A0A059S7N3_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A059S7N3, 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
1M44.1Very low73Confident225 Ų225102.5 Ų102.5100%1.10855%0.552SS**  01260-70.5162.3102.500106.2E3M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.35Å
2N50Low73.9Confident166 Ų16697.3 Ų97.389%0.88853%0.527SS*.  trans-65.695.4169.2-106.515.3000106.1N4N2-N4 PolarHBondContact O-N 3.41Å
3E60.7Low74.9Confident123 Ų12397.5 Ų97.558%0.57553%0.534SS*.  trans-65.1123.6170.8-66.6-144.7159.300107.5M1 L5 H172M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.35Å; E3-L5 PolarHBondContact O-N 3.34Å; E3-H172 IonicContact OE2-CE1 3.81Å
4N77.5Confident75.8Confident129 Ų12998.4 Ų98.469%0.6954%0.536SS*.  trans-73.476.5177.6-72.8-22.6000108.8N2 F6 A7N2-N4 PolarHBondContact O-N 3.41Å; N4-F6 PolarHBondContact O-N 3.4Å; N4-A7 HydrophobicContact CB-CB 3.88Å; N4-A7 VanDerWaalsContact O-CB 3.23Å; N4-A7 WeakPolarHBondContact O-CB 3.09Å; N4-A7 PolarHBondContact O-N 3.35Å
5L76.6Confident76.4Confident44 Ų44103.4 Ų103.423%0.2356%0.561CS.*THydrogen-bonded Turntrans-53.4-27.8175.3-63.7175.4000112E3 L169 H172 L173E3-L5 PolarHBondContact O-N 3.34Å; L5-L169 HydrophobicContact CB-CD2 4.24Å; L5-H172 VanDerWaalsContact CD2-CE1 3.44Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.45Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.12Å; L5-L173 HydrophobicContact CD1-CD2 3.81Å; L5-L173 HydrophobicContact CD2-CD2 4.38Å
6F82.2Confident76.9Confident135 Ų135101.4 Ų101.459%0.59257%0.572SS**THydrogen-bonded Turntrans-88.1-4.9-179.9-64.2-77.4000114.7N4 S8 F9 L169N4-F6 PolarHBondContact O-N 3.4Å; F6-S8 PolarHBondContact O-N 2.75Å; F6-F9 AromaticContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CE2 4.3Å; F6-F9 PolarHBondContact O-N 3.47Å; F6-L169 HydrophobicContact CD1-CD2 4.46Å; F6-L169 HydrophobicContact CE1-CD1 4.05Å; F6-L169 HydrophobicContact CE1-CD2 4.14Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å
7A80.3Confident77.4Confident53 Ų53102.9 Ų102.944%0.43858%0.578SS.*G310 helixtrans-59.9-33.2-17800000112.4N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.88Å; N4-A7 VanDerWaalsContact O-CB 3.23Å; N4-A7 WeakPolarHBondContact O-CB 3.09Å; N4-A7 PolarHBondContact O-N 3.35Å; A7-F9 PolarHBondContact O-N 3.37Å; A7-I10 PolarHBondContact O-N 3.18Å
8S80Confident77.8Confident59 Ų59101.4 Ų101.441%0.41357%0.573SS.*G310 helixtrans-67-21.3177.155.80000113.9F6 F92F6-S8 PolarHBondContact O-N 2.75Å; S8-F92 WeakPolarHBondContact O-CD2 3.4Å
9F83Confident78.3Confident21 Ų2197.1 Ų97.19%0.09255%0.551CS.*G310 helixtrans-92.6-10.1178.5-57.4-67.6000113.1F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CE2 4.3Å; F6-F9 PolarHBondContact O-N 3.47Å; A7-F9 PolarHBondContact O-N 3.37Å; F9-A11 PolarHBondContact O-N 2.93Å; F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; F9-Q97 PolarHBondContact O-NE2 2.99Å; F9-T165 HydrophobicContact CD1-CG2 4.41Å; F9-T165 HydrophobicContact CE1-CG2 4.12Å; F9-H168 HydrophobicContact CE1-CB 4.09Å; F9-H168 HydrophobicContact CZ-CB 3.85Å; F9-L169 HydrophobicContact CE2-CD1 4.39Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.35Å; F9-L169 HydrophobicContact CZ-CG 3.94Å
10I84.9Confident78.7Confident122 Ų12293.1 Ų93.163%0.62653%0.53SS*.SBendtrans-69.6128.5178.4-59.7173.8000108.4A7 P12A7-I10 PolarHBondContact O-N 3.18Å; I10-P12 WeakPolarHBondContact O-CD 3.39Å
11A83.4Confident79Confident51 Ų5192.5 Ų92.542%0.42153%0.529SS..PPolyproline II helixtrans-58.1120.9179.900000110.2F9 T13 F92F9-A11 PolarHBondContact O-N 2.93Å; A11-T13 PolarHBondContact O-N 3.41Å; A11-F92 HydrophobicContact CB-CZ 4.48Å
12P84.1Confident81Confident39 Ų3987.9 Ų87.925%0.25351%0.508SS..PPolyproline II helixtrans-70.8128.3-174.126.7-33.1000110.1I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.39Å; P12-A19 HydrophobicContact CB-CB 4.21Å; P12-A19 HydrophobicContact CG-CB 4.3Å; P12-A19 WeakPolarHBondContact O-CB 3.35Å; P12-A19 PolarHBondContact O-N 3.44Å; P12-I23 HydrophobicContact CG-CD1 3.67Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.1Å
13T87.2Confident82.8Confident101 Ų10182.5 Ų82.562%0.6248%0.478SS*.EExtended strand (participates in β ladder)trans-118.4125.8170.553.10000108.5A11 L17A11-T13 PolarHBondContact O-N 3.41Å; T13-L17 CarbonylContact C-O 3.56Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.45Å
14I87.1Confident84.2Confident110 Ų11079.1 Ų79.156%0.56446%0.464SS*.EExtended strand (participates in β ladder)trans-111.9122.3176.3-63.8172.4000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 3.48Å; I14-G16 VanDerWaalsContact O-N 3.13Å; I14-L17 PolarHBondContact N-O 3.36Å; I14-L17 PolarHBondContact O-N 2.95Å; I14-A19 HydrophobicContact CB-CB 4.45Å; I14-A19 HydrophobicContact CD1-CB 3.83Å; I14-A19 HydrophobicContact CG1-CB 3.91Å
15L85.8Confident84.7Confident173 Ų17378.6 Ų78.691%0.90646%0.46SS*.THydrogen-bonded Turntrans54.332.3179.4-71.9148.8000113.6L17L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.97Å
16G84.3Confident85.3Confident72 Ų7281.1 Ų81.174%0.74247%0.47SS*.THydrogen-bonded Turntrans80-3-177.600000115.2I14I14-G16 PolarHBondContact O-N 3.48Å; I14-G16 VanDerWaalsContact O-N 3.13Å
17L84.5Confident85.6Confident126 Ų12674.9 Ų74.966%0.6644%0.443SS*.EExtended strand (participates in β ladder)trans-92.9140.1173.1-67168.6000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.56Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.45Å; I14-L17 PolarHBondContact N-O 3.36Å; I14-L17 PolarHBondContact O-N 2.95Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.97Å; L17-A19 PolarHBondContact O-N 3.1Å
18P85.6Confident85.8Confident77 Ų7775.7 Ų75.750%0.544%0.443SS..EExtended strand (participates in β ladder)trans-71101.3177.829-33.5000110.5A20 V21P18-A20 PolarHBondContact O-N 3.28Å; P18-V21 HydrophobicContact CB-CG2 4.45Å; P18-V21 HydrophobicContact CG-CG2 4.2Å; P18-V21 PolarHBondContact O-N 2.99Å
19A86.2Confident86.2Confident18 Ų1879.2 Ų79.215%0.14946%0.457CS..THydrogen-bonded Turntrans-67.5-17.8176.900000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.21Å; P12-A19 HydrophobicContact CG-CB 4.3Å; P12-A19 WeakPolarHBondContact O-CB 3.35Å; P12-A19 PolarHBondContact O-N 3.44Å; I14-A19 HydrophobicContact CB-CB 4.45Å; I14-A19 HydrophobicContact CD1-CB 3.83Å; I14-A19 HydrophobicContact CG1-CB 3.91Å; L17-A19 PolarHBondContact O-N 3.1Å; A19-V21 PolarHBondContact O-N 3.18Å; A19-L22 PolarHBondContact O-N 2.95Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 2.99Å
20A86Confident86.5Confident17 Ų1782 Ų8214%0.1447%0.473CS..Hα-helixtrans-53.1-33.7173.500000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.28Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.25Å; A20-I23 PolarHBondContact O-N 2.76Å; A20-I24 WeakPolarHBondContact O-CD1 3.42Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.47Å; A20-F92 HydrophobicContact CB-CE1 4.29Å
21V85.9Confident86.6Confident82 Ų8278.6 Ų78.650%0.49746%0.455SS..Hα-helixtrans-63.3-42178.81800000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.45Å; P18-V21 HydrophobicContact CG-CG2 4.2Å; P18-V21 PolarHBondContact O-N 2.99Å; A19-V21 PolarHBondContact O-N 3.18Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.38Å; V21-I24 PolarHBondContact O-N 3.42Å; V21-L25 HydrophobicContact CG1-CD1 4.16Å; V21-L25 WeakPolarHBondContact O-CG 3.45Å; V21-L25 PolarHBondContact O-N 3.04Å; V21-L25 VanDerWaalsContact O-N 3.1Å
22L86.4Confident86.8Confident127 Ų12778.7 Ų78.767%0.66545%0.451SS*.Hα-helixtrans-66.2-38.5179-168.1147.1000111A19 A20 L25 F26A19-L22 PolarHBondContact O-N 2.95Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.25Å; L22-L25 PolarHBondContact O-N 3.43Å; L22-F26 PolarHBondContact O-N 3.45Å
23I88.1Confident87Confident53 Ų5383 Ų8327%0.27248%0.477SS..Hα-helixtrans-66-41.2177.2-58.9171.9000110.8P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.67Å; A19-I23 PolarHBondContact O-N 2.99Å; A20-I23 PolarHBondContact O-N 2.76Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.38Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.22Å; I23-F26 WeakPolarHBondContact O-CB 3.12Å; I23-F26 PolarHBondContact O-N 2.93Å; I23-P27 VanDerWaalsContact O-CD 3.3Å; I23-P27 WeakPolarHBondContact O-CD 3.3Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.86Å; I23-F92 HydrophobicContact CD1-CG 4.31Å; I23-F92 HydrophobicContact CG2-CD1 4.42Å; I23-F92 WeakPolarHBondContact CG2-O 3.31Å
24I88.8Confident87Confident53 Ų5380.1 Ų80.127%0.27246%0.461SS..Hα-helixtrans-65-32.5176.6-69.1162.9000111.9A20 V21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 3.42Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.47Å; V21-I24 PolarHBondContact O-N 3.42Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 2.93Å; I24-F78 HydrophobicContact CG2-CZ 4.37Å; I24-P94 HydrophobicContact CD1-CB 4.32Å; I24-P94 HydrophobicContact CG1-CB 3.72Å; I24-P94 HydrophobicContact CG1-CG 4.11Å; I24-M100 HydrophobicContact CD1-CE 4.22Å; I24-M100 HydrophobicContact CD1-SD 3.6Å; I24-M100 VanDerWaalsContact CD1-SD 3.6Å; I24-M100 HydrophobicContact CG1-CE 4.02Å; I24-M100 HydrophobicContact CG1-SD 3.9Å; I24-M100 HydrophobicContact CG2-CE 3.92Å
25L87.6Confident86.9Confident118 Ų11885 Ų8562%0.61848%0.478SS*.Hα-helixtrans-81.2-10.6178.5-72.1171.9000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.16Å; V21-L25 WeakPolarHBondContact O-CG 3.45Å; V21-L25 PolarHBondContact O-N 3.04Å; V21-L25 VanDerWaalsContact O-N 3.1Å; L22-L25 PolarHBondContact O-N 3.43Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.22Å; L25-P28 WeakPolarHBondContact O-CD 3.26Å
26F89.1Confident87Confident96 Ų9685.6 Ų85.642%0.42147%0.47SS..Hα-helixtrans-70.9-43.4-176.7-168.9-93.9000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.45Å; I23-F26 WeakPolarHBondContact O-CB 3.12Å; I23-F26 PolarHBondContact O-N 2.93Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.25Å; F26-L29 PolarHBondContact O-N 3.07Å; F26-L30 HydrophobicContact CD1-CD1 4.26Å; F26-L30 HydrophobicContact CD1-CG 4.45Å; F26-L30 HydrophobicContact CE1-CD1 4.02Å; F26-L30 HydrophobicContact CE1-CD2 4.08Å; F26-L30 HydrophobicContact CE1-CG 4.12Å; F26-L30 HydrophobicContact CZ-CD2 4.45Å; F26-L85 HydrophobicContact CD1-CD2 3.32Å; F26-L85 HydrophobicContact CE1-CD2 3.59Å
27P88.9Confident86.8Confident4 Ų490.7 Ų90.73%0.02648%0.479CS..Hα-helixtrans-56.9-41.6-178.8-15.321.2000115.2I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.3Å; I23-P27 WeakPolarHBondContact O-CD 3.3Å; I24-P27 WeakPolarHBondContact O-CD 2.93Å; P27-L29 PolarHBondContact O-N 3.47Å; P27-L30 WeakPolarHBondContact O-CB 3.29Å; P27-L30 PolarHBondContact O-N 3.28Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P27-T81 WeakPolarHBondContact CB-OG1 3.41Å; P27-T82 HydrophobicContact CB-CG2 4.28Å; P27-T82 HydrophobicContact CG-CG2 3.52Å
28P85.3Confident86.9Confident70 Ų7092.1 Ų92.146%0.45549%0.486SS..Hα-helixtrans-55.9-32.1173.6-27.233.3000114.4L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.26Å; P28-L30 PolarHBondContact O-N 3.01Å; P28-I31 PolarHBondContact O-N 3.28Å
29L88.5Confident87.2Confident134 Ų13489.6 Ų89.670%0.70247%0.468SS*.Hα-helixtrans-68.7-25.2179.9-172.664.4000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.25Å; F26-L29 PolarHBondContact O-N 3.07Å; P27-L29 PolarHBondContact O-N 3.47Å; L29-I31 PolarHBondContact O-N 3.15Å
30L88Confident87.4Confident80 Ų8094 Ų9442%0.41949%0.489SS..THydrogen-bonded Turntrans-75.4-5.4179-64.5172.8000113.7F26 P27 P28 P32 L85F26-L30 HydrophobicContact CD1-CD1 4.26Å; F26-L30 HydrophobicContact CD1-CG 4.45Å; F26-L30 HydrophobicContact CE1-CD1 4.02Å; F26-L30 HydrophobicContact CE1-CD2 4.08Å; F26-L30 HydrophobicContact CE1-CG 4.12Å; F26-L30 HydrophobicContact CZ-CD2 4.45Å; P27-L30 WeakPolarHBondContact O-CB 3.29Å; P27-L30 PolarHBondContact O-N 3.28Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P28-L30 PolarHBondContact O-N 3.01Å; L30-P32 VanDerWaalsContact C-CD 3.42Å; L30-P32 WeakPolarHBondContact O-CD 3.45Å; L30-L85 HydrophobicContact CD1-CD1 3.31Å; L30-L85 HydrophobicContact CD1-CD2 3.97Å; L30-L85 HydrophobicContact CD1-CG 4.18Å
31I88.5Confident87.6Confident49 Ų49103.3 Ų103.325%0.25152%0.521SS..SBendtrans-109.778.9-174.1-58170.2000107.9P28 L29 Q46 I77P28-I31 PolarHBondContact O-N 3.28Å; L29-I31 PolarHBondContact O-N 3.15Å; I31-Q46 VanDerWaalsContact CG2-CD 3.5Å; I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.44Å
32P87.2Confident87.8Confident53 Ų53103.9 Ų103.934%0.34452%0.52SS..  trans-68.4140.2-178.128.1-34.7000111.2L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.42Å; L30-P32 WeakPolarHBondContact O-CD 3.45Å; P32-L42 HydrophobicContact CG-CD2 3.63Å; P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CB-CG1 4.4Å; P32-I43 HydrophobicContact CG-CD1 4.41Å; P32-I43 HydrophobicContact CG-CG1 3.92Å
33T87.2Confident88Confident131 Ų13198.7 Ų98.780%0.80449%0.493SS*.  trans-106.4133.5171.359.80000110
34S87.6Confident88.2Confident39 Ų3999.1 Ų99.127%0.27350%0.498SS..  trans-112.7145.8171.8168.10000110.8Y36 N39S34-Y36 PolarHBondContact OG-N 3.17Å; S34-N39 WeakPolarHBondContact CB-OD1 3.47Å; S34-N39 PolarHBondContact OG-OD1 3.35Å
35K86Confident88.3Confident214 Ų214100.8 Ų100.893%0.9351%0.511SS*.  trans-86.8-13.4174.1-62.5-179.5-178.4177.70112.8
36Y87.1Confident88.5Confident185 Ų18597.2 Ų97.273%0.72549%0.491SS*.SBendtrans-81.5153.3-175.3-60.7-74.3000112.1S34 N39S34-Y36 PolarHBondContact OG-N 3.17Å; Y36-N39 PolarHBondContact O-ND2 2.9Å; Y36-N39 PolarHBondContact O-OD1 3.19Å
37L80.4Confident88.6Confident179 Ų17997.1 Ų97.194%0.93749%0.492SS*.SBendtrans-71.2-40.9176.5-173.871.6000111.5
38I87.2Confident88.8Confident156 Ų156105.2 Ų105.280%0.852%0.522SS*.SBendtrans-99113.7174.7-58.9170.1000107.2
39N90.3Very high89Confident23 Ų23106.4 Ų106.412%0.12352%0.524CS..  trans-105.5166.2-173.5-75.7-23.1000112.7S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.47Å; S34-N39 PolarHBondContact OG-OD1 3.35Å; Y36-N39 PolarHBondContact O-ND2 2.9Å; Y36-N39 PolarHBondContact O-OD1 3.19Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.74Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.31Å; N39-T44 HydrophobicContact CB-CG2 4Å; N39-Q47 PolarHBondContact ND2-NE2 3.05Å; N39-Q47 VanDerWaalsContact ND2-NE2 3.2Å
40N90.5Very high89.2Confident112 Ų112102.4 Ų102.460%0.59950%0.503SS*.  trans-63.5153.5171.1-166.42.1000110.9L42 I43 T44N40-L42 PolarHBondContact O-N 3.38Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 HydrophobicContact CB-CD1 4.4Å; N40-I43 PolarHBondContact O-N 3.29Å; N40-T44 PolarHBondContact O-N 3.17Å
41R90.1Very high89.3Confident212 Ų212106 Ų10680%0.852%0.515SS*.Hα-helixtrans-51.4-38.6-178.2-64.6-177.6-178.9-179.80.5113.1T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.19Å; R41-T44 PolarHBondContact O-N 3.04Å; R41-T44 PolarHBondContact O-OG1 3.3Å; R41-T45 WeakPolarHBondContact O-CG2 3.34Å; R41-T45 PolarHBondContact O-N 3.42Å; R41-T45 PolarHBondContact O-OG1 3.44Å
42L90.3Very high89.5Confident94 Ų94106.9 Ų106.949%0.49252%0.52SS..Hα-helixtrans-65.9-43178-172.1156.7000111.8P32 N40 T44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.63Å; N40-L42 PolarHBondContact O-N 3.38Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T44 VanDerWaalsContact C-N 3.35Å; L42-T45 PolarHBondContact O-OG1 2.83Å; L42-Q46 VanDerWaalsContact O-CB 3.3Å; L42-Q46 WeakPolarHBondContact O-CB 3.22Å; L42-Q46 PolarHBondContact O-N 2.86Å
43I92.1Very high89.5Confident17 Ų17105.4 Ų105.49%0.08751%0.51CS..Hα-helixtrans-70.6-35.7179.9-63.3165.9000110.1P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CB-CG1 4.4Å; P32-I43 HydrophobicContact CG-CD1 4.41Å; P32-I43 HydrophobicContact CG-CG1 3.92Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.74Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.31Å; N40-I43 HydrophobicContact CB-CD1 4.4Å; N40-I43 PolarHBondContact O-N 3.29Å; I43-Q46 PolarHBondContact O-N 3.45Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.41Å; I43-Q47 VanDerWaalsContact O-CG 3.22Å; I43-Q47 WeakPolarHBondContact O-CG 3.33Å; I43-Q47 PolarHBondContact O-N 2.95Å
44T91.7Very high89.6Confident63 Ų63100.8 Ų100.839%0.38748%0.483SS..Hα-helixtrans-68.4-41.217759.80000112.2N39 N40 R41 L42 Q47 W48N39-T44 HydrophobicContact CB-CG2 4Å; N40-T44 PolarHBondContact O-N 3.17Å; R41-T44 WeakPolarHBondContact CA-OG1 3.19Å; R41-T44 PolarHBondContact O-N 3.04Å; R41-T44 PolarHBondContact O-OG1 3.3Å; L42-T44 VanDerWaalsContact C-N 3.35Å; T44-Q47 PolarHBondContact O-N 3.15Å; T44-W48 WeakPolarHBondContact O-CB 3.38Å; T44-W48 PolarHBondContact O-N 3.42Å
45T91.4Very high89.6Confident88 Ų88106 Ų10654%0.5450%0.501SS..Hα-helixtrans-66.1-40.1174.556.40000111.6R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.34Å; R41-T45 PolarHBondContact O-N 3.42Å; R41-T45 PolarHBondContact O-OG1 3.44Å; L42-T45 PolarHBondContact O-OG1 2.83Å; T45-W48 PolarHBondContact O-N 2.99Å; T45-L49 WeakPolarHBondContact O-CB 3.4Å; T45-L49 PolarHBondContact O-N 2.98Å
46Q91.4Very high89.7Confident42 Ų42101.7 Ų101.720%0.19648%0.484CS..Hα-helixtrans-61.1-49.9174.1-176.7-166.3-48.900111.7I31 L42 I43 W48 L49 I50I31-Q46 VanDerWaalsContact CG2-CD 3.5Å; L42-Q46 VanDerWaalsContact O-CB 3.3Å; L42-Q46 WeakPolarHBondContact O-CB 3.22Å; L42-Q46 PolarHBondContact O-N 2.86Å; I43-Q46 PolarHBondContact O-N 3.45Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.34Å; Q46-L49 PolarHBondContact O-N 2.85Å; Q46-I50 HydrophobicContact CG-CD1 3.93Å; Q46-I50 VanDerWaalsContact O-CG1 3.26Å; Q46-I50 WeakPolarHBondContact O-CG1 3.31Å; Q46-I50 PolarHBondContact O-N 3.42Å
47Q90.6Very high89.6Confident95 Ų9593.5 Ų93.544%0.44445%0.453SS..Hα-helixtrans-60.8-38.6178-75.9175.8-15.200111.9N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.05Å; N39-Q47 VanDerWaalsContact ND2-NE2 3.2Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.41Å; I43-Q47 VanDerWaalsContact O-CG 3.22Å; I43-Q47 WeakPolarHBondContact O-CG 3.33Å; I43-Q47 PolarHBondContact O-N 2.95Å; T44-Q47 PolarHBondContact O-N 3.15Å; Q47-K51 WeakPolarHBondContact O-CB 3.38Å; Q47-K51 PolarHBondContact O-N 3.47Å
48W92.6Very high89.8Confident173 Ų17385.9 Ų85.966%0.65541%0.412SS*.Hα-helixtrans-63.2-45.4175.1-179.182.6000111.9T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.38Å; T44-W48 PolarHBondContact O-N 3.42Å; T45-W48 PolarHBondContact O-N 2.99Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.34Å; W48-K51 PolarHBondContact O-N 3.28Å; W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.38Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.76Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.61Å; W48-L52 WeakPolarHBondContact O-CG 3.3Å; W48-L52 PolarHBondContact O-N 3.14Å
49L91.1Very high89.6Confident95 Ų9582.6 Ų82.650%0.49740%0.4SS..Hα-helixtrans-64.3-42.4178.1-163.7151.7000111.9T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.4Å; T45-L49 PolarHBondContact O-N 2.98Å; Q46-L49 PolarHBondContact O-N 2.85Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.07Å; L49-L52 PolarHBondContact O-N 3.37Å; L49-T53 HydrophobicContact CD2-CG2 4Å; L49-T53 WeakPolarHBondContact O-CG2 3.23Å; L49-T53 PolarHBondContact O-N 3.32Å; L49-T53 PolarHBondContact O-OG1 2.92Å
50I91.4Very high89Confident50 Ų5087.8 Ų87.826%0.25643%0.425SS..Hα-helixtrans-61.7-41.8174.8-67.2173000111Q46 T53 S54 V73 I77Q46-I50 HydrophobicContact CG-CD1 3.93Å; Q46-I50 VanDerWaalsContact O-CG1 3.26Å; Q46-I50 WeakPolarHBondContact O-CG1 3.31Å; Q46-I50 PolarHBondContact O-N 3.42Å; I50-T53 WeakPolarHBondContact CA-OG1 3.41Å; I50-T53 PolarHBondContact O-OG1 3.28Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.49Å; I50-S54 PolarHBondContact O-N 3.5Å; I50-S54 PolarHBondContact O-OG 3.35Å; I50-V73 HydrophobicContact CG2-CG1 3.84Å; I50-I77 HydrophobicContact CD1-CD1 3.91Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å
51K91.2Very high88.6Confident155 Ų15582.9 Ų82.967%0.67440%0.398SS*.Hα-helixtrans-66-39.4178.4-172177.6-178.2178.50112Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.38Å; Q47-K51 PolarHBondContact O-N 3.47Å; W48-K51 PolarHBondContact O-N 3.28Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.07Å; K51-S54 WeakPolarHBondContact CA-OG 3.42Å; K51-S54 PolarHBondContact O-OG 3.16Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.19Å; K51-K55 PolarHBondContact O-N 3.21Å
52L91.2Very high88.2Confident68 Ų6878.3 Ų78.336%0.35639%0.39SS..Hα-helixtrans-67.5-50.3178.1-74.9177.5000112.1W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.38Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.76Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.61Å; W48-L52 WeakPolarHBondContact O-CG 3.3Å; W48-L52 PolarHBondContact O-N 3.14Å; L49-L52 PolarHBondContact O-N 3.37Å; L52-K55 PolarHBondContact O-N 2.78Å; L52-Q56 WeakPolarHBondContact O-CG 3.34Å; L52-Q56 PolarHBondContact O-N 2.78Å
53T88.1Confident87.7Confident22 Ų2278.7 Ų78.714%0.13540%0.396CS..Hα-helixtrans-61.5-46.8-179.749.30000111.5L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4Å; L49-T53 WeakPolarHBondContact O-CG2 3.23Å; L49-T53 PolarHBondContact O-N 3.32Å; L49-T53 PolarHBondContact O-OG1 2.92Å; I50-T53 WeakPolarHBondContact CA-OG1 3.41Å; I50-T53 PolarHBondContact O-OG1 3.28Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; T53-K55 PolarHBondContact O-N 2.93Å; T53-Q56 PolarHBondContact O-N 2.84Å; T53-M57 WeakPolarHBondContact O-CB 3.22Å; T53-M57 WeakPolarHBondContact O-CG 3.01Å; T53-M57 PolarHBondContact O-N 2.97Å
54S88.9Confident87.1Confident34 Ų3483.6 Ų83.624%0.23842%0.417CS..Hα-helixtrans-61.3-42.4175.458.30000112.4I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.49Å; I50-S54 PolarHBondContact O-N 3.5Å; I50-S54 PolarHBondContact O-OG 3.35Å; K51-S54 WeakPolarHBondContact CA-OG 3.42Å; K51-S54 PolarHBondContact O-OG 3.16Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; S54-Q56 PolarHBondContact O-N 3.28Å; S54-M58 VanDerWaalsContact O-CB 3.31Å; S54-M58 WeakPolarHBondContact O-CB 3.19Å; S54-M58 VanDerWaalsContact O-CG 3.23Å; S54-M58 WeakPolarHBondContact O-CG 3.44Å; S54-M58 PolarHBondContact O-N 2.92Å
55K89.1Confident86.5Confident149 Ų14980.6 Ų80.665%0.64840%0.399SS*.Hα-helixtrans-61.8-45177.2-174.3179.3178.5-175.30111.6K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.19Å; K51-K55 PolarHBondContact O-N 3.21Å; L52-K55 PolarHBondContact O-N 2.78Å; T53-K55 PolarHBondContact O-N 2.93Å; K55-T59 WeakPolarHBondContact O-CG2 3.31Å; K55-T59 PolarHBondContact O-N 3.45Å
56Q86.5Confident86.1Confident123 Ų12382.8 Ų82.858%0.57540%0.397SS*.Hα-helixtrans-69.3-37.3-178.6-73.9178.9-25.100113.2L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.34Å; L52-Q56 PolarHBondContact O-N 2.78Å; T53-Q56 PolarHBondContact O-N 2.84Å; S54-Q56 PolarHBondContact O-N 3.28Å; Q56-T59 PolarHBondContact O-OG1 3.43Å
57M84.8Confident85.9Confident13 Ų1385.6 Ų85.66%0.06442%0.417CS..Hα-helixtrans-75.9-37.3179.1-71.8-177.3175.900112.5T53 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CB 3.22Å; T53-M57 WeakPolarHBondContact O-CG 3.01Å; T53-M57 PolarHBondContact O-N 2.97Å; M57-H61 PolarHBondContact O-ND1 3.18Å; M57-L72 HydrophobicContact SD-CB 4.45Å; M57-I76 HydrophobicContact CE-CB 4.4Å; M57-I76 HydrophobicContact CE-CD1 3.53Å; M57-Y212 HydrophobicContact CE-CD2 4.4Å; M57-T215 WeakPolarHBondContact CE-OG1 3.33Å
58M84.9Confident85.7Confident19 Ų1983.5 Ų83.59%0.09441%0.405CS..Hα-helixtrans-83.6-8.4-174.6-61.1-43.2132.100114.6S54 M60 H61 R66 S69 L72S54-M58 VanDerWaalsContact O-CB 3.31Å; S54-M58 WeakPolarHBondContact O-CB 3.19Å; S54-M58 VanDerWaalsContact O-CG 3.23Å; S54-M58 WeakPolarHBondContact O-CG 3.44Å; S54-M58 PolarHBondContact O-N 2.92Å; M58-M60 PolarHBondContact O-N 3.4Å; M58-H61 PolarHBondContact O-N 2.93Å; M58-R66 HydrophobicContact CB-CG 4.46Å; M58-S69 VanDerWaalsContact SD-CB 3.59Å; M58-L72 HydrophobicContact CE-CB 4.26Å; M58-L72 HydrophobicContact CE-CD1 3.89Å
59T84.4Confident85.5Confident87 Ų8777.2 Ų77.253%0.53439%0.387SS..THydrogen-bonded Turntrans-62.7-33.1173.147.90000112K55 Q56 H61K55-T59 WeakPolarHBondContact O-CG2 3.31Å; K55-T59 PolarHBondContact O-N 3.45Å; Q56-T59 PolarHBondContact O-OG1 3.43Å; T59-H61 VanDerWaalsContact C-N 3.32Å
60M77Confident85.5Confident133 Ų13379.5 Ų79.566%0.65540%0.399SS*.THydrogen-bonded Turntrans-80.5-11.4-179.7-58.2-60162.800113.2M58 H223M58-M60 PolarHBondContact O-N 3.4Å; M60-H223 PolarHBondContact O-CE1 3.1Å; M60-H223 PolarHBondContact O-ND1 3.42Å
61H82.3Confident85.5Confident8 Ų880.1 Ų80.14%0.03740%0.402CS..  trans-106139.4-168.9-72.577.9000113.6M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.18Å; M58-H61 PolarHBondContact O-N 2.93Å; T59-H61 VanDerWaalsContact C-N 3.32Å; H61-R66 HydrophobicContact CB-CG 4.35Å; H61-R66 PolarHBondContact O-NE 3.34Å; H61-S219 PolarHBondContact CE1-O 3.17Å; H61-S219 PolarHBondContact NE2-O 3.09Å
62N80.3Confident85.5Confident116 Ų11672.9 Ų72.962%0.6237%0.371SS*.  trans-76.2172.4171.4-148.4-6.5000111.6K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.3Å; N62-K64 PolarHBondContact O-N 3.37Å; N62-G65 PolarHBondContact O-N 3.31Å; N62-R66 PolarHBondContact O-N 2.88Å
63T80.9Confident85.5Confident103 Ų10370.5 Ų70.563%0.63236%0.359SS*.THydrogen-bonded Turntrans-54.7-38.5-172.754.90000114.4
64K79.4Confident85.6Confident120 Ų12072.5 Ų72.552%0.52237%0.374SS..THydrogen-bonded Turntrans-67.2-43.9175.2-68.2-176.2-176.9175.90112.3N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.3Å; N62-K64 PolarHBondContact O-N 3.37Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 2.99Å; K64-T67 WeakPolarHBondContact O-CB 3.09Å; K64-T67 PolarHBondContact O-N 3.05Å; K64-T67 PolarHBondContact O-OG1 3.48Å
65G79.1Confident85.7Confident0 Ų071.8 Ų71.80%037%0.367CS..G310 helixtrans-64-31.3177.700000113.1N62 T67 W68N62-G65 PolarHBondContact O-N 3.31Å; G65-T67 PolarHBondContact O-N 3.32Å; G65-T67 VanDerWaalsContact O-N 3.16Å; G65-W68 WeakPolarHBondContact O-CB 3.31Å; G65-W68 PolarHBondContact O-N 3.22Å
66R83.8Confident85.8Confident134 Ų13465.5 Ų65.551%0.50634%0.341SS..G310 helixtrans-63-20.8176.4-70.7-179.2-176.7-174.80.1114.2M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.46Å; H61-R66 HydrophobicContact CB-CG 4.35Å; H61-R66 PolarHBondContact O-NE 3.34Å; N62-R66 PolarHBondContact O-N 2.88Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 2.99Å; R66-W68 PolarHBondContact O-N 2.64Å; R66-S69 WeakPolarHBondContact O-CB 3.25Å; R66-S69 PolarHBondContact O-N 3.37Å; R66-S69 VanDerWaalsContact O-N 3.08Å; R66-S69 PolarHBondContact O-OG 3.36Å
67T86.6Confident86.1Confident101 Ų10161.2 Ų61.262%0.6232%0.321SS*.G310 helixtrans-63-25.6174.462.90000112.4K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.09Å; K64-T67 PolarHBondContact O-N 3.05Å; K64-T67 PolarHBondContact O-OG1 3.48Å; G65-T67 PolarHBondContact O-N 3.32Å; G65-T67 VanDerWaalsContact O-N 3.16Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.38Å
68W86.9Confident86.4Confident51 Ų5163 Ų6319%0.19333%0.329CS..G310 helixtrans-85.21.7177-7453.6000113.6G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.31Å; G65-W68 PolarHBondContact O-N 3.22Å; R66-W68 PolarHBondContact O-N 2.64Å; W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 3.17Å; W68-M71 HydrophobicContact CD2-CE 3.95Å; W68-M71 HydrophobicContact CE3-CE 3.03Å; W68-M71 HydrophobicContact CH2-CE 3.95Å; W68-M71 HydrophobicContact CZ3-CE 3.05Å; W68-M71 PolarHBondContact O-N 2.8Å; W68-L72 PolarHBondContact O-N 3.33Å; W68-M115 HydrophobicContact CZ2-SD 3.97Å; W68-M115 PolarHBondContact NE1-SD 3.03Å; W68-L222 HydrophobicContact CB-CD2 3.45Å; W68-L222 VanDerWaalsContact CB-CD2 3.45Å; W68-L222 HydrophobicContact CD2-CD1 3.65Å; W68-L222 HydrophobicContact CD2-CD2 4Å; W68-L222 HydrophobicContact CD2-CG 4.5Å; W68-L222 HydrophobicContact CE3-CD1 3.78Å; W68-L222 HydrophobicContact CE3-CD2 4.23Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.6Å; W68-L222 HydrophobicContact CG-CG 4.47Å; W68-L222 HydrophobicContact CZ3-CD1 4.28Å
69S87.9Confident86.7Confident40 Ų4062.1 Ų62.128%0.2832%0.324SS..Hα-helixtrans-57.5-41.5-17660.50000113M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.59Å; R66-S69 WeakPolarHBondContact O-CB 3.25Å; R66-S69 PolarHBondContact O-N 3.37Å; R66-S69 VanDerWaalsContact O-N 3.08Å; R66-S69 PolarHBondContact O-OG 3.36Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.38Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.38Å; S69-L72 PolarHBondContact O-N 2.93Å; S69-V73 WeakPolarHBondContact O-CB 3.21Å; S69-V73 WeakPolarHBondContact O-CG2 3.46Å; S69-V73 PolarHBondContact O-N 2.97Å
70L90.9Very high87Confident143 Ų14359.4 Ų59.475%0.74931%0.311SS*.Hα-helixtrans-59-42.3177.4-169.797000111.5W68 S74W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 3.17Å; L70-S74 WeakPolarHBondContact O-CB 3.46Å; L70-S74 PolarHBondContact O-N 3.29Å; L70-S74 PolarHBondContact O-OG 3.12Å
71M91.2Very high87.7Confident63 Ų6354.6 Ų54.631%0.3129%0.289SS..Hα-helixtrans-70.6-43.9-178.3-166.6173.967.500111.6W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.95Å; W68-M71 HydrophobicContact CE3-CE 3.03Å; W68-M71 HydrophobicContact CH2-CE 3.95Å; W68-M71 HydrophobicContact CZ3-CE 3.05Å; W68-M71 PolarHBondContact O-N 2.8Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.38Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.1Å; M71-S74 WeakPolarHBondContact CA-OG 3.09Å; M71-S74 PolarHBondContact O-N 2.97Å; M71-S74 PolarHBondContact O-OG 3.22Å; M71-L75 WeakPolarHBondContact O-CB 3.45Å; M71-L75 PolarHBondContact O-N 3.12Å; M71-L108 HydrophobicContact CE-CD2 3.33Å; M71-L108 HydrophobicContact CG-CD2 4.18Å; M71-L108 HydrophobicContact SD-CD2 3.55Å; M71-L108 VanDerWaalsContact SD-CD2 3.55Å
72L90.6Very high88.1Confident3 Ų354.3 Ų54.32%0.01629%0.288CS..Hα-helixtrans-62.7-41.5177.5-69.4170.9000111.9M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.45Å; M58-L72 HydrophobicContact CE-CB 4.26Å; M58-L72 HydrophobicContact CE-CD1 3.89Å; W68-L72 PolarHBondContact O-N 3.33Å; S69-L72 PolarHBondContact O-N 2.93Å; L72-L75 PolarHBondContact O-N 3.41Å; L72-I76 PolarHBondContact O-N 2.91Å; L72-V218 HydrophobicContact CD2-CB 4.21Å; L72-V218 HydrophobicContact CD2-CG1 3.85Å
73V91.5Very high88.6Confident18 Ų1848.9 Ų48.911%0.10926%0.259CS..Hα-helixtrans-69.6-44.5179171.50000111.7I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.84Å; S69-V73 WeakPolarHBondContact O-CB 3.21Å; S69-V73 WeakPolarHBondContact O-CG2 3.46Å; S69-V73 PolarHBondContact O-N 2.97Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.1Å; V73-L75 PolarHBondContact O-N 3.09Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.29Å; V73-I77 HydrophobicContact CG1-CD1 3.78Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.35Å; V73-I77 WeakPolarHBondContact O-CG1 3.5Å; V73-I77 PolarHBondContact O-N 3.14Å
74S91.4Very high89Confident64 Ų6448.6 Ų48.645%0.44825%0.253SS..Hα-helixtrans-62.3-36.517652.60000111.6L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.46Å; L70-S74 PolarHBondContact O-N 3.29Å; L70-S74 PolarHBondContact O-OG 3.12Å; M71-S74 WeakPolarHBondContact CA-OG 3.09Å; M71-S74 PolarHBondContact O-N 2.97Å; M71-S74 PolarHBondContact O-OG 3.22Å; S74-F78 VanDerWaalsContact O-CB 3.31Å; S74-F78 WeakPolarHBondContact O-CB 3Å; S74-F78 PolarHBondContact O-N 3.28Å
75L90.9Very high89.5Confident20 Ų2044.7 Ų44.711%0.10524%0.237CC..Hα-helixtrans-71.7-42.7-178.9-168.9129000113.7M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.45Å; M71-L75 PolarHBondContact O-N 3.12Å; L72-L75 PolarHBondContact O-N 3.41Å; V73-L75 PolarHBondContact O-N 3.09Å; L75-I77 VanDerWaalsContact C-N 3.28Å; L75-I77 PolarHBondContact O-N 3.5Å; L75-F78 PolarHBondContact O-N 3.07Å; L75-I79 HydrophobicContact CD2-CD1 3.5Å; L75-I79 VanDerWaalsContact CD2-CD1 3.5Å; L75-I79 HydrophobicContact CD2-CG1 4.42Å; L75-I79 HydrophobicContact CG-CD1 3.98Å; L75-I79 HydrophobicContact CG-CG1 4.47Å; L75-I79 WeakPolarHBondContact O-CG1 3.48Å; L75-I79 PolarHBondContact O-N 2.94Å; L75-L108 HydrophobicContact CD1-CD1 3.17Å; L75-L108 HydrophobicContact CD1-CD2 4.16Å; L75-L108 HydrophobicContact CD1-CG 4.25Å; L75-L108 HydrophobicContact CG-CD1 4.47Å; L75-F214 HydrophobicContact CD1-CE1 4.31Å; L75-F214 HydrophobicContact CD2-CD1 3.45Å; L75-F214 VanDerWaalsContact CD2-CD1 3.45Å; L75-F214 HydrophobicContact CD2-CE1 3.51Å; L75-F214 HydrophobicContact CG-CE1 4.46Å; L75-T215 HydrophobicContact CD2-CG2 3.37Å
76I91.4Very high89.9Confident17 Ų1744.7 Ų44.79%0.08724%0.238CC..Hα-helixtrans-61.8-41.3175.8-168.5167.2000110.8M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.4Å; M57-I76 HydrophobicContact CE-CD1 3.53Å; L72-I76 PolarHBondContact O-N 2.91Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.29Å; I76-A80 WeakPolarHBondContact O-CB 3.35Å; I76-A80 PolarHBondContact O-N 2.95Å; I76-A211 HydrophobicContact CG1-CB 4.47Å; I76-Y212 HydrophobicContact CD1-CD2 4.13Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.44Å; I76-T215 VanDerWaalsContact CB-CG2 3.44Å; I76-T215 HydrophobicContact CG1-CG2 3.98Å
77I91.6Very high90Very high33 Ų3340.1 Ų40.117%0.16922%0.223CC..Hα-helixtrans-66.5-43179.1-63164.6000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.44Å; I50-I77 HydrophobicContact CD1-CD1 3.91Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CD1 3.78Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.35Å; V73-I77 WeakPolarHBondContact O-CG1 3.5Å; V73-I77 PolarHBondContact O-N 3.14Å; L75-I77 VanDerWaalsContact C-N 3.28Å; L75-I77 PolarHBondContact O-N 3.5Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.26Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.26Å; I77-T81 PolarHBondContact O-N 3.35Å; I77-T81 PolarHBondContact O-OG1 3.38Å
78F91.1Very high90.1Very high50 Ų5040 Ų4022%0.21922%0.219CC..Hα-helixtrans-60.4-53.9178.1-179.2-104.6000111.8I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.37Å; S74-F78 VanDerWaalsContact O-CB 3.31Å; S74-F78 WeakPolarHBondContact O-CB 3Å; S74-F78 PolarHBondContact O-N 3.28Å; L75-F78 PolarHBondContact O-N 3.07Å; F78-A80 PolarHBondContact O-N 2.91Å; F78-T81 PolarHBondContact O-N 2.85Å; F78-T81 PolarHBondContact O-OG1 3.34Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.14Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.83Å; F78-T82 WeakPolarHBondContact O-CG2 3.48Å; F78-T82 PolarHBondContact O-N 3.22Å; F78-T82 PolarHBondContact O-OG1 3.38Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; F78-M100 HydrophobicContact CE1-CE 3.76Å; F78-M100 HydrophobicContact CZ-CE 3.58Å; 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
79I91.1Very high89.8Confident0 Ų042.9 Ų42.90%024%0.244CC..Hα-helixtrans-65-41.8-177.9-60.8173.1000111.1L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD2-CD1 3.5Å; L75-I79 VanDerWaalsContact CD2-CD1 3.5Å; L75-I79 HydrophobicContact CD2-CG1 4.42Å; L75-I79 HydrophobicContact CG-CD1 3.98Å; L75-I79 HydrophobicContact CG-CG1 4.47Å; L75-I79 WeakPolarHBondContact O-CG1 3.48Å; L75-I79 PolarHBondContact O-N 2.94Å; I79-T81 PolarHBondContact O-N 3.03Å; I79-T82 WeakPolarHBondContact CA-OG1 3.33Å; I79-T82 PolarHBondContact O-OG1 2.79Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.41Å; I79-N83 WeakPolarHBondContact O-CB 3.33Å; I79-N83 PolarHBondContact O-N 3.35Å; I79-N83 PolarHBondContact O-ND2 3.13Å; I79-N83 PolarHBondContact O-OD1 3.43Å; I79-L160 HydrophobicContact CG2-CD1 4Å; I79-L160 HydrophobicContact CG2-CD2 4.21Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; I79-F214 HydrophobicContact CD1-CB 4.28Å; I79-F214 HydrophobicContact CD1-CD1 3.53Å; I79-F214 HydrophobicContact CD1-CD2 4.23Å; I79-F214 HydrophobicContact CD1-CE1 3.86Å; I79-F214 HydrophobicContact CD1-CE2 4.49Å; I79-F214 HydrophobicContact CD1-CG 3.76Å; I79-F214 HydrophobicContact CD1-CZ 4.32Å
80A90.8Very high89.6Confident31 Ų3150.8 Ų50.826%0.25628%0.276SS..Hα-helixtrans-62.7-44.117900000111.5I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.35Å; I76-A80 PolarHBondContact O-N 2.95Å; F78-A80 PolarHBondContact O-N 2.91Å; A80-L84 VanDerWaalsContact O-CB 3.25Å; A80-L84 WeakPolarHBondContact O-CB 3.19Å; A80-L84 PolarHBondContact O-N 3.48Å; A80-A211 HydrophobicContact CB-CB 3.95Å
81T91.2Very high89.3Confident31 Ų3145.7 Ų45.719%0.1925%0.252CS..Hα-helixtrans-69.9-42.1179.652.80000112.2P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.41Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.26Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.26Å; I77-T81 PolarHBondContact O-N 3.35Å; I77-T81 PolarHBondContact O-OG1 3.38Å; F78-T81 PolarHBondContact O-N 2.85Å; F78-T81 PolarHBondContact O-OG1 3.34Å; I79-T81 PolarHBondContact O-N 3.03Å; T81-N83 PolarHBondContact O-N 2.92Å; T81-L84 PolarHBondContact O-N 3.24Å; T81-L85 WeakPolarHBondContact O-CB 3.09Å; T81-L85 WeakPolarHBondContact O-CD1 3.48Å; T81-L85 PolarHBondContact O-N 3.35Å
82T91Very high88.9Confident3 Ų344 Ų442%0.01824%0.243CC..Hα-helixtrans-62.8-41.3176.352.10000112.5P27 F78 I79 G86 P94 T95P27-T82 HydrophobicContact CB-CG2 4.28Å; P27-T82 HydrophobicContact CG-CG2 3.52Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.14Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.83Å; F78-T82 WeakPolarHBondContact O-CG2 3.48Å; F78-T82 PolarHBondContact O-N 3.22Å; F78-T82 PolarHBondContact O-OG1 3.38Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; I79-T82 WeakPolarHBondContact CA-OG1 3.33Å; I79-T82 PolarHBondContact O-OG1 2.79Å; T82-G86 PolarHBondContact O-N 3.29Å; T82-G86 VanDerWaalsContact O-N 3.08Å; T82-P94 HydrophobicContact CG2-CG 4.47Å; T82-T95 WeakPolarHBondContact OG1-CG2 3.37Å
83N91.1Very high88.6Confident2 Ų244 Ų441%0.01124%0.243CC..Hα-helixtrans-71.1-41.3-179.2-67.1-9.9000111.4I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.41Å; I79-N83 WeakPolarHBondContact O-CB 3.33Å; I79-N83 PolarHBondContact O-N 3.35Å; I79-N83 PolarHBondContact O-ND2 3.13Å; I79-N83 PolarHBondContact O-OD1 3.43Å; T81-N83 PolarHBondContact O-N 2.92Å; N83-G86 WeakPolarHBondContact O-CA 3.36Å; N83-G86 PolarHBondContact O-N 3.41Å; N83-G86 VanDerWaalsContact O-N 3.1Å; N83-L87 PolarHBondContact O-N 3.27Å; N83-T95 WeakPolarHBondContact OD1-CB 3.43Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.18Å; N83-T95 PolarHBondContact OD1-OG1 2.86Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.41Å; N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.44Å; N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 2.93Å
84L89.9Confident88.2Confident97 Ų9743.6 Ų43.651%0.50824%0.241SC..Hα-helixtrans-69.2-38.8-179.7-166.5126.4000112A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.25Å; A80-L84 WeakPolarHBondContact O-CB 3.19Å; A80-L84 PolarHBondContact O-N 3.48Å; T81-L84 PolarHBondContact O-N 3.24Å; L84-G86 PolarHBondContact O-N 3.45Å; L84-L87 PolarHBondContact O-N 3.39Å
85L90.1Very high87.9Confident37 Ų3740.6 Ų40.619%0.19422%0.22CC..Hα-helixtrans-61.5-33.2169.9-99.283.9000112.2F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.32Å; F26-L85 HydrophobicContact CE1-CD2 3.59Å; L30-L85 HydrophobicContact CD1-CD1 3.31Å; L30-L85 HydrophobicContact CD1-CD2 3.97Å; L30-L85 HydrophobicContact CD1-CG 4.18Å; T81-L85 WeakPolarHBondContact O-CB 3.09Å; T81-L85 WeakPolarHBondContact O-CD1 3.48Å; T81-L85 PolarHBondContact O-N 3.35Å; L85-L87 PolarHBondContact O-N 2.88Å; L85-L88 HydrophobicContact CG-CD1 4.39Å; L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.2Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.49Å; L85-L88 PolarHBondContact O-N 3.05Å; L85-L88 VanDerWaalsContact O-N 3.14Å; L85-S91 PolarHBondContact O-OG 3.37Å
86G86.1Confident87.7Confident1 Ų140 Ų401%0.0122%0.217CC..Hα-helixtrans-58.7-32.4178.500000116.2T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.29Å; T82-G86 VanDerWaalsContact O-N 3.08Å; N83-G86 WeakPolarHBondContact O-CA 3.36Å; N83-G86 PolarHBondContact O-N 3.41Å; N83-G86 VanDerWaalsContact O-N 3.1Å; L84-G86 PolarHBondContact O-N 3.45Å; G86-L88 PolarHBondContact O-N 2.98Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 3.19Å; G86-S91 PolarHBondContact O-OG 3.46Å; G86-H168 PolarHBondContact O-CE1 2.99Å; G86-H168 PolarHBondContact O-NE2 3.47Å
87L86.9Confident87.6Confident38 Ų3842.4 Ų42.420%0.19923%0.228CC..THydrogen-bonded Turntrans-75.9-6.2-179.7-60.1175.1000112.6N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.27Å; L84-L87 PolarHBondContact O-N 3.39Å; L85-L87 PolarHBondContact O-N 2.88Å; L87-M171 HydrophobicContact CD2-CE 3.98Å; L87-E203 HydrophobicContact CD1-CG 4.44Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.19Å; L87-I204 HydrophobicContact CD1-CG1 3.59Å; L87-A207 HydrophobicContact CD1-CB 4.12Å
88L87.6Confident87.4Confident99 Ų9944.4 Ų44.452%0.51824%0.239SC..SBendtrans-67.3143.1174.3-65.3172.8000110.7L85 G86 H90 S91L85-L88 HydrophobicContact CG-CD1 4.39Å; L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.2Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.49Å; L85-L88 PolarHBondContact O-N 3.05Å; L85-L88 VanDerWaalsContact O-N 3.14Å; G86-L88 PolarHBondContact O-N 2.98Å; L88-H90 PolarHBondContact O-N 3.47Å; L88-S91 WeakPolarHBondContact O-CB 3.47Å; L88-S91 PolarHBondContact O-N 3.44Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 3.08Å
89P82.1Confident87.2Confident111 Ų11146 Ų4672%0.72126%0.256SS*.THydrogen-bonded Turntrans-59135.4-179.625-34000110.8S91P89-S91 PolarHBondContact O-N 3.05Å; P89-S91 VanDerWaalsContact O-N 3.1Å
90H82.6Confident87.1Confident205 Ų20547.5 Ų47.595%0.94926%0.263SS*.THydrogen-bonded Turntrans57.416.3-178.6-56.7-60.5000116L88L88-H90 PolarHBondContact O-N 3.47Å
91S84.6Confident87Confident36 Ų3646 Ų4625%0.25225%0.251SS..  trans-80.5143.7172.173.60000111.2L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.37Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 3.19Å; G86-S91 PolarHBondContact O-OG 3.46Å; L88-S91 WeakPolarHBondContact O-CB 3.47Å; L88-S91 PolarHBondContact O-N 3.44Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 3.08Å; P89-S91 PolarHBondContact O-N 3.05Å; P89-S91 VanDerWaalsContact O-N 3.1Å
92F83Confident86.8Confident28 Ų2846.4 Ų46.412%0.12325%0.252CS..  trans-90.5123.1170.9170.8-94.9000109.2S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.4Å; A11-F92 HydrophobicContact CB-CZ 4.48Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.1Å; A20-F92 HydrophobicContact CB-CE1 4.29Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.86Å; I23-F92 HydrophobicContact CD1-CG 4.31Å; I23-F92 HydrophobicContact CG2-CD1 4.42Å; I23-F92 WeakPolarHBondContact CG2-O 3.31Å; F92-P94 HydrophobicContact CE1-CB 4.41Å; F92-P94 WeakPolarHBondContact O-CD 3.39Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å
93T84.5Confident86.7Confident4 Ų449.4 Ų49.43%0.02528%0.277CS..  trans-91.6111.4177.728.50000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 3.27Å; T93-T96 PolarHBondContact O-N 3.07Å; T93-T96 PolarHBondContact O-OG1 3.27Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.47Å; T93-I164 HydrophobicContact CG2-CG2 4.25Å
94P83.3Confident86.4Confident9 Ų950.8 Ų50.86%0.05828%0.284CS..G310 helixtrans-63.8-24.5176.826-33.5000112.6I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.32Å; I24-P94 HydrophobicContact CG1-CB 3.72Å; I24-P94 HydrophobicContact CG1-CG 4.11Å; T82-P94 HydrophobicContact CG2-CG 4.47Å; F92-P94 HydrophobicContact CE1-CB 4.41Å; F92-P94 WeakPolarHBondContact O-CD 3.39Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.16Å; P94-Q97 PolarHBondContact O-N 3.22Å; P94-M100 HydrophobicContact CB-CE 4.37Å; P94-M100 HydrophobicContact CB-SD 3.78Å; P94-M100 WeakPolarHBondContact O-CB 3.48Å
95T85.8Confident86.3Confident0 Ų046.2 Ų46.20%026%0.26CS..G310 helixtrans-75.4-7179.2510000114.5T82 N83 T93 Q97 N101 L160 I164T82-T95 WeakPolarHBondContact OG1-CG2 3.37Å; N83-T95 WeakPolarHBondContact OD1-CB 3.43Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.18Å; N83-T95 PolarHBondContact OD1-OG1 2.86Å; T93-T95 PolarHBondContact O-N 3.27Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.3Å; T95-N101 PolarHBondContact O-OD1 3.24Å; T95-L160 HydrophobicContact CG2-CD2 4.38Å; T95-I164 VanDerWaalsContact OG1-CD1 3.27Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.33Å
96T86Confident86.2Confident9 Ų948.4 Ų48.46%0.05527%0.271CS..G310 helixtrans-74.8-26.2169.456.70000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; T93-T96 PolarHBondContact O-N 3.07Å; T93-T96 PolarHBondContact O-OG1 3.27Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.47Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.16Å; T96-L98 PolarHBondContact O-N 2.83Å; T96-T161 WeakPolarHBondContact O-CG2 3.44Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.63Å; T96-T165 HydrophobicContact CG2-CG2 3.74Å
97Q89.3Confident86.3Confident67 Ų6752.2 Ų52.231%0.31330%0.296SS..SBendtrans-78.7120178.5-65.5-62.7-30.800109.8F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 2.99Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å; P94-Q97 PolarHBondContact O-N 3.22Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.43Å; Q97-M100 PolarHBondContact O-N 3.36Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.42Å
98L87.2Confident86.4Confident75 Ų7551.3 Ų51.339%0.39329%0.291SS..Hα-helixtrans-57.5-33.1178-177.263.4000112T96 M100 N101 L102 A157 V158 T161T96-L98 PolarHBondContact O-N 2.83Å; L98-M100 VanDerWaalsContact C-N 3.34Å; L98-M100 PolarHBondContact O-N 3.33Å; L98-N101 PolarHBondContact O-N 2.88Å; L98-L102 WeakPolarHBondContact O-CB 3.37Å; L98-L102 PolarHBondContact O-N 3.39Å; L98-A157 HydrophobicContact CD1-CB 4.33Å; L98-V158 HydrophobicContact CD1-CG2 3.88Å; L98-T161 VanDerWaalsContact CA-CG2 3.47Å; L98-T161 HydrophobicContact CB-CG2 4.05Å; L98-T161 HydrophobicContact CD1-CG2 4.04Å
99S87.9Confident86.3Confident83 Ų8348.6 Ų48.658%0.5827%0.274SS*.Hα-helixtrans-56.7-44.5176.656.70000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.43Å; S99-A103 WeakPolarHBondContact O-CB 3.23Å; S99-A103 PolarHBondContact O-N 3.14Å
100M87.9Confident86.5Confident32 Ų3244.6 Ų44.616%0.15825%0.25CS..Hα-helixtrans-66.2-47.4-179.9-177.8117.3-179.500111.2I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-CE 4.22Å; I24-M100 HydrophobicContact CD1-SD 3.6Å; I24-M100 VanDerWaalsContact CD1-SD 3.6Å; I24-M100 HydrophobicContact CG1-CE 4.02Å; I24-M100 HydrophobicContact CG1-SD 3.9Å; I24-M100 HydrophobicContact CG2-CE 3.92Å; F78-M100 HydrophobicContact CE1-CE 3.76Å; F78-M100 HydrophobicContact CZ-CE 3.58Å; P94-M100 HydrophobicContact CB-CE 4.37Å; P94-M100 HydrophobicContact CB-SD 3.78Å; P94-M100 WeakPolarHBondContact O-CB 3.48Å; Q97-M100 PolarHBondContact O-N 3.36Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.34Å; L98-M100 PolarHBondContact O-N 3.33Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.45Å; M100-A103 PolarHBondContact O-N 3.21Å; M100-M104 HydrophobicContact CE-CE 4.19Å; M100-M104 HydrophobicContact CG-CE 3.62Å; M100-M104 PolarHBondContact O-N 3.45Å
101N88.3Confident86.6Confident0 Ų035.9 Ų35.90%022%0.216CC..Hα-helixtrans-67.3-37.4-177.5-65.8-6.6000111.7T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.3Å; T95-N101 PolarHBondContact O-OD1 3.24Å; Q97-N101 PolarHBondContact O-N 3.42Å; L98-N101 PolarHBondContact O-N 2.88Å; N101-M104 PolarHBondContact O-N 3.07Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.42Å; N101-A105 PolarHBondContact O-N 3.4Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 2.94Å; N101-L160 HydrophobicContact CB-CD2 4.3Å; N101-L160 VanDerWaalsContact CG-CD2 3.41Å; N101-L160 WeakPolarHBondContact ND2-CB 3.4Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.5Å; N101-L160 VanDerWaalsContact ND2-CG 3.33Å; N101-L160 WeakPolarHBondContact ND2-CG 3.44Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.44Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.3Å; N101-T161 PolarHBondContact ND2-N 3.49Å
102L86.6Confident86.6Confident38 Ų3834.2 Ų34.220%0.19921%0.205CC..Hα-helixtrans-70.7-38.2177.1-160.870.6000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.37Å; L98-L102 PolarHBondContact O-N 3.39Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.45Å; L102-M104 PolarHBondContact O-N 2.89Å; L102-A105 PolarHBondContact O-N 3.05Å; L102-I106 HydrophobicContact CD1-CD1 3.93Å; L102-I106 HydrophobicContact CD1-CG1 4.03Å; L102-I106 HydrophobicContact CD2-CD1 3.93Å; L102-I106 HydrophobicContact CG-CD1 3.53Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.35Å; L102-I106 PolarHBondContact O-N 3.02Å; L102-M154 HydrophobicContact CD1-CE 3.65Å; L102-M154 HydrophobicContact CD2-CE 3.72Å; L102-M154 HydrophobicContact CG-CE 4.36Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 4Å
103A89.2Confident86.6Confident67 Ų6733.7 Ų33.755%0.55420%0.203SC*.Hα-helixtrans-63.1-28.917300000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.23Å; S99-A103 PolarHBondContact O-N 3.14Å; M100-A103 PolarHBondContact O-N 3.21Å; A103-P107 WeakPolarHBondContact O-CD 3.42Å; A103-P107 WeakPolarHBondContact O-CG 3.48Å
104M86.1Confident86.6Confident30 Ų3038.1 Ų38.115%0.14823%0.226CC..Hα-helixtrans-79.5-46.2171-70.7-175.2-81.200112.2F78 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 4.19Å; M100-M104 HydrophobicContact CG-CE 3.62Å; M100-M104 PolarHBondContact O-N 3.45Å; N101-M104 PolarHBondContact O-N 3.07Å; L102-M104 PolarHBondContact O-N 2.89Å; M104-L108 WeakPolarHBondContact O-CD1 3.4Å; M104-L108 VanDerWaalsContact O-CG 3.25Å; M104-L108 WeakPolarHBondContact O-CG 3.31Å
105A86.8Confident86.5Confident2 Ų240 Ų402%0.01723%0.234CC..Hα-helixtrans-70-44.5-17200000113.6N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.42Å; N101-A105 PolarHBondContact O-N 3.4Å; L102-A105 PolarHBondContact O-N 3.05Å; A105-L108 PolarHBondContact O-N 3.19Å; A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.42Å; A105-W109 PolarHBondContact O-N 2.83Å; A105-L156 HydrophobicContact CB-CD2 4.35Å; A105-A157 HydrophobicContact CB-CB 4.25Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.18Å
106I88.1Confident86.1Confident83 Ų8340 Ų4043%0.42624%0.235SC..Hα-helixtrans-62.3-50.2-174.9-66.7176.1000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.93Å; L102-I106 HydrophobicContact CD1-CG1 4.03Å; L102-I106 HydrophobicContact CD2-CD1 3.93Å; L102-I106 HydrophobicContact CG-CD1 3.53Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.35Å; L102-I106 PolarHBondContact O-N 3.02Å; I106-L108 PolarHBondContact O-N 3.17Å; I106-W109 PolarHBondContact O-N 2.97Å; I106-A110 WeakPolarHBondContact O-CB 2.97Å; I106-A110 PolarHBondContact O-N 3.06Å
107P89.4Confident85.7Confident80 Ų8043.3 Ų43.352%0.51925%0.248SC..Hα-helixtrans-64.7-37.4-178.5-24.636.8000113.3A103 G111A103-P107 WeakPolarHBondContact O-CD 3.42Å; A103-P107 WeakPolarHBondContact O-CG 3.48Å; P107-G111 PolarHBondContact O-N 3.38Å
108L87.8Confident85.1Confident20 Ų2050.3 Ų50.311%0.10527%0.272CS..Hα-helixtrans-66.1-46.7178.5-68.7164.4000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.33Å; M71-L108 HydrophobicContact CG-CD2 4.18Å; M71-L108 HydrophobicContact SD-CD2 3.55Å; M71-L108 VanDerWaalsContact SD-CD2 3.55Å; L75-L108 HydrophobicContact CD1-CD1 3.17Å; L75-L108 HydrophobicContact CD1-CD2 4.16Å; L75-L108 HydrophobicContact CD1-CG 4.25Å; L75-L108 HydrophobicContact CG-CD1 4.47Å; M104-L108 WeakPolarHBondContact O-CD1 3.4Å; M104-L108 VanDerWaalsContact O-CG 3.25Å; M104-L108 WeakPolarHBondContact O-CG 3.31Å; A105-L108 PolarHBondContact O-N 3.19Å; I106-L108 PolarHBondContact O-N 3.17Å; L108-G111 PolarHBondContact O-N 3.17Å; L108-A112 PolarHBondContact O-N 3.44Å; L108-F214 HydrophobicContact CD1-CE1 4.04Å; L108-F214 HydrophobicContact CD1-CZ 4.42Å; L108-V218 HydrophobicContact CB-CG1 4.34Å
109W86.4Confident84.3Confident41 Ų4148.9 Ų48.916%0.15527%0.268CS..Hα-helixtrans-63.7-47.8176.4172.589.7000111A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.42Å; A105-W109 PolarHBondContact O-N 2.83Å; I106-W109 PolarHBondContact O-N 2.97Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.7Å; W109-A112 PolarHBondContact O-N 2.99Å; W109-A112 VanDerWaalsContact O-N 3.15Å; W109-V113 HydrophobicContact CD2-CG2 4.09Å; W109-V113 HydrophobicContact CH2-CG2 4.41Å; W109-V113 HydrophobicContact CZ2-CG2 3.93Å; W109-V113 WeakPolarHBondContact O-CG2 3.36Å; W109-V113 PolarHBondContact O-N 2.85Å; W109-L149 HydrophobicContact CH2-CD2 4.17Å; W109-L149 HydrophobicContact CZ2-CD2 3.47Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.47Å; W109-L149 HydrophobicContact CZ2-CG 3.95Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.49Å; W109-L149 PolarHBondContact NE1-O 2.82Å; W109-L150 HydrophobicContact CH2-CD2 3.76Å; W109-L150 HydrophobicContact CZ2-CD2 4.27Å; W109-P153 HydrophobicContact CB-CB 3.9Å; W109-P153 HydrophobicContact CB-CG 4.39Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.82Å; W109-P153 HydrophobicContact CE3-CG 4.34Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.81Å
110A85.6Confident83.5Confident27 Ų2749.2 Ų49.222%0.22326%0.259CS..Hα-helixtrans-60.3-41.2178.700000111I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 2.97Å; I106-A110 PolarHBondContact O-N 3.06Å; A110-V113 PolarHBondContact O-N 3.14Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.5Å; A110-I114 WeakPolarHBondContact O-CD1 3.43Å; A110-I114 WeakPolarHBondContact O-CG1 3.1Å; A110-I114 PolarHBondContact O-N 3.3Å
111G85.6Confident82.4Confident23 Ų2352.9 Ų52.924%0.23728%0.279CS..Hα-helixtrans-60.5-44.617500000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.38Å; L108-G111 PolarHBondContact O-N 3.17Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.7Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.27Å; G111-M115 PolarHBondContact O-N 2.92Å
112A83.7Confident81.3Confident1 Ų161.9 Ų61.91%0.00832%0.318CS..Hα-helixtrans-63.5-45.7176.900000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.44Å; W109-A112 PolarHBondContact O-N 2.99Å; W109-A112 VanDerWaalsContact O-N 3.15Å; A112-M115 PolarHBondContact O-N 3.17Å; A112-G116 PolarHBondContact O-N 3.3Å; A112-L222 HydrophobicContact CB-CD1 4.47Å
113V83.3Confident80.4Confident16 Ų1664.8 Ų64.810%0.09733%0.333CS..Hα-helixtrans-64.6-46.4178.8172.40000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.09Å; W109-V113 HydrophobicContact CH2-CG2 4.41Å; W109-V113 HydrophobicContact CZ2-CG2 3.93Å; W109-V113 WeakPolarHBondContact O-CG2 3.36Å; W109-V113 PolarHBondContact O-N 2.85Å; A110-V113 PolarHBondContact O-N 3.14Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.08Å; V113-G116 PolarHBondContact O-N 3.46Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.33Å; V113-F117 PolarHBondContact O-N 3.34Å
114I84.4Confident79.2Confident98 Ų9862.4 Ų62.450%0.50331%0.314SS..Hα-helixtrans-61.5-39177-68.4163.8000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.5Å; A110-I114 WeakPolarHBondContact O-CD1 3.43Å; A110-I114 WeakPolarHBondContact O-CG1 3.1Å; A110-I114 PolarHBondContact O-N 3.3Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 2.95Å; I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 3.41Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.2Å; I114-R118 PolarHBondContact O-N 3.26Å
115M81.8Confident78.1Confident47 Ų4765.6 Ų65.623%0.23233%0.331CS..Hα-helixtrans-65.5-37.9176-171.9169.5-178.600112.1W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 3.97Å; W68-M115 PolarHBondContact NE1-SD 3.03Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.27Å; G111-M115 PolarHBondContact O-N 2.92Å; A112-M115 PolarHBondContact O-N 3.17Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.08Å; M115-R118 PolarHBondContact O-N 3.41Å; M115-S119 WeakPolarHBondContact O-CB 3.46Å; M115-S119 PolarHBondContact O-N 3.28Å; M115-S119 PolarHBondContact O-OG 3.21Å; M115-S119 VanDerWaalsContact O-OG 3.07Å; M115-L222 HydrophobicContact SD-CD1 4.19Å; M115-T226 HydrophobicContact CE-CG2 4.41Å
116G76.7Confident76.9Confident1 Ų167.9 Ų67.91%0.0135%0.35CS..Hα-helixtrans-61.7-50.617300000112.8A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.3Å; V113-G116 PolarHBondContact O-N 3.46Å; V113-G116 VanDerWaalsContact O-N 3.14Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.47Å; G116-S119 PolarHBondContact O-N 3.1Å; G116-S119 PolarHBondContact O-OG 3.23Å; G116-K120 CarbonylContact O-C 3.59Å; G116-K120 PolarHBondContact O-N 3.34Å; G116-N225 VanDerWaalsContact CA-O 3.23Å; G116-N225 WeakPolarHBondContact CA-O 3.34Å
117F78.4Confident75.8Confident78 Ų7869.1 Ų69.134%0.34235%0.354SS..Hα-helixtrans-59.8-40.2175.3-77.2-64.5000112.3V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.33Å; V113-F117 PolarHBondContact O-N 3.34Å; I114-F117 PolarHBondContact O-N 2.95Å; F117-I121 WeakPolarHBondContact O-CG1 3.42Å; F117-A124 HydrophobicContact CD1-CB 4.28Å; F117-A124 HydrophobicContact CE1-CB 4.39Å; F117-L125 HydrophobicContact CD1-CD1 4.14Å; F117-L125 HydrophobicContact CE1-CD1 3.76Å; F117-F128 HydrophobicContact CZ-CE2 4.31Å; F117-F128 HydrophobicContact CZ-CZ 4.47Å
118R77.1Confident74.5Confident215 Ų21567.2 Ų67.281%0.81134%0.337SS*.Hα-helixtrans-70.5-34.8179-74-179.769.7-166.52.1113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 3.41Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.2Å; I114-R118 PolarHBondContact O-N 3.26Å; M115-R118 PolarHBondContact O-N 3.41Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.47Å
119S69.7Low73.2Confident45 Ų4569.7 Ų69.732%0.31535%0.35SS..Hα-helixtrans-88.9-39.4-172.571.30000113.6M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.46Å; M115-S119 PolarHBondContact O-N 3.28Å; M115-S119 PolarHBondContact O-OG 3.21Å; M115-S119 VanDerWaalsContact O-OG 3.07Å; G116-S119 PolarHBondContact O-N 3.1Å; G116-S119 PolarHBondContact O-OG 3.23Å; S119-N225 PolarHBondContact OG-O 3.3Å
120K70.7Confident72Confident89 Ų8970.9 Ų70.939%0.38736%0.363SS..  trans-146.772.1-176.8-67175.4-178.1159.10111.4G116 K122 N123 A124 T226G116-K120 CarbonylContact O-C 3.59Å; G116-K120 PolarHBondContact O-N 3.34Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 2.93Å; K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.25Å; K120-N123 PolarHBondContact O-N 3.02Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.36Å; K120-A124 PolarHBondContact O-N 2.7Å; K120-T226 WeakPolarHBondContact CE-O 3.28Å; K120-T226 PolarHBondContact NZ-O 3.19Å; K120-T226 PolarHBondContact NZ-OXT 3.18Å
121I65.9Low70.8Confident110 Ų11079.1 Ų79.156%0.56440%0.397SS*.Hα-helixtrans-47.5-48.9177.4-60.2170.2000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.42Å; I121-N123 PolarHBondContact O-N 2.95Å; I121-L125 HydrophobicContact CG2-CD1 3.82Å; I121-L125 WeakPolarHBondContact O-CD1 3.39Å; I121-L125 PolarHBondContact O-N 2.99Å
122K63.9Low69.7Low188 Ų18882 Ų8282%0.81743%0.427SS*.Hα-helixtrans-66.1-37.2-176.4-65.1-175.7180-177.50113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 2.93Å; K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.21Å; K122-A126 PolarHBondContact O-N 3.45Å
123N67.6Low68.9Low99 Ų9983.7 Ų83.753%0.52944%0.437SS..Hα-helixtrans-79.2-36.3-178.3-149.959.7000111.4K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.25Å; K120-N123 PolarHBondContact O-N 3.02Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 2.95Å; N123-A126 PolarHBondContact O-N 3.08Å; N123-H127 PolarHBondContact O-N 2.91Å; N123-H127 VanDerWaalsContact O-N 3.07Å
124A64.5Low68.4Low18 Ų1886.5 Ų86.515%0.14946%0.456CS..Hα-helixtrans-63.2-42.9173.100000111.4F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.28Å; F117-A124 HydrophobicContact CE1-CB 4.39Å; K120-A124 WeakPolarHBondContact O-CB 3.36Å; K120-A124 PolarHBondContact O-N 2.7Å; A124-H127 PolarHBondContact O-N 3.31Å
125L63.4Low68Low96 Ų9687.6 Ų87.650%0.50347%0.467SS..Hα-helixtrans-70.1-32.4174.3-8881.6000112.7F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.14Å; F117-L125 HydrophobicContact CE1-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CD1 3.82Å; I121-L125 WeakPolarHBondContact O-CD1 3.39Å; I121-L125 PolarHBondContact O-N 2.99Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 2.95Å; L125-F128 PolarHBondContact O-N 3.35Å
126A61.7Low67.9Low51 Ų5190.2 Ų90.242%0.42149%0.487SS..Hα-helixtrans-67.8-28176.400000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.21Å; K122-A126 PolarHBondContact O-N 3.45Å; N123-A126 PolarHBondContact O-N 3.08Å; A126-F128 PolarHBondContact O-N 2.83Å; A126-L129 CarbonylContact O-C 3.57Å; A126-L129 PolarHBondContact O-N 2.93Å
127H63.9Low68Low109 Ų10995.3 Ų95.351%0.50551%0.514SS..Hα-helixtrans-64.8-23.8174.9-165.9-62.1000112.6N123 A124 L125 L129 E145N123-H127 PolarHBondContact O-N 2.91Å; N123-H127 VanDerWaalsContact O-N 3.07Å; A124-H127 PolarHBondContact O-N 3.31Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 2.95Å; H127-L129 PolarHBondContact O-N 3.25Å; H127-E145 IonicContact CE1-OE1 3.92Å; H127-E145 IonicContact ND1-OE1 3.98Å
128F62.7Low67.9Low39 Ų3993.4 Ų93.417%0.17151%0.509CS..THydrogen-bonded Turntrans-67.6-12.2173.3-67.7-56.9000113.4F117 L125 A126 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.31Å; F117-F128 HydrophobicContact CZ-CZ 4.47Å; L125-F128 PolarHBondContact O-N 3.35Å; A126-F128 PolarHBondContact O-N 2.83Å; F128-E145 HydrophobicContact CD1-CB 4.42Å; F128-E145 HydrophobicContact CD1-CG 4.05Å; F128-T146 HydrophobicContact CD1-CG2 4.04Å; F128-T146 HydrophobicContact CE1-CG2 3.92Å; F128-T146 HydrophobicContact CZ-CG2 4.49Å; F128-L149 HydrophobicContact CE1-CD1 4.38Å
129L61.3Low67.9Low72 Ų7287 Ų8738%0.37750%0.495SS..SBendtrans-125.9108.7179.9-135.177000111A126 H127 Q131 T138 V142A126-L129 CarbonylContact O-C 3.57Å; A126-L129 PolarHBondContact O-N 2.93Å; H127-L129 PolarHBondContact O-N 3.25Å; L129-Q131 PolarHBondContact O-N 2.79Å; L129-T138 HydrophobicContact CD2-CG2 4.35Å; L129-V142 HydrophobicContact CD1-CG2 3.28Å
130P60.3Low68.5Low66 Ų6690.4 Ų90.443%0.42951%0.507SS..  trans-62.8135170.218.6-18.9000109.2G132 T133 L141P130-G132 PolarHBondContact O-N 3.05Å; P130-T133 HydrophobicContact CB-CG2 4.43Å; P130-T133 HydrophobicContact CG-CG2 3.76Å; P130-T133 WeakPolarHBondContact O-CG2 3.47Å; P130-T133 PolarHBondContact O-OG1 2.88Å; P130-L141 HydrophobicContact CG-CD1 3.71Å; P130-L141 HydrophobicContact CG-CD2 3.65Å; P130-L141 HydrophobicContact CG-CG 4.35Å
131Q61.3Low69.2Low201 Ų20188.4 Ų88.494%0.93950%0.501SS*.THydrogen-bonded Turntrans-63.8131.9-177.2-62.2-156.7-1.800110.5L129L129-Q131 PolarHBondContact O-N 2.79Å
132G60.7Low69.9Low83 Ų8385.5 Ų85.586%0.85649%0.488SS*.THydrogen-bonded Turntrans94.114.8177.300000115.8P130P130-G132 PolarHBondContact O-N 3.05Å
133T68.6Low70.9Confident37 Ų3780.9 Ų80.923%0.22747%0.471CS..  trans-75.2134.6175.845.50000112.2P130 L141P130-T133 HydrophobicContact CB-CG2 4.43Å; P130-T133 HydrophobicContact CG-CG2 3.76Å; P130-T133 WeakPolarHBondContact O-CG2 3.47Å; P130-T133 PolarHBondContact O-OG1 2.88Å; T133-L141 HydrophobicContact CG2-CD1 3.82Å
134P72.1Confident71.7Confident74 Ų7480.6 Ų80.648%0.48147%0.469SS..  trans-66.4136.3176.927.7-33.9000110.2P136 L137P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 WeakPolarHBondContact O-CD 3.22Å; P134-L137 HydrophobicContact CG-CB 4.41Å; P134-L137 HydrophobicContact CG-CD1 3.87Å; P134-L137 HydrophobicContact CG-CG 4.31Å; P134-L137 PolarHBondContact O-N 3.44Å
135T74.9Confident72.6Confident122 Ų12282.4 Ų82.475%0.74847%0.474SS*.G310 helixtrans-45.1-38.3-17445.50000116.1L137 T138T135-L137 PolarHBondContact O-N 2.98Å; T135-T138 PolarHBondContact O-OG1 3.41Å
136P80.9Confident73.4Confident101 Ų10180.2 Ų80.266%0.65647%0.465SS*.G310 helixtrans-72.3-24.4179.425.6-34.6000115.1P134P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 WeakPolarHBondContact O-CD 3.22Å
137L78.7Confident74.5Confident109 Ų10981.8 Ų81.857%0.57147%0.465SS*.G310 helixtrans-89.9-11.5-178.4-66177000113.3P134 T135 M140 L141P134-L137 HydrophobicContact CG-CB 4.41Å; P134-L137 HydrophobicContact CG-CD1 3.87Å; P134-L137 HydrophobicContact CG-CG 4.31Å; P134-L137 PolarHBondContact O-N 3.44Å; T135-L137 PolarHBondContact O-N 2.98Å; L137-M140 PolarHBondContact O-N 3.37Å; L137-L141 PolarHBondContact O-N 2.99Å
138T75.7Confident75.5Confident37 Ų3779 Ų7923%0.22746%0.459CS..Hα-helixtrans-55.3-46-177.659.30000114.7L129 T135 M140 L141 V142L129-T138 HydrophobicContact CD2-CG2 4.35Å; T135-T138 PolarHBondContact O-OG1 3.41Å; T138-M140 PolarHBondContact O-N 3.45Å; T138-L141 PolarHBondContact O-N 3.05Å; T138-V142 WeakPolarHBondContact O-CG2 3.29Å; T138-V142 PolarHBondContact O-N 3.26Å
139P78.1Confident76.4Confident81 Ų8179.1 Ų79.153%0.52646%0.461SS..Hα-helixtrans-67.8-34.7-177.326.3-34.7000112.8I143P139-I143 WeakPolarHBondContact O-CG1 3.37Å; P139-I143 PolarHBondContact O-N 2.97Å
140M82.4Confident77.4Confident116 Ų11681 Ų8157%0.57147%0.47SS*.Hα-helixtrans-69.2-40.4178.4-174.462.8-17500111.5L137 T138 I143 I144L137-M140 PolarHBondContact O-N 3.37Å; T138-M140 PolarHBondContact O-N 3.45Å; M140-I143 PolarHBondContact O-N 3Å; M140-I144 HydrophobicContact CE-CD1 4.09Å; M140-I144 HydrophobicContact CE-CG1 4.32Å; M140-I144 HydrophobicContact CG-CD1 4.24Å; M140-I144 WeakPolarHBondContact O-CG1 3.32Å; M140-I144 PolarHBondContact O-N 2.88Å
141L84.1Confident78.6Confident48 Ų4882.4 Ų82.425%0.25147%0.473SS..Hα-helixtrans-67.9-40.7-178.3-164.1155.2000111.8P130 T133 L137 T138 I143 I144 E145P130-L141 HydrophobicContact CG-CD1 3.71Å; P130-L141 HydrophobicContact CG-CD2 3.65Å; P130-L141 HydrophobicContact CG-CG 4.35Å; T133-L141 HydrophobicContact CG2-CD1 3.82Å; L137-L141 PolarHBondContact O-N 2.99Å; T138-L141 PolarHBondContact O-N 3.05Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 3.49Å; L141-I144 PolarHBondContact O-N 3.45Å; L141-I144 VanDerWaalsContact O-N 3.15Å; L141-E145 PolarHBondContact O-N 3.45Å
142V80.9Confident79.6Confident49 Ų4976.1 Ų76.130%0.29744%0.444SS..Hα-helixtrans-57.6-43.2175.1174.40000111L129 T138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.28Å; T138-V142 WeakPolarHBondContact O-CG2 3.29Å; T138-V142 PolarHBondContact O-N 3.26Å; V142-I144 PolarHBondContact O-N 3.45Å; V142-E145 PolarHBondContact O-N 2.99Å; V142-T146 HydrophobicContact CG1-CG2 4.3Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.16Å; V142-T146 PolarHBondContact O-N 3.25Å; V142-T146 PolarHBondContact O-OG1 2.78Å
143I84.4Confident80.5Confident91 Ų9172.6 Ų72.647%0.46741%0.406SS..Hα-helixtrans-60.5-47.1177.5-66.6165.4000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.37Å; P139-I143 PolarHBondContact O-N 2.97Å; M140-I143 PolarHBondContact O-N 3Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 3.49Å; I143-E145 PolarHBondContact O-N 2.93Å; I143-T146 PolarHBondContact O-N 2.67Å; I143-T146 PolarHBondContact O-OG1 3.19Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.49Å; I143-I147 PolarHBondContact O-N 3.2Å
144I85.6Confident81.2Confident92 Ų9275.3 Ų75.347%0.47242%0.417SS..Hα-helixtrans-62.5-43.2179.5-63.6167.1000111.2M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 4.09Å; M140-I144 HydrophobicContact CE-CG1 4.32Å; M140-I144 HydrophobicContact CG-CD1 4.24Å; M140-I144 WeakPolarHBondContact O-CG1 3.32Å; M140-I144 PolarHBondContact O-N 2.88Å; L141-I144 PolarHBondContact O-N 3.45Å; L141-I144 VanDerWaalsContact O-N 3.15Å; V142-I144 PolarHBondContact O-N 3.45Å; I144-I147 PolarHBondContact O-N 3.15Å; I144-S148 WeakPolarHBondContact O-CB 3.03Å; I144-S148 PolarHBondContact O-N 3.24Å
145E83.3Confident81.8Confident56 Ų5673.7 Ų73.726%0.26241%0.41SS..Hα-helixtrans-66.5-40.2-179.5-16761-159.500111.6H127 F128 L141 V142 I143 I147 S148 L149H127-E145 IonicContact CE1-OE1 3.92Å; H127-E145 IonicContact ND1-OE1 3.98Å; F128-E145 HydrophobicContact CD1-CB 4.42Å; F128-E145 HydrophobicContact CD1-CG 4.05Å; L141-E145 PolarHBondContact O-N 3.45Å; V142-E145 PolarHBondContact O-N 2.99Å; I143-E145 PolarHBondContact O-N 2.93Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 2.99Å; E145-S148 WeakPolarHBondContact O-CB 3.25Å; E145-S148 PolarHBondContact O-N 3.31Å; E145-L149 WeakPolarHBondContact O-CB 3.42Å; E145-L149 PolarHBondContact O-N 3.5Å
146T80.6Confident82Confident51 Ų5168.2 Ų68.231%0.31338%0.376SS..Hα-helixtrans-62.8-38.2174.159.60000112.4F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.04Å; F128-T146 HydrophobicContact CE1-CG2 3.92Å; F128-T146 HydrophobicContact CZ-CG2 4.49Å; V142-T146 HydrophobicContact CG1-CG2 4.3Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.16Å; V142-T146 PolarHBondContact O-N 3.25Å; V142-T146 PolarHBondContact O-OG1 2.78Å; I143-T146 PolarHBondContact O-N 2.67Å; I143-T146 PolarHBondContact O-OG1 3.19Å; T146-L150 WeakPolarHBondContact O-CG 3.07Å; T146-L150 PolarHBondContact O-N 2.87Å
147I85.2Confident82.1Confident83 Ų8363.4 Ų63.443%0.42635%0.345SS..Hα-helixtrans-68.3-43.6175.2-67.6166.5000110.6I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.49Å; I143-I147 PolarHBondContact O-N 3.2Å; I144-I147 PolarHBondContact O-N 3.15Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 2.99Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.37Å; I147-L150 PolarHBondContact O-N 3.28Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.37Å; I147-I151 PolarHBondContact O-N 3.38Å
148S83.3Confident82.5Confident52 Ų5261.3 Ų61.336%0.36434%0.337SS..Hα-helixtrans-57.3-46.2177.6-176.60000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.03Å; I144-S148 PolarHBondContact O-N 3.24Å; E145-S148 WeakPolarHBondContact O-CB 3.25Å; E145-S148 PolarHBondContact O-N 3.31Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.41Å; S148-I151 PolarHBondContact O-N 3.03Å; S148-Q152 PolarHBondContact O-N 3.22Å; S148-Q152 VanDerWaalsContact O-N 3.12Å
149L82.1Confident83.1Confident41 Ų4164.2 Ų64.222%0.21534%0.343CS..Hα-helixtrans-61-35.7177.6-174.3123.3000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.17Å; W109-L149 HydrophobicContact CZ2-CD2 3.47Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.47Å; W109-L149 HydrophobicContact CZ2-CG 3.95Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.49Å; W109-L149 PolarHBondContact NE1-O 2.82Å; F128-L149 HydrophobicContact CE1-CD1 4.38Å; E145-L149 WeakPolarHBondContact O-CB 3.42Å; E145-L149 PolarHBondContact O-N 3.5Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.37Å; L149-P153 WeakPolarHBondContact O-CD 3.23Å
150L82.2Confident83.2Confident110 Ų11060.4 Ų60.458%0.57632%0.318SS*.Hα-helixtrans-77.9-35.3176.8-72173.4000113.6W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.76Å; W109-L150 HydrophobicContact CZ2-CD2 4.27Å; T146-L150 WeakPolarHBondContact O-CG 3.07Å; T146-L150 PolarHBondContact O-N 2.87Å; I147-L150 PolarHBondContact O-N 3.28Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.41Å; L150-P153 WeakPolarHBondContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CG 3.5Å
151I84.9Confident83.3Confident97 Ų9755.6 Ų55.650%0.49730%0.296SS..Hα-helixtrans-72.4-32.1-179.3-69.6172.9000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.37Å; I147-I151 PolarHBondContact O-N 3.38Å; S148-I151 PolarHBondContact O-N 3.03Å; I151-M154 CarbonylContact O-C 3.59Å; I151-M154 PolarHBondContact O-N 3.09Å; I151-M154 VanDerWaalsContact O-N 3.1Å; I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.3Å; I151-A155 PolarHBondContact O-N 3.03Å
152Q83.1Confident83.4Confident69 Ų6955.3 Ų55.332%0.32230%0.3SS..Hα-helixtrans-50-53.3-177.4-109.8175-12.800116.2S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.22Å; S148-Q152 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 2.84Å; Q152-A155 PolarHBondContact O-N 3.1Å; Q152-L156 WeakPolarHBondContact O-CB 3.38Å; Q152-L156 PolarHBondContact O-N 3.31Å; Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.42Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.3Å; Q152-Y221 PolarHBondContact NE2-OH 3.26Å; Q152-Y221 PolarHBondContact OE1-OH 3.45Å
153P78.8Confident83.7Confident9 Ų955.9 Ų55.96%0.05830%0.301CS..Hα-helixtrans-64.1-33.5178.923.9-34.6000112.2W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.9Å; W109-P153 HydrophobicContact CB-CG 4.39Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.82Å; W109-P153 HydrophobicContact CE3-CG 4.34Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.81Å; L149-P153 WeakPolarHBondContact O-CD 3.23Å; L150-P153 WeakPolarHBondContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CG 3.5Å; P153-A157 PolarHBondContact O-N 3.37Å
154M83.7Confident83.8Confident94 Ų9451.8 Ų51.846%0.46328%0.28SS..Hα-helixtrans-70.6-43.1175.7-175.5149-94.400111.4L102 I151 Q152 L156 A157 V158L102-M154 HydrophobicContact CD1-CE 3.65Å; L102-M154 HydrophobicContact CD2-CE 3.72Å; L102-M154 HydrophobicContact CG-CE 4.36Å; I151-M154 CarbonylContact O-C 3.59Å; I151-M154 PolarHBondContact O-N 3.09Å; I151-M154 VanDerWaalsContact O-N 3.1Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 2.84Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 2.82Å; M154-A157 PolarHBondContact O-N 3.08Å; M154-V158 HydrophobicContact CG-CG2 4.39Å; M154-V158 WeakPolarHBondContact O-CB 3.41Å; M154-V158 VanDerWaalsContact O-CG2 3.29Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 3.1Å
155A84.8Confident83.9Confident40 Ų4049.1 Ų49.133%0.33127%0.269SS..Hα-helixtrans-61.3-38176.100000112.2I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.3Å; I151-A155 PolarHBondContact O-N 3.03Å; Q152-A155 PolarHBondContact O-N 3.1Å; A155-R159 WeakPolarHBondContact O-CB 3.47Å; A155-R159 PolarHBondContact O-N 2.74Å
156L79.5Confident84.1Confident7 Ų749 Ų494%0.03728%0.278CS..Hα-helixtrans-61.8-48.2174.9-166.489.3000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.35Å; Q152-L156 WeakPolarHBondContact O-CB 3.38Å; Q152-L156 PolarHBondContact O-N 3.31Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 2.82Å; L156-R159 PolarHBondContact O-N 3.16Å; L156-L160 PolarHBondContact O-N 3.46Å; L156-F214 HydrophobicContact CD1-CD2 4.24Å; L156-F214 HydrophobicContact CD1-CG 4.48Å; L156-F214 HydrophobicContact CD2-CD1 4.09Å; L156-F214 HydrophobicContact CD2-CD2 3.32Å; L156-F214 HydrophobicContact CD2-CE1 3.9Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.44Å; L156-F214 VanDerWaalsContact CD2-CZ 3.44Å; L156-F214 HydrophobicContact CG-CD2 3.47Å; L156-F214 VanDerWaalsContact CG-CD2 3.47Å; L156-F214 HydrophobicContact CG-CE2 3.67Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.44Å; L156-L217 HydrophobicContact CD1-CB 3.85Å; L156-L217 HydrophobicContact CD1-CD1 3.36Å; L156-L217 HydrophobicContact CD1-CG 4.24Å; L156-V218 HydrophobicContact CD2-CG2 4.37Å
157A83.5Confident84.4Confident0 Ų046.9 Ų46.90%027%0.266CS..Hα-helixtrans-64.2-44.6179.700000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.33Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 2.94Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 4Å; A105-A157 HydrophobicContact CB-CB 4.25Å; P153-A157 PolarHBondContact O-N 3.37Å; M154-A157 PolarHBondContact O-N 3.08Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.35Å; A157-L160 PolarHBondContact O-N 2.97Å; A157-T161 PolarHBondContact O-N 2.89Å; A157-T161 VanDerWaalsContact O-N 3.14Å; A157-T161 PolarHBondContact O-OG1 3.31Å
158V86.9Confident84.6Confident65 Ų6544.5 Ų44.539%0.39425%0.252SS..Hα-helixtrans-64.3-38.1177.6172.70000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.88Å; M154-V158 HydrophobicContact CG-CG2 4.39Å; M154-V158 WeakPolarHBondContact O-CB 3.41Å; M154-V158 VanDerWaalsContact O-CG2 3.29Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 3.1Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.47Å; V158-T161 WeakPolarHBondContact CA-OG1 3.43Å; V158-T161 PolarHBondContact O-N 3.05Å; V158-T161 PolarHBondContact O-OG1 3.01Å; V158-A162 WeakPolarHBondContact O-CB 3.39Å; V158-A162 PolarHBondContact O-N 3.39Å
159R87.4Confident84.8Confident98 Ų9843.9 Ų43.937%0.3725%0.245SC..Hα-helixtrans-61-42.7177.5-168.4-173.1-60.8152.62.4111.7A155 L156 A157 N163 Q210A155-R159 WeakPolarHBondContact O-CB 3.47Å; A155-R159 PolarHBondContact O-N 2.74Å; L156-R159 PolarHBondContact O-N 3.16Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.35Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3Å; R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å
160L80.8Confident85.2Confident0 Ų045.8 Ų45.80%026%0.255CS..Hα-helixtrans-67.2-43.9179.5-18070.5000110.8I79 N83 T95 N101 L156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 4Å; I79-L160 HydrophobicContact CG2-CD2 4.21Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.41Å; T95-L160 HydrophobicContact CG2-CD2 4.38Å; N101-L160 HydrophobicContact CB-CD2 4.3Å; N101-L160 VanDerWaalsContact CG-CD2 3.41Å; N101-L160 WeakPolarHBondContact ND2-CB 3.4Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.5Å; N101-L160 VanDerWaalsContact ND2-CG 3.33Å; N101-L160 WeakPolarHBondContact ND2-CG 3.44Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.44Å; L156-L160 PolarHBondContact O-N 3.46Å; A157-L160 PolarHBondContact O-N 2.97Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.47Å; L160-I164 HydrophobicContact CD1-CD1 3.79Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.17Å; L160-I164 PolarHBondContact O-N 3.49Å; L160-Q210 VanDerWaalsContact CA-NE2 3.28Å; L160-Q210 HydrophobicContact CB-CG 4.25Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.4Å; L160-Q210 VanDerWaalsContact CD1-CG 3.4Å; L160-Q210 HydrophobicContact CG-CG 4.42Å
161T85.4Confident85.6Confident15 Ų1542 Ų429%0.09223%0.234CC..Hα-helixtrans-66.3-46177.550.20000112.2T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.44Å; L98-T161 VanDerWaalsContact CA-CG2 3.47Å; L98-T161 HydrophobicContact CB-CG2 4.05Å; L98-T161 HydrophobicContact CD1-CG2 4.04Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.3Å; N101-T161 PolarHBondContact ND2-N 3.49Å; A157-T161 PolarHBondContact O-N 2.89Å; A157-T161 VanDerWaalsContact O-N 3.14Å; A157-T161 PolarHBondContact O-OG1 3.31Å; V158-T161 WeakPolarHBondContact CA-OG1 3.43Å; V158-T161 PolarHBondContact O-N 3.05Å; V158-T161 PolarHBondContact O-OG1 3.01Å; T161-N163 PolarHBondContact O-N 2.97Å; T161-I164 PolarHBondContact O-N 2.96Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.36Å; T161-T165 VanDerWaalsContact O-CG2 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3.27Å; T161-T165 PolarHBondContact O-N 2.97Å; T161-T165 PolarHBondContact O-OG1 3.06Å
162A84.8Confident85.8Confident42 Ų4241 Ų4135%0.34723%0.228SC..Hα-helixtrans-63.6-43.9-172.700000111.2V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.39Å; V158-A162 PolarHBondContact O-N 3.39Å; A162-T165 PolarHBondContact O-OG1 2.74Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.07Å
163N88.4Confident86.1Confident61 Ų6141.7 Ų41.733%0.32623%0.233SC..Hα-helixtrans-64.1-48.9-179.4-69.2-5.4000111.1R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3Å; T161-N163 PolarHBondContact O-N 2.97Å; N163-G167 PolarHBondContact O-N 2.92Å; N163-V206 HydrophobicContact CB-CG1 4.04Å
164I85.4Confident86.7Confident5 Ų542.8 Ų42.83%0.02624%0.238CC..Hα-helixtrans-70.6-40.5-176.6-59.1172.6000111.3N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.44Å; T93-I164 HydrophobicContact CG2-CG2 4.25Å; T95-I164 VanDerWaalsContact OG1-CD1 3.27Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.33Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.63Å; L160-I164 HydrophobicContact CD1-CD1 3.79Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.17Å; L160-I164 PolarHBondContact O-N 3.49Å; T161-I164 PolarHBondContact O-N 2.96Å; I164-H168 WeakPolarHBondContact O-CB 3.39Å; I164-H168 PolarHBondContact O-CD2 3.34Å; I164-H168 VanDerWaalsContact O-CD2 3.31Å; I164-H168 PolarHBondContact O-N 3.5Å; I164-H168 VanDerWaalsContact O-N 3.08Å
165T87.9Confident87Confident37 Ų3739.4 Ų39.423%0.22723%0.228CC..Hα-helixtrans-66.4-45.8177.552.80000111.7F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.41Å; F9-T165 HydrophobicContact CE1-CG2 4.12Å; T96-T165 HydrophobicContact CG2-CG2 3.74Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.36Å; T161-T165 VanDerWaalsContact O-CG2 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3.27Å; T161-T165 PolarHBondContact O-N 2.97Å; T161-T165 PolarHBondContact O-OG1 3.06Å; A162-T165 PolarHBondContact O-OG1 2.74Å; T165-H168 PolarHBondContact O-N 3.35Å; T165-L169 WeakPolarHBondContact O-CB 3.26Å; T165-L169 WeakPolarHBondContact O-CG 3.34Å; T165-L169 PolarHBondContact O-N 2.87Å
166A87.3Confident87.2Confident54 Ų5439.5 Ų39.545%0.44623%0.225SC..Hα-helixtrans-64.9-43.6178.500000111.6A162 H168 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.07Å; A166-H168 PolarHBondContact O-N 3Å; A166-L169 PolarHBondContact O-N 2.89Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.44Å; A166-L170 PolarHBondContact O-N 2.9Å
167G88.1Confident87.6Confident6 Ų642.2 Ų42.26%0.06224%0.242CC..Hα-helixtrans-59-47.4176.800000112.4N163 L170 M171 E203N163-G167 PolarHBondContact O-N 2.92Å; G167-L170 PolarHBondContact O-N 2.84Å; G167-M171 WeakPolarHBondContact O-CB 3.16Å; G167-M171 WeakPolarHBondContact O-CG 3.45Å; G167-M171 PolarHBondContact O-N 3.27Å; G167-E203 WeakPolarHBondContact CA-OE2 3.33Å
168H88Confident87.9Confident32 Ų3243.3 Ų43.315%0.14825%0.249CC..Hα-helixtrans-62.9-43.4175.9-91.7-87.7000113.6F9 G86 I164 T165 A166 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.09Å; F9-H168 HydrophobicContact CZ-CB 3.85Å; G86-H168 PolarHBondContact O-CE1 2.99Å; G86-H168 PolarHBondContact O-NE2 3.47Å; I164-H168 WeakPolarHBondContact O-CB 3.39Å; I164-H168 PolarHBondContact O-CD2 3.34Å; I164-H168 VanDerWaalsContact O-CD2 3.31Å; I164-H168 PolarHBondContact O-N 3.5Å; I164-H168 VanDerWaalsContact O-N 3.08Å; T165-H168 PolarHBondContact O-N 3.35Å; A166-H168 PolarHBondContact O-N 3Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.45Å; H168-M171 PolarHBondContact O-N 3.31Å; H168-H172 PolarHBondContact O-N 2.87Å
169L88.1Confident88Confident40 Ų4046.5 Ų46.521%0.20926%0.263CS..Hα-helixtrans-61.9-42.8175.7-78.7170.6000111.3L5 F6 F9 T165 A166 H172 L173L5-L169 HydrophobicContact CB-CD2 4.24Å; F6-L169 HydrophobicContact CD1-CD2 4.46Å; F6-L169 HydrophobicContact CE1-CD1 4.05Å; F6-L169 HydrophobicContact CE1-CD2 4.14Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å; F9-L169 HydrophobicContact CE2-CD1 4.39Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.35Å; F9-L169 HydrophobicContact CZ-CG 3.94Å; T165-L169 WeakPolarHBondContact O-CB 3.26Å; T165-L169 WeakPolarHBondContact O-CG 3.34Å; T165-L169 PolarHBondContact O-N 2.87Å; A166-L169 PolarHBondContact O-N 2.89Å; L169-H172 PolarHBondContact O-N 3.5Å; L169-L173 WeakPolarHBondContact O-CG 3.29Å; L169-L173 PolarHBondContact O-N 3.08Å
170L89.9Confident88.1Confident80 Ų8044.2 Ų44.242%0.41927%0.265SS..Hα-helixtrans-68.1-41.1-179-158150.4000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.44Å; A166-L170 PolarHBondContact O-N 2.9Å; G167-L170 PolarHBondContact O-N 2.84Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.45Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.33Å; L170-L173 PolarHBondContact O-N 3.4Å; L170-I174 HydrophobicContact CD2-CD1 3.5Å; L170-I174 HydrophobicContact CD2-CG1 4.11Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.39Å; L170-L199 HydrophobicContact CB-CD2 4.45Å; L170-L199 HydrophobicContact CD2-CD1 3.64Å; L170-L199 HydrophobicContact CD2-CD2 3.19Å; L170-L199 HydrophobicContact CD2-CG 4.02Å; L170-L199 HydrophobicContact CG-CD2 4.4Å
171M90.6Very high88.4Confident30 Ų3047.3 Ų47.315%0.14828%0.281CS..Hα-helixtrans-59.3-42171.4-75.4-173.2-68.300112.1L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.98Å; G167-M171 WeakPolarHBondContact O-CB 3.16Å; G167-M171 WeakPolarHBondContact O-CG 3.45Å; G167-M171 PolarHBondContact O-N 3.27Å; H168-M171 PolarHBondContact O-N 3.31Å; M171-G175 PolarHBondContact O-N 3.37Å; M171-L199 HydrophobicContact CB-CD2 4.31Å; 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 4.13Å
172H89.1Confident88.5Confident77 Ų7749.7 Ų49.736%0.35630%0.298SS..Hα-helixtrans-68.4-40.6178.7-167.7-60.7000112.4E3 L5 H168 L169 L170 G175 S176E3-H172 IonicContact OE2-CE1 3.81Å; L5-H172 VanDerWaalsContact CD2-CE1 3.44Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.45Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.12Å; H168-H172 PolarHBondContact O-N 2.87Å; L169-H172 PolarHBondContact O-N 3.5Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.33Å; H172-G175 PolarHBondContact O-N 3.33Å; H172-S176 PolarHBondContact O-N 3.31Å; H172-S176 PolarHBondContact O-OG 3.18Å
173L89.9Confident88.6Confident84 Ų8453.4 Ų53.444%0.4432%0.316SS..Hα-helixtrans-66.8-43177.8-73.5171.2000111.9L5 L169 L170 G175 S176 T177L5-L173 HydrophobicContact CD1-CD2 3.81Å; L5-L173 HydrophobicContact CD2-CD2 4.38Å; L169-L173 WeakPolarHBondContact O-CG 3.29Å; L169-L173 PolarHBondContact O-N 3.08Å; L170-L173 PolarHBondContact O-N 3.4Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-S176 PolarHBondContact O-OG 2.99Å; L173-S176 VanDerWaalsContact O-OG 3.09Å; L173-T177 VanDerWaalsContact O-CG2 3.27Å; L173-T177 WeakPolarHBondContact O-CG2 3.48Å; L173-T177 PolarHBondContact O-N 3.48Å; L173-T177 PolarHBondContact O-OG1 3.48Å; L173-T177 VanDerWaalsContact O-OG1 3.06Å
174I90.9Very high88.6Confident32 Ų3255.5 Ų55.516%0.16433%0.326CS..Hα-helixtrans-67.3-39.5174.3-63.2-173.5000109.8L170 S176 T177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.5Å; L170-I174 HydrophobicContact CD2-CG1 4.11Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.39Å; I174-S176 PolarHBondContact O-N 3.44Å; I174-T177 WeakPolarHBondContact CA-OG1 3.34Å; I174-T177 PolarHBondContact O-N 3.32Å; I174-T177 PolarHBondContact O-OG1 3.15Å; I174-T178 HydrophobicContact CG2-CG2 4.28Å; I174-T178 VanDerWaalsContact O-CG2 3.29Å; I174-T178 WeakPolarHBondContact O-CG2 3.49Å; I174-T178 PolarHBondContact O-N 3.45Å; I174-T178 PolarHBondContact O-OG1 2.96Å; I174-I192 HydrophobicContact CG2-CG2 3.84Å; I174-I195 HydrophobicContact CD1-CG2 4.08Å; I174-L196 HydrophobicContact CB-CD1 4.12Å; I174-L196 HydrophobicContact CG2-CB 3.91Å; I174-L196 HydrophobicContact CG2-CD1 3.95Å; I174-L196 HydrophobicContact CG2-CG 4.48Å; I174-L199 HydrophobicContact CD1-CD2 4.12Å
175G89.8Confident88.7Confident23 Ų2359.8 Ų59.824%0.23735%0.349CS..Hα-helixtrans-55.7-51.5173.400000113.1M171 H172 L173 T177 T178 L179M171-G175 PolarHBondContact O-N 3.37Å; H172-G175 PolarHBondContact O-N 3.33Å; L173-G175 VanDerWaalsContact C-N 3.33Å; G175-T177 VanDerWaalsContact C-N 3.34Å; G175-T177 PolarHBondContact O-N 2.96Å; G175-T178 PolarHBondContact O-N 3.26Å; G175-T178 PolarHBondContact O-OG1 2.89Å; G175-L179 PolarHBondContact O-N 3.29Å
176S88.7Confident88.7Confident41 Ų4164.7 Ų64.729%0.28737%0.374SS..Hα-helixtrans-65.9-36.4179.966.20000112.5H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 3.31Å; H172-S176 PolarHBondContact O-OG 3.18Å; L173-S176 PolarHBondContact O-OG 2.99Å; L173-S176 VanDerWaalsContact O-OG 3.09Å; I174-S176 PolarHBondContact O-N 3.44Å; S176-L179 PolarHBondContact O-N 2.86Å; S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 3.39Å
177T88.1Confident88.8Confident64 Ų6466.7 Ų66.739%0.39338%0.382SS..Hα-helixtrans-67.9-38.5174.456.80000112.3L173 I174 G175 L179 A180 M181L173-T177 VanDerWaalsContact O-CG2 3.27Å; L173-T177 WeakPolarHBondContact O-CG2 3.48Å; L173-T177 PolarHBondContact O-N 3.48Å; L173-T177 PolarHBondContact O-OG1 3.48Å; L173-T177 VanDerWaalsContact O-OG1 3.06Å; I174-T177 WeakPolarHBondContact CA-OG1 3.34Å; I174-T177 PolarHBondContact O-N 3.32Å; I174-T177 PolarHBondContact O-OG1 3.15Å; G175-T177 VanDerWaalsContact C-N 3.34Å; G175-T177 PolarHBondContact O-N 2.96Å; T177-L179 VanDerWaalsContact C-N 3.32Å; T177-L179 PolarHBondContact O-N 3.2Å; T177-A180 PolarHBondContact O-N 3.28Å; T177-M181 WeakPolarHBondContact O-CB 3.48Å; T177-M181 VanDerWaalsContact O-CG 3.23Å; T177-M181 WeakPolarHBondContact O-CG 3.26Å; T177-M181 PolarHBondContact O-N 2.93Å
178T90.5Very high88.8Confident24 Ų2468.1 Ų68.115%0.14739%0.391CS..Hα-helixtrans-61.2-42.2173.461.20000111.5I174 G175 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.28Å; I174-T178 VanDerWaalsContact O-CG2 3.29Å; I174-T178 WeakPolarHBondContact O-CG2 3.49Å; I174-T178 PolarHBondContact O-N 3.45Å; I174-T178 PolarHBondContact O-OG1 2.96Å; G175-T178 PolarHBondContact O-N 3.26Å; G175-T178 PolarHBondContact O-OG1 2.89Å; T178-S182 PolarHBondContact O-N 3.05Å; T178-I192 HydrophobicContact CG2-CB 3.86Å; T178-I192 HydrophobicContact CG2-CG2 3.35Å
179L89.3Confident89Confident131 Ų13167.6 Ų67.669%0.68639%0.39SS*.Hα-helixtrans-64.6-45.6178-165.3101.3000111.1G175 S176 T177 S182G175-L179 PolarHBondContact O-N 3.29Å; S176-L179 PolarHBondContact O-N 2.86Å; T177-L179 VanDerWaalsContact C-N 3.32Å; T177-L179 PolarHBondContact O-N 3.2Å; L179-S182 WeakPolarHBondContact O-CB 3.29Å; L179-S182 PolarHBondContact O-N 3.39Å; L179-S182 PolarHBondContact O-OG 3.37Å
180A88.3Confident89.2Confident50 Ų5071.2 Ų71.241%0.41341%0.409SS..Hα-helixtrans-62.4-46.117800000111.9S176 T177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 3.39Å; T177-A180 PolarHBondContact O-N 3.28Å; A180-S182 PolarHBondContact O-N 3.14Å; A180-T183 PolarHBondContact O-N 3.32Å; A180-T183 PolarHBondContact O-OG1 2.87Å
181M87.4Confident89.3Confident66 Ų6672.5 Ų72.533%0.32542%0.415SS..Hα-helixtrans-68.3-22.4179.8-66.5-63.5114.300112.8T177 T183 I184 N185 T189 I192T177-M181 WeakPolarHBondContact O-CB 3.48Å; T177-M181 VanDerWaalsContact O-CG 3.23Å; T177-M181 WeakPolarHBondContact O-CG 3.26Å; T177-M181 PolarHBondContact O-N 2.93Å; M181-T183 PolarHBondContact O-N 3.46Å; M181-T183 VanDerWaalsContact O-N 3.17Å; M181-I184 HydrophobicContact CE-CD1 3.74Å; M181-I184 PolarHBondContact O-N 3.35Å; M181-I184 HydrophobicContact SD-CD1 4.19Å; M181-N185 PolarHBondContact O-N 3.21Å; M181-N185 VanDerWaalsContact O-N 3.09Å; M181-T189 HydrophobicContact CB-CG2 3.63Å; M181-T189 WeakPolarHBondContact O-CG2 3.45Å; M181-I192 HydrophobicContact CB-CD1 4.28Å; M181-I192 HydrophobicContact CG-CD1 3.79Å
182S87.8Confident89.4Confident65 Ų6573 Ų7346%0.45542%0.418SS..Hα-helixtrans-58.8-30.1-179.676.80000112.4T178 L179 A180 T189T178-S182 PolarHBondContact O-N 3.05Å; L179-S182 WeakPolarHBondContact O-CB 3.29Å; L179-S182 PolarHBondContact O-N 3.39Å; L179-S182 PolarHBondContact O-OG 3.37Å; A180-S182 PolarHBondContact O-N 3.14Å; S182-T189 VanDerWaalsContact N-CG2 3.27Å
183T87Confident89.6Confident119 Ų11974.5 Ų74.573%0.7342%0.424SS*.THydrogen-bonded Turntrans-81.4-18.7178.965.90000113.5A180 M181A180-T183 PolarHBondContact O-N 3.32Å; A180-T183 PolarHBondContact O-OG1 2.87Å; M181-T183 PolarHBondContact O-N 3.46Å; M181-T183 VanDerWaalsContact O-N 3.17Å
184I88.1Confident89.7Confident105 Ų10574.1 Ų74.154%0.53843%0.425SS..THydrogen-bonded Turntrans-99.9-61.1-172.2-56.6171.2000110.7M181M181-I184 HydrophobicContact CE-CD1 3.74Å; M181-I184 PolarHBondContact O-N 3.35Å; M181-I184 HydrophobicContact SD-CD1 4.19Å
185N89.1Confident89.9Confident95 Ų9576.6 Ų76.651%0.50844%0.438SS..  trans-146.2111.5-170.8-85-18.4000112.5M181 P187 S188 T189M181-N185 PolarHBondContact O-N 3.21Å; M181-N185 VanDerWaalsContact O-N 3.09Å; N185-P187 VanDerWaalsContact C-CD 3.5Å; N185-S188 WeakPolarHBondContact CB-OG 3.23Å; N185-S188 PolarHBondContact O-N 3.33Å; N185-S188 PolarHBondContact O-OG 2.95Å; N185-T189 WeakPolarHBondContact O-CG2 3.35Å; N185-T189 PolarHBondContact O-N 2.95Å
186L87.5Confident90.1Very high141 Ų14177 Ų7774%0.73843%0.434SS*.Hα-helixtrans-57.2-39.8178.4-155.593.3000116S188 T189 L190L186-S188 PolarHBondContact O-N 2.99Å; L186-T189 PolarHBondContact O-N 2.97Å; L186-T189 PolarHBondContact O-OG1 3.37Å; L186-L190 PolarHBondContact O-N 3.43Å
187P88.9Confident90.3Very high95 Ų9578.7 Ų78.762%0.61744%0.44SS*.Hα-helixtrans-70.9-34.5-17925.7-32.8000112.1N185 T189N185-P187 VanDerWaalsContact C-CD 3.5Å; P187-T189 VanDerWaalsContact C-N 3.33Å
188S87.8Confident90.6Very high37 Ų3781.4 Ų81.426%0.25945%0.451SS..Hα-helixtrans-68.6-33.4177.569.80000112.3N185 L186 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.23Å; N185-S188 PolarHBondContact O-N 3.33Å; N185-S188 PolarHBondContact O-OG 2.95Å; L186-S188 PolarHBondContact O-N 2.99Å; S188-I191 PolarHBondContact O-N 3.46Å; S188-I192 WeakPolarHBondContact O-CG1 3.12Å; S188-I192 PolarHBondContact O-N 3.25Å
189T92.1Very high90.8Very high21 Ų2181.4 Ų81.413%0.12945%0.45CS..Hα-helixtrans-70-36.7-179.961.90000111.8M181 S182 N185 L186 P187 I191 I192 F193M181-T189 HydrophobicContact CB-CG2 3.63Å; M181-T189 WeakPolarHBondContact O-CG2 3.45Å; S182-T189 VanDerWaalsContact N-CG2 3.27Å; N185-T189 WeakPolarHBondContact O-CG2 3.35Å; N185-T189 PolarHBondContact O-N 2.95Å; L186-T189 PolarHBondContact O-N 2.97Å; L186-T189 PolarHBondContact O-OG1 3.37Å; P187-T189 VanDerWaalsContact C-N 3.33Å; T189-I191 VanDerWaalsContact C-N 3.26Å; T189-I191 PolarHBondContact O-N 3.09Å; T189-I192 PolarHBondContact O-N 3.38Å; T189-F193 WeakPolarHBondContact O-CB 3.01Å; T189-F193 PolarHBondContact O-N 3.36Å
190L91.6Very high90.9Very high115 Ų11577.6 Ų77.660%0.60243%0.432SS*.Hα-helixtrans-59.4-41.1175.3-163.178.6000111L186 F193 T194L186-L190 PolarHBondContact O-N 3.43Å; L190-F193 PolarHBondContact O-N 2.84Å; L190-T194 WeakPolarHBondContact O-CG2 3.27Å; L190-T194 PolarHBondContact O-N 3.32Å; L190-T194 PolarHBondContact O-OG1 3.06Å
191I92.9Very high91.1Very high107 Ų10780 Ų8055%0.54944%0.437SS..Hα-helixtrans-65.7-45177.9-61.3166.3000111.1S188 T189 F193 T194 I195S188-I191 PolarHBondContact O-N 3.46Å; T189-I191 VanDerWaalsContact C-N 3.26Å; T189-I191 PolarHBondContact O-N 3.09Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.95Å; I191-T194 PolarHBondContact O-N 3.4Å; I191-T194 PolarHBondContact O-OG1 2.94Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.44Å; I191-I195 PolarHBondContact O-N 3.45Å
192I93.1Very high91.3Very high41 Ų4181.7 Ų81.721%0.2145%0.447CS..Hα-helixtrans-69.9-34179.8-55.1166.9000110.4I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.84Å; T178-I192 HydrophobicContact CG2-CB 3.86Å; T178-I192 HydrophobicContact CG2-CG2 3.35Å; M181-I192 HydrophobicContact CB-CD1 4.28Å; M181-I192 HydrophobicContact CG-CD1 3.79Å; S188-I192 WeakPolarHBondContact O-CG1 3.12Å; S188-I192 PolarHBondContact O-N 3.25Å; T189-I192 PolarHBondContact O-N 3.38Å; I192-I195 WeakPolarHBondContact O-CB 3.48Å; I192-I195 PolarHBondContact O-N 2.88Å; I192-L196 PolarHBondContact O-N 3.48Å
193F92.5Very high91.4Very high108 Ų10879.2 Ų79.247%0.47443%0.428SS..Hα-helixtrans-66.8-38.9176-174.7-106.5000112.5T189 L190 I191 I195 L196 I197T189-F193 WeakPolarHBondContact O-CB 3.01Å; T189-F193 PolarHBondContact O-N 3.36Å; L190-F193 PolarHBondContact O-N 2.84Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.95Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.06Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.25Å; F193-L196 PolarHBondContact O-N 3.37Å; F193-I197 HydrophobicContact CD1-CD1 3.84Å; F193-I197 HydrophobicContact CE1-CD1 3.48Å; F193-I197 VanDerWaalsContact CE1-CD1 3.48Å; F193-I197 HydrophobicContact CE1-CG1 4.28Å; F193-I197 HydrophobicContact CZ-CD1 4.07Å; F193-I197 HydrophobicContact CZ-CG1 4.45Å; F193-I197 WeakPolarHBondContact O-CG1 3.22Å; F193-I197 PolarHBondContact O-N 3.43Å
194T93.6Very high91.6Very high76 Ų7677.6 Ų77.647%0.46641%0.414SS..Hα-helixtrans-64.9-36.9172.956.60000111.7L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.27Å; L190-T194 PolarHBondContact O-N 3.32Å; L190-T194 PolarHBondContact O-OG1 3.06Å; I191-T194 PolarHBondContact O-N 3.4Å; I191-T194 PolarHBondContact O-OG1 2.94Å; T194-I197 PolarHBondContact O-N 3.46Å; T194-L198 PolarHBondContact O-N 2.88Å
195I94.4Very high91.8Very high85 Ų8574.7 Ų74.744%0.43641%0.406SS..Hα-helixtrans-62.1-42.1172.5-65.7166.3000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.08Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.44Å; I191-I195 PolarHBondContact O-N 3.45Å; I192-I195 WeakPolarHBondContact O-CB 3.48Å; I192-I195 PolarHBondContact O-N 2.88Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.06Å; I195-I197 PolarHBondContact O-N 3.31Å; I195-L198 PolarHBondContact O-N 3.43Å; I195-L199 WeakPolarHBondContact O-CB 3.34Å; I195-L199 PolarHBondContact O-N 3.16Å
196L93.5Very high91.9Very high31 Ų3172 Ų7216%0.16239%0.393CS..Hα-helixtrans-60.3-43.6175.9-17767.2000111.8I174 I192 F193 L199 T200I174-L196 HydrophobicContact CB-CD1 4.12Å; I174-L196 HydrophobicContact CG2-CB 3.91Å; I174-L196 HydrophobicContact CG2-CD1 3.95Å; I174-L196 HydrophobicContact CG2-CG 4.48Å; I192-L196 PolarHBondContact O-N 3.48Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.25Å; F193-L196 PolarHBondContact O-N 3.37Å; L196-L199 PolarHBondContact O-N 3.12Å; L196-T200 WeakPolarHBondContact O-CG2 3.31Å; L196-T200 PolarHBondContact O-N 3.02Å
197I92.9Very high92Very high77 Ų7765.5 Ų65.540%0.39536%0.359SS..Hα-helixtrans-62.4-45.4175.9-67.3165.4000110.6F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.84Å; F193-I197 HydrophobicContact CE1-CD1 3.48Å; F193-I197 VanDerWaalsContact CE1-CD1 3.48Å; F193-I197 HydrophobicContact CE1-CG1 4.28Å; F193-I197 HydrophobicContact CZ-CD1 4.07Å; F193-I197 HydrophobicContact CZ-CG1 4.45Å; F193-I197 WeakPolarHBondContact O-CG1 3.22Å; F193-I197 PolarHBondContact O-N 3.43Å; T194-I197 PolarHBondContact O-N 3.46Å; I195-I197 PolarHBondContact O-N 3.31Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.32Å; I197-T200 PolarHBondContact O-N 3.48Å; I197-T200 PolarHBondContact O-OG1 2.63Å; I197-I201 HydrophobicContact CG2-CD1 4.12Å; I197-I201 WeakPolarHBondContact O-CG1 3.3Å; I197-I201 PolarHBondContact O-N 3.07Å; I197-I201 VanDerWaalsContact O-N 3.16Å
198L94.8Very high92Very high121 Ų12166.2 Ų66.263%0.63436%0.357SS*.Hα-helixtrans-61.3-40.2178.7-175.364.8000111.7T194 I195 I201 L202T194-L198 PolarHBondContact O-N 2.88Å; I195-L198 PolarHBondContact O-N 3.43Å; L198-I201 PolarHBondContact O-N 2.95Å; L198-L202 PolarHBondContact O-N 2.98Å
199L93.3Very high92.2Very high23 Ų2369.1 Ų69.112%0.1237%0.369CS..Hα-helixtrans-63.9-42.5176.8-17972.5000112.3L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.45Å; L170-L199 HydrophobicContact CD2-CD1 3.64Å; L170-L199 HydrophobicContact CD2-CD2 3.19Å; L170-L199 HydrophobicContact CD2-CG 4.02Å; L170-L199 HydrophobicContact CG-CD2 4.4Å; M171-L199 HydrophobicContact CB-CD2 4.31Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.15Å; I174-L199 HydrophobicContact CD1-CD2 4.12Å; I195-L199 WeakPolarHBondContact O-CB 3.34Å; I195-L199 PolarHBondContact O-N 3.16Å; L196-L199 PolarHBondContact O-N 3.12Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.32Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 3.14Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.4Å; L199-L202 PolarHBondContact O-N 3.17Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L199-E203 PolarHBondContact O-N 2.88Å
200T91.4Very high92Very high52 Ų5268.6 Ų68.632%0.31937%0.365SS..Hα-helixtrans-63.5-38.3178.456.60000111.5M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.81Å; L196-T200 WeakPolarHBondContact O-CG2 3.31Å; L196-T200 PolarHBondContact O-N 3.02Å; I197-T200 PolarHBondContact O-N 3.48Å; I197-T200 PolarHBondContact O-OG1 2.63Å; T200-E203 PolarHBondContact O-N 3.02Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.43Å; T200-I204 PolarHBondContact O-N 2.99Å
201I92.9Very high92Very high101 Ų10163.2 Ų63.252%0.51834%0.337SS..Hα-helixtrans-62.4-44173.5-65166.8000110.9I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.12Å; I197-I201 WeakPolarHBondContact O-CG1 3.3Å; I197-I201 PolarHBondContact O-N 3.07Å; I197-I201 VanDerWaalsContact O-N 3.16Å; L198-I201 PolarHBondContact O-N 2.95Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 3.14Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.82Å; I201-I204 PolarHBondContact O-N 3.48Å; I201-A205 PolarHBondContact O-N 3.22Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L91.8Very high91.8Very high101 Ų10162.8 Ų62.853%0.52933%0.329SS..Hα-helixtrans-59.8-45.1176.1179.466.9000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 2.98Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.4Å; L199-L202 PolarHBondContact O-N 3.17Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L202-I204 PolarHBondContact O-N 2.94Å; L202-A205 WeakPolarHBondContact O-CB 3.47Å; L202-A205 PolarHBondContact O-N 3.05Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.47Å
203E90.9Very high91.7Very high13 Ų1362.8 Ų62.86%0.06133%0.331CS..Hα-helixtrans-67.1-36.9-177.2-162.165.3-161.900112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.44Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.33Å; M171-E203 HydrophobicContact CE-CG 4.13Å; L199-E203 PolarHBondContact O-N 2.88Å; T200-E203 PolarHBondContact O-N 3.02Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.82Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.91Å; E203-V206 PolarHBondContact O-N 3.48Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.32Å; E203-A207 PolarHBondContact O-N 3.44Å
204I91.1Very high91.4Very high85 Ų8557.7 Ų57.744%0.43631%0.309SS..Hα-helixtrans-59.1-43.4171.4-67.3164.8000110.6L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.19Å; L87-I204 HydrophobicContact CD1-CG1 3.59Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.43Å; T200-I204 PolarHBondContact O-N 2.99Å; I201-I204 PolarHBondContact O-N 3.48Å; L202-I204 PolarHBondContact O-N 2.94Å; I204-L208 PolarHBondContact O-N 3.37Å
205A91.9Very high91.2Very high44 Ų4454 Ų5436%0.36429%0.286SS..Hα-helixtrans-65.5-45.8177.300000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.22Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.47Å; L202-A205 PolarHBondContact O-N 3.05Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.91Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.31Å; A205-L208 PolarHBondContact O-N 3.27Å; A205-I209 WeakPolarHBondContact O-CB 3.27Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.29Å; A205-I209 PolarHBondContact O-N 3.26Å
206V91.8Very high90.8Very high39 Ų3952.9 Ų52.924%0.23628%0.281CS..Hα-helixtrans-61-42.41781730000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.04Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.47Å; E203-V206 PolarHBondContact O-N 3.48Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 3.45Å; V206-I209 PolarHBondContact O-N 2.95Å; V206-Q210 WeakPolarHBondContact O-CB 3.41Å; V206-Q210 PolarHBondContact O-N 2.82Å
207A89.3Confident90.5Very high4 Ų453.1 Ų53.13%0.03328%0.282CS..Hα-helixtrans-57.8-42.2178.100000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 2.93Å; L87-A207 HydrophobicContact CD1-CB 4.12Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.32Å; E203-A207 PolarHBondContact O-N 3.44Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.31Å; A207-A211 PolarHBondContact O-N 2.67Å
208L89.3Confident90.1Very high110 Ų11049.8 Ų49.858%0.57627%0.265SS*.Hα-helixtrans-75.1-44.7179.1-170.1149.7000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.37Å; A205-L208 PolarHBondContact O-N 3.27Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 3.45Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.06Å; L208-A211 PolarHBondContact O-N 3.48Å; L208-Y212 PolarHBondContact O-N 3.03Å; L208-Y212 VanDerWaalsContact O-N 3.15Å
209I90.9Very high89.7Confident98 Ų9844.5 Ų44.550%0.50324%0.238SC..Hα-helixtrans-60.8-40.8177.8-69166.8000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.27Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.29Å; A205-I209 PolarHBondContact O-N 3.26Å; V206-I209 PolarHBondContact O-N 2.95Å; I209-A211 PolarHBondContact O-N 2.83Å; I209-Y212 WeakPolarHBondContact O-CB 3.4Å; I209-Y212 PolarHBondContact O-N 3.04Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.08Å; I209-V213 PolarHBondContact O-N 3.47Å
210Q89.1Confident89.3Confident10 Ų1047.1 Ų47.15%0.04725%0.252CS..Hα-helixtrans-67-38-178.1-173.963.37.700112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å; L160-Q210 VanDerWaalsContact CA-NE2 3.28Å; L160-Q210 HydrophobicContact CB-CG 4.25Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.4Å; L160-Q210 VanDerWaalsContact CD1-CG 3.4Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; V206-Q210 WeakPolarHBondContact O-CB 3.41Å; V206-Q210 PolarHBondContact O-N 2.82Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.06Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.44Å; Q210-F214 PolarHBondContact O-N 2.86Å
211A89.6Confident88.7Confident1 Ų145.7 Ų45.71%0.00824%0.241CC..Hα-helixtrans-60.9-43.9171.700000111.2I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.47Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; A80-A211 HydrophobicContact CB-CB 3.95Å; A207-A211 PolarHBondContact O-N 2.67Å; L208-A211 PolarHBondContact O-N 3.48Å; I209-A211 PolarHBondContact O-N 2.83Å; A211-T215 VanDerWaalsContact O-CG2 3.25Å; A211-T215 WeakPolarHBondContact O-CG2 3.38Å; A211-T215 PolarHBondContact O-N 3.41Å; A211-T215 PolarHBondContact O-OG1 2.95Å
212Y89.8Confident88.2Confident99 Ų9940.9 Ų40.939%0.38822%0.216SC..Hα-helixtrans-63-52.5176.9178-101.3000112.4M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.4Å; I76-Y212 HydrophobicContact CD1-CD2 4.13Å; L208-Y212 PolarHBondContact O-N 3.03Å; L208-Y212 VanDerWaalsContact O-N 3.15Å; I209-Y212 WeakPolarHBondContact O-CB 3.4Å; I209-Y212 PolarHBondContact O-N 3.04Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.27Å; Y212-F214 PolarHBondContact O-N 3.02Å; Y212-T215 PolarHBondContact O-N 2.79Å; Y212-T215 VanDerWaalsContact O-N 3.15Å; Y212-T215 PolarHBondContact O-OG1 3.28Å; Y212-L216 HydrophobicContact CE1-CD1 3.64Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.32Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.37Å
213V89.9Confident87.7Confident41 Ų4140.2 Ų40.225%0.24821%0.21CC..Hα-helixtrans-59.9-38.8-179.9172.10000111.4I209 L216 L217I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.08Å; I209-V213 PolarHBondContact O-N 3.47Å; V213-L216 PolarHBondContact O-N 3.33Å; V213-L217 HydrophobicContact CG1-CD1 3.92Å; V213-L217 WeakPolarHBondContact O-CG 3.23Å; V213-L217 PolarHBondContact O-N 3.26Å
214F87.1Confident87.1Confident0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-57.4-52.7175.7-173.7-74.6000110.9L75 I79 A105 L108 L156 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.31Å; L75-F214 HydrophobicContact CD2-CD1 3.45Å; L75-F214 VanDerWaalsContact CD2-CD1 3.45Å; L75-F214 HydrophobicContact CD2-CE1 3.51Å; L75-F214 HydrophobicContact CG-CE1 4.46Å; I79-F214 HydrophobicContact CD1-CB 4.28Å; I79-F214 HydrophobicContact CD1-CD1 3.53Å; I79-F214 HydrophobicContact CD1-CD2 4.23Å; I79-F214 HydrophobicContact CD1-CE1 3.86Å; I79-F214 HydrophobicContact CD1-CE2 4.49Å; I79-F214 HydrophobicContact CD1-CG 3.76Å; I79-F214 HydrophobicContact CD1-CZ 4.32Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.18Å; L108-F214 HydrophobicContact CD1-CE1 4.04Å; L108-F214 HydrophobicContact CD1-CZ 4.42Å; L156-F214 HydrophobicContact CD1-CD2 4.24Å; L156-F214 HydrophobicContact CD1-CG 4.48Å; L156-F214 HydrophobicContact CD2-CD1 4.09Å; L156-F214 HydrophobicContact CD2-CD2 3.32Å; L156-F214 HydrophobicContact CD2-CE1 3.9Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.44Å; L156-F214 VanDerWaalsContact CD2-CZ 3.44Å; L156-F214 HydrophobicContact CG-CD2 3.47Å; L156-F214 VanDerWaalsContact CG-CD2 3.47Å; L156-F214 HydrophobicContact CG-CE2 3.67Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.44Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.44Å; Q210-F214 PolarHBondContact O-N 2.86Å; Y212-F214 VanDerWaalsContact C-N 3.27Å; Y212-F214 PolarHBondContact O-N 3.02Å; F214-L217 PolarHBondContact O-N 3.16Å; F214-V218 HydrophobicContact CD1-CG2 4.23Å; F214-V218 HydrophobicContact CE1-CG2 3.99Å; F214-V218 WeakPolarHBondContact O-CG2 3.4Å; F214-V218 PolarHBondContact O-N 3.39Å
215T88.6Confident86.2Confident0 Ų040.5 Ų40.50%021%0.213CC..Hα-helixtrans-69.5-35.6-176.659.80000112.9M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.33Å; L75-T215 HydrophobicContact CD2-CG2 3.37Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.44Å; I76-T215 VanDerWaalsContact CB-CG2 3.44Å; I76-T215 HydrophobicContact CG1-CG2 3.98Å; A211-T215 VanDerWaalsContact O-CG2 3.25Å; A211-T215 WeakPolarHBondContact O-CG2 3.38Å; A211-T215 PolarHBondContact O-N 3.41Å; A211-T215 PolarHBondContact O-OG1 2.95Å; Y212-T215 PolarHBondContact O-N 2.79Å; Y212-T215 VanDerWaalsContact O-N 3.15Å; Y212-T215 PolarHBondContact O-OG1 3.28Å; T215-V218 PolarHBondContact O-N 3.25Å; T215-S219 WeakPolarHBondContact O-CB 3.43Å; T215-S219 PolarHBondContact O-N 3.37Å
216L87.7Confident85.2Confident61 Ų6140 Ų4032%0.31921%0.206SC..Hα-helixtrans-64.3-44.2177.3-175.6148.6000110.9Y212 V213 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.64Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.32Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.37Å; V213-L216 PolarHBondContact O-N 3.33Å; L216-S219 WeakPolarHBondContact CA-OG 3.42Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.29Å; L216-S219 PolarHBondContact O-N 2.62Å; L216-S219 VanDerWaalsContact O-N 3.17Å; L216-S219 PolarHBondContact O-OG 2.91Å; L216-L220 WeakPolarHBondContact O-CB 3.43Å; L216-L220 PolarHBondContact O-N 2.77Å
217L86.2Confident84.8Confident36 Ų3640.1 Ų40.119%0.18820%0.204CC..Hα-helixtrans-63.1-43.7177-76167.1000111.6L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.85Å; L156-L217 HydrophobicContact CD1-CD1 3.36Å; L156-L217 HydrophobicContact CD1-CG 4.24Å; V213-L217 HydrophobicContact CG1-CD1 3.92Å; V213-L217 WeakPolarHBondContact O-CG 3.23Å; V213-L217 PolarHBondContact O-N 3.26Å; F214-L217 PolarHBondContact O-N 3.16Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.97Å; L217-L220 PolarHBondContact O-N 3.22Å; L217-Y221 HydrophobicContact CB-CE2 4.12Å; L217-Y221 WeakPolarHBondContact O-CD2 3.41Å; L217-Y221 WeakPolarHBondContact O-CE2 3.45Å; L217-Y221 PolarHBondContact O-N 3.48Å
218V85.5Confident84.6Confident6 Ų641.9 Ų41.94%0.03621%0.213CC..Hα-helixtrans-59.3-40.7173.3178.10000111.5L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.21Å; L72-V218 HydrophobicContact CD2-CG1 3.85Å; L108-V218 HydrophobicContact CB-CG1 4.34Å; L156-V218 HydrophobicContact CD2-CG2 4.37Å; F214-V218 HydrophobicContact CD1-CG2 4.23Å; F214-V218 HydrophobicContact CE1-CG2 3.99Å; F214-V218 WeakPolarHBondContact O-CG2 3.4Å; F214-V218 PolarHBondContact O-N 3.39Å; T215-V218 PolarHBondContact O-N 3.25Å; V218-Y221 PolarHBondContact O-N 3.18Å; V218-L222 PolarHBondContact O-N 2.98Å; V218-L222 VanDerWaalsContact O-N 3.07Å
219S85.9Confident84.3Confident11 Ų1138.2 Ų38.28%0.07719%0.193CC..Hα-helixtrans-66.8-38.1177.385.70000112.1H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-O 3.17Å; H61-S219 PolarHBondContact NE2-O 3.09Å; T215-S219 WeakPolarHBondContact O-CB 3.43Å; T215-S219 PolarHBondContact O-N 3.37Å; L216-S219 WeakPolarHBondContact CA-OG 3.42Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.29Å; L216-S219 PolarHBondContact O-N 2.62Å; L216-S219 VanDerWaalsContact O-N 3.17Å; L216-S219 PolarHBondContact O-OG 2.91Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.97Å; S219-L222 WeakPolarHBondContact O-CB 3.11Å; S219-L222 PolarHBondContact O-N 2.77Å; S219-H223 PolarHBondContact O-N 3.33Å
220L84.2Confident83.9Confident77 Ų7734.6 Ų34.640%0.40318%0.175SC..Hα-helixtrans-66.2-42.2176.8-170.4150.5000110.8L216 L217 L222 H223 D224L216-L220 WeakPolarHBondContact O-CB 3.43Å; L216-L220 PolarHBondContact O-N 2.77Å; L217-L220 PolarHBondContact O-N 3.22Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.17Å; L220-H223 WeakPolarHBondContact O-CA 3.21Å; L220-H223 WeakPolarHBondContact O-CB 3.44Å; L220-H223 PolarHBondContact O-N 3.5Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.5Å; L220-D224 PolarHBondContact O-N 2.82Å
221Y79.9Confident83.6Confident22 Ų2236.2 Ų36.29%0.08618%0.183CC..Hα-helixtrans-60.9-38.6173.1-60.6-48.5000112.5Q152 L217 V218 H223 D224 N225Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.42Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.3Å; Q152-Y221 PolarHBondContact NE2-OH 3.26Å; Q152-Y221 PolarHBondContact OE1-OH 3.45Å; L217-Y221 HydrophobicContact CB-CE2 4.12Å; L217-Y221 WeakPolarHBondContact O-CD2 3.41Å; L217-Y221 WeakPolarHBondContact O-CE2 3.45Å; L217-Y221 PolarHBondContact O-N 3.48Å; V218-Y221 PolarHBondContact O-N 3.18Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-D224 PolarHBondContact O-N 3.27Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.38Å; Y221-N225 PolarHBondContact O-N 2.8Å; Y221-N225 VanDerWaalsContact O-N 3.09Å; Y221-N225 PolarHBondContact O-ND2 3.41Å
222L81.4Confident83.2Confident1 Ų138.5 Ų38.51%0.00519%0.194CC..Hα-helixtrans-64.9-40.1175.6-169.373.7000111W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.45Å; W68-L222 VanDerWaalsContact CB-CD2 3.45Å; W68-L222 HydrophobicContact CD2-CD1 3.65Å; W68-L222 HydrophobicContact CD2-CD2 4Å; W68-L222 HydrophobicContact CD2-CG 4.5Å; W68-L222 HydrophobicContact CE3-CD1 3.78Å; W68-L222 HydrophobicContact CE3-CD2 4.23Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.6Å; W68-L222 HydrophobicContact CG-CG 4.47Å; W68-L222 HydrophobicContact CZ3-CD1 4.28Å; A112-L222 HydrophobicContact CB-CD1 4.47Å; M115-L222 HydrophobicContact SD-CD1 4.19Å; V218-L222 PolarHBondContact O-N 2.98Å; V218-L222 VanDerWaalsContact O-N 3.07Å; S219-L222 WeakPolarHBondContact O-CB 3.11Å; S219-L222 PolarHBondContact O-N 2.77Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.17Å; L222-N225 PolarHBondContact O-N 3.42Å; L222-T226 HydrophobicContact CD1-CG2 4.34Å; L222-T226 HydrophobicContact CG-CG2 4.27Å; L222-T226 WeakPolarHBondContact O-CB 3.21Å; L222-T226 WeakPolarHBondContact O-CG2 3.35Å; L222-T226 PolarHBondContact O-N 2.96Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.3Å
223H81.4Confident82.7Confident87 Ų8734.2 Ų34.240%0.40318%0.18SC..Hα-helixtrans-60.3-50.9175.3-17584.9000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.1Å; M60-H223 PolarHBondContact O-ND1 3.42Å; S219-H223 PolarHBondContact O-N 3.33Å; L220-H223 WeakPolarHBondContact O-CA 3.21Å; L220-H223 WeakPolarHBondContact O-CB 3.44Å; L220-H223 PolarHBondContact O-N 3.5Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.38Å; H223-T226 PolarHBondContact O-N 3.37Å; H223-T226 VanDerWaalsContact O-N 3.14Å; H223-T226 PolarHBondContact O-OG1 3.47Å
224D77.8Confident82.2Confident73 Ų7333.7 Ų33.739%0.3918%0.175SC..Hα-helixtrans-61.8-31-179.3-65-16000112.5L220 Y221L220-D224 WeakPolarHBondContact CD2-OD2 3.5Å; L220-D224 PolarHBondContact O-N 2.82Å; Y221-D224 PolarHBondContact O-N 3.27Å
225N74Confident81.8Confident31 Ų3136.5 Ų36.517%0.16619%0.19CC..THydrogen-bonded Turntrans-91-1.5180-74.5-72.5000114.6G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.23Å; G116-N225 WeakPolarHBondContact CA-O 3.34Å; S119-N225 PolarHBondContact OG-O 3.3Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.38Å; Y221-N225 PolarHBondContact O-N 2.8Å; Y221-N225 VanDerWaalsContact O-N 3.09Å; Y221-N225 PolarHBondContact O-ND2 3.41Å; L222-N225 PolarHBondContact O-N 3.42Å; H223-N225 PolarHBondContact O-N 3.38Å
226T68.9Low81.2Confident33 Ų3339.8 Ų39.820%0.20221%0.207CC..  trans-108.30-178.151.60000115.2M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.41Å; K120-T226 WeakPolarHBondContact CE-O 3.28Å; K120-T226 PolarHBondContact NZ-O 3.19Å; K120-T226 PolarHBondContact NZ-OXT 3.18Å; L222-T226 HydrophobicContact CD1-CG2 4.34Å; L222-T226 HydrophobicContact CG-CG2 4.27Å; L222-T226 WeakPolarHBondContact O-CB 3.21Å; L222-T226 WeakPolarHBondContact O-CG2 3.35Å; L222-T226 PolarHBondContact O-N 2.96Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.3Å; H223-T226 PolarHBondContact O-N 3.37Å; H223-T226 VanDerWaalsContact O-N 3.14Å; H223-T226 PolarHBondContact O-OG1 3.47Å

Retrieved 226 of 226 residues in 210.5 ms (Link to these results)

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