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NADH-ubiquinone oxidoreductase chain 4L

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Part of the enzyme membrane arm which is embedded in the lipid bilayer and involved in proton translocation.

AlphaFold DB , UniProt , Accession A0A059RHY0, Species HUMAN (Homo sapiens, Human), Gene ND4L, Length 95 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
1I86.6Confident92.5Very high149 Ų14988 Ų8876%0.76446%0.458SS*.  0-57.20-61.7163.4000110.4M3 N4 I5 L43I1-M3 PolarHBondContact O-N 3.26Å; I1-N4 PolarHBondContact O-N 2.64Å; I1-I5 HydrophobicContact CG2-CD1 3.68Å; I1-I5 HydrophobicContact CG2-CG1 4.48Å; I1-I5 PolarHBondContact O-N 3.08Å; I1-I5 VanDerWaalsContact O-N 3.13Å; I1-L43 HydrophobicContact CG2-CD1 3.65Å
2Y89.5Confident92.5Very high69 Ų6982.1 Ų82.127%0.27143%0.43SS..Hα-helixtrans-51.1-46.9176.9-63.8-61.4000114.5N4 I5 M6 M40 L43 M44 N47Y2-N4 VanDerWaalsContact C-N 3.32Å; Y2-N4 PolarHBondContact O-N 3.14Å; Y2-I5 PolarHBondContact O-N 3.39Å; Y2-M6 WeakPolarHBondContact O-CG 3.49Å; Y2-M6 PolarHBondContact O-N 3.41Å; Y2-M40 HydrophobicContact CD1-CE 4.06Å; Y2-M40 HydrophobicContact CD1-SD 3.4Å; Y2-M40 WeakPolarHBondContact CD1-SD 3.41Å; Y2-M40 HydrophobicContact CE1-SD 3.9Å; Y2-M40 HydrophobicContact CG-SD 4.47Å; Y2-L43 HydrophobicContact CE1-CB 3.72Å; Y2-L43 HydrophobicContact CE1-CD1 4.21Å; Y2-L43 PolarHBondContact OH-O 3.42Å; Y2-M44 HydrophobicContact CD1-CE 3.86Å; Y2-M44 HydrophobicContact CE1-CE 3.55Å; Y2-M44 HydrophobicContact CE1-CG 4.31Å; Y2-M44 HydrophobicContact CE1-SD 3.95Å; Y2-M44 HydrophobicContact CG-CE 4.46Å; Y2-N47 PolarHBondContact OH-ND2 2.98Å
3M92.1Very high92.4Very high144 Ų14480.5 Ų80.571%0.70942%0.422SS*.Hα-helixtrans-58.4-39.4176.4-64.2-59.3-73.400113.2I1 M6 L7I1-M3 PolarHBondContact O-N 3.26Å; M3-M6 PolarHBondContact O-N 3.04Å; M3-L7 WeakPolarHBondContact O-CB 3.49Å; M3-L7 VanDerWaalsContact O-CG 3.31Å; M3-L7 WeakPolarHBondContact O-CG 3.32Å; M3-L7 PolarHBondContact O-N 3.47Å
4N94Very high92.3Very high116 Ų11682.1 Ų82.162%0.6243%0.43SS*.Hα-helixtrans-69.6-36.5179.3-67.97.9000111.7I1 Y2 L7 A8I1-N4 PolarHBondContact O-N 2.64Å; Y2-N4 VanDerWaalsContact C-N 3.32Å; Y2-N4 PolarHBondContact O-N 3.14Å; N4-L7 PolarHBondContact O-N 3.21Å; N4-A8 PolarHBondContact O-N 2.97Å
5I94Very high92Very high18 Ų1878.7 Ų78.79%0.09242%0.422CS..Hα-helixtrans-70.3-40.5177.2-62.2160.6000110.3I1 Y2 L7 A8 F9 S36 I39 M40 L43I1-I5 HydrophobicContact CG2-CD1 3.68Å; I1-I5 HydrophobicContact CG2-CG1 4.48Å; I1-I5 PolarHBondContact O-N 3.08Å; I1-I5 VanDerWaalsContact O-N 3.13Å; Y2-I5 PolarHBondContact O-N 3.39Å; I5-L7 VanDerWaalsContact C-N 3.32Å; I5-L7 PolarHBondContact O-N 3.06Å; I5-A8 WeakPolarHBondContact O-CB 3.5Å; I5-A8 PolarHBondContact O-N 3.12Å; I5-F9 PolarHBondContact O-N 3.26Å; I5-S36 VanDerWaalsContact CG2-O 3.26Å; I5-S36 WeakPolarHBondContact CG2-O 3.47Å; I5-I39 HydrophobicContact CD1-CG2 3.64Å; I5-I39 HydrophobicContact CG1-CG2 4.24Å; I5-M40 HydrophobicContact CB-CE 3.79Å; I5-M40 HydrophobicContact CG2-CB 4.13Å; I5-M40 HydrophobicContact CG2-CE 3.67Å; I5-L43 HydrophobicContact CD1-CD1 3.3Å
6M92.9Very high91.7Very high98 Ų9876.6 Ų76.648%0.48341%0.41SS..Hα-helixtrans-62.1-40.6172.4-68.1-55.1-66.600111.5Y2 M3 F9 T10 M40Y2-M6 WeakPolarHBondContact O-CG 3.49Å; Y2-M6 PolarHBondContact O-N 3.41Å; M3-M6 PolarHBondContact O-N 3.04Å; M6-F9 WeakPolarHBondContact O-CB 3.41Å; M6-F9 PolarHBondContact O-N 3Å; M6-T10 WeakPolarHBondContact O-CG2 3.4Å; M6-T10 PolarHBondContact O-N 2.93Å; M6-T10 PolarHBondContact O-OG1 3.21Å; M6-M40 HydrophobicContact CG-CE 3.75Å; M6-M40 HydrophobicContact SD-CE 3.55Å; M6-M40 VanDerWaalsContact SD-CE 3.55Å
7L94.5Very high91.3Very high97 Ų9777.9 Ų77.951%0.50842%0.416SS..Hα-helixtrans-60.6-46.1172.9-76.3163.9000111.4M3 N4 I5 F9 T10 I11M3-L7 WeakPolarHBondContact O-CB 3.49Å; M3-L7 VanDerWaalsContact O-CG 3.31Å; M3-L7 WeakPolarHBondContact O-CG 3.32Å; M3-L7 PolarHBondContact O-N 3.47Å; N4-L7 PolarHBondContact O-N 3.21Å; I5-L7 VanDerWaalsContact C-N 3.32Å; I5-L7 PolarHBondContact O-N 3.06Å; L7-F9 VanDerWaalsContact C-N 3.31Å; L7-F9 PolarHBondContact O-N 2.86Å; L7-T10 WeakPolarHBondContact CA-OG1 3.5Å; L7-T10 PolarHBondContact O-N 3.1Å; L7-T10 VanDerWaalsContact O-N 3.13Å; L7-T10 PolarHBondContact O-OG1 3.25Å; L7-I11 WeakPolarHBondContact O-CD1 3.13Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.41Å; L7-I11 PolarHBondContact O-N 3.25Å
8A93.9Very high90.9Very high48 Ų4878.7 Ų78.740%0.39742%0.424SS..Hα-helixtrans-59.1-40.4175.800000112.5N4 I5 I11 S12N4-A8 PolarHBondContact O-N 2.97Å; I5-A8 WeakPolarHBondContact O-CB 3.5Å; I5-A8 PolarHBondContact O-N 3.12Å; A8-I11 PolarHBondContact O-N 3.28Å; A8-S12 PolarHBondContact O-N 3.46Å; A8-S12 PolarHBondContact O-OG 3.25Å
9F93.9Very high89.5Confident55 Ų5583.3 Ų83.324%0.24144%0.436CS..Hα-helixtrans-62-46.3172.9-177.9-97.7000111.6I5 M6 L7 I11 S12 L13 M33 S36 L37I5-F9 PolarHBondContact O-N 3.26Å; M6-F9 WeakPolarHBondContact O-CB 3.41Å; M6-F9 PolarHBondContact O-N 3Å; L7-F9 VanDerWaalsContact C-N 3.31Å; L7-F9 PolarHBondContact O-N 2.86Å; F9-I11 PolarHBondContact O-N 3.01Å; F9-S12 WeakPolarHBondContact CA-OG 3.37Å; F9-S12 PolarHBondContact O-N 2.97Å; F9-S12 PolarHBondContact O-OG 3.22Å; F9-L13 HydrophobicContact CE1-CD1 4.4Å; F9-L13 HydrophobicContact CZ-CD1 4.41Å; F9-L13 VanDerWaalsContact O-CB 3.31Å; F9-L13 WeakPolarHBondContact O-CB 3.48Å; F9-L13 PolarHBondContact O-N 3.4Å; F9-M33 HydrophobicContact CD2-CB 4.26Å; F9-M33 HydrophobicContact CD2-CG 4.35Å; F9-M33 HydrophobicContact CE2-CB 4.07Å; F9-M33 HydrophobicContact CE2-CG 4.23Å; F9-M33 HydrophobicContact CE2-SD 4.48Å; F9-S36 WeakPolarHBondContact CB-OG 3.28Å; F9-S36 WeakPolarHBondContact CD2-OG 3.42Å; F9-L37 HydrophobicContact CD2-CD2 4.37Å; F9-L37 HydrophobicContact CD2-CG 4.07Å; F9-L37 HydrophobicContact CE2-CD1 3.92Å; F9-L37 HydrophobicContact CE2-CD2 4.19Å; F9-L37 HydrophobicContact CE2-CG 3.9Å
10T93.1Very high88.2Confident60 Ų6088.2 Ų88.237%0.36845%0.448SS..Hα-helixtrans-65.5-35.8178.657.80000113.2M6 L7 L14M6-T10 WeakPolarHBondContact O-CG2 3.4Å; M6-T10 PolarHBondContact O-N 2.93Å; M6-T10 PolarHBondContact O-OG1 3.21Å; L7-T10 WeakPolarHBondContact CA-OG1 3.5Å; L7-T10 PolarHBondContact O-N 3.1Å; L7-T10 VanDerWaalsContact O-N 3.13Å; L7-T10 PolarHBondContact O-OG1 3.25Å; T10-L14 WeakPolarHBondContact O-CB 3.46Å; T10-L14 VanDerWaalsContact O-CG 3.24Å; T10-L14 WeakPolarHBondContact O-CG 3.38Å; T10-L14 PolarHBondContact O-N 3.2Å
11I93.1Very high87Confident114 Ų11486.9 Ų86.959%0.58545%0.447SS*.Hα-helixtrans-68.8-42.8178-66.7161.4000110.6L7 A8 F9 L14 G15L7-I11 WeakPolarHBondContact O-CD1 3.13Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.41Å; L7-I11 PolarHBondContact O-N 3.25Å; A8-I11 PolarHBondContact O-N 3.28Å; F9-I11 PolarHBondContact O-N 3.01Å; I11-L14 PolarHBondContact O-N 3.17Å; I11-G15 PolarHBondContact O-N 3.49Å
12S91.8Very high86.6Confident17 Ų1783.6 Ų83.612%0.11943%0.428CS..Hα-helixtrans-67.6-37.9176.250.10000112.3A8 F9 G15 M16 M33A8-S12 PolarHBondContact O-N 3.46Å; A8-S12 PolarHBondContact O-OG 3.25Å; F9-S12 WeakPolarHBondContact CA-OG 3.37Å; F9-S12 PolarHBondContact O-N 2.97Å; F9-S12 PolarHBondContact O-OG 3.22Å; S12-G15 PolarHBondContact O-N 3.01Å; S12-M16 PolarHBondContact O-N 2.96Å; S12-M33 WeakPolarHBondContact OG-CG 3.37Å
13L91.4Very high85.9Confident62 Ų6281.9 Ų81.933%0.32542%0.424SS..Hα-helixtrans-60.4-48171.2-172.698.7000111.8F9 G15 M16 L17 M33F9-L13 HydrophobicContact CE1-CD1 4.4Å; F9-L13 HydrophobicContact CZ-CD1 4.41Å; F9-L13 VanDerWaalsContact O-CB 3.31Å; F9-L13 WeakPolarHBondContact O-CB 3.48Å; F9-L13 PolarHBondContact O-N 3.4Å; L13-G15 VanDerWaalsContact C-N 3.29Å; L13-G15 PolarHBondContact O-N 3.44Å; L13-M16 PolarHBondContact O-N 3.41Å; L13-L17 HydrophobicContact CD2-CD1 4.17Å; L13-L17 HydrophobicContact CG-CD1 4.27Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.41Å; L13-M33 HydrophobicContact CB-SD 4.05Å; L13-M33 HydrophobicContact CD1-SD 3.92Å
14L90.7Very high85.4Confident103 Ų10378.9 Ų78.954%0.53941%0.409SS..Hα-helixtrans-61.1-39.6175.7-74.9169.4000111.5T10 I11 M16 L17 V18T10-L14 WeakPolarHBondContact O-CB 3.46Å; T10-L14 VanDerWaalsContact O-CG 3.24Å; T10-L14 WeakPolarHBondContact O-CG 3.38Å; T10-L14 PolarHBondContact O-N 3.2Å; I11-L14 PolarHBondContact O-N 3.17Å; L14-M16 VanDerWaalsContact C-N 3.3Å; L14-M16 PolarHBondContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 3.44Å; L14-V18 WeakPolarHBondContact O-CB 3.46Å; L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.46Å; L14-V18 PolarHBondContact O-N 2.9Å
15G88.8Confident85Confident30 Ų3075.4 Ų75.431%0.30939%0.394SS..Hα-helixtrans-61.2-36.117500000113.5I11 S12 L13I11-G15 PolarHBondContact O-N 3.49Å; S12-G15 PolarHBondContact O-N 3.01Å; L13-G15 VanDerWaalsContact C-N 3.29Å; L13-G15 PolarHBondContact O-N 3.44Å
16M87Confident84.6Confident46 Ų4675.8 Ų75.823%0.22740%0.398CS..Hα-helixtrans-73.8-42.6175.8-173.9-87.3-75.500112.2S12 L13 L14 V18 C29 M33S12-M16 PolarHBondContact O-N 2.96Å; L13-M16 PolarHBondContact O-N 3.41Å; L14-M16 VanDerWaalsContact C-N 3.3Å; L14-M16 PolarHBondContact O-N 3.16Å; M16-V18 VanDerWaalsContact C-N 3.3Å; M16-V18 PolarHBondContact O-N 3.02Å; M16-C29 HydrophobicContact CB-CB 4.21Å; M16-M33 HydrophobicContact CB-CE 4.1Å; M16-M33 HydrophobicContact CE-CE 4.09Å; M16-M33 HydrophobicContact CG-CE 4.18Å
17L85.5Confident84.3Confident98 Ų9872.2 Ų72.251%0.51338%0.38SS..Hα-helixtrans-65.1-33.8177.9-71.5171.4000112.6L13 L14 Y19L13-L17 HydrophobicContact CD2-CD1 4.17Å; L13-L17 HydrophobicContact CG-CD1 4.27Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 3.44Å; L17-Y19 WeakPolarHBondContact O-CD2 3.36Å; L17-Y19 PolarHBondContact O-N 2.91Å
18V83.8Confident84Confident93 Ų9372.8 Ų72.856%0.56438%0.384SS*.SBendtrans-8079.5171.4-1780000107.9L14 M16 R20L14-V18 WeakPolarHBondContact O-CB 3.46Å; L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.46Å; L14-V18 PolarHBondContact O-N 2.9Å; M16-V18 VanDerWaalsContact C-N 3.3Å; M16-V18 PolarHBondContact O-N 3.02Å; V18-R20 PolarHBondContact O-N 3.4Å
19Y63.8Low83.8Confident165 Ų16572.1 Ų72.165%0.64738%0.375SS*.  trans-55.297.6176.4-71.2-79.5000110.7L17L17-Y19 WeakPolarHBondContact O-CD2 3.36Å; L17-Y19 PolarHBondContact O-N 2.91Å
20R64.3Low83.6Confident182 Ų18272.6 Ų72.669%0.68738%0.38SS*.  trans-73.5153.6165.7-73.7-79.1-150.1131.27.4108.3V18 H22V18-R20 PolarHBondContact O-N 3.4Å; R20-H22 PolarHBondContact O-N 2.99Å
21S63.1Low83.5Confident60 Ų6074.4 Ų74.442%0.4239%0.385SS..SBendtrans-51.7-25.4-178.454.80000114.7Y86 V87S21-Y86 WeakPolarHBondContact O-CA 3.31Å; S21-V87 PolarHBondContact O-N 3.23Å
22H76.4Confident83.4Confident81 Ų8170.5 Ų70.538%0.37537%0.373SS..BIsolated β-bridgetrans-101.1118.6-176.5-64.4-75.1000112.7R20 M24 S25 Y86R20-H22 PolarHBondContact O-N 2.99Å; H22-M24 VanDerWaalsContact C-N 3.25Å; H22-M24 PolarHBondContact O-N 3.29Å; H22-S25 PolarHBondContact O-N 3.18Å; H22-S25 VanDerWaalsContact O-N 3.08Å; H22-S25 PolarHBondContact O-OG 3.48Å; H22-Y86 AromaticContact CE1-CE1 3.45Å; H22-Y86 VanDerWaalsContact CE1-CE1 3.45Å; H22-Y86 WeakPolarHBondContact CE1-CE1 3.4Å; H22-Y86 AromaticContact CE1-CZ 3.9Å; H22-Y86 AromaticContact NE2-CE1 3.77Å
23L76.1Confident83.4Confident32 Ų3270.6 Ų70.617%0.16837%0.371CS..Hα-helixtrans-60.9-33.4178.4-150.5146.5000112.2S25 S26 L27 L75 I78 D85 V87L23-S25 VanDerWaalsContact C-N 3.28Å; L23-S25 PolarHBondContact O-N 3.1Å; L23-S26 PolarHBondContact O-N 2.86Å; L23-S26 VanDerWaalsContact O-N 3.1Å; L23-S26 PolarHBondContact O-OG 3.49Å; L23-L27 HydrophobicContact CD2-CD1 4.17Å; L23-L27 HydrophobicContact CD2-CG 4.24Å; L23-L27 PolarHBondContact O-N 2.97Å; L23-L27 VanDerWaalsContact O-N 3.12Å; L23-L75 HydrophobicContact CB-CD1 4.03Å; L23-L75 HydrophobicContact CB-CG 4.46Å; L23-L75 HydrophobicContact CD2-CB 4.28Å; L23-L75 HydrophobicContact CD2-CD1 3.73Å; L23-L75 HydrophobicContact CD2-CG 4.16Å; L23-L75 HydrophobicContact CG-CD1 4.49Å; L23-I78 HydrophobicContact CD1-CD1 3.87Å; L23-D85 PolarHBondContact N-O 3.34Å; L23-V87 HydrophobicContact CB-CG2 4.27Å; L23-V87 HydrophobicContact CD1-CG2 4.23Å; L23-V87 HydrophobicContact CG-CG2 4.44Å
24M82.4Confident83.6Confident82 Ų8269.7 Ų69.740%0.40437%0.366SS..Hα-helixtrans-54.1-41.1173.1-72.8-60.5-65.300113.3H22 S26 L27 L28 L72 L75H22-M24 VanDerWaalsContact C-N 3.25Å; H22-M24 PolarHBondContact O-N 3.29Å; M24-S26 VanDerWaalsContact C-N 3.32Å; M24-S26 PolarHBondContact O-N 3.26Å; M24-L27 PolarHBondContact O-N 3.49Å; M24-L28 PolarHBondContact O-N 2.94Å; M24-L28 VanDerWaalsContact O-N 3.12Å; M24-L72 HydrophobicContact SD-CD2 4.34Å; M24-L75 HydrophobicContact CB-CD1 4.46Å; M24-L75 HydrophobicContact CG-CD1 3.71Å; M24-L75 HydrophobicContact CG-CD2 4.48Å; M24-L75 HydrophobicContact SD-CD1 3.25Å; M24-L75 WeakPolarHBondContact SD-CD1 3.28Å; M24-L75 HydrophobicContact SD-CD2 4.07Å; M24-L75 HydrophobicContact SD-CG 4.31Å
25S84.3Confident83.7Confident43 Ų4370 Ų7030%0.30137%0.367SS..Hα-helixtrans-67.9-34.1-179.566.90000112.1H22 L23 L28 C29H22-S25 PolarHBondContact O-N 3.18Å; H22-S25 VanDerWaalsContact O-N 3.08Å; H22-S25 PolarHBondContact O-OG 3.48Å; L23-S25 VanDerWaalsContact C-N 3.28Å; L23-S25 PolarHBondContact O-N 3.1Å; S25-L28 PolarHBondContact O-N 2.89Å; S25-C29 PolarHBondContact O-N 3.28Å; S25-C29 VanDerWaalsContact O-N 3.12Å; S25-C29 PolarHBondContact O-SG 3.48Å; S25-C29 VanDerWaalsContact O-SG 3.35Å
26S85.9Confident83.9Confident25 Ų2568.9 Ų68.918%0.17536%0.355CS..Hα-helixtrans-68.7-37.9174.871.80000112.4L23 M24 C29 L30L23-S26 PolarHBondContact O-N 2.86Å; L23-S26 VanDerWaalsContact O-N 3.1Å; L23-S26 PolarHBondContact O-OG 3.49Å; M24-S26 VanDerWaalsContact C-N 3.32Å; M24-S26 PolarHBondContact O-N 3.26Å; S26-C29 PolarHBondContact O-N 3.34Å; S26-L30 PolarHBondContact O-N 3.07Å
27L87.1Confident84.2Confident23 Ų2370 Ų7012%0.1236%0.362CS..Hα-helixtrans-63.2-43.2175.1-71.7172.8000111.5L23 M24 C29 L30 E31 L72 L75L23-L27 HydrophobicContact CD2-CD1 4.17Å; L23-L27 HydrophobicContact CD2-CG 4.24Å; L23-L27 PolarHBondContact O-N 2.97Å; L23-L27 VanDerWaalsContact O-N 3.12Å; M24-L27 PolarHBondContact O-N 3.49Å; L27-C29 VanDerWaalsContact C-N 3.33Å; L27-C29 PolarHBondContact O-N 3.49Å; L27-L30 WeakPolarHBondContact O-CA 3.25Å; L27-L30 WeakPolarHBondContact O-CB 3.42Å; L27-L30 PolarHBondContact O-N 3.36Å; L27-L30 VanDerWaalsContact O-N 3.07Å; L27-E31 PolarHBondContact O-N 3.16Å; L27-L72 HydrophobicContact CD1-CD2 3.93Å; L27-L72 HydrophobicContact CD1-CG 4.37Å; L27-L75 HydrophobicContact CD1-CD1 3.58Å
28L87.8Confident84.6Confident110 Ų11068.4 Ų68.458%0.57635%0.351SS*.Hα-helixtrans-62.9-38175.2-71.1172.2000112.4M24 S25 L30 E31 G32M24-L28 PolarHBondContact O-N 2.94Å; M24-L28 VanDerWaalsContact O-N 3.12Å; S25-L28 PolarHBondContact O-N 2.89Å; L28-L30 VanDerWaalsContact C-N 3.28Å; L28-L30 PolarHBondContact O-N 3.31Å; L28-E31 PolarHBondContact O-N 3.08Å; L28-G32 PolarHBondContact O-N 3.37Å
29C90.1Very high85Confident33 Ų3367.1 Ų67.122%0.22334%0.34CS..Hα-helixtrans-63.8-36.1172.8-69.30000111.8M16 S25 S26 L27 G32 M33M16-C29 HydrophobicContact CB-CB 4.21Å; S25-C29 PolarHBondContact O-N 3.28Å; S25-C29 VanDerWaalsContact O-N 3.12Å; S25-C29 PolarHBondContact O-SG 3.48Å; S25-C29 VanDerWaalsContact O-SG 3.35Å; S26-C29 PolarHBondContact O-N 3.34Å; L27-C29 VanDerWaalsContact C-N 3.33Å; L27-C29 PolarHBondContact O-N 3.49Å; C29-G32 PolarHBondContact O-N 3.12Å; C29-M33 WeakPolarHBondContact O-CG 3.46Å; C29-M33 PolarHBondContact O-N 3.44Å
30L89.2Confident86.4Confident65 Ų6560.7 Ų60.734%0.3432%0.316SS..Hα-helixtrans-67.1-44.5176.8-145.5160.8000111.5S26 L27 L28 G32 M33 M34S26-L30 PolarHBondContact O-N 3.07Å; L27-L30 WeakPolarHBondContact O-CA 3.25Å; L27-L30 WeakPolarHBondContact O-CB 3.42Å; L27-L30 PolarHBondContact O-N 3.36Å; L27-L30 VanDerWaalsContact O-N 3.07Å; L28-L30 VanDerWaalsContact C-N 3.28Å; L28-L30 PolarHBondContact O-N 3.31Å; L30-G32 VanDerWaalsContact C-N 3.3Å; L30-G32 PolarHBondContact O-N 3.24Å; L30-M33 HydrophobicContact CB-CE 4.21Å; L30-M33 HydrophobicContact CG-CE 3.92Å; L30-M33 WeakPolarHBondContact O-CB 3.45Å; L30-M33 PolarHBondContact O-N 2.97Å; L30-M34 HydrophobicContact CD2-CG 4.22Å; L30-M34 WeakPolarHBondContact O-CG 3.4Å; L30-M34 PolarHBondContact O-N 3.26Å
31E90.6Very high87.6Confident99 Ų9953.5 Ų53.546%0.46330%0.295SS..Hα-helixtrans-59.1-41171.3-71.1-175.6167.900111.9L27 L28 M33 M34 L35L27-E31 PolarHBondContact O-N 3.16Å; L28-E31 PolarHBondContact O-N 3.08Å; E31-M33 PolarHBondContact O-N 3.38Å; E31-M34 PolarHBondContact O-N 2.63Å; E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 PolarHBondContact O-N 3.12Å
32G91.1Very high88.9Confident32 Ų3252.2 Ų52.233%0.3329%0.285SS..Hα-helixtrans-60.9-40.8174.600000113.5L28 C29 L30 L35 S36L28-G32 PolarHBondContact O-N 3.37Å; C29-G32 PolarHBondContact O-N 3.12Å; L30-G32 VanDerWaalsContact C-N 3.3Å; L30-G32 PolarHBondContact O-N 3.24Å; G32-L35 PolarHBondContact O-N 3.07Å; G32-S36 PolarHBondContact O-N 3.44Å; G32-S36 VanDerWaalsContact O-N 3.08Å
33M92.9Very high89.6Confident18 Ų1850.4 Ų50.49%0.08928%0.278CS..Hα-helixtrans-61.6-48.6173.7-73.7-172.7-68.500111F9 S12 L13 M16 C29 L30 E31 L35 S36 L37F9-M33 HydrophobicContact CD2-CB 4.26Å; F9-M33 HydrophobicContact CD2-CG 4.35Å; F9-M33 HydrophobicContact CE2-CB 4.07Å; F9-M33 HydrophobicContact CE2-CG 4.23Å; F9-M33 HydrophobicContact CE2-SD 4.48Å; S12-M33 WeakPolarHBondContact OG-CG 3.37Å; L13-M33 HydrophobicContact CB-SD 4.05Å; L13-M33 HydrophobicContact CD1-SD 3.92Å; M16-M33 HydrophobicContact CB-CE 4.1Å; M16-M33 HydrophobicContact CE-CE 4.09Å; M16-M33 HydrophobicContact CG-CE 4.18Å; C29-M33 WeakPolarHBondContact O-CG 3.46Å; C29-M33 PolarHBondContact O-N 3.44Å; L30-M33 HydrophobicContact CB-CE 4.21Å; L30-M33 HydrophobicContact CG-CE 3.92Å; L30-M33 WeakPolarHBondContact O-CB 3.45Å; L30-M33 PolarHBondContact O-N 2.97Å; E31-M33 PolarHBondContact O-N 3.38Å; M33-L35 VanDerWaalsContact C-N 3.32Å; M33-L35 PolarHBondContact O-N 3.41Å; M33-S36 PolarHBondContact O-N 3.45Å; M33-S36 PolarHBondContact O-OG 3.12Å; M33-L37 PolarHBondContact O-N 3.01Å
34M94.1Very high90.2Very high44 Ų4453.3 Ų53.322%0.21729%0.292CS..Hα-helixtrans-62.6-38.6-179.6-64.2-55.4-7800112.2L30 E31 L37 F38 A64L30-M34 HydrophobicContact CD2-CG 4.22Å; L30-M34 WeakPolarHBondContact O-CG 3.4Å; L30-M34 PolarHBondContact O-N 3.26Å; E31-M34 PolarHBondContact O-N 2.63Å; M34-L37 PolarHBondContact O-N 3.03Å; M34-L37 HydrophobicContact SD-CD1 4.37Å; M34-F38 WeakPolarHBondContact O-CB 3.43Å; M34-F38 PolarHBondContact O-N 3.48Å; M34-A64 HydrophobicContact CB-CB 3.97Å; M34-A64 HydrophobicContact CE-CB 3.32Å; M34-A64 HydrophobicContact CG-CB 3.91Å; M34-A64 HydrophobicContact SD-CB 4.46Å
35L92.6Very high90.5Very high108 Ų10850 Ų5057%0.56528%0.276SS*.Hα-helixtrans-66.3-41.1176.8-170.3141000112E31 G32 M33 L37 F38 I39E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 PolarHBondContact O-N 3.12Å; G32-L35 PolarHBondContact O-N 3.07Å; M33-L35 VanDerWaalsContact C-N 3.32Å; M33-L35 PolarHBondContact O-N 3.41Å; L35-L37 PolarHBondContact O-N 3.27Å; L35-F38 PolarHBondContact O-N 2.69Å; L35-I39 HydrophobicContact CD2-CD1 3.58Å; L35-I39 HydrophobicContact CD2-CG1 4.4Å; L35-I39 HydrophobicContact CG-CD1 4.49Å; L35-I39 WeakPolarHBondContact O-CG1 3.5Å; L35-I39 PolarHBondContact O-N 3Å
36S94.1Very high90.6Very high8 Ų853.1 Ų53.16%0.05629%0.289CS..Hα-helixtrans-65.5-37.8176.370.70000112.6I5 F9 G32 M33 I39 M40I5-S36 VanDerWaalsContact CG2-O 3.26Å; I5-S36 WeakPolarHBondContact CG2-O 3.47Å; F9-S36 WeakPolarHBondContact CB-OG 3.28Å; F9-S36 WeakPolarHBondContact CD2-OG 3.42Å; G32-S36 PolarHBondContact O-N 3.44Å; G32-S36 VanDerWaalsContact O-N 3.08Å; M33-S36 PolarHBondContact O-N 3.45Å; M33-S36 PolarHBondContact O-OG 3.12Å; S36-I39 PolarHBondContact O-N 2.92Å; S36-M40 WeakPolarHBondContact O-CB 3.33Å; S36-M40 PolarHBondContact O-N 3.32Å
37L92.2Very high90.6Very high70 Ų7057 Ų5737%0.36631%0.308SS..Hα-helixtrans-64.9-40.6172.9-75.5171.3000111.9F9 M33 M34 L35 M40 A41F9-L37 HydrophobicContact CD2-CD2 4.37Å; F9-L37 HydrophobicContact CD2-CG 4.07Å; F9-L37 HydrophobicContact CE2-CD1 3.92Å; F9-L37 HydrophobicContact CE2-CD2 4.19Å; F9-L37 HydrophobicContact CE2-CG 3.9Å; M33-L37 PolarHBondContact O-N 3.01Å; M34-L37 PolarHBondContact O-N 3.03Å; M34-L37 HydrophobicContact SD-CD1 4.37Å; L35-L37 PolarHBondContact O-N 3.27Å; L37-M40 PolarHBondContact O-N 3.46Å; L37-A41 WeakPolarHBondContact O-CB 3.48Å; L37-A41 PolarHBondContact O-N 3.1Å
38F94.1Very high90.5Very high64 Ų6460.4 Ų60.428%0.28133%0.33SS..Hα-helixtrans-61.3-46.2175.5175.3-101.6000112M34 L35 M40 A41 T42 P57 L61M34-F38 WeakPolarHBondContact O-CB 3.43Å; M34-F38 PolarHBondContact O-N 3.48Å; L35-F38 PolarHBondContact O-N 2.69Å; F38-M40 VanDerWaalsContact C-N 3.34Å; F38-M40 PolarHBondContact O-N 3.27Å; F38-A41 PolarHBondContact O-N 3.08Å; F38-T42 HydrophobicContact CD1-CG2 4.4Å; F38-T42 HydrophobicContact CD2-CG2 4.19Å; F38-T42 HydrophobicContact CE1-CG2 3.97Å; F38-T42 HydrophobicContact CE2-CG2 3.73Å; F38-T42 HydrophobicContact CZ-CG2 3.61Å; F38-T42 WeakPolarHBondContact O-CG2 3.42Å; F38-T42 PolarHBondContact O-N 2.95Å; F38-T42 PolarHBondContact O-OG1 3.46Å; F38-P57 HydrophobicContact CD2-CB 3.71Å; F38-P57 WeakPolarHBondContact CD2-O 3.26Å; F38-P57 HydrophobicContact CE2-CB 3.55Å; F38-L61 HydrophobicContact CD1-CD1 4.44Å; F38-L61 HydrophobicContact CD2-CB 4.46Å; F38-L61 HydrophobicContact CD2-CD1 3.79Å; F38-L61 HydrophobicContact CD2-CG 4.39Å; F38-L61 HydrophobicContact CE1-CD1 4.35Å; F38-L61 HydrophobicContact CE2-CD1 3.69Å; F38-L61 HydrophobicContact CG-CD1 4.17Å; F38-L61 HydrophobicContact CZ-CD1 3.98Å
39I93.5Very high90.2Very high66 Ų6663.3 Ų63.334%0.33834%0.34SS..Hα-helixtrans-64.5-41178-62.6170.1000110.7I5 L35 S36 T42 L43I5-I39 HydrophobicContact CD1-CG2 3.64Å; I5-I39 HydrophobicContact CG1-CG2 4.24Å; L35-I39 HydrophobicContact CD2-CD1 3.58Å; L35-I39 HydrophobicContact CD2-CG1 4.4Å; L35-I39 HydrophobicContact CG-CD1 4.49Å; L35-I39 WeakPolarHBondContact O-CG1 3.5Å; L35-I39 PolarHBondContact O-N 3Å; S36-I39 PolarHBondContact O-N 2.92Å; I39-T42 WeakPolarHBondContact CA-OG1 3.48Å; I39-T42 PolarHBondContact O-OG1 2.91Å; I39-L43 HydrophobicContact CG2-CD1 3.95Å; I39-L43 HydrophobicContact CG2-CG 4.42Å; I39-L43 WeakPolarHBondContact O-CB 3.47Å; I39-L43 VanDerWaalsContact O-CG 3.28Å; I39-L43 WeakPolarHBondContact O-CG 3.46Å; I39-L43 PolarHBondContact O-N 3.33Å
40M92.3Very high89.6Confident30 Ų3063.7 Ų63.715%0.14834%0.343CS..Hα-helixtrans-60-48.9175.5-177.165.163.300111.5Y2 I5 M6 S36 L37 F38 L43 M44Y2-M40 HydrophobicContact CD1-CE 4.06Å; Y2-M40 HydrophobicContact CD1-SD 3.4Å; Y2-M40 WeakPolarHBondContact CD1-SD 3.41Å; Y2-M40 HydrophobicContact CE1-SD 3.9Å; Y2-M40 HydrophobicContact CG-SD 4.47Å; I5-M40 HydrophobicContact CB-CE 3.79Å; I5-M40 HydrophobicContact CG2-CB 4.13Å; I5-M40 HydrophobicContact CG2-CE 3.67Å; M6-M40 HydrophobicContact CG-CE 3.75Å; M6-M40 HydrophobicContact SD-CE 3.55Å; M6-M40 VanDerWaalsContact SD-CE 3.55Å; S36-M40 WeakPolarHBondContact O-CB 3.33Å; S36-M40 PolarHBondContact O-N 3.32Å; L37-M40 PolarHBondContact O-N 3.46Å; F38-M40 VanDerWaalsContact C-N 3.34Å; F38-M40 PolarHBondContact O-N 3.27Å; M40-L43 PolarHBondContact O-N 3.13Å; M40-M44 WeakPolarHBondContact O-CG 3.5Å; M40-M44 PolarHBondContact O-N 2.94Å; M40-M44 VanDerWaalsContact O-N 3.1Å; M40-M44 HydrophobicContact SD-CE 4.02Å
41A89.9Confident89Confident30 Ų3067.5 Ų67.525%0.24836%0.363CS..Hα-helixtrans-63.3-46.5-178.800000111.5L37 F38 L43 M44 T45 P57L37-A41 WeakPolarHBondContact O-CB 3.48Å; L37-A41 PolarHBondContact O-N 3.1Å; F38-A41 PolarHBondContact O-N 3.08Å; A41-L43 PolarHBondContact O-N 3.1Å; A41-M44 PolarHBondContact O-N 3.32Å; A41-T45 WeakPolarHBondContact O-CG2 3.42Å; A41-T45 PolarHBondContact O-N 3.04Å; A41-P57 HydrophobicContact CB-CB 4.37Å; A41-P57 HydrophobicContact CB-CG 3.97Å
42T90.6Very high88.6Confident33 Ų3370 Ų7020%0.20238%0.379CS..Hα-helixtrans-62.7-39.9178.150.70000112.9F38 I39 M44 T45 L46 P57F38-T42 HydrophobicContact CD1-CG2 4.4Å; F38-T42 HydrophobicContact CD2-CG2 4.19Å; F38-T42 HydrophobicContact CE1-CG2 3.97Å; F38-T42 HydrophobicContact CE2-CG2 3.73Å; F38-T42 HydrophobicContact CZ-CG2 3.61Å; F38-T42 WeakPolarHBondContact O-CG2 3.42Å; F38-T42 PolarHBondContact O-N 2.95Å; F38-T42 PolarHBondContact O-OG1 3.46Å; I39-T42 WeakPolarHBondContact CA-OG1 3.48Å; I39-T42 PolarHBondContact O-OG1 2.91Å; T42-M44 VanDerWaalsContact C-N 3.32Å; T42-M44 PolarHBondContact O-N 3.29Å; T42-T45 PolarHBondContact O-N 3.29Å; T42-T45 PolarHBondContact O-OG1 2.97Å; T42-L46 WeakPolarHBondContact O-CB 3.43Å; T42-L46 WeakPolarHBondContact O-CD1 3.19Å; T42-L46 WeakPolarHBondContact O-CG 3.47Å; T42-L46 PolarHBondContact O-N 3.4Å; T42-P57 HydrophobicContact CG2-CB 3.65Å; T42-P57 HydrophobicContact CG2-CG 3.9Å
43L90.9Very high88.3Confident44 Ų4469.9 Ų69.923%0.2337%0.374CS..Hα-helixtrans-63.9-38.8174.9-74.6170.7000112.1I1 Y2 I5 I39 M40 A41 N47I1-L43 HydrophobicContact CG2-CD1 3.65Å; Y2-L43 HydrophobicContact CE1-CB 3.72Å; Y2-L43 HydrophobicContact CE1-CD1 4.21Å; Y2-L43 PolarHBondContact OH-O 3.42Å; I5-L43 HydrophobicContact CD1-CD1 3.3Å; I39-L43 HydrophobicContact CG2-CD1 3.95Å; I39-L43 HydrophobicContact CG2-CG 4.42Å; I39-L43 WeakPolarHBondContact O-CB 3.47Å; I39-L43 VanDerWaalsContact O-CG 3.28Å; I39-L43 WeakPolarHBondContact O-CG 3.46Å; I39-L43 PolarHBondContact O-N 3.33Å; M40-L43 PolarHBondContact O-N 3.13Å; A41-L43 PolarHBondContact O-N 3.1Å; L43-N47 WeakPolarHBondContact O-CB 3.24Å; L43-N47 PolarHBondContact O-N 3.37Å
44M87.9Confident87.8Confident92 Ų9271.7 Ų71.745%0.45338%0.384SS..Hα-helixtrans-68.4-40.1177.2-69.5-63-176.500112.5Y2 M40 A41 T42 N47 T48Y2-M44 HydrophobicContact CD1-CE 3.86Å; Y2-M44 HydrophobicContact CE1-CE 3.55Å; Y2-M44 HydrophobicContact CE1-CG 4.31Å; Y2-M44 HydrophobicContact CE1-SD 3.95Å; Y2-M44 HydrophobicContact CG-CE 4.46Å; M40-M44 WeakPolarHBondContact O-CG 3.5Å; M40-M44 PolarHBondContact O-N 2.94Å; M40-M44 VanDerWaalsContact O-N 3.1Å; M40-M44 HydrophobicContact SD-CE 4.02Å; A41-M44 PolarHBondContact O-N 3.32Å; T42-M44 VanDerWaalsContact C-N 3.32Å; T42-M44 PolarHBondContact O-N 3.29Å; M44-N47 PolarHBondContact O-N 2.94Å; M44-T48 WeakPolarHBondContact O-CG2 3.45Å; M44-T48 PolarHBondContact O-N 3.4Å; M44-T48 VanDerWaalsContact O-N 3.13Å; M44-T48 PolarHBondContact O-OG1 3.18Å
45T88.8Confident87.5Confident13 Ų1375 Ų758%0.0840%0.402CS..Hα-helixtrans-68.1-39.6177.362.10000111.6A41 T42 T48 H49 S50 A53 N54 P57A41-T45 WeakPolarHBondContact O-CG2 3.42Å; A41-T45 PolarHBondContact O-N 3.04Å; T42-T45 PolarHBondContact O-N 3.29Å; T42-T45 PolarHBondContact O-OG1 2.97Å; T45-T48 PolarHBondContact O-N 3.19Å; T45-T48 PolarHBondContact O-OG1 3.01Å; T45-H49 PolarHBondContact O-N 3.47Å; T45-S50 PolarHBondContact O-N 2.8Å; T45-A53 HydrophobicContact CG2-CB 3.64Å; T45-N54 VanDerWaalsContact CB-OD1 3.26Å; T45-N54 WeakPolarHBondContact CB-OD1 3.36Å; T45-N54 PolarHBondContact OG1-OD1 3.35Å; T45-P57 HydrophobicContact CG2-CG 4.21Å
46L87.4Confident87.3Confident108 Ų10874 Ų7457%0.56540%0.4SS*.Hα-helixtrans-63.5-44.7174.7-72.3170.2000111.9T42 T48 H49T42-L46 WeakPolarHBondContact O-CB 3.43Å; T42-L46 WeakPolarHBondContact O-CD1 3.19Å; T42-L46 WeakPolarHBondContact O-CG 3.47Å; T42-L46 PolarHBondContact O-N 3.4Å; L46-T48 VanDerWaalsContact C-N 3.3Å; L46-T48 PolarHBondContact O-N 3.43Å; L46-H49 PolarHBondContact O-N 3Å
47N86.2Confident87.1Confident107 Ų10773.8 Ų73.857%0.57240%0.398SS*.Hα-helixtrans-64-32.8178.6-89.34.1000113.4Y2 L43 M44 H49Y2-N47 PolarHBondContact OH-ND2 2.98Å; L43-N47 WeakPolarHBondContact O-CB 3.24Å; L43-N47 PolarHBondContact O-N 3.37Å; M44-N47 PolarHBondContact O-N 2.94Å; N47-H49 VanDerWaalsContact C-N 3.32Å
48T84.6Confident87.1Confident94 Ų9475.6 Ų75.658%0.57741%0.407SS*.THydrogen-bonded Turntrans-891.4-179.854.50000113.2M44 T45 L46 S50M44-T48 WeakPolarHBondContact O-CG2 3.45Å; M44-T48 PolarHBondContact O-N 3.4Å; M44-T48 VanDerWaalsContact O-N 3.13Å; M44-T48 PolarHBondContact O-OG1 3.18Å; T45-T48 PolarHBondContact O-N 3.19Å; T45-T48 PolarHBondContact O-OG1 3.01Å; L46-T48 VanDerWaalsContact C-N 3.3Å; L46-T48 PolarHBondContact O-N 3.43Å; T48-S50 PolarHBondContact O-N 3.43Å; T48-S50 PolarHBondContact OG1-OG 2.96Å
49H81.1Confident87.1Confident171 Ų17174.5 Ų74.579%0.79241%0.41SS*.THydrogen-bonded Turntrans48.429.3-175.7-65.8-68.7000113.9T45 L46 N47 L51T45-H49 PolarHBondContact O-N 3.47Å; L46-H49 PolarHBondContact O-N 3Å; N47-H49 VanDerWaalsContact C-N 3.32Å; H49-L51 PolarHBondContact O-N 2.93Å
50S77.9Confident87Confident41 Ų4175.3 Ų75.329%0.28741%0.413SS..  trans-94.889.5-175.156.90000110.4T45 T48 L52 A53T45-S50 PolarHBondContact O-N 2.8Å; T48-S50 PolarHBondContact O-N 3.43Å; T48-S50 PolarHBondContact OG1-OG 2.96Å; S50-L52 PolarHBondContact O-N 3.32Å; S50-A53 WeakPolarHBondContact O-CB 3.47Å; S50-A53 PolarHBondContact O-N 3.47Å; S50-A53 VanDerWaalsContact OG-CB 3.24Å; S50-A53 WeakPolarHBondContact OG-CB 3.26Å
51L77.4Confident87Confident146 Ų14678.1 Ų78.176%0.76443%0.428SS*.G310 helixtrans-58.2-33-178.4-68.3172.1000113.2H49 A53 N54H49-L51 PolarHBondContact O-N 2.93Å; L51-A53 VanDerWaalsContact C-N 3.3Å; L51-A53 PolarHBondContact O-N 3.12Å; L51-N54 WeakPolarHBondContact O-CB 3.38Å; L51-N54 PolarHBondContact O-N 3.49Å
52L82Confident87.3Confident152 Ų15280.9 Ų80.980%0.79644%0.442SS*.G310 helixtrans-66.5-31.5175.9-74.4162.8000112.6S50 N54 I55S50-L52 PolarHBondContact O-N 3.32Å; L52-N54 PolarHBondContact O-N 2.96Å; L52-I55 PolarHBondContact O-N 3.45Å
53A83.4Confident87.3Confident28 Ų2886 Ų8623%0.23146%0.462CS..G310 helixtrans-74.3-15.1-178.800000112.7T45 S50 L51 I55 V56 P57T45-A53 HydrophobicContact CG2-CB 3.64Å; S50-A53 WeakPolarHBondContact O-CB 3.47Å; S50-A53 PolarHBondContact O-N 3.47Å; S50-A53 VanDerWaalsContact OG-CB 3.24Å; S50-A53 WeakPolarHBondContact OG-CB 3.26Å; L51-A53 VanDerWaalsContact C-N 3.3Å; L51-A53 PolarHBondContact O-N 3.12Å; A53-I55 PolarHBondContact O-N 3.45Å; A53-I55 VanDerWaalsContact O-N 3.16Å; A53-V56 WeakPolarHBondContact O-CB 3.45Å; A53-V56 PolarHBondContact O-N 3.47Å; A53-P57 WeakPolarHBondContact O-CD 3.43Å
54N82.6Confident87.4Confident56 Ų5684.7 Ų84.730%0.29946%0.457SS..G310 helixtrans-63.8-16.9175.1-77.1-10.5000113.7T45 L51 L52 V56 P57 I58T45-N54 VanDerWaalsContact CB-OD1 3.26Å; T45-N54 WeakPolarHBondContact CB-OD1 3.36Å; T45-N54 PolarHBondContact OG1-OD1 3.35Å; L51-N54 WeakPolarHBondContact O-CB 3.38Å; L51-N54 PolarHBondContact O-N 3.49Å; L52-N54 PolarHBondContact O-N 2.96Å; N54-V56 PolarHBondContact O-N 3.2Å; N54-P57 WeakPolarHBondContact O-CD 3.44Å; N54-I58 WeakPolarHBondContact O-CD1 3.11Å; N54-I58 WeakPolarHBondContact O-CG1 3.43Å
55I88.6Confident87.5Confident115 Ų11583 Ų8359%0.5946%0.457SS*.Hα-helixtrans-66.3-31.8172.4-60.4173.6000110.6L52 A53 I58 A59L52-I55 PolarHBondContact O-N 3.45Å; A53-I55 PolarHBondContact O-N 3.45Å; A53-I55 VanDerWaalsContact O-N 3.16Å; I55-I58 PolarHBondContact O-N 3.36Å; I55-A59 WeakPolarHBondContact O-CB 3.35Å; I55-A59 PolarHBondContact O-N 2.98Å
56V88.8Confident87.7Confident87 Ų8785.7 Ų85.753%0.52748%0.476SS..Hα-helixtrans-65.4-51.2-175.4178.40000112.3A53 N54 I58 A59 M60A53-V56 WeakPolarHBondContact O-CB 3.45Å; A53-V56 PolarHBondContact O-N 3.47Å; N54-V56 PolarHBondContact O-N 3.2Å; V56-I58 VanDerWaalsContact C-N 3.26Å; V56-I58 PolarHBondContact O-N 3.38Å; V56-A59 PolarHBondContact O-N 3.16Å; V56-M60 HydrophobicContact CG1-CG 4.43Å; V56-M60 WeakPolarHBondContact O-CB 3.49Å; V56-M60 VanDerWaalsContact O-CG 3.28Å; V56-M60 WeakPolarHBondContact O-CG 3.31Å; V56-M60 PolarHBondContact O-N 3.47Å
57P90.1Very high87.8Confident2 Ų286.2 Ų86.21%0.01348%0.476CS..Hα-helixtrans-57.1-36.8174.5-23.830.2000113.7F38 A41 T42 T45 A53 N54 L61F38-P57 HydrophobicContact CD2-CB 3.71Å; F38-P57 WeakPolarHBondContact CD2-O 3.26Å; F38-P57 HydrophobicContact CE2-CB 3.55Å; A41-P57 HydrophobicContact CB-CB 4.37Å; A41-P57 HydrophobicContact CB-CG 3.97Å; T42-P57 HydrophobicContact CG2-CB 3.65Å; T42-P57 HydrophobicContact CG2-CG 3.9Å; T45-P57 HydrophobicContact CG2-CG 4.21Å; A53-P57 WeakPolarHBondContact O-CD 3.43Å; N54-P57 WeakPolarHBondContact O-CD 3.44Å; P57-L61 PolarHBondContact O-N 2.92Å; P57-L61 VanDerWaalsContact O-N 3.1Å
58I91.4Very high88Confident108 Ų10882.1 Ų82.155%0.55446%0.457SS*.Hα-helixtrans-69.6-47.6179.9-60.1167.5000110.1N54 I55 V56 M60 L61 V62N54-I58 WeakPolarHBondContact O-CD1 3.11Å; N54-I58 WeakPolarHBondContact O-CG1 3.43Å; I55-I58 PolarHBondContact O-N 3.36Å; V56-I58 VanDerWaalsContact C-N 3.26Å; V56-I58 PolarHBondContact O-N 3.38Å; I58-M60 VanDerWaalsContact C-N 3.31Å; I58-M60 PolarHBondContact O-N 2.92Å; I58-L61 WeakPolarHBondContact O-CB 3.4Å; I58-L61 PolarHBondContact O-N 3.29Å; I58-L61 VanDerWaalsContact O-N 3.13Å; I58-V62 WeakPolarHBondContact O-CG2 3.45Å; I58-V62 PolarHBondContact O-N 2.9Å; I58-V62 VanDerWaalsContact O-N 3.08Å
59A93.1Very high88.3Confident42 Ų4280.5 Ų80.535%0.34745%0.453SS..Hα-helixtrans-59.1-43.4176.400000111.4I55 V56 L61 V62 F63I55-A59 WeakPolarHBondContact O-CB 3.35Å; I55-A59 PolarHBondContact O-N 2.98Å; V56-A59 PolarHBondContact O-N 3.16Å; A59-L61 VanDerWaalsContact C-N 3.3Å; A59-L61 PolarHBondContact O-N 2.78Å; A59-V62 PolarHBondContact O-N 3.36Å; A59-F63 WeakPolarHBondContact O-CD2 3.24Å; A59-F63 PolarHBondContact O-N 3.34Å; A59-F63 VanDerWaalsContact O-N 3.12Å
60M92.3Very high88.8Confident82 Ų8276.7 Ų76.740%0.40444%0.442SS..Hα-helixtrans-56.4-42.5174.3-75.4-72.6-68.600112.3V56 I58 F63 A64V56-M60 HydrophobicContact CG1-CG 4.43Å; V56-M60 WeakPolarHBondContact O-CB 3.49Å; V56-M60 VanDerWaalsContact O-CG 3.28Å; V56-M60 WeakPolarHBondContact O-CG 3.31Å; V56-M60 PolarHBondContact O-N 3.47Å; I58-M60 VanDerWaalsContact C-N 3.31Å; I58-M60 PolarHBondContact O-N 2.92Å; M60-F63 PolarHBondContact O-N 3.45Å; M60-A64 WeakPolarHBondContact O-CB 3.31Å; M60-A64 PolarHBondContact O-N 3.5Å
61L92.6Very high89.4Confident89 Ų8975.4 Ų75.447%0.46644%0.435SS..Hα-helixtrans-67.8-37.3-179.8-142.6166.7000111.8F38 P57 I58 A59 A64 A65F38-L61 HydrophobicContact CD1-CD1 4.44Å; F38-L61 HydrophobicContact CD2-CB 4.46Å; F38-L61 HydrophobicContact CD2-CD1 3.79Å; F38-L61 HydrophobicContact CD2-CG 4.39Å; F38-L61 HydrophobicContact CE1-CD1 4.35Å; F38-L61 HydrophobicContact CE2-CD1 3.69Å; F38-L61 HydrophobicContact CG-CD1 4.17Å; F38-L61 HydrophobicContact CZ-CD1 3.98Å; P57-L61 PolarHBondContact O-N 2.92Å; P57-L61 VanDerWaalsContact O-N 3.1Å; I58-L61 WeakPolarHBondContact O-CB 3.4Å; I58-L61 PolarHBondContact O-N 3.29Å; I58-L61 VanDerWaalsContact O-N 3.13Å; A59-L61 VanDerWaalsContact C-N 3.3Å; A59-L61 PolarHBondContact O-N 2.78Å; L61-A64 WeakPolarHBondContact O-CB 3.4Å; L61-A64 PolarHBondContact O-N 2.76Å; L61-A65 PolarHBondContact O-N 3.39Å
62V95.1Very high89.9Confident88 Ų8872.1 Ų72.153%0.53342%0.418SS..Hα-helixtrans-63.5-47.9175.5176.30000110.8I58 A59 A64 A65 C66I58-V62 WeakPolarHBondContact O-CG2 3.45Å; I58-V62 PolarHBondContact O-N 2.9Å; I58-V62 VanDerWaalsContact O-N 3.08Å; A59-V62 PolarHBondContact O-N 3.36Å; V62-A64 VanDerWaalsContact C-N 3.32Å; V62-A64 PolarHBondContact O-N 3.23Å; V62-A65 PolarHBondContact O-N 3.01Å; V62-C66 PolarHBondContact O-N 2.92Å; V62-C66 VanDerWaalsContact O-N 3.1Å; V62-C66 PolarHBondContact O-SG 3.42Å
63F92.2Very high90.2Very high142 Ų14267.8 Ų67.862%0.62340%0.404SS*.Hα-helixtrans-62.9-39176.6-75.4-67.7000112.2A59 M60 A65 C66 E67A59-F63 WeakPolarHBondContact O-CD2 3.24Å; A59-F63 PolarHBondContact O-N 3.34Å; A59-F63 VanDerWaalsContact O-N 3.12Å; M60-F63 PolarHBondContact O-N 3.45Å; F63-A65 VanDerWaalsContact C-N 3.33Å; F63-A65 PolarHBondContact O-N 3.06Å; F63-C66 WeakPolarHBondContact O-CB 3.41Å; F63-C66 PolarHBondContact O-N 2.85Å; F63-E67 PolarHBondContact O-N 3.45Å
64A91.6Very high90.4Very high15 Ų1571.3 Ų71.312%0.12442%0.418CS..Hα-helixtrans-56.6-46174.400000112.4M34 M60 L61 V62 C66 E67 A68M34-A64 HydrophobicContact CB-CB 3.97Å; M34-A64 HydrophobicContact CE-CB 3.32Å; M34-A64 HydrophobicContact CG-CB 3.91Å; M34-A64 HydrophobicContact SD-CB 4.46Å; M60-A64 WeakPolarHBondContact O-CB 3.31Å; M60-A64 PolarHBondContact O-N 3.5Å; L61-A64 WeakPolarHBondContact O-CB 3.4Å; L61-A64 PolarHBondContact O-N 2.76Å; V62-A64 VanDerWaalsContact C-N 3.32Å; V62-A64 PolarHBondContact O-N 3.23Å; A64-C66 VanDerWaalsContact C-N 3.32Å; A64-C66 PolarHBondContact O-N 3.39Å; A64-E67 PolarHBondContact O-N 3.42Å; A64-A68 WeakPolarHBondContact O-CB 3.38Å; A64-A68 PolarHBondContact O-N 2.9Å
65A91.4Very high90.5Very high56 Ų5669.2 Ų69.246%0.46341%0.407SS..Hα-helixtrans-65.9-36.2179.100000111.9L61 V62 F63 A68 A69L61-A65 PolarHBondContact O-N 3.39Å; V62-A65 PolarHBondContact O-N 3.01Å; F63-A65 VanDerWaalsContact C-N 3.33Å; F63-A65 PolarHBondContact O-N 3.06Å; A65-A68 PolarHBondContact O-N 3.41Å; A65-A69 WeakPolarHBondContact O-CB 3.32Å; A65-A69 PolarHBondContact O-N 2.9Å
66C92.3Very high90.4Very high70 Ų7067.5 Ų67.547%0.47340%0.402SS..Hα-helixtrans-64.2-44.9174.3-64.80000111.9V62 F63 A64 A69 V70V62-C66 PolarHBondContact O-N 2.92Å; V62-C66 VanDerWaalsContact O-N 3.1Å; V62-C66 PolarHBondContact O-SG 3.42Å; F63-C66 WeakPolarHBondContact O-CB 3.41Å; F63-C66 PolarHBondContact O-N 2.85Å; A64-C66 VanDerWaalsContact C-N 3.32Å; A64-C66 PolarHBondContact O-N 3.39Å; C66-A69 PolarHBondContact O-N 3.05Å; C66-V70 WeakPolarHBondContact O-CG2 3.43Å; C66-V70 PolarHBondContact O-N 2.83Å; C66-V70 VanDerWaalsContact O-N 3.07Å
67E89.8Confident90.2Very high119 Ų11965.9 Ų65.956%0.55640%0.395SS*.Hα-helixtrans-62.8-43.2176.3-71-178.1172.300111.8F63 A64 A69 V70 G71F63-E67 PolarHBondContact O-N 3.45Å; A64-E67 PolarHBondContact O-N 3.42Å; E67-A69 PolarHBondContact O-N 3.27Å; E67-V70 PolarHBondContact O-N 3.2Å; E67-G71 PolarHBondContact O-N 3.02Å
68A90.3Very high89.7Confident22 Ų2267 Ų6718%0.18240%0.4CS..Hα-helixtrans-62.6-41.7176.200000112.2A64 A65 V70 G71 L72A64-A68 WeakPolarHBondContact O-CB 3.38Å; A64-A68 PolarHBondContact O-N 2.9Å; A65-A68 PolarHBondContact O-N 3.41Å; A68-V70 PolarHBondContact O-N 2.89Å; A68-G71 PolarHBondContact O-N 3.25Å; A68-L72 WeakPolarHBondContact O-CG 3.37Å; A68-L72 PolarHBondContact O-N 2.91Å
69A91.4Very high89.3Confident59 Ų5963.4 Ų63.449%0.48839%0.385SS..Hα-helixtrans-61.7-43.3176.300000112.3A65 C66 E67 L72 A73A65-A69 WeakPolarHBondContact O-CB 3.32Å; A65-A69 PolarHBondContact O-N 2.9Å; C66-A69 PolarHBondContact O-N 3.05Å; E67-A69 PolarHBondContact O-N 3.27Å; A69-L72 PolarHBondContact O-N 3.02Å; A69-A73 WeakPolarHBondContact O-CB 3.19Å; A69-A73 PolarHBondContact O-N 3.08Å
70V91.3Very high88.8Confident91 Ų9167.6 Ų67.655%0.55240%0.401SS*.Hα-helixtrans-66.4-41.3175176.20000110.9C66 E67 A68 L72 A73 L74C66-V70 WeakPolarHBondContact O-CG2 3.43Å; C66-V70 PolarHBondContact O-N 2.83Å; C66-V70 VanDerWaalsContact O-N 3.07Å; E67-V70 PolarHBondContact O-N 3.2Å; A68-V70 PolarHBondContact O-N 2.89Å; V70-L72 PolarHBondContact O-N 3.35Å; V70-A73 PolarHBondContact O-N 3.36Å; V70-L74 HydrophobicContact CG1-CD1 4.41Å; V70-L74 WeakPolarHBondContact O-CG 3.35Å; V70-L74 PolarHBondContact O-N 2.99Å
71G89.2Confident88.1Confident15 Ų1568.5 Ų68.516%0.15541%0.411CS..Hα-helixtrans-59.7-42.6176.200000113E67 A68 L74 L75E67-G71 PolarHBondContact O-N 3.02Å; A68-G71 PolarHBondContact O-N 3.25Å; G71-L74 PolarHBondContact O-N 3.42Å; G71-L75 PolarHBondContact O-N 2.95Å
72L87.9Confident87.1Confident76 Ų7668 Ų6840%0.39840%0.404SS..Hα-helixtrans-67.3-41.1174.6-72.9167.5000112.2M24 L27 A68 A69 V70 L74 L75 V76M24-L72 HydrophobicContact SD-CD2 4.34Å; L27-L72 HydrophobicContact CD1-CD2 3.93Å; L27-L72 HydrophobicContact CD1-CG 4.37Å; A68-L72 WeakPolarHBondContact O-CG 3.37Å; A68-L72 PolarHBondContact O-N 2.91Å; A69-L72 PolarHBondContact O-N 3.02Å; V70-L72 PolarHBondContact O-N 3.35Å; L72-L74 VanDerWaalsContact C-N 3.29Å; L72-L74 PolarHBondContact O-N 3.42Å; L72-L75 WeakPolarHBondContact O-CB 3.4Å; L72-L75 PolarHBondContact O-N 3.13Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L72-V76 WeakPolarHBondContact O-CG2 3.48Å; L72-V76 PolarHBondContact O-N 3.46Å
73A89.8Confident85.8Confident62 Ų6266.7 Ų66.751%0.51241%0.408SS..Hα-helixtrans-60.3-40.3175.700000111.9A69 V70 V76 S77A69-A73 WeakPolarHBondContact O-CB 3.19Å; A69-A73 PolarHBondContact O-N 3.08Å; V70-A73 PolarHBondContact O-N 3.36Å; A73-V76 PolarHBondContact O-N 3.19Å; A73-S77 PolarHBondContact O-N 3.42Å; A73-S77 VanDerWaalsContact O-N 3.08Å
74L85.9Confident84.6Confident101 Ų10164.5 Ų64.553%0.52940%0.402SS..Hα-helixtrans-64.1-42.8173.2-74.4171.4000111.8V70 G71 L72 V76 S77 I78V70-L74 HydrophobicContact CG1-CD1 4.41Å; V70-L74 WeakPolarHBondContact O-CG 3.35Å; V70-L74 PolarHBondContact O-N 2.99Å; G71-L74 PolarHBondContact O-N 3.42Å; L72-L74 VanDerWaalsContact C-N 3.29Å; L72-L74 PolarHBondContact O-N 3.42Å; L74-V76 VanDerWaalsContact C-N 3.32Å; L74-V76 PolarHBondContact O-N 3.1Å; L74-S77 WeakPolarHBondContact O-CB 3.49Å; L74-S77 PolarHBondContact O-N 3.03Å; L74-S77 PolarHBondContact O-OG 2.93Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 2.91Å
75L85.9Confident83.2Confident12 Ų1266.3 Ų66.36%0.06341%0.41CS..Hα-helixtrans-59.7-43.6177.4-164.3156.7000111.7L23 M24 L27 G71 L72 S77 I78 S79L23-L75 HydrophobicContact CB-CD1 4.03Å; L23-L75 HydrophobicContact CB-CG 4.46Å; L23-L75 HydrophobicContact CD2-CB 4.28Å; L23-L75 HydrophobicContact CD2-CD1 3.73Å; L23-L75 HydrophobicContact CD2-CG 4.16Å; L23-L75 HydrophobicContact CG-CD1 4.49Å; M24-L75 HydrophobicContact CB-CD1 4.46Å; M24-L75 HydrophobicContact CG-CD1 3.71Å; M24-L75 HydrophobicContact CG-CD2 4.48Å; M24-L75 HydrophobicContact SD-CD1 3.25Å; M24-L75 WeakPolarHBondContact SD-CD1 3.28Å; M24-L75 HydrophobicContact SD-CD2 4.07Å; M24-L75 HydrophobicContact SD-CG 4.31Å; L27-L75 HydrophobicContact CD1-CD1 3.58Å; G71-L75 PolarHBondContact O-N 2.95Å; L72-L75 WeakPolarHBondContact O-CB 3.4Å; L72-L75 PolarHBondContact O-N 3.13Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L75-S77 VanDerWaalsContact C-N 3.29Å; L75-S77 PolarHBondContact O-N 2.98Å; L75-I78 PolarHBondContact O-N 3.23Å; L75-S79 PolarHBondContact O-N 3.47Å; L75-S79 PolarHBondContact O-OG 3.48Å
76V86.7Confident81.8Confident79 Ų7968.1 Ų68.148%0.47941%0.405SS..Hα-helixtrans-61-38174.1174.70000111.5L72 A73 L74 S79 N80L72-V76 WeakPolarHBondContact O-CG2 3.48Å; L72-V76 PolarHBondContact O-N 3.46Å; A73-V76 PolarHBondContact O-N 3.19Å; L74-V76 VanDerWaalsContact C-N 3.32Å; L74-V76 PolarHBondContact O-N 3.1Å; V76-S79 WeakPolarHBondContact CA-OG 3.49Å; V76-S79 PolarHBondContact O-OG 3.45Å; V76-N80 WeakPolarHBondContact O-CB 3.5Å; V76-N80 PolarHBondContact O-N 2.9Å; V76-N80 PolarHBondContact O-ND2 3.13Å; V76-N80 VanDerWaalsContact O-ND2 3.14Å
77S84Confident80.3Confident54 Ų5467.2 Ų67.238%0.37840%0.398SS..Hα-helixtrans-66.2-39.9176.375.70000112.5A73 L74 L75 N80 T81A73-S77 PolarHBondContact O-N 3.42Å; A73-S77 VanDerWaalsContact O-N 3.08Å; L74-S77 WeakPolarHBondContact O-CB 3.49Å; L74-S77 PolarHBondContact O-N 3.03Å; L74-S77 PolarHBondContact O-OG 2.93Å; L75-S77 VanDerWaalsContact C-N 3.29Å; L75-S77 PolarHBondContact O-N 2.98Å; S77-N80 PolarHBondContact O-N 2.76Å; S77-T81 WeakPolarHBondContact O-CG2 3.27Å; S77-T81 PolarHBondContact O-N 2.91Å; S77-T81 VanDerWaalsContact O-N 3.12Å; S77-T81 PolarHBondContact O-OG1 3.44Å
78I80.6Confident78.8Confident25 Ų2568.5 Ų68.513%0.12840%0.403CS..Hα-helixtrans-67.9-42.3178-65.7164.1000110.7L23 L74 L75 N80 T81 Y82 L90L23-I78 HydrophobicContact CD1-CD1 3.87Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 2.91Å; L75-I78 PolarHBondContact O-N 3.23Å; I78-N80 VanDerWaalsContact C-N 3.31Å; I78-N80 PolarHBondContact O-N 3.38Å; I78-T81 PolarHBondContact O-N 3.38Å; I78-T81 PolarHBondContact O-OG1 3.29Å; I78-T81 VanDerWaalsContact O-OG1 3.1Å; I78-Y82 HydrophobicContact CG2-CD2 4.08Å; I78-Y82 PolarHBondContact O-N 2.91Å; I78-L90 HydrophobicContact CD1-CD1 4.35Å
79S81.7Confident77.4Confident33 Ų3370.4 Ų70.423%0.23141%0.41CS..Hα-helixtrans-66-35.3177.770.40000111.7L75 V76 G83 D85L75-S79 PolarHBondContact O-N 3.47Å; L75-S79 PolarHBondContact O-OG 3.48Å; V76-S79 WeakPolarHBondContact CA-OG 3.49Å; V76-S79 PolarHBondContact O-OG 3.45Å; S79-G83 WeakPolarHBondContact O-CA 3.34Å; S79-G83 PolarHBondContact O-N 3.39Å; S79-D85 WeakPolarHBondContact CB-OD1 3.41Å
80N82.5Confident76Confident130 Ų13070.5 Ų70.570%0.69540%0.403SS*.Hα-helixtrans-68.1-33.6173.5-74.3-28.6000113.5V76 S77 I78V76-N80 WeakPolarHBondContact O-CB 3.5Å; V76-N80 PolarHBondContact O-N 2.9Å; V76-N80 PolarHBondContact O-ND2 3.13Å; V76-N80 VanDerWaalsContact O-ND2 3.14Å; S77-N80 PolarHBondContact O-N 2.76Å; I78-N80 VanDerWaalsContact C-N 3.31Å; I78-N80 PolarHBondContact O-N 3.38Å
81T78.1Confident74.8Confident100 Ų10070.3 Ų70.361%0.61340%0.398SS*.Hα-helixtrans-84.9-35.9-179.353.80000113.7S77 I78S77-T81 WeakPolarHBondContact O-CG2 3.27Å; S77-T81 PolarHBondContact O-N 2.91Å; S77-T81 VanDerWaalsContact O-N 3.12Å; S77-T81 PolarHBondContact O-OG1 3.44Å; I78-T81 PolarHBondContact O-N 3.38Å; I78-T81 PolarHBondContact O-OG1 3.29Å; I78-T81 VanDerWaalsContact O-OG1 3.1Å
82Y72.6Confident73.7Confident80 Ų8075.5 Ų75.531%0.31442%0.422SS..Hα-helixtrans-112.8-4.2-174.1-63.3-77.9000114.2I78 L84 N89 L90 L92I78-Y82 HydrophobicContact CG2-CD2 4.08Å; I78-Y82 PolarHBondContact O-N 2.91Å; Y82-L84 PolarHBondContact O-N 2.91Å; Y82-N89 HydrophobicContact CD1-CB 3.78Å; Y82-N89 HydrophobicContact CE1-CB 4.3Å; Y82-N89 WeakPolarHBondContact CE1-O 3.38Å; Y82-N89 HydrophobicContact CG-CB 3.91Å; Y82-L90 HydrophobicContact CE2-CD2 3.85Å; Y82-L92 HydrophobicContact CE1-CD1 4.15Å; Y82-L92 VanDerWaalsContact OH-CD1 3.32Å; Y82-L92 WeakPolarHBondContact OH-CD1 3.42Å
83G67.6Low72.9Confident60 Ų6079.6 Ų79.662%0.61944%0.443SS*.SBendtrans69.4-8.2-179.900000115.3S79S79-G83 WeakPolarHBondContact O-CA 3.34Å; S79-G83 PolarHBondContact O-N 3.39Å
84L65.3Low71.8Confident96 Ų9684.5 Ų84.550%0.50346%0.456SS..SBendtrans-144.7140-174.6-64.4169.2000110.6Y82 Y86Y82-L84 PolarHBondContact O-N 2.91Å; L84-Y86 HydrophobicContact CB-CD2 3.62Å; L84-Y86 HydrophobicContact CB-CE2 4.12Å; L84-Y86 HydrophobicContact CD1-CD2 3.97Å; L84-Y86 HydrophobicContact CD1-CE2 4.04Å; L84-Y86 HydrophobicContact CD2-CE2 4.35Å; L84-Y86 HydrophobicContact CG-CD2 4.29Å; L84-Y86 HydrophobicContact CG-CE2 4.41Å; L84-Y86 PolarHBondContact O-N 3.03Å
85D62.4Low70.5Confident52 Ų5288.3 Ų88.328%0.27849%0.489SS..  trans-74.424.6-177.3-58.9-24.6000114.5L23 S79L23-D85 PolarHBondContact N-O 3.34Å; S79-D85 WeakPolarHBondContact CB-OD1 3.41Å
86Y62.5Low69.7Low94 Ų9492.1 Ų92.137%0.36951%0.51SS..BIsolated β-bridgetrans-86120.6-174.6-69.4-57.2000111.9S21 H22 L84 H88 N89S21-Y86 WeakPolarHBondContact O-CA 3.31Å; H22-Y86 AromaticContact CE1-CE1 3.45Å; H22-Y86 VanDerWaalsContact CE1-CE1 3.45Å; H22-Y86 WeakPolarHBondContact CE1-CE1 3.4Å; H22-Y86 AromaticContact CE1-CZ 3.9Å; H22-Y86 AromaticContact NE2-CE1 3.77Å; L84-Y86 HydrophobicContact CB-CD2 3.62Å; L84-Y86 HydrophobicContact CB-CE2 4.12Å; L84-Y86 HydrophobicContact CD1-CD2 3.97Å; L84-Y86 HydrophobicContact CD1-CE2 4.04Å; L84-Y86 HydrophobicContact CD2-CE2 4.35Å; L84-Y86 HydrophobicContact CG-CD2 4.29Å; L84-Y86 HydrophobicContact CG-CE2 4.41Å; L84-Y86 PolarHBondContact O-N 3.03Å; Y86-H88 PolarHBondContact O-N 3.38Å; Y86-H88 VanDerWaalsContact O-N 3.16Å; Y86-N89 PolarHBondContact O-N 2.96Å; Y86-N89 VanDerWaalsContact O-N 3.17Å
87V60.8Low68.8Low51 Ų5192.8 Ų92.831%0.30951%0.511SS..G310 helixtrans-58-29.3176.2-178.20000112S21 L23 N89 L90S21-V87 PolarHBondContact O-N 3.23Å; L23-V87 HydrophobicContact CB-CG2 4.27Å; L23-V87 HydrophobicContact CD1-CG2 4.23Å; L23-V87 HydrophobicContact CG-CG2 4.44Å; V87-N89 PolarHBondContact O-N 2.74Å; V87-L90 PolarHBondContact O-N 3.42Å
88H59.3Low68Low146 Ų14694.9 Ų94.968%0.67652%0.519SS*.G310 helixtrans-66.3-17.3-178.9-162.7-59.3000113.8Y86 L90Y86-H88 PolarHBondContact O-N 3.38Å; Y86-H88 VanDerWaalsContact O-N 3.16Å; H88-L90 PolarHBondContact O-N 3.19Å
89N59.6Low67.2Low62 Ų6299.1 Ų99.133%0.33254%0.542SS..G310 helixtrans-76.8-10.1177.6-76.5-0.9000113.1Y82 Y86 V87 N91Y82-N89 HydrophobicContact CD1-CB 3.78Å; Y82-N89 HydrophobicContact CE1-CB 4.3Å; Y82-N89 WeakPolarHBondContact CE1-O 3.38Å; Y82-N89 HydrophobicContact CG-CB 3.91Å; Y86-N89 PolarHBondContact O-N 2.96Å; Y86-N89 VanDerWaalsContact O-N 3.17Å; V87-N89 PolarHBondContact O-N 2.74Å; N89-N91 VanDerWaalsContact C-N 3.25Å; N89-N91 PolarHBondContact O-N 3.33Å
90L62.1Low66.3Low62 Ų62103.2 Ų103.233%0.32556%0.561SS.*G310 helixtrans-84.421.5-178.9-63.1169.4000114.2I78 Y82 V87 H88 L92I78-L90 HydrophobicContact CD1-CD1 4.35Å; Y82-L90 HydrophobicContact CE2-CD2 3.85Å; V87-L90 PolarHBondContact O-N 3.42Å; H88-L90 PolarHBondContact O-N 3.19Å; L90-L92 PolarHBondContact O-N 3.13Å
91N66.8Low65.2Low86 Ų86101.4 Ų101.446%0.4655%0.552SS.*G310 helixtrans-77.41.3-178.4-76-2000114.8N89 L93 Q94N89-N91 VanDerWaalsContact C-N 3.25Å; N89-N91 PolarHBondContact O-N 3.33Å; N91-L93 PolarHBondContact O-N 3.02Å; N91-Q94 WeakPolarHBondContact O-CB 3.48Å; N91-Q94 PolarHBondContact O-N 3.29Å
92L65.9Low64.3Low124 Ų124101.5 Ų101.565%0.64955%0.548SS*.G310 helixtrans-66.2-20.2179.1-80.1161.5000113.8Y82 L90 Q94Y82-L92 HydrophobicContact CE1-CD1 4.15Å; Y82-L92 VanDerWaalsContact OH-CD1 3.32Å; Y82-L92 WeakPolarHBondContact OH-CD1 3.42Å; L90-L92 PolarHBondContact O-N 3.13Å; L92-Q94 VanDerWaalsContact C-N 3.29Å
93L70.6Confident63.7Low163 Ų163103.2 Ų103.285%0.85357%0.566SS**G310 helixtrans-84.10.7177.2-76.3156.7000113.7N91N91-L93 PolarHBondContact O-N 3.02Å
94Q66.9Low63.4Low165 Ų165106.8 Ų106.877%0.77156%0.562SS**G310 helixtrans-81.9-2.3175.4-161.7176.3-8.200112.7N91 L92N91-Q94 WeakPolarHBondContact O-CB 3.48Å; N91-Q94 PolarHBondContact O-N 3.29Å; L92-Q94 VanDerWaalsContact C-N 3.29Å
95C58.3Low63.2Low180 Ų180107.7 Ų107.7100%1.21657%0.567SS**  trans-82.70175.4-68.30000112.7

Retrieved 95 of 95 residues in 194.5 ms (Link to these results)