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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 A0A059R8V1, Species HUMAN (Homo sapiens, Human), Gene ND4L, Length 90 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
1M78.4Confident88.3Confident164 Ų16478.6 Ų78.681%0.80844%0.44SS*.  0-58.90-65.3-47.6-136.600113A3 F4 T5 M35M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.49Å; M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 3.21Å; M1-T5 PolarHBondContact O-N 3.18Å; M1-T5 PolarHBondContact O-OG1 3.03Å; M1-M35 HydrophobicContact CE-SD 4.33Å; M1-M35 HydrophobicContact SD-SD 3.97Å
2L89.9Confident88Confident142 Ų14280.2 Ų80.274%0.74345%0.445SS*.Hα-helixtrans-55-44178.7-72168.2000113.3F4 T5 I6L2-F4 VanDerWaalsContact C-N 3.34Å; L2-F4 PolarHBondContact O-N 3.26Å; L2-T5 WeakPolarHBondContact CA-OG1 3.41Å; L2-T5 PolarHBondContact O-N 2.94Å; L2-T5 PolarHBondContact O-OG1 3.48Å; L2-I6 WeakPolarHBondContact O-CD1 3.42Å; L2-I6 WeakPolarHBondContact O-CG1 3.42Å; L2-I6 PolarHBondContact O-N 3.29Å
3A90.1Very high87.6Confident63 Ų6381.2 Ų81.252%0.52145%0.454SS..Hα-helixtrans-58.4-43.6175.800000112.7M1 I6 S7M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.49Å; A3-I6 PolarHBondContact O-N 3.21Å; A3-S7 PolarHBondContact O-N 3.23Å; A3-S7 PolarHBondContact O-OG 3.45Å; A3-S7 VanDerWaalsContact O-OG 3.05Å
4F91.1Very high85.8Confident58 Ų5888 Ų8825%0.25447%0.471SS..Hα-helixtrans-64.1-42.5176.6-178.3-95.1000111.9M1 L2 I6 S7 L8 M28 S31 L32M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 3.21Å; L2-F4 VanDerWaalsContact C-N 3.34Å; L2-F4 PolarHBondContact O-N 3.26Å; F4-I6 VanDerWaalsContact C-N 3.32Å; F4-I6 PolarHBondContact O-N 3.24Å; F4-S7 WeakPolarHBondContact CA-OG 3.1Å; F4-S7 PolarHBondContact O-N 3.38Å; F4-S7 PolarHBondContact O-OG 2.65Å; F4-L8 HydrophobicContact CE1-CD1 4.23Å; F4-L8 HydrophobicContact CZ-CD1 4.31Å; F4-L8 VanDerWaalsContact O-CB 3.24Å; F4-L8 WeakPolarHBondContact O-CB 3.49Å; F4-L8 PolarHBondContact O-N 2.84Å; F4-M28 HydrophobicContact CD2-CB 4.18Å; F4-M28 HydrophobicContact CD2-CG 4.25Å; F4-M28 HydrophobicContact CE2-CB 4.02Å; F4-M28 HydrophobicContact CE2-CG 4.15Å; F4-M28 HydrophobicContact CE2-SD 4.36Å; F4-S31 WeakPolarHBondContact CB-OG 3.43Å; F4-S31 WeakPolarHBondContact CD2-OG 3.49Å; F4-L32 HydrophobicContact CD2-CD1 4.48Å; F4-L32 HydrophobicContact CD2-CD2 4.35Å; F4-L32 HydrophobicContact CD2-CG 4.06Å; F4-L32 HydrophobicContact CE2-CD1 3.93Å; F4-L32 HydrophobicContact CE2-CD2 4.27Å; F4-L32 HydrophobicContact CE2-CG 3.98Å
5T90.7Very high84.3Confident63 Ų6394.3 Ų94.339%0.38749%0.486SS..Hα-helixtrans-67.2-34.3178.450.90000112.3M1 L2 L9M1-T5 PolarHBondContact O-N 3.18Å; M1-T5 PolarHBondContact O-OG1 3.03Å; L2-T5 WeakPolarHBondContact CA-OG1 3.41Å; L2-T5 PolarHBondContact O-N 2.94Å; L2-T5 PolarHBondContact O-OG1 3.48Å; T5-L9 WeakPolarHBondContact O-CB 3.39Å; T5-L9 WeakPolarHBondContact O-CG 3.41Å; T5-L9 PolarHBondContact O-N 3.06Å
6I90.6Very high83Confident115 Ų11592.3 Ų92.359%0.5948%0.483SS*.Hα-helixtrans-70-43.5177.6-66.4161.4000110.4L2 A3 F4 L9 G10L2-I6 WeakPolarHBondContact O-CD1 3.42Å; L2-I6 WeakPolarHBondContact O-CG1 3.42Å; L2-I6 PolarHBondContact O-N 3.29Å; A3-I6 PolarHBondContact O-N 3.21Å; F4-I6 VanDerWaalsContact C-N 3.32Å; F4-I6 PolarHBondContact O-N 3.24Å; I6-L9 PolarHBondContact O-N 3.2Å; I6-G10 PolarHBondContact O-N 3.3Å
7S89.1Confident82.7Confident16 Ų1691.4 Ų91.411%0.11248%0.475CS..Hα-helixtrans-69-36176.852.60000112.5A3 F4 G10 M11 M28A3-S7 PolarHBondContact O-N 3.23Å; A3-S7 PolarHBondContact O-OG 3.45Å; A3-S7 VanDerWaalsContact O-OG 3.05Å; F4-S7 WeakPolarHBondContact CA-OG 3.1Å; F4-S7 PolarHBondContact O-N 3.38Å; F4-S7 PolarHBondContact O-OG 2.65Å; S7-G10 PolarHBondContact O-N 3.22Å; S7-M11 PolarHBondContact O-N 2.98Å; S7-M28 WeakPolarHBondContact OG-CG 3.49Å
8L89.4Confident82.3Confident61 Ų6188.3 Ų88.332%0.31946%0.459SS..Hα-helixtrans-60.9-48.1171.3-172.3100.6000111.5F4 G10 M11 L12 M28F4-L8 HydrophobicContact CE1-CD1 4.23Å; F4-L8 HydrophobicContact CZ-CD1 4.31Å; F4-L8 VanDerWaalsContact O-CB 3.24Å; F4-L8 WeakPolarHBondContact O-CB 3.49Å; F4-L8 PolarHBondContact O-N 2.84Å; L8-G10 VanDerWaalsContact C-N 3.3Å; L8-G10 PolarHBondContact O-N 2.99Å; L8-M11 PolarHBondContact O-N 2.85Å; L8-L12 HydrophobicContact CD2-CD1 4.09Å; L8-L12 HydrophobicContact CG-CD1 4.2Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 2.96Å; L8-M28 HydrophobicContact CB-SD 4.08Å; L8-M28 HydrophobicContact CD1-SD 3.96Å
9L88.8Confident82.4Confident105 Ų10587.9 Ų87.955%0.5546%0.456SS..Hα-helixtrans-61.2-39.9175.6-74.6168.7000111.5T5 I6 M11 L12 V13T5-L9 WeakPolarHBondContact O-CB 3.39Å; T5-L9 WeakPolarHBondContact O-CG 3.41Å; T5-L9 PolarHBondContact O-N 3.06Å; I6-L9 PolarHBondContact O-N 3.2Å; L9-M11 VanDerWaalsContact C-N 3.3Å; L9-M11 PolarHBondContact O-N 3.19Å; L9-L12 PolarHBondContact O-N 3.42Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.11Å
10G87.3Confident82.5Confident31 Ų3185.6 Ų85.632%0.3245%0.448SS..Hα-helixtrans-61.5-35.5175.500000113.6I6 S7 L8I6-G10 PolarHBondContact O-N 3.3Å; S7-G10 PolarHBondContact O-N 3.22Å; L8-G10 VanDerWaalsContact C-N 3.3Å; L8-G10 PolarHBondContact O-N 2.99Å
11M85.8Confident82.6Confident47 Ų4782.9 Ų82.923%0.23244%0.436CS..Hα-helixtrans-74.1-42.9175.8-178.2-85.6-71.500112.3S7 L8 L9 V13 C24 M28S7-M11 PolarHBondContact O-N 2.98Å; L8-M11 PolarHBondContact O-N 2.85Å; L9-M11 VanDerWaalsContact C-N 3.3Å; L9-M11 PolarHBondContact O-N 3.19Å; M11-V13 VanDerWaalsContact C-N 3.29Å; M11-V13 PolarHBondContact O-N 3.42Å; M11-C24 HydrophobicContact CB-CB 4.21Å; M11-M28 HydrophobicContact CB-CE 4.18Å; M11-M28 HydrophobicContact CE-CE 4.17Å; M11-M28 HydrophobicContact CG-CE 4.25Å
12L84.6Confident83Confident97 Ų9776.5 Ų76.551%0.50841%0.405SS..Hα-helixtrans-65.8-32.4179-71170.5000112.5L8 L9 Y14L8-L12 HydrophobicContact CD2-CD1 4.09Å; L8-L12 HydrophobicContact CG-CD1 4.2Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 2.96Å; L9-L12 PolarHBondContact O-N 3.42Å; L12-Y14 VanDerWaalsContact C-N 3.25Å; L12-Y14 WeakPolarHBondContact O-CD2 3.36Å; L12-Y14 PolarHBondContact O-N 3.44Å
13V82.8Confident82.9Confident93 Ų9375 Ų7556%0.56440%0.397SS*.SBendtrans-78.982.1170.3-178.70000108L9 M11 R15L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.11Å; M11-V13 VanDerWaalsContact C-N 3.29Å; M11-V13 PolarHBondContact O-N 3.42Å; V13-R15 PolarHBondContact O-N 3.25Å
14Y63.1Low82.9Confident177 Ų17773.6 Ų73.669%0.69438%0.383SS*.  trans-5399.8175.7-73.1-80.5000110.7L12L12-Y14 VanDerWaalsContact C-N 3.25Å; L12-Y14 WeakPolarHBondContact O-CD2 3.36Å; L12-Y14 PolarHBondContact O-N 3.44Å
15R63.4Low82.7Confident183 Ų18374.1 Ų74.169%0.69139%0.388SS*.  trans-77.8154.6166.3-72.8-76.1-163.8126.43.4108.5V13 H17V13-R15 PolarHBondContact O-N 3.25Å; R15-H17 PolarHBondContact O-N 3.01Å
16S63.3Low82.7Confident62 Ų6275.8 Ų75.843%0.43439%0.392SS..SBendtrans-53.7-25-177.654.20000114.6Y81 V82S16-Y81 WeakPolarHBondContact O-CA 3.5Å; S16-Y81 WeakPolarHBondContact O-CD1 3.21Å; S16-V82 PolarHBondContact O-N 2.92Å
17H77Confident82.7Confident77 Ų7771.8 Ų71.836%0.35638%0.379SS..BIsolated β-bridgetrans-105.3121.7-175.8-62-72.3000112.9R15 M19 S20 Y81R15-H17 PolarHBondContact O-N 3.01Å; H17-M19 PolarHBondContact O-N 3.17Å; H17-S20 PolarHBondContact O-N 2.98Å; H17-S20 VanDerWaalsContact O-N 3.08Å; H17-S20 PolarHBondContact O-OG 3.05Å; H17-Y81 AromaticContact CE1-CE1 3.39Å; H17-Y81 WeakPolarHBondContact CE1-CE1 3.4Å; H17-Y81 AromaticContact CE1-CZ 3.72Å; H17-Y81 AromaticContact NE2-CE1 3.81Å
18L76.9Confident82.8Confident36 Ų3671.8 Ų71.819%0.18838%0.377CS..Hα-helixtrans-62.4-29.1178-154.3123000113S20 S21 L22 L70 I73 D80 V82L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 3.46Å; L18-S21 WeakPolarHBondContact CA-OG 3.45Å; L18-S21 PolarHBondContact O-N 3.12Å; L18-S21 PolarHBondContact O-OG 2.98Å; L18-L22 HydrophobicContact CD2-CD1 4.2Å; L18-L22 HydrophobicContact CD2-CG 4.45Å; L18-L22 PolarHBondContact O-N 3.42Å; L18-L22 VanDerWaalsContact O-N 3.09Å; L18-L70 HydrophobicContact CB-CD1 4.1Å; L18-L70 HydrophobicContact CD2-CB 4.02Å; L18-L70 HydrophobicContact CD2-CD1 3.73Å; L18-L70 HydrophobicContact CD2-CG 4.01Å; L18-I73 HydrophobicContact CD1-CD1 4.27Å; L18-D80 PolarHBondContact N-O 3.06Å; L18-V82 HydrophobicContact CB-CG2 4.33Å; L18-V82 HydrophobicContact CD1-CG2 4.07Å
19M83Confident83Confident81 Ų8170.8 Ų70.840%0.39937%0.371SS..Hα-helixtrans-56.5-41.6172.7-74.1-60.5-69.400112.5H17 L22 L23 L67 L70H17-M19 PolarHBondContact O-N 3.17Å; M19-L22 PolarHBondContact O-N 2.87Å; M19-L23 PolarHBondContact O-N 3.35Å; M19-L23 VanDerWaalsContact O-N 3.1Å; M19-L67 HydrophobicContact SD-CD2 4.41Å; M19-L70 HydrophobicContact CB-CD1 4.46Å; M19-L70 HydrophobicContact CG-CD1 3.67Å; M19-L70 HydrophobicContact SD-CD1 3.23Å; M19-L70 WeakPolarHBondContact SD-CD1 3.47Å; M19-L70 HydrophobicContact SD-CD2 4.15Å; M19-L70 HydrophobicContact SD-CG 4.34Å
20S84.6Confident83.1Confident41 Ų4171.1 Ų71.129%0.28737%0.373SS..Hα-helixtrans-69-35.5-178.266.40000112.2H17 L18 L23 C24H17-S20 PolarHBondContact O-N 2.98Å; H17-S20 VanDerWaalsContact O-N 3.08Å; H17-S20 PolarHBondContact O-OG 3.05Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 3.46Å; S20-L23 PolarHBondContact O-N 3.49Å; S20-C24 PolarHBondContact O-N 3.38Å; S20-C24 VanDerWaalsContact O-N 3.11Å; S20-C24 PolarHBondContact O-SG 3.36Å; S20-C24 VanDerWaalsContact O-SG 3.38Å
21S85.6Confident83.4Confident28 Ų2870.6 Ų70.620%0.19636%0.364CS..Hα-helixtrans-67.3-37.9172.745.10000112.6L18 C24 L25L18-S21 WeakPolarHBondContact CA-OG 3.45Å; L18-S21 PolarHBondContact O-N 3.12Å; L18-S21 PolarHBondContact O-OG 2.98Å; S21-C24 PolarHBondContact O-N 3.01Å; S21-L25 PolarHBondContact O-N 3.39Å
22L86.9Confident83.7Confident31 Ų3171 Ų7116%0.16237%0.367CS..Hα-helixtrans-62.9-43.2176-72.6171.8000111.5L18 M19 C24 L25 E26 L67 L70L18-L22 HydrophobicContact CD2-CD1 4.2Å; L18-L22 HydrophobicContact CD2-CG 4.45Å; L18-L22 PolarHBondContact O-N 3.42Å; L18-L22 VanDerWaalsContact O-N 3.09Å; M19-L22 PolarHBondContact O-N 2.87Å; L22-C24 VanDerWaalsContact C-N 3.34Å; L22-C24 PolarHBondContact O-N 3.16Å; L22-L25 WeakPolarHBondContact O-CA 3.33Å; L22-L25 VanDerWaalsContact O-CB 3.32Å; L22-L25 WeakPolarHBondContact O-CB 3.4Å; L22-L25 PolarHBondContact O-N 3.02Å; L22-L25 VanDerWaalsContact O-N 3.08Å; L22-E26 PolarHBondContact O-N 3Å; L22-L67 HydrophobicContact CD1-CD2 4.22Å; L22-L67 HydrophobicContact CD1-CG 4.48Å; L22-L70 HydrophobicContact CD1-CD1 3.66Å
23L87.4Confident84.1Confident109 Ų10969.5 Ų69.557%0.57136%0.357SS*.Hα-helixtrans-62.7-38.2175-71.3171.6000112.6M19 S20 L25 E26 G27M19-L23 PolarHBondContact O-N 3.35Å; M19-L23 VanDerWaalsContact O-N 3.1Å; S20-L23 PolarHBondContact O-N 3.49Å; L23-L25 VanDerWaalsContact C-N 3.28Å; L23-L25 PolarHBondContact O-N 2.98Å; L23-E26 PolarHBondContact O-N 3.27Å; L23-G27 PolarHBondContact O-N 3.45Å
24C88.9Confident84.6Confident35 Ų3569 Ų6924%0.23635%0.35CS..Hα-helixtrans-63.6-36173-70.40000111.9M11 S20 S21 L22 G27 M28M11-C24 HydrophobicContact CB-CB 4.21Å; S20-C24 PolarHBondContact O-N 3.38Å; S20-C24 VanDerWaalsContact O-N 3.11Å; S20-C24 PolarHBondContact O-SG 3.36Å; S20-C24 VanDerWaalsContact O-SG 3.38Å; S21-C24 PolarHBondContact O-N 3.01Å; L22-C24 VanDerWaalsContact C-N 3.34Å; L22-C24 PolarHBondContact O-N 3.16Å; C24-G27 PolarHBondContact O-N 2.86Å; C24-M28 PolarHBondContact O-N 3.29Å
25L88.3Confident85.9Confident68 Ų6864.1 Ų64.136%0.35634%0.335SS..Hα-helixtrans-67-44.9176.7-142.6160.1000111.5S21 L22 L23 G27 M28 M29S21-L25 PolarHBondContact O-N 3.39Å; L22-L25 WeakPolarHBondContact O-CA 3.33Å; L22-L25 VanDerWaalsContact O-CB 3.32Å; L22-L25 WeakPolarHBondContact O-CB 3.4Å; L22-L25 PolarHBondContact O-N 3.02Å; L22-L25 VanDerWaalsContact O-N 3.08Å; L23-L25 VanDerWaalsContact C-N 3.28Å; L23-L25 PolarHBondContact O-N 2.98Å; L25-G27 VanDerWaalsContact C-N 3.3Å; L25-G27 PolarHBondContact O-N 3.26Å; L25-M28 HydrophobicContact CB-CE 4.23Å; L25-M28 HydrophobicContact CG-CE 3.87Å; L25-M28 WeakPolarHBondContact O-CB 3.39Å; L25-M28 PolarHBondContact O-N 3.07Å; L25-M28 VanDerWaalsContact O-N 3.14Å; L25-M29 HydrophobicContact CD2-CG 4.28Å; L25-M29 WeakPolarHBondContact O-CG 3.38Å; L25-M29 PolarHBondContact O-N 2.99Å
26E89.9Confident87.1Confident98 Ų9856.8 Ų56.846%0.45831%0.313SS..Hα-helixtrans-58.8-41.4171.5-71-174.1165.600112L22 L23 M28 M29 L30L22-E26 PolarHBondContact O-N 3Å; L23-E26 PolarHBondContact O-N 3.27Å; E26-M28 VanDerWaalsContact C-N 3.35Å; E26-M28 PolarHBondContact O-N 3.49Å; E26-M29 PolarHBondContact O-N 3.38Å; E26-L30 WeakPolarHBondContact O-CB 3.42Å; E26-L30 PolarHBondContact O-N 3Å
27G89.9Confident88.4Confident31 Ų3155.2 Ų55.232%0.3230%0.301SS..Hα-helixtrans-61.5-38174.600000113.6L23 C24 L25 S31L23-G27 PolarHBondContact O-N 3.45Å; C24-G27 PolarHBondContact O-N 2.86Å; L25-G27 VanDerWaalsContact C-N 3.3Å; L25-G27 PolarHBondContact O-N 3.26Å; G27-S31 PolarHBondContact O-N 3.42Å; G27-S31 VanDerWaalsContact O-N 3.12Å
28M91.6Very high89Confident16 Ų1656 Ų568%0.07931%0.307CS..Hα-helixtrans-62.5-49.7172.5-74.5-172.9-6800111.1F4 S7 L8 M11 C24 L25 E26 L30 S31 L32F4-M28 HydrophobicContact CD2-CB 4.18Å; F4-M28 HydrophobicContact CD2-CG 4.25Å; F4-M28 HydrophobicContact CE2-CB 4.02Å; F4-M28 HydrophobicContact CE2-CG 4.15Å; F4-M28 HydrophobicContact CE2-SD 4.36Å; S7-M28 WeakPolarHBondContact OG-CG 3.49Å; L8-M28 HydrophobicContact CB-SD 4.08Å; L8-M28 HydrophobicContact CD1-SD 3.96Å; M11-M28 HydrophobicContact CB-CE 4.18Å; M11-M28 HydrophobicContact CE-CE 4.17Å; M11-M28 HydrophobicContact CG-CE 4.25Å; C24-M28 PolarHBondContact O-N 3.29Å; L25-M28 HydrophobicContact CB-CE 4.23Å; L25-M28 HydrophobicContact CG-CE 3.87Å; L25-M28 WeakPolarHBondContact O-CB 3.39Å; L25-M28 PolarHBondContact O-N 3.07Å; L25-M28 VanDerWaalsContact O-N 3.14Å; E26-M28 VanDerWaalsContact C-N 3.35Å; E26-M28 PolarHBondContact O-N 3.49Å; M28-L30 VanDerWaalsContact C-N 3.34Å; M28-L30 PolarHBondContact O-N 3.49Å; M28-S31 PolarHBondContact O-N 3.34Å; M28-S31 PolarHBondContact O-OG 2.95Å; M28-L32 PolarHBondContact O-N 2.9Å; M28-L32 VanDerWaalsContact O-N 3.08Å
29M93.2Very high89.5Confident41 Ų4159.9 Ų59.920%0.20233%0.326CS..Hα-helixtrans-62.1-40.4-179.1-63.3-56.6-82.400112.2L25 E26 L32 F33 A59L25-M29 HydrophobicContact CD2-CG 4.28Å; L25-M29 WeakPolarHBondContact O-CG 3.38Å; L25-M29 PolarHBondContact O-N 2.99Å; E26-M29 PolarHBondContact O-N 3.38Å; M29-L32 PolarHBondContact O-N 2.83Å; M29-L32 HydrophobicContact SD-CD1 4.45Å; M29-F33 PolarHBondContact O-N 3.14Å; M29-A59 HydrophobicContact CB-CB 3.95Å; M29-A59 HydrophobicContact CE-CB 3.35Å; M29-A59 HydrophobicContact CG-CB 3.93Å
30L92.2Very high89.8Confident111 Ų11156.7 Ų56.758%0.58131%0.311SS*.Hα-helixtrans-65.5-39.8176.8-169.9134.7000112.1E26 M28 L32 F33 I34E26-L30 WeakPolarHBondContact O-CB 3.42Å; E26-L30 PolarHBondContact O-N 3Å; M28-L30 VanDerWaalsContact C-N 3.34Å; M28-L30 PolarHBondContact O-N 3.49Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.36Å; L30-F33 PolarHBondContact O-N 2.99Å; L30-I34 HydrophobicContact CD2-CD1 3.66Å; L30-I34 HydrophobicContact CD2-CG1 4.5Å; L30-I34 WeakPolarHBondContact O-CG1 3.42Å; L30-I34 PolarHBondContact O-N 3.43Å
31S93.5Very high89.9Confident20 Ų2060 Ų6014%0.1433%0.325CS..Hα-helixtrans-66.3-35176.575.60000113F4 G27 M28 M35F4-S31 WeakPolarHBondContact CB-OG 3.43Å; F4-S31 WeakPolarHBondContact CD2-OG 3.49Å; G27-S31 PolarHBondContact O-N 3.42Å; G27-S31 VanDerWaalsContact O-N 3.12Å; M28-S31 PolarHBondContact O-N 3.34Å; M28-S31 PolarHBondContact O-OG 2.95Å; S31-M35 PolarHBondContact O-N 2.99Å; S31-M35 VanDerWaalsContact O-N 3.14Å
32L91.1Very high90Very high56 Ų5664.6 Ų64.629%0.29335%0.347SS..Hα-helixtrans-68.2-40.9173.2-75.1170.5000111.5F4 M28 M29 L30 M35 A36F4-L32 HydrophobicContact CD2-CD1 4.48Å; F4-L32 HydrophobicContact CD2-CD2 4.35Å; F4-L32 HydrophobicContact CD2-CG 4.06Å; F4-L32 HydrophobicContact CE2-CD1 3.93Å; F4-L32 HydrophobicContact CE2-CD2 4.27Å; F4-L32 HydrophobicContact CE2-CG 3.98Å; M28-L32 PolarHBondContact O-N 2.9Å; M28-L32 VanDerWaalsContact O-N 3.08Å; M29-L32 PolarHBondContact O-N 2.83Å; M29-L32 HydrophobicContact SD-CD1 4.45Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.36Å; L32-M35 HydrophobicContact CD2-CE 4.35Å; L32-M35 PolarHBondContact O-N 3.25Å; L32-A36 WeakPolarHBondContact O-CB 3.23Å; L32-A36 PolarHBondContact O-N 3.48Å
33F93.1Very high89.9Confident66 Ų6667.5 Ų67.529%0.28937%0.366SS..Hα-helixtrans-60.1-47.6175.5176.2-99.9000112M29 L30 M35 A36 T37 P52 L56M29-F33 PolarHBondContact O-N 3.14Å; L30-F33 PolarHBondContact O-N 2.99Å; F33-M35 VanDerWaalsContact C-N 3.32Å; F33-M35 PolarHBondContact O-N 3.42Å; F33-A36 PolarHBondContact O-N 2.98Å; F33-T37 HydrophobicContact CD1-CG2 4.35Å; F33-T37 HydrophobicContact CD2-CG2 4.21Å; F33-T37 HydrophobicContact CE1-CG2 3.92Å; F33-T37 HydrophobicContact CE2-CG2 3.78Å; F33-T37 HydrophobicContact CG-CG2 4.49Å; F33-T37 HydrophobicContact CZ-CG2 3.62Å; F33-T37 WeakPolarHBondContact O-CB 3.41Å; F33-T37 WeakPolarHBondContact O-CG2 3.44Å; F33-T37 PolarHBondContact O-N 3.49Å; F33-T37 PolarHBondContact O-OG1 3.33Å; F33-P52 HydrophobicContact CD2-CB 3.72Å; F33-P52 WeakPolarHBondContact CD2-O 3.4Å; F33-P52 HydrophobicContact CE2-CB 3.57Å; F33-L56 HydrophobicContact CD2-CB 4.45Å; F33-L56 HydrophobicContact CD2-CD1 3.85Å; F33-L56 HydrophobicContact CE1-CD1 4.44Å; F33-L56 HydrophobicContact CE2-CD1 3.74Å; F33-L56 HydrophobicContact CG-CD1 4.25Å; F33-L56 HydrophobicContact CZ-CD1 4.05Å
34I92.9Very high89.5Confident83 Ų8370.5 Ų70.543%0.42638%0.377SS..Hα-helixtrans-61.3-42.3177.5-66.6169.9000110.8L30 T37 L38L30-I34 HydrophobicContact CD2-CD1 3.66Å; L30-I34 HydrophobicContact CD2-CG1 4.5Å; L30-I34 WeakPolarHBondContact O-CG1 3.42Å; L30-I34 PolarHBondContact O-N 3.43Å; I34-T37 WeakPolarHBondContact CA-OG1 3.47Å; I34-T37 PolarHBondContact O-OG1 3.18Å; I34-L38 HydrophobicContact CG2-CD1 3.86Å; I34-L38 HydrophobicContact CG2-CG 4.43Å; I34-L38 WeakPolarHBondContact O-CB 3.45Å; I34-L38 VanDerWaalsContact O-CG 3.27Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 3.48Å
35M91.2Very high89Confident74 Ų7470.8 Ų70.837%0.36538%0.38SS..Hα-helixtrans-64.7-45.4178-169.6-175.773.800111.8M1 S31 L32 F33 L38 M39M1-M35 HydrophobicContact CE-SD 4.33Å; M1-M35 HydrophobicContact SD-SD 3.97Å; S31-M35 PolarHBondContact O-N 2.99Å; S31-M35 VanDerWaalsContact O-N 3.14Å; L32-M35 HydrophobicContact CD2-CE 4.35Å; L32-M35 PolarHBondContact O-N 3.25Å; F33-M35 VanDerWaalsContact C-N 3.32Å; F33-M35 PolarHBondContact O-N 3.42Å; M35-L38 PolarHBondContact O-N 2.94Å; M35-M39 VanDerWaalsContact O-CG 3.3Å; M35-M39 WeakPolarHBondContact O-CG 3.32Å; M35-M39 PolarHBondContact O-N 3.08Å
36A89.1Confident88.4Confident28 Ų2875 Ų7523%0.23140%0.402CS..Hα-helixtrans-62.9-46-179.900000111.3L32 F33 M39 T40 P52L32-A36 WeakPolarHBondContact O-CB 3.23Å; L32-A36 PolarHBondContact O-N 3.48Å; F33-A36 PolarHBondContact O-N 2.98Å; A36-M39 PolarHBondContact O-N 3.44Å; A36-T40 WeakPolarHBondContact O-CG2 3.47Å; A36-T40 PolarHBondContact O-N 3.09Å; A36-P52 HydrophobicContact CB-CB 4.39Å; A36-P52 HydrophobicContact CB-CG 3.99Å
37T89.9Confident87.9Confident29 Ų2977.6 Ų77.618%0.17842%0.418CS..Hα-helixtrans-63.2-40.9177.150.20000112.9F33 I34 M39 T40 L41 P52F33-T37 HydrophobicContact CD1-CG2 4.35Å; F33-T37 HydrophobicContact CD2-CG2 4.21Å; F33-T37 HydrophobicContact CE1-CG2 3.92Å; F33-T37 HydrophobicContact CE2-CG2 3.78Å; F33-T37 HydrophobicContact CG-CG2 4.49Å; F33-T37 HydrophobicContact CZ-CG2 3.62Å; F33-T37 WeakPolarHBondContact O-CB 3.41Å; F33-T37 WeakPolarHBondContact O-CG2 3.44Å; F33-T37 PolarHBondContact O-N 3.49Å; F33-T37 PolarHBondContact O-OG1 3.33Å; I34-T37 WeakPolarHBondContact CA-OG1 3.47Å; I34-T37 PolarHBondContact O-OG1 3.18Å; T37-M39 VanDerWaalsContact C-N 3.3Å; T37-M39 PolarHBondContact O-N 3.48Å; T37-T40 PolarHBondContact O-N 2.68Å; T37-T40 PolarHBondContact O-OG1 3.28Å; T37-L41 WeakPolarHBondContact O-CB 3.4Å; T37-L41 WeakPolarHBondContact O-CD1 3.46Å; T37-L41 WeakPolarHBondContact O-CG 3.22Å; T37-L41 PolarHBondContact O-N 3.11Å; T37-P52 HydrophobicContact CG2-CB 3.65Å; T37-P52 HydrophobicContact CG2-CG 3.9Å
38L90.4Very high87.6Confident95 Ų9577.5 Ų77.550%0.49741%0.414SS..Hα-helixtrans-63.1-37.6174.5-73.9169.8000111.9I34 M35 N42I34-L38 HydrophobicContact CG2-CD1 3.86Å; I34-L38 HydrophobicContact CG2-CG 4.43Å; I34-L38 WeakPolarHBondContact O-CB 3.45Å; I34-L38 VanDerWaalsContact O-CG 3.27Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 3.48Å; M35-L38 PolarHBondContact O-N 2.94Å; L38-N42 WeakPolarHBondContact O-CB 3.24Å; L38-N42 PolarHBondContact O-N 3.36Å; L38-N42 PolarHBondContact O-ND2 2.69Å
39M87.9Confident87.1Confident117 Ų11780 Ų8058%0.57643%0.428SS*.Hα-helixtrans-68.6-40176.3-70.3-61.8-166.200112.7M35 A36 T37 N42 T43M35-M39 VanDerWaalsContact O-CG 3.3Å; M35-M39 WeakPolarHBondContact O-CG 3.32Å; M35-M39 PolarHBondContact O-N 3.08Å; A36-M39 PolarHBondContact O-N 3.44Å; T37-M39 VanDerWaalsContact C-N 3.3Å; T37-M39 PolarHBondContact O-N 3.48Å; M39-N42 PolarHBondContact O-N 3.1Å; M39-T43 WeakPolarHBondContact O-CG2 3.21Å; M39-T43 PolarHBondContact O-N 3.29Å; M39-T43 VanDerWaalsContact O-N 3.12Å; M39-T43 PolarHBondContact O-OG1 3.09Å
40T87.7Confident86.8Confident14 Ų1483.3 Ų83.39%0.08645%0.445CS..Hα-helixtrans-66.5-40.1176.562.50000111.5A36 T37 T43 H44 S45 A48 N49 P52A36-T40 WeakPolarHBondContact O-CG2 3.47Å; A36-T40 PolarHBondContact O-N 3.09Å; T37-T40 PolarHBondContact O-N 2.68Å; T37-T40 PolarHBondContact O-OG1 3.28Å; T40-T43 PolarHBondContact O-N 3.27Å; T40-T43 PolarHBondContact O-OG1 3.25Å; T40-H44 PolarHBondContact O-N 3.01Å; T40-S45 PolarHBondContact O-N 3.41Å; T40-A48 HydrophobicContact CG2-CB 3.69Å; T40-N49 PolarHBondContact OG1-OD1 2.98Å; T40-N49 VanDerWaalsContact OG1-OD1 3.06Å; T40-P52 HydrophobicContact CG2-CG 4.15Å
41L87.3Confident86.6Confident110 Ų11082.2 Ų82.258%0.57644%0.443SS*.Hα-helixtrans-63.5-45.4175.5-71.4169000112T37 T43 H44T37-L41 WeakPolarHBondContact O-CB 3.4Å; T37-L41 WeakPolarHBondContact O-CD1 3.46Å; T37-L41 WeakPolarHBondContact O-CG 3.22Å; T37-L41 PolarHBondContact O-N 3.11Å; L41-T43 VanDerWaalsContact C-N 3.3Å; L41-T43 PolarHBondContact O-N 3.08Å; L41-H44 PolarHBondContact O-N 3.01Å
42N87.2Confident86.5Confident125 Ų12581.4 Ų81.467%0.66844%0.437SS*.Hα-helixtrans-63.7-33.4178.4-84.5-25.2000113.3L38 M39 H44L38-N42 WeakPolarHBondContact O-CB 3.24Å; L38-N42 PolarHBondContact O-N 3.36Å; L38-N42 PolarHBondContact O-ND2 2.69Å; M39-N42 PolarHBondContact O-N 3.1Å; N42-H44 VanDerWaalsContact C-N 3.31Å
43T84.4Confident86.5Confident92 Ų9283.7 Ų83.756%0.56445%0.448SS*.THydrogen-bonded Turntrans-88.61.4-179.654.70000113.1M39 T40 L41 S45M39-T43 WeakPolarHBondContact O-CG2 3.21Å; M39-T43 PolarHBondContact O-N 3.29Å; M39-T43 VanDerWaalsContact O-N 3.12Å; M39-T43 PolarHBondContact O-OG1 3.09Å; T40-T43 PolarHBondContact O-N 3.27Å; T40-T43 PolarHBondContact O-OG1 3.25Å; L41-T43 VanDerWaalsContact C-N 3.3Å; L41-T43 PolarHBondContact O-N 3.08Å; T43-S45 PolarHBondContact O-N 3.21Å; T43-S45 PolarHBondContact OG1-OG 3.42Å
44H80.8Confident86.5Confident171 Ų17182.4 Ų82.479%0.79245%0.45SS*.THydrogen-bonded Turntrans47.629.9-175.2-66.3-69.6000113.8T40 L41 N42 L46T40-H44 PolarHBondContact O-N 3.01Å; L41-H44 PolarHBondContact O-N 3.01Å; N42-H44 VanDerWaalsContact C-N 3.31Å; H44-L46 PolarHBondContact O-N 2.96Å
45S77.3Confident86.4Confident42 Ų4282.4 Ų82.429%0.29445%0.449SS..  trans-95.791.4-174.357.70000110.6T40 T43 L47 A48T40-S45 PolarHBondContact O-N 3.41Å; T43-S45 PolarHBondContact O-N 3.21Å; T43-S45 PolarHBondContact OG1-OG 3.42Å; S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 3.43Å; S45-A48 WeakPolarHBondContact O-CB 3.33Å; S45-A48 PolarHBondContact O-N 3.05Å; S45-A48 VanDerWaalsContact OG-CB 3.22Å; S45-A48 WeakPolarHBondContact OG-CB 3.27Å
46L76Confident86.5Confident157 Ų15783.2 Ų83.282%0.82246%0.455SS*.G310 helixtrans-60.3-33.3-177.9-67.5172.3000113.3H44 A48 N49H44-L46 PolarHBondContact O-N 2.96Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 3.08Å; L46-N49 WeakPolarHBondContact O-CB 3.39Å; L46-N49 PolarHBondContact O-N 3.27Å
47L80.2Confident86.8Confident151 Ų15186 Ų8679%0.79147%0.469SS*.G310 helixtrans-67.1-32.1175.7-84156.8000112.8S45 N49 I50S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 3.43Å; L47-N49 PolarHBondContact O-N 3.41Å; L47-I50 PolarHBondContact O-N 3.44Å
48A82.2Confident86.9Confident30 Ų3091.4 Ų91.425%0.24849%0.49CS..G310 helixtrans-70.8-15.8179.900000112.3T40 S45 L46 I50 V51 P52T40-A48 HydrophobicContact CG2-CB 3.69Å; S45-A48 WeakPolarHBondContact O-CB 3.33Å; S45-A48 PolarHBondContact O-N 3.05Å; S45-A48 VanDerWaalsContact OG-CB 3.22Å; S45-A48 WeakPolarHBondContact OG-CB 3.27Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 3.08Å; A48-I50 PolarHBondContact O-N 2.74Å; A48-I50 VanDerWaalsContact O-N 3.16Å; A48-V51 WeakPolarHBondContact O-CB 3.48Å; A48-V51 PolarHBondContact O-N 3.21Å; A48-P52 WeakPolarHBondContact O-CD 3.38Å
49N81.1Confident86.9Confident69 Ų6987.7 Ų87.737%0.36947%0.473SS..G310 helixtrans-66.7-14.3179.6-12928.6000113.6T40 L46 L47 V51 P52 I53T40-N49 PolarHBondContact OG1-OD1 2.98Å; T40-N49 VanDerWaalsContact OG1-OD1 3.06Å; L46-N49 WeakPolarHBondContact O-CB 3.39Å; L46-N49 PolarHBondContact O-N 3.27Å; L47-N49 PolarHBondContact O-N 3.41Å; N49-V51 VanDerWaalsContact C-N 3.28Å; N49-P52 WeakPolarHBondContact O-CD 3.48Å; N49-I53 WeakPolarHBondContact O-CD1 3.43Å; N49-I53 WeakPolarHBondContact O-CG1 3.09Å
50I88.1Confident87.1Confident109 Ų10985 Ų8556%0.55947%0.469SS*.Hα-helixtrans-67.3-31.9171.2-60171.8000110.7L47 A48 I53 A54L47-I50 PolarHBondContact O-N 3.44Å; A48-I50 PolarHBondContact O-N 2.74Å; A48-I50 VanDerWaalsContact O-N 3.16Å; I50-I53 PolarHBondContact O-N 3.14Å; I50-A54 WeakPolarHBondContact O-CB 3.46Å; I50-A54 PolarHBondContact O-N 3.34Å
51V88.3Confident87.3Confident89 Ų8987.6 Ų87.654%0.53949%0.487SS..Hα-helixtrans-65.8-50.8-175178.20000112.3A48 N49 I53 A54 M55A48-V51 WeakPolarHBondContact O-CB 3.48Å; A48-V51 PolarHBondContact O-N 3.21Å; N49-V51 VanDerWaalsContact C-N 3.28Å; V51-I53 VanDerWaalsContact C-N 3.26Å; V51-I53 PolarHBondContact O-N 3Å; V51-A54 PolarHBondContact O-N 2.93Å; V51-M55 HydrophobicContact CG1-CG 4.45Å; V51-M55 WeakPolarHBondContact O-CB 3.49Å; V51-M55 VanDerWaalsContact O-CG 3.27Å; V51-M55 WeakPolarHBondContact O-CG 3.42Å; V51-M55 PolarHBondContact O-N 3.34Å
52P89.6Confident87.5Confident2 Ų287.9 Ų87.91%0.01349%0.485CS..Hα-helixtrans-58.3-35.8174.8-23.431.2000113.7F33 A36 T37 T40 A48 N49 L56F33-P52 HydrophobicContact CD2-CB 3.72Å; F33-P52 WeakPolarHBondContact CD2-O 3.4Å; F33-P52 HydrophobicContact CE2-CB 3.57Å; A36-P52 HydrophobicContact CB-CB 4.39Å; A36-P52 HydrophobicContact CB-CG 3.99Å; T37-P52 HydrophobicContact CG2-CB 3.65Å; T37-P52 HydrophobicContact CG2-CG 3.9Å; T40-P52 HydrophobicContact CG2-CG 4.15Å; A48-P52 WeakPolarHBondContact O-CD 3.38Å; N49-P52 WeakPolarHBondContact O-CD 3.48Å; P52-L56 PolarHBondContact O-N 3.38Å; P52-L56 VanDerWaalsContact O-N 3.12Å
53I91.2Very high87.6Confident104 Ų10482.9 Ų82.953%0.53346%0.461SS..Hα-helixtrans-69.5-48.4179.5-60.8169.5000110.2N49 I50 V51 M55 L56 V57N49-I53 WeakPolarHBondContact O-CD1 3.43Å; N49-I53 WeakPolarHBondContact O-CG1 3.09Å; I50-I53 PolarHBondContact O-N 3.14Å; V51-I53 VanDerWaalsContact C-N 3.26Å; V51-I53 PolarHBondContact O-N 3Å; I53-M55 VanDerWaalsContact C-N 3.3Å; I53-M55 PolarHBondContact O-N 3.09Å; I53-L56 WeakPolarHBondContact O-CB 3.47Å; I53-L56 PolarHBondContact O-N 3.29Å; I53-L56 VanDerWaalsContact O-N 3.09Å; I53-V57 WeakPolarHBondContact O-CG2 3.46Å; I53-V57 PolarHBondContact O-N 2.91Å; I53-V57 VanDerWaalsContact O-N 3.09Å
54A92.8Very high88Confident39 Ų3981.3 Ų81.332%0.32246%0.458SS..Hα-helixtrans-58.7-42.7176.600000111.6I50 V51 L56 V57 F58I50-A54 WeakPolarHBondContact O-CB 3.46Å; I50-A54 PolarHBondContact O-N 3.34Å; V51-A54 PolarHBondContact O-N 2.93Å; A54-L56 VanDerWaalsContact C-N 3.29Å; A54-L56 PolarHBondContact O-N 3.34Å; A54-V57 PolarHBondContact O-N 3.39Å; A54-F58 WeakPolarHBondContact O-CD2 3.42Å; A54-F58 PolarHBondContact O-N 2.97Å; A54-F58 VanDerWaalsContact O-N 3.14Å
55M92.3Very high88.5Confident84 Ų8477.5 Ų77.541%0.41445%0.446SS..Hα-helixtrans-56.8-41.1174.1-75.2-70.6-65.700112.5V51 I53 F58 A59V51-M55 HydrophobicContact CG1-CG 4.45Å; V51-M55 WeakPolarHBondContact O-CB 3.49Å; V51-M55 VanDerWaalsContact O-CG 3.27Å; V51-M55 WeakPolarHBondContact O-CG 3.42Å; V51-M55 PolarHBondContact O-N 3.34Å; I53-M55 VanDerWaalsContact C-N 3.3Å; I53-M55 PolarHBondContact O-N 3.09Å; M55-F58 PolarHBondContact O-N 3.09Å; M55-A59 WeakPolarHBondContact O-CB 3.47Å; M55-A59 PolarHBondContact O-N 2.92Å
56L92.2Very high89Confident91 Ų9176.1 Ų76.148%0.47644%0.439SS..Hα-helixtrans-69-37.5-179.8-150.8161.3000111.6F33 P52 I53 A54 A59 A60F33-L56 HydrophobicContact CD2-CB 4.45Å; F33-L56 HydrophobicContact CD2-CD1 3.85Å; F33-L56 HydrophobicContact CE1-CD1 4.44Å; F33-L56 HydrophobicContact CE2-CD1 3.74Å; F33-L56 HydrophobicContact CG-CD1 4.25Å; F33-L56 HydrophobicContact CZ-CD1 4.05Å; P52-L56 PolarHBondContact O-N 3.38Å; P52-L56 VanDerWaalsContact O-N 3.12Å; I53-L56 WeakPolarHBondContact O-CB 3.47Å; I53-L56 PolarHBondContact O-N 3.29Å; I53-L56 VanDerWaalsContact O-N 3.09Å; A54-L56 VanDerWaalsContact C-N 3.29Å; A54-L56 PolarHBondContact O-N 3.34Å; L56-A59 WeakPolarHBondContact O-CB 3.4Å; L56-A59 PolarHBondContact O-N 3.39Å; L56-A60 PolarHBondContact O-N 3.46Å
57V95.1Very high89.6Confident86 Ų8672.4 Ų72.452%0.52142%0.419SS..Hα-helixtrans-61.6-48.7174.9178.50000110.7I53 A54 A59 A60 C61I53-V57 WeakPolarHBondContact O-CG2 3.46Å; I53-V57 PolarHBondContact O-N 2.91Å; I53-V57 VanDerWaalsContact O-N 3.09Å; A54-V57 PolarHBondContact O-N 3.39Å; V57-A59 VanDerWaalsContact C-N 3.32Å; V57-A59 PolarHBondContact O-N 2.97Å; V57-A60 PolarHBondContact O-N 2.77Å; V57-C61 PolarHBondContact O-N 3.36Å; V57-C61 VanDerWaalsContact O-N 3.09Å; V57-C61 PolarHBondContact O-SG 3.24Å
58F92.4Very high90.1Very high143 Ų14368.2 Ų68.263%0.62741%0.407SS*.Hα-helixtrans-63-38.7177.1-75.3-67.2000112.3A54 M55 A60 C61 E62A54-F58 WeakPolarHBondContact O-CD2 3.42Å; A54-F58 PolarHBondContact O-N 2.97Å; A54-F58 VanDerWaalsContact O-N 3.14Å; M55-F58 PolarHBondContact O-N 3.09Å; F58-A60 VanDerWaalsContact C-N 3.33Å; F58-A60 PolarHBondContact O-N 3.3Å; F58-C61 WeakPolarHBondContact O-CB 3.33Å; F58-C61 PolarHBondContact O-N 3.12Å; F58-E62 PolarHBondContact O-N 2.97Å
59A91.9Very high90.3Very high17 Ų1771.6 Ų71.614%0.1442%0.42CS..Hα-helixtrans-57.5-45.3174.500000112.4M29 M55 L56 V57 C61 E62 A63M29-A59 HydrophobicContact CB-CB 3.95Å; M29-A59 HydrophobicContact CE-CB 3.35Å; M29-A59 HydrophobicContact CG-CB 3.93Å; M55-A59 WeakPolarHBondContact O-CB 3.47Å; M55-A59 PolarHBondContact O-N 2.92Å; L56-A59 WeakPolarHBondContact O-CB 3.4Å; L56-A59 PolarHBondContact O-N 3.39Å; V57-A59 VanDerWaalsContact C-N 3.32Å; V57-A59 PolarHBondContact O-N 2.97Å; A59-C61 VanDerWaalsContact C-N 3.32Å; A59-C61 PolarHBondContact O-N 3.44Å; A59-E62 PolarHBondContact O-N 3.03Å; A59-A63 WeakPolarHBondContact O-CB 3.21Å; A59-A63 PolarHBondContact O-N 3.41Å
60A91.6Very high90.5Very high59 Ų5968.9 Ų68.949%0.48841%0.405SS..Hα-helixtrans-65.5-36.7178.300000111.9L56 V57 F58 A63 A64L56-A60 PolarHBondContact O-N 3.46Å; V57-A60 PolarHBondContact O-N 2.77Å; F58-A60 VanDerWaalsContact C-N 3.33Å; F58-A60 PolarHBondContact O-N 3.3Å; A60-A63 PolarHBondContact O-N 2.96Å; A60-A64 WeakPolarHBondContact O-CB 3.16Å; A60-A64 PolarHBondContact O-N 3.29Å
61C92.4Very high90.4Very high69 Ų6967.5 Ų67.547%0.46640%0.402SS..Hα-helixtrans-64-45.6174.5-650000112V57 F58 A59 A64 V65V57-C61 PolarHBondContact O-N 3.36Å; V57-C61 VanDerWaalsContact O-N 3.09Å; V57-C61 PolarHBondContact O-SG 3.24Å; F58-C61 WeakPolarHBondContact O-CB 3.33Å; F58-C61 PolarHBondContact O-N 3.12Å; A59-C61 VanDerWaalsContact C-N 3.32Å; A59-C61 PolarHBondContact O-N 3.44Å; C61-A64 PolarHBondContact O-N 3.05Å; C61-V65 WeakPolarHBondContact O-CG2 3.22Å; C61-V65 PolarHBondContact O-N 3.16Å
62E90.1Very high90.2Very high116 Ų11665.8 Ų65.854%0.54239%0.394SS..Hα-helixtrans-62-43.1176.4-71.4-178.2172.900111.8F58 A59 A64 V65 G66F58-E62 PolarHBondContact O-N 2.97Å; A59-E62 PolarHBondContact O-N 3.03Å; E62-A64 PolarHBondContact O-N 3.44Å; E62-V65 PolarHBondContact O-N 2.89Å; E62-G66 PolarHBondContact O-N 3.45Å
63A90.4Very high89.9Confident20 Ų2067 Ų6717%0.16540%0.4CS..Hα-helixtrans-62.6-41.9176.400000112.2A59 A60 V65 G66 L67A59-A63 WeakPolarHBondContact O-CB 3.21Å; A59-A63 PolarHBondContact O-N 3.41Å; A60-A63 PolarHBondContact O-N 2.96Å; A63-V65 PolarHBondContact O-N 3Å; A63-G66 PolarHBondContact O-N 3.5Å; A63-L67 WeakPolarHBondContact O-CG 3.48Å; A63-L67 PolarHBondContact O-N 2.88Å
64A91.4Very high89.4Confident59 Ų5963.6 Ų63.649%0.48839%0.385SS..Hα-helixtrans-62.1-43.2176.800000112.2A60 C61 E62 L67 A68A60-A64 WeakPolarHBondContact O-CB 3.16Å; A60-A64 PolarHBondContact O-N 3.29Å; C61-A64 PolarHBondContact O-N 3.05Å; E62-A64 PolarHBondContact O-N 3.44Å; A64-L67 PolarHBondContact O-N 3.37Å; A64-A68 WeakPolarHBondContact O-CB 3.36Å; A64-A68 PolarHBondContact O-N 3.31Å
65V91.2Very high89Confident91 Ų9167.9 Ų67.955%0.55240%0.403SS*.Hα-helixtrans-66.5-41.3175.3176.20000110.8C61 E62 A63 L67 A68 L69C61-V65 WeakPolarHBondContact O-CG2 3.22Å; C61-V65 PolarHBondContact O-N 3.16Å; E62-V65 PolarHBondContact O-N 2.89Å; A63-V65 PolarHBondContact O-N 3Å; V65-L67 PolarHBondContact O-N 3.05Å; V65-A68 PolarHBondContact O-N 3.3Å; V65-L69 HydrophobicContact CG1-CD1 4.44Å; V65-L69 WeakPolarHBondContact O-CG 3.46Å; V65-L69 PolarHBondContact O-N 3.47Å
66G89.5Confident88.3Confident13 Ų1368.7 Ų68.713%0.13441%0.413CS..Hα-helixtrans-60-42.4176.300000113.1E62 A63 L69 L70E62-G66 PolarHBondContact O-N 3.45Å; A63-G66 PolarHBondContact O-N 3.5Å; G66-L69 PolarHBondContact O-N 3.32Å; G66-L70 PolarHBondContact O-N 3.05Å
67L88Confident87.4Confident79 Ų7968.1 Ų68.141%0.41441%0.405SS..Hα-helixtrans-67-41.2174.5-74.8163.4000112.2M19 L22 A63 A64 V65 L69 L70 V71M19-L67 HydrophobicContact SD-CD2 4.41Å; L22-L67 HydrophobicContact CD1-CD2 4.22Å; L22-L67 HydrophobicContact CD1-CG 4.48Å; A63-L67 WeakPolarHBondContact O-CG 3.48Å; A63-L67 PolarHBondContact O-N 2.88Å; A64-L67 PolarHBondContact O-N 3.37Å; V65-L67 PolarHBondContact O-N 3.05Å; L67-L69 VanDerWaalsContact C-N 3.3Å; L67-L69 PolarHBondContact O-N 3.14Å; L67-L70 WeakPolarHBondContact O-CB 3.46Å; L67-L70 PolarHBondContact O-N 3.05Å; L67-L70 VanDerWaalsContact O-N 3.16Å; L67-V71 WeakPolarHBondContact O-CG2 3.36Å; L67-V71 PolarHBondContact O-N 3.26Å
68A89.8Confident86.2Confident64 Ų6466.9 Ų66.953%0.52941%0.409SS..Hα-helixtrans-60.8-40.6175.900000111.8A64 V65 V71 S72A64-A68 WeakPolarHBondContact O-CB 3.36Å; A64-A68 PolarHBondContact O-N 3.31Å; V65-A68 PolarHBondContact O-N 3.3Å; A68-V71 PolarHBondContact O-N 2.95Å; A68-S72 PolarHBondContact O-N 3.32Å; A68-S72 VanDerWaalsContact O-N 3.11Å
69L86.1Confident85Confident100 Ų10064.6 Ų64.652%0.52440%0.403SS..Hα-helixtrans-63.4-43.1173-74.4172.7000111.7V65 G66 L67 V71 S72 I73V65-L69 HydrophobicContact CG1-CD1 4.44Å; V65-L69 WeakPolarHBondContact O-CG 3.46Å; V65-L69 PolarHBondContact O-N 3.47Å; G66-L69 PolarHBondContact O-N 3.32Å; L67-L69 VanDerWaalsContact C-N 3.3Å; L67-L69 PolarHBondContact O-N 3.14Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 PolarHBondContact O-N 3.02Å; L69-S72 WeakPolarHBondContact O-CB 3.36Å; L69-S72 PolarHBondContact O-N 2.83Å; L69-S72 PolarHBondContact O-OG 3.22Å; L69-I73 WeakPolarHBondContact O-CG1 3.42Å; L69-I73 PolarHBondContact O-N 2.86Å
70L86.1Confident83.6Confident13 Ų1366.3 Ų66.37%0.06841%0.41CS..Hα-helixtrans-59.1-43.7177.4-166.1155.6000111.6L18 M19 L22 G66 L67 S72 I73 S74L18-L70 HydrophobicContact CB-CD1 4.1Å; L18-L70 HydrophobicContact CD2-CB 4.02Å; L18-L70 HydrophobicContact CD2-CD1 3.73Å; L18-L70 HydrophobicContact CD2-CG 4.01Å; M19-L70 HydrophobicContact CB-CD1 4.46Å; M19-L70 HydrophobicContact CG-CD1 3.67Å; M19-L70 HydrophobicContact SD-CD1 3.23Å; M19-L70 WeakPolarHBondContact SD-CD1 3.47Å; M19-L70 HydrophobicContact SD-CD2 4.15Å; M19-L70 HydrophobicContact SD-CG 4.34Å; L22-L70 HydrophobicContact CD1-CD1 3.66Å; G66-L70 PolarHBondContact O-N 3.05Å; L67-L70 WeakPolarHBondContact O-CB 3.46Å; L67-L70 PolarHBondContact O-N 3.05Å; L67-L70 VanDerWaalsContact O-N 3.16Å; L70-S72 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 3.26Å; L70-I73 PolarHBondContact O-N 3.23Å; L70-I73 VanDerWaalsContact O-N 3.17Å; L70-S74 PolarHBondContact O-N 3.34Å; L70-S74 PolarHBondContact O-OG 3.46Å
71V86.8Confident82.3Confident79 Ų7968 Ų6848%0.47940%0.404SS..Hα-helixtrans-61.4-36.9174.9174.70000111.7L67 A68 L69 S74 N75L67-V71 WeakPolarHBondContact O-CG2 3.36Å; L67-V71 PolarHBondContact O-N 3.26Å; A68-V71 PolarHBondContact O-N 2.95Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 PolarHBondContact O-N 3.02Å; V71-S74 WeakPolarHBondContact CA-OG 3.46Å; V71-S74 PolarHBondContact O-OG 2.87Å; V71-N75 WeakPolarHBondContact O-CB 3.48Å; V71-N75 PolarHBondContact O-N 2.99Å; V71-N75 PolarHBondContact O-ND2 3.12Å; V71-N75 VanDerWaalsContact O-ND2 3.12Å
72S84.3Confident80.8Confident53 Ų5367 Ų6737%0.37140%0.396SS..Hα-helixtrans-68.3-35.4175.876.40000113A68 L69 L70 T76A68-S72 PolarHBondContact O-N 3.32Å; A68-S72 VanDerWaalsContact O-N 3.11Å; L69-S72 WeakPolarHBondContact O-CB 3.36Å; L69-S72 PolarHBondContact O-N 2.83Å; L69-S72 PolarHBondContact O-OG 3.22Å; L70-S72 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 3.26Å; S72-T76 WeakPolarHBondContact O-CG2 3.32Å; S72-T76 PolarHBondContact O-N 3.34Å; S72-T76 PolarHBondContact O-OG1 3.02Å
73I81.6Confident79.4Confident27 Ų2768.5 Ų68.514%0.13840%0.403CS..Hα-helixtrans-71-43.1176.6-65.2164.8000109.9L18 L69 L70 N75 T76 Y77 L85L18-I73 HydrophobicContact CD1-CD1 4.27Å; L69-I73 WeakPolarHBondContact O-CG1 3.42Å; L69-I73 PolarHBondContact O-N 2.86Å; L70-I73 PolarHBondContact O-N 3.23Å; L70-I73 VanDerWaalsContact O-N 3.17Å; I73-N75 VanDerWaalsContact C-N 3.33Å; I73-N75 PolarHBondContact O-N 2.95Å; I73-T76 WeakPolarHBondContact CA-OG1 3.27Å; I73-T76 PolarHBondContact O-N 3.35Å; I73-T76 PolarHBondContact O-OG1 3.12Å; I73-Y77 HydrophobicContact CG2-CD2 4.11Å; I73-Y77 PolarHBondContact O-N 3.21Å; I73-L85 HydrophobicContact CD1-CD1 4.33Å
74S82.3Confident78Confident33 Ų3370.5 Ų70.523%0.23141%0.411CS..Hα-helixtrans-66.1-35.717871.30000111.9L70 V71 T76 G78 D80L70-S74 PolarHBondContact O-N 3.34Å; L70-S74 PolarHBondContact O-OG 3.46Å; V71-S74 WeakPolarHBondContact CA-OG 3.46Å; V71-S74 PolarHBondContact O-OG 2.87Å; S74-T76 VanDerWaalsContact C-N 3.35Å; S74-T76 PolarHBondContact O-N 3.48Å; S74-G78 WeakPolarHBondContact O-CA 3.3Å; S74-G78 PolarHBondContact O-N 3.42Å; S74-D80 WeakPolarHBondContact CB-OD1 3.43Å
75N83.2Confident76.6Confident129 Ų12970.9 Ų70.969%0.6940%0.404SS*.Hα-helixtrans-68.7-29.2174-75.3-29.2000113.7V71 I73V71-N75 WeakPolarHBondContact O-CB 3.48Å; V71-N75 PolarHBondContact O-N 2.99Å; V71-N75 PolarHBondContact O-ND2 3.12Å; V71-N75 VanDerWaalsContact O-ND2 3.12Å; I73-N75 VanDerWaalsContact C-N 3.33Å; I73-N75 PolarHBondContact O-N 2.95Å
76T79.1Confident75.5Confident102 Ų10270.8 Ų70.863%0.62640%0.401SS*.Hα-helixtrans-88.7-36.8-177.843.80000113.1S72 I73 S74S72-T76 WeakPolarHBondContact O-CG2 3.32Å; S72-T76 PolarHBondContact O-N 3.34Å; S72-T76 PolarHBondContact O-OG1 3.02Å; I73-T76 WeakPolarHBondContact CA-OG1 3.27Å; I73-T76 PolarHBondContact O-N 3.35Å; I73-T76 PolarHBondContact O-OG1 3.12Å; S74-T76 VanDerWaalsContact C-N 3.35Å; S74-T76 PolarHBondContact O-N 3.48Å
77Y73.4Confident74.5Confident78 Ų7876.2 Ų76.231%0.30643%0.426SS..Hα-helixtrans-113.2-4.1-175.8-62.8-80.2000114.4I73 L79 N84 L85 L87I73-Y77 HydrophobicContact CG2-CD2 4.11Å; I73-Y77 PolarHBondContact O-N 3.21Å; Y77-L79 PolarHBondContact O-N 3.42Å; Y77-N84 HydrophobicContact CD1-CB 3.72Å; Y77-N84 HydrophobicContact CE1-CB 4.18Å; Y77-N84 WeakPolarHBondContact CE1-O 3.42Å; Y77-N84 HydrophobicContact CG-CB 3.9Å; Y77-L85 HydrophobicContact CE2-CD2 3.91Å; Y77-L87 HydrophobicContact CE1-CD1 4.39Å; Y77-L87 WeakPolarHBondContact OH-CD1 3.38Å
78G68.6Low73.7Confident60 Ų6080.1 Ų80.162%0.61945%0.446SS*.SBendtrans70.4-7.2-179.100000115.2S74S74-G78 WeakPolarHBondContact O-CA 3.3Å; S74-G78 PolarHBondContact O-N 3.42Å
79L66.8Low72.6Confident96 Ų9684.6 Ų84.650%0.50346%0.456SS..SBendtrans-145.9143-174.1-64.4170.4000110.9Y77 Y81Y77-L79 PolarHBondContact O-N 3.42Å; L79-Y81 HydrophobicContact CB-CD2 3.69Å; L79-Y81 HydrophobicContact CB-CE2 4.23Å; L79-Y81 HydrophobicContact CD1-CD2 3.99Å; L79-Y81 HydrophobicContact CD1-CE2 4.1Å; L79-Y81 HydrophobicContact CD2-CE2 4.49Å; L79-Y81 HydrophobicContact CG-CD2 4.35Å; L79-Y81 PolarHBondContact O-N 3.42Å
80D63.4Low71.4Confident52 Ų5288.1 Ų88.128%0.27849%0.487SS..  trans-77.725.3-176.8-58.2-27.5000114.5L18 S74L18-D80 PolarHBondContact N-O 3.06Å; S74-D80 WeakPolarHBondContact CB-OD1 3.43Å
81Y64.4Low70.6Confident95 Ų9591.9 Ų91.937%0.37351%0.508SS..BIsolated β-bridgetrans-85.8122.6-174.7-72.3-62.1000112.1S16 H17 L79 H83 N84S16-Y81 WeakPolarHBondContact O-CA 3.5Å; S16-Y81 WeakPolarHBondContact O-CD1 3.21Å; H17-Y81 AromaticContact CE1-CE1 3.39Å; H17-Y81 WeakPolarHBondContact CE1-CE1 3.4Å; H17-Y81 AromaticContact CE1-CZ 3.72Å; H17-Y81 AromaticContact NE2-CE1 3.81Å; L79-Y81 HydrophobicContact CB-CD2 3.69Å; L79-Y81 HydrophobicContact CB-CE2 4.23Å; L79-Y81 HydrophobicContact CD1-CD2 3.99Å; L79-Y81 HydrophobicContact CD1-CE2 4.1Å; L79-Y81 HydrophobicContact CD2-CE2 4.49Å; L79-Y81 HydrophobicContact CG-CD2 4.35Å; L79-Y81 PolarHBondContact O-N 3.42Å; Y81-H83 PolarHBondContact O-N 2.94Å; Y81-N84 PolarHBondContact O-N 3.02Å
82V61.3Low69.8Low48 Ų4892.6 Ų92.629%0.29151%0.51SS..G310 helixtrans-61.3-28178.3-171.70000112.3S16 L18 N84 L85S16-V82 PolarHBondContact O-N 2.92Å; L18-V82 HydrophobicContact CB-CG2 4.33Å; L18-V82 HydrophobicContact CD1-CG2 4.07Å; V82-N84 PolarHBondContact O-N 3.42Å; V82-L85 PolarHBondContact O-N 3.06Å
83H60.3Low69Low148 Ų14894.8 Ų94.869%0.68552%0.518SS*.G310 helixtrans-65.8-18.2-179.2-165.9-65000113.8Y81 L85Y81-H83 PolarHBondContact O-N 2.94Å; H83-L85 PolarHBondContact O-N 2.93Å
84N59.9Low68.2Low62 Ų6298.8 Ų98.833%0.33254%0.54SS..G310 helixtrans-76.7-10.4178.7-77.36.7000113.2Y77 Y81 V82 N86Y77-N84 HydrophobicContact CD1-CB 3.72Å; Y77-N84 HydrophobicContact CE1-CB 4.18Å; Y77-N84 WeakPolarHBondContact CE1-O 3.42Å; Y77-N84 HydrophobicContact CG-CB 3.9Å; Y81-N84 PolarHBondContact O-N 3.02Å; V82-N84 PolarHBondContact O-N 3.42Å; N84-N86 PolarHBondContact O-N 3.38Å
85L62.6Low67.4Low67 Ų67102.9 Ų102.935%0.35156%0.559SS.*G310 helixtrans-83.922.3-178.9-63.4168.9000114.3I73 Y77 V82 H83 L87I73-L85 HydrophobicContact CD1-CD1 4.33Å; Y77-L85 HydrophobicContact CE2-CD2 3.91Å; V82-L85 PolarHBondContact O-N 3.06Å; H83-L85 PolarHBondContact O-N 2.93Å; L85-L87 VanDerWaalsContact C-N 3.26Å; L85-L87 PolarHBondContact O-N 3.22Å
86N68.8Low66.3Low89 Ų89101.1 Ų101.148%0.47655%0.551SS.*G310 helixtrans-78.52.1-178.4-891.7000115.2N84 L88 Q89N84-N86 PolarHBondContact O-N 3.38Å; N86-L88 PolarHBondContact O-N 3.38Å; N86-Q89 WeakPolarHBondContact O-CB 3.4Å; N86-Q89 PolarHBondContact O-N 3.41Å
87L67.9Low65.4Low126 Ų126101.1 Ų101.166%0.6655%0.545SS*.G310 helixtrans-66.2-21.1179.8-79.4166.4000114Y77 L85 Q89Y77-L87 HydrophobicContact CE1-CD1 4.39Å; Y77-L87 WeakPolarHBondContact OH-CD1 3.38Å; L85-L87 VanDerWaalsContact C-N 3.26Å; L85-L87 PolarHBondContact O-N 3.22Å; L87-Q89 VanDerWaalsContact C-N 3.27Å; L87-Q89 PolarHBondContact O-N 2.98Å
88L71.3Confident64.8Low161 Ų161102.8 Ų102.884%0.84356%0.564SS**G310 helixtrans-83.31.5177.5-76158.5000113.6N86 C90N86-L88 PolarHBondContact O-N 3.38Å; L88-C90 VanDerWaalsContact C-N 3.27Å
89Q66.9Low64.5Low159 Ų159106.4 Ų106.474%0.74356%0.559SS**G310 helixtrans-84-3.1175.3-158.5177.5-15.500112.7N86 L87N86-Q89 WeakPolarHBondContact O-CB 3.4Å; N86-Q89 PolarHBondContact O-N 3.41Å; L87-Q89 VanDerWaalsContact C-N 3.27Å; L87-Q89 PolarHBondContact O-N 2.98Å
90C59.9Low64.3Low174 Ų174107.4 Ų107.4100%1.17656%0.564SS**  trans-83.70170-65.70000110.9L88L88-C90 VanDerWaalsContact C-N 3.27Å

Retrieved 90 of 90 residues in 62.2 ms (Link to these results)