A0A023Q9F0_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023Q9F0, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.6Low73.1Confident200 Ų20098.4 Ų98.499%0.98553%0.53SS*.  0-38.60-76.117310500112.7E3 N4M1-E3 PolarHBondContact O-N 3.42Å; M1-N4 PolarHBondContact O-N 3.31Å
2N53Low73.9Confident142 Ų14293.3 Ų93.376%0.75951%0.506SS*.THydrogen-bonded Turntrans-58.7-39.4-177.8-84.518.7000115.5
3E61Low74.9Confident161 Ų16193.7 Ų93.775%0.75251%0.514SS*.THydrogen-bonded Turntrans-80.5-20.6-177.6-60.8-138.7155.100114M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.42Å; E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.36Å; E3-F6 PolarHBondContact O-N 3.3Å; E3-A7 PolarHBondContact O-N 3.36Å; E3-A7 VanDerWaalsContact O-N 3.12Å
4N73.7Confident75.7Confident116 Ų11694.8 Ų94.862%0.6252%0.517SS*.THydrogen-bonded Turntrans-69.6-28.1-176.6-65.36.2000112M1M1-N4 PolarHBondContact O-N 3.31Å
5L74.1Confident76.3Confident45 Ų45100.2 Ų100.224%0.23654%0.544CS..THydrogen-bonded Turntrans-69.1-34.7177.4-67.3177.5000112.2E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.36Å; L5-H172 VanDerWaalsContact CD2-CE1 3.4Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.39Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.08Å; L5-L173 HydrophobicContact CD1-CD2 4.15Å; L5-L173 HydrophobicContact CD2-CD2 4.39Å
6F80.9Confident76.7Confident116 Ų11698.4 Ų98.451%0.50956%0.556SS.*THydrogen-bonded Turntrans-94.4-9.3-176.8-66.8-76.2000113.6E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.3Å; F6-S8 PolarHBondContact O-N 3.06Å; F6-S8 VanDerWaalsContact O-N 3.14Å; F6-F9 AromaticContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 PolarHBondContact O-N 3.32Å; F6-L169 HydrophobicContact CD1-CD2 4.4Å; F6-L169 HydrophobicContact CE1-CD1 4.13Å; F6-L169 HydrophobicContact CE1-CD2 4.03Å; F6-L169 HydrophobicContact CZ-CD2 4.45Å
7A78.6Confident77.1Confident54 Ų5499.9 Ų99.945%0.44656%0.561SS.*G310 helixtrans-55.1-33.1-179.800000113.1E3 F9 I10E3-A7 PolarHBondContact O-N 3.36Å; E3-A7 VanDerWaalsContact O-N 3.12Å; A7-F9 VanDerWaalsContact C-N 3.25Å; A7-F9 PolarHBondContact O-N 3.07Å; A7-I10 PolarHBondContact O-N 2.85Å
8S78.4Confident77.6Confident57 Ų5798.7 Ų98.740%0.39956%0.558SS.*G310 helixtrans-69.5-18.617757.10000114.3F6 F92F6-S8 PolarHBondContact O-N 3.06Å; F6-S8 VanDerWaalsContact O-N 3.14Å; S8-F92 WeakPolarHBondContact O-CD2 3.5Å
9F81.9Confident78Confident23 Ų2394.5 Ų94.510%0.10154%0.537CS..G310 helixtrans-94.1-9.8178-58.3-70.7000113F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 PolarHBondContact O-N 3.32Å; A7-F9 VanDerWaalsContact C-N 3.25Å; A7-F9 PolarHBondContact O-N 3.07Å; F9-A11 PolarHBondContact O-N 3.14Å; F9-T96 HydrophobicContact CD1-CG2 3.87Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; F9-Q97 PolarHBondContact O-NE2 2.83Å; F9-T165 HydrophobicContact CD1-CG2 4.41Å; F9-T165 HydrophobicContact CE1-CG2 4.11Å; F9-H168 HydrophobicContact CE1-CB 4.13Å; F9-H168 HydrophobicContact CZ-CB 3.85Å; F9-L169 HydrophobicContact CE2-CD1 4.49Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.8Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.94Å
10I84.3Confident78.3Confident117 Ų11790.8 Ų90.860%0.652%0.519SS*.SBendtrans-70130.1178.3-58.7175.2000108.5A7 P12A7-I10 PolarHBondContact O-N 2.85Å; I10-P12 WeakPolarHBondContact O-CD 3.36Å
11A82.8Confident78.7Confident51 Ų5190.4 Ų90.442%0.42152%0.518SS..PPolyproline II helixtrans-59.2120.8179.600000110.2F9 T13 F92F9-A11 PolarHBondContact O-N 3.14Å; A11-T13 PolarHBondContact O-N 3.36Å; A11-F92 HydrophobicContact CB-CZ 4.45Å
12P82.9Confident80.1Confident37 Ų3787 Ų8724%0.2450%0.503CS..PPolyproline II helixtrans-71126.9-174.326.8-33.2000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.36Å; P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.32Å; P12-A19 WeakPolarHBondContact O-CB 3.29Å; P12-A19 PolarHBondContact O-N 3Å; P12-I23 HydrophobicContact CG-CD1 3.72Å; P12-F92 HydrophobicContact CG-CB 4.36Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.08Å
13T86.3Confident81.7Confident99 Ų9982.7 Ų82.761%0.60748%0.479SS*.EExtended strand (participates in β ladder)trans-117.4124.5170.153.50000108.4A11 L17A11-T13 PolarHBondContact O-N 3.36Å; T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.44Å
14I86Confident83Confident109 Ų10977.5 Ų77.556%0.55946%0.456SS*.EExtended strand (participates in β ladder)trans-110.9122.4176.3-63.4172.4000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 2.96Å; I14-G16 VanDerWaalsContact O-N 3.12Å; I14-L17 PolarHBondContact N-O 3.35Å; I14-L17 PolarHBondContact O-N 2.94Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.94Å
15L84.4Confident83.6Confident176 Ų17677.6 Ų77.692%0.92146%0.456SS*.THydrogen-bonded Turntrans54.630.9179.4-71.9149.5000113.7L17L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.41Å
16G83.4Confident84.3Confident71 Ų7179.7 Ų79.773%0.73246%0.463SS*.THydrogen-bonded Turntrans80.6-2.2-177.500000115.2I14I14-G16 PolarHBondContact O-N 2.96Å; I14-G16 VanDerWaalsContact O-N 3.12Å
17L83.9Confident84.7Confident125 Ų12574.3 Ų74.365%0.65444%0.44SS*.EExtended strand (participates in β ladder)trans-93.2139.8172.8-67.1168.9000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.44Å; I14-L17 PolarHBondContact N-O 3.35Å; I14-L17 PolarHBondContact O-N 2.94Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.41Å; L17-A19 PolarHBondContact O-N 3.49Å
18P85.1Confident84.9Confident78 Ų7875.1 Ų75.151%0.50644%0.441SS..EExtended strand (participates in β ladder)trans-71.1100.1177.729.1-33.4000110.5A20 V21P18-A20 PolarHBondContact O-N 2.99Å; P18-V21 HydrophobicContact CB-CG2 4.44Å; P18-V21 HydrophobicContact CG-CG2 4.19Å; P18-V21 PolarHBondContact O-N 3.24Å
19A85.5Confident85.4Confident19 Ų1978.9 Ų78.916%0.15746%0.456CS..THydrogen-bonded Turntrans-67.1-17.9177.300000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.32Å; P12-A19 WeakPolarHBondContact O-CB 3.29Å; P12-A19 PolarHBondContact O-N 3Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.94Å; L17-A19 PolarHBondContact O-N 3.49Å; A19-V21 PolarHBondContact O-N 3.49Å; A19-L22 WeakPolarHBondContact O-CB 3.34Å; A19-L22 PolarHBondContact O-N 3.43Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 2.99Å
20A85.1Confident85.6Confident20 Ų2081.8 Ų81.817%0.16547%0.472CS..Hα-helixtrans-53.4-33.3173.400000113.3P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.99Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.06Å; A20-I23 PolarHBondContact O-N 2.85Å; A20-I24 WeakPolarHBondContact O-CD1 3.45Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.32Å; A20-I24 PolarHBondContact O-N 3.1Å; A20-F92 HydrophobicContact CB-CE1 4.29Å
21V85.1Confident85.8Confident83 Ų8378.5 Ų78.550%0.50346%0.455SS..Hα-helixtrans-63.5-41.7178.5179.70000111.3P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.44Å; P18-V21 HydrophobicContact CG-CG2 4.19Å; P18-V21 PolarHBondContact O-N 3.24Å; A19-V21 PolarHBondContact O-N 3.49Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.19Å; V21-I24 PolarHBondContact O-N 2.95Å; V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.11Å; V21-L25 PolarHBondContact O-N 3.29Å; V21-L25 VanDerWaalsContact O-N 3.09Å
22L85.9Confident85.9Confident128 Ų12878.7 Ų78.767%0.6745%0.452SS*.Hα-helixtrans-66.1-39178.9-167.3149.7000110.9A19 A20 L25 F26A19-L22 WeakPolarHBondContact O-CB 3.34Å; A19-L22 PolarHBondContact O-N 3.43Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.06Å; L22-L25 PolarHBondContact O-N 3.46Å; L22-F26 PolarHBondContact O-N 2.95Å
23I87.4Confident86.1Confident52 Ų5283.4 Ų83.427%0.26748%0.48SS..Hα-helixtrans-65.5-41.4177.1-59.5171.7000110.8P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.72Å; A19-I23 PolarHBondContact O-N 2.99Å; A20-I23 PolarHBondContact O-N 2.85Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.19Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 2.97Å; I23-F26 WeakPolarHBondContact O-CB 3.43Å; I23-F26 PolarHBondContact O-N 2.95Å; I23-P27 WeakPolarHBondContact O-CD 3.3Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.9Å; I23-F92 HydrophobicContact CD1-CG 4.35Å; I23-F92 WeakPolarHBondContact CG2-O 3.22Å
24I87.8Confident86.2Confident52 Ų5280.6 Ų80.627%0.26747%0.465SS..Hα-helixtrans-65.7-31.6177-68.5163.7000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 3.45Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.32Å; A20-I24 PolarHBondContact O-N 3.1Å; V21-I24 PolarHBondContact O-N 2.95Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.45Å; I24-F78 HydrophobicContact CG2-CZ 4.36Å; I24-P94 HydrophobicContact CD1-CB 4.27Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 4.06Å; I24-M100 HydrophobicContact CG2-CE 4.37Å
25L86.9Confident86.1Confident117 Ų11785.7 Ų85.761%0.61348%0.483SS*.Hα-helixtrans-81.4-10.2178-72171.4000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.11Å; V21-L25 PolarHBondContact O-N 3.29Å; V21-L25 VanDerWaalsContact O-N 3.09Å; L22-L25 PolarHBondContact O-N 3.46Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 2.97Å; L25-P28 WeakPolarHBondContact O-CD 2.94Å
26F88.4Confident86.2Confident90 Ų9086.1 Ų86.140%0.39547%0.473SS..Hα-helixtrans-69.7-44.2-177.5-168.2-99.5000115L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 2.95Å; I23-F26 WeakPolarHBondContact O-CB 3.43Å; I23-F26 PolarHBondContact O-N 2.95Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.32Å; F26-L29 WeakPolarHBondContact O-CB 3.24Å; F26-L29 PolarHBondContact O-N 3.27Å; F26-L30 HydrophobicContact CD1-CD1 4.36Å; F26-L30 HydrophobicContact CE1-CD1 4.13Å; F26-L30 HydrophobicContact CE1-CD2 4.11Å; F26-L30 HydrophobicContact CE1-CG 4.18Å; F26-L30 HydrophobicContact CZ-CD2 4.43Å; F26-L85 HydrophobicContact CD1-CD1 4.34Å; F26-L85 HydrophobicContact CD1-CD2 3.68Å; F26-L85 HydrophobicContact CE1-CD2 3.64Å
27P88Confident86.1Confident3 Ų391.1 Ų91.12%0.01948%0.483CS..Hα-helixtrans-57.5-41.7-177.9-12.918.9000115.1I23 I24 L29 L30 T81 T82 L85I23-P27 WeakPolarHBondContact O-CD 3.3Å; I24-P27 WeakPolarHBondContact O-CD 3.45Å; P27-L29 PolarHBondContact O-N 3.25Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.45Å; P27-L30 VanDerWaalsContact O-N 3.1Å; P27-T81 WeakPolarHBondContact CB-OG1 3.46Å; P27-T82 HydrophobicContact CB-CG2 4.29Å; P27-T82 HydrophobicContact CG-CG2 3.5Å; P27-L85 HydrophobicContact CB-CD1 3.94Å; P27-L85 HydrophobicContact CG-CD1 4.02Å
28P84.4Confident86.2Confident71 Ų7192.6 Ų92.646%0.46149%0.489SS..Hα-helixtrans-56.4-31.8174-26.733.1000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 2.94Å; P28-L30 VanDerWaalsContact C-N 3.27Å; P28-L30 PolarHBondContact O-N 3.42Å; P28-I31 PolarHBondContact O-N 3.09Å
29L87.8Confident86.4Confident135 Ų13590.1 Ų90.171%0.70747%0.472SS*.Hα-helixtrans-69.1-26.2179.5-172.465.9000112.4F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.32Å; F26-L29 WeakPolarHBondContact O-CB 3.24Å; F26-L29 PolarHBondContact O-N 3.27Å; P27-L29 PolarHBondContact O-N 3.25Å; L29-I31 PolarHBondContact O-N 3.29Å
30L87Confident86.6Confident84 Ų8494.7 Ų94.744%0.4449%0.494SS..THydrogen-bonded Turntrans-73.4-6.7178-65.1174.3000113.6F26 P27 P28 P32 L85F26-L30 HydrophobicContact CD1-CD1 4.36Å; F26-L30 HydrophobicContact CE1-CD1 4.13Å; F26-L30 HydrophobicContact CE1-CD2 4.11Å; F26-L30 HydrophobicContact CE1-CG 4.18Å; F26-L30 HydrophobicContact CZ-CD2 4.43Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.45Å; P27-L30 VanDerWaalsContact O-N 3.1Å; P28-L30 VanDerWaalsContact C-N 3.27Å; P28-L30 PolarHBondContact O-N 3.42Å; L30-P32 WeakPolarHBondContact O-CD 3.26Å; L30-L85 HydrophobicContact CD1-CD1 3.46Å; L30-L85 VanDerWaalsContact CD1-CD1 3.46Å; L30-L85 HydrophobicContact CD1-CD2 4.02Å; L30-L85 HydrophobicContact CD1-CG 4Å
31I87.4Confident86.8Confident49 Ų49103.8 Ų103.825%0.25152%0.524SS..SBendtrans-108.678.9-173.9-57.8172.3000108P28 L29 I77P28-I31 PolarHBondContact O-N 3.09Å; L29-I31 PolarHBondContact O-N 3.29Å; I31-I77 HydrophobicContact CD1-CG2 3.4Å; I31-I77 HydrophobicContact CG1-CG2 4.47Å
32P86.2Confident87.1Confident54 Ų54104.3 Ų104.335%0.35152%0.523SS..  trans-66.6142.5-179.527.1-33.9000111L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.26Å; P32-L42 HydrophobicContact CG-CD2 3.75Å; P32-I43 HydrophobicContact CB-CD1 4.4Å; P32-I43 HydrophobicContact CB-CG1 4.42Å; P32-I43 HydrophobicContact CG-CD1 4.42Å; P32-I43 HydrophobicContact CG-CG1 3.95Å
33T86.8Confident87.3Confident136 Ų13699 Ų9983%0.83450%0.495SS*.  trans-108.3140170.858.30000109.4
34S86.7Confident87.5Confident41 Ų4199.6 Ų99.629%0.28750%0.502SS..  trans-123.3143.6173.9170.90000109.8Y36 N39S34-Y36 PolarHBondContact OG-N 3.28Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; S34-N39 WeakPolarHBondContact CB-OD1 3.41Å; S34-N39 PolarHBondContact OG-OD1 3.15Å
35K85.3Confident87.7Confident215 Ų215101.4 Ų101.494%0.93552%0.515SS*.  trans-85.4-14.3175.1-63.3180-179.4177.50112.6
36Y86.7Confident87.9Confident186 Ų18697.7 Ų97.773%0.72950%0.495SS*.SBendtrans-81.6152.9-175.3-59.7-73.3000112S34 N39S34-Y36 PolarHBondContact OG-N 3.28Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; Y36-N39 PolarHBondContact O-ND2 3.02Å; Y36-N39 PolarHBondContact O-OD1 3.5Å
37L80.2Confident88Confident176 Ų17698 Ų9892%0.92150%0.497SS*.SBendtrans-72-41.2176.7-172.672.9000111.5
38I86.5Confident88.2Confident156 Ų156105.8 Ų105.880%0.853%0.526SS*.SBendtrans-98.7113.4174.7-59.3169.6000107.1
39N89.6Confident88.5Confident25 Ų25106.9 Ų106.913%0.13453%0.528CS..  trans-110.1169.1-174-74.3-22.7000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.41Å; S34-N39 PolarHBondContact OG-OD1 3.15Å; Y36-N39 PolarHBondContact O-ND2 3.02Å; Y36-N39 PolarHBondContact O-OD1 3.5Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.78Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.47Å; N39-T44 HydrophobicContact CB-CG2 4.18Å; N39-Q47 PolarHBondContact ND2-NE2 3.1Å
40N89.8Confident88.7Confident116 Ų116102.9 Ų102.962%0.6251%0.506SS*.  trans-64.4154.2172.5-164.90.5000111.2L42 I43 T44N40-L42 PolarHBondContact O-N 3.07Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 PolarHBondContact O-N 3.44Å; N40-T44 PolarHBondContact O-N 3.44Å
41R89.6Confident88.9Confident210 Ų210106.1 Ų106.179%0.79252%0.517SS*.Hα-helixtrans-52.4-37.2-177.8-64.6-177.3-178.9-179.40.5113.3T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.47Å; R41-T44 PolarHBondContact O-N 3.46Å; R41-T44 PolarHBondContact O-OG1 2.87Å; R41-T45 WeakPolarHBondContact O-CG2 3.28Å; R41-T45 PolarHBondContact O-N 3.15Å; R41-T45 VanDerWaalsContact O-N 3.07Å; R41-T45 PolarHBondContact O-OG1 3.3Å
42L89.9Confident89.1Confident95 Ų95107 Ų10750%0.49752%0.522SS..Hα-helixtrans-66.9-42.5178.1-169.6156.3000111.7P32 N40 T44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.75Å; N40-L42 PolarHBondContact O-N 3.07Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T44 VanDerWaalsContact C-N 3.35Å; L42-T45 PolarHBondContact O-OG1 3.42Å; L42-Q46 VanDerWaalsContact O-CB 3.28Å; L42-Q46 WeakPolarHBondContact O-CB 3.41Å; L42-Q46 PolarHBondContact O-N 3.25Å
43I91.6Very high89.2Confident16 Ų16105.5 Ų105.58%0.08251%0.512CS..Hα-helixtrans-70.1-36.5179.5-61.2173000110P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.4Å; P32-I43 HydrophobicContact CB-CG1 4.42Å; P32-I43 HydrophobicContact CG-CD1 4.42Å; P32-I43 HydrophobicContact CG-CG1 3.95Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.78Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.47Å; N40-I43 PolarHBondContact O-N 3.44Å; I43-Q46 PolarHBondContact O-N 2.99Å; I43-Q47 HydrophobicContact CG2-CG 4.23Å; I43-Q47 WeakPolarHBondContact O-CB 3.48Å; I43-Q47 VanDerWaalsContact O-CG 3.22Å; I43-Q47 WeakPolarHBondContact O-CG 3.2Å; I43-Q47 PolarHBondContact O-N 2.87Å
44T91.5Very high89.4Confident65 Ų65100.4 Ų100.440%0.39948%0.482SS..Hα-helixtrans-68-41.6177.759.70000112.2N39 N40 R41 L42 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.18Å; N40-T44 PolarHBondContact O-N 3.44Å; R41-T44 WeakPolarHBondContact CA-OG1 3.47Å; R41-T44 PolarHBondContact O-N 3.46Å; R41-T44 PolarHBondContact O-OG1 2.87Å; L42-T44 VanDerWaalsContact C-N 3.35Å; T44-Q47 PolarHBondContact O-N 3.25Å; T44-W48 VanDerWaalsContact O-CB 3.3Å; T44-W48 WeakPolarHBondContact O-CB 3.18Å; T44-W48 PolarHBondContact O-N 2.96Å
45T91.3Very high89.5Confident89 Ų89105.6 Ų105.655%0.54650%0.499SS..Hα-helixtrans-66.3-39.9174.8560000111.7R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.28Å; R41-T45 PolarHBondContact O-N 3.15Å; R41-T45 VanDerWaalsContact O-N 3.07Å; R41-T45 PolarHBondContact O-OG1 3.3Å; L42-T45 PolarHBondContact O-OG1 3.42Å; T45-W48 PolarHBondContact O-N 3.44Å; T45-L49 WeakPolarHBondContact O-CB 3.43Å; T45-L49 PolarHBondContact O-N 2.83Å
46Q91.1Very high89.6Confident40 Ų40101.3 Ų101.319%0.18748%0.482CS..Hα-helixtrans-61.9-49.9174.6-175.1-164.7-49.400111.7L42 I43 W48 L49 I50L42-Q46 VanDerWaalsContact O-CB 3.28Å; L42-Q46 WeakPolarHBondContact O-CB 3.41Å; L42-Q46 PolarHBondContact O-N 3.25Å; I43-Q46 PolarHBondContact O-N 2.99Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.48Å; Q46-L49 PolarHBondContact O-N 3.34Å; Q46-I50 HydrophobicContact CG-CD1 3.97Å; Q46-I50 VanDerWaalsContact O-CG1 3.26Å; Q46-I50 WeakPolarHBondContact O-CG1 3.41Å; Q46-I50 PolarHBondContact O-N 2.99Å
47Q90.7Very high89.6Confident95 Ų9593 Ų9344%0.44445%0.451SS..Hα-helixtrans-60.9-38.7177.7-75.4176.1-13.300111.8N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.1Å; I43-Q47 HydrophobicContact CG2-CG 4.23Å; I43-Q47 WeakPolarHBondContact O-CB 3.48Å; I43-Q47 VanDerWaalsContact O-CG 3.22Å; I43-Q47 WeakPolarHBondContact O-CG 3.2Å; I43-Q47 PolarHBondContact O-N 2.87Å; T44-Q47 PolarHBondContact O-N 3.25Å; Q47-K51 VanDerWaalsContact O-CB 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3Å; Q47-K51 PolarHBondContact O-N 3.42Å
48W92.4Very high89.8Confident167 Ų16785.6 Ų85.663%0.63341%0.412SS*.Hα-helixtrans-62.7-45.4174.9179.783.6000111.9T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.3Å; T44-W48 WeakPolarHBondContact O-CB 3.18Å; T44-W48 PolarHBondContact O-N 2.96Å; T45-W48 PolarHBondContact O-N 3.44Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.48Å; W48-K51 PolarHBondContact O-N 3.33Å; W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.4Å; W48-L52 VanDerWaalsContact CE2-CD1 3.44Å; W48-L52 HydrophobicContact CE3-CD1 3.81Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.32Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.66Å; W48-L52 WeakPolarHBondContact O-CG 3.31Å; W48-L52 PolarHBondContact O-N 3.08Å
49L91.1Very high89.8Confident95 Ų9582.8 Ų82.850%0.49740%0.402SS..Hα-helixtrans-64.2-42.7177.8-167.1147.7000112T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.43Å; T45-L49 PolarHBondContact O-N 2.83Å; Q46-L49 PolarHBondContact O-N 3.34Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.13Å; L49-L52 PolarHBondContact O-N 2.99Å; L49-T53 HydrophobicContact CD2-CG2 4.09Å; L49-T53 WeakPolarHBondContact O-CG2 3.39Å; L49-T53 PolarHBondContact O-N 3.12Å; L49-T53 PolarHBondContact O-OG1 3.43Å
50I91.6Very high89.3Confident50 Ų5088.3 Ų88.326%0.25643%0.429SS..Hα-helixtrans-61.5-41.9174.9-66.9172.6000110.9Q46 T53 S54 V73 I77Q46-I50 HydrophobicContact CG-CD1 3.97Å; Q46-I50 VanDerWaalsContact O-CG1 3.26Å; Q46-I50 WeakPolarHBondContact O-CG1 3.41Å; Q46-I50 PolarHBondContact O-N 2.99Å; I50-T53 WeakPolarHBondContact CA-OG1 3.42Å; I50-T53 PolarHBondContact O-OG1 3.14Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; I50-S54 VanDerWaalsContact O-CB 3.3Å; I50-S54 WeakPolarHBondContact O-CB 3.2Å; I50-S54 PolarHBondContact O-N 3.28Å; I50-S54 PolarHBondContact O-OG 2.92Å; I50-V73 HydrophobicContact CG2-CG1 3.85Å; I50-I77 HydrophobicContact CD1-CD1 3.93Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å
51K91.4Very high88.9Confident152 Ų15283.1 Ų83.166%0.66140%0.401SS*.Hα-helixtrans-66.3-39.2178.8-174.3176.2-179.9178.10112Q47 W48 L49 S54 K55Q47-K51 VanDerWaalsContact O-CB 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3Å; Q47-K51 PolarHBondContact O-N 3.42Å; W48-K51 PolarHBondContact O-N 3.33Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.13Å; K51-S54 WeakPolarHBondContact CA-OG 3.33Å; K51-S54 PolarHBondContact O-OG 3.34Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; K51-K55 VanDerWaalsContact O-CB 3.22Å; K51-K55 WeakPolarHBondContact O-CB 3.32Å; K51-K55 PolarHBondContact O-N 3.15Å
52L91.6Very high88.5Confident68 Ų6878.6 Ų78.636%0.35639%0.392SS..Hα-helixtrans-68-49.9178.1-75.5178000112.1W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.4Å; W48-L52 VanDerWaalsContact CE2-CD1 3.44Å; W48-L52 HydrophobicContact CE3-CD1 3.81Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.32Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.66Å; W48-L52 WeakPolarHBondContact O-CG 3.31Å; W48-L52 PolarHBondContact O-N 3.08Å; L49-L52 PolarHBondContact O-N 2.99Å; L52-K55 PolarHBondContact O-N 3.27Å; L52-Q56 WeakPolarHBondContact O-CG 3.29Å; L52-Q56 PolarHBondContact O-N 2.78Å
53T88.7Confident88.1Confident23 Ų2379 Ų7914%0.14140%0.398CS..Hα-helixtrans-61.4-47.218049.60000111.6L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.09Å; L49-T53 WeakPolarHBondContact O-CG2 3.39Å; L49-T53 PolarHBondContact O-N 3.12Å; L49-T53 PolarHBondContact O-OG1 3.43Å; I50-T53 WeakPolarHBondContact CA-OG1 3.42Å; I50-T53 PolarHBondContact O-OG1 3.14Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-K55 PolarHBondContact O-N 3.22Å; T53-Q56 PolarHBondContact O-N 3.11Å; T53-M57 WeakPolarHBondContact O-CG 3.3Å; T53-M57 PolarHBondContact O-N 3.22Å
54S89.7Confident87.5Confident29 Ų2984 Ų8420%0.20342%0.42CS..Hα-helixtrans-61.2-41.9175.457.40000112.4I50 K51 M58I50-S54 VanDerWaalsContact O-CB 3.3Å; I50-S54 WeakPolarHBondContact O-CB 3.2Å; I50-S54 PolarHBondContact O-N 3.28Å; I50-S54 PolarHBondContact O-OG 2.92Å; K51-S54 WeakPolarHBondContact CA-OG 3.33Å; K51-S54 PolarHBondContact O-OG 3.34Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; S54-M58 WeakPolarHBondContact O-CB 3.36Å; S54-M58 WeakPolarHBondContact O-CG 3.41Å; S54-M58 PolarHBondContact O-N 3.11Å
55K89.7Confident86.9Confident150 Ų15081 Ų8165%0.65240%0.401SS*.Hα-helixtrans-61.9-45.6177-174.5179.5178.3-175.30111.6K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.22Å; K51-K55 WeakPolarHBondContact O-CB 3.32Å; K51-K55 PolarHBondContact O-N 3.15Å; L52-K55 PolarHBondContact O-N 3.27Å; T53-K55 PolarHBondContact O-N 3.22Å; K55-T59 WeakPolarHBondContact O-CG2 3.39Å; K55-T59 PolarHBondContact O-N 2.83Å
56Q87.3Confident86.6Confident124 Ų12483.3 Ų83.358%0.57940%0.4SS*.Hα-helixtrans-68.9-39.2-178.6-74.2179.8-30.100113L52 T53 T59L52-Q56 WeakPolarHBondContact O-CG 3.29Å; L52-Q56 PolarHBondContact O-N 2.78Å; T53-Q56 PolarHBondContact O-N 3.11Å; Q56-T59 PolarHBondContact O-OG1 3.12Å
57M85.3Confident86.4Confident13 Ų1386.2 Ų86.26%0.06442%0.42CS..Hα-helixtrans-72.6-38.5178.3-70.4-176.6168.400112.2T53 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.3Å; T53-M57 PolarHBondContact O-N 3.22Å; M57-T59 VanDerWaalsContact C-N 3.34Å; M57-T59 PolarHBondContact O-N 3.4Å; M57-H61 PolarHBondContact O-ND1 3.41Å; M57-L72 HydrophobicContact SD-CB 4.36Å; M57-I76 HydrophobicContact CE-CB 4.5Å; M57-I76 HydrophobicContact CE-CD1 3.66Å; M57-Y212 HydrophobicContact CE-CD2 4.47Å; M57-T215 WeakPolarHBondContact CE-OG1 3.35Å
58M86Confident86.2Confident20 Ų2083.8 Ų83.810%0.09941%0.407CS..Hα-helixtrans-80.8-11.1-173.7-65.9-59.3111.100114.2S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.36Å; S54-M58 WeakPolarHBondContact O-CG 3.41Å; S54-M58 PolarHBondContact O-N 3.11Å; M58-M60 PolarHBondContact O-N 2.76Å; M58-H61 PolarHBondContact O-N 2.93Å; M58-R66 HydrophobicContact SD-CB 4.33Å; M58-R66 HydrophobicContact SD-CG 4.04Å; M58-S69 VanDerWaalsContact SD-CB 3.52Å; M58-L72 HydrophobicContact CE-CD1 3.72Å
59T85.6Confident86Confident97 Ų9777.3 Ų77.360%0.59539%0.387SS*.THydrogen-bonded Turntrans-63-33.1174.752.50000112.1K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.39Å; K55-T59 PolarHBondContact O-N 2.83Å; Q56-T59 PolarHBondContact O-OG1 3.12Å; M57-T59 VanDerWaalsContact C-N 3.34Å; M57-T59 PolarHBondContact O-N 3.4Å; T59-H61 VanDerWaalsContact C-N 3.33Å
60M78.6Confident86Confident141 Ų14179.8 Ų79.870%0.69540%0.4SS*.THydrogen-bonded Turntrans-82.4-10.4-178.9-50.2-146.391.200113.1M58 H223M58-M60 PolarHBondContact O-N 2.76Å; M60-H223 PolarHBondContact O-CE1 3.4Å; M60-H223 PolarHBondContact O-ND1 3.32Å
61H83Confident85.9Confident7 Ų780.6 Ų80.63%0.03240%0.403CS..  trans-105.6140.4-170-6976.5000113.3M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.41Å; M58-H61 PolarHBondContact O-N 2.93Å; T59-H61 VanDerWaalsContact C-N 3.33Å; H61-R66 HydrophobicContact CB-CG 4.34Å; H61-R66 PolarHBondContact O-NE 3.43Å; H61-S219 PolarHBondContact NE2-O 2.94Å
62N81Confident85.9Confident115 Ų11573.4 Ų73.462%0.61537%0.372SS*.  trans-76.9173171.3-151.8-5.6000111.6K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.12Å; N62-K64 VanDerWaalsContact O-N 3.16Å; N62-G65 PolarHBondContact O-N 3.47Å; N62-R66 PolarHBondContact O-N 2.92Å
63T80.9Confident85.9Confident103 Ų10370.9 Ų70.963%0.63236%0.36SS*.THydrogen-bonded Turntrans-53.9-38.2-173.255.10000114.5
64K79.7Confident86Confident122 Ų12272.9 Ų72.953%0.5338%0.375SS..THydrogen-bonded Turntrans-68.1-44.8175-70.3-177.6-179.1176.30112.1N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.12Å; N62-K64 VanDerWaalsContact O-N 3.16Å; K64-R66 VanDerWaalsContact C-N 3.26Å; K64-R66 PolarHBondContact O-N 3.19Å; K64-T67 WeakPolarHBondContact O-CB 3.37Å; K64-T67 PolarHBondContact O-N 3.44Å; K64-T67 PolarHBondContact O-OG1 3.46Å
65G79Confident86.1Confident0 Ų072.4 Ų72.40%037%0.37CS..G310 helixtrans-63.2-31.7177.600000112.8N62 T67 W68N62-G65 PolarHBondContact O-N 3.47Å; G65-T67 PolarHBondContact O-N 3.39Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 PolarHBondContact O-N 3.09Å; G65-W68 VanDerWaalsContact O-N 3.08Å
66R84.1Confident86.1Confident139 Ų13966.1 Ų66.153%0.52534%0.343SS..G310 helixtrans-63.3-19.8176.4-70.6-179.5-175.2-174.80.5114.2M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact SD-CB 4.33Å; M58-R66 HydrophobicContact SD-CG 4.04Å; H61-R66 HydrophobicContact CB-CG 4.34Å; H61-R66 PolarHBondContact O-NE 3.43Å; N62-R66 PolarHBondContact O-N 2.92Å; K64-R66 VanDerWaalsContact C-N 3.26Å; K64-R66 PolarHBondContact O-N 3.19Å; R66-W68 PolarHBondContact O-N 3.37Å; R66-S69 WeakPolarHBondContact O-CB 3.34Å; R66-S69 PolarHBondContact O-N 3.38Å; R66-S69 VanDerWaalsContact O-N 3.13Å
67T86.7Confident86.3Confident100 Ų10061.8 Ų61.861%0.61332%0.324SS*.G310 helixtrans-64.1-24.6174.763.70000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.37Å; K64-T67 PolarHBondContact O-N 3.44Å; K64-T67 PolarHBondContact O-OG1 3.46Å; G65-T67 PolarHBondContact O-N 3.39Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.31Å
68W87Confident86.6Confident45 Ų4563.5 Ų63.517%0.1733%0.331CS..G310 helixtrans-86.61.5177.4-74.548.1000113.7G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 3.09Å; G65-W68 VanDerWaalsContact O-N 3.08Å; R66-W68 PolarHBondContact O-N 3.37Å; W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 2.93Å; W68-M71 HydrophobicContact CD2-CE 3.61Å; W68-M71 HydrophobicContact CE3-CE 2.95Å; W68-M71 HydrophobicContact CG-CE 4.46Å; W68-M71 HydrophobicContact CH2-CE 3.68Å; W68-M71 HydrophobicContact CZ2-CE 4.27Å; W68-M71 HydrophobicContact CZ3-CE 3Å; W68-M71 PolarHBondContact O-N 2.89Å; W68-L72 PolarHBondContact O-N 3.48Å; W68-M115 HydrophobicContact CZ2-SD 3.92Å; W68-M115 PolarHBondContact NE1-SD 3.19Å; W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.64Å; W68-L222 HydrophobicContact CD2-CD2 3.91Å; W68-L222 HydrophobicContact CD2-CG 4.44Å; W68-L222 HydrophobicContact CE3-CD1 3.74Å; W68-L222 HydrophobicContact CE3-CD2 4.09Å; W68-L222 HydrophobicContact CE3-CG 4.48Å; W68-L222 HydrophobicContact CG-CD1 4.06Å; W68-L222 HydrophobicContact CG-CD2 3.61Å; W68-L222 HydrophobicContact CZ2-CD1 4.38Å; W68-L222 HydrophobicContact CZ3-CD1 4.18Å
69S87.7Confident86.8Confident30 Ų3062.5 Ų62.521%0.2133%0.326CS..Hα-helixtrans-52.1-46.4-178.8-178.40000112.6M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.52Å; R66-S69 WeakPolarHBondContact O-CB 3.34Å; R66-S69 PolarHBondContact O-N 3.38Å; R66-S69 VanDerWaalsContact O-N 3.13Å; T67-S69 VanDerWaalsContact C-N 3.31Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.35Å; S69-L72 PolarHBondContact O-N 3.28Å; S69-V73 WeakPolarHBondContact O-CB 3.4Å; S69-V73 VanDerWaalsContact O-CG2 3.23Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.1Å
70L90.9Very high87Confident148 Ų14859.2 Ų59.278%0.77531%0.309SS*.Hα-helixtrans-59.1-41.4179.9-168.791.8000111.7W68 S74W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 2.93Å; L70-S74 WeakPolarHBondContact O-CB 3.32Å; L70-S74 PolarHBondContact O-N 3.29Å; L70-S74 PolarHBondContact O-OG 3.17Å
71M91.1Very high87.6Confident66 Ų6654.1 Ų54.133%0.32529%0.285SS..Hα-helixtrans-69.8-45-179.1-173.4162.16500111.5W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.61Å; W68-M71 HydrophobicContact CE3-CE 2.95Å; W68-M71 HydrophobicContact CG-CE 4.46Å; W68-M71 HydrophobicContact CH2-CE 3.68Å; W68-M71 HydrophobicContact CZ2-CE 4.27Å; W68-M71 HydrophobicContact CZ3-CE 3Å; W68-M71 PolarHBondContact O-N 2.89Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.35Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.34Å; M71-S74 WeakPolarHBondContact CA-OG 3.18Å; M71-S74 PolarHBondContact O-N 2.65Å; M71-S74 PolarHBondContact O-OG 3.34Å; M71-L75 VanDerWaalsContact O-CB 3.23Å; M71-L75 WeakPolarHBondContact O-CB 3.33Å; M71-L75 PolarHBondContact O-N 2.94Å; M71-L108 HydrophobicContact CE-CD2 3.71Å; M71-L108 HydrophobicContact CG-CD2 4.01Å; M71-L108 HydrophobicContact SD-CD2 3.57Å; M71-L108 VanDerWaalsContact SD-CD2 3.57Å
72L90.4Very high88Confident2 Ų254 Ų541%0.0129%0.285CS..Hα-helixtrans-63.6-40.9178.6-69.5169.6000112M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.36Å; M58-L72 HydrophobicContact CE-CD1 3.72Å; W68-L72 PolarHBondContact O-N 3.48Å; S69-L72 PolarHBondContact O-N 3.28Å; L72-L75 PolarHBondContact O-N 3.36Å; L72-I76 PolarHBondContact O-N 3.18Å; L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.89Å
73V91.3Very high88.4Confident15 Ų1548.6 Ų48.69%0.09126%0.256CS..Hα-helixtrans-69-43.1178.4172.70000111.6I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.85Å; S69-V73 WeakPolarHBondContact O-CB 3.4Å; S69-V73 VanDerWaalsContact O-CG2 3.23Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.1Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.34Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.23Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.21Å; V73-I77 HydrophobicContact CG1-CD1 3.81Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.44Å; V73-I77 WeakPolarHBondContact O-CG1 3.47Å; V73-I77 PolarHBondContact O-N 3.08Å
74S91.4Very high88.8Confident65 Ų6548.6 Ų48.646%0.45525%0.252SS..Hα-helixtrans-64.2-37.7175.452.90000111.7L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.32Å; L70-S74 PolarHBondContact O-N 3.29Å; L70-S74 PolarHBondContact O-OG 3.17Å; M71-S74 WeakPolarHBondContact CA-OG 3.18Å; M71-S74 PolarHBondContact O-N 2.65Å; M71-S74 PolarHBondContact O-OG 3.34Å; S74-F78 VanDerWaalsContact O-CB 3.29Å; S74-F78 WeakPolarHBondContact O-CB 3.41Å; S74-F78 PolarHBondContact O-N 3Å
75L90.7Very high89.3Confident19 Ų1944.5 Ų44.510%0.09924%0.235CC..Hα-helixtrans-64-48.4178.3-166.489.3000112.8M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.23Å; M71-L75 WeakPolarHBondContact O-CB 3.33Å; M71-L75 PolarHBondContact O-N 2.94Å; L72-L75 PolarHBondContact O-N 3.36Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.23Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 3.02Å; L75-F78 PolarHBondContact O-N 3.16Å; L75-I79 HydrophobicContact CD1-CD1 4.43Å; L75-I79 HydrophobicContact CD2-CD1 4.12Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 WeakPolarHBondContact O-CG1 3.42Å; L75-I79 PolarHBondContact O-N 3.39Å; L75-L108 HydrophobicContact CD1-CD1 3.43Å; L75-L108 VanDerWaalsContact CD1-CD1 3.43Å; L75-L108 HydrophobicContact CD2-CD1 3.84Å; L75-L108 HydrophobicContact CG-CD1 4.29Å; L75-F214 HydrophobicContact CD2-CD1 3.64Å; L75-F214 HydrophobicContact CD2-CE1 3.62Å; L75-F214 HydrophobicContact CG-CE1 4.5Å; L75-T215 HydrophobicContact CB-CG2 4.31Å; L75-T215 HydrophobicContact CD2-CG2 3.64Å; L75-T215 HydrophobicContact CG-CG2 4.19Å
76I91.3Very high89.6Confident17 Ų1744.5 Ų44.59%0.08724%0.236CC..Hα-helixtrans-62.6-41.1-179.3-169.3168.5000110.9M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.5Å; M57-I76 HydrophobicContact CE-CD1 3.66Å; L72-I76 PolarHBondContact O-N 3.18Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.21Å; I76-A80 WeakPolarHBondContact O-CB 3.45Å; I76-A80 PolarHBondContact O-N 3.13Å; I76-A211 HydrophobicContact CG1-CB 4.48Å; I76-Y212 HydrophobicContact CD1-CD2 4.16Å; I76-T215 VanDerWaalsContact CA-CG2 3.45Å; I76-T215 HydrophobicContact CB-CG2 3.45Å; I76-T215 VanDerWaalsContact CB-CG2 3.45Å; I76-T215 HydrophobicContact CG1-CG2 4Å
77I91.4Very high89.7Confident34 Ų3439.8 Ų39.817%0.17422%0.221CC..Hα-helixtrans-66.8-42.8178.8-62.7164.3000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.4Å; I31-I77 HydrophobicContact CG1-CG2 4.47Å; I50-I77 HydrophobicContact CD1-CD1 3.93Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å; V73-I77 HydrophobicContact CG1-CD1 3.81Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.44Å; V73-I77 WeakPolarHBondContact O-CG1 3.47Å; V73-I77 PolarHBondContact O-N 3.08Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 3.02Å; I77-T81 HydrophobicContact CG2-CG2 4.25Å; I77-T81 WeakPolarHBondContact O-CB 3.3Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.49Å; I77-T81 PolarHBondContact O-N 3.06Å; I77-T81 PolarHBondContact O-OG1 3.43Å
78F90.8Very high89.7Confident48 Ų4839.5 Ų39.521%0.21122%0.215CC..Hα-helixtrans-60.3-54178-179.9-103.1000111.5I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.36Å; S74-F78 VanDerWaalsContact O-CB 3.29Å; S74-F78 WeakPolarHBondContact O-CB 3.41Å; S74-F78 PolarHBondContact O-N 3Å; L75-F78 PolarHBondContact O-N 3.16Å; F78-A80 PolarHBondContact O-N 3.28Å; F78-T81 PolarHBondContact O-N 2.8Å; F78-T81 PolarHBondContact O-OG1 2.99Å; F78-T82 HydrophobicContact CD2-CG2 4.34Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.96Å; F78-T82 HydrophobicContact CZ-CG2 3.88Å; F78-T82 WeakPolarHBondContact O-CG2 3.43Å; F78-T82 PolarHBondContact O-N 2.93Å; F78-T82 PolarHBondContact O-OG1 3.36Å; F78-T82 VanDerWaalsContact O-OG1 3.06Å; F78-M100 HydrophobicContact CE1-CE 3.83Å; F78-M100 HydrophobicContact CZ-CE 3.8Å; F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.31Å; F78-M104 HydrophobicContact CE1-SD 3.59Å; F78-M104 VanDerWaalsContact CE1-SD 3.59Å
79I90.8Very high89.5Confident0 Ų042.8 Ų42.80%024%0.242CC..Hα-helixtrans-64.5-42.7-178.1-60.2168.5000111L75 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.43Å; L75-I79 HydrophobicContact CD2-CD1 4.12Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 WeakPolarHBondContact O-CG1 3.42Å; L75-I79 PolarHBondContact O-N 3.39Å; I79-T82 WeakPolarHBondContact CA-OG1 3.08Å; I79-T82 PolarHBondContact O-OG1 3.18Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.34Å; I79-N83 WeakPolarHBondContact O-CB 3.17Å; I79-N83 PolarHBondContact O-N 2.98Å; I79-N83 PolarHBondContact O-ND2 3.07Å; I79-N83 PolarHBondContact O-OD1 2.89Å; I79-L160 HydrophobicContact CG2-CD1 4.06Å; I79-L160 HydrophobicContact CG2-CD2 4.18Å; I79-A211 HydrophobicContact CB-CB 4.06Å; I79-A211 HydrophobicContact CG2-CB 3.77Å; I79-F214 HydrophobicContact CD1-CB 4.23Å; I79-F214 HydrophobicContact CD1-CD1 3.52Å; I79-F214 HydrophobicContact CD1-CD2 4.31Å; I79-F214 HydrophobicContact CD1-CE1 3.92Å; I79-F214 HydrophobicContact CD1-CG 3.76Å; I79-F214 HydrophobicContact CD1-CZ 4.44Å
80A90.3Very high89.2Confident28 Ų2851.2 Ų51.223%0.23128%0.278CS..Hα-helixtrans-63.1-44.3179.600000111.7I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.45Å; I76-A80 PolarHBondContact O-N 3.13Å; F78-A80 PolarHBondContact O-N 3.28Å; A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.34Å; A80-L84 PolarHBondContact O-N 2.93Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T90.8Very high88.8Confident33 Ų3345.9 Ų45.920%0.20225%0.253CS..Hα-helixtrans-68.2-44.7179.252.80000111.7P27 I77 F78 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.46Å; I77-T81 HydrophobicContact CG2-CG2 4.25Å; I77-T81 WeakPolarHBondContact O-CB 3.3Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.49Å; I77-T81 PolarHBondContact O-N 3.06Å; I77-T81 PolarHBondContact O-OG1 3.43Å; F78-T81 PolarHBondContact O-N 2.8Å; F78-T81 PolarHBondContact O-OG1 2.99Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 2.9Å; T81-L84 PolarHBondContact O-N 3.33Å; T81-L85 VanDerWaalsContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CB 3.48Å; T81-L85 WeakPolarHBondContact O-CD1 3.42Å; T81-L85 WeakPolarHBondContact O-CG 3.5Å; T81-L85 PolarHBondContact O-N 2.97Å
82T90.3Very high88.4Confident5 Ų544 Ų443%0.03124%0.243CC..Hα-helixtrans-61.3-40.2177.152.50000112.7P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.29Å; P27-T82 HydrophobicContact CG-CG2 3.5Å; F78-T82 HydrophobicContact CD2-CG2 4.34Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.96Å; F78-T82 HydrophobicContact CZ-CG2 3.88Å; F78-T82 WeakPolarHBondContact O-CG2 3.43Å; F78-T82 PolarHBondContact O-N 2.93Å; F78-T82 PolarHBondContact O-OG1 3.36Å; F78-T82 VanDerWaalsContact O-OG1 3.06Å; I79-T82 WeakPolarHBondContact CA-OG1 3.08Å; I79-T82 PolarHBondContact O-OG1 3.18Å; T82-G86 PolarHBondContact O-N 3.33Å; T82-G86 VanDerWaalsContact O-N 3.08Å
83N90.8Very high88Confident2 Ų244.1 Ų44.11%0.01124%0.244CC..Hα-helixtrans-70.5-40.8-180-66.9-10000111.4I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.34Å; I79-N83 WeakPolarHBondContact O-CB 3.17Å; I79-N83 PolarHBondContact O-N 2.98Å; I79-N83 PolarHBondContact O-ND2 3.07Å; I79-N83 PolarHBondContact O-OD1 2.89Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 2.9Å; N83-G86 WeakPolarHBondContact O-CA 3.39Å; N83-G86 PolarHBondContact O-N 3.31Å; N83-G86 VanDerWaalsContact O-N 3.1Å; N83-L87 PolarHBondContact O-N 3.32Å; N83-T95 WeakPolarHBondContact OD1-CB 3.35Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.43Å; N83-T95 PolarHBondContact OD1-OG1 2.94Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.02Å; N83-I164 HydrophobicContact CB-CD1 4.29Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.5Å; N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 3.19Å
84L89.4Confident87.6Confident102 Ų10243.8 Ų43.853%0.53424%0.242SC..Hα-helixtrans-71.5-40.7-178.4-165.1142.8000112.3A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.34Å; A80-L84 PolarHBondContact O-N 2.93Å; T81-L84 PolarHBondContact O-N 3.33Å; L84-G86 PolarHBondContact O-N 3.08Å; L84-L87 PolarHBondContact O-N 3.46Å
85L89.2Confident87.3Confident36 Ų3640.8 Ų40.819%0.18822%0.221CC..Hα-helixtrans-57.4-31167.2-87.2144.6000112.1F26 P27 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.34Å; F26-L85 HydrophobicContact CD1-CD2 3.68Å; F26-L85 HydrophobicContact CE1-CD2 3.64Å; P27-L85 HydrophobicContact CB-CD1 3.94Å; P27-L85 HydrophobicContact CG-CD1 4.02Å; L30-L85 HydrophobicContact CD1-CD1 3.46Å; L30-L85 VanDerWaalsContact CD1-CD1 3.46Å; L30-L85 HydrophobicContact CD1-CD2 4.02Å; L30-L85 HydrophobicContact CD1-CG 4Å; T81-L85 VanDerWaalsContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CB 3.48Å; T81-L85 WeakPolarHBondContact O-CD1 3.42Å; T81-L85 WeakPolarHBondContact O-CG 3.5Å; T81-L85 PolarHBondContact O-N 2.97Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.48Å; L85-L88 HydrophobicContact CD2-CD1 4.21Å; L85-L88 WeakPolarHBondContact O-CB 3.2Å; L85-L88 WeakPolarHBondContact O-CG 3.28Å; L85-L88 PolarHBondContact O-N 3.01Å; L85-S91 PolarHBondContact O-OG 2.8Å
86G85.4Confident87.1Confident1 Ų140.3 Ų40.31%0.0122%0.219CC..Hα-helixtrans-64-31.6178.600000116.4T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.33Å; T82-G86 VanDerWaalsContact O-N 3.08Å; N83-G86 WeakPolarHBondContact O-CA 3.39Å; N83-G86 PolarHBondContact O-N 3.31Å; N83-G86 VanDerWaalsContact O-N 3.1Å; L84-G86 PolarHBondContact O-N 3.08Å; G86-L88 PolarHBondContact O-N 3.17Å; G86-S91 PolarHBondContact O-OG 3.42Å; G86-H168 PolarHBondContact O-CE1 2.94Å; G86-H168 PolarHBondContact O-NE2 3.23Å
87L86.3Confident86.9Confident40 Ų4042.6 Ų42.621%0.20923%0.229CC..THydrogen-bonded Turntrans-78.6-4.7-179.2-60.2175.4000112.9N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.32Å; L84-L87 PolarHBondContact O-N 3.46Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.48Å; L87-M171 HydrophobicContact CD2-CE 4.03Å; L87-E203 HydrophobicContact CD1-CG 4.4Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.39Å; L87-I204 HydrophobicContact CD1-CB 4.19Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L87.1Confident86.7Confident94 Ų9444.2 Ų44.249%0.49224%0.238SC..SBendtrans-65.9145.7174.3-65.6173.8000110.7L85 G86 H90 S91L85-L88 HydrophobicContact CD2-CD1 4.21Å; L85-L88 WeakPolarHBondContact O-CB 3.2Å; L85-L88 WeakPolarHBondContact O-CG 3.28Å; L85-L88 PolarHBondContact O-N 3.01Å; G86-L88 PolarHBondContact O-N 3.17Å; L88-H90 PolarHBondContact O-N 3.09Å; L88-S91 PolarHBondContact O-N 2.95Å; L88-S91 PolarHBondContact O-OG 3.34Å; L88-S91 VanDerWaalsContact O-OG 3.06Å
89P81.6Confident86.6Confident114 Ų11446 Ų4674%0.7426%0.256SS*.THydrogen-bonded Turntrans-59.9132.1179.325-33.6000110.6S91P89-S91 PolarHBondContact O-N 3.33Å; P89-S91 VanDerWaalsContact O-N 3.16Å
90H81.3Confident86.4Confident206 Ų20647.9 Ų47.995%0.95427%0.265SS*.THydrogen-bonded Turntrans5916.6-179.9-56.2-53.4000116.1L88L88-H90 PolarHBondContact O-N 3.09Å
91S83.5Confident86.3Confident37 Ų3746.5 Ų46.526%0.25925%0.254SS..  trans-79.6142170.869.80000111L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.8Å; G86-S91 PolarHBondContact O-OG 3.42Å; L88-S91 PolarHBondContact O-N 2.95Å; L88-S91 PolarHBondContact O-OG 3.34Å; L88-S91 VanDerWaalsContact O-OG 3.06Å; P89-S91 PolarHBondContact O-N 3.33Å; P89-S91 VanDerWaalsContact O-N 3.16Å
92F82Confident86.1Confident27 Ų2747.2 Ų47.212%0.11826%0.256CS..  trans-87123170.8171.3-94.6000109.1S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.5Å; A11-F92 HydrophobicContact CB-CZ 4.45Å; P12-F92 HydrophobicContact CG-CB 4.36Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.08Å; A20-F92 HydrophobicContact CB-CE1 4.29Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.9Å; I23-F92 HydrophobicContact CD1-CG 4.35Å; I23-F92 WeakPolarHBondContact CG2-O 3.22Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.43Å; F92-Q97 HydrophobicContact CZ-CG 4.16Å
93T83.5Confident86Confident3 Ų350 Ų502%0.01828%0.28CS..  trans-92.5111.1178.528.50000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.44Å; T93-T96 PolarHBondContact O-N 3.17Å; T93-T96 PolarHBondContact O-OG1 3.3Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.26Å; T93-I164 HydrophobicContact CG2-CG2 4.35Å
94P82.4Confident85.8Confident9 Ų951.2 Ų51.26%0.05829%0.286CS..G310 helixtrans-63.7-2417726-33.6000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.27Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 4.06Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.37Å; P94-Q97 PolarHBondContact O-N 3.45Å; P94-M100 HydrophobicContact CB-CG 4.46Å; P94-M100 WeakPolarHBondContact O-CB 3.36Å
95T85Confident85.7Confident1 Ų146.4 Ų46.41%0.00626%0.261CS..G310 helixtrans-75.5-7.217951.20000114.4N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.35Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.43Å; N83-T95 PolarHBondContact OD1-OG1 2.94Å; T93-T95 PolarHBondContact O-N 3.44Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.05Å; T95-L160 HydrophobicContact CG2-CD2 4.44Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.17Å
96T85.3Confident85.6Confident10 Ų1048.5 Ų48.56%0.06127%0.272CS..G310 helixtrans-74.7-26.3169.656.70000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.87Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; T93-T96 PolarHBondContact O-N 3.17Å; T93-T96 PolarHBondContact O-OG1 3.3Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.26Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.37Å; T96-L98 PolarHBondContact O-N 2.94Å; T96-T161 WeakPolarHBondContact O-CG2 3.34Å; T96-I164 HydrophobicContact CG2-CB 4.39Å; T96-I164 HydrophobicContact CG2-CG2 3.67Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å
97Q88.7Confident85.8Confident65 Ų6552.4 Ų52.430%0.30430%0.297SS..SBendtrans-78.5120.4178.6-65.5-63.3-30.800109.8F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 2.83Å; F92-Q97 HydrophobicContact CZ-CG 4.16Å; P94-Q97 PolarHBondContact O-N 3.45Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 2.95Å; Q97-M100 PolarHBondContact O-N 3.04Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.45Å
98L86.4Confident85.9Confident67 Ų6751.2 Ų51.235%0.35129%0.291SS..Hα-helixtrans-57.8-33.4178.4-176.964.4000112T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 2.94Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.26Å; L98-N101 PolarHBondContact O-N 3.32Å; L98-L102 WeakPolarHBondContact O-CB 3.23Å; L98-L102 PolarHBondContact O-N 3.13Å; L98-M154 HydrophobicContact CD2-CE 4.12Å; L98-A157 HydrophobicContact CD1-CB 4.36Å; L98-V158 HydrophobicContact CD1-CG2 3.9Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å
99S88.1Confident85.8Confident85 Ų8548.6 Ų48.659%0.59427%0.274SS*.Hα-helixtrans-56.4-43.9176.356.10000112.6Q97 A103Q97-S99 PolarHBondContact O-N 2.95Å; S99-A103 WeakPolarHBondContact O-CB 3.38Å; S99-A103 PolarHBondContact O-N 3.32Å
100M87.3Confident86Confident40 Ų4044.4 Ų44.420%0.19725%0.25CC..Hα-helixtrans-67.7-46.5-178.6-175.855.3-172.600111.2I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CG2-CE 4.37Å; F78-M100 HydrophobicContact CE1-CE 3.83Å; F78-M100 HydrophobicContact CZ-CE 3.8Å; P94-M100 HydrophobicContact CB-CG 4.46Å; P94-M100 WeakPolarHBondContact O-CB 3.36Å; Q97-M100 PolarHBondContact O-N 3.04Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.26Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 3.15Å; M100-A103 PolarHBondContact O-N 2.87Å; M100-M104 HydrophobicContact CE-CE 3.87Å; M100-M104 HydrophobicContact CE-CG 4.44Å; M100-M104 HydrophobicContact CE-SD 4.06Å; M100-M104 HydrophobicContact CG-CE 3.79Å; M100-M104 WeakPolarHBondContact O-CE 3.48Å; M100-M104 PolarHBondContact O-N 3.28Å; M100-M104 VanDerWaalsContact O-N 3.09Å; M100-M104 HydrophobicContact SD-CE 4.37Å
101N88.3Confident86.2Confident0 Ų035.8 Ų35.80%022%0.216CC..Hα-helixtrans-67.7-37.5-179.5-65.7-9.8000112T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.05Å; Q97-N101 PolarHBondContact O-N 3.45Å; L98-N101 PolarHBondContact O-N 3.32Å; N101-M104 PolarHBondContact O-N 2.83Å; N101-A105 VanDerWaalsContact O-CB 3.32Å; N101-A105 WeakPolarHBondContact O-CB 3.07Å; N101-A105 PolarHBondContact O-N 3.35Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 3.44Å; N101-L160 HydrophobicContact CB-CD2 4.31Å; N101-L160 VanDerWaalsContact CG-CD2 3.41Å; N101-L160 WeakPolarHBondContact ND2-CB 3.29Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.48Å; N101-L160 VanDerWaalsContact ND2-CG 3.34Å; N101-L160 WeakPolarHBondContact ND2-CG 3.34Å; N101-L160 VanDerWaalsContact OD1-CD2 3.29Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.4Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.43Å; N101-T161 PolarHBondContact ND2-N 2.96Å
102L86.3Confident86.2Confident47 Ų4734 Ų3425%0.24620%0.204CC..Hα-helixtrans-69.9-39.1177.3-163.466.6000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.23Å; L98-L102 PolarHBondContact O-N 3.13Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 3.15Å; L102-M104 PolarHBondContact O-N 2.88Å; L102-A105 PolarHBondContact O-N 3.38Å; L102-I106 HydrophobicContact CD1-CD1 3.77Å; L102-I106 HydrophobicContact CD1-CG1 3.87Å; L102-I106 HydrophobicContact CD2-CD1 3.99Å; L102-I106 HydrophobicContact CG-CD1 3.51Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.23Å; L102-I106 PolarHBondContact O-N 3.12Å; L102-M154 HydrophobicContact CD1-SD 3.42Å; L102-M154 WeakPolarHBondContact CD1-SD 3.45Å; L102-M154 HydrophobicContact CD2-SD 4.25Å; L102-M154 HydrophobicContact CG-SD 4.48Å; L102-A157 HydrophobicContact CB-CB 4.45Å; L102-A157 HydrophobicContact CD1-CB 4.09Å
103A89.1Confident86.2Confident65 Ų6533.4 Ų33.454%0.53720%0.202SC..Hα-helixtrans-62.8-28.9173.600000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.38Å; S99-A103 PolarHBondContact O-N 3.32Å; M100-A103 PolarHBondContact O-N 2.87Å; A103-P107 WeakPolarHBondContact O-CD 3.5Å; A103-P107 WeakPolarHBondContact O-CG 3.16Å
104M85.9Confident86.3Confident26 Ų2637.9 Ų37.913%0.12823%0.225CC..Hα-helixtrans-79.8-45.3171.2-72-175.8-81.100112.4F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.31Å; F78-M104 HydrophobicContact CE1-SD 3.59Å; F78-M104 VanDerWaalsContact CE1-SD 3.59Å; M100-M104 HydrophobicContact CE-CE 3.87Å; M100-M104 HydrophobicContact CE-CG 4.44Å; M100-M104 HydrophobicContact CE-SD 4.06Å; M100-M104 HydrophobicContact CG-CE 3.79Å; M100-M104 WeakPolarHBondContact O-CE 3.48Å; M100-M104 PolarHBondContact O-N 3.28Å; M100-M104 VanDerWaalsContact O-N 3.09Å; M100-M104 HydrophobicContact SD-CE 4.37Å; N101-M104 PolarHBondContact O-N 2.83Å; L102-M104 PolarHBondContact O-N 2.88Å; M104-L108 WeakPolarHBondContact O-CD1 3.15Å; M104-L108 WeakPolarHBondContact O-CG 3.37Å
105A86.8Confident86.2Confident2 Ų239.6 Ų39.62%0.01723%0.233CC..Hα-helixtrans-70.6-45-17200000113.5N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.32Å; N101-A105 WeakPolarHBondContact O-CB 3.07Å; N101-A105 PolarHBondContact O-N 3.35Å; L102-A105 PolarHBondContact O-N 3.38Å; A105-L108 PolarHBondContact O-N 3.4Å; A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.42Å; A105-W109 PolarHBondContact O-N 3.23Å; A105-L156 HydrophobicContact CB-CD2 4.38Å; A105-A157 HydrophobicContact CB-CB 4.26Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.05Å
106I87.8Confident85.8Confident80 Ų8039.6 Ų39.641%0.4123%0.233SC..Hα-helixtrans-62.4-49.9-174.8-65.8176.6000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.77Å; L102-I106 HydrophobicContact CD1-CG1 3.87Å; L102-I106 HydrophobicContact CD2-CD1 3.99Å; L102-I106 HydrophobicContact CG-CD1 3.51Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.23Å; L102-I106 PolarHBondContact O-N 3.12Å; I106-L108 PolarHBondContact O-N 3.43Å; I106-W109 PolarHBondContact O-N 3.32Å; I106-A110 WeakPolarHBondContact O-CB 3.41Å; I106-A110 PolarHBondContact O-N 3.28Å
107P89.4Confident85.5Confident82 Ų8242.9 Ų42.953%0.53225%0.247SC..Hα-helixtrans-65.3-37.8-178.6-2436.6000113.3A103 G111A103-P107 WeakPolarHBondContact O-CD 3.5Å; A103-P107 WeakPolarHBondContact O-CG 3.16Å; P107-G111 PolarHBondContact O-N 3.47Å
108L87.6Confident84.9Confident16 Ų1650.1 Ų50.18%0.08427%0.271CS..Hα-helixtrans-65-46.8178-72.9165.9000111.5M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.71Å; M71-L108 HydrophobicContact CG-CD2 4.01Å; M71-L108 HydrophobicContact SD-CD2 3.57Å; M71-L108 VanDerWaalsContact SD-CD2 3.57Å; L75-L108 HydrophobicContact CD1-CD1 3.43Å; L75-L108 VanDerWaalsContact CD1-CD1 3.43Å; L75-L108 HydrophobicContact CD2-CD1 3.84Å; L75-L108 HydrophobicContact CG-CD1 4.29Å; M104-L108 WeakPolarHBondContact O-CD1 3.15Å; M104-L108 WeakPolarHBondContact O-CG 3.37Å; A105-L108 PolarHBondContact O-N 3.4Å; I106-L108 PolarHBondContact O-N 3.43Å; L108-G111 PolarHBondContact O-N 3.4Å; L108-A112 PolarHBondContact O-N 3.46Å; L108-A112 VanDerWaalsContact O-N 3.08Å; L108-F214 HydrophobicContact CD1-CE1 4.16Å; L108-V218 HydrophobicContact CB-CG1 4.32Å
109W86.2Confident84.1Confident38 Ų3849.1 Ų49.114%0.14427%0.27CS..Hα-helixtrans-63.8-47.9176.1172.489.4000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.42Å; A105-W109 PolarHBondContact O-N 3.23Å; I106-W109 PolarHBondContact O-N 3.32Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.21Å; W109-A112 PolarHBondContact O-N 2.69Å; W109-A112 VanDerWaalsContact O-N 3.13Å; W109-V113 HydrophobicContact CD2-CG2 4.08Å; W109-V113 HydrophobicContact CH2-CG2 4.43Å; W109-V113 HydrophobicContact CZ2-CG2 3.92Å; W109-V113 WeakPolarHBondContact O-CG2 3.34Å; W109-V113 PolarHBondContact O-N 3.16Å; W109-L149 HydrophobicContact CH2-CD2 4.16Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.92Å; W109-L149 VanDerWaalsContact CZ2-O 3.29Å; W109-L149 WeakPolarHBondContact CZ2-O 3.49Å; W109-L149 PolarHBondContact NE1-O 3.47Å; W109-L150 HydrophobicContact CH2-CD2 3.73Å; W109-L150 HydrophobicContact CZ2-CD2 4.25Å; W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.39Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.81Å; W109-P153 HydrophobicContact CE3-CG 4.33Å; W109-P153 HydrophobicContact CG-CB 3.85Å; W109-P153 HydrophobicContact CG-CG 3.82Å
110A85.4Confident83.3Confident27 Ų2749.4 Ų49.422%0.22326%0.261CS..Hα-helixtrans-60.4-41.2179.300000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.41Å; I106-A110 PolarHBondContact O-N 3.28Å; A110-V113 PolarHBondContact O-N 2.92Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.42Å; A110-I114 WeakPolarHBondContact O-CD1 3.38Å; A110-I114 WeakPolarHBondContact O-CG1 3.49Å; A110-I114 PolarHBondContact O-N 2.96Å
111G85.2Confident82.3Confident24 Ų2452.7 Ų52.725%0.24728%0.278CS..Hα-helixtrans-60.5-44.3174.900000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.47Å; L108-G111 PolarHBondContact O-N 3.4Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.21Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.47Å; G111-M115 PolarHBondContact O-N 3.19Å
112A83.4Confident81.2Confident1 Ų161.7 Ų61.71%0.00832%0.317CS..Hα-helixtrans-63.8-45.4177.400000111.8L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.46Å; L108-A112 VanDerWaalsContact O-N 3.08Å; W109-A112 PolarHBondContact O-N 2.69Å; W109-A112 VanDerWaalsContact O-N 3.13Å; A112-M115 PolarHBondContact O-N 2.91Å; A112-G116 PolarHBondContact O-N 3.39Å; A112-L222 HydrophobicContact CB-CD1 4.48Å
113V83Confident80.3Confident13 Ų1364.3 Ų64.38%0.07933%0.331CS..Hα-helixtrans-64.6-46.8178.4172.80000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.08Å; W109-V113 HydrophobicContact CH2-CG2 4.43Å; W109-V113 HydrophobicContact CZ2-CG2 3.92Å; W109-V113 WeakPolarHBondContact O-CG2 3.34Å; W109-V113 PolarHBondContact O-N 3.16Å; A110-V113 PolarHBondContact O-N 2.92Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.88Å; V113-G116 PolarHBondContact O-N 3Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.3Å; V113-F117 PolarHBondContact O-N 3.29Å
114I84.1Confident79.1Confident98 Ų9862 Ų6250%0.50331%0.312SS..Hα-helixtrans-60.8-39.4177-68.7163.6000110.7A110 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.42Å; A110-I114 WeakPolarHBondContact O-CD1 3.38Å; A110-I114 WeakPolarHBondContact O-CG1 3.49Å; A110-I114 PolarHBondContact O-N 2.96Å; I114-F117 PolarHBondContact O-N 3.09Å; I114-R118 HydrophobicContact CG2-CG 4.45Å; I114-R118 WeakPolarHBondContact O-CB 3.32Å; I114-R118 VanDerWaalsContact O-CG 3.32Å; I114-R118 WeakPolarHBondContact O-CG 3.35Å; I114-R118 PolarHBondContact O-N 2.84Å
115M81.1Confident78.1Confident45 Ų4565.3 Ų65.322%0.22233%0.33CS..Hα-helixtrans-65.6-37.9176.3-171.9169.5-179.200112.2W68 G111 A112 V113 R118 S119 L222W68-M115 HydrophobicContact CZ2-SD 3.92Å; W68-M115 PolarHBondContact NE1-SD 3.19Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.47Å; G111-M115 PolarHBondContact O-N 3.19Å; A112-M115 PolarHBondContact O-N 2.91Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.88Å; M115-R118 PolarHBondContact O-N 3.29Å; M115-S119 WeakPolarHBondContact O-CB 3.39Å; M115-S119 PolarHBondContact O-N 3.28Å; M115-S119 PolarHBondContact O-OG 3.09Å; M115-S119 VanDerWaalsContact O-OG 3.12Å; M115-L222 HydrophobicContact SD-CD1 4.18Å
116G76.4Confident76.9Confident1 Ų167.7 Ų67.71%0.0135%0.35CS..Hα-helixtrans-62.2-50.4173.300000112.9A112 V113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.39Å; V113-G116 PolarHBondContact O-N 3Å; V113-G116 VanDerWaalsContact O-N 3.14Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.21Å; G116-S119 PolarHBondContact O-N 3.25Å; G116-S119 PolarHBondContact O-OG 3.41Å; G116-K120 PolarHBondContact O-N 2.83Å; G116-N225 WeakPolarHBondContact CA-O 3.5Å
117F78.3Confident75.8Confident79 Ų7969.1 Ų69.135%0.34635%0.354SS..Hα-helixtrans-59.6-40175.4-78-65.4000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.3Å; V113-F117 PolarHBondContact O-N 3.29Å; I114-F117 PolarHBondContact O-N 3.09Å; F117-I121 WeakPolarHBondContact O-CG1 3.34Å; F117-A124 HydrophobicContact CD1-CB 4.25Å; F117-A124 HydrophobicContact CE1-CB 4.33Å; F117-L125 HydrophobicContact CD1-CD1 4.2Å; F117-L125 HydrophobicContact CE1-CD1 3.81Å; F117-F128 HydrophobicContact CZ-CE2 4.41Å
118R76.7Confident74.6Confident216 Ų21667 Ų6782%0.81534%0.337SS*.Hα-helixtrans-70.2-34.1178.8-74.2-179.268.9-168.51.8113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.45Å; I114-R118 WeakPolarHBondContact O-CB 3.32Å; I114-R118 VanDerWaalsContact O-CG 3.32Å; I114-R118 WeakPolarHBondContact O-CG 3.35Å; I114-R118 PolarHBondContact O-N 2.84Å; M115-R118 PolarHBondContact O-N 3.29Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.21Å
119S69.3Low73.4Confident47 Ų4769.3 Ų69.333%0.32935%0.349SS..Hα-helixtrans-89.2-39.2-172.671.90000113.6M115 G116M115-S119 WeakPolarHBondContact O-CB 3.39Å; M115-S119 PolarHBondContact O-N 3.28Å; M115-S119 PolarHBondContact O-OG 3.09Å; M115-S119 VanDerWaalsContact O-OG 3.12Å; G116-S119 PolarHBondContact O-N 3.25Å; G116-S119 PolarHBondContact O-OG 3.41Å
120K71.3Confident72.2Confident91 Ų9170.7 Ų70.740%0.39636%0.363SS..  trans-146.971.6-176.4-67.2175.6-178.4159.30111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 2.83Å; K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.33Å; K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.33Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 2.98Å; K120-A124 PolarHBondContact O-N 3.26Å; K120-T226 WeakPolarHBondContact CE-O 3.39Å; K120-T226 PolarHBondContact NZ-O 3.47Å; K120-T226 PolarHBondContact NZ-OXT 3.12Å
121I67Low71.1Confident108 Ų10879 Ų7955%0.55440%0.397SS*.Hα-helixtrans-47.6-49.2177.5-60.2170.5000111.8F117 N123 A124 L125F117-I121 WeakPolarHBondContact O-CG1 3.34Å; I121-N123 PolarHBondContact O-N 3.14Å; I121-A124 PolarHBondContact O-N 3.34Å; I121-L125 HydrophobicContact CG2-CD1 3.83Å; I121-L125 WeakPolarHBondContact O-CD1 3.42Å; I121-L125 PolarHBondContact O-N 2.92Å
122K64.4Low70Confident190 Ų19081.8 Ų81.883%0.82643%0.426SS*.Hα-helixtrans-65.4-37.5-176.5-65.5-176.3179.5-177.70113.3K120 A126K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.33Å; K122-A126 VanDerWaalsContact O-CB 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.5Å; K122-A126 PolarHBondContact O-N 2.69Å
123N68Low69.4Low101 Ų10183.5 Ų83.554%0.5444%0.436SS..Hα-helixtrans-79.2-36.3-178-147.961.4000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.33Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 3.14Å; N123-A126 PolarHBondContact O-N 3.17Å; N123-H127 PolarHBondContact O-N 3.06Å; N123-H127 VanDerWaalsContact O-N 3.09Å
124A64.7Low68.9Low17 Ų1786.7 Ų86.714%0.1446%0.457CS..Hα-helixtrans-62.9-42.7172.900000111.5F117 K120 I121 H127F117-A124 HydrophobicContact CD1-CB 4.25Å; F117-A124 HydrophobicContact CE1-CB 4.33Å; K120-A124 WeakPolarHBondContact O-CB 2.98Å; K120-A124 PolarHBondContact O-N 3.26Å; I121-A124 PolarHBondContact O-N 3.34Å; A124-H127 PolarHBondContact O-N 2.97Å
125L63.8Low68.4Low95 Ų9587.7 Ų87.750%0.49747%0.468SS..Hα-helixtrans-69.9-32.8174.4-8881000112.7F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.2Å; F117-L125 HydrophobicContact CE1-CD1 3.81Å; I121-L125 HydrophobicContact CG2-CD1 3.83Å; I121-L125 WeakPolarHBondContact O-CD1 3.42Å; I121-L125 PolarHBondContact O-N 2.92Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 2.96Å; L125-F128 PolarHBondContact O-N 2.98Å
126A62Low68.5Low53 Ų5390.2 Ų90.244%0.43849%0.488SS..Hα-helixtrans-67.7-27.4176.600000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.5Å; K122-A126 PolarHBondContact O-N 2.69Å; N123-A126 PolarHBondContact O-N 3.17Å; A126-F128 PolarHBondContact O-N 3.37Å; A126-L129 PolarHBondContact O-N 3.45Å
127H65.4Low68.5Low109 Ų10996.7 Ų96.751%0.50552%0.516SS..THydrogen-bonded Turntrans-65.1-20.9175.7-160.2-62.9000112.9N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.06Å; N123-H127 VanDerWaalsContact O-N 3.09Å; A124-H127 PolarHBondContact O-N 2.97Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 2.96Å; H127-L129 PolarHBondContact O-N 2.92Å
128F63.3Low68.6Low37 Ų3795.3 Ų95.316%0.16251%0.511CS..THydrogen-bonded Turntrans-69.9-14.8173.4-67-57.9000113.5F117 L125 A126 E145 T146F117-F128 HydrophobicContact CZ-CE2 4.41Å; L125-F128 PolarHBondContact O-N 2.98Å; A126-F128 PolarHBondContact O-N 3.37Å; F128-E145 HydrophobicContact CD1-CB 4.3Å; F128-E145 HydrophobicContact CD1-CG 3.94Å; F128-T146 HydrophobicContact CD1-CG2 4.06Å; F128-T146 HydrophobicContact CE1-CG2 3.83Å; F128-T146 HydrophobicContact CZ-CG2 4.36Å
129L63.4Low68.7Low65 Ų6589.1 Ų89.134%0.3450%0.499SS..SBendtrans-121.6114.4175.6-100.477.4000111.1A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3.45Å; H127-L129 PolarHBondContact O-N 2.92Å; L129-Q131 PolarHBondContact O-N 3.28Å; L129-I138 HydrophobicContact CD1-CG2 4Å; L129-I138 HydrophobicContact CD2-CD1 4.2Å; L129-I138 HydrophobicContact CD2-CG1 4.27Å; L129-I138 HydrophobicContact CD2-CG2 3.81Å; L129-I138 HydrophobicContact CG-CG2 4.17Å; L129-V142 HydrophobicContact CD1-CG2 3.34Å
130P61.1Low69.4Low68 Ų6892.4 Ų92.444%0.44251%0.511SS..  trans-62.6135.9164.218.4-18.8000109.5G132 T133 L141P130-G132 PolarHBondContact O-N 2.73Å; P130-T133 HydrophobicContact CB-CG2 4.42Å; P130-T133 HydrophobicContact CG-CG2 3.75Å; P130-T133 WeakPolarHBondContact O-CG2 3.44Å; P130-T133 PolarHBondContact O-OG1 2.95Å; P130-L141 HydrophobicContact CG-CD1 3.76Å; P130-L141 HydrophobicContact CG-CD2 3.88Å; P130-L141 HydrophobicContact CG-CG 4.5Å
131Q60.9Low70Confident202 Ų20290.2 Ų90.294%0.94450%0.503SS*.THydrogen-bonded Turntrans-64.4131.9-178.8-62.2-162.94.600110.3L129L129-Q131 PolarHBondContact O-N 3.28Å
132G62.5Low70.6Confident82 Ų8287.3 Ų87.385%0.84549%0.49SS*.THydrogen-bonded Turntrans94.815.8178.500000115.6P130P130-G132 PolarHBondContact O-N 2.73Å
133T70.6Confident71.6Confident37 Ų3782.6 Ų82.623%0.22747%0.473CS..  trans-74.9133.7176.3430000112.4P130 L141P130-T133 HydrophobicContact CB-CG2 4.42Å; P130-T133 HydrophobicContact CG-CG2 3.75Å; P130-T133 WeakPolarHBondContact O-CG2 3.44Å; P130-T133 PolarHBondContact O-OG1 2.95Å; T133-L141 HydrophobicContact CG2-CD1 3.8Å
134P72.4Confident72.4Confident79 Ų7982.2 Ų82.251%0.51347%0.47SS..  trans-65.1138.1175.61.85.3000110.7P136 F137P134-P136 VanDerWaalsContact C-N 3.3Å; P134-P136 VanDerWaalsContact O-CD 3.29Å; P134-P136 WeakPolarHBondContact O-CD 3.39Å; P134-F137 HydrophobicContact CB-CD2 4.32Å; P134-F137 HydrophobicContact CG-CD2 4Å; P134-F137 PolarHBondContact O-N 3.43Å
135T74.9Confident73.4Confident119 Ų11984 Ų8473%0.7348%0.476SS*.THydrogen-bonded Turntrans-49.5-30.6-172.750.50000117I138T135-I138 HydrophobicContact CG2-CD1 4.44Å
136P81.8Confident74.2Confident99 Ų9982 Ų8264%0.64347%0.467SS*.THydrogen-bonded Turntrans-73.1-29.3178.8-16.932000114.2P134 P139P134-P136 VanDerWaalsContact C-N 3.3Å; P134-P136 VanDerWaalsContact O-CD 3.29Å; P134-P136 WeakPolarHBondContact O-CD 3.39Å; P136-P139 WeakPolarHBondContact O-CD 3.29Å
137F77.5Confident75.3Confident137 Ų13783.4 Ų83.460%0.60147%0.467SS*.THydrogen-bonded Turntrans-88.6-9-173.4-67.7-72.8000113.7P134 M140 L141P134-F137 HydrophobicContact CB-CD2 4.32Å; P134-F137 HydrophobicContact CG-CD2 4Å; P134-F137 PolarHBondContact O-N 3.43Å; F137-M140 PolarHBondContact O-N 2.93Å; F137-L141 PolarHBondContact O-N 3.28Å
138I79.2Confident76.1Confident49 Ų4980.8 Ų80.825%0.25146%0.46SS..Hα-helixtrans-54.9-49.1-177.2-64.6176.7000112.3L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4Å; L129-I138 HydrophobicContact CD2-CD1 4.2Å; L129-I138 HydrophobicContact CD2-CG1 4.27Å; L129-I138 HydrophobicContact CD2-CG2 3.81Å; L129-I138 HydrophobicContact CG-CG2 4.17Å; T135-I138 HydrophobicContact CG2-CD1 4.44Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.39Å; I138-L141 PolarHBondContact O-N 3.36Å; I138-V142 HydrophobicContact CG2-CG2 4.49Å; I138-V142 WeakPolarHBondContact O-CG2 3.25Å; I138-V142 PolarHBondContact O-N 3.33Å; I138-V142 VanDerWaalsContact O-N 3.15Å
139P79.4Confident77Confident86 Ų8681.2 Ų81.256%0.55846%0.464SS*.Hα-helixtrans-64.7-37.3-176.3-20.533.5000112.8P136 I143P136-P139 WeakPolarHBondContact O-CD 3.29Å; P139-I143 WeakPolarHBondContact O-CG1 3.35Å; P139-I143 PolarHBondContact O-N 3.4Å
140M83Confident77.9Confident116 Ų11683.3 Ų83.357%0.57148%0.475SS*.Hα-helixtrans-69.2-41.6179-174.164.4-175.600111.5F137 I138 I143 I144F137-M140 PolarHBondContact O-N 2.93Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.39Å; M140-I143 PolarHBondContact O-N 2.96Å; M140-I144 HydrophobicContact CE-CD1 4Å; M140-I144 HydrophobicContact CE-CG1 4.26Å; M140-I144 HydrophobicContact CG-CD1 4.09Å; M140-I144 WeakPolarHBondContact O-CG1 3.27Å; M140-I144 PolarHBondContact O-N 3.04Å; M140-I144 VanDerWaalsContact O-N 3.1Å
141L83.9Confident79.1Confident46 Ų4684.8 Ų84.824%0.24148%0.478CS..Hα-helixtrans-67.2-40.3-177.7-162155.8000111.7P130 T133 F137 I138 I143 I144 E145P130-L141 HydrophobicContact CG-CD1 3.76Å; P130-L141 HydrophobicContact CG-CD2 3.88Å; P130-L141 HydrophobicContact CG-CG 4.5Å; T133-L141 HydrophobicContact CG2-CD1 3.8Å; F137-L141 PolarHBondContact O-N 3.28Å; I138-L141 PolarHBondContact O-N 3.36Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.97Å; L141-I144 PolarHBondContact O-N 2.91Å; L141-I144 VanDerWaalsContact O-N 3.15Å; L141-E145 WeakPolarHBondContact O-CB 3.21Å; L141-E145 PolarHBondContact O-N 2.98Å
142V81.4Confident80.1Confident46 Ų4678.3 Ų78.328%0.27945%0.448SS..Hα-helixtrans-58.7-41.8175.11740000111.4L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.34Å; I138-V142 HydrophobicContact CG2-CG2 4.49Å; I138-V142 WeakPolarHBondContact O-CG2 3.25Å; I138-V142 PolarHBondContact O-N 3.33Å; I138-V142 VanDerWaalsContact O-N 3.15Å; V142-E145 PolarHBondContact O-N 3.46Å; V142-T146 HydrophobicContact CG1-CG2 4.4Å; V142-T146 WeakPolarHBondContact O-CB 3.32Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.1Å; V142-T146 PolarHBondContact O-N 2.88Å; V142-T146 PolarHBondContact O-OG1 3.08Å
143I84.6Confident80.9Confident92 Ų9274.9 Ų74.947%0.47241%0.411SS..Hα-helixtrans-63.6-44.5176.9-65.9167.3000110.5P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.35Å; P139-I143 PolarHBondContact O-N 3.4Å; M140-I143 PolarHBondContact O-N 2.96Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.97Å; I143-E145 PolarHBondContact O-N 3.4Å; I143-T146 WeakPolarHBondContact CA-OG1 3.38Å; I143-T146 PolarHBondContact O-OG1 3.45Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CD1 3.44Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.35Å; I143-I147 PolarHBondContact O-N 3.41Å
144I85.5Confident81.5Confident93 Ų9377 Ų7748%0.47742%0.419SS..Hα-helixtrans-64.5-43.2179.2-64.6165.9000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 4Å; M140-I144 HydrophobicContact CE-CG1 4.26Å; M140-I144 HydrophobicContact CG-CD1 4.09Å; M140-I144 WeakPolarHBondContact O-CG1 3.27Å; M140-I144 PolarHBondContact O-N 3.04Å; M140-I144 VanDerWaalsContact O-N 3.1Å; L141-I144 PolarHBondContact O-N 2.91Å; L141-I144 VanDerWaalsContact O-N 3.15Å; I144-I147 PolarHBondContact O-N 2.92Å; I144-S148 WeakPolarHBondContact O-CB 3.48Å; I144-S148 PolarHBondContact O-N 3.47Å
145E83.8Confident82.1Confident55 Ų5575.1 Ų75.126%0.25741%0.41SS..Hα-helixtrans-67.8-39.9-178.5-167.161.4-159.700111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.3Å; F128-E145 HydrophobicContact CD1-CG 3.94Å; L141-E145 WeakPolarHBondContact O-CB 3.21Å; L141-E145 PolarHBondContact O-N 2.98Å; V142-E145 PolarHBondContact O-N 3.46Å; I143-E145 PolarHBondContact O-N 3.4Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.45Å; E145-S148 WeakPolarHBondContact O-CB 3.27Å; E145-S148 PolarHBondContact O-N 3.17Å; E145-L149 WeakPolarHBondContact O-CB 3.21Å; E145-L149 PolarHBondContact O-N 2.66Å
146T81.2Confident82.4Confident51 Ų5169.7 Ų69.731%0.31338%0.377SS..Hα-helixtrans-63.2-38.8173.752.90000112.2F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.06Å; F128-T146 HydrophobicContact CE1-CG2 3.83Å; F128-T146 HydrophobicContact CZ-CG2 4.36Å; V142-T146 HydrophobicContact CG1-CG2 4.4Å; V142-T146 WeakPolarHBondContact O-CB 3.32Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.1Å; V142-T146 PolarHBondContact O-N 2.88Å; V142-T146 PolarHBondContact O-OG1 3.08Å; I143-T146 WeakPolarHBondContact CA-OG1 3.38Å; I143-T146 PolarHBondContact O-OG1 3.45Å; T146-L150 WeakPolarHBondContact O-CG 3.39Å; T146-L150 PolarHBondContact O-N 3.35Å
147I85.2Confident82.5Confident84 Ų8465 Ų6543%0.43135%0.346SS..Hα-helixtrans-66.6-43.9173.8-68.1166.4000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CD1 3.44Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.35Å; I143-I147 PolarHBondContact O-N 3.41Å; I144-I147 PolarHBondContact O-N 2.92Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.45Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.21Å; I147-L150 PolarHBondContact O-N 3.41Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.34Å; I147-I151 PolarHBondContact O-N 2.83Å
148S83.4Confident82.9Confident53 Ų5361.3 Ų61.337%0.37134%0.335SS..Hα-helixtrans-57.5-46.2178-176.50000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.48Å; I144-S148 PolarHBondContact O-N 3.47Å; E145-S148 WeakPolarHBondContact O-CB 3.27Å; E145-S148 PolarHBondContact O-N 3.17Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.99Å; S148-I151 PolarHBondContact O-N 3.17Å; S148-Q152 PolarHBondContact O-N 3.33Å; S148-Q152 VanDerWaalsContact O-N 3.14Å
149L82.3Confident83.3Confident46 Ų4663.7 Ų63.724%0.24134%0.341CS..Hα-helixtrans-60.7-35.8177.3-173.6121.6000112.3W109 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.16Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.92Å; W109-L149 VanDerWaalsContact CZ2-O 3.29Å; W109-L149 WeakPolarHBondContact CZ2-O 3.49Å; W109-L149 PolarHBondContact NE1-O 3.47Å; E145-L149 WeakPolarHBondContact O-CB 3.21Å; E145-L149 PolarHBondContact O-N 2.66Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.21Å; L149-P153 WeakPolarHBondContact O-CD 3.11Å
150L82.2Confident83.4Confident109 Ų10959.6 Ų59.657%0.57131%0.314SS*.Hα-helixtrans-78.3-34.9177-71.7173.4000113.7W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.73Å; W109-L150 HydrophobicContact CZ2-CD2 4.25Å; T146-L150 WeakPolarHBondContact O-CG 3.39Å; T146-L150 PolarHBondContact O-N 3.35Å; I147-L150 PolarHBondContact O-N 3.41Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.99Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-P153 WeakPolarHBondContact O-CD 3.3Å; L150-P153 WeakPolarHBondContact O-CG 3.24Å
151I85.1Confident83.5Confident99 Ų9954.7 Ų54.751%0.50829%0.291SS..Hα-helixtrans-72.2-31.5-179.4-69.8173.2000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.34Å; I147-I151 PolarHBondContact O-N 2.83Å; S148-I151 PolarHBondContact O-N 3.17Å; I151-M154 WeakPolarHBondContact O-CB 3.37Å; I151-M154 PolarHBondContact O-N 3.5Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.07Å; I151-A155 PolarHBondContact O-N 3.16Å
152Q82.9Confident83.6Confident67 Ų6754.5 Ų54.531%0.31330%0.295SS..Hα-helixtrans-51-53.5-177.5-108.6174.7-12.300116.2S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.33Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 2.83Å; Q152-A155 PolarHBondContact O-N 2.99Å; Q152-L156 WeakPolarHBondContact O-CB 3.28Å; Q152-L156 PolarHBondContact O-N 3.45Å; Q152-Y221 HydrophobicContact CG-CE1 4.34Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.35Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.28Å; Q152-Y221 PolarHBondContact NE2-OH 2.88Å; Q152-Y221 VanDerWaalsContact OE1-CZ 3.32Å; Q152-Y221 PolarHBondContact OE1-OH 3.48Å
153P79.1Confident83.9Confident10 Ų1055.2 Ų55.27%0.06530%0.298CS..Hα-helixtrans-63.7-34.4178.623.7-34.4000112.1W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.39Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.81Å; W109-P153 HydrophobicContact CE3-CG 4.33Å; W109-P153 HydrophobicContact CG-CB 3.85Å; W109-P153 HydrophobicContact CG-CG 3.82Å; L149-P153 WeakPolarHBondContact O-CD 3.11Å; L150-P153 WeakPolarHBondContact O-CD 3.3Å; L150-P153 WeakPolarHBondContact O-CG 3.24Å; P153-A157 PolarHBondContact O-N 2.87Å
154M83.7Confident83.9Confident81 Ų8151.1 Ų51.140%0.39928%0.277SS..Hα-helixtrans-67-45.9175.3-169.566-175.400111.1L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.12Å; L102-M154 HydrophobicContact CD1-SD 3.42Å; L102-M154 WeakPolarHBondContact CD1-SD 3.45Å; L102-M154 HydrophobicContact CD2-SD 4.25Å; L102-M154 HydrophobicContact CG-SD 4.48Å; I151-M154 WeakPolarHBondContact O-CB 3.37Å; I151-M154 PolarHBondContact O-N 3.5Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 2.83Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 2.87Å; M154-A157 PolarHBondContact O-N 3.17Å; M154-V158 HydrophobicContact CE-CG2 4.11Å; M154-V158 HydrophobicContact CG-CG2 4.46Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.16Å; M154-V158 PolarHBondContact O-N 3.4Å
155A84.9Confident84Confident39 Ų3948.4 Ų48.432%0.32227%0.265SS..Hα-helixtrans-61.9-37.2178.600000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.07Å; I151-A155 PolarHBondContact O-N 3.16Å; Q152-A155 PolarHBondContact O-N 2.99Å; A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.02Å; A155-R159 PolarHBondContact O-N 3.3Å
156L80.3Confident84.2Confident5 Ų548.4 Ų48.43%0.02627%0.274CS..Hα-helixtrans-62-48.2174.9-164.589.2000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.38Å; Q152-L156 WeakPolarHBondContact O-CB 3.28Å; Q152-L156 PolarHBondContact O-N 3.45Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 2.87Å; L156-R159 PolarHBondContact O-N 2.97Å; L156-L160 PolarHBondContact O-N 3.22Å; L156-F214 HydrophobicContact CD1-CD2 4.31Å; L156-F214 HydrophobicContact CD2-CD1 3.93Å; L156-F214 HydrophobicContact CD2-CD2 3.35Å; L156-F214 HydrophobicContact CD2-CE1 3.73Å; L156-F214 HydrophobicContact CD2-CE2 3.16Å; L156-F214 HydrophobicContact CD2-CG 3.75Å; L156-F214 HydrophobicContact CD2-CZ 3.37Å; L156-F214 HydrophobicContact CG-CD2 3.49Å; L156-F214 VanDerWaalsContact CG-CD2 3.49Å; L156-F214 HydrophobicContact CG-CE2 3.66Å; L156-F214 HydrophobicContact CG-CG 4.09Å; L156-F214 HydrophobicContact CG-CZ 4.35Å; L156-L217 HydrophobicContact CD1-CB 3.83Å; L156-L217 HydrophobicContact CD1-CD1 3.36Å; L156-L217 HydrophobicContact CD1-CG 4.22Å; L156-V218 HydrophobicContact CD2-CG2 4.31Å
157A83.6Confident84.5Confident0 Ų046.2 Ų46.20%026%0.261CS..Hα-helixtrans-64.4-45.2179.700000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.36Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 3.44Å; L102-A157 HydrophobicContact CB-CB 4.45Å; L102-A157 HydrophobicContact CD1-CB 4.09Å; A105-A157 HydrophobicContact CB-CB 4.26Å; P153-A157 PolarHBondContact O-N 2.87Å; M154-A157 PolarHBondContact O-N 3.17Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 3.33Å; A157-L160 PolarHBondContact O-N 3.05Å; A157-T161 PolarHBondContact O-N 3.41Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 2.95Å
158V86.8Confident84.6Confident61 Ų6143.8 Ų43.837%0.3725%0.248SC..Hα-helixtrans-63.6-38.5177.51730000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.9Å; M154-V158 HydrophobicContact CE-CG2 4.11Å; M154-V158 HydrophobicContact CG-CG2 4.46Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.16Å; M154-V158 PolarHBondContact O-N 3.4Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.3Å; V158-T161 WeakPolarHBondContact CA-OG1 3.15Å; V158-T161 PolarHBondContact O-N 3.1Å; V158-T161 PolarHBondContact O-OG1 3.06Å; V158-A162 WeakPolarHBondContact O-CB 3.47Å; V158-A162 PolarHBondContact O-N 2.82Å
159R86.9Confident84.8Confident99 Ų9943.3 Ų43.337%0.37424%0.241SC..Hα-helixtrans-61.1-43.2177.7-168.6-173.1-61.4154.72.1111.7A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.02Å; A155-R159 PolarHBondContact O-N 3.3Å; L156-R159 PolarHBondContact O-N 2.97Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 3.33Å; R159-N163 WeakPolarHBondContact O-CB 3.35Å; R159-N163 VanDerWaalsContact O-CG 3.26Å; R159-N163 PolarHBondContact O-N 3.23Å; R159-N163 PolarHBondContact O-ND2 3.26Å; R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å
160L82.1Confident85.2Confident0 Ų045 Ų450%025%0.25CS..Hα-helixtrans-67.1-44.6179.6179.269.1000110.9I79 N83 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.06Å; I79-L160 HydrophobicContact CG2-CD2 4.18Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.02Å; T95-L160 HydrophobicContact CG2-CD2 4.44Å; N101-L160 HydrophobicContact CB-CD2 4.31Å; N101-L160 VanDerWaalsContact CG-CD2 3.41Å; N101-L160 WeakPolarHBondContact ND2-CB 3.29Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.48Å; N101-L160 VanDerWaalsContact ND2-CG 3.34Å; N101-L160 WeakPolarHBondContact ND2-CG 3.34Å; N101-L160 VanDerWaalsContact OD1-CD2 3.29Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.4Å; L156-L160 PolarHBondContact O-N 3.22Å; A157-L160 PolarHBondContact O-N 3.05Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.3Å; L160-I164 HydrophobicContact CD1-CD1 3.7Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3.32Å; L160-I164 PolarHBondContact O-N 3.46Å; L160-Q210 VanDerWaalsContact CA-NE2 3.26Å; L160-Q210 HydrophobicContact CB-CG 4.24Å; L160-Q210 HydrophobicContact CD1-CB 4.35Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.4Å; L160-F214 HydrophobicContact CD2-CD2 4.42Å
161T85.4Confident85.5Confident13 Ų1341.1 Ų41.18%0.0823%0.229CC..Hα-helixtrans-65.3-46.6177.348.70000112.2T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.34Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.43Å; N101-T161 PolarHBondContact ND2-N 2.96Å; A157-T161 PolarHBondContact O-N 3.41Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 2.95Å; V158-T161 WeakPolarHBondContact CA-OG1 3.15Å; V158-T161 PolarHBondContact O-N 3.1Å; V158-T161 PolarHBondContact O-OG1 3.06Å; T161-N163 PolarHBondContact O-N 3.26Å; T161-I164 PolarHBondContact O-N 3.32Å; T161-T165 VanDerWaalsContact O-CB 3.28Å; T161-T165 WeakPolarHBondContact O-CB 3.42Å; T161-T165 WeakPolarHBondContact O-CG2 3.34Å; T161-T165 PolarHBondContact O-N 3.01Å; T161-T165 PolarHBondContact O-OG1 3.1Å
162A84.8Confident85.7Confident41 Ų4140.5 Ų40.534%0.33922%0.224SC..Hα-helixtrans-63.7-44.1-172.700000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.47Å; V158-A162 PolarHBondContact O-N 2.82Å; A162-T165 WeakPolarHBondContact CA-OG1 3.19Å; A162-T165 PolarHBondContact O-OG1 3.34Å; A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 2.95Å
163N88Confident86Confident62 Ų6241.6 Ų41.633%0.33223%0.232SC..Hα-helixtrans-63.9-49-179.6-69.3-6.8000111.2R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.35Å; R159-N163 VanDerWaalsContact O-CG 3.26Å; R159-N163 PolarHBondContact O-N 3.23Å; R159-N163 PolarHBondContact O-ND2 3.26Å; T161-N163 PolarHBondContact O-N 3.26Å; N163-G167 PolarHBondContact O-N 3.38Å; N163-V206 HydrophobicContact CB-CG1 4.08Å
164I85.1Confident86.6Confident6 Ų642.8 Ų42.83%0.03124%0.237CC..Hα-helixtrans-70.3-40.3-176.9-59.7173.1000111.5N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.29Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.5Å; T93-I164 HydrophobicContact CG2-CG2 4.35Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.17Å; T96-I164 HydrophobicContact CG2-CB 4.39Å; T96-I164 HydrophobicContact CG2-CG2 3.67Å; L160-I164 HydrophobicContact CD1-CD1 3.7Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3.32Å; L160-I164 PolarHBondContact O-N 3.46Å; T161-I164 PolarHBondContact O-N 3.32Å; I164-H168 PolarHBondContact O-CD2 2.93Å; I164-H168 PolarHBondContact O-N 3.03Å; I164-H168 VanDerWaalsContact O-N 3.08Å
165T87.2Confident86.9Confident35 Ų3540 Ų4022%0.21523%0.23CC..Hα-helixtrans-67-46.2177.553.10000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.41Å; F9-T165 HydrophobicContact CE1-CG2 4.11Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å; T161-T165 VanDerWaalsContact O-CB 3.28Å; T161-T165 WeakPolarHBondContact O-CB 3.42Å; T161-T165 WeakPolarHBondContact O-CG2 3.34Å; T161-T165 PolarHBondContact O-N 3.01Å; T161-T165 PolarHBondContact O-OG1 3.1Å; A162-T165 WeakPolarHBondContact CA-OG1 3.19Å; A162-T165 PolarHBondContact O-OG1 3.34Å; T165-H168 PolarHBondContact O-N 3.08Å; T165-L169 WeakPolarHBondContact O-CB 3.3Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 3.26Å
166A87.2Confident87.1Confident55 Ų5540.9 Ų40.946%0.45523%0.234SC..Hα-helixtrans-64.2-42.9178.300000111.3A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 2.95Å; A166-L169 PolarHBondContact O-N 3.28Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.26Å; A166-L170 PolarHBondContact O-N 3.44Å
167G87.6Confident87.5Confident5 Ų542.5 Ų42.55%0.05225%0.248CC..Hα-helixtrans-58.5-48.8176.300000112.6N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.38Å; G167-L170 PolarHBondContact O-N 2.97Å; G167-M171 WeakPolarHBondContact O-CG 3.36Å; G167-M171 PolarHBondContact O-N 2.99Å; G167-E203 WeakPolarHBondContact CA-OE2 3.46Å
168H87.8Confident87.8Confident33 Ų3343.4 Ų43.415%0.15325%0.253CS..Hα-helixtrans-62.3-43.3175.8-91.9-90.5000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.13Å; F9-H168 HydrophobicContact CZ-CB 3.85Å; G86-H168 PolarHBondContact O-CE1 2.94Å; G86-H168 PolarHBondContact O-NE2 3.23Å; I164-H168 PolarHBondContact O-CD2 2.93Å; I164-H168 PolarHBondContact O-N 3.03Å; I164-H168 VanDerWaalsContact O-N 3.08Å; T165-H168 PolarHBondContact O-N 3.08Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 3.4Å; H168-M171 PolarHBondContact O-N 3.35Å; H168-H172 WeakPolarHBondContact O-CB 3.45Å; H168-H172 PolarHBondContact O-N 3.45Å
169L87.9Confident87.9Confident43 Ų4346.6 Ų46.623%0.22527%0.268CS..Hα-helixtrans-61.8-42.5175.9-77.5170.4000111.3F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.4Å; F6-L169 HydrophobicContact CE1-CD1 4.13Å; F6-L169 HydrophobicContact CE1-CD2 4.03Å; F6-L169 HydrophobicContact CZ-CD2 4.45Å; F9-L169 HydrophobicContact CE2-CD1 4.49Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.8Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.94Å; T165-L169 WeakPolarHBondContact O-CB 3.3Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 3.26Å; A166-L169 PolarHBondContact O-N 3.28Å; L169-H172 PolarHBondContact O-N 3.49Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.14Å; L169-L173 PolarHBondContact O-N 2.86Å
170L89.8Confident88Confident81 Ų8144.1 Ų44.142%0.42427%0.268SS..Hα-helixtrans-67.6-42.2-179.4-154.9154.4000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.26Å; A166-L170 PolarHBondContact O-N 3.44Å; G167-L170 PolarHBondContact O-N 2.97Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 3.4Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.36Å; L170-L173 PolarHBondContact O-N 3.06Å; L170-I174 HydrophobicContact CD2-CD1 3.45Å; L170-I174 VanDerWaalsContact CD2-CD1 3.45Å; L170-I174 HydrophobicContact CD2-CG1 4.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.3Å; L170-I174 PolarHBondContact O-N 3.43Å; L170-L199 HydrophobicContact CB-CD2 4.34Å; L170-L199 HydrophobicContact CD2-CD1 3.7Å; L170-L199 HydrophobicContact CD2-CD2 3.23Å; L170-L199 HydrophobicContact CD2-CG 4.08Å; L170-L199 HydrophobicContact CG-CD2 4.37Å
171M90.1Very high88.3Confident28 Ų2847.1 Ų47.114%0.13828%0.283CS..Hα-helixtrans-58.8-43.2172-74.9-172.1-69.100111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.03Å; G167-M171 WeakPolarHBondContact O-CG 3.36Å; G167-M171 PolarHBondContact O-N 2.99Å; H168-M171 PolarHBondContact O-N 3.35Å; M171-G175 PolarHBondContact O-N 3.09Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.15Å; M171-T200 HydrophobicContact SD-CG2 3.81Å; M171-E203 HydrophobicContact CE-CG 4.14Å
172H89Confident88.4Confident87 Ų8749.6 Ų49.640%0.40330%0.301SS..Hα-helixtrans-67.9-41.6178.6-169.2-60.3000112.3L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.4Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.39Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.08Å; H168-H172 WeakPolarHBondContact O-CB 3.45Å; H168-H172 PolarHBondContact O-N 3.45Å; L169-H172 PolarHBondContact O-N 3.49Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.36Å; H172-G175 PolarHBondContact O-N 3.03Å; H172-S176 PolarHBondContact O-N 3Å; H172-S176 PolarHBondContact O-OG 3.05Å
173L89.9Confident88.5Confident90 Ų9053.3 Ų53.347%0.47132%0.319SS..Hα-helixtrans-63.6-48.2178.3-74.3171.7000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.15Å; L5-L173 HydrophobicContact CD2-CD2 4.39Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.14Å; L169-L173 PolarHBondContact O-N 2.86Å; L170-L173 PolarHBondContact O-N 3.06Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.74Å; L173-S176 PolarHBondContact O-N 2.99Å; L173-S176 PolarHBondContact O-OG 3.26Å; L173-A177 PolarHBondContact O-N 2.88Å
174I91.1Very high88.5Confident34 Ų3455.3 Ų55.317%0.17433%0.329CS..Hα-helixtrans-64.4-40.4176.4-64.7-173.5000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.45Å; L170-I174 VanDerWaalsContact CD2-CD1 3.45Å; L170-I174 HydrophobicContact CD2-CG1 4.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.3Å; L170-I174 PolarHBondContact O-N 3.43Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.33Å; I174-A177 WeakPolarHBondContact O-CB 3.49Å; I174-A177 PolarHBondContact O-N 3.36Å; I174-A177 VanDerWaalsContact O-N 3.13Å; I174-T178 HydrophobicContact CG2-CG2 4.39Å; I174-T178 WeakPolarHBondContact O-CG2 3.48Å; I174-T178 PolarHBondContact O-N 3.26Å; I174-I192 HydrophobicContact CG2-CG2 3.79Å; I174-I195 HydrophobicContact CD1-CG2 4.03Å; I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L199 HydrophobicContact CD1-CD2 4.15Å
175G89.9Confident88.6Confident24 Ų2459.7 Ų59.725%0.24735%0.352CS..Hα-helixtrans-61.5-36.9174.900000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.09Å; H172-G175 PolarHBondContact O-N 3.03Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.74Å; G175-T178 PolarHBondContact O-OG1 2.86Å; G175-L179 PolarHBondContact O-N 3.34Å
176S88.9Confident88.7Confident57 Ų5765 Ų6540%0.39938%0.378SS..Hα-helixtrans-70.3-34.9173.371.90000112.2H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 3Å; H172-S176 PolarHBondContact O-OG 3.05Å; L173-S176 PolarHBondContact O-N 2.99Å; L173-S176 PolarHBondContact O-OG 3.26Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.33Å; S176-L179 PolarHBondContact O-N 2.97Å; S176-A180 WeakPolarHBondContact O-CB 3.38Å; S176-A180 PolarHBondContact O-N 3.45Å
177A88.2Confident88.7Confident39 Ų3966.7 Ų66.732%0.32239%0.385SS..Hα-helixtrans-69.2-41.1176.200000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.88Å; I174-A177 WeakPolarHBondContact O-CB 3.49Å; I174-A177 PolarHBondContact O-N 3.36Å; I174-A177 VanDerWaalsContact O-N 3.13Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.9Å; A177-A180 PolarHBondContact O-N 3.31Å; A177-M181 WeakPolarHBondContact O-CB 3.22Å; A177-M181 WeakPolarHBondContact O-CG 3.31Å; A177-M181 PolarHBondContact O-N 3.43Å
178T90.3Very high88.7Confident19 Ų1968.2 Ų68.212%0.11740%0.395CS..Hα-helixtrans-60.7-42.9174.256.30000110.8I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.39Å; I174-T178 WeakPolarHBondContact O-CG2 3.48Å; I174-T178 PolarHBondContact O-N 3.26Å; G175-T178 PolarHBondContact O-OG1 2.86Å; T178-M181 PolarHBondContact O-N 3.4Å; T178-S182 WeakPolarHBondContact O-CB 3.27Å; T178-S182 PolarHBondContact O-N 3.29Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å
179L89.6Confident88.9Confident128 Ų12867.8 Ų67.867%0.6740%0.395SS*.Hα-helixtrans-65.8-42.3179.1-164.3137.3000111.9G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.34Å; S176-L179 PolarHBondContact O-N 2.97Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.9Å; L179-S182 PolarHBondContact O-N 2.85Å; L179-S182 PolarHBondContact O-OG 3.45Å
180A88.8Confident89.1Confident46 Ų4671.4 Ų71.438%0.3841%0.414SS..Hα-helixtrans-63.4-45.6174.500000112.2S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.38Å; S176-A180 PolarHBondContact O-N 3.45Å; A177-A180 PolarHBondContact O-N 3.31Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 2.87Å; A180-T183 PolarHBondContact O-N 3.39Å; A180-T183 PolarHBondContact O-OG1 3.35Å
181M87.4Confident89.2Confident63 Ų6372.6 Ų72.631%0.3142%0.419SS..Hα-helixtrans-69.7-24.7-178.7-67.4-63.7113.700113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.22Å; A177-M181 WeakPolarHBondContact O-CG 3.31Å; A177-M181 PolarHBondContact O-N 3.43Å; T178-M181 PolarHBondContact O-N 3.4Å; M181-T183 PolarHBondContact O-N 2.97Å; M181-T183 VanDerWaalsContact O-N 3.16Å; M181-I184 HydrophobicContact CE-CD1 3.61Å; M181-I184 PolarHBondContact O-N 3.31Å; M181-I184 HydrophobicContact SD-CD1 4.13Å; M181-N185 PolarHBondContact O-N 3.36Å; M181-N185 VanDerWaalsContact O-N 3.08Å; M181-T189 PolarHBondContact O-OG1 2.85Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.65Å
182S87.6Confident89.4Confident66 Ų6673.2 Ų73.246%0.46242%0.423SS..Hα-helixtrans-57.2-29.6176.976.20000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.27Å; T178-S182 PolarHBondContact O-N 3.29Å; L179-S182 PolarHBondContact O-N 2.85Å; L179-S182 PolarHBondContact O-OG 3.45Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 2.87Å; S182-T189 WeakPolarHBondContact CA-OG1 3.48Å; S182-T189 PolarHBondContact N-OG1 2.95Å
183T87.4Confident89.5Confident119 Ų11974.1 Ų74.173%0.7343%0.426SS*.THydrogen-bonded Turntrans-81.3-19.3179.166.30000113.5A180 M181A180-T183 PolarHBondContact O-N 3.39Å; A180-T183 PolarHBondContact O-OG1 3.35Å; M181-T183 PolarHBondContact O-N 2.97Å; M181-T183 VanDerWaalsContact O-N 3.16Å
184I88Confident89.7Confident104 Ų10473.4 Ų73.453%0.53343%0.425SS..THydrogen-bonded Turntrans-98.6-60.1-172.8-59.1168.2000110.2M181M181-I184 HydrophobicContact CE-CD1 3.61Å; M181-I184 PolarHBondContact O-N 3.31Å; M181-I184 HydrophobicContact SD-CD1 4.13Å
185N87.8Confident89.9Confident97 Ų9775.7 Ų75.752%0.51944%0.437SS..  trans-147.6126.5-173-83.8-22.1000111.5M181 S188 T189M181-N185 PolarHBondContact O-N 3.36Å; M181-N185 VanDerWaalsContact O-N 3.08Å; N185-S188 VanDerWaalsContact CB-OG 3.27Å; N185-S188 WeakPolarHBondContact CB-OG 3.38Å; N185-S188 PolarHBondContact O-OG 3.31Å; N185-T189 PolarHBondContact O-N 3.39Å; N185-T189 PolarHBondContact O-OG1 2.99Å
186L87.6Confident90Very high146 Ų14676.1 Ų76.176%0.76443%0.433SS*.Hα-helixtrans-63.2-45.3177.5-159.583.6000114.3S188 T189 L190L186-S188 PolarHBondContact O-N 2.95Å; L186-T189 WeakPolarHBondContact O-CB 3.44Å; L186-T189 PolarHBondContact O-N 3.28Å; L186-L190 PolarHBondContact O-N 2.86Å; L186-L190 VanDerWaalsContact O-N 3.17Å
187P89.2Confident90.2Very high92 Ų9277 Ų7760%0.59743%0.433SS*.Hα-helixtrans-68.7-37-174.824.9-33.1000113T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.11Å; P187-L190 PolarHBondContact O-N 3.47Å; P187-I191 PolarHBondContact O-N 2.95Å
188S87.6Confident90.5Very high37 Ų3780.9 Ų80.926%0.25945%0.448SS..Hα-helixtrans-66.6-34.9174.350.70000112.1N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.27Å; N185-S188 WeakPolarHBondContact CB-OG 3.38Å; N185-S188 PolarHBondContact O-OG 3.31Å; L186-S188 PolarHBondContact O-N 2.95Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.3Å; S188-I191 PolarHBondContact O-N 2.61Å; S188-I192 WeakPolarHBondContact O-CG1 3.27Å; S188-I192 PolarHBondContact O-N 2.82Å; S188-I192 VanDerWaalsContact O-N 3.12Å
189T91.8Very high90.7Very high23 Ų2381.1 Ų81.114%0.14145%0.448CS..Hα-helixtrans-62.5-41.6175.8-59.10000111.4M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.85Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; S182-T189 WeakPolarHBondContact CA-OG1 3.48Å; S182-T189 PolarHBondContact N-OG1 2.95Å; N185-T189 PolarHBondContact O-N 3.39Å; N185-T189 PolarHBondContact O-OG1 2.99Å; L186-T189 WeakPolarHBondContact O-CB 3.44Å; L186-T189 PolarHBondContact O-N 3.28Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.11Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.16Å; T189-I192 PolarHBondContact O-N 2.96Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.49Å; T189-F193 PolarHBondContact O-N 3.49Å
190L91.4Very high90.8Very high119 Ų11977.5 Ų77.562%0.62343%0.431SS*.Hα-helixtrans-59.6-42.8176.9-163.984.1000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.86Å; L186-L190 VanDerWaalsContact O-N 3.17Å; P187-L190 PolarHBondContact O-N 3.47Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.3Å; L190-F193 PolarHBondContact O-N 2.98Å; L190-T194 WeakPolarHBondContact O-CG2 3.37Å; L190-T194 PolarHBondContact O-N 3.2Å; L190-T194 PolarHBondContact O-OG1 3.38Å
191I92.7Very high90.9Very high107 Ų10780.2 Ų80.255%0.54944%0.438SS..Hα-helixtrans-64.4-44.4179.2-62.8165.3000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.95Å; S188-I191 PolarHBondContact O-N 2.61Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.16Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.45Å; I191-T194 PolarHBondContact O-N 3.41Å; I191-T194 PolarHBondContact O-OG1 3.38Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 3.25Å
192I92.9Very high91.2Very high41 Ų4182 Ų8221%0.2145%0.448CS..Hα-helixtrans-70.4-33.5179.7-57.2166.6000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.79Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.65Å; S188-I192 WeakPolarHBondContact O-CG1 3.27Å; S188-I192 PolarHBondContact O-N 2.82Å; S188-I192 VanDerWaalsContact O-N 3.12Å; T189-I192 PolarHBondContact O-N 2.96Å; I192-I195 WeakPolarHBondContact O-CB 3.44Å; I192-I195 PolarHBondContact O-N 2.95Å; I192-L196 PolarHBondContact O-N 2.94Å
193F92.6Very high91.3Very high105 Ų10579.4 Ų79.446%0.46143%0.429SS..Hα-helixtrans-66.6-38.9175.4-173.5-106000112.7T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.49Å; T189-F193 PolarHBondContact O-N 3.49Å; L190-F193 PolarHBondContact O-N 2.98Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.45Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.88Å; F193-L196 HydrophobicContact CD2-CD2 4.41Å; F193-L196 WeakPolarHBondContact O-CB 3.05Å; F193-L196 PolarHBondContact O-N 3.39Å; F193-I197 HydrophobicContact CD1-CD1 3.81Å; F193-I197 HydrophobicContact CE1-CD1 3.48Å; F193-I197 VanDerWaalsContact CE1-CD1 3.48Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.1Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 PolarHBondContact O-N 3.13Å
194T93.5Very high91.5Very high75 Ų7577.9 Ų77.946%0.4642%0.416SS..Hα-helixtrans-64.9-37.2173.356.80000111.7L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.37Å; L190-T194 PolarHBondContact O-N 3.2Å; L190-T194 PolarHBondContact O-OG1 3.38Å; I191-T194 PolarHBondContact O-N 3.41Å; I191-T194 PolarHBondContact O-OG1 3.38Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-I197 PolarHBondContact O-N 2.98Å; T194-L198 PolarHBondContact O-N 3.48Å
195I94.3Very high91.7Very high83 Ų8375.1 Ų75.143%0.42641%0.408SS..Hα-helixtrans-62-42.1172.7-65.6166.4000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.03Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 3.25Å; I192-I195 WeakPolarHBondContact O-CB 3.44Å; I192-I195 PolarHBondContact O-N 2.95Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.88Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 2.75Å; I195-L198 PolarHBondContact O-N 2.88Å; I195-L199 WeakPolarHBondContact O-CB 3.48Å; I195-L199 PolarHBondContact O-N 2.84Å
196L93.3Very high91.8Very high32 Ų3272.4 Ų72.417%0.16840%0.395CS..Hα-helixtrans-59.9-43.7176.2-177.266.5000111.7I174 I192 F193 T194 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 2.94Å; F193-L196 HydrophobicContact CD2-CD2 4.41Å; F193-L196 WeakPolarHBondContact O-CB 3.05Å; F193-L196 PolarHBondContact O-N 3.39Å; T194-L196 VanDerWaalsContact C-N 3.34Å; L196-L199 PolarHBondContact O-N 3.47Å; L196-T200 WeakPolarHBondContact O-CG2 3.28Å; L196-T200 PolarHBondContact O-N 2.88Å
197I92.9Very high91.9Very high76 Ų7665.7 Ų65.739%0.3936%0.36SS..Hα-helixtrans-63.3-42.3176-67.1164.5000111.2F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.81Å; F193-I197 HydrophobicContact CE1-CD1 3.48Å; F193-I197 VanDerWaalsContact CE1-CD1 3.48Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.1Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 PolarHBondContact O-N 3.13Å; T194-I197 PolarHBondContact O-N 2.98Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 2.75Å; I197-L199 VanDerWaalsContact C-N 3.29Å; I197-L199 PolarHBondContact O-N 2.98Å; I197-T200 PolarHBondContact O-N 3.2Å; I197-T200 PolarHBondContact O-OG1 3.12Å; I197-I201 HydrophobicContact CG2-CD1 4.12Å; I197-I201 WeakPolarHBondContact O-CG1 3.13Å; I197-I201 PolarHBondContact O-N 3.17Å
198L94.7Very high91.9Very high121 Ų12166.7 Ų66.763%0.63436%0.36SS*.Hα-helixtrans-63.3-39.8178.2-175.564.5000111.3T194 I195 I201 L202T194-L198 PolarHBondContact O-N 3.48Å; I195-L198 PolarHBondContact O-N 2.88Å; L198-I201 PolarHBondContact O-N 3.45Å; L198-L202 PolarHBondContact O-N 3.43Å
199L93.3Very high92.1Very high23 Ų2369.5 Ų69.512%0.1237%0.372CS..Hα-helixtrans-64.3-42.1176.9-177.872.8000112.2L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.34Å; L170-L199 HydrophobicContact CD2-CD1 3.7Å; L170-L199 HydrophobicContact CD2-CD2 3.23Å; L170-L199 HydrophobicContact CD2-CG 4.08Å; L170-L199 HydrophobicContact CG-CD2 4.37Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.15Å; I174-L199 HydrophobicContact CD1-CD2 4.15Å; I195-L199 WeakPolarHBondContact O-CB 3.48Å; I195-L199 PolarHBondContact O-N 2.84Å; L196-L199 PolarHBondContact O-N 3.47Å; I197-L199 VanDerWaalsContact C-N 3.29Å; I197-L199 PolarHBondContact O-N 2.98Å; L199-I201 VanDerWaalsContact C-N 3.31Å; L199-I201 PolarHBondContact O-N 3.35Å; L199-L202 HydrophobicContact CD1-CD2 4.49Å; L199-L202 WeakPolarHBondContact O-CB 2.98Å; L199-L202 PolarHBondContact O-N 3.02Å; L199-E203 PolarHBondContact O-N 3.43Å
200T91.3Very high92Very high52 Ų5268.9 Ų68.932%0.31937%0.367SS..Hα-helixtrans-64.3-38.1178.557.40000111.5M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.81Å; L196-T200 WeakPolarHBondContact O-CG2 3.28Å; L196-T200 PolarHBondContact O-N 2.88Å; I197-T200 PolarHBondContact O-N 3.2Å; I197-T200 PolarHBondContact O-OG1 3.12Å; T200-E203 PolarHBondContact O-N 3.03Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.3Å; T200-I204 PolarHBondContact O-N 3.03Å
201I92.6Very high91.9Very high103 Ų10363.3 Ų63.353%0.52834%0.338SS..Hα-helixtrans-62.5-44.2173.7-65.5167.1000110.8I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.12Å; I197-I201 WeakPolarHBondContact O-CG1 3.13Å; I197-I201 PolarHBondContact O-N 3.17Å; L198-I201 PolarHBondContact O-N 3.45Å; L199-I201 VanDerWaalsContact C-N 3.31Å; L199-I201 PolarHBondContact O-N 3.35Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.48Å; I201-I204 PolarHBondContact O-N 3.14Å; I201-A205 PolarHBondContact O-N 3.07Å
202L92.1Very high91.7Very high100 Ų10063 Ų6352%0.52433%0.33SS..Hα-helixtrans-59.6-45.3176.1179.367.1000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.43Å; L199-L202 HydrophobicContact CD1-CD2 4.49Å; L199-L202 WeakPolarHBondContact O-CB 2.98Å; L199-L202 PolarHBondContact O-N 3.02Å; L202-I204 PolarHBondContact O-N 3.2Å; L202-A205 WeakPolarHBondContact O-CB 3.22Å; L202-A205 PolarHBondContact O-N 2.91Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.34Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.33Å; L202-V206 PolarHBondContact O-N 3.49Å
203E90.9Very high91.6Very high13 Ų1362.9 Ų62.96%0.06133%0.332CS..Hα-helixtrans-66.7-37-177.1-162.465.3-160.400112L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.4Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.39Å; G167-E203 WeakPolarHBondContact CA-OE2 3.46Å; M171-E203 HydrophobicContact CE-CG 4.14Å; L199-E203 PolarHBondContact O-N 3.43Å; T200-E203 PolarHBondContact O-N 3.03Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.48Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.32Å; E203-V206 PolarHBondContact O-N 3.01Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.28Å; E203-A207 PolarHBondContact O-N 2.78Å
204I90.9Very high91.3Very high87 Ų8757.9 Ų57.945%0.44631%0.31SS..Hα-helixtrans-59.6-43.1171.8-67.1164.8000110.6L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.19Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.3Å; T200-I204 PolarHBondContact O-N 3.03Å; I201-I204 PolarHBondContact O-N 3.14Å; L202-I204 PolarHBondContact O-N 3.2Å; I204-L208 PolarHBondContact O-N 2.65Å
205A91.7Very high91.1Very high45 Ų4554.3 Ų54.337%0.37229%0.288SS..Hα-helixtrans-65.6-45.7177.100000111.6I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.07Å; L202-A205 WeakPolarHBondContact O-CB 3.22Å; L202-A205 PolarHBondContact O-N 2.91Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.32Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.37Å; A205-L208 PolarHBondContact O-N 3.46Å; A205-I209 WeakPolarHBondContact O-CB 3.32Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 3.21Å
206V91.6Very high90.8Very high40 Ų4053.2 Ų53.224%0.24228%0.283CS..Hα-helixtrans-61.2-42.3178.2172.70000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.08Å; L202-V206 HydrophobicContact CD1-CG2 4.34Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.33Å; L202-V206 PolarHBondContact O-N 3.49Å; E203-V206 PolarHBondContact O-N 3.01Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.45Å; V206-I209 PolarHBondContact O-N 2.82Å; V206-Q210 WeakPolarHBondContact O-CB 3.42Å; V206-Q210 PolarHBondContact O-N 3.4Å
207A89.3Confident90.5Very high5 Ų553.4 Ų53.44%0.04128%0.284CS..Hα-helixtrans-57.4-41.9178.100000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 3.19Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.28Å; E203-A207 PolarHBondContact O-N 2.78Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.37Å; A207-A211 PolarHBondContact O-N 2.95Å
208L89.1Confident90.2Very high114 Ų11450.1 Ų50.160%0.59727%0.267SS*.Hα-helixtrans-76.2-43.8179.4-169.2146.3000112I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.65Å; A205-L208 PolarHBondContact O-N 3.46Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.45Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 2.91Å; L208-A211 PolarHBondContact O-N 3.31Å; L208-Y212 PolarHBondContact O-N 3.32Å; L208-Y212 VanDerWaalsContact O-N 3.16Å
209I90.9Very high89.8Confident96 Ų9644.9 Ų44.949%0.49224%0.241SC..Hα-helixtrans-60.9-41177-68.8166.6000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.32Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 3.21Å; V206-I209 PolarHBondContact O-N 2.82Å; I209-A211 PolarHBondContact O-N 2.95Å; I209-Y212 WeakPolarHBondContact O-CB 3.45Å; I209-Y212 PolarHBondContact O-N 3.06Å; I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; I209-V213 PolarHBondContact O-N 3.32Å
210Q89.1Confident89.3Confident10 Ų1047.4 Ų47.45%0.04725%0.254CS..Hα-helixtrans-66.8-38-177.7-173.663.59.600112.1R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å; L160-Q210 VanDerWaalsContact CA-NE2 3.26Å; L160-Q210 HydrophobicContact CB-CG 4.24Å; L160-Q210 HydrophobicContact CD1-CB 4.35Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.4Å; V206-Q210 WeakPolarHBondContact O-CB 3.42Å; V206-Q210 PolarHBondContact O-N 3.4Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 2.91Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 WeakPolarHBondContact O-CB 3.43Å; Q210-F214 PolarHBondContact O-N 3.38Å
211A89.6Confident88.8Confident1 Ų145.9 Ų45.91%0.00824%0.242CC..Hα-helixtrans-61.2-44.2171.900000111.2I76 I79 A80 A207 L208 I209 F214 T215I76-A211 HydrophobicContact CG1-CB 4.48Å; I79-A211 HydrophobicContact CB-CB 4.06Å; I79-A211 HydrophobicContact CG2-CB 3.77Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 2.95Å; L208-A211 PolarHBondContact O-N 3.31Å; I209-A211 PolarHBondContact O-N 2.95Å; A211-F214 PolarHBondContact O-N 3.22Å; A211-T215 VanDerWaalsContact O-CG2 3.24Å; A211-T215 WeakPolarHBondContact O-CG2 3.45Å; A211-T215 PolarHBondContact O-N 2.85Å; A211-T215 PolarHBondContact O-OG1 2.92Å
212Y89.8Confident88.2Confident100 Ų10041 Ų4139%0.39222%0.218SC..Hα-helixtrans-62.5-51.5176.9177.5-101.6000112.3M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.47Å; I76-Y212 HydrophobicContact CD1-CD2 4.16Å; L208-Y212 PolarHBondContact O-N 3.32Å; L208-Y212 VanDerWaalsContact O-N 3.16Å; I209-Y212 WeakPolarHBondContact O-CB 3.45Å; I209-Y212 PolarHBondContact O-N 3.06Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.41Å; Y212-T215 PolarHBondContact O-N 3.43Å; Y212-T215 PolarHBondContact O-OG1 2.99Å; Y212-L216 HydrophobicContact CE1-CD1 3.61Å; Y212-L216 HydrophobicContact CE2-CD1 4.45Å; Y212-L216 WeakPolarHBondContact O-CB 3.43Å; Y212-L216 PolarHBondContact O-N 3.46Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å
213V89.9Confident87.7Confident40 Ų4040.5 Ų40.524%0.24221%0.212CC..Hα-helixtrans-60.8-38.6-179.9172.40000111.5I209 L217I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; I209-V213 PolarHBondContact O-N 3.32Å; V213-L217 HydrophobicContact CG1-CD1 3.88Å; V213-L217 WeakPolarHBondContact O-CG 3.37Å; V213-L217 PolarHBondContact O-N 3.24Å; V213-L217 VanDerWaalsContact O-N 3.09Å
214F87.5Confident87.1Confident0 Ų043.2 Ų43.20%023%0.227CC..Hα-helixtrans-57.4-53.8175.9-171.6-74.1000110.8L75 I79 A105 L108 L156 L160 Q210 A211 Y212 L217 V218L75-F214 HydrophobicContact CD2-CD1 3.64Å; L75-F214 HydrophobicContact CD2-CE1 3.62Å; L75-F214 HydrophobicContact CG-CE1 4.5Å; I79-F214 HydrophobicContact CD1-CB 4.23Å; I79-F214 HydrophobicContact CD1-CD1 3.52Å; I79-F214 HydrophobicContact CD1-CD2 4.31Å; I79-F214 HydrophobicContact CD1-CE1 3.92Å; I79-F214 HydrophobicContact CD1-CG 3.76Å; I79-F214 HydrophobicContact CD1-CZ 4.44Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.05Å; L108-F214 HydrophobicContact CD1-CE1 4.16Å; L156-F214 HydrophobicContact CD1-CD2 4.31Å; L156-F214 HydrophobicContact CD2-CD1 3.93Å; L156-F214 HydrophobicContact CD2-CD2 3.35Å; L156-F214 HydrophobicContact CD2-CE1 3.73Å; L156-F214 HydrophobicContact CD2-CE2 3.16Å; L156-F214 HydrophobicContact CD2-CG 3.75Å; L156-F214 HydrophobicContact CD2-CZ 3.37Å; L156-F214 HydrophobicContact CG-CD2 3.49Å; L156-F214 VanDerWaalsContact CG-CD2 3.49Å; L156-F214 HydrophobicContact CG-CE2 3.66Å; L156-F214 HydrophobicContact CG-CG 4.09Å; L156-F214 HydrophobicContact CG-CZ 4.35Å; L160-F214 HydrophobicContact CD2-CD2 4.42Å; Q210-F214 WeakPolarHBondContact O-CB 3.43Å; Q210-F214 PolarHBondContact O-N 3.38Å; A211-F214 PolarHBondContact O-N 3.22Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.41Å; F214-L217 PolarHBondContact O-N 3.18Å; F214-V218 HydrophobicContact CD1-CG2 4.23Å; F214-V218 HydrophobicContact CE1-CG2 4.03Å; F214-V218 WeakPolarHBondContact O-CG2 3.42Å; F214-V218 PolarHBondContact O-N 3.18Å
215T88.9Confident86.3Confident0 Ų040.5 Ų40.50%021%0.214CC..Hα-helixtrans-69.5-36-17660.10000112.8M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.35Å; L75-T215 HydrophobicContact CB-CG2 4.31Å; L75-T215 HydrophobicContact CD2-CG2 3.64Å; L75-T215 HydrophobicContact CG-CG2 4.19Å; I76-T215 VanDerWaalsContact CA-CG2 3.45Å; I76-T215 HydrophobicContact CB-CG2 3.45Å; I76-T215 VanDerWaalsContact CB-CG2 3.45Å; I76-T215 HydrophobicContact CG1-CG2 4Å; A211-T215 VanDerWaalsContact O-CG2 3.24Å; A211-T215 WeakPolarHBondContact O-CG2 3.45Å; A211-T215 PolarHBondContact O-N 2.85Å; A211-T215 PolarHBondContact O-OG1 2.92Å; Y212-T215 PolarHBondContact O-N 3.43Å; Y212-T215 PolarHBondContact O-OG1 2.99Å; T215-V218 PolarHBondContact O-N 3.16Å; T215-S219 WeakPolarHBondContact O-CB 3.41Å; T215-S219 PolarHBondContact O-N 2.99Å
216L88.1Confident85.2Confident60 Ų6040 Ų4031%0.31421%0.206SC..Hα-helixtrans-63.6-44.6176.7-175.6148.7000111.3Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.61Å; Y212-L216 HydrophobicContact CE2-CD1 4.45Å; Y212-L216 WeakPolarHBondContact O-CB 3.43Å; Y212-L216 PolarHBondContact O-N 3.46Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.2Å; L216-S219 PolarHBondContact O-N 3.12Å; L216-S219 VanDerWaalsContact O-N 3.16Å; L216-S219 PolarHBondContact O-OG 3.22Å; L216-L220 WeakPolarHBondContact O-CB 3.37Å; L216-L220 PolarHBondContact O-N 3.32Å
217L86.4Confident84.8Confident36 Ų3640.1 Ų40.119%0.18820%0.204CC..Hα-helixtrans-63.2-43177.6-76.4166.3000111.6L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.83Å; L156-L217 HydrophobicContact CD1-CD1 3.36Å; L156-L217 HydrophobicContact CD1-CG 4.22Å; V213-L217 HydrophobicContact CG1-CD1 3.88Å; V213-L217 WeakPolarHBondContact O-CG 3.37Å; V213-L217 PolarHBondContact O-N 3.24Å; V213-L217 VanDerWaalsContact O-N 3.09Å; F214-L217 PolarHBondContact O-N 3.18Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.82Å; L217-L220 PolarHBondContact O-N 3.24Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.39Å; L217-Y221 WeakPolarHBondContact O-CE2 3.4Å; L217-Y221 PolarHBondContact O-N 3.34Å
218V85.7Confident84.6Confident6 Ų641.9 Ų41.94%0.03621%0.213CC..Hα-helixtrans-59.4-41.1173.3177.40000111.3L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.89Å; L108-V218 HydrophobicContact CB-CG1 4.32Å; L156-V218 HydrophobicContact CD2-CG2 4.31Å; F214-V218 HydrophobicContact CD1-CG2 4.23Å; F214-V218 HydrophobicContact CE1-CG2 4.03Å; F214-V218 WeakPolarHBondContact O-CG2 3.42Å; F214-V218 PolarHBondContact O-N 3.18Å; T215-V218 PolarHBondContact O-N 3.16Å; V218-Y221 PolarHBondContact O-N 3.38Å; V218-L222 PolarHBondContact O-N 3.08Å
219S86.1Confident84.3Confident12 Ų1237.9 Ų37.98%0.08419%0.192CC..Hα-helixtrans-66.2-38.1177.185.70000112.3H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 2.94Å; T215-S219 WeakPolarHBondContact O-CB 3.41Å; T215-S219 PolarHBondContact O-N 2.99Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.2Å; L216-S219 PolarHBondContact O-N 3.12Å; L216-S219 VanDerWaalsContact O-N 3.16Å; L216-S219 PolarHBondContact O-OG 3.22Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.82Å; S219-L222 WeakPolarHBondContact O-CB 3.48Å; S219-L222 PolarHBondContact O-N 3.47Å; S219-H223 PolarHBondContact O-N 3.36Å
220L84.2Confident84Confident76 Ų7634.5 Ų34.540%0.39817%0.174SC..Hα-helixtrans-66.2-41.4177-171.1147.7000110.9L216 L217 L222 H223 D224L216-L220 WeakPolarHBondContact O-CB 3.37Å; L216-L220 PolarHBondContact O-N 3.32Å; L217-L220 PolarHBondContact O-N 3.24Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 2.95Å; L220-H223 WeakPolarHBondContact O-CA 3.48Å; L220-H223 WeakPolarHBondContact O-CB 3.42Å; L220-H223 PolarHBondContact O-N 3.49Å; L220-H223 VanDerWaalsContact O-N 3.07Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.32Å; L220-D224 PolarHBondContact O-N 3.01Å
221Y79.7Confident83.6Confident20 Ų2036 Ų368%0.07818%0.182CC..Hα-helixtrans-61.1-38.7172.3-60.9-45.9000112.5Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.34Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.35Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.28Å; Q152-Y221 PolarHBondContact NE2-OH 2.88Å; Q152-Y221 VanDerWaalsContact OE1-CZ 3.32Å; Q152-Y221 PolarHBondContact OE1-OH 3.48Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.39Å; L217-Y221 WeakPolarHBondContact O-CE2 3.4Å; L217-Y221 PolarHBondContact O-N 3.34Å; V218-Y221 PolarHBondContact O-N 3.38Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.41Å; Y221-N225 VanDerWaalsContact O-N 3.11Å; Y221-N225 PolarHBondContact O-ND2 3.29Å
222L81.6Confident83.2Confident1 Ų138.3 Ų38.31%0.00519%0.193CC..Hα-helixtrans-64.5-41175.2-169.972.6000110.7W68 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 3.64Å; W68-L222 HydrophobicContact CD2-CD2 3.91Å; W68-L222 HydrophobicContact CD2-CG 4.44Å; W68-L222 HydrophobicContact CE3-CD1 3.74Å; W68-L222 HydrophobicContact CE3-CD2 4.09Å; W68-L222 HydrophobicContact CE3-CG 4.48Å; W68-L222 HydrophobicContact CG-CD1 4.06Å; W68-L222 HydrophobicContact CG-CD2 3.61Å; W68-L222 HydrophobicContact CZ2-CD1 4.38Å; W68-L222 HydrophobicContact CZ3-CD1 4.18Å; A112-L222 HydrophobicContact CB-CD1 4.48Å; M115-L222 HydrophobicContact SD-CD1 4.18Å; V218-L222 PolarHBondContact O-N 3.08Å; S219-L222 WeakPolarHBondContact O-CB 3.48Å; S219-L222 PolarHBondContact O-N 3.47Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 2.95Å; L222-N225 PolarHBondContact O-N 3.48Å; L222-T226 HydrophobicContact CD1-CG2 4.3Å; L222-T226 HydrophobicContact CG-CG2 4.25Å; L222-T226 WeakPolarHBondContact O-CB 3.27Å; L222-T226 WeakPolarHBondContact O-CG2 3.27Å; L222-T226 PolarHBondContact O-N 2.8Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.17Å
223H81.4Confident82.8Confident88 Ų8833.9 Ų33.941%0.40718%0.179SC..Hα-helixtrans-59.6-52.1175.9-174.784.4000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.4Å; M60-H223 PolarHBondContact O-ND1 3.32Å; S219-H223 PolarHBondContact O-N 3.36Å; L220-H223 WeakPolarHBondContact O-CA 3.48Å; L220-H223 WeakPolarHBondContact O-CB 3.42Å; L220-H223 PolarHBondContact O-N 3.49Å; L220-H223 VanDerWaalsContact O-N 3.07Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.12Å; H223-T226 PolarHBondContact O-N 3.38Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.48Å
224D77.4Confident82.2Confident71 Ų7133.5 Ų33.538%0.3817%0.174SC..Hα-helixtrans-61.1-31.4-179.1-64.9-16.7000112.6L220L220-D224 WeakPolarHBondContact CD2-OD2 3.32Å; L220-D224 PolarHBondContact O-N 3.01Å
225N73.4Confident81.8Confident30 Ų3036.3 Ų36.316%0.1619%0.189CC..THydrogen-bonded Turntrans-90.3-2.1179.7-74.5-68.6000114.4G116 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.5Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.41Å; Y221-N225 VanDerWaalsContact O-N 3.11Å; Y221-N225 PolarHBondContact O-ND2 3.29Å; L222-N225 PolarHBondContact O-N 3.48Å; H223-N225 PolarHBondContact O-N 3.12Å
226T68.4Low81.1Confident35 Ų3539.5 Ų39.522%0.21521%0.206CC..  trans-106.80-177.853.30000115.1K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.39Å; K120-T226 PolarHBondContact NZ-O 3.47Å; K120-T226 PolarHBondContact NZ-OXT 3.12Å; L222-T226 HydrophobicContact CD1-CG2 4.3Å; L222-T226 HydrophobicContact CG-CG2 4.25Å; L222-T226 WeakPolarHBondContact O-CB 3.27Å; L222-T226 WeakPolarHBondContact O-CG2 3.27Å; L222-T226 PolarHBondContact O-N 2.8Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.17Å; H223-T226 PolarHBondContact O-N 3.38Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.48Å

Retrieved 226 of 226 residues in 105.4 ms (Link to these results)

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