A0A075X8G3_HUMAN Loading...

NADH-ubiquinone oxidoreductase chain 2

AlphaFold DB , UniProt , Accession A0A075X8G3, Species HUMAN (Homo sapiens, Human), Gene ND2, Length 92 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1T74.8Confident88.5Confident134 Ų13478.3 Ų78.382%0.82245%0.45SS*.  0-45047.60000112.2F3 A4 G5 A28T1-F3 VanDerWaalsContact C-N 3.31Å; T1-F3 PolarHBondContact O-N 3.27Å; T1-A4 WeakPolarHBondContact O-CA 3.4Å; T1-A4 WeakPolarHBondContact O-CB 3.48Å; T1-A4 PolarHBondContact O-N 3.38Å; T1-G5 PolarHBondContact O-N 3.14Å; T1-A28 VanDerWaalsContact OG1-CB 3.23Å; T1-A28 WeakPolarHBondContact OG1-CB 3.5Å
2I84.7Confident88.6Confident66 Ų6673.6 Ų73.634%0.33843%0.425SS..Hα-helixtrans-51.5-46176.1-56172.5000112.7A4 G5 T6 N25 A28 F29 V32I2-A4 VanDerWaalsContact C-N 3.3Å; I2-A4 PolarHBondContact O-N 3.18Å; I2-G5 PolarHBondContact O-N 2.67Å; I2-T6 PolarHBondContact O-N 3.37Å; I2-T6 VanDerWaalsContact O-N 3.09Å; I2-T6 PolarHBondContact O-OG1 2.64Å; I2-N25 PolarHBondContact O-OD1 3.01Å; I2-A28 HydrophobicContact CD1-CB 4.5Å; I2-A28 HydrophobicContact CG1-CB 3.52Å; I2-F29 HydrophobicContact CD1-CD2 4.24Å; I2-V32 HydrophobicContact CD1-CG2 4.27Å
3F88.9Confident88.5Confident162 Ų16274.7 Ų74.771%0.71144%0.44SS*.Hα-helixtrans-62.2-37.6176.9-175.5-99.3000112.8T1 T6 L7T1-F3 VanDerWaalsContact C-N 3.31Å; T1-F3 PolarHBondContact O-N 3.27Å; F3-T6 WeakPolarHBondContact CA-OG1 3.33Å; F3-T6 PolarHBondContact O-OG1 2.87Å; F3-L7 HydrophobicContact CE1-CD2 4.41Å; F3-L7 VanDerWaalsContact O-CB 3.27Å; F3-L7 WeakPolarHBondContact O-CB 3.48Å; F3-L7 PolarHBondContact O-N 3.11Å
4A89.1Confident88.6Confident45 Ų4573.4 Ų73.437%0.37243%0.427SS..Hα-helixtrans-71.3-38.8177.600000111.8T1 I2 L7 I8T1-A4 WeakPolarHBondContact O-CA 3.4Å; T1-A4 WeakPolarHBondContact O-CB 3.48Å; T1-A4 PolarHBondContact O-N 3.38Å; I2-A4 VanDerWaalsContact C-N 3.3Å; I2-A4 PolarHBondContact O-N 3.18Å; A4-L7 PolarHBondContact O-N 2.86Å; A4-I8 WeakPolarHBondContact O-CB 3.29Å; A4-I8 WeakPolarHBondContact O-CD1 3.44Å; A4-I8 WeakPolarHBondContact O-CG1 3.36Å; A4-I8 PolarHBondContact O-N 3.33Å
5G88.8Confident88.7Confident0 Ų069.3 Ų69.30%040%0.402CS..Hα-helixtrans-62.6-48.4177.600000112T1 I2 L7 I8 T9 N25T1-G5 PolarHBondContact O-N 3.14Å; I2-G5 PolarHBondContact O-N 2.67Å; G5-L7 PolarHBondContact O-N 3.29Å; G5-I8 PolarHBondContact O-N 3.47Å; G5-T9 WeakPolarHBondContact O-CG2 3.5Å; G5-T9 PolarHBondContact O-N 3.03Å; G5-T9 PolarHBondContact O-OG1 2.88Å; G5-N25 VanDerWaalsContact CA-OD1 3.32Å; G5-N25 WeakPolarHBondContact CA-OD1 3.43Å
6T90.9Very high88.7Confident63 Ų6370.8 Ų70.839%0.38740%0.402SS..Hα-helixtrans-60.4-41.6173.146.90000112.9I2 F3 T9 A10 N25I2-T6 PolarHBondContact O-N 3.37Å; I2-T6 VanDerWaalsContact O-N 3.09Å; I2-T6 PolarHBondContact O-OG1 2.64Å; F3-T6 WeakPolarHBondContact CA-OG1 3.33Å; F3-T6 PolarHBondContact O-OG1 2.87Å; T6-T9 WeakPolarHBondContact CA-OG1 3.49Å; T6-T9 PolarHBondContact O-N 2.95Å; T6-T9 PolarHBondContact O-OG1 2.95Å; T6-A10 PolarHBondContact O-N 3.32Å; T6-A10 VanDerWaalsContact O-N 3.14Å; T6-N25 VanDerWaalsContact CG2-ND2 3.29Å; T6-N25 WeakPolarHBondContact CG2-ND2 3.02Å; T6-N25 PolarHBondContact N-ND2 3.06Å; T6-N25 PolarHBondContact N-OD1 3.33Å; T6-N25 VanDerWaalsContact N-OD1 3.14Å
7L93.1Very high88.9Confident80 Ų8073.5 Ų73.542%0.41941%0.408SS..Hα-helixtrans-64.5-42176.6-172.865.9000112F3 A4 G5 T9 A10 L11F3-L7 HydrophobicContact CE1-CD2 4.41Å; F3-L7 VanDerWaalsContact O-CB 3.27Å; F3-L7 WeakPolarHBondContact O-CB 3.48Å; F3-L7 PolarHBondContact O-N 3.11Å; A4-L7 PolarHBondContact O-N 2.86Å; G5-L7 PolarHBondContact O-N 3.29Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 3.45Å; L7-A10 PolarHBondContact O-N 3.09Å; L7-A10 VanDerWaalsContact O-N 3.17Å; L7-L11 HydrophobicContact CD1-CD1 3.89Å; L7-L11 HydrophobicContact CD1-CG 4.16Å; L7-L11 HydrophobicContact CD2-CD1 4.3Å; L7-L11 HydrophobicContact CG-CD1 3.73Å; L7-L11 HydrophobicContact CG-CG 4.32Å; L7-L11 WeakPolarHBondContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CG 3.39Å; L7-L11 PolarHBondContact O-N 2.92Å
8I91.4Very high89Confident63 Ų6370.1 Ų70.132%0.32339%0.39SS..Hα-helixtrans-61.2-43177.4-73.3165.3000110.6A4 G5 A10 L11 S12 M24A4-I8 WeakPolarHBondContact O-CB 3.29Å; A4-I8 WeakPolarHBondContact O-CD1 3.44Å; A4-I8 WeakPolarHBondContact O-CG1 3.36Å; A4-I8 PolarHBondContact O-N 3.33Å; G5-I8 PolarHBondContact O-N 3.47Å; I8-A10 VanDerWaalsContact C-N 3.3Å; I8-A10 PolarHBondContact O-N 3.31Å; I8-L11 PolarHBondContact O-N 3.38Å; I8-S12 WeakPolarHBondContact O-CB 3.45Å; I8-S12 PolarHBondContact O-N 2.96Å; I8-S12 PolarHBondContact O-OG 3.47Å; I8-M24 HydrophobicContact CB-CE 4.48Å; I8-M24 HydrophobicContact CD1-CE 3.33Å; I8-M24 HydrophobicContact CD1-SD 4.48Å; I8-M24 HydrophobicContact CG1-CE 4.48Å; I8-M24 HydrophobicContact CG2-CE 4.44Å
9T90.7Very high89.2Confident36 Ų3669.2 Ų69.222%0.22138%0.38CS..Hα-helixtrans-62.5-35175.653.10000113.6G5 T6 L7 S12 T18 L22G5-T9 WeakPolarHBondContact O-CG2 3.5Å; G5-T9 PolarHBondContact O-N 3.03Å; G5-T9 PolarHBondContact O-OG1 2.88Å; T6-T9 WeakPolarHBondContact CA-OG1 3.49Å; T6-T9 PolarHBondContact O-N 2.95Å; T6-T9 PolarHBondContact O-OG1 2.95Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 3.45Å; T9-S12 PolarHBondContact O-OG 3.14Å; T9-S12 VanDerWaalsContact O-OG 3.14Å; T9-T18 WeakPolarHBondContact CG2-O 3.19Å; T9-L22 HydrophobicContact CG2-CD2 4.01Å; T9-L22 HydrophobicContact CG2-CG 3.85Å
10A89.3Confident89.5Confident81 Ų8167.8 Ų67.867%0.66937%0.373SS*.Hα-helixtrans-77.5-32.5-178.500000112.5T6 L7 I8T6-A10 PolarHBondContact O-N 3.32Å; T6-A10 VanDerWaalsContact O-N 3.14Å; L7-A10 PolarHBondContact O-N 3.09Å; L7-A10 VanDerWaalsContact O-N 3.17Å; I8-A10 VanDerWaalsContact C-N 3.3Å; I8-A10 PolarHBondContact O-N 3.31Å
11L92Very high89.6Confident131 Ų13164.5 Ų64.569%0.68636%0.355SS*.Hα-helixtrans-90.2-17.7-177.7-64.7176.7000113.3L7 I8 S13L7-L11 HydrophobicContact CD1-CD1 3.89Å; L7-L11 HydrophobicContact CD1-CG 4.16Å; L7-L11 HydrophobicContact CD2-CD1 4.3Å; L7-L11 HydrophobicContact CG-CD1 3.73Å; L7-L11 HydrophobicContact CG-CG 4.32Å; L7-L11 WeakPolarHBondContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CG 3.39Å; L7-L11 PolarHBondContact O-N 2.92Å; I8-L11 PolarHBondContact O-N 3.38Å; L11-S13 PolarHBondContact O-N 3.38Å
12S89.3Confident90.5Very high22 Ų2261.5 Ų61.515%0.15433%0.334CS..  trans-74.2126.6-175.653.60000112.6I8 T9 T18I8-S12 WeakPolarHBondContact O-CB 3.45Å; I8-S12 PolarHBondContact O-N 2.96Å; I8-S12 PolarHBondContact O-OG 3.47Å; T9-S12 PolarHBondContact O-OG 3.14Å; T9-S12 VanDerWaalsContact O-OG 3.14Å; S12-T18 WeakPolarHBondContact OG-CA 3.32Å; S12-T18 PolarHBondContact OG-N 3.02Å; S12-T18 PolarHBondContact OG-OG1 3.21Å
13S87.9Confident90.9Very high88 Ų8860 Ų6062%0.61533%0.325SS*.  trans-95.7-6.6169.257.10000113.5L11 T74 M75L11-S13 PolarHBondContact O-N 3.38Å; S13-T74 CarbonylContact O-C 3.55Å; S13-T74 WeakPolarHBondContact O-CA 3.45Å; S13-M75 WeakPolarHBondContact O-CG 3.38Å; S13-M75 PolarHBondContact O-N 3.33Å
14H90.1Very high91.2Very high57 Ų5755.4 Ų55.426%0.26431%0.307SS..BIsolated β-bridgetrans-111.8128.2-178.3-172.9-67.2000109.8F16 F17 T18 W73H14-F16 VanDerWaalsContact C-N 3.26Å; H14-F16 VanDerWaalsContact CE1-CB 3.44Å; H14-F16 WeakPolarHBondContact CE1-CB 3.11Å; H14-F16 VanDerWaalsContact ND1-CB 3.31Å; H14-F16 WeakPolarHBondContact ND1-CB 3.47Å; H14-F16 PolarHBondContact ND1-N 3.17Å; H14-F16 VanDerWaalsContact ND1-N 3.15Å; H14-F16 PolarHBondContact O-N 3.28Å; H14-F16 VanDerWaalsContact O-N 3.14Å; H14-F17 HydrophobicContact CB-CD2 3.93Å; H14-F17 PolarHBondContact O-N 3.19Å; H14-T18 PolarHBondContact O-N 3.01Å; H14-T18 PolarHBondContact O-OG1 2.75Å; H14-W73 AromaticContact CE1-CD2 3.84Å; H14-W73 AromaticContact CE1-CE3 3.46Å; H14-W73 VanDerWaalsContact CE1-CE3 3.46Å; H14-W73 AromaticContact CE1-CG 3.99Å; H14-W73 VanDerWaalsContact NE2-CB 3.27Å; H14-W73 WeakPolarHBondContact NE2-CB 3.28Å; H14-W73 AromaticContact NE2-CD2 3.91Å; H14-W73 AromaticContact NE2-CG 3.65Å
15W89Confident91.4Very high12 Ų1254.5 Ų54.55%0.04530%0.296CS..Hα-helixtrans-52.8-39.8-174.5-86.4106.6000114F17 T18 W19 I63 W73 T74 M75 T78 I87W15-F17 PolarHBondContact O-N 3.46Å; W15-T18 WeakPolarHBondContact O-CB 3.31Å; W15-T18 PolarHBondContact O-N 3.21Å; W15-W19 PolarHBondContact O-N 3.17Å; W15-I63 HydrophobicContact CB-CB 4.37Å; W15-I63 HydrophobicContact CB-CD1 3.8Å; W15-I63 HydrophobicContact CB-CG1 3.79Å; W15-I63 HydrophobicContact CB-CG2 3.64Å; W15-I63 HydrophobicContact CD2-CD1 4.39Å; W15-I63 HydrophobicContact CD2-CG1 3.92Å; W15-I63 HydrophobicContact CE3-CD1 3.9Å; W15-I63 HydrophobicContact CE3-CG1 3.69Å; W15-I63 HydrophobicContact CG-CD1 4.41Å; W15-I63 HydrophobicContact CG-CG1 4Å; W15-I63 HydrophobicContact CG-CG2 4.29Å; W15-W73 PolarHBondContact N-O 3.45Å; W15-T74 PolarHBondContact NE1-O 3.47Å; W15-M75 HydrophobicContact CD2-CE 4.34Å; W15-M75 HydrophobicContact CD2-SD 3.14Å; W15-M75 HydrophobicContact CE3-CE 4.24Å; W15-M75 HydrophobicContact CE3-SD 3.44Å; W15-M75 HydrophobicContact CG-SD 3.67Å; W15-M75 HydrophobicContact CH2-CE 3.54Å; W15-M75 HydrophobicContact CH2-SD 3.67Å; W15-M75 HydrophobicContact CZ2-CE 3.67Å; W15-M75 HydrophobicContact CZ2-SD 3.41Å; W15-M75 WeakPolarHBondContact CZ2-SD 3.44Å; W15-M75 HydrophobicContact CZ3-CE 3.86Å; W15-M75 HydrophobicContact CZ3-SD 3.69Å; W15-T78 HydrophobicContact CZ2-CG2 4.17Å; W15-I87 HydrophobicContact CH2-CD1 3.5Å; W15-I87 HydrophobicContact CH2-CG1 4.09Å; W15-I87 HydrophobicContact CH2-CG2 3.99Å; W15-I87 HydrophobicContact CZ2-CD1 3.71Å; W15-I87 HydrophobicContact CZ3-CD1 4.14Å; W15-I87 HydrophobicContact CZ3-CG1 4.35Å; W15-I87 HydrophobicContact CZ3-CG2 4.38Å
16F89.8Confident91.6Very high93 Ų9355 Ų5541%0.40830%0.298SS..Hα-helixtrans-58.9-43.9175.6-176.3-104.5000113.5H14 T18 W19 V20H14-F16 VanDerWaalsContact C-N 3.26Å; H14-F16 VanDerWaalsContact CE1-CB 3.44Å; H14-F16 WeakPolarHBondContact CE1-CB 3.11Å; H14-F16 VanDerWaalsContact ND1-CB 3.31Å; H14-F16 WeakPolarHBondContact ND1-CB 3.47Å; H14-F16 PolarHBondContact ND1-N 3.17Å; H14-F16 VanDerWaalsContact ND1-N 3.15Å; H14-F16 PolarHBondContact O-N 3.28Å; H14-F16 VanDerWaalsContact O-N 3.14Å; F16-T18 VanDerWaalsContact C-N 3.32Å; F16-T18 PolarHBondContact O-N 3.1Å; F16-W19 HydrophobicContact CD2-CE3 4.37Å; F16-W19 HydrophobicContact CE2-CE3 4.09Å; F16-W19 HydrophobicContact CE2-CZ3 4.13Å; F16-W19 PolarHBondContact O-N 3.4Å; F16-V20 HydrophobicContact CD1-CG2 4.15Å; F16-V20 HydrophobicContact CE1-CG2 3.76Å; F16-V20 HydrophobicContact CE2-CG2 4.45Å; F16-V20 HydrophobicContact CZ-CG2 3.93Å; F16-V20 WeakPolarHBondContact O-CG2 3.23Å; F16-V20 PolarHBondContact O-N 3.03Å
17F91.3Very high91.8Very high116 Ų11656.8 Ų56.851%0.50931%0.305SS..Hα-helixtrans-70.4-32.6179.6-70.9-52.3000111.8H14 W15 W19 V20 G21H14-F17 HydrophobicContact CB-CD2 3.93Å; H14-F17 PolarHBondContact O-N 3.19Å; W15-F17 PolarHBondContact O-N 3.46Å; F17-W19 VanDerWaalsContact C-N 3.34Å; F17-V20 PolarHBondContact O-N 3.37Å; F17-G21 PolarHBondContact O-N 3.39Å
18T91.4Very high91.7Very high12 Ų1253.8 Ų53.87%0.07429%0.292CS..Hα-helixtrans-59.2-46.8170.2-43.80000110.7T9 S12 H14 W15 F16 G21 L22T9-T18 WeakPolarHBondContact CG2-O 3.19Å; S12-T18 WeakPolarHBondContact OG-CA 3.32Å; S12-T18 PolarHBondContact OG-N 3.02Å; S12-T18 PolarHBondContact OG-OG1 3.21Å; H14-T18 PolarHBondContact O-N 3.01Å; H14-T18 PolarHBondContact O-OG1 2.75Å; W15-T18 WeakPolarHBondContact O-CB 3.31Å; W15-T18 PolarHBondContact O-N 3.21Å; F16-T18 VanDerWaalsContact C-N 3.32Å; F16-T18 PolarHBondContact O-N 3.1Å; T18-G21 PolarHBondContact O-N 3.17Å; T18-L22 WeakPolarHBondContact O-CG 3.2Å; T18-L22 PolarHBondContact O-N 3.47Å; T18-L22 VanDerWaalsContact O-N 3.15Å
19W93.3Very high91.7Very high54 Ų5454.4 Ų54.421%0.20529%0.292CS..Hα-helixtrans-61.3-45176.3175.183.7000112.2W15 F16 F17 G21 L22 E23 S56 L59 L60 I63W15-W19 PolarHBondContact O-N 3.17Å; F16-W19 HydrophobicContact CD2-CE3 4.37Å; F16-W19 HydrophobicContact CE2-CE3 4.09Å; F16-W19 HydrophobicContact CE2-CZ3 4.13Å; F16-W19 PolarHBondContact O-N 3.4Å; F17-W19 VanDerWaalsContact C-N 3.34Å; W19-G21 VanDerWaalsContact C-N 3.31Å; W19-G21 PolarHBondContact O-N 3.46Å; W19-L22 PolarHBondContact O-N 3.26Å; W19-E23 HydrophobicContact CD2-CG 4.17Å; W19-E23 HydrophobicContact CH2-CG 4.16Å; W19-E23 HydrophobicContact CZ2-CG 3.67Å; W19-E23 PolarHBondContact O-N 2.96Å; W19-S56 PolarHBondContact NE1-O 3.49Å; W19-L59 HydrophobicContact CB-CD2 3.94Å; W19-L59 HydrophobicContact CG-CD2 4.3Å; W19-L60 HydrophobicContact CD2-CD1 3.92Å; W19-L60 HydrophobicContact CE3-CD1 4.39Å; W19-L60 HydrophobicContact CG-CD1 4.33Å; W19-L60 HydrophobicContact CH2-CD1 4.42Å; W19-L60 HydrophobicContact CZ2-CD1 3.92Å; W19-I63 HydrophobicContact CB-CD1 4.26Å
20V93.8Very high91.8Very high40 Ų4054.7 Ų54.724%0.24229%0.292CS..Hα-helixtrans-59.4-41.4177170.70000111.7F16 F17 E23 M24F16-V20 HydrophobicContact CD1-CG2 4.15Å; F16-V20 HydrophobicContact CE1-CG2 3.76Å; F16-V20 HydrophobicContact CE2-CG2 4.45Å; F16-V20 HydrophobicContact CZ-CG2 3.93Å; F16-V20 WeakPolarHBondContact O-CG2 3.23Å; F16-V20 PolarHBondContact O-N 3.03Å; F17-V20 PolarHBondContact O-N 3.37Å; V20-E23 PolarHBondContact O-N 2.99Å; V20-M24 HydrophobicContact CG1-CE 3.8Å; V20-M24 PolarHBondContact O-N 3.49Å
21G93.1Very high91.8Very high0 Ų054.6 Ų54.60%029%0.285CS..Hα-helixtrans-63.1-39.7177.200000113.2F17 T18 W19 N25F17-G21 PolarHBondContact O-N 3.39Å; T18-G21 PolarHBondContact O-N 3.17Å; W19-G21 VanDerWaalsContact C-N 3.31Å; W19-G21 PolarHBondContact O-N 3.46Å; G21-N25 PolarHBondContact O-N 3.14Å; G21-N25 PolarHBondContact O-ND2 3.48Å
22L92.6Very high91.8Very high71 Ų7151.1 Ų51.137%0.37227%0.268SS..Hα-helixtrans-66.8-44.5175.8-68.5172.1000112T9 T18 W19 M24 N25 M26 L59T9-L22 HydrophobicContact CG2-CD2 4.01Å; T9-L22 HydrophobicContact CG2-CG 3.85Å; T18-L22 WeakPolarHBondContact O-CG 3.2Å; T18-L22 PolarHBondContact O-N 3.47Å; T18-L22 VanDerWaalsContact O-N 3.15Å; W19-L22 PolarHBondContact O-N 3.26Å; L22-M24 VanDerWaalsContact C-N 3.34Å; L22-M24 PolarHBondContact O-N 3.01Å; L22-N25 WeakPolarHBondContact O-CB 3.5Å; L22-N25 PolarHBondContact O-N 3.27Å; L22-N25 VanDerWaalsContact O-N 3.12Å; L22-M26 PolarHBondContact O-N 2.97Å; L22-L59 HydrophobicContact CD1-CD1 3.85Å
23E94.5Very high91.8Very high34 Ų3452.2 Ų52.216%0.15927%0.272CS..Hα-helixtrans-60.9-41.5176.5-80.7-65.9162.700112.4W19 V20 N25 M26 L27 S56W19-E23 HydrophobicContact CD2-CG 4.17Å; W19-E23 HydrophobicContact CH2-CG 4.16Å; W19-E23 HydrophobicContact CZ2-CG 3.67Å; W19-E23 PolarHBondContact O-N 2.96Å; V20-E23 PolarHBondContact O-N 2.99Å; E23-N25 VanDerWaalsContact C-N 3.3Å; E23-N25 PolarHBondContact O-N 3.46Å; E23-M26 PolarHBondContact O-N 2.81Å; E23-M26 WeakPolarHBondContact OE2-CE 3.27Å; E23-L27 WeakPolarHBondContact O-CG 3.49Å; E23-L27 PolarHBondContact O-N 3.49Å; E23-S56 WeakPolarHBondContact OE1-CB 3.45Å; E23-S56 PolarHBondContact OE1-OG 3.42Å
24M93.4Very high91.9Very high66 Ų6649.9 Ų49.933%0.32525%0.254SS..Hα-helixtrans-61.8-37.7174.2-80.6-170.7-69.500112.7I8 V20 L22 A28I8-M24 HydrophobicContact CB-CE 4.48Å; I8-M24 HydrophobicContact CD1-CE 3.33Å; I8-M24 HydrophobicContact CD1-SD 4.48Å; I8-M24 HydrophobicContact CG1-CE 4.48Å; I8-M24 HydrophobicContact CG2-CE 4.44Å; V20-M24 HydrophobicContact CG1-CE 3.8Å; V20-M24 PolarHBondContact O-N 3.49Å; L22-M24 VanDerWaalsContact C-N 3.34Å; L22-M24 PolarHBondContact O-N 3.01Å; M24-A28 WeakPolarHBondContact O-CB 3.42Å; M24-A28 PolarHBondContact O-N 3.49Å
25N93.8Very high91.7Very high25 Ų2554.9 Ų54.913%0.13428%0.275CS..Hα-helixtrans-66-44.1175.2-73.9-23.7000111.4I2 G5 T6 G21 L22 E23 A28 F29I2-N25 PolarHBondContact O-OD1 3.01Å; G5-N25 VanDerWaalsContact CA-OD1 3.32Å; G5-N25 WeakPolarHBondContact CA-OD1 3.43Å; T6-N25 VanDerWaalsContact CG2-ND2 3.29Å; T6-N25 WeakPolarHBondContact CG2-ND2 3.02Å; T6-N25 PolarHBondContact N-ND2 3.06Å; T6-N25 PolarHBondContact N-OD1 3.33Å; T6-N25 VanDerWaalsContact N-OD1 3.14Å; G21-N25 PolarHBondContact O-N 3.14Å; G21-N25 PolarHBondContact O-ND2 3.48Å; L22-N25 WeakPolarHBondContact O-CB 3.5Å; L22-N25 PolarHBondContact O-N 3.27Å; L22-N25 VanDerWaalsContact O-N 3.12Å; E23-N25 VanDerWaalsContact C-N 3.3Å; E23-N25 PolarHBondContact O-N 3.46Å; N25-A28 PolarHBondContact O-N 3.41Å; N25-F29 VanDerWaalsContact O-CB 3.27Å; N25-F29 WeakPolarHBondContact O-CB 3.43Å; N25-F29 PolarHBondContact O-N 2.99Å
26M94Very high91.5Very high10 Ų1061.7 Ų61.75%0.04931%0.305CS..Hα-helixtrans-57.4-55.9177.1-177.3-168.671.800110.9L22 E23 A28 F29 I30 Y48 F49 Q52L22-M26 PolarHBondContact O-N 2.97Å; E23-M26 PolarHBondContact O-N 2.81Å; E23-M26 WeakPolarHBondContact OE2-CE 3.27Å; M26-A28 VanDerWaalsContact C-N 3.33Å; M26-A28 PolarHBondContact O-N 3.03Å; M26-F29 PolarHBondContact O-N 3.05Å; M26-I30 WeakPolarHBondContact O-CG1 3.49Å; M26-I30 PolarHBondContact O-N 3.15Å; M26-Y48 HydrophobicContact CG-CE1 4.17Å; M26-F49 HydrophobicContact CE-CD2 4.05Å; M26-F49 HydrophobicContact CE-CE2 3.79Å; M26-F49 HydrophobicContact SD-CD2 4.07Å; M26-F49 HydrophobicContact SD-CE2 4.31Å; M26-Q52 HydrophobicContact CG-CB 3.8Å; M26-Q52 HydrophobicContact CG-CG 4.45Å; M26-Q52 HydrophobicContact SD-CB 3.6Å; M26-Q52 VanDerWaalsContact SD-CB 3.6Å
27L93.4Very high91.2Very high102 Ų10265 Ų6553%0.53432%0.324SS..Hα-helixtrans-63.4-38.1-177.2-67176.1000112.5E23 F29 I30 P31E23-L27 WeakPolarHBondContact O-CG 3.49Å; E23-L27 PolarHBondContact O-N 3.49Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.03Å; L27-I30 HydrophobicContact CD2-CD1 4.33Å; L27-P31 WeakPolarHBondContact O-CD 3.41Å
28A91.7Very high91.2Very high17 Ų1764.1 Ų64.114%0.1433%0.325CS..Hα-helixtrans-72.1-23.4178.800000113.4T1 I2 M24 N25 M26T1-A28 VanDerWaalsContact OG1-CB 3.23Å; T1-A28 WeakPolarHBondContact OG1-CB 3.5Å; I2-A28 HydrophobicContact CD1-CB 4.5Å; I2-A28 HydrophobicContact CG1-CB 3.52Å; M24-A28 WeakPolarHBondContact O-CB 3.42Å; M24-A28 PolarHBondContact O-N 3.49Å; N25-A28 PolarHBondContact O-N 3.41Å; M26-A28 VanDerWaalsContact C-N 3.33Å; M26-A28 PolarHBondContact O-N 3.03Å
29F92.7Very high91.2Very high75 Ų7568.7 Ų68.733%0.32936%0.355SS..Hα-helixtrans-85.2-26.1-180-163.1-108.2000113.2I2 N25 M26 L27 V32 L33 Y48I2-F29 HydrophobicContact CD1-CD2 4.24Å; N25-F29 VanDerWaalsContact O-CB 3.27Å; N25-F29 WeakPolarHBondContact O-CB 3.43Å; N25-F29 PolarHBondContact O-N 2.99Å; M26-F29 PolarHBondContact O-N 3.05Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.03Å; F29-V32 HydrophobicContact CD2-CB 4.43Å; F29-V32 HydrophobicContact CE2-CG1 4.49Å; F29-V32 WeakPolarHBondContact O-CA 3.47Å; F29-V32 VanDerWaalsContact O-CB 3.31Å; F29-V32 WeakPolarHBondContact O-CB 3.45Å; F29-V32 PolarHBondContact O-N 3.44Å; F29-L33 HydrophobicContact CD1-CD1 3.73Å; F29-L33 HydrophobicContact CD1-CD2 4.4Å; F29-L33 HydrophobicContact CD1-CG 3.85Å; F29-L33 HydrophobicContact CE1-CD1 3.81Å; F29-L33 HydrophobicContact CE1-CD2 3.73Å; F29-L33 HydrophobicContact CE1-CG 3.7Å; F29-L33 HydrophobicContact CZ-CD2 4.33Å; F29-L33 PolarHBondContact O-N 3.19Å; F29-Y48 HydrophobicContact CB-CE1 4.33Å; F29-Y48 HydrophobicContact CD1-CD1 4.41Å; F29-Y48 AromaticContact CD1-CE1 3.84Å; F29-Y48 HydrophobicContact CD1-CE1 3.84Å; F29-Y48 HydrophobicContact CD1-CE2 4.02Å; F29-Y48 AromaticContact CD1-CZ 3.61Å; F29-Y48 HydrophobicContact CE1-CE2 4.28Å
30I92.8Very high91.1Very high42 Ų4276.1 Ų76.122%0.21538%0.383CS..Hα-helixtrans-54.7-49.3179.1-67.6164.3000112.7M26 L27 V32 L33 T34 F49M26-I30 WeakPolarHBondContact O-CG1 3.49Å; M26-I30 PolarHBondContact O-N 3.15Å; L27-I30 HydrophobicContact CD2-CD1 4.33Å; I30-V32 PolarHBondContact O-N 3.2Å; I30-L33 WeakPolarHBondContact O-CB 3.22Å; I30-L33 PolarHBondContact O-N 3.36Å; I30-L33 VanDerWaalsContact O-N 3.1Å; I30-T34 PolarHBondContact O-N 3.31Å; I30-T34 PolarHBondContact O-OG1 2.95Å; I30-F49 HydrophobicContact CD1-CB 4.45Å; I30-F49 HydrophobicContact CD1-CD2 3.69Å; I30-F49 HydrophobicContact CD1-CE2 4.42Å; I30-F49 HydrophobicContact CD1-CG 4.43Å
31P88.9Confident90.9Very high80 Ų8075.7 Ų75.752%0.51938%0.381SS..Hα-helixtrans-63-25.8177.6-22.833.9000113.5L27 T34 K35L27-P31 WeakPolarHBondContact O-CD 3.41Å; P31-T34 WeakPolarHBondContact CA-OG1 3.42Å; P31-T34 PolarHBondContact O-OG1 3.44Å; P31-K35 PolarHBondContact O-N 2.98Å
32V91Very high90.9Very high57 Ų5778.4 Ų78.435%0.34540%0.398SS..Hα-helixtrans-70.2-37.8176.8-177.40000110.4I2 F29 I30 K35I2-V32 HydrophobicContact CD1-CG2 4.27Å; F29-V32 HydrophobicContact CD2-CB 4.43Å; F29-V32 HydrophobicContact CE2-CG1 4.49Å; F29-V32 WeakPolarHBondContact O-CA 3.47Å; F29-V32 VanDerWaalsContact O-CB 3.31Å; F29-V32 WeakPolarHBondContact O-CB 3.45Å; F29-V32 PolarHBondContact O-N 3.44Å; I30-V32 PolarHBondContact O-N 3.2Å; V32-K35 WeakPolarHBondContact O-CG 3.48Å
33L89.1Confident90.9Very high45 Ų4579.8 Ų79.824%0.23640%0.403CS..Hα-helixtrans-71.1-27.8176.5-69.1172.2000113F29 I30 S41 A45 Y48F29-L33 HydrophobicContact CD1-CD1 3.73Å; F29-L33 HydrophobicContact CD1-CD2 4.4Å; F29-L33 HydrophobicContact CD1-CG 3.85Å; F29-L33 HydrophobicContact CE1-CD1 3.81Å; F29-L33 HydrophobicContact CE1-CD2 3.73Å; F29-L33 HydrophobicContact CE1-CG 3.7Å; F29-L33 HydrophobicContact CZ-CD2 4.33Å; F29-L33 PolarHBondContact O-N 3.19Å; I30-L33 WeakPolarHBondContact O-CB 3.22Å; I30-L33 PolarHBondContact O-N 3.36Å; I30-L33 VanDerWaalsContact O-N 3.1Å; L33-S41 PolarHBondContact O-OG 2.86Å; L33-A45 HydrophobicContact CB-CB 3.95Å; L33-A45 HydrophobicContact CD1-CB 4.49Å; L33-Y48 HydrophobicContact CD1-CD1 3.71Å; L33-Y48 HydrophobicContact CD1-CD2 4.27Å; L33-Y48 HydrophobicContact CD1-CE1 4.41Å; L33-Y48 HydrophobicContact CD1-CG 3.63Å
34T91.3Very high90.8Very high39 Ų3980.5 Ų80.524%0.23942%0.415CS..THydrogen-bonded Turntrans-96.410.6-179.657.20000114.2I30 P31 K36 A45I30-T34 PolarHBondContact O-N 3.31Å; I30-T34 PolarHBondContact O-OG1 2.95Å; P31-T34 WeakPolarHBondContact CA-OG1 3.42Å; P31-T34 PolarHBondContact O-OG1 3.44Å; T34-K36 VanDerWaalsContact C-N 3.26Å; T34-K36 CarbonylContact O-C 3.58Å; T34-K36 PolarHBondContact O-N 3.24Å; T34-A45 HydrophobicContact CG2-CB 3.55Å
35K85.8Confident90.8Very high162 Ų16277.7 Ų77.770%0.70440%0.402SS*.SBendtrans-52.4-40.6-179.8-82-177.4176.9-176.50114.1P31 V32P31-K35 PolarHBondContact O-N 2.98Å; V32-K35 WeakPolarHBondContact O-CG 3.48Å
36K83.4Confident90.8Very high155 Ų15581.3 Ų81.367%0.67442%0.42SS*.SBendtrans-94.7113.9171.4-65.8-176-180-178.20106.8T34 N38 S41T34-K36 VanDerWaalsContact C-N 3.26Å; T34-K36 CarbonylContact O-C 3.58Å; T34-K36 PolarHBondContact O-N 3.24Å; K36-N38 PolarHBondContact O-N 2.98Å; K36-S41 WeakPolarHBondContact O-CB 3.39Å; K36-S41 PolarHBondContact O-OG 3.35Å
37M84.4Confident90.9Very high164 Ų16486.6 Ų86.681%0.80844%0.443SS*.  trans-72.949.3-177.9-64.5-64.9-149.300112.6
38N92Very high90.9Very high96 Ų9684.6 Ų84.651%0.51343%0.429SS..  trans-100.3146.4177.5-65.4-0.9000108.9K36 R40 S41 T42K36-N38 PolarHBondContact O-N 2.98Å; N38-R40 PolarHBondContact O-N 3.12Å; N38-R40 VanDerWaalsContact O-N 3.11Å; N38-S41 WeakPolarHBondContact O-CA 3.45Å; N38-S41 WeakPolarHBondContact O-CB 3.28Å; N38-S41 PolarHBondContact O-N 2.67Å; N38-T42 PolarHBondContact O-N 3.38Å
39P89.8Confident91.1Very high109 Ų10988 Ų8871%0.70844%0.44SS*.Hα-helixtrans-57.9-31.9-178.222.3-33.7000112.9T42 E43P39-T42 WeakPolarHBondContact CA-OG1 3.49Å; P39-T42 PolarHBondContact O-N 3.12Å; P39-T42 PolarHBondContact O-OG1 2.97Å; P39-E43 WeakPolarHBondContact O-CB 3.43Å; P39-E43 PolarHBondContact O-N 2.99Å
40R91.8Very high91.3Very high209 Ų20989.2 Ų89.279%0.78945%0.45SS*.Hα-helixtrans-66.8-35.7174.4-174.8175.9178.1179.8-0.3113.1N38 A44N38-R40 PolarHBondContact O-N 3.12Å; N38-R40 VanDerWaalsContact O-N 3.11Å; R40-A44 WeakPolarHBondContact O-CB 3.46Å; R40-A44 PolarHBondContact O-N 3.5Å
41S90.6Very high91.4Very high31 Ų3191.2 Ų91.222%0.21746%0.464CS..Hα-helixtrans-70.7-40.1178.8-136.10000110.7L33 K36 N38 A44 A45L33-S41 PolarHBondContact O-OG 2.86Å; K36-S41 WeakPolarHBondContact O-CB 3.39Å; K36-S41 PolarHBondContact O-OG 3.35Å; N38-S41 WeakPolarHBondContact O-CA 3.45Å; N38-S41 WeakPolarHBondContact O-CB 3.28Å; N38-S41 PolarHBondContact O-N 2.67Å; S41-A44 PolarHBondContact O-N 3.47Å; S41-A45 WeakPolarHBondContact O-CB 3.38Å; S41-A45 PolarHBondContact O-N 2.98Å
42T91.3Very high91.7Very high57 Ų5791 Ų9135%0.3546%0.456SS..Hα-helixtrans-68.4-40.4176.3540000111.4N38 P39 A44 A45 I46N38-T42 PolarHBondContact O-N 3.38Å; P39-T42 WeakPolarHBondContact CA-OG1 3.49Å; P39-T42 PolarHBondContact O-N 3.12Å; P39-T42 PolarHBondContact O-OG1 2.97Å; T42-A44 PolarHBondContact O-N 2.84Å; T42-A45 PolarHBondContact O-N 2.94Å; T42-I46 VanDerWaalsContact O-CG1 3.28Å; T42-I46 WeakPolarHBondContact O-CG1 3.46Å; T42-I46 PolarHBondContact O-N 3.17Å
43E93.8Very high91.8Very high100 Ų10089.5 Ų89.547%0.46745%0.45SS..Hα-helixtrans-62.6-42.3175.2-165.8-167.7153.200111.9P39 A45 I46 K47P39-E43 WeakPolarHBondContact O-CB 3.43Å; P39-E43 PolarHBondContact O-N 2.99Å; E43-A45 PolarHBondContact O-N 3.5Å; E43-I46 PolarHBondContact O-N 2.85Å; E43-K47 WeakPolarHBondContact O-CG 3.41Å; E43-K47 PolarHBondContact O-N 3.29Å; E43-K47 WeakPolarHBondContact OE1-CE 3.46Å; E43-K47 IonicContact OE1-NZ 2.67Å; E43-K47 PolarHBondContact OE1-NZ 3.48Å
44A92.8Very high92.1Very high50 Ų5091.5 Ų91.541%0.41346%0.464SS..Hα-helixtrans-62.3-41.617500000112.1R40 S41 T42 K47 Y48R40-A44 WeakPolarHBondContact O-CB 3.46Å; R40-A44 PolarHBondContact O-N 3.5Å; S41-A44 PolarHBondContact O-N 3.47Å; T42-A44 PolarHBondContact O-N 2.84Å; A44-K47 PolarHBondContact O-N 3.04Å; A44-Y48 WeakPolarHBondContact O-CB 3.43Å; A44-Y48 PolarHBondContact O-N 3.46Å
45A93.3Very high92.2Very high7 Ų790.6 Ų90.66%0.05846%0.46CS..Hα-helixtrans-63.8-39.6176.400000112.5L33 T34 S41 T42 E43 Y48 F49L33-A45 HydrophobicContact CB-CB 3.95Å; L33-A45 HydrophobicContact CD1-CB 4.49Å; T34-A45 HydrophobicContact CG2-CB 3.55Å; S41-A45 WeakPolarHBondContact O-CB 3.38Å; S41-A45 PolarHBondContact O-N 2.98Å; T42-A45 PolarHBondContact O-N 2.94Å; E43-A45 PolarHBondContact O-N 3.5Å; A45-Y48 PolarHBondContact O-N 2.93Å; A45-F49 WeakPolarHBondContact O-CB 3.39Å; A45-F49 PolarHBondContact O-N 3.48Å
46I93.9Very high92.6Very high100 Ų10083.6 Ų83.651%0.51343%0.432SS..Hα-helixtrans-66.2-44.2176.9-67.1162.6000110.9T42 E43 Y48 F49 L50T42-I46 VanDerWaalsContact O-CG1 3.28Å; T42-I46 WeakPolarHBondContact O-CG1 3.46Å; T42-I46 PolarHBondContact O-N 3.17Å; E43-I46 PolarHBondContact O-N 2.85Å; I46-Y48 VanDerWaalsContact C-N 3.35Å; I46-Y48 PolarHBondContact O-N 3.27Å; I46-F49 PolarHBondContact O-N 3.45Å; I46-L50 HydrophobicContact CG2-CD1 3.94Å; I46-L50 HydrophobicContact CG2-CG 4.46Å; I46-L50 WeakPolarHBondContact O-CG 3.4Å; I46-L50 PolarHBondContact O-N 2.99Å
47K94.7Very high93.1Very high122 Ų12281.7 Ų81.753%0.5343%0.427SS..Hα-helixtrans-61.3-43.2176-75.5172.2170168.20111.9E43 A44 T51E43-K47 WeakPolarHBondContact O-CG 3.41Å; E43-K47 PolarHBondContact O-N 3.29Å; E43-K47 WeakPolarHBondContact OE1-CE 3.46Å; E43-K47 IonicContact OE1-NZ 2.67Å; E43-K47 PolarHBondContact OE1-NZ 3.48Å; A44-K47 PolarHBondContact O-N 3.04Å; K47-T51 WeakPolarHBondContact O-CG2 3.37Å; K47-T51 PolarHBondContact O-N 3.14Å; K47-T51 PolarHBondContact O-OG1 2.97Å
48Y94.8Very high93.6Very high59 Ų5977.3 Ų77.323%0.23141%0.406CS..Hα-helixtrans-60.9-47.3173.9177.4-94.5000111.6M26 F29 L33 A44 A45 I46 L50 T51 Q52M26-Y48 HydrophobicContact CG-CE1 4.17Å; F29-Y48 HydrophobicContact CB-CE1 4.33Å; F29-Y48 HydrophobicContact CD1-CD1 4.41Å; F29-Y48 AromaticContact CD1-CE1 3.84Å; F29-Y48 HydrophobicContact CD1-CE1 3.84Å; F29-Y48 HydrophobicContact CD1-CE2 4.02Å; F29-Y48 AromaticContact CD1-CZ 3.61Å; F29-Y48 HydrophobicContact CE1-CE2 4.28Å; L33-Y48 HydrophobicContact CD1-CD1 3.71Å; L33-Y48 HydrophobicContact CD1-CD2 4.27Å; L33-Y48 HydrophobicContact CD1-CE1 4.41Å; L33-Y48 HydrophobicContact CD1-CG 3.63Å; A44-Y48 WeakPolarHBondContact O-CB 3.43Å; A44-Y48 PolarHBondContact O-N 3.46Å; A45-Y48 PolarHBondContact O-N 2.93Å; I46-Y48 VanDerWaalsContact C-N 3.35Å; I46-Y48 PolarHBondContact O-N 3.27Å; Y48-L50 PolarHBondContact O-N 2.88Å; Y48-T51 PolarHBondContact O-OG1 3.23Å; Y48-Q52 HydrophobicContact CD1-CG 4.29Å; Y48-Q52 HydrophobicContact CD2-CG 4.15Å; Y48-Q52 HydrophobicContact CE1-CG 3.94Å; Y48-Q52 HydrophobicContact CE2-CG 3.8Å; Y48-Q52 HydrophobicContact CG-CG 4.39Å; Y48-Q52 WeakPolarHBondContact O-CB 3.42Å; Y48-Q52 VanDerWaalsContact O-CG 3.26Å; Y48-Q52 WeakPolarHBondContact O-CG 3.39Å; Y48-Q52 PolarHBondContact O-N 3.02Å
49F96.2Very high93.6Very high89 Ų8973 Ų7339%0.3938%0.382SS..Hα-helixtrans-60.6-46.9179.2175.3-105.7000112.4M26 I30 A45 I46 T51 Q52 A53M26-F49 HydrophobicContact CE-CD2 4.05Å; M26-F49 HydrophobicContact CE-CE2 3.79Å; M26-F49 HydrophobicContact SD-CD2 4.07Å; M26-F49 HydrophobicContact SD-CE2 4.31Å; I30-F49 HydrophobicContact CD1-CB 4.45Å; I30-F49 HydrophobicContact CD1-CD2 3.69Å; I30-F49 HydrophobicContact CD1-CE2 4.42Å; I30-F49 HydrophobicContact CD1-CG 4.43Å; A45-F49 WeakPolarHBondContact O-CB 3.39Å; A45-F49 PolarHBondContact O-N 3.48Å; I46-F49 PolarHBondContact O-N 3.45Å; F49-T51 PolarHBondContact O-N 3.26Å; F49-Q52 PolarHBondContact O-N 3.49Å; F49-A53 HydrophobicContact CZ-CB 4.46Å; F49-A53 WeakPolarHBondContact O-CB 3.26Å; F49-A53 PolarHBondContact O-N 3Å
50L96.3Very high93.8Very high101 Ų10169.9 Ų69.953%0.52936%0.36SS..Hα-helixtrans-62.5-46.8-178.3-74.4168.3000112I46 Y48 T54I46-L50 HydrophobicContact CG2-CD1 3.94Å; I46-L50 HydrophobicContact CG2-CG 4.46Å; I46-L50 WeakPolarHBondContact O-CG 3.4Å; I46-L50 PolarHBondContact O-N 2.99Å; Y48-L50 PolarHBondContact O-N 2.88Å; L50-T54 WeakPolarHBondContact O-CG2 3.07Å; L50-T54 PolarHBondContact O-N 2.62Å; L50-T54 PolarHBondContact O-OG1 2.97Å; L50-T54 VanDerWaalsContact O-OG1 3.13Å
51T95.1Very high93.8Very high84 Ų8465.5 Ų65.552%0.51535%0.35SS..Hα-helixtrans-62.8-47.3179.249.90000111.5K47 Y48 F49 T54 A55K47-T51 WeakPolarHBondContact O-CG2 3.37Å; K47-T51 PolarHBondContact O-N 3.14Å; K47-T51 PolarHBondContact O-OG1 2.97Å; Y48-T51 PolarHBondContact O-OG1 3.23Å; F49-T51 PolarHBondContact O-N 3.26Å; T51-T54 PolarHBondContact O-N 3.11Å; T51-T54 PolarHBondContact O-OG1 3.45Å; T51-A55 WeakPolarHBondContact O-CB 3.17Å; T51-A55 PolarHBondContact O-N 3.22Å
52Q94.2Very high93.7Very high76 Ų7664 Ų6436%0.35534%0.339SS..Hα-helixtrans-66.6-40.2179.5-67.7-65.5-1400112.9M26 Y48 F49 T54 A55 S56M26-Q52 HydrophobicContact CG-CB 3.8Å; M26-Q52 HydrophobicContact CG-CG 4.45Å; M26-Q52 HydrophobicContact SD-CB 3.6Å; M26-Q52 VanDerWaalsContact SD-CB 3.6Å; Y48-Q52 HydrophobicContact CD1-CG 4.29Å; Y48-Q52 HydrophobicContact CD2-CG 4.15Å; Y48-Q52 HydrophobicContact CE1-CG 3.94Å; Y48-Q52 HydrophobicContact CE2-CG 3.8Å; Y48-Q52 HydrophobicContact CG-CG 4.39Å; Y48-Q52 WeakPolarHBondContact O-CB 3.42Å; Y48-Q52 VanDerWaalsContact O-CG 3.26Å; Y48-Q52 WeakPolarHBondContact O-CG 3.39Å; Y48-Q52 PolarHBondContact O-N 3.02Å; F49-Q52 PolarHBondContact O-N 3.49Å; Q52-T54 VanDerWaalsContact C-N 3.33Å; Q52-T54 PolarHBondContact O-N 3.3Å; Q52-A55 PolarHBondContact O-N 3.35Å; Q52-S56 WeakPolarHBondContact O-CB 3.38Å; Q52-S56 PolarHBondContact O-N 3.47Å; Q52-S56 PolarHBondContact O-OG 2.96Å
53A93.8Very high93.6Very high25 Ų2561.7 Ų61.721%0.20733%0.325CS..Hα-helixtrans-64.6-37.8175.900000111.8F49 S56 M57F49-A53 HydrophobicContact CZ-CB 4.46Å; F49-A53 WeakPolarHBondContact O-CB 3.26Å; F49-A53 PolarHBondContact O-N 3Å; A53-S56 PolarHBondContact O-OG 3.35Å; A53-S56 VanDerWaalsContact O-OG 3.11Å; A53-M57 VanDerWaalsContact O-CG 3.26Å; A53-M57 WeakPolarHBondContact O-CG 3.43Å; A53-M57 PolarHBondContact O-N 2.92Å; A53-M57 VanDerWaalsContact O-N 3.13Å
54T95Very high93.5Very high86 Ų8660.5 Ų60.553%0.52832%0.321SS..Hα-helixtrans-67-42.4174.6540000111.9L50 T51 Q52 M57 I58L50-T54 WeakPolarHBondContact O-CG2 3.07Å; L50-T54 PolarHBondContact O-N 2.62Å; L50-T54 PolarHBondContact O-OG1 2.97Å; L50-T54 VanDerWaalsContact O-OG1 3.13Å; T51-T54 PolarHBondContact O-N 3.11Å; T51-T54 PolarHBondContact O-OG1 3.45Å; Q52-T54 VanDerWaalsContact C-N 3.33Å; Q52-T54 PolarHBondContact O-N 3.3Å; T54-M57 PolarHBondContact O-N 2.88Å; T54-I58 VanDerWaalsContact O-CG1 3.29Å; T54-I58 WeakPolarHBondContact O-CG1 3.02Å; T54-I58 PolarHBondContact O-N 3.35Å
55A93.6Very high93.3Very high20 Ų2061 Ų6117%0.16531%0.314CS..Hα-helixtrans-62.7-43.6176.500000111.8T51 Q52 M57 I58 L59 A90T51-A55 WeakPolarHBondContact O-CB 3.17Å; T51-A55 PolarHBondContact O-N 3.22Å; Q52-A55 PolarHBondContact O-N 3.35Å; A55-M57 VanDerWaalsContact C-N 3.33Å; A55-M57 PolarHBondContact O-N 3.16Å; A55-I58 PolarHBondContact O-N 3.23Å; A55-L59 WeakPolarHBondContact O-CB 3.28Å; A55-L59 PolarHBondContact O-N 2.95Å; A55-A90 WeakPolarHBondContact CB-O 3.45Å; A55-A90 WeakPolarHBondContact O-CB 3.45Å
56S94.5Very high93Very high15 Ų1560.8 Ų60.811%0.10531%0.312CS..Hα-helixtrans-66-35.4-179.876.60000112.6W19 E23 Q52 A53 L59 L60W19-S56 PolarHBondContact NE1-O 3.49Å; E23-S56 WeakPolarHBondContact OE1-CB 3.45Å; E23-S56 PolarHBondContact OE1-OG 3.42Å; Q52-S56 WeakPolarHBondContact O-CB 3.38Å; Q52-S56 PolarHBondContact O-N 3.47Å; Q52-S56 PolarHBondContact O-OG 2.96Å; A53-S56 PolarHBondContact O-OG 3.35Å; A53-S56 VanDerWaalsContact O-OG 3.11Å; S56-L59 PolarHBondContact O-N 2.81Å; S56-L60 WeakPolarHBondContact O-CB 3.48Å; S56-L60 PolarHBondContact O-N 3.38Å
57M94Very high92.7Very high116 Ų11657.7 Ų57.757%0.57130%0.296SS*.Hα-helixtrans-69.7-39.6173.9-70.5-58.2-60.800112.7A53 T54 A55 L59 L60 M61A53-M57 VanDerWaalsContact O-CG 3.26Å; A53-M57 WeakPolarHBondContact O-CG 3.43Å; A53-M57 PolarHBondContact O-N 2.92Å; A53-M57 VanDerWaalsContact O-N 3.13Å; T54-M57 PolarHBondContact O-N 2.88Å; A55-M57 VanDerWaalsContact C-N 3.33Å; A55-M57 PolarHBondContact O-N 3.16Å; M57-L59 VanDerWaalsContact C-N 3.32Å; M57-L60 PolarHBondContact O-N 3.21Å; M57-M61 WeakPolarHBondContact O-CB 3.5Å; M57-M61 PolarHBondContact O-N 3.41Å
58I93.8Very high92.4Very high72 Ų7258.5 Ų58.537%0.36930%0.304SS..Hα-helixtrans-62.8-42.6173.7-66165.1000110T54 A55 M61 A62 M86 A90T54-I58 VanDerWaalsContact O-CG1 3.29Å; T54-I58 WeakPolarHBondContact O-CG1 3.02Å; T54-I58 PolarHBondContact O-N 3.35Å; A55-I58 PolarHBondContact O-N 3.23Å; I58-M61 PolarHBondContact O-N 2.96Å; I58-A62 WeakPolarHBondContact O-CB 3.44Å; I58-A62 PolarHBondContact O-N 2.98Å; I58-M86 HydrophobicContact CG2-CB 4.39Å; I58-A90 HydrophobicContact CB-CB 4.18Å; I58-A90 HydrophobicContact CG2-CB 3.98Å
59L92.9Very high91.9Very high4 Ų460.4 Ų60.42%0.02132%0.317CS..Hα-helixtrans-61.1-46177-169.2142.6000111.3W19 L22 A55 S56 M57 M61 A62 I63 A90 M91W19-L59 HydrophobicContact CB-CD2 3.94Å; W19-L59 HydrophobicContact CG-CD2 4.3Å; L22-L59 HydrophobicContact CD1-CD1 3.85Å; A55-L59 WeakPolarHBondContact O-CB 3.28Å; A55-L59 PolarHBondContact O-N 2.95Å; S56-L59 PolarHBondContact O-N 2.81Å; M57-L59 VanDerWaalsContact C-N 3.32Å; L59-M61 PolarHBondContact O-N 2.82Å; L59-A62 WeakPolarHBondContact O-CB 3.46Å; L59-A62 PolarHBondContact O-N 3.34Å; L59-I63 HydrophobicContact CD2-CD1 3.44Å; L59-I63 VanDerWaalsContact CD2-CD1 3.44Å; L59-I63 HydrophobicContact CD2-CG1 4.27Å; L59-I63 HydrophobicContact CG-CD1 4.47Å; L59-I63 VanDerWaalsContact O-CG1 3.31Å; L59-I63 WeakPolarHBondContact O-CG1 3.45Å; L59-I63 PolarHBondContact O-N 2.96Å; L59-A90 HydrophobicContact CB-CB 3.82Å; L59-A90 HydrophobicContact CD1-CB 4.42Å; L59-M91 HydrophobicContact CD1-CE 4.13Å
60L92.9Very high91.3Very high45 Ų4558 Ų5824%0.23631%0.312CS..Hα-helixtrans-63.3-41.7177.1-170.7126.4000112W19 S56 M57 A62 I63 L64W19-L60 HydrophobicContact CD2-CD1 3.92Å; W19-L60 HydrophobicContact CE3-CD1 4.39Å; W19-L60 HydrophobicContact CG-CD1 4.33Å; W19-L60 HydrophobicContact CH2-CD1 4.42Å; W19-L60 HydrophobicContact CZ2-CD1 3.92Å; S56-L60 WeakPolarHBondContact O-CB 3.48Å; S56-L60 PolarHBondContact O-N 3.38Å; M57-L60 PolarHBondContact O-N 3.21Å; L60-A62 VanDerWaalsContact C-N 3.3Å; L60-A62 PolarHBondContact O-N 3.45Å; L60-I63 PolarHBondContact O-N 2.92Å; L60-L64 HydrophobicContact CD2-CD1 3.71Å; L60-L64 HydrophobicContact CD2-CG 4.39Å; L60-L64 HydrophobicContact CG-CD1 4.45Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 3.27Å
61M91.6Very high90.7Very high116 Ų11655.8 Ų55.857%0.57131%0.313SS*.Hα-helixtrans-59.7-42.1174.1-174.560.6140.100111.5M57 I58 L59 L64 F65M57-M61 WeakPolarHBondContact O-CB 3.5Å; M57-M61 PolarHBondContact O-N 3.41Å; I58-M61 PolarHBondContact O-N 2.96Å; L59-M61 PolarHBondContact O-N 2.82Å; M61-L64 PolarHBondContact O-N 3.49Å; M61-F65 VanDerWaalsContact O-CB 3.26Å; M61-F65 WeakPolarHBondContact O-CB 3.31Å; M61-F65 PolarHBondContact O-N 3.06Å
62A90.1Very high90.1Very high0 Ų055.7 Ų55.70%031%0.307CS..Hα-helixtrans-64.6-41177.400000112.6I58 L59 L60 F65 N66 M86 I87I58-A62 WeakPolarHBondContact O-CB 3.44Å; I58-A62 PolarHBondContact O-N 2.98Å; L59-A62 WeakPolarHBondContact O-CB 3.46Å; L59-A62 PolarHBondContact O-N 3.34Å; L60-A62 VanDerWaalsContact C-N 3.3Å; L60-A62 PolarHBondContact O-N 3.45Å; A62-F65 PolarHBondContact O-N 3.42Å; A62-N66 WeakPolarHBondContact O-CB 3.29Å; A62-N66 PolarHBondContact O-N 2.73Å; A62-M86 HydrophobicContact CB-CB 3.55Å; A62-M86 HydrophobicContact CB-SD 4.44Å; A62-I87 HydrophobicContact CB-CG1 3.74Å
63I89.5Confident89.6Confident8 Ų856.8 Ų56.84%0.04131%0.308CS..Hα-helixtrans-62.8-48.8175.9-65.4166.8000110.4W15 W19 L59 L60 F65 N66 N67 W73W15-I63 HydrophobicContact CB-CB 4.37Å; W15-I63 HydrophobicContact CB-CD1 3.8Å; W15-I63 HydrophobicContact CB-CG1 3.79Å; W15-I63 HydrophobicContact CB-CG2 3.64Å; W15-I63 HydrophobicContact CD2-CD1 4.39Å; W15-I63 HydrophobicContact CD2-CG1 3.92Å; W15-I63 HydrophobicContact CE3-CD1 3.9Å; W15-I63 HydrophobicContact CE3-CG1 3.69Å; W15-I63 HydrophobicContact CG-CD1 4.41Å; W15-I63 HydrophobicContact CG-CG1 4Å; W15-I63 HydrophobicContact CG-CG2 4.29Å; W19-I63 HydrophobicContact CB-CD1 4.26Å; L59-I63 HydrophobicContact CD2-CD1 3.44Å; L59-I63 VanDerWaalsContact CD2-CD1 3.44Å; L59-I63 HydrophobicContact CD2-CG1 4.27Å; L59-I63 HydrophobicContact CG-CD1 4.47Å; L59-I63 VanDerWaalsContact O-CG1 3.31Å; L59-I63 WeakPolarHBondContact O-CG1 3.45Å; L59-I63 PolarHBondContact O-N 2.96Å; L60-I63 PolarHBondContact O-N 2.92Å; I63-F65 VanDerWaalsContact C-N 3.33Å; I63-F65 PolarHBondContact O-N 2.99Å; I63-N66 PolarHBondContact O-N 3.13Å; I63-N67 WeakPolarHBondContact O-CB 3.32Å; I63-N67 PolarHBondContact O-N 3.15Å; I63-W73 HydrophobicContact CG2-CE3 4.29Å; I63-W73 HydrophobicContact CG2-CZ3 4.11Å
64L90.4Very high89.2Confident75 Ų7558.7 Ų58.739%0.39332%0.317SS..Hα-helixtrans-62.7-42.4179.4-69.2177.4000111L60 M61 N67 M68 W73L60-L64 HydrophobicContact CD2-CD1 3.71Å; L60-L64 HydrophobicContact CD2-CG 4.39Å; L60-L64 HydrophobicContact CG-CD1 4.45Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 3.27Å; M61-L64 PolarHBondContact O-N 3.49Å; L64-N67 PolarHBondContact O-N 3.39Å; L64-M68 VanDerWaalsContact O-CG 3.31Å; L64-M68 WeakPolarHBondContact O-CG 3.44Å; L64-M68 PolarHBondContact O-N 3.11Å; L64-W73 HydrophobicContact CD2-CH2 4.38Å
65F88.7Confident88.3Confident60 Ų6058.7 Ų58.726%0.26331%0.312SS..Hα-helixtrans-62.9-43.7176-169.2-103.5000112.2M61 A62 I63 N67 M68 L69M61-F65 VanDerWaalsContact O-CB 3.26Å; M61-F65 WeakPolarHBondContact O-CB 3.31Å; M61-F65 PolarHBondContact O-N 3.06Å; A62-F65 PolarHBondContact O-N 3.42Å; I63-F65 VanDerWaalsContact C-N 3.33Å; I63-F65 PolarHBondContact O-N 2.99Å; F65-N67 VanDerWaalsContact C-N 3.34Å; F65-N67 PolarHBondContact O-N 3.13Å; F65-M68 HydrophobicContact CD2-CE 3.99Å; F65-M68 PolarHBondContact O-N 3.42Å; F65-L69 HydrophobicContact CD1-CD1 3.9Å; F65-L69 HydrophobicContact CE1-CD1 3.37Å; F65-L69 HydrophobicContact CE2-CD1 4.23Å; F65-L69 HydrophobicContact CZ-CD1 3.57Å; F65-L69 WeakPolarHBondContact O-CG 3.31Å; F65-L69 PolarHBondContact O-N 2.83Å
66N87.9Confident87.4Confident3 Ų360.4 Ų60.42%0.01632%0.321CS..Hα-helixtrans-60.4-44.1174.8-176.457.8000111.5A62 I63 L69 S70A62-N66 WeakPolarHBondContact O-CB 3.29Å; A62-N66 PolarHBondContact O-N 2.73Å; I63-N66 PolarHBondContact O-N 3.13Å; N66-L69 PolarHBondContact O-N 3.31Å; N66-S70 WeakPolarHBondContact O-CB 3.47Å; N66-S70 PolarHBondContact O-N 3Å; N66-S70 PolarHBondContact O-OG 3.36Å
67N87.5Confident86Confident35 Ų3567.2 Ų67.219%0.18736%0.356CS..Hα-helixtrans-69-37.2179.2-175.650.8000112.6I63 L64 F65 L69 G71 W73I63-N67 WeakPolarHBondContact O-CB 3.32Å; I63-N67 PolarHBondContact O-N 3.15Å; L64-N67 PolarHBondContact O-N 3.39Å; F65-N67 VanDerWaalsContact C-N 3.34Å; F65-N67 PolarHBondContact O-N 3.13Å; N67-L69 PolarHBondContact O-N 3.44Å; N67-G71 WeakPolarHBondContact O-CA 3.26Å; N67-G71 PolarHBondContact O-N 2.87Å; N67-G71 WeakPolarHBondContact OD1-CA 3.33Å; N67-W73 HydrophobicContact CB-CZ2 4.5Å; N67-W73 VanDerWaalsContact ND2-CE2 3.3Å; N67-W73 WeakPolarHBondContact ND2-CZ2 3.27Å; N67-W73 PolarHBondContact ND2-NE1 3.41Å; N67-W73 PolarHBondContact OD1-NE1 3.36Å
68M87.6Confident84.6Confident139 Ų13963.6 Ų63.669%0.68534%0.34SS*.Hα-helixtrans-60.8-33175.1-76.3-168.5-61.600112.6L64 F65L64-M68 VanDerWaalsContact O-CG 3.31Å; L64-M68 WeakPolarHBondContact O-CG 3.44Å; L64-M68 PolarHBondContact O-N 3.11Å; F65-M68 HydrophobicContact CD2-CE 3.99Å; F65-M68 PolarHBondContact O-N 3.42Å
69L85.4Confident83.1Confident99 Ų9965.9 Ų65.952%0.51836%0.358SS..Hα-helixtrans-93.4-36.4-176.1-64.2178.4000113.9F65 N66 N67 N80F65-L69 HydrophobicContact CD1-CD1 3.9Å; F65-L69 HydrophobicContact CE1-CD1 3.37Å; F65-L69 HydrophobicContact CE2-CD1 4.23Å; F65-L69 HydrophobicContact CZ-CD1 3.57Å; F65-L69 WeakPolarHBondContact O-CG 3.31Å; F65-L69 PolarHBondContact O-N 2.83Å; N66-L69 PolarHBondContact O-N 3.31Å; N67-L69 PolarHBondContact O-N 3.44Å; L69-N80 WeakPolarHBondContact CD1-ND2 3.49Å
70S83.3Confident82.3Confident39 Ų3967.6 Ų67.627%0.27337%0.367SS..Hα-helixtrans-108.2-18.4-174.768.40000114.1N66 Q72N66-S70 WeakPolarHBondContact O-CB 3.47Å; N66-S70 PolarHBondContact O-N 3Å; N66-S70 PolarHBondContact O-OG 3.36Å; S70-Q72 PolarHBondContact O-N 3.11Å; S70-Q72 PolarHBondContact OG-N 3.17Å
71G83.8Confident81.7Confident54 Ų5472.4 Ų72.456%0.55739%0.388SS*.  trans66.89.9-171.500000114.5N67N67-G71 WeakPolarHBondContact O-CA 3.26Å; N67-G71 PolarHBondContact O-N 2.87Å; N67-G71 WeakPolarHBondContact OD1-CA 3.33Å
72Q82.3Confident81.3Confident83 Ų8374.4 Ų74.439%0.38839%0.391SS..  trans-103130.8-176.7-62.4-172.41.600111.8S70 T76S70-Q72 PolarHBondContact O-N 3.11Å; S70-Q72 PolarHBondContact OG-N 3.17Å; Q72-T76 PolarHBondContact OE1-OG1 3.33Å
73W83.5Confident81Confident98 Ų9874.4 Ų74.437%0.37139%0.391SS..  trans-100.4-10.6173.8-69.292.5000113.9H14 W15 I63 L64 N67H14-W73 AromaticContact CE1-CD2 3.84Å; H14-W73 AromaticContact CE1-CE3 3.46Å; H14-W73 VanDerWaalsContact CE1-CE3 3.46Å; H14-W73 AromaticContact CE1-CG 3.99Å; H14-W73 VanDerWaalsContact NE2-CB 3.27Å; H14-W73 WeakPolarHBondContact NE2-CB 3.28Å; H14-W73 AromaticContact NE2-CD2 3.91Å; H14-W73 AromaticContact NE2-CG 3.65Å; W15-W73 PolarHBondContact N-O 3.45Å; I63-W73 HydrophobicContact CG2-CE3 4.29Å; I63-W73 HydrophobicContact CG2-CZ3 4.11Å; L64-W73 HydrophobicContact CD2-CH2 4.38Å; N67-W73 HydrophobicContact CB-CZ2 4.5Å; N67-W73 VanDerWaalsContact ND2-CE2 3.3Å; N67-W73 WeakPolarHBondContact ND2-CZ2 3.27Å; N67-W73 PolarHBondContact ND2-NE1 3.41Å; N67-W73 PolarHBondContact OD1-NE1 3.36Å
74T85.5Confident80.8Confident65 Ų6575.8 Ų75.840%0.39940%0.401SS..BIsolated β-bridgetrans-76.8151.3-178.944.50000111.1S13 W15 T76S13-T74 CarbonylContact O-C 3.55Å; S13-T74 WeakPolarHBondContact O-CA 3.45Å; W15-T74 PolarHBondContact NE1-O 3.47Å; T74-T76 PolarHBondContact O-N 3.48Å; T74-T76 WeakPolarHBondContact OG1-CG2 3.33Å
75M76.4Confident80.6Confident86 Ų8675.9 Ų75.942%0.42440%0.402SS..  trans-71.759.8170.2-62.2-72.6-66.800110.1S13 W15S13-M75 WeakPolarHBondContact O-CG 3.38Å; S13-M75 PolarHBondContact O-N 3.33Å; W15-M75 HydrophobicContact CD2-CE 4.34Å; W15-M75 HydrophobicContact CD2-SD 3.14Å; W15-M75 HydrophobicContact CE3-CE 4.24Å; W15-M75 HydrophobicContact CE3-SD 3.44Å; W15-M75 HydrophobicContact CG-SD 3.67Å; W15-M75 HydrophobicContact CH2-CE 3.54Å; W15-M75 HydrophobicContact CH2-SD 3.67Å; W15-M75 HydrophobicContact CZ2-CE 3.67Å; W15-M75 HydrophobicContact CZ2-SD 3.41Å; W15-M75 WeakPolarHBondContact CZ2-SD 3.44Å; W15-M75 HydrophobicContact CZ3-CE 3.86Å; W15-M75 HydrophobicContact CZ3-SD 3.69Å
76T74.8Confident80.6Confident57 Ų5775.6 Ų75.635%0.3540%0.402SS..  trans-83.9160.3167.551.10000108.9Q72 T74 T78Q72-T76 PolarHBondContact OE1-OG1 3.33Å; T74-T76 PolarHBondContact O-N 3.48Å; T74-T76 WeakPolarHBondContact OG1-CG2 3.33Å; T76-T78 PolarHBondContact O-N 3.28Å
77N65.3Low80.6Confident158 Ų15876.3 Ų76.385%0.84541%0.405SS*.  trans-54.3110.1171.6-76.4-10.3000108.3T79N77-T79 PolarHBondContact O-N 3.09Å; N77-T79 VanDerWaalsContact O-N 3.11Å
78T63.9Low80.6Confident39 Ų3980.7 Ų80.724%0.23943%0.426CS..  trans-57.4118.6-175.150.80000108.6W15 T76 N80 I87W15-T78 HydrophobicContact CZ2-CG2 4.17Å; T76-T78 PolarHBondContact O-N 3.28Å; T78-N80 PolarHBondContact O-N 2.69Å; T78-I87 HydrophobicContact CG2-CD1 4.01Å
79T62.8Low80.7Confident120 Ų12080 Ų8074%0.73642%0.423SS*.SBendtrans-74.5-15.8-175.953.90000112.4N77N77-T79 PolarHBondContact O-N 3.09Å; N77-T79 VanDerWaalsContact O-N 3.11Å
80N74.6Confident80.8Confident40 Ų4075.9 Ų75.921%0.21440%0.403CS..  trans-105.1125.2-177.4-163.7-50.7000113L69 T78 Y82 S83 S84L69-N80 WeakPolarHBondContact CD1-ND2 3.49Å; T78-N80 PolarHBondContact O-N 2.69Å; N80-Y82 VanDerWaalsContact C-N 3.3Å; N80-Y82 PolarHBondContact O-N 3.26Å; N80-Y82 WeakPolarHBondContact OD1-CB 3.42Å; N80-Y82 WeakPolarHBondContact OD1-CD2 3.47Å; N80-Y82 PolarHBondContact OD1-N 3.34Å; N80-S83 PolarHBondContact O-N 3.46Å; N80-S83 PolarHBondContact O-OG 3.3Å; N80-S84 PolarHBondContact O-N 2.91Å; N80-S84 PolarHBondContact O-OG 3.28Å
81Q81.2Confident80.7Confident147 Ų14779.6 Ų79.669%0.68742%0.417SS*.Hα-helixtrans-63.7-30.9-179.2-169.8173.4-5.400113.4S84 L85Q81-S84 WeakPolarHBondContact CA-OG 3.13Å; Q81-S84 PolarHBondContact O-OG 2.92Å; Q81-L85 HydrophobicContact CG-CD1 4.47Å; Q81-L85 VanDerWaalsContact O-CG 3.28Å; Q81-L85 WeakPolarHBondContact O-CG 3.26Å; Q81-L85 PolarHBondContact O-N 2.91Å; Q81-L85 VanDerWaalsContact O-N 3.11Å
82Y83.8Confident80.2Confident157 Ų15783.7 Ų83.762%0.61645%0.446SS*.Hα-helixtrans-72.6-43.7178.8-66.8-73.6000111.9N80 S84 L85 M86N80-Y82 VanDerWaalsContact C-N 3.3Å; N80-Y82 PolarHBondContact O-N 3.26Å; N80-Y82 WeakPolarHBondContact OD1-CB 3.42Å; N80-Y82 WeakPolarHBondContact OD1-CD2 3.47Å; N80-Y82 PolarHBondContact OD1-N 3.34Å; Y82-S84 VanDerWaalsContact C-N 3.33Å; Y82-S84 PolarHBondContact O-N 3.47Å; Y82-L85 PolarHBondContact O-N 3.42Å; Y82-M86 WeakPolarHBondContact O-CG 3.2Å; Y82-M86 PolarHBondContact O-N 2.87Å; Y82-M86 VanDerWaalsContact O-N 3.09Å
83S82.8Confident80.1Confident0 Ų083.8 Ų83.80%045%0.449CS..Hα-helixtrans-64.5-38.5175.3500000111.6N80 L85 M86 I87N80-S83 PolarHBondContact O-N 3.46Å; N80-S83 PolarHBondContact O-OG 3.3Å; S83-L85 VanDerWaalsContact C-N 3.35Å; S83-L85 PolarHBondContact O-N 3.42Å; S83-M86 PolarHBondContact O-N 3.3Å; S83-I87 WeakPolarHBondContact O-CD1 3.36Å; S83-I87 VanDerWaalsContact O-CG1 3.28Å; S83-I87 WeakPolarHBondContact O-CG1 3.46Å; S83-I87 PolarHBondContact O-N 2.92Å
84S84.9Confident79.9Confident37 Ų3783 Ų8326%0.25945%0.453SS..Hα-helixtrans-64.7-38.3176.959.30000112.5N80 Q81 Y82 I87 M88N80-S84 PolarHBondContact O-N 2.91Å; N80-S84 PolarHBondContact O-OG 3.28Å; Q81-S84 WeakPolarHBondContact CA-OG 3.13Å; Q81-S84 PolarHBondContact O-OG 2.92Å; Y82-S84 VanDerWaalsContact C-N 3.33Å; Y82-S84 PolarHBondContact O-N 3.47Å; S84-I87 PolarHBondContact O-N 3.47Å; S84-M88 WeakPolarHBondContact O-CG 3.09Å; S84-M88 PolarHBondContact O-N 2.88Å
85L87.7Confident79.6Confident78 Ų7884 Ų8441%0.40846%0.456SS..Hα-helixtrans-65.9-41.5175.8-75.6169.3000111.9Q81 Y82 S83 M88 M89Q81-L85 HydrophobicContact CG-CD1 4.47Å; Q81-L85 VanDerWaalsContact O-CG 3.28Å; Q81-L85 WeakPolarHBondContact O-CG 3.26Å; Q81-L85 PolarHBondContact O-N 2.91Å; Q81-L85 VanDerWaalsContact O-N 3.11Å; Y82-L85 PolarHBondContact O-N 3.42Å; S83-L85 VanDerWaalsContact C-N 3.35Å; S83-L85 PolarHBondContact O-N 3.42Å; L85-M88 HydrophobicContact CD2-CE 4.3Å; L85-M88 PolarHBondContact O-N 3.45Å; L85-M89 PolarHBondContact O-N 2.91Å
86M88.6Confident79.8Confident53 Ų5383.9 Ų83.926%0.26146%0.458SS..Hα-helixtrans-65.4-40.4176.5-65.7177.8-159.700111.9I58 A62 Y82 S83 M89 A90I58-M86 HydrophobicContact CG2-CB 4.39Å; A62-M86 HydrophobicContact CB-CB 3.55Å; A62-M86 HydrophobicContact CB-SD 4.44Å; Y82-M86 WeakPolarHBondContact O-CG 3.2Å; Y82-M86 PolarHBondContact O-N 2.87Å; Y82-M86 VanDerWaalsContact O-N 3.09Å; S83-M86 PolarHBondContact O-N 3.3Å; M86-M89 PolarHBondContact O-N 3.3Å; M86-A90 WeakPolarHBondContact O-CB 3.46Å; M86-A90 PolarHBondContact O-N 3.32Å
87I87.9Confident80.1Confident19 Ų1985.6 Ų85.610%0.09747%0.465CS..Hα-helixtrans-61.8-45174.2-68.8159.3000110.4W15 A62 T78 S83 S84 M89 A90 M91W15-I87 HydrophobicContact CH2-CD1 3.5Å; W15-I87 HydrophobicContact CH2-CG1 4.09Å; W15-I87 HydrophobicContact CH2-CG2 3.99Å; W15-I87 HydrophobicContact CZ2-CD1 3.71Å; W15-I87 HydrophobicContact CZ3-CD1 4.14Å; W15-I87 HydrophobicContact CZ3-CG1 4.35Å; W15-I87 HydrophobicContact CZ3-CG2 4.38Å; A62-I87 HydrophobicContact CB-CG1 3.74Å; T78-I87 HydrophobicContact CG2-CD1 4.01Å; S83-I87 WeakPolarHBondContact O-CD1 3.36Å; S83-I87 VanDerWaalsContact O-CG1 3.28Å; S83-I87 WeakPolarHBondContact O-CG1 3.46Å; S83-I87 PolarHBondContact O-N 2.92Å; S84-I87 PolarHBondContact O-N 3.47Å; I87-M89 PolarHBondContact O-N 3.26Å; I87-A90 PolarHBondContact O-N 3.23Å; I87-M91 HydrophobicContact CG2-CE 4.22Å; I87-M91 WeakPolarHBondContact O-CG 3.31Å; I87-M91 PolarHBondContact O-N 3.37Å; I87-M91 VanDerWaalsContact O-N 3.16Å
88M87.6Confident81.1Confident127 Ų12780.7 Ų80.763%0.62644%0.439SS*.Hα-helixtrans-62.7-42.2176.8-74.9-148.1-59.600112.3S84 L85 A90 M91 A92S84-M88 WeakPolarHBondContact O-CG 3.09Å; S84-M88 PolarHBondContact O-N 2.88Å; L85-M88 HydrophobicContact CD2-CE 4.3Å; L85-M88 PolarHBondContact O-N 3.45Å; M88-A90 VanDerWaalsContact C-N 3.28Å; M88-A90 PolarHBondContact O-N 2.96Å; M88-M91 PolarHBondContact O-N 2.85Å; M88-A92 PolarHBondContact O-N 2.85Å; M88-A92 VanDerWaalsContact O-N 3.12Å
89M88.1Confident82.3Confident125 Ų12583.7 Ų83.762%0.61645%0.453SS*.Hα-helixtrans-63.4-34.3175.6-79.1-170.5-82.900112.7L85 M86 I87 M91L85-M89 PolarHBondContact O-N 2.91Å; M86-M89 PolarHBondContact O-N 3.3Å; I87-M89 PolarHBondContact O-N 3.26Å; M89-M91 VanDerWaalsContact C-N 3.31Å
90A87.9Confident83.9Confident11 Ų1180.9 Ų80.99%0.09143%0.432CS..Hα-helixtrans-72.1-23.617700000113.6A55 I58 L59 M86 I87 M88A55-A90 WeakPolarHBondContact CB-O 3.45Å; A55-A90 WeakPolarHBondContact O-CB 3.45Å; I58-A90 HydrophobicContact CB-CB 4.18Å; I58-A90 HydrophobicContact CG2-CB 3.98Å; L59-A90 HydrophobicContact CB-CB 3.82Å; L59-A90 HydrophobicContact CD1-CB 4.42Å; M86-A90 WeakPolarHBondContact O-CB 3.46Å; M86-A90 PolarHBondContact O-N 3.32Å; I87-A90 PolarHBondContact O-N 3.23Å; M88-A90 VanDerWaalsContact C-N 3.28Å; M88-A90 PolarHBondContact O-N 2.96Å
91M81.8Confident84.6Confident118 Ų11884.3 Ų84.358%0.58145%0.45SS*.Hα-helixtrans-99.4-5.9-179.6-63.1-146.9-171.300114.2L59 I87 M88 M89L59-M91 HydrophobicContact CD1-CE 4.13Å; I87-M91 HydrophobicContact CG2-CE 4.22Å; I87-M91 WeakPolarHBondContact O-CG 3.31Å; I87-M91 PolarHBondContact O-N 3.37Å; I87-M91 VanDerWaalsContact O-N 3.16Å; M88-M91 PolarHBondContact O-N 2.85Å; M89-M91 VanDerWaalsContact C-N 3.31Å
92A73.1Confident84.9Confident140 Ų14078.6 Ų78.6100%1.15743%0.428SS*.  trans-79.10178.200000111.8M88M88-A92 PolarHBondContact O-N 2.85Å; M88-A92 VanDerWaalsContact O-N 3.12Å

Retrieved 92 of 92 residues in 134 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).