A0A087WTW1_HUMAN Loading...

Ankyrin repeat domain 34A

AlphaFold DB , UniProt , Accession A0A087WTW1, Species HUMAN (Homo sapiens, Human), Gene ANKRD34A, Length 118 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
1M35.8Very low66.3Low234 Ų234101.3 Ų101.3100%1.15350%0.5SS*.  0110.70-64.8173.2-15400105.9
2L34.6Very low68.7Low158 Ų15893 Ų9383%0.82746%0.46SS*.  trans-80.4122.5-172.5-71.6162.1000108.6T4L2-T4 HydrophobicContact CB-CG2 4.15Å; L2-T4 PolarHBondContact O-N 3.41Å
3H43.1Very low70.8Confident143 Ų14385.8 Ų85.866%0.66243%0.425SS*.  trans-66.660.1172.6-76.7-96.5000111.5E5 H7H3-E5 VanDerWaalsContact C-N 3.29Å; H3-H7 PolarHBondContact O-CE1 3.25Å; H3-H7 PolarHBondContact O-ND1 3.34Å
4T51.6Low72.4Confident96 Ų9682.3 Ų82.359%0.58942%0.421SS*.Hα-helixtrans-76.6-18.8178.345.90000112.7L2 H7 A8L2-T4 HydrophobicContact CB-CG2 4.15Å; L2-T4 PolarHBondContact O-N 3.41Å; T4-H7 PolarHBondContact O-N 3.41Å; T4-A8 PolarHBondContact O-N 2.92Å
5E50.8Low73.8Confident156 Ų15683.9 Ų83.973%0.72943%0.426SS*.Hα-helixtrans-71.5-45.7-174.7-65-176.7171.100112.5H3 H7 A8H3-E5 VanDerWaalsContact C-N 3.29Å; E5-H7 PolarHBondContact O-N 3.02Å; E5-A8 WeakPolarHBondContact O-CB 3.32Å; E5-A8 PolarHBondContact O-N 3.34Å
6G59.6Low75.1Confident6 Ų679.3 Ų79.36%0.06241%0.406CS..Hα-helixtrans-57.6-32.7174.200000114.1A8 L10 E33G6-A8 PolarHBondContact O-N 3.43Å; G6-L10 WeakPolarHBondContact O-CD1 3.14Å; G6-E33 WeakPolarHBondContact CA-OE1 3.35Å; G6-E33 WeakPolarHBondContact CA-OE2 3.34Å; G6-E33 PolarHBondContact N-OE2 3.46Å
7H77.9Confident76.3Confident89 Ų8980.6 Ų80.641%0.41241%0.409SS..Hα-helixtrans-75.5-23.4179.9-65.184.3000113.4H3 T4 E5 R11H3-H7 PolarHBondContact O-CE1 3.25Å; H3-H7 PolarHBondContact O-ND1 3.34Å; T4-H7 PolarHBondContact O-N 3.41Å; E5-H7 PolarHBondContact O-N 3.02Å; H7-R11 WeakPolarHBondContact O-CB 3.43Å; H7-R11 WeakPolarHBondContact O-CG 3.11Å; H7-R11 PolarHBondContact O-N 3.29Å
8A91.9Very high77.3Confident37 Ų3777.7 Ų77.731%0.30639%0.394SS..Hα-helixtrans-66.6-44.5-17700000111.1T4 E5 G6 R11 A12 L24T4-A8 PolarHBondContact O-N 2.92Å; E5-A8 WeakPolarHBondContact O-CB 3.32Å; E5-A8 PolarHBondContact O-N 3.34Å; G6-A8 PolarHBondContact O-N 3.43Å; A8-R11 PolarHBondContact O-N 2.94Å; A8-A12 WeakPolarHBondContact O-CB 3.38Å; A8-A12 PolarHBondContact O-N 2.87Å; A8-L24 HydrophobicContact CB-CD1 4.05Å; A8-L24 HydrophobicContact CB-CD2 4.04Å
9L95.8Very high78.3Confident4 Ų485.1 Ų85.12%0.02142%0.417CS..Hα-helixtrans-65.4-49.4179.1-179.163.1000111R11 A12 V13 A21 L24 L25 A41L9-R11 VanDerWaalsContact C-N 3.3Å; L9-R11 PolarHBondContact O-N 3.36Å; L9-A12 PolarHBondContact O-N 3.25Å; L9-V13 HydrophobicContact CD1-CG2 4.07Å; L9-V13 HydrophobicContact CG-CG2 4.39Å; L9-V13 WeakPolarHBondContact O-CB 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.39Å; L9-V13 PolarHBondContact O-N 3.34Å; L9-A21 HydrophobicContact CD1-CB 4.05Å; L9-L24 HydrophobicContact CB-CD1 4.49Å; L9-L24 HydrophobicContact CD1-CB 4.37Å; L9-L25 HydrophobicContact CD1-CD1 4.35Å; L9-L25 HydrophobicContact CD1-CD2 4.2Å; L9-L25 HydrophobicContact CD1-CG 3.97Å; L9-L25 HydrophobicContact CD2-CD2 3.58Å; L9-L25 HydrophobicContact CD2-CG 4.27Å; L9-A41 HydrophobicContact CD2-CB 3.82Å; L9-A41 HydrophobicContact CG-CB 3.92Å
10L94.8Very high79.2Confident16 Ų1684.6 Ų84.68%0.08442%0.415CS..Hα-helixtrans-55.7-45.2177.1-92.174.3000111.9G6 V13 G14 D35 E39 A41G6-L10 WeakPolarHBondContact O-CD1 3.14Å; L10-V13 PolarHBondContact O-N 3.07Å; L10-G14 PolarHBondContact O-N 3.18Å; L10-D35 HydrophobicContact CD2-CB 3.67Å; L10-E39 WeakPolarHBondContact CD2-O 3.41Å; L10-A41 HydrophobicContact CD1-CB 4.48Å
11R93.8Very high80Confident175 Ų17580.6 Ų80.666%0.6640%0.396SS*.Hα-helixtrans-65.9-41.8178.9-72.8177.568.9168.13.4112.2H7 A8 L9 V13 Q15H7-R11 WeakPolarHBondContact O-CB 3.43Å; H7-R11 WeakPolarHBondContact O-CG 3.11Å; H7-R11 PolarHBondContact O-N 3.29Å; A8-R11 PolarHBondContact O-N 2.94Å; L9-R11 VanDerWaalsContact C-N 3.3Å; L9-R11 PolarHBondContact O-N 3.36Å; R11-V13 VanDerWaalsContact C-N 3.34Å; R11-Q15 WeakPolarHBondContact O-CB 3.48Å; R11-Q15 VanDerWaalsContact O-CG 3.28Å; R11-Q15 WeakPolarHBondContact O-CG 3.32Å; R11-Q15 PolarHBondContact O-N 3.03Å
12A95.5Very high83Confident2 Ų274.5 Ų74.52%0.01736%0.36CS..Hα-helixtrans-61.9-44.9176.800000111.1A8 L9 Q15 G16 K17 L20 A21 L24A8-A12 WeakPolarHBondContact O-CB 3.38Å; A8-A12 PolarHBondContact O-N 2.87Å; L9-A12 PolarHBondContact O-N 3.25Å; A12-Q15 PolarHBondContact O-N 3.18Å; A12-G16 PolarHBondContact O-N 3.3Å; A12-K17 WeakPolarHBondContact O-CB 3.35Å; A12-K17 PolarHBondContact O-N 2.8Å; A12-L20 HydrophobicContact CB-CB 4.15Å; A12-L20 HydrophobicContact CB-CD2 3.79Å; A12-L20 HydrophobicContact CB-CG 3.81Å; A12-A21 HydrophobicContact CB-CB 4.45Å; A12-L24 HydrophobicContact CB-CD1 3.91Å
13V95.9Very high86Confident0 Ų072.3 Ų72.30%035%0.348CS..Hα-helixtrans-67-47.8178.1171.70000111.4L9 L10 R11 Q15 G16 A21 A41 A44 A45 Y50 M59 L63L9-V13 HydrophobicContact CD1-CG2 4.07Å; L9-V13 HydrophobicContact CG-CG2 4.39Å; L9-V13 WeakPolarHBondContact O-CB 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.39Å; L9-V13 PolarHBondContact O-N 3.34Å; L10-V13 PolarHBondContact O-N 3.07Å; R11-V13 VanDerWaalsContact C-N 3.34Å; V13-Q15 PolarHBondContact O-N 2.84Å; V13-Q15 VanDerWaalsContact O-N 3.1Å; V13-G16 PolarHBondContact O-N 2.98Å; V13-A21 HydrophobicContact CG2-CB 3.96Å; V13-A41 VanDerWaalsContact CG1-O 3.29Å; V13-A41 WeakPolarHBondContact CG1-O 3.19Å; V13-A41 HydrophobicContact CG2-CB 4.26Å; V13-A44 HydrophobicContact CG1-CB 4.34Å; V13-A45 HydrophobicContact CG1-CB 3.57Å; V13-Y50 VanDerWaalsContact O-CE1 3.3Å; V13-Y50 WeakPolarHBondContact O-CE1 3.18Å; V13-Y50 VanDerWaalsContact O-CZ 3.31Å; V13-Y50 PolarHBondContact O-OH 3.26Å; V13-M59 HydrophobicContact CG1-CG 4Å; V13-M59 HydrophobicContact CG1-SD 4.37Å; V13-M59 HydrophobicContact CG2-CE 4.47Å; V13-M59 HydrophobicContact CG2-SD 3.91Å; V13-L63 HydrophobicContact CG1-CD1 4.12Å; V13-L63 HydrophobicContact CG2-CD1 4.24Å; V13-L63 HydrophobicContact CG2-CD2 4.28Å
14G93.3Very high88.5Confident36 Ų3667.6 Ų67.637%0.37133%0.328SS..Hα-helixtrans-58.9-26178.200000113.6L10L10-G14 PolarHBondContact O-N 3.18Å
15Q92.8Very high90.7Very high106 Ų10663.9 Ų63.950%0.49530%0.304SS..THydrogen-bonded Turntrans-92.41.5175.1-66.2177.95.800114.1R11 A12 V13 K17R11-Q15 WeakPolarHBondContact O-CB 3.48Å; R11-Q15 VanDerWaalsContact O-CG 3.28Å; R11-Q15 WeakPolarHBondContact O-CG 3.32Å; R11-Q15 PolarHBondContact O-N 3.03Å; A12-Q15 PolarHBondContact O-N 3.18Å; V13-Q15 PolarHBondContact O-N 2.84Å; V13-Q15 VanDerWaalsContact O-N 3.1Å; Q15-K17 HydrophobicContact CB-CD 4.23Å; Q15-K17 HydrophobicContact CB-CG 4.08Å; Q15-K17 PolarHBondContact O-N 3.37Å
16G94.2Very high92.8Very high11 Ų1163 Ų6311%0.11330%0.3CS..THydrogen-bonded Turntrans70.417-179.500000114.4A12 V13 L18 Y50 N55A12-G16 PolarHBondContact O-N 3.3Å; V13-G16 PolarHBondContact O-N 2.98Å; G16-L18 VanDerWaalsContact C-N 3.29Å; G16-L18 PolarHBondContact O-N 3Å; G16-Y50 VanDerWaalsContact N-CE1 3.32Å; G16-N55 PolarHBondContact O-ND2 3.15Å
17K95.2Very high94.5Very high102 Ų10265.9 Ų65.944%0.44333%0.33SS..  trans-8170.6-177.2-67.6179.1171.4167.70111.4A12 Q15 R19 L20 A21A12-K17 WeakPolarHBondContact O-CB 3.35Å; A12-K17 PolarHBondContact O-N 2.8Å; Q15-K17 HydrophobicContact CB-CD 4.23Å; Q15-K17 HydrophobicContact CB-CG 4.08Å; Q15-K17 PolarHBondContact O-N 3.37Å; K17-R19 VanDerWaalsContact C-N 3.27Å; K17-R19 PolarHBondContact O-N 3.16Å; K17-L20 HydrophobicContact CB-CB 3.92Å; K17-L20 HydrophobicContact CD-CD2 4.07Å; K17-L20 PolarHBondContact O-N 2.99Å; K17-A21 PolarHBondContact O-N 2.88Å
18L95.7Very high95.3Very high28 Ų2864.7 Ų64.715%0.14734%0.342CS..Hα-helixtrans-52.7-41.1-176-179.560.4000113.5G16 L20 A21 R22 R58 M59 Y62G16-L18 VanDerWaalsContact C-N 3.29Å; G16-L18 PolarHBondContact O-N 3Å; L18-L20 VanDerWaalsContact C-N 3.35Å; L18-L20 PolarHBondContact O-N 3.35Å; L18-A21 PolarHBondContact O-N 3.23Å; L18-R22 WeakPolarHBondContact O-CG 3.5Å; L18-R22 PolarHBondContact O-N 3.27Å; L18-R58 HydrophobicContact CD2-CB 4.23Å; L18-M59 HydrophobicContact CB-CE 4Å; L18-M59 HydrophobicContact CD1-CE 4.31Å; L18-M59 HydrophobicContact CD1-SD 3.75Å; L18-Y62 HydrophobicContact CD1-CD1 3.94Å; L18-Y62 HydrophobicContact CD1-CG 4.21Å
19R96.3Very high95.4Very high218 Ų21864.2 Ų64.282%0.82334%0.338SS*.Hα-helixtrans-64.1-38.6177.6-68.7-174.9-179.7-179.40.1112.7K17 L23K17-R19 VanDerWaalsContact C-N 3.27Å; K17-R19 PolarHBondContact O-N 3.16Å; R19-L23 WeakPolarHBondContact O-CG 3.29Å; R19-L23 PolarHBondContact O-N 3.42Å
20L96.1Very high95.4Very high75 Ų7571.1 Ų71.139%0.39337%0.365SS..Hα-helixtrans-72-41177.8-178.759.8000110.9A12 K17 L18 R22 L23 L24A12-L20 HydrophobicContact CB-CB 4.15Å; A12-L20 HydrophobicContact CB-CD2 3.79Å; A12-L20 HydrophobicContact CB-CG 3.81Å; K17-L20 HydrophobicContact CB-CB 3.92Å; K17-L20 HydrophobicContact CD-CD2 4.07Å; K17-L20 PolarHBondContact O-N 2.99Å; L18-L20 VanDerWaalsContact C-N 3.35Å; L18-L20 PolarHBondContact O-N 3.35Å; L20-R22 VanDerWaalsContact C-N 3.29Å; L20-R22 PolarHBondContact O-N 3.03Å; L20-L23 PolarHBondContact O-N 3.29Å; L20-L24 HydrophobicContact CD1-CD1 4.47Å; L20-L24 HydrophobicContact CD1-CG 4.44Å; L20-L24 HydrophobicContact CG-CD1 4.14Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.41Å; L20-L24 PolarHBondContact O-N 3.17Å
21A96.6Very high95.5Very high0 Ų070.9 Ų70.90%036%0.364CS..Hα-helixtrans-58.7-41.5174.400000111.8L9 A12 V13 K17 L18 L24 L25 M59L9-A21 HydrophobicContact CD1-CB 4.05Å; A12-A21 HydrophobicContact CB-CB 4.45Å; V13-A21 HydrophobicContact CG2-CB 3.96Å; K17-A21 PolarHBondContact O-N 2.88Å; L18-A21 PolarHBondContact O-N 3.23Å; A21-L24 PolarHBondContact O-N 2.98Å; A21-L25 WeakPolarHBondContact O-CG 3.3Å; A21-L25 PolarHBondContact O-N 2.98Å; A21-L25 VanDerWaalsContact O-N 3.07Å; A21-M59 HydrophobicContact CB-CE 4.4Å; A21-M59 HydrophobicContact CB-SD 4.01Å
22R97.4Very high95.7Very high106 Ų10663.9 Ų63.940%0.434%0.34SS..Hα-helixtrans-57.2-54.3173.3-76.4169.1-179.8-127.7-2.4112.5L18 L20 L24 L25 E26 Y62L18-R22 WeakPolarHBondContact O-CG 3.5Å; L18-R22 PolarHBondContact O-N 3.27Å; L20-R22 VanDerWaalsContact C-N 3.29Å; L20-R22 PolarHBondContact O-N 3.03Å; R22-L24 PolarHBondContact O-N 3.06Å; R22-L25 PolarHBondContact O-N 3.41Å; R22-E26 WeakPolarHBondContact O-CB 3.33Å; R22-E26 VanDerWaalsContact O-CG 3.32Å; R22-E26 WeakPolarHBondContact O-CG 3.12Å; R22-E26 PolarHBondContact O-N 3.41Å; R22-Y62 WeakPolarHBondContact CA-OH 3.31Å; R22-Y62 HydrophobicContact CB-CE1 4.19Å; R22-Y62 HydrophobicContact CG-CD1 4.05Å; R22-Y62 HydrophobicContact CG-CE1 3.39Å; R22-Y62 HydrophobicContact CG-CE2 3.96Å
23L97.6Very high95.6Very high113 Ų11366.3 Ų66.359%0.59235%0.351SS*.Hα-helixtrans-58.3-37179.7-72.2171.5000112.6R19 L20 G27R19-L23 WeakPolarHBondContact O-CG 3.29Å; R19-L23 PolarHBondContact O-N 3.42Å; L20-L23 PolarHBondContact O-N 3.29Å; L23-G27 PolarHBondContact O-N 2.96Å
24L96.9Very high95.4Very high44 Ų4467.9 Ų67.923%0.2337%0.367CS..Hα-helixtrans-68.2-44.6178.1-70168.2000111.9A8 L9 A12 L20 A21 R22 G27 G28 A29A8-L24 HydrophobicContact CB-CD1 4.05Å; A8-L24 HydrophobicContact CB-CD2 4.04Å; L9-L24 HydrophobicContact CB-CD1 4.49Å; L9-L24 HydrophobicContact CD1-CB 4.37Å; A12-L24 HydrophobicContact CB-CD1 3.91Å; L20-L24 HydrophobicContact CD1-CD1 4.47Å; L20-L24 HydrophobicContact CD1-CG 4.44Å; L20-L24 HydrophobicContact CG-CD1 4.14Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.41Å; L20-L24 PolarHBondContact O-N 3.17Å; A21-L24 PolarHBondContact O-N 2.98Å; R22-L24 PolarHBondContact O-N 3.06Å; L24-G27 CarbonylContact O-C 3.49Å; L24-G27 PolarHBondContact O-N 3.18Å; L24-G28 PolarHBondContact O-N 3.45Å; L24-A29 HydrophobicContact CB-CB 4.17Å; L24-A29 WeakPolarHBondContact O-CB 3.35Å; L24-A29 PolarHBondContact O-N 3.48Å
25L96.4Very high95.4Very high17 Ų1767.9 Ų67.99%0.08936%0.359CS..Hα-helixtrans-68.8-42178.3-69.7176.4000112L9 A21 R22 G27 G28 A29 V31 Y62 L63 Q66L9-L25 HydrophobicContact CD1-CD1 4.35Å; L9-L25 HydrophobicContact CD1-CD2 4.2Å; L9-L25 HydrophobicContact CD1-CG 3.97Å; L9-L25 HydrophobicContact CD2-CD2 3.58Å; L9-L25 HydrophobicContact CD2-CG 4.27Å; A21-L25 WeakPolarHBondContact O-CG 3.3Å; A21-L25 PolarHBondContact O-N 2.98Å; A21-L25 VanDerWaalsContact O-N 3.07Å; R22-L25 PolarHBondContact O-N 3.41Å; L25-G27 PolarHBondContact O-N 3.48Å; L25-G28 PolarHBondContact O-N 2.81Å; L25-A29 HydrophobicContact CD2-CB 4.4Å; L25-A29 WeakPolarHBondContact CD2-O 3.3Å; L25-V31 HydrophobicContact CD1-CG2 4.28Å; L25-V31 HydrophobicContact CD2-CB 3.77Å; L25-V31 HydrophobicContact CD2-CG2 4.06Å; L25-Y62 HydrophobicContact CD1-CD1 4.47Å; L25-Y62 HydrophobicContact CD1-CE1 3.73Å; L25-L63 HydrophobicContact CD1-CD2 3.97Å; L25-Q66 HydrophobicContact CD1-CB 4.02Å; L25-Q66 HydrophobicContact CD1-CG 3.77Å
26E96.3Very high95.4Very high137 Ų13765.4 Ų65.464%0.6436%0.356SS*.Hα-helixtrans-62.1-31172.1-70.7167.7-172.500111.7R22 G28R22-E26 WeakPolarHBondContact O-CB 3.33Å; R22-E26 VanDerWaalsContact O-CG 3.32Å; R22-E26 WeakPolarHBondContact O-CG 3.12Å; R22-E26 PolarHBondContact O-N 3.41Å; E26-G28 PolarHBondContact O-N 3.46Å
27G95.1Very high95.4Very high67 Ų6770 Ų7069%0.69138%0.375SS*.THydrogen-bonded Turntrans-78.42.5173.400000115L23 L24 L25L23-G27 PolarHBondContact O-N 2.96Å; L24-G27 CarbonylContact O-C 3.49Å; L24-G27 PolarHBondContact O-N 3.18Å; L25-G27 PolarHBondContact O-N 3.48Å
28G93.6Very high95.4Very high65 Ų6566.1 Ų66.167%0.6736%0.364SS*.THydrogen-bonded Turntrans94.610.2175.200000115.7L24 L25 E26 Y30L24-G28 PolarHBondContact O-N 3.45Å; L25-G28 PolarHBondContact O-N 2.81Å; E26-G28 PolarHBondContact O-N 3.46Å; G28-Y30 PolarHBondContact O-N 3.17Å
29A94.4Very high95.4Very high27 Ų2766.2 Ų66.222%0.22336%0.363CS..  trans-58.8135.1170.800000110.3L24 L25 V31L24-A29 HydrophobicContact CB-CB 4.17Å; L24-A29 WeakPolarHBondContact O-CB 3.35Å; L24-A29 PolarHBondContact O-N 3.48Å; L25-A29 HydrophobicContact CD2-CB 4.4Å; L25-A29 WeakPolarHBondContact CD2-O 3.3Å; A29-V31 PolarHBondContact O-N 3.06Å
30Y95.7Very high95.4Very high149 Ų14956 Ų5658%0.58433%0.325SS*.  trans-78.9115.9-179.7-177.4-124.4000110.5G28 N32 E33G28-Y30 PolarHBondContact O-N 3.17Å; Y30-N32 HydrophobicContact CD1-CB 4.32Å; Y30-N32 HydrophobicContact CE1-CB 3.64Å; Y30-N32 HydrophobicContact CE2-CB 4.32Å; Y30-N32 PolarHBondContact O-N 3.44Å; Y30-N32 VanDerWaalsContact O-N 3.17Å; Y30-E33 HydrophobicContact CD1-CB 3.98Å; Y30-E33 VanDerWaalsContact CD1-N 3.33Å; Y30-E33 WeakPolarHBondContact O-CB 3.25Å; Y30-E33 PolarHBondContact O-N 2.98Å
31V96.9Very high95.4Very high11 Ų1152.4 Ų52.47%0.06731%0.306CS..THydrogen-bonded Turntrans-61-29.1-172.7710000113.9L25 A29 L63 Q66 A68L25-V31 HydrophobicContact CD1-CG2 4.28Å; L25-V31 HydrophobicContact CD2-CB 3.77Å; L25-V31 HydrophobicContact CD2-CG2 4.06Å; A29-V31 PolarHBondContact O-N 3.06Å; V31-L63 HydrophobicContact CG2-CD2 4.05Å; V31-Q66 HydrophobicContact CG2-CB 4.41Å; V31-A68 HydrophobicContact CG2-CB 3.79Å
32N97.4Very high95.5Very high28 Ų2852.4 Ų52.415%0.1531%0.306CS..THydrogen-bonded Turntrans-98.310.3-178.7-68.9-38000112.8Y30 G34 G67 A68 D69 I72Y30-N32 HydrophobicContact CD1-CB 4.32Å; Y30-N32 HydrophobicContact CE1-CB 3.64Å; Y30-N32 HydrophobicContact CE2-CB 4.32Å; Y30-N32 PolarHBondContact O-N 3.44Å; Y30-N32 VanDerWaalsContact O-N 3.17Å; N32-G34 PolarHBondContact O-N 3.03Å; N32-G67 PolarHBondContact ND2-O 2.98Å; N32-G67 VanDerWaalsContact ND2-O 3.15Å; N32-A68 VanDerWaalsContact OD1-CA 3.29Å; N32-A68 WeakPolarHBondContact OD1-CA 3.28Å; N32-D69 PolarHBondContact OD1-N 3.4Å; N32-I72 HydrophobicContact CB-CD1 3.65Å
33E94.2Very high95.4Very high52 Ų5247.4 Ų47.424%0.24329%0.287CS..  trans-65.6123.3171.3-162172.5173.200109.1G6 Y30G6-E33 WeakPolarHBondContact CA-OE1 3.35Å; G6-E33 WeakPolarHBondContact CA-OE2 3.34Å; G6-E33 PolarHBondContact N-OE2 3.46Å; Y30-E33 HydrophobicContact CD1-CB 3.98Å; Y30-E33 VanDerWaalsContact CD1-N 3.33Å; Y30-E33 WeakPolarHBondContact O-CB 3.25Å; Y30-E33 PolarHBondContact O-N 2.98Å
34G92.1Very high95.3Very high33 Ų3342.2 Ų42.234%0.3426%0.261SS..BIsolated β-bridgetrans-95.7153.517400000111.3N32 E39N32-G34 PolarHBondContact O-N 3.03Å; G34-E39 CarbonylContact C-O 3.58Å; G34-E39 VanDerWaalsContact CA-O 3.25Å; G34-E39 WeakPolarHBondContact CA-O 3.45Å
35D93.1Very high95.2Very high37 Ų3740.1 Ų40.120%0.19825%0.25CC..  trans-73.6-171.9169.969.72.9000112.7L10 Q37 G38 E39L10-D35 HydrophobicContact CD2-CB 3.67Å; D35-Q37 PolarHBondContact O-N 2.97Å; D35-Q37 VanDerWaalsContact OD1-CA 3.26Å; D35-Q37 WeakPolarHBondContact OD1-CA 3.21Å; D35-Q37 VanDerWaalsContact OD1-CB 3.31Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.46Å; D35-Q37 PolarHBondContact OD1-N 2.9Å; D35-Q37 PolarHBondContact OD2-OE1 3.4Å; D35-G38 PolarHBondContact O-N 2.82Å; D35-G38 PolarHBondContact OD1-N 2.97Å; D35-G38 VanDerWaalsContact OD1-N 3.09Å; D35-E39 PolarHBondContact N-O 3.12Å; D35-E39 WeakPolarHBondContact OD1-CB 3.36Å; D35-E39 PolarHBondContact OD1-N 3.05Å
36A92.9Very high95.1Very high54 Ų5439.3 Ų39.345%0.44625%0.246SC..THydrogen-bonded Turntrans-63.6-3175.300000113.3R75A36-R75 PolarHBondContact O-NE 2.89Å; A36-R75 VanDerWaalsContact O-NE 3.11Å; A36-R75 PolarHBondContact O-NH1 2.83Å; A36-R75 PolarHBondContact O-NH2 2.97Å
37Q93.4Very high94.8Very high108 Ų10838.8 Ų38.851%0.50524%0.238SC..THydrogen-bonded Turntrans-110.6-1.4175.4-73.166.524.600111.2D35 R75D35-Q37 PolarHBondContact O-N 2.97Å; D35-Q37 VanDerWaalsContact OD1-CA 3.26Å; D35-Q37 WeakPolarHBondContact OD1-CA 3.21Å; D35-Q37 VanDerWaalsContact OD1-CB 3.31Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.46Å; D35-Q37 PolarHBondContact OD1-N 2.9Å; D35-Q37 PolarHBondContact OD2-OE1 3.4Å; Q37-R75 WeakPolarHBondContact O-CB 3.49Å; Q37-R75 VanDerWaalsContact O-CG 3.3Å; Q37-R75 WeakPolarHBondContact O-CG 3.14Å; Q37-R75 PolarHBondContact O-N 3.31Å
38G94.9Very high94.6Very high20 Ų2036 Ų3621%0.20621%0.208CC..  trans73.611.8-170.700000112.8D35 T40D35-G38 PolarHBondContact O-N 2.82Å; D35-G38 PolarHBondContact OD1-N 2.97Å; D35-G38 VanDerWaalsContact OD1-N 3.09Å; G38-T40 PolarHBondContact O-N 3.27Å
39E95.2Very high94.3Very high30 Ų3043.6 Ų43.614%0.1422%0.217CC..  trans-69121.5173.4-173.6173.6-113.900108.1L10 G34 D35 M43 A44 R47L10-E39 WeakPolarHBondContact CD2-O 3.41Å; G34-E39 CarbonylContact C-O 3.58Å; G34-E39 VanDerWaalsContact CA-O 3.25Å; G34-E39 WeakPolarHBondContact CA-O 3.45Å; D35-E39 PolarHBondContact N-O 3.12Å; D35-E39 WeakPolarHBondContact OD1-CB 3.36Å; D35-E39 PolarHBondContact OD1-N 3.05Å; E39-M43 HydrophobicContact CG-CB 4Å; E39-A44 HydrophobicContact CG-CB 4.45Å; E39-R47 IonicContact OE1-CZ 3.75Å; E39-R47 VanDerWaalsContact OE1-CZ 3.27Å; E39-R47 IonicContact OE1-NE 2.87Å; E39-R47 PolarHBondContact OE1-NE 3.22Å; E39-R47 IonicContact OE1-NH2 3.27Å; E39-R47 PolarHBondContact OE1-NH2 3.14Å; E39-R47 IonicContact OE2-NH2 2.81Å; E39-R47 PolarHBondContact OE2-NH2 3.48Å
40T97.1Very high93.9Very high2 Ų243.8 Ų43.81%0.01221%0.212CC..BIsolated β-bridgetrans-91.7166.2174.4690000111.1G38 L42 M43 A44 I72G38-T40 PolarHBondContact O-N 3.27Å; T40-L42 PolarHBondContact O-N 3.31Å; T40-L42 PolarHBondContact OG1-N 3.31Å; T40-M43 HydrophobicContact CG2-CE 4.27Å; T40-M43 PolarHBondContact O-N 3.49Å; T40-M43 VanDerWaalsContact O-N 3.15Å; T40-M43 WeakPolarHBondContact OG1-CG 3.46Å; T40-M43 PolarHBondContact OG1-N 3.48Å; T40-A44 PolarHBondContact O-N 3.28Å; T40-I72 HydrophobicContact CG2-CB 4.14Å; T40-I72 HydrophobicContact CG2-CD1 4.16Å; T40-I72 HydrophobicContact CG2-CG2 3.61Å
41A96.9Very high93.3Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-53.1-40.1172.200000112.4L9 L10 V13 A44 A45 L63L9-A41 HydrophobicContact CD2-CB 3.82Å; L9-A41 HydrophobicContact CG-CB 3.92Å; L10-A41 HydrophobicContact CD1-CB 4.48Å; V13-A41 VanDerWaalsContact CG1-O 3.29Å; V13-A41 WeakPolarHBondContact CG1-O 3.19Å; V13-A41 HydrophobicContact CG2-CB 4.26Å; A41-A44 PolarHBondContact O-N 3.34Å; A41-A45 PolarHBondContact O-N 2.84Å; A41-L63 HydrophobicContact CB-CD1 4.25Å; A41-L63 HydrophobicContact CB-CD2 4.12Å
42L97.4Very high92.6Very high1 Ų148 Ų481%0.00524%0.244CC..Hα-helixtrans-66.4-40.4179.8-174.361.4000112.3T40 A45 C46 V60 L63 L64 A68 P70 A80 L97T40-L42 PolarHBondContact O-N 3.31Å; T40-L42 PolarHBondContact OG1-N 3.31Å; L42-A45 PolarHBondContact O-N 3.47Å; L42-C46 PolarHBondContact O-N 3.48Å; L42-C46 VanDerWaalsContact O-N 3.15Å; L42-C46 PolarHBondContact O-SG 3.27Å; L42-V60 HydrophobicContact CD1-CG1 4Å; L42-L63 HydrophobicContact CD1-CB 4.19Å; L42-L63 HydrophobicContact CD1-CD1 4.41Å; L42-L64 HydrophobicContact CD1-CD2 4.21Å; L42-L64 HydrophobicContact CD1-CG 4.14Å; L42-L64 HydrophobicContact CD2-CD2 3.71Å; L42-A68 HydrophobicContact CB-CB 4.18Å; L42-A68 HydrophobicContact CD2-CB 3.99Å; L42-P70 HydrophobicContact CD2-CB 3.97Å; L42-A80 HydrophobicContact CD2-CB 3.91Å; L42-A80 HydrophobicContact CG-CB 3.81Å; L42-L97 HydrophobicContact CD1-CD2 4.04Å; L42-L97 HydrophobicContact CD2-CD2 3.92Å; L42-L97 HydrophobicContact CG-CD2 4.13Å
43M96.3Very high91.5Very high1 Ų151.6 Ų51.61%0.00527%0.269CS..Hα-helixtrans-63.8-45.6173.9-64.1172.6-173.300111.5E39 T40 A45 C46 R47 I72 D74 R78 A80E39-M43 HydrophobicContact CG-CB 4Å; T40-M43 HydrophobicContact CG2-CE 4.27Å; T40-M43 PolarHBondContact O-N 3.49Å; T40-M43 VanDerWaalsContact O-N 3.15Å; T40-M43 WeakPolarHBondContact OG1-CG 3.46Å; T40-M43 PolarHBondContact OG1-N 3.48Å; M43-A45 VanDerWaalsContact C-N 3.29Å; M43-A45 PolarHBondContact O-N 3.39Å; M43-C46 WeakPolarHBondContact O-CB 3.33Å; M43-C46 PolarHBondContact O-N 3.15Å; M43-C46 VanDerWaalsContact O-N 3.1Å; M43-R47 PolarHBondContact O-N 2.94Å; M43-I72 HydrophobicContact CE-CB 4.38Å; M43-I72 HydrophobicContact CE-CG2 4.09Å; M43-I72 WeakPolarHBondContact CE-O 3.32Å; M43-D74 HydrophobicContact CE-CB 4.28Å; M43-D74 HydrophobicContact SD-CB 3.95Å; M43-R78 WeakPolarHBondContact CE-O 3.32Å; M43-A80 HydrophobicContact CG-CB 4.37Å
44A94.9Very high90.9Very high4 Ų454.8 Ų54.83%0.03328%0.284CS..Hα-helixtrans-58.3-41.5176.800000111.6V13 E39 T40 A41 C46 R47 A48V13-A44 HydrophobicContact CG1-CB 4.34Å; E39-A44 HydrophobicContact CG-CB 4.45Å; T40-A44 PolarHBondContact O-N 3.28Å; A41-A44 PolarHBondContact O-N 3.34Å; A44-C46 VanDerWaalsContact C-N 3.34Å; A44-C46 PolarHBondContact O-N 3.23Å; A44-R47 PolarHBondContact O-N 3.27Å; A44-A48 WeakPolarHBondContact O-CB 3.41Å; A44-A48 PolarHBondContact O-N 3.38Å
45A95.3Very high90.7Very high0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-61.9-40.2175.700000112.7V13 A41 L42 M43 Y50 M59 V60 L63V13-A45 HydrophobicContact CG1-CB 3.57Å; A41-A45 PolarHBondContact O-N 2.84Å; L42-A45 PolarHBondContact O-N 3.47Å; M43-A45 VanDerWaalsContact C-N 3.29Å; M43-A45 PolarHBondContact O-N 3.39Å; A45-Y50 WeakPolarHBondContact CA-OH 3.46Å; A45-M59 HydrophobicContact CB-CG 3.98Å; A45-V60 HydrophobicContact CB-CG2 3.86Å; A45-L63 HydrophobicContact CB-CD1 3.89Å
46C94.1Very high90.6Very high0 Ų054 Ų540%027%0.271CS..Hα-helixtrans-67.3-40.9179.2-66.30000111.9L42 M43 A44 K56 H83 A84L42-C46 PolarHBondContact O-N 3.48Å; L42-C46 VanDerWaalsContact O-N 3.15Å; L42-C46 PolarHBondContact O-SG 3.27Å; M43-C46 WeakPolarHBondContact O-CB 3.33Å; M43-C46 PolarHBondContact O-N 3.15Å; M43-C46 VanDerWaalsContact O-N 3.1Å; A44-C46 VanDerWaalsContact C-N 3.34Å; A44-C46 PolarHBondContact O-N 3.23Å; C46-K56 PolarHBondContact O-NZ 2.96Å; C46-H83 HydrophobicContact CB-CB 4.06Å; C46-A84 HydrophobicContact CB-CB 4Å
47R90.4Very high90.6Very high126 Ų12652.2 Ų52.248%0.47526%0.256SS..Hα-helixtrans-79.4-31.6-178.5-175.9175.76377.6-2.8114.2E39 M43 A44E39-R47 IonicContact OE1-CZ 3.75Å; E39-R47 VanDerWaalsContact OE1-CZ 3.27Å; E39-R47 IonicContact OE1-NE 2.87Å; E39-R47 PolarHBondContact OE1-NE 3.22Å; E39-R47 IonicContact OE1-NH2 3.27Å; E39-R47 PolarHBondContact OE1-NH2 3.14Å; E39-R47 IonicContact OE2-NH2 2.81Å; E39-R47 PolarHBondContact OE2-NH2 3.48Å; M43-R47 PolarHBondContact O-N 2.94Å; A44-R47 PolarHBondContact O-N 3.27Å
48A90Very high90.7Very high9 Ų954.3 Ų54.37%0.07426%0.26CS..  trans-62.3147.9-173.100000112.8A44 Y50 K56A44-A48 WeakPolarHBondContact O-CB 3.41Å; A44-A48 PolarHBondContact O-N 3.38Å; A48-Y50 HydrophobicContact CB-CD1 3.91Å; A48-Y50 HydrophobicContact CB-CE1 3.27Å; A48-K56 WeakPolarHBondContact O-CE 3.5Å; A48-K56 PolarHBondContact O-NZ 2.75Å
49R86.9Confident90.8Very high224 Ų22453.3 Ų53.385%0.84525%0.25SC*.  trans-99.4105.7171.7-66.3-177.3-177.7-88-1.7107.6
50Y87.1Confident90.9Very high30 Ų3051.9 Ų51.912%0.11824%0.243CC..  trans-95.7145.9173.6-55.1-30.1000109.4V13 G16 A45 A48 D52 N55 K56 M59V13-Y50 VanDerWaalsContact O-CE1 3.3Å; V13-Y50 WeakPolarHBondContact O-CE1 3.18Å; V13-Y50 VanDerWaalsContact O-CZ 3.31Å; V13-Y50 PolarHBondContact O-OH 3.26Å; G16-Y50 VanDerWaalsContact N-CE1 3.32Å; A45-Y50 WeakPolarHBondContact CA-OH 3.46Å; A48-Y50 HydrophobicContact CB-CD1 3.91Å; A48-Y50 HydrophobicContact CB-CE1 3.27Å; Y50-D52 PolarHBondContact O-N 3Å; Y50-N55 HydrophobicContact CD2-CB 4.33Å; Y50-K56 VanDerWaalsContact CD2-CA 3.44Å; Y50-K56 HydrophobicContact CD2-CB 3.65Å; Y50-K56 HydrophobicContact CD2-CG 4.26Å; Y50-K56 HydrophobicContact CE2-CB 4.01Å; Y50-K56 HydrophobicContact CE2-CG 4.2Å; Y50-M59 HydrophobicContact CE2-CB 4.15Å
51D83.3Confident90.9Very high175 Ų17557.5 Ų57.594%0.93626%0.264SS*.SBendtrans-65.1-31.2178.7-56.3-39.6000112
52D82.6Confident91Very high73 Ų7358.1 Ų58.139%0.3927%0.266SS..SBendtrans-104.3115.4174.7177.84000110.7Y50 Q54 N55Y50-D52 PolarHBondContact O-N 3Å; D52-Q54 PolarHBondContact O-N 2.92Å; D52-Q54 VanDerWaalsContact OD1-CB 3.31Å; D52-Q54 WeakPolarHBondContact OD1-CB 2.87Å; D52-Q54 PolarHBondContact OD1-N 3.11Å; D52-N55 HydrophobicContact CB-CB 4Å; D52-N55 VanDerWaalsContact O-CB 3.27Å; D52-N55 WeakPolarHBondContact O-CB 3.4Å; D52-N55 PolarHBondContact O-N 2.84Å
53P73.4Confident91Very high104 Ų10458 Ų5868%0.67527%0.266SS*.Hα-helixtrans-56.3-33.2175.5-24.533.6000113.8N55 K56P53-N55 VanDerWaalsContact C-N 3.27Å; P53-N55 PolarHBondContact O-N 3.32Å; P53-K56 PolarHBondContact O-N 3.09Å
54Q81.7Confident91.1Very high119 Ų11958.4 Ų58.456%0.55627%0.268SS*.Hα-helixtrans-70-28.6178.5-62.9-66.4-14.400111.7D52 K56 A57 R58D52-Q54 PolarHBondContact O-N 2.92Å; D52-Q54 VanDerWaalsContact OD1-CB 3.31Å; D52-Q54 WeakPolarHBondContact OD1-CB 2.87Å; D52-Q54 PolarHBondContact OD1-N 3.11Å; Q54-K56 PolarHBondContact O-N 2.94Å; Q54-A57 PolarHBondContact O-N 2.98Å; Q54-R58 WeakPolarHBondContact O-CB 3.37Å; Q54-R58 VanDerWaalsContact O-CG 3.27Å; Q54-R58 WeakPolarHBondContact O-CG 3.36Å; Q54-R58 PolarHBondContact O-N 2.98Å
55N87.8Confident91.3Very high37 Ų3763.5 Ų63.520%0.19829%0.291CS..Hα-helixtrans-65.1-30.4176.9-160.321.6000111.1G16 Y50 D52 P53 R58 M59G16-N55 PolarHBondContact O-ND2 3.15Å; Y50-N55 HydrophobicContact CD2-CB 4.33Å; D52-N55 HydrophobicContact CB-CB 4Å; D52-N55 VanDerWaalsContact O-CB 3.27Å; D52-N55 WeakPolarHBondContact O-CB 3.4Å; D52-N55 PolarHBondContact O-N 2.84Å; P53-N55 VanDerWaalsContact C-N 3.27Å; P53-N55 PolarHBondContact O-N 3.32Å; N55-R58 PolarHBondContact O-N 2.96Å; N55-M59 WeakPolarHBondContact O-CB 3.46Å; N55-M59 PolarHBondContact O-N 2.99Å
56K91.2Very high91.4Very high17 Ų1767.8 Ų67.87%0.07431%0.311CS..Hα-helixtrans-65.7-53.4176.9-172.5176.9-75.9-157.20111.6C46 A48 Y50 P53 Q54 R58 M59 V60 V93C46-K56 PolarHBondContact O-NZ 2.96Å; A48-K56 WeakPolarHBondContact O-CE 3.5Å; A48-K56 PolarHBondContact O-NZ 2.75Å; Y50-K56 VanDerWaalsContact CD2-CA 3.44Å; Y50-K56 HydrophobicContact CD2-CB 3.65Å; Y50-K56 HydrophobicContact CD2-CG 4.26Å; Y50-K56 HydrophobicContact CE2-CB 4.01Å; Y50-K56 HydrophobicContact CE2-CG 4.2Å; P53-K56 PolarHBondContact O-N 3.09Å; Q54-K56 PolarHBondContact O-N 2.94Å; K56-R58 VanDerWaalsContact C-N 3.27Å; K56-R58 PolarHBondContact O-N 3.37Å; K56-M59 PolarHBondContact O-N 2.95Å; K56-V60 HydrophobicContact CG-CG2 4.43Å; K56-V60 WeakPolarHBondContact O-CG2 3.27Å; K56-V60 PolarHBondContact O-N 2.91Å; K56-V93 HydrophobicContact CD-CG2 3.87Å; K56-V93 HydrophobicContact CG-CG2 3.82Å
57A93.2Very high91.6Very high16 Ų1669.9 Ų69.913%0.13233%0.333CS..Hα-helixtrans-60.4-38178.100000112Q54 R61 L96Q54-A57 PolarHBondContact O-N 2.98Å; A57-R61 WeakPolarHBondContact O-CB 3.3Å; A57-R61 PolarHBondContact O-N 3.33Å; A57-L96 HydrophobicContact CB-CD1 4.12Å
58R95.5Very high92Very high152 Ų15264.2 Ų64.257%0.57431%0.313SS*.Hα-helixtrans-65.7-44.1176.2-73.4173.9-179.3-179.81.2112.8L18 Q54 N55 K56 Y62L18-R58 HydrophobicContact CD2-CB 4.23Å; Q54-R58 WeakPolarHBondContact O-CB 3.37Å; Q54-R58 VanDerWaalsContact O-CG 3.27Å; Q54-R58 WeakPolarHBondContact O-CG 3.36Å; Q54-R58 PolarHBondContact O-N 2.98Å; N55-R58 PolarHBondContact O-N 2.96Å; K56-R58 VanDerWaalsContact C-N 3.27Å; K56-R58 PolarHBondContact O-N 3.37Å; R58-Y62 VanDerWaalsContact O-CB 3.3Å; R58-Y62 WeakPolarHBondContact O-CB 3.26Å; R58-Y62 PolarHBondContact O-N 2.89Å
59M96.6Very high92.4Very high0 Ų066.9 Ų66.90%033%0.326CS..Hα-helixtrans-63.8-50177.3-174.671.479.400111.1V13 L18 A21 A45 Y50 N55 K56 R61 Y62 L63V13-M59 HydrophobicContact CG1-CG 4Å; V13-M59 HydrophobicContact CG1-SD 4.37Å; V13-M59 HydrophobicContact CG2-CE 4.47Å; V13-M59 HydrophobicContact CG2-SD 3.91Å; L18-M59 HydrophobicContact CB-CE 4Å; L18-M59 HydrophobicContact CD1-CE 4.31Å; L18-M59 HydrophobicContact CD1-SD 3.75Å; A21-M59 HydrophobicContact CB-CE 4.4Å; A21-M59 HydrophobicContact CB-SD 4.01Å; A45-M59 HydrophobicContact CB-CG 3.98Å; Y50-M59 HydrophobicContact CE2-CB 4.15Å; N55-M59 WeakPolarHBondContact O-CB 3.46Å; N55-M59 PolarHBondContact O-N 2.99Å; K56-M59 PolarHBondContact O-N 2.95Å; M59-R61 PolarHBondContact O-N 2.78Å; M59-Y62 PolarHBondContact O-N 3.03Å; M59-L63 HydrophobicContact CG-CD1 4.19Å; M59-L63 WeakPolarHBondContact O-CG 3.42Å; M59-L63 PolarHBondContact O-N 3.31Å
60V97Very high92.9Very high0 Ų056.6 Ų56.60%029%0.288CS..Hα-helixtrans-58.8-50.3179169.30000110.8L42 A45 K56 Y62 L63 L64 V93 L96 L97L42-V60 HydrophobicContact CD1-CG1 4Å; A45-V60 HydrophobicContact CB-CG2 3.86Å; K56-V60 HydrophobicContact CG-CG2 4.43Å; K56-V60 WeakPolarHBondContact O-CG2 3.27Å; K56-V60 PolarHBondContact O-N 2.91Å; V60-Y62 VanDerWaalsContact C-N 3.31Å; V60-Y62 PolarHBondContact O-N 2.8Å; V60-L63 PolarHBondContact O-N 3.47Å; V60-L64 HydrophobicContact CG1-CD1 3.8Å; V60-L64 HydrophobicContact CG1-CG 4.46Å; V60-L64 WeakPolarHBondContact O-CG 3.37Å; V60-L64 PolarHBondContact O-N 3.42Å; V60-V93 HydrophobicContact CG1-CG1 4.27Å; V60-V93 HydrophobicContact CG2-CG1 4.03Å; V60-V93 HydrophobicContact CG2-CG2 4.44Å; V60-L96 HydrophobicContact CG1-CB 4.42Å; V60-L97 HydrophobicContact CG1-CD2 4.27Å; V60-L97 HydrophobicContact CG1-CG 4.46Å
61R97.6Very high93.5Very high120 Ų12058 Ų5845%0.45330%0.298SS..Hα-helixtrans-55.9-47.7177.5-177.8-171.5-60.8-97.70.4111.4A57 M59 L63 L64 E65 L96A57-R61 WeakPolarHBondContact O-CB 3.3Å; A57-R61 PolarHBondContact O-N 3.33Å; M59-R61 PolarHBondContact O-N 2.78Å; R61-L63 PolarHBondContact O-N 3.41Å; R61-L64 PolarHBondContact O-N 2.94Å; R61-E65 WeakPolarHBondContact CD-OE1 3.44Å; R61-E65 HydrophobicContact CG-CG 4.35Å; R61-E65 VanDerWaalsContact CG-OE1 3.3Å; R61-E65 WeakPolarHBondContact CG-OE1 3.32Å; R61-E65 WeakPolarHBondContact O-CB 3.29Å; R61-E65 WeakPolarHBondContact O-CG 3.39Å; R61-E65 PolarHBondContact O-N 3.19Å; R61-L96 HydrophobicContact CB-CD1 4.37Å
62Y98.2Very high94.2Very high12 Ų1251.9 Ų51.95%0.04726%0.264CS..Hα-helixtrans-61.7-44.7-179.3177.5-112.1000112L18 R22 L25 R58 M59 V60 L64 E65 Q66L18-Y62 HydrophobicContact CD1-CD1 3.94Å; L18-Y62 HydrophobicContact CD1-CG 4.21Å; R22-Y62 WeakPolarHBondContact CA-OH 3.31Å; R22-Y62 HydrophobicContact CB-CE1 4.19Å; R22-Y62 HydrophobicContact CG-CD1 4.05Å; R22-Y62 HydrophobicContact CG-CE1 3.39Å; R22-Y62 HydrophobicContact CG-CE2 3.96Å; L25-Y62 HydrophobicContact CD1-CD1 4.47Å; L25-Y62 HydrophobicContact CD1-CE1 3.73Å; R58-Y62 VanDerWaalsContact O-CB 3.3Å; R58-Y62 WeakPolarHBondContact O-CB 3.26Å; R58-Y62 PolarHBondContact O-N 2.89Å; M59-Y62 PolarHBondContact O-N 3.03Å; V60-Y62 VanDerWaalsContact C-N 3.31Å; V60-Y62 PolarHBondContact O-N 2.8Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 3.19Å; Y62-E65 PolarHBondContact O-N 3.31Å; Y62-Q66 HydrophobicContact CD2-CG 4.28Å; Y62-Q66 HydrophobicContact CE1-CG 4.07Å; Y62-Q66 HydrophobicContact CE2-CG 3.75Å; Y62-Q66 WeakPolarHBondContact O-CG 3.49Å; Y62-Q66 PolarHBondContact O-N 3.15Å
63L98.3Very high94.9Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-60.1-43.1176.7-67.9170.8000111.7V13 L25 V31 A41 L42 A45 M59 V60 R61 Q66 G67 A68V13-L63 HydrophobicContact CG1-CD1 4.12Å; V13-L63 HydrophobicContact CG2-CD1 4.24Å; V13-L63 HydrophobicContact CG2-CD2 4.28Å; L25-L63 HydrophobicContact CD1-CD2 3.97Å; V31-L63 HydrophobicContact CG2-CD2 4.05Å; A41-L63 HydrophobicContact CB-CD1 4.25Å; A41-L63 HydrophobicContact CB-CD2 4.12Å; L42-L63 HydrophobicContact CD1-CB 4.19Å; L42-L63 HydrophobicContact CD1-CD1 4.41Å; A45-L63 HydrophobicContact CB-CD1 3.89Å; M59-L63 HydrophobicContact CG-CD1 4.19Å; M59-L63 WeakPolarHBondContact O-CG 3.42Å; M59-L63 PolarHBondContact O-N 3.31Å; V60-L63 PolarHBondContact O-N 3.47Å; R61-L63 PolarHBondContact O-N 3.41Å; L63-Q66 CarbonylContact O-C 3.55Å; L63-Q66 PolarHBondContact O-N 2.65Å; L63-Q66 VanDerWaalsContact O-N 3.16Å; L63-G67 PolarHBondContact O-N 3.33Å; L63-A68 HydrophobicContact CB-CB 4.04Å; L63-A68 WeakPolarHBondContact O-CB 3.46Å; L63-A68 PolarHBondContact O-N 3.27Å
64L98.6Very high96Very high8 Ų846.6 Ų46.64%0.04224%0.237CC..Hα-helixtrans-63.6-40.9175.9-67.3167.4000112.3L42 V60 R61 Y62 Q66 G67 P70 L96 L97 H100L42-L64 HydrophobicContact CD1-CD2 4.21Å; L42-L64 HydrophobicContact CD1-CG 4.14Å; L42-L64 HydrophobicContact CD2-CD2 3.71Å; V60-L64 HydrophobicContact CG1-CD1 3.8Å; V60-L64 HydrophobicContact CG1-CG 4.46Å; V60-L64 WeakPolarHBondContact O-CG 3.37Å; V60-L64 PolarHBondContact O-N 3.42Å; R61-L64 PolarHBondContact O-N 2.94Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 3.19Å; L64-Q66 PolarHBondContact O-N 2.8Å; L64-G67 PolarHBondContact O-N 2.96Å; L64-P70 HydrophobicContact CD2-CB 4.43Å; L64-L96 HydrophobicContact CD1-CB 4.37Å; L64-L97 HydrophobicContact CD1-CD2 4.3Å; L64-L97 HydrophobicContact CD2-CD2 4.31Å; L64-H100 HydrophobicContact CB-CB 4.39Å; L64-H100 HydrophobicContact CD1-CB 4.02Å; L64-H100 HydrophobicContact CD2-CB 3.84Å; L64-H100 HydrophobicContact CG-CB 4.3Å
65E98.1Very high96.7Very high112 Ų11249.1 Ų49.152%0.52324%0.242SC..Hα-helixtrans-64-27174-73.4168.8177.700112.6R61 Y62 G67R61-E65 WeakPolarHBondContact CD-OE1 3.44Å; R61-E65 HydrophobicContact CG-CG 4.35Å; R61-E65 VanDerWaalsContact CG-OE1 3.3Å; R61-E65 WeakPolarHBondContact CG-OE1 3.32Å; R61-E65 WeakPolarHBondContact O-CB 3.29Å; R61-E65 WeakPolarHBondContact O-CG 3.39Å; R61-E65 PolarHBondContact O-N 3.19Å; Y62-E65 PolarHBondContact O-N 3.31Å; E65-G67 VanDerWaalsContact C-N 3.26Å
66Q98.1Very high97.1Very high89 Ų8951.7 Ų51.742%0.41626%0.255SS..THydrogen-bonded Turntrans-84.87.2172.3-61.5-51.9-71.500113.4L25 V31 Y62 L63 L64L25-Q66 HydrophobicContact CD1-CB 4.02Å; L25-Q66 HydrophobicContact CD1-CG 3.77Å; V31-Q66 HydrophobicContact CG2-CB 4.41Å; Y62-Q66 HydrophobicContact CD2-CG 4.28Å; Y62-Q66 HydrophobicContact CE1-CG 4.07Å; Y62-Q66 HydrophobicContact CE2-CG 3.75Å; Y62-Q66 WeakPolarHBondContact O-CG 3.49Å; Y62-Q66 PolarHBondContact O-N 3.15Å; L63-Q66 CarbonylContact O-C 3.55Å; L63-Q66 PolarHBondContact O-N 2.65Å; L63-Q66 VanDerWaalsContact O-N 3.16Å; L64-Q66 PolarHBondContact O-N 2.8Å
67G97.9Very high97.4Very high45 Ų4551.1 Ų51.146%0.46425%0.254SS..THydrogen-bonded Turntrans85.922.7176.600000114.7N32 L63 L64 E65 D69N32-G67 PolarHBondContact ND2-O 2.98Å; N32-G67 VanDerWaalsContact ND2-O 3.15Å; L63-G67 PolarHBondContact O-N 3.33Å; L64-G67 PolarHBondContact O-N 2.96Å; E65-G67 VanDerWaalsContact C-N 3.26Å; G67-D69 PolarHBondContact O-N 3.19Å
68A98.4Very high97.5Very high6 Ų654.5 Ų54.55%0.0526%0.263CS..  trans-59.5128.6169.200000110.5V31 N32 L42 L63 P70V31-A68 HydrophobicContact CG2-CB 3.79Å; N32-A68 VanDerWaalsContact OD1-CA 3.29Å; N32-A68 WeakPolarHBondContact OD1-CA 3.28Å; L42-A68 HydrophobicContact CB-CB 4.18Å; L42-A68 HydrophobicContact CD2-CB 3.99Å; L63-A68 HydrophobicContact CB-CB 4.04Å; L63-A68 WeakPolarHBondContact O-CB 3.46Å; L63-A68 PolarHBondContact O-N 3.27Å; A68-P70 WeakPolarHBondContact O-CD 3.23Å
69D98.6Very high97.6Very high66 Ų6647.3 Ų47.335%0.35324%0.236SC..  trans-85.8114.3177.3-178.8-6.5000109.8N32 G67 N71 I72N32-D69 PolarHBondContact OD1-N 3.4Å; G67-D69 PolarHBondContact O-N 3.19Å; D69-N71 PolarHBondContact O-N 3.07Å; D69-N71 WeakPolarHBondContact OD1-CB 3.45Å; D69-N71 PolarHBondContact OD1-N 3.21Å; D69-I72 HydrophobicContact CB-CD1 3.9Å; D69-I72 HydrophobicContact CB-CG1 3.93Å
70P98.3Very high97.6Very high7 Ų747.4 Ų47.45%0.04524%0.237CC..THydrogen-bonded Turntrans-71.2-13.2-179.831.3-36.2000114.3L42 L64 A68 L97 A102L42-P70 HydrophobicContact CD2-CB 3.97Å; L64-P70 HydrophobicContact CD2-CB 4.43Å; A68-P70 WeakPolarHBondContact O-CD 3.23Å; P70-L97 HydrophobicContact CB-CD2 4.08Å; P70-A102 HydrophobicContact CB-CB 3.8Å; P70-A102 HydrophobicContact CG-CB 4.06Å
71N98.1Very high97.6Very high60 Ų6047.6 Ų47.632%0.32124%0.238SC..THydrogen-bonded Turntrans-97.8-2-175.1-62.7-48.8000113.7D69 A73 G101 A102 D103D69-N71 PolarHBondContact O-N 3.07Å; D69-N71 WeakPolarHBondContact OD1-CB 3.45Å; D69-N71 PolarHBondContact OD1-N 3.21Å; N71-A73 PolarHBondContact O-N 3Å; N71-G101 PolarHBondContact ND2-O 3.22Å; N71-A102 WeakPolarHBondContact OD1-CA 3.33Å; N71-D103 PolarHBondContact OD1-N 3.05Å
72I98.1Very high97.5Very high46 Ų4642.4 Ų42.424%0.23622%0.219CC..  trans-57.3134.4166.6-65.8171.2000108N32 T40 M43 D69N32-I72 HydrophobicContact CB-CD1 3.65Å; T40-I72 HydrophobicContact CG2-CB 4.14Å; T40-I72 HydrophobicContact CG2-CD1 4.16Å; T40-I72 HydrophobicContact CG2-CG2 3.61Å; M43-I72 HydrophobicContact CE-CB 4.38Å; M43-I72 HydrophobicContact CE-CG2 4.09Å; M43-I72 WeakPolarHBondContact CE-O 3.32Å; D69-I72 HydrophobicContact CB-CD1 3.9Å; D69-I72 HydrophobicContact CB-CG1 3.93Å
73A97.1Very high97.2Very high49 Ų4942.3 Ų42.341%0.40522%0.219SC..  trans-107.4137.4177.400000110.2N71 R78N71-A73 PolarHBondContact O-N 3Å; A73-R78 WeakPolarHBondContact CA-O 3.48Å
74D96.8Very high96.9Very high17 Ų1742.4 Ų42.49%0.09122%0.22CC..  trans-71.6179.6170.670.820000111M43 L76 G77 R78 H83M43-D74 HydrophobicContact CE-CB 4.28Å; M43-D74 HydrophobicContact SD-CB 3.95Å; D74-L76 PolarHBondContact O-N 2.95Å; D74-L76 WeakPolarHBondContact OD1-CA 3.34Å; D74-L76 WeakPolarHBondContact OD1-CB 3.39Å; D74-L76 PolarHBondContact OD1-N 2.95Å; D74-G77 PolarHBondContact O-N 2.92Å; D74-G77 PolarHBondContact OD1-N 3.21Å; D74-R78 PolarHBondContact N-O 2.91Å; D74-R78 WeakPolarHBondContact OD1-CB 3.4Å; D74-R78 PolarHBondContact OD1-N 3.13Å; D74-R78 IonicContact OD2-NE 3.46Å; D74-H83 IonicContact OD2-CE1 2.99Å; D74-H83 PolarHBondContact OD2-CE1 3.23Å; D74-H83 IonicContact OD2-NE2 2.92Å; D74-H83 PolarHBondContact OD2-NE2 3.35Å
75R97.1Very high96.5Very high173 Ų17344.2 Ų44.265%0.65323%0.233SC*.THydrogen-bonded Turntrans-61.3-10.5179.6-77.8-175.6179.6177.80.7115.3A36 Q37 H109A36-R75 PolarHBondContact O-NE 2.89Å; A36-R75 VanDerWaalsContact O-NE 3.11Å; A36-R75 PolarHBondContact O-NH1 2.83Å; A36-R75 PolarHBondContact O-NH2 2.97Å; Q37-R75 WeakPolarHBondContact O-CB 3.49Å; Q37-R75 VanDerWaalsContact O-CG 3.3Å; Q37-R75 WeakPolarHBondContact O-CG 3.14Å; Q37-R75 PolarHBondContact O-N 3.31Å; R75-H109 PolarHBondContact O-CE1 2.83Å; R75-H109 PolarHBondContact O-ND1 2.72Å
76L96.3Very high96Very high91 Ų9142.6 Ų42.648%0.47624%0.238SC..THydrogen-bonded Turntrans-103.56.9176.5-65.6166.1000111.7D74 R78 D108 H109D74-L76 PolarHBondContact O-N 2.95Å; D74-L76 WeakPolarHBondContact OD1-CA 3.34Å; D74-L76 WeakPolarHBondContact OD1-CB 3.39Å; D74-L76 PolarHBondContact OD1-N 2.95Å; L76-R78 VanDerWaalsContact C-N 3.28Å; L76-R78 HydrophobicContact CB-CG 4.36Å; L76-D108 WeakPolarHBondContact O-CB 3.48Å; L76-H109 PolarHBondContact O-N 3.45Å
77G97.3Very high94.7Very high5 Ų539.1 Ų39.15%0.05223%0.227CC..SBendtrans78.511.8-177.400000112.8D74 D108D74-G77 PolarHBondContact O-N 2.92Å; D74-G77 PolarHBondContact OD1-N 3.21Å; G77-D108 WeakPolarHBondContact O-CA 3.4Å
78R96.6Very high93.3Very high87 Ų8740 Ų4033%0.32824%0.236SC..  trans-89.7130.6-174.2-63.1-178.1-80.3167.3-11.2111.6M43 A73 D74 L76 M82 D108M43-R78 WeakPolarHBondContact CE-O 3.32Å; A73-R78 WeakPolarHBondContact CA-O 3.48Å; D74-R78 PolarHBondContact N-O 2.91Å; D74-R78 WeakPolarHBondContact OD1-CB 3.4Å; D74-R78 PolarHBondContact OD1-N 3.13Å; D74-R78 IonicContact OD2-NE 3.46Å; L76-R78 VanDerWaalsContact C-N 3.28Å; L76-R78 HydrophobicContact CB-CG 4.36Å; R78-M82 VanDerWaalsContact CA-SD 3.58Å; R78-M82 HydrophobicContact CB-CB 4.45Å; R78-M82 HydrophobicContact CB-SD 4.04Å; R78-M82 HydrophobicContact CG-SD 4.09Å; R78-D108 HydrophobicContact CG-CB 3.81Å
79T97.3Very high91.7Very high1 Ų140.3 Ų40.31%0.00624%0.239CC..  trans-93.4169.2177.864.60000111.8L81 M82 H83 V106T79-L81 PolarHBondContact O-N 3.46Å; T79-M82 PolarHBondContact O-N 3.39Å; T79-M82 VanDerWaalsContact O-N 3.14Å; T79-H83 PolarHBondContact O-CD2 3.46Å; T79-H83 PolarHBondContact O-N 3.34Å; T79-H83 VanDerWaalsContact O-N 3.13Å; T79-V106 HydrophobicContact CG2-CB 4.13Å; T79-V106 HydrophobicContact CG2-CG1 3.7Å; T79-V106 HydrophobicContact CG2-CG2 4.46Å
80A96.8Very high90.6Very high1 Ų139.3 Ų39.31%0.00824%0.244CC..Hα-helixtrans-55-36.817600000112.7L42 M43 H83 A84 L97L42-A80 HydrophobicContact CD2-CB 3.91Å; L42-A80 HydrophobicContact CG-CB 3.81Å; M43-A80 HydrophobicContact CG-CB 4.37Å; A80-H83 PolarHBondContact O-N 3.17Å; A80-A84 PolarHBondContact O-N 3.15Å; A80-L97 HydrophobicContact CB-CD1 4.36Å; A80-L97 HydrophobicContact CB-CD2 3.99Å
81L96.1Very high90Very high5 Ų542.9 Ų42.93%0.02628%0.275CS..Hα-helixtrans-66.3-40.7179-173.962.5000112.3T79 A84 C85 A94 L97 L98 A102 P104 A114T79-L81 PolarHBondContact O-N 3.46Å; L81-A84 WeakPolarHBondContact O-CB 3.37Å; L81-A84 PolarHBondContact O-N 3.1Å; L81-C85 PolarHBondContact O-N 3.45Å; L81-C85 PolarHBondContact O-SG 2.95Å; L81-C85 VanDerWaalsContact O-SG 3.34Å; L81-A94 HydrophobicContact CD1-CB 3.93Å; L81-L97 HydrophobicContact CB-CD1 4.29Å; L81-L97 HydrophobicContact CD1-CB 4.19Å; L81-L97 HydrophobicContact CD1-CD1 4.06Å; L81-L98 HydrophobicContact CD2-CD2 3.92Å; L81-L98 HydrophobicContact CD2-CG 4.48Å; L81-A102 HydrophobicContact CB-CB 4.36Å; L81-A102 HydrophobicContact CD2-CB 4.34Å; L81-P104 HydrophobicContact CD2-CB 3.91Å; L81-A114 HydrophobicContact CB-CB 4.32Å; L81-A114 HydrophobicContact CD2-CB 3.74Å; L81-A114 HydrophobicContact CG-CB 3.66Å
82M94.8Very high89.6Confident10 Ų1043 Ų435%0.04928%0.284CS..Hα-helixtrans-63.4-42.6174.7-62.7174.3-171.900111.5R78 T79 A84 C85 A86 V106 D108 A114R78-M82 VanDerWaalsContact CA-SD 3.58Å; R78-M82 HydrophobicContact CB-CB 4.45Å; R78-M82 HydrophobicContact CB-SD 4.04Å; R78-M82 HydrophobicContact CG-SD 4.09Å; T79-M82 PolarHBondContact O-N 3.39Å; T79-M82 VanDerWaalsContact O-N 3.14Å; M82-A84 VanDerWaalsContact C-N 3.3Å; M82-A84 PolarHBondContact O-N 3.34Å; M82-C85 PolarHBondContact O-N 3.01Å; M82-A86 WeakPolarHBondContact O-CB 3.48Å; M82-A86 PolarHBondContact O-N 3.48Å; M82-V106 HydrophobicContact CE-CB 4.18Å; M82-V106 HydrophobicContact CE-CG1 3.99Å; M82-V106 WeakPolarHBondContact CE-O 3.5Å; M82-D108 HydrophobicContact CE-CB 4.35Å; M82-D108 HydrophobicContact SD-CB 3.98Å; M82-A114 HydrophobicContact CG-CB 4.12Å
83H93.6Very high89.3Confident10 Ų1040.9 Ų40.95%0.04627%0.273CS..Hα-helixtrans-62.8-35.9174.8-75.6-71.9000112.1C46 D74 T79 A80 G87C46-H83 HydrophobicContact CB-CB 4.06Å; D74-H83 IonicContact OD2-CE1 2.99Å; D74-H83 PolarHBondContact OD2-CE1 3.23Å; D74-H83 IonicContact OD2-NE2 2.92Å; D74-H83 PolarHBondContact OD2-NE2 3.35Å; T79-H83 PolarHBondContact O-CD2 3.46Å; T79-H83 PolarHBondContact O-N 3.34Å; T79-H83 VanDerWaalsContact O-N 3.13Å; A80-H83 PolarHBondContact O-N 3.17Å; H83-G87 WeakPolarHBondContact O-CA 3.31Å; H83-G87 PolarHBondContact O-N 3.04Å
84A92.1Very high89.2Confident3 Ų339.6 Ų39.63%0.02526%0.262CS..Hα-helixtrans-66.2-42.7176.200000112.6C46 A80 L81 M82 G89 V93 L97C46-A84 HydrophobicContact CB-CB 4Å; A80-A84 PolarHBondContact O-N 3.15Å; L81-A84 WeakPolarHBondContact O-CB 3.37Å; L81-A84 PolarHBondContact O-N 3.1Å; M82-A84 VanDerWaalsContact C-N 3.3Å; M82-A84 PolarHBondContact O-N 3.34Å; A84-G89 PolarHBondContact O-N 3.27Å; A84-V93 HydrophobicContact CB-CG1 3.76Å; A84-L97 HydrophobicContact CB-CD1 3.8Å
85C89.4Confident89Confident46 Ų4642.2 Ų42.231%0.31128%0.282SS..Hα-helixtrans-65.4-45.6176.6-63.50000111.6L81 M82 H117L81-C85 PolarHBondContact O-N 3.45Å; L81-C85 PolarHBondContact O-SG 2.95Å; L81-C85 VanDerWaalsContact O-SG 3.34Å; M82-C85 PolarHBondContact O-N 3.01Å; C85-H117 HydrophobicContact CB-CB 4.02Å
86A86.9Confident89Confident77 Ų7734.9 Ų34.964%0.63626%0.256SS*.Hα-helixtrans-73.8-34.7-179.300000113.5M82 G88M82-A86 WeakPolarHBondContact O-CB 3.48Å; M82-A86 PolarHBondContact O-N 3.48Å; A86-G88 VanDerWaalsContact C-N 3.33Å; A86-G88 PolarHBondContact O-N 3.46Å
87G72.3Confident89Confident17 Ų1730.6 Ų30.618%0.17523%0.233CC..THydrogen-bonded Turntrans-85.54.4-173.100000115.4H83 G89H83-G87 WeakPolarHBondContact O-CA 3.31Å; H83-G87 PolarHBondContact O-N 3.04Å; G87-G89 VanDerWaalsContact C-N 3.29Å; G87-G89 PolarHBondContact O-N 2.99Å
88G67.9Low89Confident64 Ų6434.2 Ų34.266%0.6625%0.251SS*.THydrogen-bonded Turntrans66.330.8-175.600000112.8A86 G90A86-G88 VanDerWaalsContact C-N 3.33Å; A86-G88 PolarHBondContact O-N 3.46Å; G88-G90 PolarHBondContact O-N 2.81Å; G88-G90 VanDerWaalsContact O-N 3.14Å
89G65.2Low89.1Confident11 Ų1134.1 Ų34.111%0.11327%0.269CS..  trans-61.3-16.417600000113.6A84 G87 V93A84-G89 PolarHBondContact O-N 3.27Å; G87-G89 VanDerWaalsContact C-N 3.29Å; G87-G89 PolarHBondContact O-N 2.99Å; G89-V93 WeakPolarHBondContact O-CB 3.41Å; G89-V93 WeakPolarHBondContact O-CG2 3.19Å
90G75.4Confident89.1Confident45 Ų4538 Ų3846%0.46429%0.287SS..Hα-helixtrans76162.6177.200000112.7G88 A92 V93 A94G88-G90 PolarHBondContact O-N 2.81Å; G88-G90 VanDerWaalsContact O-N 3.14Å; G90-A92 PolarHBondContact O-N 2.87Å; G90-V93 PolarHBondContact O-N 3.36Å; G90-V93 VanDerWaalsContact O-N 3.1Å; G90-A94 PolarHBondContact O-N 2.89Å
91A85.4Confident89.2Confident83 Ų8340.3 Ų40.369%0.68631%0.31SS*.Hα-helixtrans-56-27.6-177.100000113.5S95A91-S95 VanDerWaalsContact O-CB 3.3Å; A91-S95 WeakPolarHBondContact O-CB 3.45Å; A91-S95 PolarHBondContact O-N 2.6Å; A91-S95 PolarHBondContact O-OG 3.1Å
92A89.3Confident89.2Confident63 Ų6340.4 Ų40.452%0.52131%0.312SS..Hα-helixtrans-66.1-42.8177.900000112.8G90 L96G90-A92 PolarHBondContact O-N 2.87Å; A92-L96 WeakPolarHBondContact O-CG 3.27Å; A92-L96 PolarHBondContact O-N 3.47Å; A92-L96 VanDerWaalsContact O-N 3.07Å
93V92.9Very high89.3Confident1 Ų143 Ų431%0.00633%0.326CS..Hα-helixtrans-70.6-43.1178.6170.70000110.7K56 V60 A84 G89 G90 S95 L96 L97K56-V93 HydrophobicContact CD-CG2 3.87Å; K56-V93 HydrophobicContact CG-CG2 3.82Å; V60-V93 HydrophobicContact CG1-CG1 4.27Å; V60-V93 HydrophobicContact CG2-CG1 4.03Å; V60-V93 HydrophobicContact CG2-CG2 4.44Å; A84-V93 HydrophobicContact CB-CG1 3.76Å; G89-V93 WeakPolarHBondContact O-CB 3.41Å; G89-V93 WeakPolarHBondContact O-CG2 3.19Å; G90-V93 PolarHBondContact O-N 3.36Å; G90-V93 VanDerWaalsContact O-N 3.1Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 2.87Å; V93-L96 WeakPolarHBondContact O-CB 3.3Å; V93-L96 PolarHBondContact O-N 2.73Å; V93-L97 HydrophobicContact CG1-CD1 4.06Å; V93-L97 HydrophobicContact CG1-CG 4.5Å; V93-L97 WeakPolarHBondContact O-CG 3.33Å; V93-L97 PolarHBondContact O-N 3.02Å
94A93.5Very high89.4Confident21 Ų2144.6 Ų44.617%0.17434%0.337CS..Hα-helixtrans-59-45175.300000111.5L81 G90 L96 L97 L98L81-A94 HydrophobicContact CD1-CB 3.93Å; G90-A94 PolarHBondContact O-N 2.89Å; A94-L96 VanDerWaalsContact C-N 3.32Å; A94-L96 PolarHBondContact O-N 3.39Å; A94-L97 PolarHBondContact O-N 2.99Å; A94-L98 VanDerWaalsContact O-CG 3.32Å; A94-L98 WeakPolarHBondContact O-CG 3Å; A94-L98 PolarHBondContact O-N 2.83Å
95S94.1Very high89.4Confident72 Ų7248 Ų4850%0.50336%0.36SS..Hα-helixtrans-59.7-40.8175.8-60.80000112.5A91 V93 A99A91-S95 VanDerWaalsContact O-CB 3.3Å; A91-S95 WeakPolarHBondContact O-CB 3.45Å; A91-S95 PolarHBondContact O-N 2.6Å; A91-S95 PolarHBondContact O-OG 3.1Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 2.87Å; S95-A99 WeakPolarHBondContact O-CB 3.3Å; S95-A99 PolarHBondContact O-N 2.89Å
96L95.9Very high89.6Confident20 Ų2047.7 Ų47.711%0.10536%0.357CS..Hα-helixtrans-63.4-46.5176.1-77.3168.5000111.9A57 V60 R61 L64 A92 V93 A94 L98 A99 H100A57-L96 HydrophobicContact CB-CD1 4.12Å; V60-L96 HydrophobicContact CG1-CB 4.42Å; R61-L96 HydrophobicContact CB-CD1 4.37Å; L64-L96 HydrophobicContact CD1-CB 4.37Å; A92-L96 WeakPolarHBondContact O-CG 3.27Å; A92-L96 PolarHBondContact O-N 3.47Å; A92-L96 VanDerWaalsContact O-N 3.07Å; V93-L96 WeakPolarHBondContact O-CB 3.3Å; V93-L96 PolarHBondContact O-N 2.73Å; A94-L96 VanDerWaalsContact C-N 3.32Å; A94-L96 PolarHBondContact O-N 3.39Å; L96-L98 PolarHBondContact O-N 2.95Å; L96-A99 PolarHBondContact O-N 3.44Å; L96-H100 PolarHBondContact O-CD2 3.34Å; L96-H100 VanDerWaalsContact O-CD2 3.28Å; L96-H100 PolarHBondContact O-N 3.18Å; L96-H100 VanDerWaalsContact O-N 3.14Å
97L97.1Very high90Very high0 Ų052.9 Ų52.90%036%0.36CS..Hα-helixtrans-60.8-46178.8-69168.5000111.3L42 V60 L64 P70 A80 L81 A84 V93 A94 A99 H100 G101 A102L42-L97 HydrophobicContact CD1-CD2 4.04Å; L42-L97 HydrophobicContact CD2-CD2 3.92Å; L42-L97 HydrophobicContact CG-CD2 4.13Å; V60-L97 HydrophobicContact CG1-CD2 4.27Å; V60-L97 HydrophobicContact CG1-CG 4.46Å; L64-L97 HydrophobicContact CD1-CD2 4.3Å; L64-L97 HydrophobicContact CD2-CD2 4.31Å; P70-L97 HydrophobicContact CB-CD2 4.08Å; A80-L97 HydrophobicContact CB-CD1 4.36Å; A80-L97 HydrophobicContact CB-CD2 3.99Å; L81-L97 HydrophobicContact CB-CD1 4.29Å; L81-L97 HydrophobicContact CD1-CB 4.19Å; L81-L97 HydrophobicContact CD1-CD1 4.06Å; A84-L97 HydrophobicContact CB-CD1 3.8Å; V93-L97 HydrophobicContact CG1-CD1 4.06Å; V93-L97 HydrophobicContact CG1-CG 4.5Å; V93-L97 WeakPolarHBondContact O-CG 3.33Å; V93-L97 PolarHBondContact O-N 3.02Å; A94-L97 PolarHBondContact O-N 2.99Å; L97-A99 PolarHBondContact O-N 2.9Å; L97-H100 CarbonylContact O-C 3.38Å; L97-H100 PolarHBondContact O-N 2.81Å; L97-H100 VanDerWaalsContact O-N 3.12Å; L97-G101 PolarHBondContact O-N 3.06Å; L97-A102 VanDerWaalsContact C-CB 3.46Å; L97-A102 HydrophobicContact CB-CB 3.85Å; L97-A102 WeakPolarHBondContact O-CB 3.29Å; L97-A102 PolarHBondContact O-N 3.1Å
98L96.9Very high91Very high82 Ų8253.5 Ų53.543%0.42936%0.36SS..Hα-helixtrans-62.1-42177.2-69.4168.7000112L81 A94 L96 H100 G101 P104L81-L98 HydrophobicContact CD2-CD2 3.92Å; L81-L98 HydrophobicContact CD2-CG 4.48Å; A94-L98 VanDerWaalsContact O-CG 3.32Å; A94-L98 WeakPolarHBondContact O-CG 3Å; A94-L98 PolarHBondContact O-N 2.83Å; L96-L98 PolarHBondContact O-N 2.95Å; L98-H100 PolarHBondContact O-N 3.14Å; L98-G101 PolarHBondContact O-N 3.35Å; L98-P104 HydrophobicContact CD2-CB 4.24Å; L98-P104 HydrophobicContact CD2-CG 4.15Å
99A97.8Very high92.4Very high85 Ų8557.2 Ų57.270%0.70236%0.36SS*.Hα-helixtrans-63.5-23.3176.600000113S95 L96 L97S95-A99 WeakPolarHBondContact O-CB 3.3Å; S95-A99 PolarHBondContact O-N 2.89Å; L96-A99 PolarHBondContact O-N 3.44Å; L97-A99 PolarHBondContact O-N 2.9Å
100H98.3Very high93.6Very high83 Ų8361 Ų6138%0.38439%0.39SS..THydrogen-bonded Turntrans-101.721.1175.3-75.7-100.7000113.1L64 L96 L97 L98L64-H100 HydrophobicContact CB-CB 4.39Å; L64-H100 HydrophobicContact CD1-CB 4.02Å; L64-H100 HydrophobicContact CD2-CB 3.84Å; L64-H100 HydrophobicContact CG-CB 4.3Å; L96-H100 PolarHBondContact O-CD2 3.34Å; L96-H100 VanDerWaalsContact O-CD2 3.28Å; L96-H100 PolarHBondContact O-N 3.18Å; L96-H100 VanDerWaalsContact O-N 3.14Å; L97-H100 CarbonylContact O-C 3.38Å; L97-H100 PolarHBondContact O-N 2.81Å; L97-H100 VanDerWaalsContact O-N 3.12Å; L98-H100 PolarHBondContact O-N 3.14Å
101G97.8Very high94.4Very high48 Ų4860.9 Ų60.950%0.49539%0.389SS..THydrogen-bonded Turntrans85.319.4168.700000115.4N71 L97 L98 D103N71-G101 PolarHBondContact ND2-O 3.22Å; L97-G101 PolarHBondContact O-N 3.06Å; L98-G101 PolarHBondContact O-N 3.35Å; G101-D103 PolarHBondContact O-N 3.36Å
102A97.7Very high94.6Very high7 Ų758.1 Ų58.16%0.05837%0.365CS..  trans-60.7130.6168.200000110.5P70 N71 L81 L97 P104P70-A102 HydrophobicContact CB-CB 3.8Å; P70-A102 HydrophobicContact CG-CB 4.06Å; N71-A102 WeakPolarHBondContact OD1-CA 3.33Å; L81-A102 HydrophobicContact CB-CB 4.36Å; L81-A102 HydrophobicContact CD2-CB 4.34Å; L97-A102 VanDerWaalsContact C-CB 3.46Å; L97-A102 HydrophobicContact CB-CB 3.85Å; L97-A102 WeakPolarHBondContact O-CB 3.29Å; L97-A102 PolarHBondContact O-N 3.1Å; A102-P104 WeakPolarHBondContact O-CD 3.49Å
103D96.8Very high94.5Very high65 Ų6556 Ų5635%0.34835%0.347SS..  trans-89.1111.2177-178.6-3000110.4N71 G101 S105 V106N71-D103 PolarHBondContact OD1-N 3.05Å; G101-D103 PolarHBondContact O-N 3.36Å; D103-S105 VanDerWaalsContact CG-OG 3.26Å; D103-S105 PolarHBondContact O-N 3.06Å; D103-S105 WeakPolarHBondContact OD1-CA 3.39Å; D103-S105 VanDerWaalsContact OD1-CB 3.23Å; D103-S105 WeakPolarHBondContact OD1-CB 3.32Å; D103-S105 PolarHBondContact OD1-N 3.14Å; D103-S105 PolarHBondContact OD1-OG 3.01Å; D103-S105 PolarHBondContact OD2-OG 3.43Å; D103-V106 HydrophobicContact CB-CG2 3.83Å
104P94.2Very high94Very high43 Ų4356.1 Ų56.128%0.27935%0.348SS..THydrogen-bonded Turntrans-73.5-10.917932.1-35.9000113.7L81 L98 A102 L115L81-P104 HydrophobicContact CD2-CB 3.91Å; L98-P104 HydrophobicContact CD2-CB 4.24Å; L98-P104 HydrophobicContact CD2-CG 4.15Å; A102-P104 WeakPolarHBondContact O-CD 3.49Å; P104-L115 HydrophobicContact CB-CD1 4.38Å; P104-L115 HydrophobicContact CB-CD2 4.23Å; P104-L115 HydrophobicContact CB-CG 4.18Å
105S93.6Very high93.2Very high74 Ų7460.3 Ų60.352%0.51737%0.367SS..THydrogen-bonded Turntrans-86.4-14.4-177.679.60000113.8D103 R107D103-S105 VanDerWaalsContact CG-OG 3.26Å; D103-S105 PolarHBondContact O-N 3.06Å; D103-S105 WeakPolarHBondContact OD1-CA 3.39Å; D103-S105 VanDerWaalsContact OD1-CB 3.23Å; D103-S105 WeakPolarHBondContact OD1-CB 3.32Å; D103-S105 PolarHBondContact OD1-N 3.14Å; D103-S105 PolarHBondContact OD1-OG 3.01Å; D103-S105 PolarHBondContact OD2-OG 3.43Å; S105-R107 PolarHBondContact O-N 2.97Å
106V93.6Very high91.7Very high40 Ų4061.5 Ų61.524%0.24237%0.371CS..  trans-55.1138.9175.6179.50000109.5T79 M82 D103 S113T79-V106 HydrophobicContact CG2-CB 4.13Å; T79-V106 HydrophobicContact CG2-CG1 3.7Å; T79-V106 HydrophobicContact CG2-CG2 4.46Å; M82-V106 HydrophobicContact CE-CB 4.18Å; M82-V106 HydrophobicContact CE-CG1 3.99Å; M82-V106 WeakPolarHBondContact CE-O 3.5Å; D103-V106 HydrophobicContact CB-CG2 3.83Å; V106-S113 WeakPolarHBondContact O-CA 3.29Å; V106-S113 VanDerWaalsContact O-CB 3.29Å; V106-S113 WeakPolarHBondContact O-CB 2.98Å
107R93.4Very high89.4Confident187 Ų18766.1 Ų66.171%0.70639%0.392SS*.BIsolated β-bridgetrans-114.3136.8177.4-64.6-178.4-179.6-178.9-2.5110.1S105 A112S105-R107 PolarHBondContact O-N 2.97Å; R107-A112 CarbonylContact C-O 3.53Å; R107-A112 VanDerWaalsContact CA-O 3.29Å; R107-A112 WeakPolarHBondContact CA-O 3.48Å
108D94.9Very high86.9Confident30 Ų3073 Ų7316%0.1645%0.448CS..  trans-72177.9170.6782000111.1L76 G77 R78 M82 A110 G111 A112L76-D108 WeakPolarHBondContact O-CB 3.48Å; G77-D108 WeakPolarHBondContact O-CA 3.4Å; R78-D108 HydrophobicContact CG-CB 3.81Å; M82-D108 HydrophobicContact CE-CB 4.35Å; M82-D108 HydrophobicContact SD-CB 3.98Å; D108-A110 PolarHBondContact O-N 2.97Å; D108-A110 WeakPolarHBondContact OD1-CA 3.45Å; D108-A110 WeakPolarHBondContact OD1-CB 3.48Å; D108-A110 PolarHBondContact OD1-N 2.85Å; D108-G111 WeakPolarHBondContact O-CA 3.41Å; D108-G111 PolarHBondContact O-N 3.23Å; D108-G111 PolarHBondContact OD1-N 3.37Å; D108-A112 PolarHBondContact N-O 3.38Å; D108-A112 WeakPolarHBondContact OD1-CB 3.42Å; D108-A112 PolarHBondContact OD1-N 2.82Å
109H95.7Very high86.4Confident142 Ų14272.5 Ų72.566%0.65745%0.449SS*.THydrogen-bonded Turntrans-67.6-14.7-178.7-62.9169.1000113.8R75 L76 G111R75-H109 PolarHBondContact O-CE1 2.83Å; R75-H109 PolarHBondContact O-ND1 2.72Å; L76-H109 PolarHBondContact O-N 3.45Å; H109-G111 VanDerWaalsContact C-N 3.32Å
110A92.1Very high85.8Confident90 Ų9071.8 Ų71.874%0.74444%0.436SS*.THydrogen-bonded Turntrans-89-1171.300000112.4D108 A112D108-A110 PolarHBondContact O-N 2.97Å; D108-A110 WeakPolarHBondContact OD1-CA 3.45Å; D108-A110 WeakPolarHBondContact OD1-CB 3.48Å; D108-A110 PolarHBondContact OD1-N 2.85Å; A110-A112 VanDerWaalsContact C-N 3.32Å
111G90.9Very high85.1Confident43 Ų4371.2 Ų71.244%0.44344%0.439SS..SBendtrans82.35.8-177.300000114.1D108 H109D108-G111 WeakPolarHBondContact O-CA 3.41Å; D108-G111 PolarHBondContact O-N 3.23Å; D108-G111 PolarHBondContact OD1-N 3.37Å; H109-G111 VanDerWaalsContact C-N 3.32Å
112A89.3Confident84.3Confident24 Ų2472.6 Ų72.620%0.19844%0.435CS..  trans-81.6138.1178.300000110.8R107 D108 A110 V116R107-A112 CarbonylContact C-O 3.53Å; R107-A112 VanDerWaalsContact CA-O 3.29Å; R107-A112 WeakPolarHBondContact CA-O 3.48Å; D108-A112 PolarHBondContact N-O 3.38Å; D108-A112 WeakPolarHBondContact OD1-CB 3.42Å; D108-A112 PolarHBondContact OD1-N 2.82Å; A110-A112 VanDerWaalsContact C-N 3.32Å; A112-V116 HydrophobicContact CB-CG2 3.76Å
113S88.8Confident83.5Confident18 Ų1876.7 Ų76.713%0.12646%0.459CS..BIsolated β-bridgetrans-104.9172.4171.964.30000111.5V106 L115 V116V106-S113 WeakPolarHBondContact O-CA 3.29Å; V106-S113 VanDerWaalsContact O-CB 3.29Å; V106-S113 WeakPolarHBondContact O-CB 2.98Å; S113-L115 PolarHBondContact O-N 3.38Å; S113-L115 VanDerWaalsContact O-N 3.15Å; S113-L115 PolarHBondContact OG-N 3.34Å; S113-V116 WeakPolarHBondContact O-CG2 2.99Å; S113-V116 PolarHBondContact O-N 3.43Å
114A81.8Confident82.6Confident5 Ų577.5 Ų77.54%0.04147%0.466CS..G310 helixtrans-60.8-22.9171.700000112.9L81 M82L81-A114 HydrophobicContact CB-CB 4.32Å; L81-A114 HydrophobicContact CD2-CB 3.74Å; L81-A114 HydrophobicContact CG-CB 3.66Å; M82-A114 HydrophobicContact CG-CB 4.12Å
115L75.9Confident81.8Confident109 Ų10979.9 Ų79.957%0.57148%0.48SS*.G310 helixtrans-80.1-16.5-177-62.5173.4000114.4P104 S113 H117P104-L115 HydrophobicContact CB-CD1 4.38Å; P104-L115 HydrophobicContact CB-CD2 4.23Å; P104-L115 HydrophobicContact CB-CG 4.18Å; S113-L115 PolarHBondContact O-N 3.38Å; S113-L115 VanDerWaalsContact O-N 3.15Å; S113-L115 PolarHBondContact OG-N 3.34Å; L115-H117 PolarHBondContact O-N 3.15Å
116V64.1Low80.9Confident96 Ų9680.4 Ų80.458%0.58248%0.477SS*.G310 helixtrans-77.3-5.8174.2-76.20000113.1A112 S113A112-V116 HydrophobicContact CB-CG2 3.76Å; S113-V116 WeakPolarHBondContact O-CG2 2.99Å; S113-V116 PolarHBondContact O-N 3.43Å
117H47.6Very low79.8Confident118 Ų11883.8 Ų83.855%0.54650%0.496SS..G310 helixtrans-112.210.3177.5-66.1-59.2000113.9C85 L115C85-H117 HydrophobicContact CB-CB 4.02Å; L115-H117 PolarHBondContact O-N 3.15Å
118A43.4Very low78.6Confident143 Ų14374.4 Ų74.4100%1.18248%0.477SS*.  trans-90.80178.700000112.7

Retrieved 118 of 118 residues in 82.6 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).