 2.95Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 WeakPolarHBondContact O-CG 3.39Å; V213-L217 PolarHBondContact O-N 3.23Å
214F88.1Confident87.6Confident1 Ų142.9 Ų42.90%0.00423%0.226CC..Hα-helixtrans-57.4-53.8176.1-172.6-81.5000111.3L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.02Å; L75-F214 HydrophobicContact CD2-CD1 3.86Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.26Å; L75-F214 HydrophobicContact CG-CE1 4.17Å; I79-F214 HydrophobicContact CD1-CB 4.22Å; I79-F214 HydrophobicContact CD1-CD1 3.32Å; I79-F214 HydrophobicContact CD1-CD2 4.33Å; I79-F214 HydrophobicContact CD1-CE1 3.68Å; I79-F214 HydrophobicContact CD1-CG 3.71Å; I79-F214 HydrophobicContact CD1-CZ 4.32Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.13Å; L108-F214 HydrophobicContact CD1-CE1 4.24Å; L156-F214 HydrophobicContact CD1-CD2 4.18Å; L156-F214 HydrophobicContact CD2-CD1 4.15Å; L156-F214 HydrophobicContact CD2-CD2 3.33Å; L156-F214 HydrophobicContact CD2-CE1 3.98Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.85Å; L156-F214 HydrophobicContact CD2-CZ 3.49Å; L156-F214 VanDerWaalsContact CD2-CZ 3.49Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.58Å; L156-F214 HydrophobicContact CG-CG 4.15Å; L156-F214 HydrophobicContact CG-CZ 4.41Å; L160-F214 HydrophobicContact CD2-CD2 4.47Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.24Å; Q210-F214 PolarHBondContact O-N 3.45Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.49Å; F214-L217 PolarHBondContact O-N 3.05Å; F214-V218 HydrophobicContact CD1-CG2 4.39Å; F214-V218 HydrophobicContact CE1-CG2 4.21Å; F214-V218 WeakPolarHBondContact O-CG2 3.21Å; F214-V218 PolarHBondContact O-N 3.32Å
215T89.1Confident86.8Confident0 Ų040.3 Ų40.30%021%0.213CC..Hα-helixtrans-70.8-34.6-177.456.40000113M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.31Å; L75-T215 HydrophobicContact CB-CG2 4.1Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.74Å; 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 4.12Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 3.47Å; A211-T215 PolarHBondContact O-OG1 2.99Å; A211-T215 VanDerWaalsContact O-OG1 3.08Å; Y212-T215 PolarHBondContact O-N 3.29Å; Y212-T215 PolarHBondContact O-OG1 3.48Å; T215-V218 PolarHBondContact O-N 3.12Å; T215-S219 WeakPolarHBondContact O-CB 3.47Å; T215-S219 PolarHBondContact O-N 3Å
216L88.4Confident85.7Confident59 Ų5939.4 Ų39.431%0.30920%0.203SC..Hα-helixtrans-62.6-46.1175.6-175.4148000111Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.62Å; Y212-L216 VanDerWaalsContact O-CB 3.31Å; Y212-L216 WeakPolarHBondContact O-CB 3.38Å; Y212-L216 PolarHBondContact O-N 3.31Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å; L216-V218 PolarHBondContact O-N 3.33Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 PolarHBondContact O-N 3.27Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 2.91Å; L216-L220 PolarHBondContact O-N 3.15Å
217L86.6Confident85.4Confident38 Ų3839.4 Ų39.420%0.19920%0.201CC..Hα-helixtrans-62.7-43.1177.9-76.2166.4000111.8L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.89Å; L156-L217 HydrophobicContact CD1-CD1 3.37Å; L156-L217 HydrophobicContact CD1-CG 4.26Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 WeakPolarHBondContact O-CG 3.39Å; V213-L217 PolarHBondContact O-N 3.23Å; F214-L217 PolarHBondContact O-N 3.05Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.35Å; L217-L220 PolarHBondContact O-N 2.99Å; L217-Y221 HydrophobicContact CB-CE2 4.16Å; L217-Y221 WeakPolarHBondContact O-CD2 3.4Å; L217-Y221 WeakPolarHBondContact O-CE2 3.44Å; L217-Y221 PolarHBondContact O-N 3.23Å
218V86Confident85.2Confident6 Ų641.2 Ų41.24%0.03621%0.209CC..Hα-helixtrans-59-41173.2177.20000111.4L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.28Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å; L108-V218 HydrophobicContact CB-CG1 4.36Å; L156-V218 HydrophobicContact CD2-CG2 4.26Å; F214-V218 HydrophobicContact CD1-CG2 4.39Å; F214-V218 HydrophobicContact CE1-CG2 4.21Å; F214-V218 WeakPolarHBondContact O-CG2 3.21Å; F214-V218 PolarHBondContact O-N 3.32Å; T215-V218 PolarHBondContact O-N 3.12Å; L216-V218 PolarHBondContact O-N 3.33Å; V218-Y221 PolarHBondContact O-N 2.67Å; V218-L222 PolarHBondContact O-N 3.15Å; V218-L222 VanDerWaalsContact O-N 3.08Å
219S86.9Confident84.9Confident10 Ų1037.3 Ų37.37%0.0719%0.188CC..Hα-helixtrans-68.7-37.6178.181.30000112.2H61 T215 L216 L217 Y221 L222 H223H61-S219 PolarHBondContact NE2-O 3.34Å; T215-S219 WeakPolarHBondContact O-CB 3.47Å; T215-S219 PolarHBondContact O-N 3Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 PolarHBondContact O-N 3.27Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 2.91Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.35Å; S219-Y221 PolarHBondContact O-N 2.76Å; S219-L222 WeakPolarHBondContact O-CB 3.43Å; S219-L222 PolarHBondContact O-N 2.76Å; S219-H223 PolarHBondContact O-N 3.35Å
220L84.6Confident84.5Confident78 Ų7833.8 Ų33.841%0.40817%0.17SC..Hα-helixtrans-63.6-41.9174.1-169.1148.6000111.4L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.15Å; L217-L220 PolarHBondContact O-N 2.99Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 2.83Å; L220-H223 WeakPolarHBondContact O-CA 3.38Å; L220-H223 WeakPolarHBondContact O-CB 3.41Å; L220-H223 PolarHBondContact O-N 3.31Å; L220-D224 VanDerWaalsContact CD2-OD2 3.23Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.49Å; L220-D224 PolarHBondContact O-N 3.35Å
221Y80.5Confident84.2Confident20 Ų2035.3 Ų35.38%0.07818%0.177CC..Hα-helixtrans-61.5-38.1173.4-62.7-48.7000112.6Q152 L217 V218 S219 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.35Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.48Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.3Å; Q152-Y221 PolarHBondContact NE2-OH 3.34Å; Q152-Y221 PolarHBondContact OE1-OH 3.27Å; L217-Y221 HydrophobicContact CB-CE2 4.16Å; L217-Y221 WeakPolarHBondContact O-CD2 3.4Å; L217-Y221 WeakPolarHBondContact O-CE2 3.44Å; L217-Y221 PolarHBondContact O-N 3.23Å; V218-Y221 PolarHBondContact O-N 2.67Å; S219-Y221 PolarHBondContact O-N 2.76Å; Y221-H223 VanDerWaalsContact C-N 3.3Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.22Å; Y221-N225 PolarHBondContact O-N 2.95Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.35Å
222L82.3Confident83.8Confident2 Ų237.6 Ų37.61%0.0119%0.189CC..Hα-helixtrans-65.1-39.7175.2-168.476.3000110.8W68 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 3.67Å; W68-L222 HydrophobicContact CD2-CD2 4.1Å; W68-L222 HydrophobicContact CE3-CD1 3.96Å; W68-L222 HydrophobicContact CE3-CD2 4.46Å; W68-L222 HydrophobicContact CG-CD1 3.94Å; W68-L222 HydrophobicContact CG-CD2 3.64Å; W68-L222 HydrophobicContact CG-CG 4.47Å; W68-L222 HydrophobicContact CZ2-CD1 4.36Å; W68-L222 HydrophobicContact CZ3-CD1 4.4Å; A112-L222 HydrophobicContact CB-CD1 4.43Å; M115-L222 HydrophobicContact SD-CD1 4.28Å; V218-L222 PolarHBondContact O-N 3.15Å; V218-L222 VanDerWaalsContact O-N 3.08Å; S219-L222 WeakPolarHBondContact O-CB 3.43Å; S219-L222 PolarHBondContact O-N 2.76Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 2.83Å; L222-N225 PolarHBondContact O-N 3.47Å; L222-T226 HydrophobicContact CD1-CG2 4.41Å; L222-T226 HydrophobicContact CG-CG2 4.25Å; L222-T226 WeakPolarHBondContact O-CB 3.43Å; L222-T226 WeakPolarHBondContact O-CG2 3.37Å; L222-T226 PolarHBondContact O-N 3.17Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.43Å
223H82Confident83.4Confident82 Ų8233.3 Ų33.338%0.3818%0.175SC..Hα-helixtrans-60.6-50.8175.7-174.183.4000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.39Å; M60-H223 PolarHBondContact O-ND1 3.3Å; S219-H223 PolarHBondContact O-N 3.35Å; L220-H223 WeakPolarHBondContact O-CA 3.38Å; L220-H223 WeakPolarHBondContact O-CB 3.41Å; L220-H223 PolarHBondContact O-N 3.31Å; Y221-H223 VanDerWaalsContact C-N 3.3Å; H223-N225 PolarHBondContact O-N 3.17Å; H223-T226 PolarHBondContact O-N 2.81Å; H223-T226 VanDerWaalsContact O-N 3.15Å; H223-T226 PolarHBondContact O-OG1 3.46Å
224D78.5Confident82.9Confident73 Ų7332.8 Ų32.839%0.3917%0.17SC..Hα-helixtrans-61.8-30.6-179.6-64.7-15.8000112.5L220L220-D224 VanDerWaalsContact CD2-OD2 3.23Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.49Å; L220-D224 PolarHBondContact O-N 3.35Å
225N74.6Confident82.4Confident31 Ų3135.4 Ų35.417%0.16618%0.184CC..THydrogen-bonded Turntrans-92.50.8-179.8-73.8-68.9000114.5G116 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.2Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.22Å; Y221-N225 PolarHBondContact O-N 2.95Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.35Å; L222-N225 PolarHBondContact O-N 3.47Å; H223-N225 PolarHBondContact O-N 3.17Å
226T69.7Low81.8Confident26 Ų2638.6 Ų38.616%0.1620%0.201CC..  trans-110.60-178.751.50000115M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.42Å; K120-T226 WeakPolarHBondContact CE-O 3.19Å; K120-T226 PolarHBondContact NZ-O 3.45Å; K120-T226 PolarHBondContact NZ-OXT 3.29Å; L222-T226 HydrophobicContact CD1-CG2 4.41Å; L222-T226 HydrophobicContact CG-CG2 4.25Å; L222-T226 WeakPolarHBondContact O-CB 3.43Å; L222-T226 WeakPolarHBondContact O-CG2 3.37Å; L222-T226 PolarHBondContact O-N 3.17Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.43Å; H223-T226 PolarHBondContact O-N 2.81Å; H223-T226 VanDerWaalsContact O-N 3.15Å; H223-T226 PolarHBondContact O-OG1 3.46Å

Retrieved 226 of 226 residues in 243.4 ms (Link to these results)

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