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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 A0A059QHK0, Species HUMAN (Homo sapiens, Human), Gene ND4L, Length 82 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
1L53.8Low61.7Low172 Ų17299.4 Ų99.490%0.90151%0.506SS*.  0-36.90-76.9163.4000113.1I3 L4 V5L1-I3 PolarHBondContact O-N 3.43Å; L1-L4 PolarHBondContact O-N 3.22Å; L1-V5 WeakPolarHBondContact O-CG2 3.45Å; L1-V5 PolarHBondContact O-N 3.23Å
2G63.2Low63Low47 Ų4794.9 Ų94.949%0.48549%0.49SS..THydrogen-bonded Turntrans-57.7-37.7-17700000116.3V5G2-V5 VanDerWaalsContact O-O 3.12Å
3I60.5Low64.3Low37 Ų3788.7 Ų88.719%0.1946%0.46CS..THydrogen-bonded Turntrans-85-35.8177.4-60.5156.4000111.7L1 V5 C16 L17 M20L1-I3 PolarHBondContact O-N 3.43Å; I3-V5 PolarHBondContact O-N 3.45Å; I3-C16 HydrophobicContact CD1-CB 4Å; I3-C16 HydrophobicContact CG1-CB 3.46Å; I3-C16 VanDerWaalsContact CG1-CB 3.46Å; I3-L17 HydrophobicContact CD1-CD2 4.12Å; I3-L17 HydrophobicContact CD1-CG 3.91Å; I3-M20 HydrophobicContact CD1-CE 3.03Å; I3-M20 HydrophobicContact CD1-CG 4.27Å; I3-M20 HydrophobicContact CD1-SD 3.48Å; I3-M20 WeakPolarHBondContact CD1-SD 3.37Å
4L59.1Low65.6Low147 Ų14784.1 Ų84.177%0.7744%0.437SS*.THydrogen-bonded Turntrans-66.6-28.3178.3-77.7159.4000112.2L1 Y6L1-L4 PolarHBondContact O-N 3.22Å; L4-Y6 PolarHBondContact O-N 3.14Å
5V58.3Low66.7Low85 Ų8586.1 Ų86.152%0.51545%0.447SS..SBendtrans-94.485.7169.1-177.60000107.1L1 G2 I3 R7L1-V5 WeakPolarHBondContact O-CG2 3.45Å; L1-V5 PolarHBondContact O-N 3.23Å; G2-V5 VanDerWaalsContact O-O 3.12Å; I3-V5 PolarHBondContact O-N 3.45Å; V5-R7 VanDerWaalsContact C-N 3.25Å; V5-R7 PolarHBondContact O-N 3.34Å
6Y55.4Low67.7Low162 Ų16283.7 Ų83.764%0.63544%0.439SS*.  trans-58.790.6171.3-75.1-84.7000109.4L4L4-Y6 PolarHBondContact O-N 3.14Å
7R54.8Low68.6Low188 Ų18883.3 Ų83.371%0.70944%0.437SS*.  trans-63148.3161.6-86.3-85.9-165.6111.11.1107V5 H9V5-R7 VanDerWaalsContact C-N 3.25Å; V5-R7 PolarHBondContact O-N 3.34Å; R7-H9 PolarHBondContact O-N 3.41Å
8S59Low69.6Low55 Ų5583.8 Ų83.839%0.38544%0.437SS..SBendtrans-46.6-18.7-175.856.70000116.2Y73S8-Y73 WeakPolarHBondContact O-CA 3.44Å; S8-Y73 WeakPolarHBondContact O-CD1 3.42Å
9H67.9Low70.5Confident81 Ų8181.7 Ų81.738%0.37544%0.437SS..BIsolated β-bridgetrans-107.4116.4-178.7-60.6-73000112.8R7 M11 S12 Y73R7-H9 PolarHBondContact O-N 3.41Å; H9-M11 PolarHBondContact O-N 3.12Å; H9-S12 PolarHBondContact O-N 3.41Å; H9-S12 PolarHBondContact O-OG 3.04Å; H9-Y73 AromaticContact CE1-CE1 3.87Å
10L70.6Confident71.3Confident34 Ų3482.2 Ų82.218%0.17844%0.438CS..Hα-helixtrans-59.9-27.5176.9-147.8150.9000112.8S12 S13 L14 L62 I65 V74L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 2.96Å; L10-S13 WeakPolarHBondContact CA-OG 3.48Å; L10-S13 PolarHBondContact O-N 3.2Å; L10-S13 PolarHBondContact O-OG 3.39Å; L10-L14 HydrophobicContact CD2-CD1 4.2Å; L10-L14 HydrophobicContact CD2-CG 4.34Å; L10-L14 PolarHBondContact O-N 2.65Å; L10-L14 VanDerWaalsContact O-N 3.11Å; L10-L62 HydrophobicContact CB-CD1 3.92Å; L10-L62 HydrophobicContact CB-CG 4.37Å; L10-L62 HydrophobicContact CD2-CB 4.27Å; L10-L62 HydrophobicContact CD2-CD1 3.73Å; L10-L62 HydrophobicContact CD2-CG 4.14Å; L10-L62 HydrophobicContact CG-CD1 4.42Å; L10-I65 HydrophobicContact CD1-CD1 4Å; L10-V74 HydrophobicContact CB-CG2 4.38Å; L10-V74 HydrophobicContact CD1-CG2 4.22Å; L10-V74 HydrophobicContact CG-CG2 4.44Å
11M75.9Confident72.2Confident85 Ų8580.8 Ų80.842%0.41943%0.43SS..Hα-helixtrans-58.7-40.7172.1-70.6-63.6-72.100112.9H9 S13 L14 L15 L62H9-M11 PolarHBondContact O-N 3.12Å; M11-S13 VanDerWaalsContact C-N 3.33Å; M11-S13 PolarHBondContact O-N 3.06Å; M11-L14 PolarHBondContact O-N 3.09Å; M11-L15 PolarHBondContact O-N 3.08Å; M11-L15 VanDerWaalsContact O-N 3.09Å; M11-L62 HydrophobicContact CB-CD1 4.49Å; M11-L62 HydrophobicContact CG-CD1 3.75Å; M11-L62 HydrophobicContact CG-CD2 4.45Å; M11-L62 HydrophobicContact SD-CD1 3.32Å; M11-L62 WeakPolarHBondContact SD-CD1 3.19Å; M11-L62 HydrophobicContact SD-CD2 4.01Å; M11-L62 HydrophobicContact SD-CG 4.34Å
12S77.7Confident73.8Confident46 Ų4677.8 Ų77.832%0.32241%0.414SS..Hα-helixtrans-70-32.2-178.568.50000112.3H9 L10 C16H9-S12 PolarHBondContact O-N 3.41Å; H9-S12 PolarHBondContact O-OG 3.04Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 2.96Å; S12-C16 PolarHBondContact O-N 3.01Å; S12-C16 VanDerWaalsContact O-N 3.16Å; S12-C16 PolarHBondContact O-SG 3.22Å
13S80.1Confident75.1Confident14 Ų1478.9 Ų78.910%0.09841%0.414CS..Hα-helixtrans-71.2-36.7173.249.50000112.5L10 M11 C16 L17L10-S13 WeakPolarHBondContact CA-OG 3.48Å; L10-S13 PolarHBondContact O-N 3.2Å; L10-S13 PolarHBondContact O-OG 3.39Å; M11-S13 VanDerWaalsContact C-N 3.33Å; M11-S13 PolarHBondContact O-N 3.06Å; S13-C16 PolarHBondContact O-N 3.02Å; S13-L17 PolarHBondContact O-N 3.41Å
14L81.9Confident76.5Confident25 Ų2581.1 Ų81.113%0.13143%0.426CS..Hα-helixtrans-63.1-45.8174.8-77.4169.1000111.6L10 M11 C16 L17 E18 L59 L62L10-L14 HydrophobicContact CD2-CD1 4.2Å; L10-L14 HydrophobicContact CD2-CG 4.34Å; L10-L14 PolarHBondContact O-N 2.65Å; L10-L14 VanDerWaalsContact O-N 3.11Å; M11-L14 PolarHBondContact O-N 3.09Å; L14-C16 VanDerWaalsContact C-N 3.27Å; L14-C16 PolarHBondContact O-N 3.4Å; L14-L17 WeakPolarHBondContact O-CB 3.34Å; L14-L17 PolarHBondContact O-N 2.92Å; L14-L17 VanDerWaalsContact O-N 3.08Å; L14-E18 PolarHBondContact O-N 2.88Å; L14-L59 HydrophobicContact CD1-CD2 4.05Å; L14-L59 HydrophobicContact CD1-CG 4.34Å; L14-L62 HydrophobicContact CD1-CB 4.37Å; L14-L62 HydrophobicContact CD1-CD1 3.46Å; L14-L62 VanDerWaalsContact CD1-CD1 3.46Å
15L81.8Confident78Confident113 Ų11377.3 Ų77.359%0.59240%0.403SS*.Hα-helixtrans-61-36.7175.3-73.3171.9000112.4M11 E18 G19M11-L15 PolarHBondContact O-N 3.08Å; M11-L15 VanDerWaalsContact O-N 3.09Å; L15-E18 PolarHBondContact O-N 2.87Å; L15-G19 PolarHBondContact O-N 3.3Å
16C84Confident79.5Confident48 Ų4877.3 Ų77.332%0.32440%0.399SS..Hα-helixtrans-67.3-37.4174.8-68.40000112.1I3 S12 S13 L14 G19 M20I3-C16 HydrophobicContact CD1-CB 4Å; I3-C16 HydrophobicContact CG1-CB 3.46Å; I3-C16 VanDerWaalsContact CG1-CB 3.46Å; S12-C16 PolarHBondContact O-N 3.01Å; S12-C16 VanDerWaalsContact O-N 3.16Å; S12-C16 PolarHBondContact O-SG 3.22Å; S13-C16 PolarHBondContact O-N 3.02Å; L14-C16 VanDerWaalsContact C-N 3.27Å; L14-C16 PolarHBondContact O-N 3.4Å; C16-G19 PolarHBondContact O-N 3.08Å; C16-M20 WeakPolarHBondContact O-CG 3.17Å; C16-M20 PolarHBondContact O-N 3.22Å; C16-M20 VanDerWaalsContact O-N 3.08Å
17L82.8Confident81.2Confident77 Ų7774.8 Ų74.840%0.40340%0.395SS..Hα-helixtrans-62.9-45.9174.1-87.5162.6000111.4I3 S13 L14 G19 M20 M21I3-L17 HydrophobicContact CD1-CD2 4.12Å; I3-L17 HydrophobicContact CD1-CG 3.91Å; S13-L17 PolarHBondContact O-N 3.41Å; L14-L17 WeakPolarHBondContact O-CB 3.34Å; L14-L17 PolarHBondContact O-N 2.92Å; L14-L17 VanDerWaalsContact O-N 3.08Å; L17-G19 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3.13Å; L17-M20 HydrophobicContact CD2-CE 3.66Å; L17-M20 HydrophobicContact CG-CE 4.44Å; L17-M20 PolarHBondContact O-N 3.29Å; L17-M21 WeakPolarHBondContact O-CG 3.49Å; L17-M21 PolarHBondContact O-N 3.48Å
18E85.5Confident82.7Confident93 Ų9367.1 Ų67.144%0.43537%0.372SS..Hα-helixtrans-58-43.4174.8-72.1-174.8164.300111.8L14 L15 M20 M21 L22L14-E18 PolarHBondContact O-N 2.88Å; L15-E18 PolarHBondContact O-N 2.87Å; E18-M20 PolarHBondContact O-N 2.99Å; E18-M21 PolarHBondContact O-N 2.87Å; E18-L22 WeakPolarHBondContact O-CB 3.37Å; E18-L22 PolarHBondContact O-N 3.06Å
19G86.4Confident84.1Confident43 Ų4366 Ų6644%0.44336%0.362SS..Hα-helixtrans-60.2-40.2175.900000113.6L15 C16 L17 L22 S23L15-G19 PolarHBondContact O-N 3.3Å; C16-G19 PolarHBondContact O-N 3.08Å; L17-G19 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3.13Å; G19-L22 PolarHBondContact O-N 3.5Å; G19-S23 PolarHBondContact O-N 3.46Å
20M87.9Confident85.1Confident91 Ų9166.7 Ų66.745%0.44837%0.369SS..Hα-helixtrans-66-44.7175.4-68.2-167-4500112I3 C16 L17 E18 L22 S23 L24I3-M20 HydrophobicContact CD1-CE 3.03Å; I3-M20 HydrophobicContact CD1-CG 4.27Å; I3-M20 HydrophobicContact CD1-SD 3.48Å; I3-M20 WeakPolarHBondContact CD1-SD 3.37Å; C16-M20 WeakPolarHBondContact O-CG 3.17Å; C16-M20 PolarHBondContact O-N 3.22Å; C16-M20 VanDerWaalsContact O-N 3.08Å; L17-M20 HydrophobicContact CD2-CE 3.66Å; L17-M20 HydrophobicContact CG-CE 4.44Å; L17-M20 PolarHBondContact O-N 3.29Å; E18-M20 PolarHBondContact O-N 2.99Å; M20-L22 VanDerWaalsContact C-N 3.27Å; M20-L22 PolarHBondContact O-N 3.33Å; M20-S23 PolarHBondContact O-N 2.96Å; M20-S23 PolarHBondContact O-OG 3.42Å; M20-L24 PolarHBondContact O-N 3.28Å
21M89.7Confident85.8Confident54 Ų5470.2 Ų70.227%0.26639%0.386SS..Hα-helixtrans-61.2-38.5177.8-64.4-56.4-78.700111.6L17 E18 L24 F25 A51L17-M21 WeakPolarHBondContact O-CG 3.49Å; L17-M21 PolarHBondContact O-N 3.48Å; E18-M21 PolarHBondContact O-N 2.87Å; M21-L24 PolarHBondContact O-N 2.98Å; M21-L24 HydrophobicContact SD-CD1 4.39Å; M21-F25 PolarHBondContact O-N 3.02Å; M21-A51 HydrophobicContact CB-CB 4.11Å; M21-A51 HydrophobicContact CE-CB 3.3Å; M21-A51 HydrophobicContact CG-CB 4.11Å
22L88.4Confident86.3Confident109 Ų10967 Ų6757%0.57137%0.37SS*.Hα-helixtrans-66.4-41.3176.8-151.7155000111.5E18 G19 M20 L24 F25 I26E18-L22 WeakPolarHBondContact O-CB 3.37Å; E18-L22 PolarHBondContact O-N 3.06Å; G19-L22 PolarHBondContact O-N 3.5Å; M20-L22 VanDerWaalsContact C-N 3.27Å; M20-L22 PolarHBondContact O-N 3.33Å; L22-L24 PolarHBondContact O-N 3.48Å; L22-F25 WeakPolarHBondContact O-CB 3.4Å; L22-F25 PolarHBondContact O-N 3.28Å; L22-I26 HydrophobicContact CD2-CD1 3.63Å; L22-I26 HydrophobicContact CD2-CG1 4.19Å; L22-I26 WeakPolarHBondContact O-CG1 3.47Å; L22-I26 PolarHBondContact O-N 2.96Å
23S89.9Confident86.7Confident70 Ų7070 Ų7049%0.4938%0.383SS..Hα-helixtrans-62.8-39.4174.774.10000113.1G19 M20 F25 I26 M27G19-S23 PolarHBondContact O-N 3.46Å; M20-S23 PolarHBondContact O-N 2.96Å; M20-S23 PolarHBondContact O-OG 3.42Å; S23-F25 VanDerWaalsContact C-N 3.35Å; S23-I26 PolarHBondContact O-N 3.4Å; S23-M27 PolarHBondContact O-N 3.16Å
24L88.4Confident86.9Confident84 Ų8475.1 Ų75.144%0.4441%0.409SS..Hα-helixtrans-65.4-40175.8-79.6165.4000111.2M20 M21 L22 M27 A28M20-L24 PolarHBondContact O-N 3.28Å; M21-L24 PolarHBondContact O-N 2.98Å; M21-L24 HydrophobicContact SD-CD1 4.39Å; L22-L24 PolarHBondContact O-N 3.48Å; L24-M27 PolarHBondContact O-N 3.48Å; L24-A28 VanDerWaalsContact O-CB 3.3Å; L24-A28 WeakPolarHBondContact O-CB 3.41Å; L24-A28 PolarHBondContact O-N 2.89Å
25F90.6Very high86.9Confident66 Ų6678.3 Ų78.329%0.28943%0.429SS..Hα-helixtrans-62-45.6174.9176.8-97.8000112.1M21 L22 S23 M27 A28 T29 P44 L48M21-F25 PolarHBondContact O-N 3.02Å; L22-F25 WeakPolarHBondContact O-CB 3.4Å; L22-F25 PolarHBondContact O-N 3.28Å; S23-F25 VanDerWaalsContact C-N 3.35Å; F25-M27 PolarHBondContact O-N 2.97Å; F25-A28 PolarHBondContact O-N 3.19Å; F25-T29 HydrophobicContact CD1-CG2 4.3Å; F25-T29 HydrophobicContact CD2-CG2 4.27Å; F25-T29 HydrophobicContact CE1-CG2 3.9Å; F25-T29 HydrophobicContact CE2-CG2 3.87Å; F25-T29 HydrophobicContact CG-CG2 4.48Å; F25-T29 HydrophobicContact CZ-CG2 3.67Å; F25-T29 WeakPolarHBondContact O-CB 3.3Å; F25-T29 VanDerWaalsContact O-CG2 3.32Å; F25-T29 WeakPolarHBondContact O-CG2 3.39Å; F25-T29 PolarHBondContact O-N 3.43Å; F25-T29 PolarHBondContact O-OG1 2.87Å; F25-P44 HydrophobicContact CD2-CB 3.85Å; F25-P44 WeakPolarHBondContact CD2-O 3.46Å; F25-P44 HydrophobicContact CE2-CB 3.76Å; F25-P44 WeakPolarHBondContact CE2-O 3.43Å; F25-L48 HydrophobicContact CD1-CD1 4.49Å; F25-L48 HydrophobicContact CD2-CB 4.26Å; F25-L48 HydrophobicContact CD2-CD1 3.81Å; F25-L48 HydrophobicContact CE1-CD1 4.39Å; F25-L48 HydrophobicContact CE2-CB 4.39Å; F25-L48 HydrophobicContact CE2-CD1 3.68Å; F25-L48 HydrophobicContact CG-CD1 4.22Å; F25-L48 HydrophobicContact CZ-CD1 3.99Å
26I91.1Very high86.7Confident85 Ų8581.1 Ų81.144%0.43644%0.439SS..Hα-helixtrans-61.8-44.5176.7-66.6169.5000110.7L22 S23 A28 T29 L30L22-I26 HydrophobicContact CD2-CD1 3.63Å; L22-I26 HydrophobicContact CD2-CG1 4.19Å; L22-I26 WeakPolarHBondContact O-CG1 3.47Å; L22-I26 PolarHBondContact O-N 2.96Å; S23-I26 PolarHBondContact O-N 3.4Å; I26-A28 PolarHBondContact O-N 3Å; I26-T29 WeakPolarHBondContact CA-OG1 3.36Å; I26-T29 PolarHBondContact O-N 3.49Å; I26-T29 PolarHBondContact O-OG1 2.7Å; I26-L30 HydrophobicContact CG2-CD1 3.89Å; I26-L30 HydrophobicContact CG2-CG 4.48Å; I26-L30 WeakPolarHBondContact O-CB 3.45Å; I26-L30 WeakPolarHBondContact O-CG 3.45Å; I26-L30 PolarHBondContact O-N 3.11Å
27M90.2Very high86.3Confident109 Ų10980.9 Ų80.954%0.53744%0.438SS..Hα-helixtrans-63.1-44.8178.1-167-161.177.900111.5S23 L24 F25 L30 M31S23-M27 PolarHBondContact O-N 3.16Å; L24-M27 PolarHBondContact O-N 3.48Å; F25-M27 PolarHBondContact O-N 2.97Å; M27-L30 PolarHBondContact O-N 3.37Å; M27-M31 WeakPolarHBondContact O-CG 3.41Å; M27-M31 PolarHBondContact O-N 3.42Å; M27-M31 VanDerWaalsContact O-N 3.07Å
28A87.3Confident85.9Confident28 Ų2884.8 Ų84.823%0.23146%0.458CS..Hα-helixtrans-62.9-45.2179.500000111.8L24 F25 I26 M31 T32 P44L24-A28 VanDerWaalsContact O-CB 3.3Å; L24-A28 WeakPolarHBondContact O-CB 3.41Å; L24-A28 PolarHBondContact O-N 2.89Å; F25-A28 PolarHBondContact O-N 3.19Å; I26-A28 PolarHBondContact O-N 3Å; A28-M31 PolarHBondContact O-N 3.31Å; A28-T32 WeakPolarHBondContact O-CG2 3.48Å; A28-T32 PolarHBondContact O-N 3.21Å; A28-P44 HydrophobicContact CB-CB 4.24Å
29T87.5Confident85.5Confident30 Ų3087.4 Ų87.418%0.18448%0.475CS..Hα-helixtrans-65-38.5177.751.50000112.6F25 I26 M31 T32 L33 P44F25-T29 HydrophobicContact CD1-CG2 4.3Å; F25-T29 HydrophobicContact CD2-CG2 4.27Å; F25-T29 HydrophobicContact CE1-CG2 3.9Å; F25-T29 HydrophobicContact CE2-CG2 3.87Å; F25-T29 HydrophobicContact CG-CG2 4.48Å; F25-T29 HydrophobicContact CZ-CG2 3.67Å; F25-T29 WeakPolarHBondContact O-CB 3.3Å; F25-T29 VanDerWaalsContact O-CG2 3.32Å; F25-T29 WeakPolarHBondContact O-CG2 3.39Å; F25-T29 PolarHBondContact O-N 3.43Å; F25-T29 PolarHBondContact O-OG1 2.87Å; I26-T29 WeakPolarHBondContact CA-OG1 3.36Å; I26-T29 PolarHBondContact O-N 3.49Å; I26-T29 PolarHBondContact O-OG1 2.7Å; T29-M31 VanDerWaalsContact C-N 3.31Å; T29-M31 PolarHBondContact O-N 3.41Å; T29-T32 WeakPolarHBondContact CA-OG1 3.32Å; T29-T32 PolarHBondContact O-N 2.78Å; T29-T32 PolarHBondContact O-OG1 3.08Å; T29-L33 WeakPolarHBondContact O-CB 3.23Å; T29-L33 WeakPolarHBondContact O-CD1 3.49Å; T29-L33 WeakPolarHBondContact O-CG 3.45Å; T29-L33 PolarHBondContact O-N 3.35Å; T29-P44 HydrophobicContact CG2-CB 3.75Å; T29-P44 HydrophobicContact CG2-CG 4.01Å
30L89.3Confident85.2Confident96 Ų9686.8 Ų86.850%0.50347%0.465SS..Hα-helixtrans-62.7-38.3173.2-74.7168000112.1I26 M27 N34I26-L30 HydrophobicContact CG2-CD1 3.89Å; I26-L30 HydrophobicContact CG2-CG 4.48Å; I26-L30 WeakPolarHBondContact O-CB 3.45Å; I26-L30 WeakPolarHBondContact O-CG 3.45Å; I26-L30 PolarHBondContact O-N 3.11Å; M27-L30 PolarHBondContact O-N 3.37Å; L30-N34 WeakPolarHBondContact O-CB 3.48Å; L30-N34 PolarHBondContact O-N 3.25Å; L30-N34 PolarHBondContact O-ND2 2.96Å
31M86.3Confident84.8Confident109 Ų10985.7 Ų85.754%0.53746%0.461SS..Hα-helixtrans-69.1-39.7176.5-70.1-63.6-16500112.7M27 A28 T29 L33 N34 T35M27-M31 WeakPolarHBondContact O-CG 3.41Å; M27-M31 PolarHBondContact O-N 3.42Å; M27-M31 VanDerWaalsContact O-N 3.07Å; A28-M31 PolarHBondContact O-N 3.31Å; T29-M31 VanDerWaalsContact C-N 3.31Å; T29-M31 PolarHBondContact O-N 3.41Å; M31-L33 VanDerWaalsContact C-N 3.35Å; M31-N34 PolarHBondContact O-N 2.72Å; M31-T35 WeakPolarHBondContact O-CG2 3.48Å; M31-T35 PolarHBondContact O-N 3.02Å; M31-T35 VanDerWaalsContact O-N 3.12Å; M31-T35 PolarHBondContact O-OG1 3.03Å
32T85.8Confident84.6Confident16 Ų1688.3 Ų88.310%0.09848%0.475CS..Hα-helixtrans-66.8-38.7176.559.80000111.4A28 T29 T35 H36 S37 A40 N41 P44A28-T32 WeakPolarHBondContact O-CG2 3.48Å; A28-T32 PolarHBondContact O-N 3.21Å; T29-T32 WeakPolarHBondContact CA-OG1 3.32Å; T29-T32 PolarHBondContact O-N 2.78Å; T29-T32 PolarHBondContact O-OG1 3.08Å; T32-T35 PolarHBondContact O-N 3.48Å; T32-T35 PolarHBondContact O-OG1 3.45Å; T32-H36 PolarHBondContact O-N 3.27Å; T32-S37 PolarHBondContact O-N 3.32Å; T32-A40 HydrophobicContact CG2-CB 3.76Å; T32-A40 WeakPolarHBondContact CG2-O 3.41Å; T32-N41 PolarHBondContact OG1-OD1 3.48Å; T32-P44 HydrophobicContact CG2-CG 4.42Å
33L85.1Confident84.6Confident111 Ų11187.4 Ų87.458%0.58147%0.474SS*.Hα-helixtrans-63.9-45.7174.6-71.3168.4000111.9T29 M31 T35 H36T29-L33 WeakPolarHBondContact O-CB 3.23Å; T29-L33 WeakPolarHBondContact O-CD1 3.49Å; T29-L33 WeakPolarHBondContact O-CG 3.45Å; T29-L33 PolarHBondContact O-N 3.35Å; M31-L33 VanDerWaalsContact C-N 3.35Å; L33-T35 VanDerWaalsContact C-N 3.29Å; L33-T35 PolarHBondContact O-N 2.99Å; L33-H36 PolarHBondContact O-N 3.4Å
34N84.9Confident84.5Confident121 Ų12184.2 Ų84.265%0.64745%0.451SS*.Hα-helixtrans-63.3-33178.8-81.9-31.2000113.3L30 M31 H36L30-N34 WeakPolarHBondContact O-CB 3.48Å; L30-N34 PolarHBondContact O-N 3.25Å; L30-N34 PolarHBondContact O-ND2 2.96Å; M31-N34 PolarHBondContact O-N 2.72Å; N34-H36 VanDerWaalsContact C-N 3.31Å
35T82Confident84.5Confident92 Ų9285.3 Ų85.356%0.56446%0.457SS*.THydrogen-bonded Turntrans-87.71.4-179.454.80000113.3M31 T32 L33 S37M31-T35 WeakPolarHBondContact O-CG2 3.48Å; M31-T35 PolarHBondContact O-N 3.02Å; M31-T35 VanDerWaalsContact O-N 3.12Å; M31-T35 PolarHBondContact O-OG1 3.03Å; T32-T35 PolarHBondContact O-N 3.48Å; T32-T35 PolarHBondContact O-OG1 3.45Å; L33-T35 VanDerWaalsContact C-N 3.29Å; L33-T35 PolarHBondContact O-N 2.99Å; T35-S37 PolarHBondContact O-N 3.36Å; T35-S37 PolarHBondContact OG1-OG 3.31Å
36H77.8Confident84.5Confident172 Ų17284.1 Ų84.180%0.79646%0.459SS*.THydrogen-bonded Turntrans4729.2-176.2-69.4-72.8000113.9T32 L33 N34 L38T32-H36 PolarHBondContact O-N 3.27Å; L33-H36 PolarHBondContact O-N 3.4Å; N34-H36 VanDerWaalsContact C-N 3.31Å; H36-L38 PolarHBondContact O-N 2.75Å
37S74.9Confident84.5Confident43 Ų4384.6 Ų84.630%0.30146%0.461SS..  trans-98.393-174.158.60000110.2T32 T35 L39 A40T32-S37 PolarHBondContact O-N 3.32Å; T35-S37 PolarHBondContact O-N 3.36Å; T35-S37 PolarHBondContact OG1-OG 3.31Å; S37-L39 PolarHBondContact O-N 2.93Å; S37-A40 WeakPolarHBondContact O-CB 3.28Å; S37-A40 PolarHBondContact O-N 3.37Å; S37-A40 WeakPolarHBondContact OG-CB 3.44Å
38L74.3Confident84.5Confident158 Ų15883.7 Ų83.783%0.82746%0.458SS*.G310 helixtrans-59.2-31.7-179.2-69171.3000113.1H36 A40 N41H36-L38 PolarHBondContact O-N 2.75Å; L38-A40 VanDerWaalsContact C-N 3.34Å; L38-N41 WeakPolarHBondContact O-CB 3.44Å; L38-N41 PolarHBondContact O-N 2.92Å
39L77.9Confident84.7Confident149 Ų14986.4 Ų86.478%0.7847%0.471SS*.G310 helixtrans-68-31.4175.3-81.8159.9000112.8S37 N41 I42S37-L39 PolarHBondContact O-N 2.93Å; L39-N41 PolarHBondContact O-N 2.93Å; L39-I42 PolarHBondContact O-N 3.43Å
40A80Confident84.9Confident29 Ų2991.9 Ų91.924%0.2449%0.492CS..G310 helixtrans-72.9-14.3-179.500000112.5T32 S37 L38 I42 V43 P44T32-A40 HydrophobicContact CG2-CB 3.76Å; T32-A40 WeakPolarHBondContact CG2-O 3.41Å; S37-A40 WeakPolarHBondContact O-CB 3.28Å; S37-A40 PolarHBondContact O-N 3.37Å; S37-A40 WeakPolarHBondContact OG-CB 3.44Å; L38-A40 VanDerWaalsContact C-N 3.34Å; A40-I42 PolarHBondContact O-N 3.24Å; A40-V43 WeakPolarHBondContact O-CB 3.46Å; A40-V43 PolarHBondContact O-N 3.34Å; A40-V43 VanDerWaalsContact O-N 3.09Å; A40-P44 WeakPolarHBondContact O-CD 3.44Å
41N79.6Confident84.9Confident68 Ų6888.1 Ų88.136%0.36448%0.475SS..G310 helixtrans-66.4-15.8176.2-118.920.7000113.7T32 L38 L39 V43 P44 I45T32-N41 PolarHBondContact OG1-OD1 3.48Å; L38-N41 WeakPolarHBondContact O-CB 3.44Å; L38-N41 PolarHBondContact O-N 2.92Å; L39-N41 PolarHBondContact O-N 2.93Å; N41-V43 VanDerWaalsContact C-N 3.28Å; N41-P44 WeakPolarHBondContact O-CD 3.46Å; N41-P44 WeakPolarHBondContact O-CG 3.35Å; N41-I45 WeakPolarHBondContact O-CD1 3.12Å; N41-I45 WeakPolarHBondContact O-CG1 3.41Å
42I86.3Confident85Confident110 Ų11085.7 Ų85.756%0.56447%0.472SS*.Hα-helixtrans-67.4-32.8172.5-61.6172.2000110.8L39 A40 I45 A46L39-I42 PolarHBondContact O-N 3.43Å; A40-I42 PolarHBondContact O-N 3.24Å; I42-I45 PolarHBondContact O-N 3.39Å; I42-A46 WeakPolarHBondContact O-CB 3.39Å; I42-A46 PolarHBondContact O-N 3.11Å
43V86.8Confident85.2Confident90 Ų9088.1 Ų88.155%0.54549%0.489SS..Hα-helixtrans-62-53.3-177.7-178.90000112.9A40 N41 I45 A46 M47A40-V43 WeakPolarHBondContact O-CB 3.46Å; A40-V43 PolarHBondContact O-N 3.34Å; A40-V43 VanDerWaalsContact O-N 3.09Å; N41-V43 VanDerWaalsContact C-N 3.28Å; V43-I45 VanDerWaalsContact C-N 3.27Å; V43-I45 PolarHBondContact O-N 3.31Å; V43-A46 PolarHBondContact O-N 3.44Å; V43-M47 HydrophobicContact CG1-CG 4.45Å; V43-M47 WeakPolarHBondContact O-CB 3.45Å; V43-M47 VanDerWaalsContact O-CG 3.28Å; V43-M47 WeakPolarHBondContact O-CG 3.47Å; V43-M47 PolarHBondContact O-N 3.08Å
44P87.6Confident85.4Confident2 Ų289.3 Ų89.31%0.01349%0.492CS..Hα-helixtrans-64-31178.523-32.2000112.7F25 A28 T29 T32 A40 N41 L48F25-P44 HydrophobicContact CD2-CB 3.85Å; F25-P44 WeakPolarHBondContact CD2-O 3.46Å; F25-P44 HydrophobicContact CE2-CB 3.76Å; F25-P44 WeakPolarHBondContact CE2-O 3.43Å; A28-P44 HydrophobicContact CB-CB 4.24Å; T29-P44 HydrophobicContact CG2-CB 3.75Å; T29-P44 HydrophobicContact CG2-CG 4.01Å; T32-P44 HydrophobicContact CG2-CG 4.42Å; A40-P44 WeakPolarHBondContact O-CD 3.44Å; N41-P44 WeakPolarHBondContact O-CD 3.46Å; N41-P44 WeakPolarHBondContact O-CG 3.35Å; P44-L48 WeakPolarHBondContact O-CB 3.32Å; P44-L48 PolarHBondContact O-N 3.29Å
45I89.2Confident85.5Confident107 Ų10784.6 Ų84.655%0.54947%0.47SS..Hα-helixtrans-68.6-48.2175.6-61167.9000110.5N41 I42 V43 M47 L48 V49N41-I45 WeakPolarHBondContact O-CD1 3.12Å; N41-I45 WeakPolarHBondContact O-CG1 3.41Å; I42-I45 PolarHBondContact O-N 3.39Å; V43-I45 VanDerWaalsContact C-N 3.27Å; V43-I45 PolarHBondContact O-N 3.31Å; I45-M47 VanDerWaalsContact C-N 3.32Å; I45-M47 PolarHBondContact O-N 2.99Å; I45-L48 PolarHBondContact O-N 2.96Å; I45-L48 VanDerWaalsContact O-N 3.16Å; I45-V49 WeakPolarHBondContact O-CG2 3.37Å; I45-V49 PolarHBondContact O-N 3.47Å; I45-V49 VanDerWaalsContact O-N 3.09Å
46A91.1Very high85.9Confident41 Ų4183 Ų8334%0.33947%0.466SS..Hα-helixtrans-60-43.3176.800000111.5I42 V43 L48 V49 F50I42-A46 WeakPolarHBondContact O-CB 3.39Å; I42-A46 PolarHBondContact O-N 3.11Å; V43-A46 PolarHBondContact O-N 3.44Å; A46-L48 VanDerWaalsContact C-N 3.31Å; A46-L48 PolarHBondContact O-N 3.17Å; A46-V49 PolarHBondContact O-N 3.39Å; A46-F50 VanDerWaalsContact O-CD2 3.23Å; A46-F50 WeakPolarHBondContact O-CD2 3.47Å; A46-F50 PolarHBondContact O-N 3.03Å; A46-F50 VanDerWaalsContact O-N 3.11Å
47M89.8Confident86.4Confident96 Ų9679.2 Ų79.247%0.47346%0.455SS..Hα-helixtrans-56.7-42.6174.1-75.7-72-68.900112.3V43 I45 F50 A51V43-M47 HydrophobicContact CG1-CG 4.45Å; V43-M47 WeakPolarHBondContact O-CB 3.45Å; V43-M47 VanDerWaalsContact O-CG 3.28Å; V43-M47 WeakPolarHBondContact O-CG 3.47Å; V43-M47 PolarHBondContact O-N 3.08Å; I45-M47 VanDerWaalsContact C-N 3.32Å; I45-M47 PolarHBondContact O-N 2.99Å; M47-F50 PolarHBondContact O-N 3.34Å; M47-A51 WeakPolarHBondContact O-CB 3.14Å; M47-A51 PolarHBondContact O-N 3.09Å
48L90.1Very high87Confident90 Ų9078 Ų7847%0.47145%0.449SS..Hα-helixtrans-66.8-38179.7-164.4152.2000111.9F25 P44 I45 A46 A51 A52F25-L48 HydrophobicContact CD1-CD1 4.49Å; F25-L48 HydrophobicContact CD2-CB 4.26Å; F25-L48 HydrophobicContact CD2-CD1 3.81Å; F25-L48 HydrophobicContact CE1-CD1 4.39Å; F25-L48 HydrophobicContact CE2-CB 4.39Å; F25-L48 HydrophobicContact CE2-CD1 3.68Å; F25-L48 HydrophobicContact CG-CD1 4.22Å; F25-L48 HydrophobicContact CZ-CD1 3.99Å; P44-L48 WeakPolarHBondContact O-CB 3.32Å; P44-L48 PolarHBondContact O-N 3.29Å; I45-L48 PolarHBondContact O-N 2.96Å; I45-L48 VanDerWaalsContact O-N 3.16Å; A46-L48 VanDerWaalsContact C-N 3.31Å; A46-L48 PolarHBondContact O-N 3.17Å; L48-A51 WeakPolarHBondContact O-CB 3.43Å; L48-A51 PolarHBondContact O-N 3.16Å; L48-A52 PolarHBondContact O-N 3.09Å
49V93.4Very high87.5Confident84 Ų8474.2 Ų74.251%0.50943%0.429SS..Hα-helixtrans-63.2-48.1175.6176.60000110.8I45 A46 A51 A52 C53I45-V49 WeakPolarHBondContact O-CG2 3.37Å; I45-V49 PolarHBondContact O-N 3.47Å; I45-V49 VanDerWaalsContact O-N 3.09Å; A46-V49 PolarHBondContact O-N 3.39Å; V49-A51 VanDerWaalsContact C-N 3.31Å; V49-A51 PolarHBondContact O-N 3.06Å; V49-A52 PolarHBondContact O-N 3.16Å; V49-C53 PolarHBondContact O-N 3.21Å; V49-C53 VanDerWaalsContact O-N 3.08Å; V49-C53 PolarHBondContact O-SG 3.41Å
50F90.1Very high88Confident145 Ų14570 Ų7064%0.63642%0.417SS*.Hα-helixtrans-62.2-39.2176.7-77.4-68.7000112.3A46 M47 A52 C53 E54A46-F50 VanDerWaalsContact O-CD2 3.23Å; A46-F50 WeakPolarHBondContact O-CD2 3.47Å; A46-F50 PolarHBondContact O-N 3.03Å; A46-F50 VanDerWaalsContact O-N 3.11Å; M47-F50 PolarHBondContact O-N 3.34Å; F50-A52 VanDerWaalsContact C-N 3.34Å; F50-A52 PolarHBondContact O-N 3.31Å; F50-C53 WeakPolarHBondContact O-CB 3.3Å; F50-C53 PolarHBondContact O-N 3.47Å; F50-E54 PolarHBondContact O-N 3.17Å
51A89.7Confident88.2Confident18 Ų1873.5 Ų73.515%0.14943%0.43CS..Hα-helixtrans-58.2-45175.100000112.4M21 M47 L48 V49 C53 E54 A55M21-A51 HydrophobicContact CB-CB 4.11Å; M21-A51 HydrophobicContact CE-CB 3.3Å; M21-A51 HydrophobicContact CG-CB 4.11Å; M47-A51 WeakPolarHBondContact O-CB 3.14Å; M47-A51 PolarHBondContact O-N 3.09Å; L48-A51 WeakPolarHBondContact O-CB 3.43Å; L48-A51 PolarHBondContact O-N 3.16Å; V49-A51 VanDerWaalsContact C-N 3.31Å; V49-A51 PolarHBondContact O-N 3.06Å; A51-C53 VanDerWaalsContact C-N 3.32Å; A51-C53 PolarHBondContact O-N 3.09Å; A51-E54 PolarHBondContact O-N 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.44Å; A51-A55 PolarHBondContact O-N 2.98Å
52A89.6Confident88.4Confident57 Ų5770.8 Ų70.847%0.47142%0.416SS..Hα-helixtrans-65.1-36.7177.800000111.9L48 V49 F50 A55 A56L48-A52 PolarHBondContact O-N 3.09Å; V49-A52 PolarHBondContact O-N 3.16Å; F50-A52 VanDerWaalsContact C-N 3.34Å; F50-A52 PolarHBondContact O-N 3.31Å; A52-A55 PolarHBondContact O-N 2.9Å; A52-A56 WeakPolarHBondContact O-CB 3.4Å; A52-A56 PolarHBondContact O-N 3.39Å
53C90.2Very high88.3Confident68 Ų6869.2 Ų69.246%0.45941%0.411SS..Hα-helixtrans-64-45.4174.6-64.70000112.1V49 F50 A51 A56 V57V49-C53 PolarHBondContact O-N 3.21Å; V49-C53 VanDerWaalsContact O-N 3.08Å; V49-C53 PolarHBondContact O-SG 3.41Å; F50-C53 WeakPolarHBondContact O-CB 3.3Å; F50-C53 PolarHBondContact O-N 3.47Å; A51-C53 VanDerWaalsContact C-N 3.32Å; A51-C53 PolarHBondContact O-N 3.09Å; C53-A56 PolarHBondContact O-N 3.21Å; C53-V57 WeakPolarHBondContact O-CG2 3.41Å; C53-V57 PolarHBondContact O-N 3.37Å
54E87.7Confident88.1Confident135 Ų13567.5 Ų67.563%0.63140%0.403SS*.Hα-helixtrans-62.7-42.3176.5-70.8-173.9168.600111.9F50 A51 A56 V57 G58F50-E54 PolarHBondContact O-N 3.17Å; A51-E54 PolarHBondContact O-N 3.3Å; E54-A56 PolarHBondContact O-N 3.41Å; E54-V57 PolarHBondContact O-N 3Å; E54-G58 PolarHBondContact O-N 3.27Å
55A88Confident87.6Confident22 Ų2268.7 Ų68.718%0.18241%0.409CS..Hα-helixtrans-62.1-42.5175.900000112A51 A52 V57 G58 L59A51-A55 WeakPolarHBondContact O-CB 3.44Å; A51-A55 PolarHBondContact O-N 2.98Å; A52-A55 PolarHBondContact O-N 2.9Å; A55-V57 PolarHBondContact O-N 3.03Å; A55-G58 PolarHBondContact O-N 3.46Å; A55-L59 WeakPolarHBondContact O-CB 3.5Å; A55-L59 WeakPolarHBondContact O-CG 3.42Å; A55-L59 PolarHBondContact O-N 3.2Å
56A89.5Confident87.1Confident59 Ų5965.2 Ų65.249%0.48839%0.394SS..Hα-helixtrans-62.1-43.5176.800000112.2A52 C53 E54 L59 A60A52-A56 WeakPolarHBondContact O-CB 3.4Å; A52-A56 PolarHBondContact O-N 3.39Å; C53-A56 PolarHBondContact O-N 3.21Å; E54-A56 PolarHBondContact O-N 3.41Å; A56-L59 PolarHBondContact O-N 3.06Å; A56-A60 WeakPolarHBondContact O-CB 3.34Å; A56-A60 PolarHBondContact O-N 2.97Å
57V88.7Confident86.5Confident93 Ų9369.4 Ų69.456%0.56441%0.411SS*.Hα-helixtrans-65.8-41.5175.3175.60000111C53 E54 A55 L59 A60 L61C53-V57 WeakPolarHBondContact O-CG2 3.41Å; C53-V57 PolarHBondContact O-N 3.37Å; E54-V57 PolarHBondContact O-N 3Å; A55-V57 PolarHBondContact O-N 3.03Å; V57-L59 PolarHBondContact O-N 3.37Å; V57-A60 PolarHBondContact O-N 3.47Å; V57-L61 HydrophobicContact CG1-CD1 4.38Å; V57-L61 WeakPolarHBondContact O-CG 3.4Å; V57-L61 PolarHBondContact O-N 3.08Å
58G87.3Confident85.9Confident18 Ų1869.6 Ų69.619%0.18642%0.418CS..Hα-helixtrans-60.8-42.3176.400000113.1E54 A55 L61 L62E54-G58 PolarHBondContact O-N 3.27Å; A55-G58 PolarHBondContact O-N 3.46Å; G58-L61 PolarHBondContact O-N 3.39Å; G58-L62 PolarHBondContact O-N 2.7Å
59L85.8Confident84.9Confident77 Ų7768.8 Ų68.840%0.40341%0.409SS..Hα-helixtrans-66.4-42.2174.2-75.9161.9000112L14 A55 A56 V57 L61 L62 V63L14-L59 HydrophobicContact CD1-CD2 4.05Å; L14-L59 HydrophobicContact CD1-CG 4.34Å; A55-L59 WeakPolarHBondContact O-CB 3.5Å; A55-L59 WeakPolarHBondContact O-CG 3.42Å; A55-L59 PolarHBondContact O-N 3.2Å; A56-L59 PolarHBondContact O-N 3.06Å; V57-L59 PolarHBondContact O-N 3.37Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 3.03Å; L59-L62 WeakPolarHBondContact O-CB 3.48Å; L59-L62 PolarHBondContact O-N 2.86Å; L59-L62 VanDerWaalsContact O-N 3.16Å; L59-V63 WeakPolarHBondContact O-CG2 3.43Å; L59-V63 PolarHBondContact O-N 3.12Å
60A88Confident83.6Confident62 Ų6267.7 Ų67.751%0.51241%0.414SS..Hα-helixtrans-60.5-41.1176.300000111.9A56 V57 V63 S64A56-A60 WeakPolarHBondContact O-CB 3.34Å; A56-A60 PolarHBondContact O-N 2.97Å; V57-A60 PolarHBondContact O-N 3.47Å; A60-V63 PolarHBondContact O-N 3.29Å; A60-S64 PolarHBondContact O-N 3.42Å
61L84.2Confident82.2Confident101 Ų10165.6 Ų65.653%0.52941%0.409SS..Hα-helixtrans-63.4-43.1173.3-75171.6000111.8V57 G58 L59 V63 S64 I65V57-L61 HydrophobicContact CG1-CD1 4.38Å; V57-L61 WeakPolarHBondContact O-CG 3.4Å; V57-L61 PolarHBondContact O-N 3.08Å; G58-L61 PolarHBondContact O-N 3.39Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 3.03Å; L61-V63 VanDerWaalsContact C-N 3.32Å; L61-V63 PolarHBondContact O-N 2.92Å; L61-S64 PolarHBondContact O-N 3.44Å; L61-S64 VanDerWaalsContact O-N 3.09Å; L61-S64 PolarHBondContact O-OG 3.37Å; L61-I65 WeakPolarHBondContact O-CG1 3.48Å; L61-I65 PolarHBondContact O-N 2.96Å
62L83.2Confident80.9Confident11 Ų1167.2 Ų67.26%0.05842%0.416CS..Hα-helixtrans-59.4-44.4177.1-165.5158.4000111.4L10 M11 L14 G58 L59 S64 I65 S66L10-L62 HydrophobicContact CB-CD1 3.92Å; L10-L62 HydrophobicContact CB-CG 4.37Å; L10-L62 HydrophobicContact CD2-CB 4.27Å; L10-L62 HydrophobicContact CD2-CD1 3.73Å; L10-L62 HydrophobicContact CD2-CG 4.14Å; L10-L62 HydrophobicContact CG-CD1 4.42Å; M11-L62 HydrophobicContact CB-CD1 4.49Å; M11-L62 HydrophobicContact CG-CD1 3.75Å; M11-L62 HydrophobicContact CG-CD2 4.45Å; M11-L62 HydrophobicContact SD-CD1 3.32Å; M11-L62 WeakPolarHBondContact SD-CD1 3.19Å; M11-L62 HydrophobicContact SD-CD2 4.01Å; M11-L62 HydrophobicContact SD-CG 4.34Å; L14-L62 HydrophobicContact CD1-CB 4.37Å; L14-L62 HydrophobicContact CD1-CD1 3.46Å; L14-L62 VanDerWaalsContact CD1-CD1 3.46Å; G58-L62 PolarHBondContact O-N 2.7Å; L59-L62 WeakPolarHBondContact O-CB 3.48Å; L59-L62 PolarHBondContact O-N 2.86Å; L59-L62 VanDerWaalsContact O-N 3.16Å; L62-S64 VanDerWaalsContact C-N 3.3Å; L62-S64 PolarHBondContact O-N 3.47Å; L62-I65 PolarHBondContact O-N 3.44Å; L62-S66 PolarHBondContact O-N 3.21Å; L62-S66 PolarHBondContact O-OG 3.2Å
63V84.2Confident79.5Confident78 Ų7869.2 Ų69.247%0.47341%0.412SS..Hα-helixtrans-61.4-37.8175174.40000111.7L59 A60 L61 S66 N67L59-V63 WeakPolarHBondContact O-CG2 3.43Å; L59-V63 PolarHBondContact O-N 3.12Å; A60-V63 PolarHBondContact O-N 3.29Å; L61-V63 VanDerWaalsContact C-N 3.32Å; L61-V63 PolarHBondContact O-N 2.92Å; V63-S66 WeakPolarHBondContact CA-OG 3.41Å; V63-S66 PolarHBondContact O-OG 3.44Å; V63-N67 WeakPolarHBondContact O-CB 3.47Å; V63-N67 VanDerWaalsContact O-CG 3.25Å; V63-N67 PolarHBondContact O-N 3.07Å; V63-N67 PolarHBondContact O-ND2 3.4Å; V63-N67 VanDerWaalsContact O-ND2 3.08Å
64S82.1Confident78Confident53 Ų5368.5 Ų68.537%0.37141%0.405SS..Hα-helixtrans-65.7-41175.774.70000112.3A60 L61 L62 N67 T68A60-S64 PolarHBondContact O-N 3.42Å; L61-S64 PolarHBondContact O-N 3.44Å; L61-S64 VanDerWaalsContact O-N 3.09Å; L61-S64 PolarHBondContact O-OG 3.37Å; L62-S64 VanDerWaalsContact C-N 3.3Å; L62-S64 PolarHBondContact O-N 3.47Å; S64-N67 PolarHBondContact O-N 3.33Å; S64-T68 WeakPolarHBondContact O-CG2 3.32Å; S64-T68 PolarHBondContact O-N 2.93Å; S64-T68 PolarHBondContact O-OG1 2.98Å
65I77.3Confident76.6Confident28 Ų2869.6 Ų69.614%0.14441%0.41CS..Hα-helixtrans-67.9-42178.7-66164.7000110.6L10 L61 L62 N67 T68 Y69 L77L10-I65 HydrophobicContact CD1-CD1 4Å; L61-I65 WeakPolarHBondContact O-CG1 3.48Å; L61-I65 PolarHBondContact O-N 2.96Å; L62-I65 PolarHBondContact O-N 3.44Å; I65-N67 VanDerWaalsContact C-N 3.32Å; I65-N67 PolarHBondContact O-N 3Å; I65-T68 PolarHBondContact O-N 3.48Å; I65-T68 PolarHBondContact O-OG1 2.91Å; I65-T68 VanDerWaalsContact O-OG1 3.13Å; I65-Y69 HydrophobicContact CG2-CD2 4.04Å; I65-Y69 PolarHBondContact O-N 2.94Å; I65-L77 HydrophobicContact CD1-CD1 4.41Å
66S78.5Confident75.1Confident33 Ų3372.2 Ų72.223%0.23142%0.421CS..Hα-helixtrans-66.1-35.9177.7710000111.6L62 V63 G70 D72L62-S66 PolarHBondContact O-N 3.21Å; L62-S66 PolarHBondContact O-OG 3.2Å; V63-S66 WeakPolarHBondContact CA-OG 3.41Å; V63-S66 PolarHBondContact O-OG 3.44Å; S66-G70 WeakPolarHBondContact O-CA 3.42Å; S66-G70 PolarHBondContact O-N 3.01Å; S66-D72 VanDerWaalsContact CB-OD1 3.3Å; S66-D72 WeakPolarHBondContact CB-OD1 3.32Å
67N80.3Confident73.6Confident129 Ų12972.4 Ų72.469%0.6941%0.413SS*.Hα-helixtrans-68.5-35.3173.5-76-33000113.4V63 S64 I65V63-N67 WeakPolarHBondContact O-CB 3.47Å; V63-N67 VanDerWaalsContact O-CG 3.25Å; V63-N67 PolarHBondContact O-N 3.07Å; V63-N67 PolarHBondContact O-ND2 3.4Å; V63-N67 VanDerWaalsContact O-ND2 3.08Å; S64-N67 PolarHBondContact O-N 3.33Å; I65-N67 VanDerWaalsContact C-N 3.32Å; I65-N67 PolarHBondContact O-N 3Å
68T75.9Confident72.2Confident100 Ų10072.4 Ų72.461%0.61341%0.41SS*.Hα-helixtrans-83.2-34.4-179.254.10000113.6S64 I65S64-T68 WeakPolarHBondContact O-CG2 3.32Å; S64-T68 PolarHBondContact O-N 2.93Å; S64-T68 PolarHBondContact O-OG1 2.98Å; I65-T68 PolarHBondContact O-N 3.48Å; I65-T68 PolarHBondContact O-OG1 2.91Å; I65-T68 VanDerWaalsContact O-OG1 3.13Å
69Y70.3Confident70.9Confident73 Ų7377.5 Ų77.529%0.28643%0.432SS..Hα-helixtrans-112.4-4.9-173.4-65.7-75.1000114.1I65 L71 N76 L77 L79I65-Y69 HydrophobicContact CG2-CD2 4.04Å; I65-Y69 PolarHBondContact O-N 2.94Å; Y69-L71 PolarHBondContact O-N 2.9Å; Y69-N76 HydrophobicContact CD1-CB 3.73Å; Y69-N76 HydrophobicContact CE1-CB 4.25Å; Y69-N76 HydrophobicContact CG-CB 3.93Å; Y69-L77 HydrophobicContact CE2-CD2 3.87Å; Y69-L79 HydrophobicContact CE1-CD1 4.09Å; Y69-L79 WeakPolarHBondContact OH-CD1 3.47Å
70G65.1Low69.7Low61 Ų6181.1 Ų81.163%0.62945%0.452SS*.SBendtrans68.9-8.9178.500000115.3S66S66-G70 WeakPolarHBondContact O-CA 3.42Å; S66-G70 PolarHBondContact O-N 3.01Å
71L61.7Low68.2Low101 Ų10185.4 Ų85.453%0.52946%0.461SS..SBendtrans-144.9138.2-175.7-65168.8000110.1Y69 Y73Y69-L71 PolarHBondContact O-N 2.9Å; L71-Y73 HydrophobicContact CB-CD2 3.67Å; L71-Y73 HydrophobicContact CB-CE2 4.21Å; L71-Y73 HydrophobicContact CD1-CD2 4.1Å; L71-Y73 HydrophobicContact CD1-CE2 4.23Å; L71-Y73 HydrophobicContact CD2-CE2 4.45Å; L71-Y73 HydrophobicContact CG-CD2 4.38Å; L71-Y73 PolarHBondContact O-N 3.5Å
72D61.1Low66.9Low53 Ų5389 Ų8928%0.28349%0.493SS..  trans-7222.8-177-60.2-30.2000114.8S66S66-D72 VanDerWaalsContact CB-OD1 3.3Å; S66-D72 WeakPolarHBondContact CB-OD1 3.32Å
73Y61.2Low66Low99 Ų9993 Ų9339%0.38852%0.515SS..BIsolated β-bridgetrans-84.7119.4-175.6-70.7-62.3000111.7S8 H9 L71 H75 N76S8-Y73 WeakPolarHBondContact O-CA 3.44Å; S8-Y73 WeakPolarHBondContact O-CD1 3.42Å; H9-Y73 AromaticContact CE1-CE1 3.87Å; L71-Y73 HydrophobicContact CB-CD2 3.67Å; L71-Y73 HydrophobicContact CB-CE2 4.21Å; L71-Y73 HydrophobicContact CD1-CD2 4.1Å; L71-Y73 HydrophobicContact CD1-CE2 4.23Å; L71-Y73 HydrophobicContact CD2-CE2 4.45Å; L71-Y73 HydrophobicContact CG-CD2 4.38Å; L71-Y73 PolarHBondContact O-N 3.5Å; Y73-H75 PolarHBondContact O-N 3.48Å; Y73-H75 VanDerWaalsContact O-N 3.08Å; Y73-N76 PolarHBondContact O-N 3.02Å
74V58.9Low65.1Low53 Ų5393.7 Ų93.732%0.32152%0.517SS..G310 helixtrans-57.1-24.8173.9-171.60000112L10 N76 L77L10-V74 HydrophobicContact CB-CG2 4.38Å; L10-V74 HydrophobicContact CD1-CG2 4.22Å; L10-V74 HydrophobicContact CG-CG2 4.44Å; V74-N76 VanDerWaalsContact C-N 3.27Å; V74-N76 PolarHBondContact O-N 3.35Å; V74-L77 PolarHBondContact O-N 3.38Å
75H56.5Low64.1Low158 Ų15896 Ų9673%0.73153%0.525SS*.G310 helixtrans-69.2-19.4-177.4-155.98.5000114.3Y73 L77Y73-H75 PolarHBondContact O-N 3.48Å; Y73-H75 VanDerWaalsContact O-N 3.08Å; H75-L77 VanDerWaalsContact C-N 3.27Å; H75-L77 PolarHBondContact O-N 3.01Å
76N56.7Low63.4Low77 Ų77100 Ų10041%0.41255%0.547SS..G310 helixtrans-76.4-10.3177.9-98.527.3000113.9Y69 Y73 V74 N78Y69-N76 HydrophobicContact CD1-CB 3.73Å; Y69-N76 HydrophobicContact CE1-CB 4.25Å; Y69-N76 HydrophobicContact CG-CB 3.93Å; Y73-N76 PolarHBondContact O-N 3.02Å; V74-N76 VanDerWaalsContact C-N 3.27Å; V74-N76 PolarHBondContact O-N 3.35Å; N76-N78 PolarHBondContact O-N 2.98Å; N76-N78 VanDerWaalsContact O-N 3.12Å
77L59.1Low62.4Low62 Ų62104.2 Ų104.233%0.32557%0.567SS.*G310 helixtrans-80.221.5-179.5-66.2167.8000113.7I65 Y69 V74 H75 L79I65-L77 HydrophobicContact CD1-CD1 4.41Å; Y69-L77 HydrophobicContact CE2-CD2 3.87Å; V74-L77 PolarHBondContact O-N 3.38Å; H75-L77 VanDerWaalsContact C-N 3.27Å; H75-L77 PolarHBondContact O-N 3.01Å; L77-L79 PolarHBondContact O-N 3.36Å
78N59.9Low61.2Low94 Ų94102.5 Ų102.550%0.50356%0.559SS.*G310 helixtrans-79.74.4-175.4-134.133.6000114.7N76 L80 Q81N76-N78 PolarHBondContact O-N 2.98Å; N76-N78 VanDerWaalsContact O-N 3.12Å; N78-L80 VanDerWaalsContact C-N 3.28Å; N78-L80 PolarHBondContact O-N 3.46Å; N78-Q81 PolarHBondContact ND2-OE1 3.21Å; N78-Q81 PolarHBondContact O-N 3.23Å; N78-Q81 PolarHBondContact OD1-OE1 2.99Å; N78-Q81 VanDerWaalsContact OD1-OE1 3.14Å
79L58.8Low60.2Low124 Ų124102.7 Ų102.765%0.64956%0.555SS**G310 helixtrans-71-19.6177.4-82.7157.3000113.7Y69 L77 Q81Y69-L79 HydrophobicContact CE1-CD1 4.09Å; Y69-L79 WeakPolarHBondContact OH-CD1 3.47Å; L77-L79 PolarHBondContact O-N 3.36Å; L79-Q81 VanDerWaalsContact C-N 3.31Å
80L59.9Low59.4Low154 Ų154105 Ų10581%0.80658%0.576SS**G310 helixtrans-87.12.3177.8-78.6153.1000113.4N78N78-L80 VanDerWaalsContact C-N 3.28Å; N78-L80 PolarHBondContact O-N 3.46Å
81Q57.8Low58.9Low152 Ų152108.7 Ų108.771%0.7157%0.571SS**G310 helixtrans-85.75.9175.5-152.1-173.4-28.100112.8N78 L79N78-Q81 PolarHBondContact ND2-OE1 3.21Å; N78-Q81 PolarHBondContact O-N 3.23Å; N78-Q81 PolarHBondContact OD1-OE1 2.99Å; N78-Q81 VanDerWaalsContact OD1-OE1 3.14Å; L79-Q81 VanDerWaalsContact C-N 3.31Å
82C55.6Low58.7Low177 Ų177109.4 Ų109.4100%1.19658%0.575SS**  trans-85.60168.2-67.70000110.5

Retrieved 82 of 82 residues in 54.7 ms (Link to these results)