A0A059RWX8_HUMAN Loading...

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 A0A059RWX8, Species HUMAN (Homo sapiens, Human), Gene ND4L, Length 88 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
1A76.6Confident84.1Confident90 Ų9077.5 Ų77.574%0.74445%0.454SS*.  0-52.6000000111.7T3 I4 S5A1-T3 PolarHBondContact O-N 3.09Å; A1-I4 PolarHBondContact O-N 3.35Å; A1-S5 PolarHBondContact O-N 3.38Å; A1-S5 PolarHBondContact O-OG 3.15Å
2F86.3Confident82.3Confident82 Ų8285.6 Ų85.636%0.3647%0.473SS..Hα-helixtrans-55-49.8178.6-172.9-99.9000113.9I4 S5 L6 M26 S29 L30F2-I4 VanDerWaalsContact C-N 3.33Å; F2-I4 PolarHBondContact O-N 3.27Å; F2-S5 WeakPolarHBondContact CA-OG 3.34Å; F2-S5 PolarHBondContact O-N 3.28Å; F2-S5 PolarHBondContact O-OG 3.02Å; F2-L6 HydrophobicContact CE1-CD1 4.15Å; F2-L6 HydrophobicContact CZ-CD1 4.27Å; F2-L6 VanDerWaalsContact O-CB 3.31Å; F2-L6 WeakPolarHBondContact O-CB 3.48Å; F2-L6 PolarHBondContact O-N 3.11Å; F2-M26 HydrophobicContact CD2-CB 4.18Å; F2-M26 HydrophobicContact CD2-CG 4.29Å; F2-M26 HydrophobicContact CE2-CB 4.07Å; F2-M26 HydrophobicContact CE2-CG 4.25Å; F2-M26 HydrophobicContact CE2-SD 4.42Å; F2-S29 WeakPolarHBondContact CB-OG 3.4Å; F2-L30 HydrophobicContact CD2-CD1 4.45Å; F2-L30 HydrophobicContact CD2-CD2 4.38Å; F2-L30 HydrophobicContact CD2-CG 4.04Å; F2-L30 HydrophobicContact CE2-CD1 3.86Å; F2-L30 HydrophobicContact CE2-CD2 4.24Å; F2-L30 HydrophobicContact CE2-CG 3.92Å
3T86.5Confident80.8Confident93 Ų9393.4 Ų93.457%0.57149%0.491SS*.Hα-helixtrans-63.8-34.9179.751.60000113.6A1 L7A1-T3 PolarHBondContact O-N 3.09Å; T3-L7 WeakPolarHBondContact O-CB 3.36Å; T3-L7 VanDerWaalsContact O-CG 3.24Å; T3-L7 WeakPolarHBondContact O-CG 3.38Å; T3-L7 PolarHBondContact O-N 3.29Å
4I86.6Confident79.5Confident122 Ų12291.1 Ų91.163%0.62649%0.487SS*.Hα-helixtrans-71.3-41.9179.1-60167.9000110.5A1 F2 L7 G8A1-I4 PolarHBondContact O-N 3.35Å; F2-I4 VanDerWaalsContact C-N 3.33Å; F2-I4 PolarHBondContact O-N 3.27Å; I4-L7 PolarHBondContact O-N 2.65Å; I4-G8 PolarHBondContact O-N 3.42Å
5S86.1Confident79.2Confident16 Ų1690.3 Ų90.311%0.11248%0.479CS..Hα-helixtrans-70.6-35.7176.545.60000112.1A1 F2 G8 M9 M26A1-S5 PolarHBondContact O-N 3.38Å; A1-S5 PolarHBondContact O-OG 3.15Å; F2-S5 WeakPolarHBondContact CA-OG 3.34Å; F2-S5 PolarHBondContact O-N 3.28Å; F2-S5 PolarHBondContact O-OG 3.02Å; S5-G8 PolarHBondContact O-N 3.07Å; S5-M9 PolarHBondContact O-N 3.1Å; S5-M26 WeakPolarHBondContact OG-CG 3.45Å
6L86.1Confident78.9Confident65 Ų6586.8 Ų86.834%0.3446%0.46SS..Hα-helixtrans-61.8-47.4171.2-171.9112.3000111.7F2 G8 M9 L10 M26F2-L6 HydrophobicContact CE1-CD1 4.15Å; F2-L6 HydrophobicContact CZ-CD1 4.27Å; F2-L6 VanDerWaalsContact O-CB 3.31Å; F2-L6 WeakPolarHBondContact O-CB 3.48Å; F2-L6 PolarHBondContact O-N 3.11Å; L6-G8 VanDerWaalsContact C-N 3.3Å; L6-G8 PolarHBondContact O-N 3.26Å; L6-M9 PolarHBondContact O-N 3.38Å; L6-L10 HydrophobicContact CD2-CD1 3.97Å; L6-L10 HydrophobicContact CG-CD1 4.33Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 2.88Å; L6-M26 HydrophobicContact CB-SD 4.07Å; L6-M26 HydrophobicContact CD1-SD 4.16Å
7L86.1Confident79Confident107 Ų10786.5 Ų86.556%0.5646%0.457SS*.Hα-helixtrans-61.6-39.4174.2-73.7168.8000111.6T3 I4 M9 L10 V11T3-L7 WeakPolarHBondContact O-CB 3.36Å; T3-L7 VanDerWaalsContact O-CG 3.24Å; T3-L7 WeakPolarHBondContact O-CG 3.38Å; T3-L7 PolarHBondContact O-N 3.29Å; I4-L7 PolarHBondContact O-N 2.65Å; L7-M9 VanDerWaalsContact C-N 3.31Å; L7-M9 PolarHBondContact O-N 3.03Å; L7-L10 PolarHBondContact O-N 2.96Å; L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.07Å
8G85.6Confident79.3Confident32 Ų3284.1 Ų84.133%0.3345%0.448SS..Hα-helixtrans-62.8-34.2175.600000113.8I4 S5 L6I4-G8 PolarHBondContact O-N 3.42Å; S5-G8 PolarHBondContact O-N 3.07Å; L6-G8 VanDerWaalsContact C-N 3.3Å; L6-G8 PolarHBondContact O-N 3.26Å
9M83.4Confident79.5Confident51 Ų5181.3 Ų81.325%0.25144%0.436SS..Hα-helixtrans-74.2-42.8175.1-178.9-87.1-73.300112.1S5 L6 L7 V11 C22 M26S5-M9 PolarHBondContact O-N 3.1Å; L6-M9 PolarHBondContact O-N 3.38Å; L7-M9 VanDerWaalsContact C-N 3.31Å; L7-M9 PolarHBondContact O-N 3.03Å; M9-V11 VanDerWaalsContact C-N 3.29Å; M9-V11 PolarHBondContact O-N 3.48Å; M9-C22 HydrophobicContact CB-CB 4.34Å; M9-M26 HydrophobicContact CB-CE 4.24Å; M9-M26 HydrophobicContact CE-CE 4.27Å; M9-M26 HydrophobicContact CG-CE 4.36Å
10L81.6Confident79.8Confident97 Ų9778.5 Ų78.551%0.50842%0.42SS..Hα-helixtrans-65.3-33.1178.5-71.6170.6000112.5L6 L7 Y12L6-L10 HydrophobicContact CD2-CD1 3.97Å; L6-L10 HydrophobicContact CG-CD1 4.33Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 2.88Å; L7-L10 PolarHBondContact O-N 2.96Å; L10-Y12 VanDerWaalsContact C-N 3.26Å; L10-Y12 WeakPolarHBondContact O-CD2 3.13Å; L10-Y12 PolarHBondContact O-N 3.21Å
11V80.1Confident80.1Confident97 Ų9780 Ų8059%0.58843%0.428SS*.SBendtrans-79.482.2170.1-178.60000107.8L7 M9 R13L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.07Å; M9-V11 VanDerWaalsContact C-N 3.29Å; M9-V11 PolarHBondContact O-N 3.48Å; V11-R13 PolarHBondContact O-N 3.4Å
12Y63.2Low80.6Confident175 Ų17577.4 Ų77.469%0.68640%0.404SS*.  trans-5495.9176-73.3-80.1000110.8L10L10-Y12 VanDerWaalsContact C-N 3.26Å; L10-Y12 WeakPolarHBondContact O-CD2 3.13Å; L10-Y12 PolarHBondContact O-N 3.21Å
13R62.6Low80.6Confident187 Ų18776.9 Ų76.971%0.70640%0.404SS*.  trans-72.5150.1165.4-77.2-84.8-163.21212.8108V11 H15V11-R13 PolarHBondContact O-N 3.4Å; R13-H15 PolarHBondContact O-N 3.02Å
14S62.3Low80.6Confident62 Ų6277.3 Ų77.343%0.43440%0.4SS..SBendtrans-51.3-24.5-177.853.80000115Y79 V80S14-Y79 WeakPolarHBondContact O-CA 3.45Å; S14-V80 PolarHBondContact O-N 2.99Å
15H75.3Confident80.7Confident79 Ų7973.1 Ų73.137%0.36639%0.386SS..BIsolated β-bridgetrans-103.6120.6-176.7-62.4-74.8000112.8R13 M17 S18 Y79R13-H15 PolarHBondContact O-N 3.02Å; H15-M17 PolarHBondContact O-N 3.05Å; H15-S18 PolarHBondContact O-N 3.4Å; H15-S18 VanDerWaalsContact O-N 3.09Å; H15-S18 PolarHBondContact O-OG 3Å; H15-Y79 AromaticContact CE1-CE1 3.47Å; H15-Y79 VanDerWaalsContact CE1-CE1 3.47Å; H15-Y79 WeakPolarHBondContact CE1-CE1 3.42Å; H15-Y79 AromaticContact CE1-CZ 3.83Å; H15-Y79 AromaticContact NE2-CE1 3.83Å
16L74.4Confident80.9Confident34 Ų3473 Ų7318%0.17839%0.385CS..Hα-helixtrans-61-32.5177.5-153.3139.8000112.3S18 S19 L20 L68 I71 V80L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 2.85Å; L16-S19 PolarHBondContact O-N 2.94Å; L16-S19 VanDerWaalsContact O-N 3.12Å; L16-S19 PolarHBondContact O-OG 3.15Å; L16-L20 HydrophobicContact CD2-CD1 4.12Å; L16-L20 HydrophobicContact CD2-CG 4.28Å; L16-L20 PolarHBondContact O-N 3.26Å; L16-L20 VanDerWaalsContact O-N 3.12Å; L16-L68 HydrophobicContact CB-CD1 4.13Å; L16-L68 HydrophobicContact CD2-CB 4.14Å; L16-L68 HydrophobicContact CD2-CD1 3.69Å; L16-L68 HydrophobicContact CD2-CG 4.06Å; L16-I71 HydrophobicContact CD1-CD1 4.04Å; L16-V80 HydrophobicContact CB-CG2 4.26Å; L16-V80 HydrophobicContact CD1-CG2 4.22Å
17M81.1Confident81.2Confident82 Ų8272.1 Ų72.140%0.40438%0.379SS..Hα-helixtrans-54.3-41.8172.7-73-61.2-6900113.4H15 S19 L20 L21 L65 L68H15-M17 PolarHBondContact O-N 3.05Å; M17-S19 VanDerWaalsContact C-N 3.31Å; M17-S19 PolarHBondContact O-N 3.34Å; M17-L20 PolarHBondContact O-N 3.04Å; M17-L21 PolarHBondContact O-N 3Å; M17-L21 VanDerWaalsContact O-N 3.13Å; M17-L65 HydrophobicContact SD-CD2 4.49Å; M17-L68 HydrophobicContact CB-CD1 4.48Å; M17-L68 HydrophobicContact CG-CD1 3.71Å; M17-L68 HydrophobicContact SD-CD1 3.24Å; M17-L68 WeakPolarHBondContact SD-CD1 3.41Å; M17-L68 HydrophobicContact SD-CD2 4.1Å; M17-L68 HydrophobicContact SD-CG 4.33Å
18S83.1Confident81.4Confident43 Ų4372.2 Ų72.230%0.30138%0.38SS..Hα-helixtrans-68-33.6-179.566.10000112.1H15 L16 L21 C22H15-S18 PolarHBondContact O-N 3.4Å; H15-S18 VanDerWaalsContact O-N 3.09Å; H15-S18 PolarHBondContact O-OG 3Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 2.85Å; S18-L21 PolarHBondContact O-N 3.25Å; S18-C22 PolarHBondContact O-N 2.86Å; S18-C22 VanDerWaalsContact O-N 3.11Å; S18-C22 PolarHBondContact O-SG 3.29Å; S18-C22 VanDerWaalsContact O-SG 3.34Å
19S83.8Confident81.7Confident31 Ų3171.7 Ų71.722%0.21737%0.371CS..Hα-helixtrans-68.9-38.1174.9730000112.5L16 M17 C22 L23L16-S19 PolarHBondContact O-N 2.94Å; L16-S19 VanDerWaalsContact O-N 3.12Å; L16-S19 PolarHBondContact O-OG 3.15Å; M17-S19 VanDerWaalsContact C-N 3.31Å; M17-S19 PolarHBondContact O-N 3.34Å; S19-C22 PolarHBondContact O-N 3.19Å; S19-L23 PolarHBondContact O-N 3.16Å
20L85.6Confident82Confident24 Ų2472 Ų7213%0.12637%0.373CS..Hα-helixtrans-63.1-43.6174.8-70.5170.8000111.5L16 M17 C22 L23 E24 L65 L68L16-L20 HydrophobicContact CD2-CD1 4.12Å; L16-L20 HydrophobicContact CD2-CG 4.28Å; L16-L20 PolarHBondContact O-N 3.26Å; L16-L20 VanDerWaalsContact O-N 3.12Å; M17-L20 PolarHBondContact O-N 3.04Å; L20-C22 VanDerWaalsContact C-N 3.33Å; L20-C22 PolarHBondContact O-N 3.5Å; L20-L23 WeakPolarHBondContact O-CA 3.45Å; L20-L23 VanDerWaalsContact O-CB 3.27Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L23 PolarHBondContact O-N 3.01Å; L20-L23 VanDerWaalsContact O-N 3.08Å; L20-E24 PolarHBondContact O-N 3.45Å; L20-L65 HydrophobicContact CD1-CD2 4.03Å; L20-L65 HydrophobicContact CD1-CG 4.4Å; L20-L68 HydrophobicContact CD1-CB 4.5Å; L20-L68 HydrophobicContact CD1-CD1 3.57Å
21L85.8Confident82.5Confident112 Ų11270.7 Ų70.759%0.58636%0.364SS*.Hα-helixtrans-62.5-37.8175.1-72.1172000112.5M17 S18 L23 E24 G25M17-L21 PolarHBondContact O-N 3Å; M17-L21 VanDerWaalsContact O-N 3.13Å; S18-L21 PolarHBondContact O-N 3.25Å; L21-L23 VanDerWaalsContact C-N 3.29Å; L21-L23 PolarHBondContact O-N 3.42Å; L21-E24 PolarHBondContact O-N 2.96Å; L21-G25 PolarHBondContact O-N 2.96Å
22C86.6Confident83.1Confident34 Ų3470.1 Ų70.123%0.2336%0.356CS..Hα-helixtrans-64-36.9172.9-69.70000111.9M9 S18 S19 L20 G25 M26M9-C22 HydrophobicContact CB-CB 4.34Å; S18-C22 PolarHBondContact O-N 2.86Å; S18-C22 VanDerWaalsContact O-N 3.11Å; S18-C22 PolarHBondContact O-SG 3.29Å; S18-C22 VanDerWaalsContact O-SG 3.34Å; S19-C22 PolarHBondContact O-N 3.19Å; L20-C22 VanDerWaalsContact C-N 3.33Å; L20-C22 PolarHBondContact O-N 3.5Å; C22-G25 PolarHBondContact O-N 3.45Å; C22-M26 WeakPolarHBondContact O-CG 3.35Å; C22-M26 PolarHBondContact O-N 2.93Å
23L86.1Confident84.4Confident71 Ų7166.9 Ų66.937%0.37235%0.349SS..Hα-helixtrans-64.3-46.3175.6-125163.7000111.8S19 L20 L21 G25 M26 M27S19-L23 PolarHBondContact O-N 3.16Å; L20-L23 WeakPolarHBondContact O-CA 3.45Å; L20-L23 VanDerWaalsContact O-CB 3.27Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L23 PolarHBondContact O-N 3.01Å; L20-L23 VanDerWaalsContact O-N 3.08Å; L21-L23 VanDerWaalsContact C-N 3.29Å; L21-L23 PolarHBondContact O-N 3.42Å; L23-G25 VanDerWaalsContact C-N 3.29Å; L23-G25 PolarHBondContact O-N 3.39Å; L23-M26 HydrophobicContact CB-CE 4.32Å; L23-M26 HydrophobicContact CD2-CE 4.1Å; L23-M26 HydrophobicContact CG-CE 3.79Å; L23-M26 WeakPolarHBondContact O-CB 3.45Å; L23-M26 PolarHBondContact O-N 3.42Å; L23-M26 VanDerWaalsContact O-N 3.13Å; L23-M27 WeakPolarHBondContact O-CG 3.46Å; L23-M27 PolarHBondContact O-N 3Å
24E88.1Confident85.7Confident103 Ų10359.3 Ų59.348%0.48133%0.327SS..Hα-helixtrans-58.9-41.4173.1-71.2-174.7165.700111.8L20 L21 M26 M27 L28L20-E24 PolarHBondContact O-N 3.45Å; L21-E24 PolarHBondContact O-N 2.96Å; E24-M26 VanDerWaalsContact C-N 3.34Å; E24-M26 PolarHBondContact O-N 3.25Å; E24-M27 PolarHBondContact O-N 3.47Å; E24-L28 WeakPolarHBondContact O-CB 3.41Å; E24-L28 PolarHBondContact O-N 3.37Å
25G88.4Confident87Confident33 Ų3357.8 Ų57.834%0.3431%0.314SS..Hα-helixtrans-61.5-38.1174.800000113.7L21 C22 L23 S29L21-G25 PolarHBondContact O-N 2.96Å; C22-G25 PolarHBondContact O-N 3.45Å; L23-G25 VanDerWaalsContact C-N 3.29Å; L23-G25 PolarHBondContact O-N 3.39Å; G25-S29 PolarHBondContact O-N 3.12Å; G25-S29 VanDerWaalsContact O-N 3.13Å
26M90.3Very high87.7Confident15 Ų1558.5 Ų58.57%0.07432%0.321CS..Hα-helixtrans-63.6-49.1173.8-73.6-172.4-68.600110.9F2 S5 L6 M9 C22 L23 E24 L28 S29 L30F2-M26 HydrophobicContact CD2-CB 4.18Å; F2-M26 HydrophobicContact CD2-CG 4.29Å; F2-M26 HydrophobicContact CE2-CB 4.07Å; F2-M26 HydrophobicContact CE2-CG 4.25Å; F2-M26 HydrophobicContact CE2-SD 4.42Å; S5-M26 WeakPolarHBondContact OG-CG 3.45Å; L6-M26 HydrophobicContact CB-SD 4.07Å; L6-M26 HydrophobicContact CD1-SD 4.16Å; M9-M26 HydrophobicContact CB-CE 4.24Å; M9-M26 HydrophobicContact CE-CE 4.27Å; M9-M26 HydrophobicContact CG-CE 4.36Å; C22-M26 WeakPolarHBondContact O-CG 3.35Å; C22-M26 PolarHBondContact O-N 2.93Å; L23-M26 HydrophobicContact CB-CE 4.32Å; L23-M26 HydrophobicContact CD2-CE 4.1Å; L23-M26 HydrophobicContact CG-CE 3.79Å; L23-M26 WeakPolarHBondContact O-CB 3.45Å; L23-M26 PolarHBondContact O-N 3.42Å; L23-M26 VanDerWaalsContact O-N 3.13Å; E24-M26 VanDerWaalsContact C-N 3.34Å; E24-M26 PolarHBondContact O-N 3.25Å; M26-L28 VanDerWaalsContact C-N 3.34Å; M26-L28 PolarHBondContact O-N 2.64Å; M26-S29 PolarHBondContact O-N 3.21Å; M26-S29 PolarHBondContact O-OG 3.3Å; M26-L30 PolarHBondContact O-N 2.99Å
27M91.9Very high88.3Confident45 Ų4562.4 Ų62.422%0.22234%0.339CS..Hα-helixtrans-62-40.9-178.9-63.4-54.9-79.500112.1L23 E24 S29 L30 F31 A57L23-M27 WeakPolarHBondContact O-CG 3.46Å; L23-M27 PolarHBondContact O-N 3Å; E24-M27 PolarHBondContact O-N 3.47Å; M27-S29 PolarHBondContact O-N 3.49Å; M27-L30 PolarHBondContact O-N 3.48Å; M27-L30 HydrophobicContact SD-CD1 4.45Å; M27-F31 PolarHBondContact O-N 3.34Å; M27-A57 HydrophobicContact CB-CB 4.02Å; M27-A57 HydrophobicContact CE-CB 3.29Å; M27-A57 HydrophobicContact CG-CB 3.96Å; M27-A57 HydrophobicContact SD-CB 4.47Å
28L90.4Very high88.6Confident110 Ų11059.2 Ų59.258%0.57632%0.324SS*.Hα-helixtrans-65.1-39.5176.7-165.5146.9000111.7E24 M26 F31 I32E24-L28 WeakPolarHBondContact O-CB 3.41Å; E24-L28 PolarHBondContact O-N 3.37Å; M26-L28 VanDerWaalsContact C-N 3.34Å; M26-L28 PolarHBondContact O-N 2.64Å; L28-F31 PolarHBondContact O-N 3.09Å; L28-I32 HydrophobicContact CD2-CD1 3.57Å; L28-I32 HydrophobicContact CD2-CG1 4.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.4Å; L28-I32 PolarHBondContact O-N 3.08Å
29S92.4Very high88.7Confident21 Ų2162.5 Ų62.515%0.14734%0.338CS..Hα-helixtrans-67.3-36.1176.774.20000113.2F2 G25 M26 M27 M33F2-S29 WeakPolarHBondContact CB-OG 3.4Å; G25-S29 PolarHBondContact O-N 3.12Å; G25-S29 VanDerWaalsContact O-N 3.13Å; M26-S29 PolarHBondContact O-N 3.21Å; M26-S29 PolarHBondContact O-OG 3.3Å; M27-S29 PolarHBondContact O-N 3.49Å; S29-M33 PolarHBondContact O-N 3.12Å; S29-M33 VanDerWaalsContact O-N 3.11Å
30L90.1Very high88.9Confident58 Ų5866.9 Ų66.930%0.30436%0.359SS..Hα-helixtrans-66.3-40.6172.9-76.9170.1000111.5F2 M26 M27 M33 A34F2-L30 HydrophobicContact CD2-CD1 4.45Å; F2-L30 HydrophobicContact CD2-CD2 4.38Å; F2-L30 HydrophobicContact CD2-CG 4.04Å; F2-L30 HydrophobicContact CE2-CD1 3.86Å; F2-L30 HydrophobicContact CE2-CD2 4.24Å; F2-L30 HydrophobicContact CE2-CG 3.92Å; M26-L30 PolarHBondContact O-N 2.99Å; M27-L30 PolarHBondContact O-N 3.48Å; M27-L30 HydrophobicContact SD-CD1 4.45Å; L30-M33 HydrophobicContact CD2-CE 4.29Å; L30-M33 PolarHBondContact O-N 2.7Å; L30-A34 WeakPolarHBondContact O-CB 3.47Å; L30-A34 PolarHBondContact O-N 2.96Å
31F92.2Very high88.7Confident68 Ų6870.1 Ų70.130%0.29838%0.38SS..Hα-helixtrans-61-46.3175.7176.8-99.4000112.1M27 L28 M33 A34 T35 P50 L54M27-F31 PolarHBondContact O-N 3.34Å; L28-F31 PolarHBondContact O-N 3.09Å; F31-M33 VanDerWaalsContact C-N 3.34Å; F31-M33 PolarHBondContact O-N 3.28Å; F31-A34 PolarHBondContact O-N 2.91Å; F31-T35 HydrophobicContact CD1-CG2 4.3Å; F31-T35 HydrophobicContact CD2-CG2 4.21Å; F31-T35 HydrophobicContact CE1-CG2 3.88Å; F31-T35 HydrophobicContact CE2-CG2 3.79Å; F31-T35 HydrophobicContact CG-CG2 4.45Å; F31-T35 HydrophobicContact CZ-CG2 3.61Å; F31-T35 WeakPolarHBondContact O-CB 3.24Å; F31-T35 VanDerWaalsContact O-CG2 3.32Å; F31-T35 WeakPolarHBondContact O-CG2 3.21Å; F31-T35 PolarHBondContact O-N 2.94Å; F31-T35 PolarHBondContact O-OG1 3.31Å; F31-P50 HydrophobicContact CD2-CB 3.77Å; F31-P50 WeakPolarHBondContact CD2-O 3.19Å; F31-P50 HydrophobicContact CE2-CB 3.61Å; F31-L54 HydrophobicContact CD2-CB 4.44Å; F31-L54 HydrophobicContact CD2-CD1 3.89Å; F31-L54 HydrophobicContact CE2-CD1 3.79Å; F31-L54 HydrophobicContact CG-CD1 4.31Å; F31-L54 HydrophobicContact CZ-CD1 4.13Å
32I92.3Very high88.4Confident85 Ų8573.1 Ų73.144%0.43639%0.391SS..Hα-helixtrans-61.5-43.7177.1-66.9171.6000110.8L28 T35 L36L28-I32 HydrophobicContact CD2-CD1 3.57Å; L28-I32 HydrophobicContact CD2-CG1 4.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.4Å; L28-I32 PolarHBondContact O-N 3.08Å; I32-T35 WeakPolarHBondContact CA-OG1 3.45Å; I32-T35 PolarHBondContact O-OG1 3.01Å; I32-L36 HydrophobicContact CG2-CD1 3.88Å; I32-L36 HydrophobicContact CG2-CG 4.46Å; I32-L36 WeakPolarHBondContact O-CB 3.44Å; I32-L36 VanDerWaalsContact O-CG 3.3Å; I32-L36 WeakPolarHBondContact O-CG 3.37Å; I32-L36 PolarHBondContact O-N 3.01Å
33M90.8Very high87.9Confident107 Ų10773.6 Ų73.653%0.52739%0.394SS..Hα-helixtrans-63.8-44.9178.3-170.5-174.17400111.8S29 L30 F31 L36 M37S29-M33 PolarHBondContact O-N 3.12Å; S29-M33 VanDerWaalsContact O-N 3.11Å; L30-M33 HydrophobicContact CD2-CE 4.29Å; L30-M33 PolarHBondContact O-N 2.7Å; F31-M33 VanDerWaalsContact C-N 3.34Å; F31-M33 PolarHBondContact O-N 3.28Å; M33-L36 PolarHBondContact O-N 3.27Å; M33-M37 WeakPolarHBondContact O-CG 3.48Å; M33-M37 PolarHBondContact O-N 3.39Å
34A88.6Confident87.4Confident29 Ų2977.8 Ų77.824%0.2442%0.416CS..Hα-helixtrans-63.6-44.6179.400000111.5L30 F31 M37 T38 P50L30-A34 WeakPolarHBondContact O-CB 3.47Å; L30-A34 PolarHBondContact O-N 2.96Å; F31-A34 PolarHBondContact O-N 2.91Å; A34-M37 PolarHBondContact O-N 3.42Å; A34-T38 WeakPolarHBondContact O-CG2 3.27Å; A34-T38 PolarHBondContact O-N 3.37Å; A34-P50 HydrophobicContact CB-CB 4.44Å; A34-P50 HydrophobicContact CB-CG 4.04Å
35T89.1Confident87Confident29 Ų2980 Ų8018%0.17843%0.431CS..Hα-helixtrans-64.9-38.9177.551.50000112.7F31 I32 M37 T38 L39 P50F31-T35 HydrophobicContact CD1-CG2 4.3Å; F31-T35 HydrophobicContact CD2-CG2 4.21Å; F31-T35 HydrophobicContact CE1-CG2 3.88Å; F31-T35 HydrophobicContact CE2-CG2 3.79Å; F31-T35 HydrophobicContact CG-CG2 4.45Å; F31-T35 HydrophobicContact CZ-CG2 3.61Å; F31-T35 WeakPolarHBondContact O-CB 3.24Å; F31-T35 VanDerWaalsContact O-CG2 3.32Å; F31-T35 WeakPolarHBondContact O-CG2 3.21Å; F31-T35 PolarHBondContact O-N 2.94Å; F31-T35 PolarHBondContact O-OG1 3.31Å; I32-T35 WeakPolarHBondContact CA-OG1 3.45Å; I32-T35 PolarHBondContact O-OG1 3.01Å; T35-M37 VanDerWaalsContact C-N 3.31Å; T35-M37 PolarHBondContact O-N 2.78Å; T35-T38 WeakPolarHBondContact CA-OG1 3.48Å; T35-T38 PolarHBondContact O-N 3.13Å; T35-T38 PolarHBondContact O-OG1 2.99Å; T35-L39 WeakPolarHBondContact O-CB 3.39Å; T35-L39 WeakPolarHBondContact O-CD1 3.44Å; T35-L39 WeakPolarHBondContact O-CG 3.26Å; T35-L39 PolarHBondContact O-N 3.42Å; T35-P50 HydrophobicContact CG2-CB 3.74Å; T35-P50 HydrophobicContact CG2-CG 3.98Å
36L90.2Very high86.6Confident95 Ų9580 Ų8050%0.49743%0.427SS..Hα-helixtrans-63.1-38.5173.8-74.6169.1000112I32 M33 N40I32-L36 HydrophobicContact CG2-CD1 3.88Å; I32-L36 HydrophobicContact CG2-CG 4.46Å; I32-L36 WeakPolarHBondContact O-CB 3.44Å; I32-L36 VanDerWaalsContact O-CG 3.3Å; I32-L36 WeakPolarHBondContact O-CG 3.37Å; I32-L36 PolarHBondContact O-N 3.01Å; M33-L36 PolarHBondContact O-N 3.27Å; L36-N40 WeakPolarHBondContact O-CB 3.41Å; L36-N40 PolarHBondContact O-N 3.33Å; L36-N40 PolarHBondContact O-ND2 3.47Å
37M87.4Confident86.2Confident116 Ų11682.5 Ų82.557%0.57144%0.441SS*.Hα-helixtrans-68.7-39.6177-70.1-62.5-16800112.7M33 A34 T35 N40 T41M33-M37 WeakPolarHBondContact O-CG 3.48Å; M33-M37 PolarHBondContact O-N 3.39Å; A34-M37 PolarHBondContact O-N 3.42Å; T35-M37 VanDerWaalsContact C-N 3.31Å; T35-M37 PolarHBondContact O-N 2.78Å; M37-N40 PolarHBondContact O-N 3Å; M37-T41 WeakPolarHBondContact O-CG2 3.15Å; M37-T41 PolarHBondContact O-N 3.24Å; M37-T41 VanDerWaalsContact O-N 3.12Å; M37-T41 PolarHBondContact O-OG1 3.46Å
38T87.2Confident86Confident15 Ų1585.7 Ų85.79%0.09246%0.457CS..Hα-helixtrans-66.7-39.7176.159.50000111.4A34 T35 T41 H42 S43 A46 N47 P50A34-T38 WeakPolarHBondContact O-CG2 3.27Å; A34-T38 PolarHBondContact O-N 3.37Å; T35-T38 WeakPolarHBondContact CA-OG1 3.48Å; T35-T38 PolarHBondContact O-N 3.13Å; T35-T38 PolarHBondContact O-OG1 2.99Å; T38-T41 PolarHBondContact O-N 3.48Å; T38-T41 PolarHBondContact O-OG1 3.08Å; T38-H42 PolarHBondContact O-N 3.49Å; T38-S43 PolarHBondContact O-N 3.42Å; T38-A46 HydrophobicContact CG2-CB 3.74Å; T38-A46 WeakPolarHBondContact CG2-O 3.46Å; T38-N47 PolarHBondContact OG1-OD1 3.13Å; T38-P50 HydrophobicContact CG2-CG 4.12Å
39L86.3Confident85.8Confident112 Ų11284.8 Ų84.859%0.58646%0.456SS*.Hα-helixtrans-63.2-45.9175.1-71.8168.9000111.9T35 T41 H42T35-L39 WeakPolarHBondContact O-CB 3.39Å; T35-L39 WeakPolarHBondContact O-CD1 3.44Å; T35-L39 WeakPolarHBondContact O-CG 3.26Å; T35-L39 PolarHBondContact O-N 3.42Å; L39-T41 VanDerWaalsContact C-N 3.3Å; L39-T41 PolarHBondContact O-N 2.94Å; L39-H42 PolarHBondContact O-N 3.01Å
40N86.4Confident85.7Confident123 Ų12383.9 Ų83.966%0.65845%0.45SS*.Hα-helixtrans-63.9-33.3179-81.5-26.3000113.3L36 M37 H42L36-N40 WeakPolarHBondContact O-CB 3.41Å; L36-N40 PolarHBondContact O-N 3.33Å; L36-N40 PolarHBondContact O-ND2 3.47Å; M37-N40 PolarHBondContact O-N 3Å; N40-H42 VanDerWaalsContact C-N 3.31Å
41T82.9Confident85.7Confident92 Ų9286.1 Ų86.156%0.56446%0.461SS*.THydrogen-bonded Turntrans-87.81-179.7550000113.2M37 T38 L39 S43M37-T41 WeakPolarHBondContact O-CG2 3.15Å; M37-T41 PolarHBondContact O-N 3.24Å; M37-T41 VanDerWaalsContact O-N 3.12Å; M37-T41 PolarHBondContact O-OG1 3.46Å; T38-T41 PolarHBondContact O-N 3.48Å; T38-T41 PolarHBondContact O-OG1 3.08Å; L39-T41 VanDerWaalsContact C-N 3.3Å; L39-T41 PolarHBondContact O-N 2.94Å; T41-S43 PolarHBondContact O-N 3.33Å; T41-S43 PolarHBondContact OG1-OG 3.27Å
42H78.8Confident85.7Confident175 Ų17584.8 Ų84.881%0.8146%0.463SS*.THydrogen-bonded Turntrans47.229.1-175.6-67.6-69.5000113.9T38 L39 N40 L44T38-H42 PolarHBondContact O-N 3.49Å; L39-H42 PolarHBondContact O-N 3.01Å; N40-H42 VanDerWaalsContact C-N 3.31Å; H42-L44 PolarHBondContact O-N 3.45Å
43S76Confident85.6Confident43 Ų4385 Ų8530%0.30146%0.463SS..  trans-96.391.1-174.258.20000110.2T38 T41 L45 A46T38-S43 PolarHBondContact O-N 3.42Å; T41-S43 PolarHBondContact O-N 3.33Å; T41-S43 PolarHBondContact OG1-OG 3.27Å; S43-L45 PolarHBondContact O-N 3.5Å; S43-A46 WeakPolarHBondContact O-CB 3.45Å; S43-A46 PolarHBondContact O-N 3.02Å; S43-A46 WeakPolarHBondContact OG-CB 3.31Å
44L74.8Confident85.7Confident159 Ų15984.2 Ų84.283%0.83246%0.46SS*.G310 helixtrans-58.7-32.9-178.8-67.5172.6000113.1H42 A46 N47H42-L44 PolarHBondContact O-N 3.45Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 3.34Å; L44-N47 WeakPolarHBondContact O-CB 3.49Å; L44-N47 PolarHBondContact O-N 3.11Å
45L79.7Confident85.9Confident151 Ų15186.9 Ų86.979%0.79147%0.473SS*.G310 helixtrans-66.6-32.7175.5-83.1158.9000112.9S43 N47 I48S43-L45 PolarHBondContact O-N 3.5Å; L45-N47 PolarHBondContact O-N 3.1Å; L45-I48 PolarHBondContact O-N 3.24Å
46A81Confident86Confident31 Ų3192.2 Ų92.226%0.25649%0.494SS..G310 helixtrans-72.5-13.5-179.400000112.4T38 S43 L44 I48 V49 P50T38-A46 HydrophobicContact CG2-CB 3.74Å; T38-A46 WeakPolarHBondContact CG2-O 3.46Å; S43-A46 WeakPolarHBondContact O-CB 3.45Å; S43-A46 PolarHBondContact O-N 3.02Å; S43-A46 WeakPolarHBondContact OG-CB 3.31Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 3.34Å; A46-I48 PolarHBondContact O-N 3.23Å; A46-V49 WeakPolarHBondContact O-CB 3.42Å; A46-V49 PolarHBondContact O-N 3.44Å; A46-P50 WeakPolarHBondContact O-CD 3.34Å
47N80.9Confident86.1Confident69 Ų6988.5 Ų88.537%0.36948%0.478SS..G310 helixtrans-67.8-14.4178.2-134.829.9000113.5T38 L44 L45 V49 P50 I51T38-N47 PolarHBondContact OG1-OD1 3.13Å; L44-N47 WeakPolarHBondContact O-CB 3.49Å; L44-N47 PolarHBondContact O-N 3.11Å; L45-N47 PolarHBondContact O-N 3.1Å; N47-V49 VanDerWaalsContact C-N 3.27Å; N47-P50 WeakPolarHBondContact O-CD 3.49Å; N47-I51 WeakPolarHBondContact O-CD1 3.42Å; N47-I51 WeakPolarHBondContact O-CG1 3.45Å
48I87.6Confident86.2Confident111 Ų11185.7 Ų85.757%0.56947%0.473SS*.Hα-helixtrans-66.7-31.9171-61.5172.7000110.7L45 A46 I51 A52L45-I48 PolarHBondContact O-N 3.24Å; A46-I48 PolarHBondContact O-N 3.23Å; I48-I51 PolarHBondContact O-N 2.96Å; I48-A52 WeakPolarHBondContact O-CB 3.47Å; I48-A52 PolarHBondContact O-N 3.44Å
49V87.6Confident86.4Confident91 Ų9188.4 Ų88.455%0.55249%0.492SS*.Hα-helixtrans-65.9-50.6-175.2178.40000112.3A46 N47 I51 A52 M53A46-V49 WeakPolarHBondContact O-CB 3.42Å; A46-V49 PolarHBondContact O-N 3.44Å; N47-V49 VanDerWaalsContact C-N 3.27Å; V49-I51 VanDerWaalsContact C-N 3.26Å; V49-I51 PolarHBondContact O-N 2.92Å; V49-A52 PolarHBondContact O-N 3.47Å; V49-M53 HydrophobicContact CG1-CG 4.44Å; V49-M53 WeakPolarHBondContact O-CB 3.24Å; V49-M53 VanDerWaalsContact O-CG 3.26Å; V49-M53 WeakPolarHBondContact O-CG 3.39Å; V49-M53 PolarHBondContact O-N 2.92Å
50P89.3Confident86.6Confident2 Ų288.8 Ų88.81%0.01349%0.49CS..Hα-helixtrans-58.2-35.9174.5-23.931.3000113.8F31 A34 T35 T38 A46 N47 L54F31-P50 HydrophobicContact CD2-CB 3.77Å; F31-P50 WeakPolarHBondContact CD2-O 3.19Å; F31-P50 HydrophobicContact CE2-CB 3.61Å; A34-P50 HydrophobicContact CB-CB 4.44Å; A34-P50 HydrophobicContact CB-CG 4.04Å; T35-P50 HydrophobicContact CG2-CB 3.74Å; T35-P50 HydrophobicContact CG2-CG 3.98Å; T38-P50 HydrophobicContact CG2-CG 4.12Å; A46-P50 WeakPolarHBondContact O-CD 3.34Å; N47-P50 WeakPolarHBondContact O-CD 3.49Å; P50-L54 PolarHBondContact O-N 3.27Å; P50-L54 VanDerWaalsContact O-N 3.09Å
51I90.3Very high86.7Confident105 Ų10584.1 Ų84.154%0.53847%0.469SS..Hα-helixtrans-69.6-47.9179.7-60.9168.9000110.3N47 I48 V49 M53 L54 V55N47-I51 WeakPolarHBondContact O-CD1 3.42Å; N47-I51 WeakPolarHBondContact O-CG1 3.45Å; I48-I51 PolarHBondContact O-N 2.96Å; V49-I51 VanDerWaalsContact C-N 3.26Å; V49-I51 PolarHBondContact O-N 2.92Å; I51-M53 VanDerWaalsContact C-N 3.31Å; I51-M53 PolarHBondContact O-N 3.34Å; I51-L54 PolarHBondContact O-N 2.96Å; I51-L54 VanDerWaalsContact O-N 3.14Å; I51-V55 WeakPolarHBondContact O-CG2 3.5Å; I51-V55 PolarHBondContact O-N 3.42Å; I51-V55 VanDerWaalsContact O-N 3.1Å
52A92.2Very high87.1Confident41 Ų4182.5 Ų82.534%0.33947%0.465SS..Hα-helixtrans-59.3-43.3176.400000111.5I48 V49 L54 V55 F56I48-A52 WeakPolarHBondContact O-CB 3.47Å; I48-A52 PolarHBondContact O-N 3.44Å; V49-A52 PolarHBondContact O-N 3.47Å; A52-L54 VanDerWaalsContact C-N 3.3Å; A52-L54 PolarHBondContact O-N 2.97Å; A52-V55 PolarHBondContact O-N 2.87Å; A52-F56 WeakPolarHBondContact O-CD2 3.34Å; A52-F56 PolarHBondContact O-N 3.04Å; A52-F56 VanDerWaalsContact O-N 3.13Å
53M91.4Very high87.7Confident88 Ų8878.5 Ų78.543%0.43345%0.453SS..Hα-helixtrans-56.9-41.7174.5-75.2-70.8-67.400112.4V49 I51 F56 A57V49-M53 HydrophobicContact CG1-CG 4.44Å; V49-M53 WeakPolarHBondContact O-CB 3.24Å; V49-M53 VanDerWaalsContact O-CG 3.26Å; V49-M53 WeakPolarHBondContact O-CG 3.39Å; V49-M53 PolarHBondContact O-N 2.92Å; I51-M53 VanDerWaalsContact C-N 3.31Å; I51-M53 PolarHBondContact O-N 3.34Å; M53-F56 PolarHBondContact O-N 3.35Å; M53-A57 WeakPolarHBondContact O-CB 3.48Å; M53-A57 PolarHBondContact O-N 3.42Å
54L91.3Very high88.2Confident91 Ų9177.1 Ų77.148%0.47645%0.445SS..Hα-helixtrans-67.8-38179.9-157.5158.1000111.8F31 P50 I51 A52 A57 A58F31-L54 HydrophobicContact CD2-CB 4.44Å; F31-L54 HydrophobicContact CD2-CD1 3.89Å; F31-L54 HydrophobicContact CE2-CD1 3.79Å; F31-L54 HydrophobicContact CG-CD1 4.31Å; F31-L54 HydrophobicContact CZ-CD1 4.13Å; P50-L54 PolarHBondContact O-N 3.27Å; P50-L54 VanDerWaalsContact O-N 3.09Å; I51-L54 PolarHBondContact O-N 2.96Å; I51-L54 VanDerWaalsContact O-N 3.14Å; A52-L54 VanDerWaalsContact C-N 3.3Å; A52-L54 PolarHBondContact O-N 2.97Å; L54-A57 WeakPolarHBondContact O-CB 3.45Å; L54-A57 PolarHBondContact O-N 2.94Å; L54-A58 PolarHBondContact O-N 2.95Å
55V94.3Very high88.9Confident85 Ų8573.3 Ų73.352%0.51543%0.425SS..Hα-helixtrans-62.5-48.1175.6176.40000110.9I51 A52 A57 A58 C59I51-V55 WeakPolarHBondContact O-CG2 3.5Å; I51-V55 PolarHBondContact O-N 3.42Å; I51-V55 VanDerWaalsContact O-N 3.1Å; A52-V55 PolarHBondContact O-N 2.87Å; V55-A57 VanDerWaalsContact C-N 3.31Å; V55-A57 PolarHBondContact O-N 3.33Å; V55-A58 PolarHBondContact O-N 3.29Å; V55-C59 PolarHBondContact O-N 3.05Å; V55-C59 VanDerWaalsContact O-N 3.08Å; V55-C59 PolarHBondContact O-SG 3.04Å
56F91.3Very high89.3Confident141 Ų14169.1 Ų69.162%0.61841%0.413SS*.Hα-helixtrans-62.4-38.6176.5-75.6-68.1000112.2A52 M53 A58 C59 E60A52-F56 WeakPolarHBondContact O-CD2 3.34Å; A52-F56 PolarHBondContact O-N 3.04Å; A52-F56 VanDerWaalsContact O-N 3.13Å; M53-F56 PolarHBondContact O-N 3.35Å; F56-A58 VanDerWaalsContact C-N 3.34Å; F56-A58 PolarHBondContact O-N 3.3Å; F56-C59 WeakPolarHBondContact O-CB 3.36Å; F56-C59 PolarHBondContact O-N 3.09Å; F56-E60 PolarHBondContact O-N 3.14Å
57A90.8Very high89.5Confident18 Ų1872.4 Ų72.415%0.14943%0.425CS..Hα-helixtrans-57.4-45.6174.400000112.5M27 M53 L54 V55 C59 E60 A61M27-A57 HydrophobicContact CB-CB 4.02Å; M27-A57 HydrophobicContact CE-CB 3.29Å; M27-A57 HydrophobicContact CG-CB 3.96Å; M27-A57 HydrophobicContact SD-CB 4.47Å; M53-A57 WeakPolarHBondContact O-CB 3.48Å; M53-A57 PolarHBondContact O-N 3.42Å; L54-A57 WeakPolarHBondContact O-CB 3.45Å; L54-A57 PolarHBondContact O-N 2.94Å; V55-A57 VanDerWaalsContact C-N 3.31Å; V55-A57 PolarHBondContact O-N 3.33Å; A57-C59 VanDerWaalsContact C-N 3.32Å; A57-C59 PolarHBondContact O-N 3.48Å; A57-E60 PolarHBondContact O-N 3.18Å; A57-A61 WeakPolarHBondContact O-CB 3.43Å; A57-A61 PolarHBondContact O-N 3Å
58A90.9Very high89.7Confident57 Ų5769.8 Ų69.847%0.47141%0.411SS..Hα-helixtrans-65.7-36.7178.800000111.8L54 V55 F56 A61 A62L54-A58 PolarHBondContact O-N 2.95Å; V55-A58 PolarHBondContact O-N 3.29Å; F56-A58 VanDerWaalsContact C-N 3.34Å; F56-A58 PolarHBondContact O-N 3.3Å; A58-A61 PolarHBondContact O-N 3.38Å; A58-A62 WeakPolarHBondContact O-CB 3.44Å; A58-A62 PolarHBondContact O-N 2.88Å
59C91.6Very high89.7Confident71 Ų7168.2 Ų68.248%0.4841%0.407SS..Hα-helixtrans-63.5-47174.3-65.30000111.8V55 F56 A57 A61 A62 V63V55-C59 PolarHBondContact O-N 3.05Å; V55-C59 VanDerWaalsContact O-N 3.08Å; V55-C59 PolarHBondContact O-SG 3.04Å; F56-C59 WeakPolarHBondContact O-CB 3.36Å; F56-C59 PolarHBondContact O-N 3.09Å; A57-C59 VanDerWaalsContact C-N 3.32Å; A57-C59 PolarHBondContact O-N 3.48Å; C59-A61 VanDerWaalsContact C-N 3.34Å; C59-A61 PolarHBondContact O-N 3.34Å; C59-A62 PolarHBondContact O-N 3.34Å; C59-V63 WeakPolarHBondContact O-CG2 3.45Å; C59-V63 PolarHBondContact O-N 2.92Å
60E89.1Confident89.5Confident120 Ų12066.5 Ų66.556%0.56140%0.398SS*.Hα-helixtrans-61.1-42.8176.8-71.4-176.1169.400111.9F56 A57 A62 V63 G64F56-E60 PolarHBondContact O-N 3.14Å; A57-E60 PolarHBondContact O-N 3.18Å; E60-A62 PolarHBondContact O-N 3.44Å; E60-V63 PolarHBondContact O-N 3.13Å; E60-G64 PolarHBondContact O-N 3.43Å
61A89.7Confident89Confident25 Ų2567.7 Ų67.721%0.20740%0.404CS..Hα-helixtrans-62.2-41.617600000112.2A57 A58 C59 G64 L65A57-A61 WeakPolarHBondContact O-CB 3.43Å; A57-A61 PolarHBondContact O-N 3Å; A58-A61 PolarHBondContact O-N 3.38Å; C59-A61 VanDerWaalsContact C-N 3.34Å; C59-A61 PolarHBondContact O-N 3.34Å; A61-G64 PolarHBondContact O-N 3.32Å; A61-L65 WeakPolarHBondContact O-CG 3.43Å; A61-L65 PolarHBondContact O-N 3.01Å
62A90.6Very high88.6Confident59 Ų5964.2 Ų64.249%0.48839%0.39SS..Hα-helixtrans-62.6-43176.500000112.3A58 C59 E60 L65 A66A58-A62 WeakPolarHBondContact O-CB 3.44Å; A58-A62 PolarHBondContact O-N 2.88Å; C59-A62 PolarHBondContact O-N 3.34Å; E60-A62 PolarHBondContact O-N 3.44Å; A62-L65 PolarHBondContact O-N 3.34Å; A62-A66 WeakPolarHBondContact O-CB 3.48Å; A62-A66 PolarHBondContact O-N 2.76Å
63V90.4Very high88.1Confident90 Ų9068.5 Ų68.555%0.54541%0.407SS..Hα-helixtrans-66.4-41.2174.9179.70000111C59 E60 L65 A66 L67C59-V63 WeakPolarHBondContact O-CG2 3.45Å; C59-V63 PolarHBondContact O-N 2.92Å; E60-V63 PolarHBondContact O-N 3.13Å; V63-L65 PolarHBondContact O-N 2.86Å; V63-A66 PolarHBondContact O-N 3.03Å; V63-L67 HydrophobicContact CG1-CD1 4.38Å; V63-L67 WeakPolarHBondContact O-CG 3.42Å; V63-L67 PolarHBondContact O-N 3.27Å
64G88.6Confident87.5Confident14 Ų1469 Ų6914%0.14442%0.415CS..Hα-helixtrans-59.8-42.6176.600000113E60 A61 L67 L68E60-G64 PolarHBondContact O-N 3.43Å; A61-G64 PolarHBondContact O-N 3.32Å; G64-L67 PolarHBondContact O-N 3.22Å; G64-L68 PolarHBondContact O-N 3.2Å
65L87.4Confident86.6Confident80 Ų8068.4 Ų68.442%0.41941%0.407SS..Hα-helixtrans-67.4-41.3174.7-74.1165.6000112.2M17 L20 A61 A62 V63 L67 L68 V69M17-L65 HydrophobicContact SD-CD2 4.49Å; L20-L65 HydrophobicContact CD1-CD2 4.03Å; L20-L65 HydrophobicContact CD1-CG 4.4Å; A61-L65 WeakPolarHBondContact O-CG 3.43Å; A61-L65 PolarHBondContact O-N 3.01Å; A62-L65 PolarHBondContact O-N 3.34Å; V63-L65 PolarHBondContact O-N 2.86Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L67 PolarHBondContact O-N 3.35Å; L65-L68 WeakPolarHBondContact O-CB 3.14Å; L65-L68 PolarHBondContact O-N 3.25Å; L65-L68 VanDerWaalsContact O-N 3.16Å; L65-V69 WeakPolarHBondContact O-CG2 3.32Å; L65-V69 PolarHBondContact O-N 3.34Å
66A89.3Confident85.3Confident63 Ų6367.3 Ų67.352%0.52141%0.413SS..Hα-helixtrans-60.3-41175.800000111.9A62 V63 V69 S70A62-A66 WeakPolarHBondContact O-CB 3.48Å; A62-A66 PolarHBondContact O-N 2.76Å; V63-A66 PolarHBondContact O-N 3.03Å; A66-V69 PolarHBondContact O-N 3.26Å; A66-S70 PolarHBondContact O-N 3.45Å
67L85.4Confident84.1Confident100 Ų10065.1 Ų65.152%0.52441%0.407SS..Hα-helixtrans-63.7-42.9173.2-75.1171.6000111.8V63 G64 L65 V69 S70 I71V63-L67 HydrophobicContact CG1-CD1 4.38Å; V63-L67 WeakPolarHBondContact O-CG 3.42Å; V63-L67 PolarHBondContact O-N 3.27Å; G64-L67 PolarHBondContact O-N 3.22Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L67 PolarHBondContact O-N 3.35Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 PolarHBondContact O-N 3.5Å; L67-S70 PolarHBondContact O-N 3.45Å; L67-S70 VanDerWaalsContact O-N 3.07Å; L67-S70 PolarHBondContact O-OG 3.32Å; L67-I71 WeakPolarHBondContact O-CG1 3.48Å; L67-I71 PolarHBondContact O-N 3.11Å
68L85.1Confident82.7Confident13 Ų1366.9 Ų66.97%0.06841%0.414CS..Hα-helixtrans-59.3-44177.2-165156.8000111.6L16 M17 L20 G64 L65 S70 I71 S72L16-L68 HydrophobicContact CB-CD1 4.13Å; L16-L68 HydrophobicContact CD2-CB 4.14Å; L16-L68 HydrophobicContact CD2-CD1 3.69Å; L16-L68 HydrophobicContact CD2-CG 4.06Å; M17-L68 HydrophobicContact CB-CD1 4.48Å; M17-L68 HydrophobicContact CG-CD1 3.71Å; M17-L68 HydrophobicContact SD-CD1 3.24Å; M17-L68 WeakPolarHBondContact SD-CD1 3.41Å; M17-L68 HydrophobicContact SD-CD2 4.1Å; M17-L68 HydrophobicContact SD-CG 4.33Å; L20-L68 HydrophobicContact CD1-CB 4.5Å; L20-L68 HydrophobicContact CD1-CD1 3.57Å; G64-L68 PolarHBondContact O-N 3.2Å; L65-L68 WeakPolarHBondContact O-CB 3.14Å; L65-L68 PolarHBondContact O-N 3.25Å; L65-L68 VanDerWaalsContact O-N 3.16Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 2.9Å; L68-I71 PolarHBondContact O-N 3.13Å; L68-S72 PolarHBondContact O-N 2.84Å; L68-S72 PolarHBondContact O-OG 3.01Å
69V86.2Confident81.4Confident79 Ų7968.7 Ų68.748%0.47941%0.409SS..Hα-helixtrans-61.7-37.4174.8174.50000111.7L65 A66 L67 S72 N73L65-V69 WeakPolarHBondContact O-CG2 3.32Å; L65-V69 PolarHBondContact O-N 3.34Å; A66-V69 PolarHBondContact O-N 3.26Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 PolarHBondContact O-N 3.5Å; V69-S72 WeakPolarHBondContact CA-OG 3.32Å; V69-S72 PolarHBondContact O-OG 3.03Å; V69-N73 WeakPolarHBondContact O-CB 3.19Å; V69-N73 VanDerWaalsContact O-CG 3.25Å; V69-N73 PolarHBondContact O-N 2.99Å; V69-N73 PolarHBondContact O-ND2 2.91Å
70S83.9Confident79.9Confident54 Ų5467.8 Ų67.838%0.37840%0.402SS..Hα-helixtrans-66.1-40.8175.674.70000112.5A66 L67 L68 N73 T74A66-S70 PolarHBondContact O-N 3.45Å; L67-S70 PolarHBondContact O-N 3.45Å; L67-S70 VanDerWaalsContact O-N 3.07Å; L67-S70 PolarHBondContact O-OG 3.32Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 2.9Å; S70-N73 PolarHBondContact O-N 3.4Å; S70-T74 WeakPolarHBondContact O-CG2 3.48Å; S70-T74 PolarHBondContact O-N 2.87Å; S70-T74 VanDerWaalsContact O-N 3.09Å; S70-T74 PolarHBondContact O-OG1 3.39Å
71I80Confident78.5Confident27 Ų2769.6 Ų69.614%0.13841%0.409CS..Hα-helixtrans-67.8-42178.6-65.8164.8000110.6L16 L67 L68 N73 T74 Y75 L83L16-I71 HydrophobicContact CD1-CD1 4.04Å; L67-I71 WeakPolarHBondContact O-CG1 3.48Å; L67-I71 PolarHBondContact O-N 3.11Å; L68-I71 PolarHBondContact O-N 3.13Å; I71-N73 VanDerWaalsContact C-N 3.32Å; I71-N73 PolarHBondContact O-N 3.22Å; I71-T74 PolarHBondContact O-N 2.96Å; I71-T74 PolarHBondContact O-OG1 3.47Å; I71-T74 VanDerWaalsContact O-OG1 3.1Å; I71-Y75 HydrophobicContact CG2-CD2 4.09Å; I71-Y75 PolarHBondContact O-N 3.12Å; I71-L83 HydrophobicContact CD1-CD1 4.37Å
72S81.4Confident77Confident33 Ų3371.8 Ų71.823%0.23142%0.418CS..Hα-helixtrans-66.3-35.2177.5710000111.7L68 V69 G76 D78L68-S72 PolarHBondContact O-N 2.84Å; L68-S72 PolarHBondContact O-OG 3.01Å; V69-S72 WeakPolarHBondContact CA-OG 3.32Å; V69-S72 PolarHBondContact O-OG 3.03Å; S72-G76 WeakPolarHBondContact O-CA 3.39Å; S72-G76 PolarHBondContact O-N 3.22Å; S72-D78 WeakPolarHBondContact CB-OD1 3.3Å
73N81.9Confident75.6Confident130 Ų13072.1 Ų72.170%0.69541%0.411SS*.Hα-helixtrans-68.7-33.6173.5-76.7-35000113.5V69 S70 I71V69-N73 WeakPolarHBondContact O-CB 3.19Å; V69-N73 VanDerWaalsContact O-CG 3.25Å; V69-N73 PolarHBondContact O-N 2.99Å; V69-N73 PolarHBondContact O-ND2 2.91Å; S70-N73 PolarHBondContact O-N 3.4Å; I71-N73 VanDerWaalsContact C-N 3.32Å; I71-N73 PolarHBondContact O-N 3.22Å
74T78.4Confident74.4Confident100 Ų10072.3 Ų72.361%0.61341%0.409SS*.Hα-helixtrans-84.1-35-179.753.70000113.7S70 I71S70-T74 WeakPolarHBondContact O-CG2 3.48Å; S70-T74 PolarHBondContact O-N 2.87Å; S70-T74 VanDerWaalsContact O-N 3.09Å; S70-T74 PolarHBondContact O-OG1 3.39Å; I71-T74 PolarHBondContact O-N 2.96Å; I71-T74 PolarHBondContact O-OG1 3.47Å; I71-T74 VanDerWaalsContact O-OG1 3.1Å
75Y72.6Confident73.2Confident78 Ų7877.5 Ų77.531%0.30643%0.433SS..Hα-helixtrans-113.5-5.5-173.8-64.2-77.5000114.3I71 L77 N82 L83 L85I71-Y75 HydrophobicContact CG2-CD2 4.09Å; I71-Y75 PolarHBondContact O-N 3.12Å; Y75-L77 PolarHBondContact O-N 3.44Å; Y75-N82 HydrophobicContact CD1-CB 3.82Å; Y75-N82 HydrophobicContact CE1-CB 4.34Å; Y75-N82 HydrophobicContact CG-CB 4.01Å; Y75-L83 HydrophobicContact CE2-CD2 3.84Å; Y75-L85 HydrophobicContact CE1-CD1 4.14Å; Y75-L85 WeakPolarHBondContact OH-CD1 3.41Å
76G67.7Low72.2Confident61 Ų6181.3 Ų81.363%0.62945%0.453SS*.SBendtrans69.4-9.1-179.600000115.3S72S72-G76 WeakPolarHBondContact O-CA 3.39Å; S72-G76 PolarHBondContact O-N 3.22Å
77L65Low71Confident96 Ų9685.5 Ų85.550%0.50346%0.461SS..SBendtrans-143.5139.9-175.1-64.5170.7000110.7Y75 Y79Y75-L77 PolarHBondContact O-N 3.44Å; L77-Y79 HydrophobicContact CB-CD2 3.69Å; L77-Y79 HydrophobicContact CB-CE2 4.23Å; L77-Y79 HydrophobicContact CD1-CD2 4.04Å; L77-Y79 HydrophobicContact CD1-CE2 4.15Å; L77-Y79 HydrophobicContact CD2-CE2 4.47Å; L77-Y79 HydrophobicContact CG-CD2 4.37Å; L77-Y79 PolarHBondContact O-N 3.07Å
78D62.4Low69.6Low55 Ų5589.1 Ų89.129%0.29449%0.493SS..  trans-75.323.6-176.9-58.4-28.5000114.6S72S72-D78 WeakPolarHBondContact CB-OD1 3.3Å
79Y62.6Low68.9Low94 Ų9492.9 Ų92.937%0.36951%0.514SS..BIsolated β-bridgetrans-84.8120.7-175.3-71-60.6000111.8S14 H15 L77 H81 N82S14-Y79 WeakPolarHBondContact O-CA 3.45Å; H15-Y79 AromaticContact CE1-CE1 3.47Å; H15-Y79 VanDerWaalsContact CE1-CE1 3.47Å; H15-Y79 WeakPolarHBondContact CE1-CE1 3.42Å; H15-Y79 AromaticContact CE1-CZ 3.83Å; H15-Y79 AromaticContact NE2-CE1 3.83Å; L77-Y79 HydrophobicContact CB-CD2 3.69Å; L77-Y79 HydrophobicContact CB-CE2 4.23Å; L77-Y79 HydrophobicContact CD1-CD2 4.04Å; L77-Y79 HydrophobicContact CD1-CE2 4.15Å; L77-Y79 HydrophobicContact CD2-CE2 4.47Å; L77-Y79 HydrophobicContact CG-CD2 4.37Å; L77-Y79 PolarHBondContact O-N 3.07Å; Y79-H81 PolarHBondContact O-N 3.42Å; Y79-H81 VanDerWaalsContact O-N 3.15Å; Y79-N82 PolarHBondContact O-N 3.38Å
80V60.8Low68Low53 Ų5393.6 Ų93.632%0.32152%0.516SS..G310 helixtrans-59.5-27.3176.5-173.50000112S14 L16 N82 L83S14-V80 PolarHBondContact O-N 2.99Å; L16-V80 HydrophobicContact CB-CG2 4.26Å; L16-V80 HydrophobicContact CD1-CG2 4.22Å; V80-N82 PolarHBondContact O-N 2.92Å; V80-L83 PolarHBondContact O-N 3Å
81H59.3Low67.1Low157 Ų15795.8 Ų95.873%0.72752%0.524SS*.G310 helixtrans-64.6-23.8-179.7-163.2-17.9000113.6Y79 L83Y79-H81 PolarHBondContact O-N 3.42Å; Y79-H81 VanDerWaalsContact O-N 3.15Å; H81-L83 PolarHBondContact O-N 2.95Å
82N58.9Low66.3Low71 Ų7199.9 Ų99.938%0.3855%0.547SS..G310 helixtrans-73.1-11.6179.3-87.67.3000113.7Y75 Y79 V80 N84Y75-N82 HydrophobicContact CD1-CB 3.82Å; Y75-N82 HydrophobicContact CE1-CB 4.34Å; Y75-N82 HydrophobicContact CG-CB 4.01Å; Y79-N82 PolarHBondContact O-N 3.38Å; V80-N82 PolarHBondContact O-N 2.92Å; N82-N84 PolarHBondContact O-N 3.22Å; N82-N84 VanDerWaalsContact O-N 3.11Å
83L61Low65.4Low66 Ų66104.1 Ų104.135%0.34657%0.566SS.*G310 helixtrans-80.823.1-179.6-64169.4000113.9I71 Y75 V80 H81 L85I71-L83 HydrophobicContact CD1-CD1 4.37Å; Y75-L83 HydrophobicContact CE2-CD2 3.84Å; V80-L83 PolarHBondContact O-N 3Å; H81-L83 PolarHBondContact O-N 2.95Å; L83-L85 PolarHBondContact O-N 3.26Å
84N65.1Low64.3Low95 Ų95102.3 Ų102.351%0.50856%0.558SS.*G310 helixtrans-82.15.2-174.8-138.732.6000114.7N82 L86 Q87N82-N84 PolarHBondContact O-N 3.22Å; N82-N84 VanDerWaalsContact O-N 3.11Å; N84-L86 VanDerWaalsContact C-N 3.26Å; N84-L86 PolarHBondContact O-N 3.38Å; N84-Q87 PolarHBondContact ND2-OE1 3.33Å; N84-Q87 PolarHBondContact O-N 3.44Å; N84-Q87 PolarHBondContact OD1-OE1 2.98Å
85L62.8Low63.2Low122 Ų122102.5 Ų102.564%0.63955%0.554SS**G310 helixtrans-69.3-19.9178.8-81.8160.7000113.8Y75 L83 Q87Y75-L85 HydrophobicContact CE1-CD1 4.14Å; Y75-L85 WeakPolarHBondContact OH-CD1 3.41Å; L83-L85 PolarHBondContact O-N 3.26Å; L85-Q87 VanDerWaalsContact C-N 3.3Å
86L65.8Low62.5Low160 Ų160104.4 Ų104.484%0.83857%0.573SS**G310 helixtrans-84.40.8177.4-78.8154.1000113.6N84 C88N84-L86 VanDerWaalsContact C-N 3.26Å; N84-L86 PolarHBondContact O-N 3.38Å; L86-C88 VanDerWaalsContact C-N 3.26Å
87Q64Low62.1Low151 Ų151108 Ų10871%0.70657%0.568SS**G310 helixtrans-83.1-2.3175-156.2-174.9-26.300112.7N84 L85N84-Q87 PolarHBondContact ND2-OE1 3.33Å; N84-Q87 PolarHBondContact O-N 3.44Å; N84-Q87 PolarHBondContact OD1-OE1 2.98Å; L85-Q87 VanDerWaalsContact C-N 3.3Å
88C57.6Low61.8Low176 Ų176109.1 Ų109.1100%1.18957%0.574SS**  trans-86.40171.4-67.30000110.9L86L86-C88 VanDerWaalsContact C-N 3.26Å

Retrieved 88 of 88 residues in 82.3 ms (Link to these results)