A0A096LPA2_HUMAN Loading...

Adenylosuccinate lyase

AlphaFold DB , UniProt , Accession A0A096LPA2, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 133 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
1M89.1Confident96.7Very high183 Ų18395.1 Ų95.190%0.90145%0.445SS*.  0-54.30-68.3172.569.200111.2L3 Q4 N5M1-L3 PolarHBondContact O-N 3.21Å; M1-Q4 WeakPolarHBondContact O-CB 3.37Å; M1-Q4 PolarHBondContact O-N 3.11Å; M1-Q4 VanDerWaalsContact O-N 3.17Å; M1-N5 PolarHBondContact O-N 3.12Å; M1-N5 VanDerWaalsContact O-N 3.08Å
2D97.4Very high96.6Very high30 Ų3094.3 Ų94.316%0.1645%0.446CS..Hα-helixtrans-59.3-47.1-175.8-57.4-54.8000114.7Q4 N5 L6 S77 L78 S81D2-Q4 VanDerWaalsContact C-N 3.25Å; D2-Q4 PolarHBondContact O-N 2.92Å; D2-N5 PolarHBondContact O-N 3.35Å; D2-N5 VanDerWaalsContact O-N 3.13Å; D2-L6 WeakPolarHBondContact O-CG 3.06Å; D2-L6 PolarHBondContact O-N 2.88Å; D2-S77 PolarHBondContact OD1-OG 3.22Å; D2-L78 HydrophobicContact CB-CD1 3.95Å; D2-S81 VanDerWaalsContact OD2-CB 3.3Å; D2-S81 WeakPolarHBondContact OD2-CB 3.22Å; D2-S81 PolarHBondContact OD2-OG 3.16Å
3L97.9Very high96.7Very high113 Ų11392.3 Ų92.359%0.59244%0.44SS*.Hα-helixtrans-58.2-38.4177.8179.862000112.6M1 K7M1-L3 PolarHBondContact O-N 3.21Å; L3-K7 HydrophobicContact CD1-CD 4.41Å; L3-K7 HydrophobicContact CD1-CG 4.36Å; L3-K7 HydrophobicContact CG-CD 4.3Å; L3-K7 WeakPolarHBondContact O-CB 3.31Å; L3-K7 VanDerWaalsContact O-CG 3.29Å; L3-K7 WeakPolarHBondContact O-CG 3.41Å; L3-K7 PolarHBondContact O-N 3.41Å
4Q98.1Very high96.7Very high146 Ų14694.1 Ų94.168%0.68244%0.44SS*.Hα-helixtrans-67.7-43.8178-178-179.3-3.100110.7M1 D2 K7 R8M1-Q4 WeakPolarHBondContact O-CB 3.37Å; M1-Q4 PolarHBondContact O-N 3.11Å; M1-Q4 VanDerWaalsContact O-N 3.17Å; D2-Q4 VanDerWaalsContact C-N 3.25Å; D2-Q4 PolarHBondContact O-N 2.92Å; Q4-K7 PolarHBondContact O-N 3.48Å; Q4-R8 WeakPolarHBondContact O-CB 3.25Å; Q4-R8 PolarHBondContact O-N 3.46Å
5N97.6Very high96.9Very high47 Ų4791.6 Ų91.625%0.25143%0.427SS..Hα-helixtrans-62.7-43.5177.2-71.4-17.4000112M1 D2 R8 V9 V74M1-N5 PolarHBondContact O-N 3.12Å; M1-N5 VanDerWaalsContact O-N 3.08Å; D2-N5 PolarHBondContact O-N 3.35Å; D2-N5 VanDerWaalsContact O-N 3.13Å; N5-R8 PolarHBondContact O-N 2.9Å; N5-V9 PolarHBondContact O-N 3.38Å; N5-V74 HydrophobicContact CB-CB 4.32Å; N5-V74 HydrophobicContact CB-CG1 3.89Å
6L97.8Very high96.9Very high58 Ų5890.3 Ų90.330%0.30442%0.417SS..Hα-helixtrans-62.9-46.2176.1-73.3167.5000111.9D2 R10 V74 L75 L78D2-L6 WeakPolarHBondContact O-CG 3.06Å; D2-L6 PolarHBondContact O-N 2.88Å; L6-R10 VanDerWaalsContact O-CB 3.24Å; L6-R10 WeakPolarHBondContact O-CB 3.3Å; L6-R10 PolarHBondContact O-N 3.4Å; L6-V74 HydrophobicContact CD2-CG2 3.99Å; L6-L75 HydrophobicContact CD2-CD2 4.1Å; L6-L78 HydrophobicContact CD1-CD2 4.47Å
7K98Very high97Very high100 Ų10085.3 Ų85.344%0.43540%0.396SS..Hα-helixtrans-60.3-46.3175.9-77.7178.6176.8-177.20111.3L3 Q4 R10 D11L3-K7 HydrophobicContact CD1-CD 4.41Å; L3-K7 HydrophobicContact CD1-CG 4.36Å; L3-K7 HydrophobicContact CG-CD 4.3Å; L3-K7 WeakPolarHBondContact O-CB 3.31Å; L3-K7 VanDerWaalsContact O-CG 3.29Å; L3-K7 WeakPolarHBondContact O-CG 3.41Å; L3-K7 PolarHBondContact O-N 3.41Å; Q4-K7 PolarHBondContact O-N 3.48Å; K7-R10 PolarHBondContact O-N 3.13Å; K7-D11 VanDerWaalsContact O-CB 3.27Å; K7-D11 WeakPolarHBondContact O-CB 3.19Å; K7-D11 PolarHBondContact O-N 3.24Å
8R97.7Very high97Very high111 Ų11181.7 Ų81.742%0.41938%0.381SS..Hα-helixtrans-56.1-56.4177.7-177.8-17563.773.2-2.5111Q4 N5 R10 D11 D12Q4-R8 WeakPolarHBondContact O-CB 3.25Å; Q4-R8 PolarHBondContact O-N 3.46Å; N5-R8 PolarHBondContact O-N 2.9Å; R8-R10 VanDerWaalsContact C-N 3.35Å; R8-R10 PolarHBondContact O-N 3.34Å; R8-D11 PolarHBondContact O-N 3.03Å; R8-D12 WeakPolarHBondContact CG-OD2 3.4Å; R8-D12 IonicContact NH1-OD2 2.68Å; R8-D12 VanDerWaalsContact O-CB 3.31Å; R8-D12 WeakPolarHBondContact O-CB 3.29Å; R8-D12 PolarHBondContact O-N 3.07Å
9V97.4Very high97Very high9 Ų977.6 Ų77.66%0.05536%0.362CS..Hα-helixtrans-60.5-45.1-178.8171.10000111.3N5 D11 D12 L13 V71 V74N5-V9 PolarHBondContact O-N 3.38Å; V9-D11 VanDerWaalsContact C-N 3.34Å; V9-D11 PolarHBondContact O-N 3.26Å; V9-D12 PolarHBondContact O-N 3.33Å; V9-L13 WeakPolarHBondContact O-CG 3.42Å; V9-L13 PolarHBondContact O-N 3.13Å; V9-L13 VanDerWaalsContact O-N 3.12Å; V9-V71 HydrophobicContact CG1-CB 4.42Å; V9-V71 HydrophobicContact CG1-CG2 3.67Å; V9-V74 HydrophobicContact CB-CG2 4.25Å; V9-V74 HydrophobicContact CG1-CG2 4.45Å; V9-V74 HydrophobicContact CG2-CB 4.44Å; V9-V74 HydrophobicContact CG2-CG1 3.56Å; V9-V74 HydrophobicContact CG2-CG2 4.02Å
10R96.8Very high97Very high147 Ų14774.5 Ų74.556%0.55535%0.351SS*.Hα-helixtrans-57.6-46.3176.7-179.4-160.366.8-172.5-1.8112L6 K7 R8 D12 L13L6-R10 VanDerWaalsContact O-CB 3.24Å; L6-R10 WeakPolarHBondContact O-CB 3.3Å; L6-R10 PolarHBondContact O-N 3.4Å; K7-R10 PolarHBondContact O-N 3.13Å; R8-R10 VanDerWaalsContact C-N 3.35Å; R8-R10 PolarHBondContact O-N 3.34Å; R10-D12 VanDerWaalsContact C-N 3.3Å; R10-L13 WeakPolarHBondContact O-CB 3.2Å; R10-L13 PolarHBondContact O-N 3.4Å
11D96.4Very high97Very high102 Ų10275.9 Ų75.955%0.54537%0.365SS..Hα-helixtrans-74.4-24.1-176.3-64-15000112K7 R8 V9K7-D11 VanDerWaalsContact O-CB 3.27Å; K7-D11 WeakPolarHBondContact O-CB 3.19Å; K7-D11 PolarHBondContact O-N 3.24Å; R8-D11 PolarHBondContact O-N 3.03Å; V9-D11 VanDerWaalsContact C-N 3.34Å; V9-D11 PolarHBondContact O-N 3.26Å
12D95.6Very high97.4Very high85 Ų8571.6 Ų71.646%0.45535%0.349SS..Hα-helixtrans-81.8-15.4175.3-72.4-23.2000113.4R8 V9 R10 R14R8-D12 WeakPolarHBondContact CG-OD2 3.4Å; R8-D12 IonicContact NH1-OD2 2.68Å; R8-D12 VanDerWaalsContact O-CB 3.31Å; R8-D12 WeakPolarHBondContact O-CB 3.29Å; R8-D12 PolarHBondContact O-N 3.07Å; V9-D12 PolarHBondContact O-N 3.33Å; R10-D12 VanDerWaalsContact C-N 3.3Å; D12-R14 WeakPolarHBondContact O-CG 3.49Å; D12-R14 PolarHBondContact O-N 3.48Å
13L96.9Very high97.4Very high69 Ų6970.8 Ų70.836%0.36135%0.348SS..  trans-58.4136.7178.5-72.3178000111.2V9 R10 F52 V67 V71V9-L13 WeakPolarHBondContact O-CG 3.42Å; V9-L13 PolarHBondContact O-N 3.13Å; V9-L13 VanDerWaalsContact O-N 3.12Å; R10-L13 WeakPolarHBondContact O-CB 3.2Å; R10-L13 PolarHBondContact O-N 3.4Å; L13-F52 HydrophobicContact CB-CE1 4.07Å; L13-V67 HydrophobicContact CD2-CG1 3.62Å; L13-V71 HydrophobicContact CD2-CG2 4.13Å
14R97.8Very high97.4Very high118 Ų11869.9 Ų69.945%0.44535%0.347SS..  trans-123.6147.2179.3-51.6-177.1-169.5-175.13110.2D12 R54 F56D12-R14 WeakPolarHBondContact O-CG 3.49Å; D12-R14 PolarHBondContact O-N 3.48Å; R14-R54 WeakPolarHBondContact CA-O 3.27Å; R14-R54 HydrophobicContact CG-CB 4.43Å; R14-F56 HydrophobicContact CB-CD2 3.85Å; R14-F56 HydrophobicContact CB-CE1 4.38Å; R14-F56 HydrophobicContact CB-CE2 3.66Å; R14-F56 HydrophobicContact CB-CG 4.3Å; R14-F56 HydrophobicContact CB-CZ 3.92Å; R14-F56 HydrophobicContact CG-CZ 4.37Å; R14-F56 WeakPolarHBondContact O-CE2 3.47Å
15F98.3Very high97.4Very high56 Ų5664.8 Ų64.825%0.24632%0.323CS..BIsolated β-bridgetrans-71.6146.2172.7-164.5-124.1000110.3G17 V46 T47 A50 F52 R54 A55 F56F15-G17 VanDerWaalsContact C-N 3.28Å; F15-G17 PolarHBondContact O-N 2.92Å; F15-V46 HydrophobicContact CE1-CG1 3.91Å; F15-V46 HydrophobicContact CZ-CG1 4.45Å; F15-T47 HydrophobicContact CB-CG2 3.96Å; F15-T47 HydrophobicContact CD1-CG2 4.48Å; F15-A50 HydrophobicContact CD1-CB 4.4Å; F15-A50 HydrophobicContact CD2-CB 3.96Å; F15-A50 HydrophobicContact CE1-CB 4.18Å; F15-A50 HydrophobicContact CE2-CB 3.71Å; F15-A50 HydrophobicContact CG-CB 4.32Å; F15-A50 HydrophobicContact CZ-CB 3.83Å; F15-F52 HydrophobicContact CB-CB 3.76Å; F15-F52 HydrophobicContact CB-CD1 4.14Å; F15-F52 HydrophobicContact CB-CD2 3.91Å; F15-F52 HydrophobicContact CB-CG 3.67Å; F15-F52 AromaticContact CD2-CD2 3.73Å; F15-F52 HydrophobicContact CD2-CD2 3.73Å; F15-F52 AromaticContact CD2-CE2 3.85Å; F15-F52 HydrophobicContact CD2-CE2 3.85Å; F15-F52 HydrophobicContact CD2-CG 4.37Å; F15-F52 HydrophobicContact CG-CD2 4.11Å; F15-F52 HydrophobicContact CG-CG 4.37Å; F15-R54 PolarHBondContact N-O 3.17Å; F15-A55 CarbonylContact O-C 3.53Å; F15-A55 WeakPolarHBondContact O-CA 3.24Å; F15-F56 WeakPolarHBondContact O-CD2 3.31Å; F15-F56 PolarHBondContact O-N 3.26Å
16R98.4Very high97.4Very high70 Ų7065.2 Ų65.226%0.26433%0.333SS..  trans-61.8-41.2172.2179.4-170168.2-89.86.5111.2K19 G20 Q61R16-K19 VanDerWaalsContact O-CG 3.25Å; R16-K19 WeakPolarHBondContact O-CG 3.47Å; R16-G20 PolarHBondContact NH2-O 2.9Å; R16-Q61 VanDerWaalsContact CZ-O 3.25Å; R16-Q61 PolarHBondContact NE-O 3.49Å; R16-Q61 PolarHBondContact NH2-O 3.21Å
17G97.5Very high97.4Very high6 Ų665.6 Ų65.66%0.06234%0.341CS..  trans79.2-173.6-171.200000113.5F15 K19 D43F15-G17 VanDerWaalsContact C-N 3.28Å; F15-G17 PolarHBondContact O-N 2.92Å; G17-K19 PolarHBondContact O-N 3.1Å; G17-D43 WeakPolarHBondContact CA-OD1 3.47Å
18V97.4Very high97.4Very high20 Ų2063.4 Ų63.412%0.12133%0.331CS..SBendtrans-9275.3-179.9-60.60000110.2Q25 F28 L42 D43 V46V18-Q25 WeakPolarHBondContact O-CG 3.44Å; V18-Q25 PolarHBondContact O-NE2 3.01Å; V18-F28 HydrophobicContact CB-CD2 4.29Å; V18-F28 HydrophobicContact CB-CE1 4.33Å; V18-F28 HydrophobicContact CB-CE2 3.79Å; V18-F28 HydrophobicContact CB-CZ 3.81Å; V18-F28 HydrophobicContact CG1-CZ 4.42Å; V18-F28 HydrophobicContact CG2-CE2 4.49Å; V18-L42 HydrophobicContact CG2-CD2 4.02Å; V18-L42 HydrophobicContact CG2-CG 4.08Å; V18-D43 HydrophobicContact CG2-CB 3.84Å; V18-D43 PolarHBondContact N-OD1 2.94Å; V18-V46 HydrophobicContact CG1-CB 4.25Å; V18-V46 HydrophobicContact CG1-CG1 4.23Å; V18-V46 HydrophobicContact CG1-CG2 4.11Å
19K97.8Very high97.4Very high5 Ų560.6 Ų60.62%0.02233%0.325CS..  trans-95.8-3.8-170-62-73.9174.4-97.50115.9R16 G17 G23 T24 Q25 D43 F56 T59R16-K19 VanDerWaalsContact O-CG 3.25Å; R16-K19 WeakPolarHBondContact O-CG 3.47Å; G17-K19 PolarHBondContact O-N 3.1Å; K19-G23 CarbonylContact O-C 3.53Å; K19-G23 WeakPolarHBondContact O-CA 3.5Å; K19-G23 PolarHBondContact O-N 2.97Å; K19-T24 PolarHBondContact O-N 3.33Å; K19-Q25 HydrophobicContact CD-CG 4.11Å; K19-Q25 PolarHBondContact O-N 3.22Å; K19-D43 IonicContact NZ-OD1 3.58Å; K19-D43 PolarHBondContact NZ-OD1 3.27Å; K19-D43 IonicContact NZ-OD2 3.78Å; K19-D43 PolarHBondContact NZ-OD2 2.89Å; K19-F56 WeakPolarHBondContact CE-O 3.45Å; K19-T59 WeakPolarHBondContact CB-OG1 3.05Å; K19-T59 WeakPolarHBondContact CG-OG1 3.42Å
20G96Very high97.4Very high14 Ų1467.8 Ų67.814%0.14436%0.358CS..THydrogen-bonded Turntrans69.1-170.4-175.800000113.1R16R16-G20 PolarHBondContact NH2-O 2.9Å
21T97.1Very high97.5Very high104 Ų10466.8 Ų66.864%0.63836%0.363SS*.THydrogen-bonded Turntrans-67.9-36.5-172.8-52.40000113.5Q61T21-Q61 WeakPolarHBondContact O-CA 3.19Å; T21-Q61 WeakPolarHBondContact O-CB 3.43Å; T21-Q61 WeakPolarHBondContact O-CG 2.9Å
22T97.6Very high97.6Very high94 Ų9464.6 Ų64.658%0.57735%0.348SS*.THydrogen-bonded Turntrans-117.48.1-174.350.40000113.5
23G97.4Very high97.7Very high13 Ų1369.8 Ų69.813%0.13437%0.37CS..SBendtrans93.9-8.9178.600000115.3K19 T59 G60K19-G23 CarbonylContact O-C 3.53Å; K19-G23 WeakPolarHBondContact O-CA 3.5Å; K19-G23 PolarHBondContact O-N 2.97Å; G23-T59 WeakPolarHBondContact CA-O 3.38Å; G23-G60 WeakPolarHBondContact CA-O 3.37Å; G23-G60 PolarHBondContact N-O 3.41Å
24T97.4Very high97.7Very high93 Ų9368.6 Ų68.657%0.57137%0.374SS*.SBendtrans-88.6-4.8-171.662.60000114.8K19 A26K19-T24 PolarHBondContact O-N 3.33Å; T24-A26 PolarHBondContact O-N 2.94Å
25Q98.1Very high97.7Very high39 Ų3965.4 Ų65.418%0.18237%0.366CS..  trans61.411.8-177.8-53.8-176.4-80.900115.4V18 K19 S27 F28 L29 V39V18-Q25 WeakPolarHBondContact O-CG 3.44Å; V18-Q25 PolarHBondContact O-NE2 3.01Å; K19-Q25 HydrophobicContact CD-CG 4.11Å; K19-Q25 PolarHBondContact O-N 3.22Å; Q25-S27 VanDerWaalsContact C-N 3.32Å; Q25-S27 PolarHBondContact O-N 3.45Å; Q25-S27 VanDerWaalsContact O-N 3.13Å; Q25-F28 WeakPolarHBondContact O-CA 3.25Å; Q25-F28 WeakPolarHBondContact O-CB 3.35Å; Q25-F28 PolarHBondContact O-N 3.48Å; Q25-L29 PolarHBondContact O-N 3.38Å; Q25-V39 HydrophobicContact CB-CG1 3.88Å; Q25-V39 HydrophobicContact CG-CG1 4.33Å
26A97.7Very high97.7Very high56 Ų5667.5 Ų67.546%0.46338%0.379SS..Hα-helixtrans-52.7-41.9-171.400000114.6T24 F28 L29 Q30T24-A26 PolarHBondContact O-N 2.94Å; A26-F28 VanDerWaalsContact C-N 3.34Å; A26-F28 PolarHBondContact O-N 3.32Å; A26-L29 PolarHBondContact O-N 3.26Å; A26-Q30 WeakPolarHBondContact O-CB 3.42Å; A26-Q30 PolarHBondContact O-N 2.99Å
27S97.7Very high97.7Very high66 Ų6671 Ų7146%0.46240%0.398SS..Hα-helixtrans-66.3-34.6178.160.10000113Q25 L31Q25-S27 VanDerWaalsContact C-N 3.32Å; Q25-S27 PolarHBondContact O-N 3.45Å; Q25-S27 VanDerWaalsContact O-N 3.13Å; S27-L31 WeakPolarHBondContact O-CB 3.46Å; S27-L31 PolarHBondContact O-N 2.97Å; S27-L31 VanDerWaalsContact O-N 3.1Å
28F97.8Very high97.7Very high54 Ų5475.5 Ų75.524%0.23742%0.416CS..Hα-helixtrans-74.1-39.7176.5-64.3-72.1000110.7V18 Q25 A26 Q30 L31 F32 V39 L42V18-F28 HydrophobicContact CB-CD2 4.29Å; V18-F28 HydrophobicContact CB-CE1 4.33Å; V18-F28 HydrophobicContact CB-CE2 3.79Å; V18-F28 HydrophobicContact CB-CZ 3.81Å; V18-F28 HydrophobicContact CG1-CZ 4.42Å; V18-F28 HydrophobicContact CG2-CE2 4.49Å; Q25-F28 WeakPolarHBondContact O-CA 3.25Å; Q25-F28 WeakPolarHBondContact O-CB 3.35Å; Q25-F28 PolarHBondContact O-N 3.48Å; A26-F28 VanDerWaalsContact C-N 3.34Å; A26-F28 PolarHBondContact O-N 3.32Å; F28-Q30 VanDerWaalsContact C-N 3.32Å; F28-Q30 PolarHBondContact O-N 3.1Å; F28-L31 WeakPolarHBondContact O-CB 3.47Å; F28-L31 PolarHBondContact O-N 3.42Å; F28-F32 WeakPolarHBondContact O-CD2 3.35Å; F28-F32 PolarHBondContact O-N 2.93Å; F28-F32 VanDerWaalsContact O-N 3.07Å; F28-V39 HydrophobicContact CB-CG1 4.29Å; F28-V39 HydrophobicContact CB-CG2 4.28Å; F28-L42 HydrophobicContact CD1-CD2 3.77Å; F28-L42 HydrophobicContact CE1-CD2 4.18Å; F28-L42 HydrophobicContact CG-CD2 4.46Å
29L98.2Very high97.8Very high53 Ų5374.7 Ų74.728%0.27741%0.412SS..Hα-helixtrans-61.2-43174.7-173.364.1000111.3Q25 A26 L31 F32 E33 G34 D36 V39Q25-L29 PolarHBondContact O-N 3.38Å; A26-L29 PolarHBondContact O-N 3.26Å; L29-L31 PolarHBondContact O-N 2.89Å; L29-F32 CarbonylContact O-C 3.42Å; L29-F32 PolarHBondContact O-N 3.28Å; L29-E33 PolarHBondContact O-N 3.03Å; L29-G34 PolarHBondContact O-N 3.32Å; L29-D36 WeakPolarHBondContact CD1-OD1 3.42Å; L29-V39 HydrophobicContact CB-CG2 4.2Å; L29-V39 HydrophobicContact CD1-CG2 4.06Å
30Q98Very high97.8Very high160 Ų16080.4 Ų80.475%0.74844%0.438SS*.Hα-helixtrans-61.8-42.3174.2-174.8-179.9-0.700112.1A26 F28 F32 E33A26-Q30 WeakPolarHBondContact O-CB 3.42Å; A26-Q30 PolarHBondContact O-N 2.99Å; F28-Q30 VanDerWaalsContact C-N 3.32Å; F28-Q30 PolarHBondContact O-N 3.1Å; Q30-F32 PolarHBondContact O-N 3.41Å; Q30-E33 PolarHBondContact O-N 2.95Å; Q30-E33 VanDerWaalsContact O-N 3.11Å
31L98Very high97.9Very high126 Ų12685.4 Ų85.466%0.6646%0.458SS*.Hα-helixtrans-62.6-31178.2-17666000112.5S27 F28 L29S27-L31 WeakPolarHBondContact O-CB 3.46Å; S27-L31 PolarHBondContact O-N 2.97Å; S27-L31 VanDerWaalsContact O-N 3.1Å; F28-L31 WeakPolarHBondContact O-CB 3.47Å; F28-L31 PolarHBondContact O-N 3.42Å; L29-L31 PolarHBondContact O-N 2.89Å
32F98.4Very high97.9Very high56 Ų5682.8 Ų82.825%0.24644%0.44CS..THydrogen-bonded Turntrans-97.921.3176.3-65.1-59.4000113.4F28 L29 Q30 G34 D35 K38 V39 L42F28-F32 WeakPolarHBondContact O-CD2 3.35Å; F28-F32 PolarHBondContact O-N 2.93Å; F28-F32 VanDerWaalsContact O-N 3.07Å; L29-F32 CarbonylContact O-C 3.42Å; L29-F32 PolarHBondContact O-N 3.28Å; Q30-F32 PolarHBondContact O-N 3.41Å; F32-G34 PolarHBondContact O-N 2.67Å; F32-G34 VanDerWaalsContact O-N 3.16Å; F32-D35 HydrophobicContact CB-CB 4.23Å; F32-D35 WeakPolarHBondContact O-CB 3.39Å; F32-D35 PolarHBondContact O-N 2.97Å; F32-K38 HydrophobicContact CB-CB 4.06Å; F32-K38 HydrophobicContact CB-CD 4.24Å; F32-K38 HydrophobicContact CD1-CB 3.89Å; F32-K38 HydrophobicContact CD1-CD 3.7Å; F32-K38 HydrophobicContact CD1-CG 4.41Å; F32-K38 HydrophobicContact CD2-CB 3.95Å; F32-K38 HydrophobicContact CE1-CB 4.27Å; F32-K38 HydrophobicContact CE1-CD 4.33Å; F32-K38 HydrophobicContact CE2-CB 4.33Å; F32-K38 HydrophobicContact CG-CB 3.71Å; F32-K38 HydrophobicContact CG-CD 4.14Å; F32-K38 HydrophobicContact CZ-CB 4.48Å; F32-V39 HydrophobicContact CD2-CG2 3.81Å; F32-L42 HydrophobicContact CE2-CB 4.29Å; F32-L42 HydrophobicContact CE2-CD2 3.82Å; F32-L42 HydrophobicContact CZ-CD2 4.22Å
33E98.1Very high98Very high193 Ų19379.2 Ų79.290%0.90242%0.417SS*.THydrogen-bonded Turntrans56.532.1173.8-57.7176.4-173.300113.9L29 Q30L29-E33 PolarHBondContact O-N 3.03Å; Q30-E33 PolarHBondContact O-N 2.95Å; Q30-E33 VanDerWaalsContact O-N 3.11Å
34G97.8Very high98Very high44 Ų4484.8 Ų84.845%0.45444%0.438SS..THydrogen-bonded Turntrans87.88.2-179.100000115.1L29 F32 D36L29-G34 PolarHBondContact O-N 3.32Å; F32-G34 PolarHBondContact O-N 2.67Å; F32-G34 VanDerWaalsContact O-N 3.16Å; G34-D36 PolarHBondContact O-N 2.97Å
35D98.2Very high98.1Very high51 Ų5184.7 Ų84.727%0.27343%0.432SS..  trans-81.895.3178-173-21.7000111.7F32 H37 K38 V39F32-D35 HydrophobicContact CB-CB 4.23Å; F32-D35 WeakPolarHBondContact O-CB 3.39Å; F32-D35 PolarHBondContact O-N 2.97Å; D35-H37 VanDerWaalsContact C-N 3.26Å; D35-H37 PolarHBondContact O-N 3.37Å; D35-H37 WeakPolarHBondContact OD1-CB 3.47Å; D35-H37 PolarHBondContact OD1-N 2.9Å; D35-H37 VanDerWaalsContact OD1-N 3.12Å; D35-K38 HydrophobicContact CB-CB 4.35Å; D35-K38 HydrophobicContact CB-CD 4.13Å; D35-K38 HydrophobicContact CB-CG 4.36Å; D35-K38 PolarHBondContact O-N 3.46Å; D35-K38 PolarHBondContact OD1-N 2.93Å; D35-K38 VanDerWaalsContact OD1-N 3.13Å; D35-K38 WeakPolarHBondContact OD2-CD 3.06Å; D35-K38 WeakPolarHBondContact OD2-CE 2.88Å; D35-K38 WeakPolarHBondContact OD2-CG 3.15Å; D35-K38 IonicContact OD2-NZ 3.22Å; D35-K38 PolarHBondContact OD2-NZ 2.72Å; D35-V39 PolarHBondContact O-N 3Å
36D97.8Very high98.1Very high100 Ų10085 Ų8554%0.53544%0.437SS..Hα-helixtrans-59-35.6177.7-68.8-68.7000112.7L29 G34 K38 V39 E40L29-D36 WeakPolarHBondContact CD1-OD1 3.42Å; G34-D36 PolarHBondContact O-N 2.97Å; D36-K38 VanDerWaalsContact C-N 3.33Å; D36-K38 PolarHBondContact O-N 2.68Å; D36-V39 WeakPolarHBondContact O-CB 3.25Å; D36-V39 PolarHBondContact O-N 3.3Å; D36-V39 VanDerWaalsContact O-N 3.13Å; D36-E40 PolarHBondContact O-N 3.02Å
37H98.1Very high98.1Very high143 Ų14382.6 Ų82.666%0.66242%0.416SS*.Hα-helixtrans-64.2-39.2-178.5-71-59.8000111.9D35 V39 E40 Q41D35-H37 VanDerWaalsContact C-N 3.26Å; D35-H37 PolarHBondContact O-N 3.37Å; D35-H37 WeakPolarHBondContact OD1-CB 3.47Å; D35-H37 PolarHBondContact OD1-N 2.9Å; D35-H37 VanDerWaalsContact OD1-N 3.12Å; H37-V39 VanDerWaalsContact C-N 3.34Å; H37-E40 PolarHBondContact O-N 3.13Å; H37-Q41 VanDerWaalsContact O-CB 3.31Å; H37-Q41 WeakPolarHBondContact O-CB 3.44Å; H37-Q41 PolarHBondContact O-N 2.75Å
38K98.3Very high98.1Very high101 Ų10185 Ų8544%0.43942%0.42SS..Hα-helixtrans-66.1-36.5174.3-75.1177.6-171.8152.70112.4F32 D35 D36 Q41 L42F32-K38 HydrophobicContact CB-CB 4.06Å; F32-K38 HydrophobicContact CB-CD 4.24Å; F32-K38 HydrophobicContact CD1-CB 3.89Å; F32-K38 HydrophobicContact CD1-CD 3.7Å; F32-K38 HydrophobicContact CD1-CG 4.41Å; F32-K38 HydrophobicContact CD2-CB 3.95Å; F32-K38 HydrophobicContact CE1-CB 4.27Å; F32-K38 HydrophobicContact CE1-CD 4.33Å; F32-K38 HydrophobicContact CE2-CB 4.33Å; F32-K38 HydrophobicContact CG-CB 3.71Å; F32-K38 HydrophobicContact CG-CD 4.14Å; F32-K38 HydrophobicContact CZ-CB 4.48Å; D35-K38 HydrophobicContact CB-CB 4.35Å; D35-K38 HydrophobicContact CB-CD 4.13Å; D35-K38 HydrophobicContact CB-CG 4.36Å; D35-K38 PolarHBondContact O-N 3.46Å; D35-K38 PolarHBondContact OD1-N 2.93Å; D35-K38 VanDerWaalsContact OD1-N 3.13Å; D35-K38 WeakPolarHBondContact OD2-CD 3.06Å; D35-K38 WeakPolarHBondContact OD2-CE 2.88Å; D35-K38 WeakPolarHBondContact OD2-CG 3.15Å; D35-K38 IonicContact OD2-NZ 3.22Å; D35-K38 PolarHBondContact OD2-NZ 2.72Å; D36-K38 VanDerWaalsContact C-N 3.33Å; D36-K38 PolarHBondContact O-N 2.68Å; K38-Q41 PolarHBondContact O-N 2.83Å; K38-L42 VanDerWaalsContact O-CB 3.3Å; K38-L42 WeakPolarHBondContact O-CB 3.38Å; K38-L42 PolarHBondContact O-N 2.84Å
39V98.3Very high98.1Very high4 Ų490.7 Ų90.72%0.02445%0.445CS..Hα-helixtrans-65.1-45.5176.5178.60000110.8Q25 F28 L29 F32 D35 D36 H37 L42 D43Q25-V39 HydrophobicContact CB-CG1 3.88Å; Q25-V39 HydrophobicContact CG-CG1 4.33Å; F28-V39 HydrophobicContact CB-CG1 4.29Å; F28-V39 HydrophobicContact CB-CG2 4.28Å; L29-V39 HydrophobicContact CB-CG2 4.2Å; L29-V39 HydrophobicContact CD1-CG2 4.06Å; F32-V39 HydrophobicContact CD2-CG2 3.81Å; D35-V39 PolarHBondContact O-N 3Å; D36-V39 WeakPolarHBondContact O-CB 3.25Å; D36-V39 PolarHBondContact O-N 3.3Å; D36-V39 VanDerWaalsContact O-N 3.13Å; H37-V39 VanDerWaalsContact C-N 3.34Å; V39-L42 PolarHBondContact O-N 3.47Å; V39-D43 PolarHBondContact O-N 3.44Å
40E97.8Very high98.1Very high124 Ų12490.3 Ų90.358%0.57945%0.449SS*.Hα-helixtrans-62.6-44.7176-71.8-174.5164.900111.9D36 H37 L42 D43 K44D36-E40 PolarHBondContact O-N 3.02Å; H37-E40 PolarHBondContact O-N 3.13Å; E40-L42 PolarHBondContact O-N 3.05Å; E40-D43 PolarHBondContact O-N 3.26Å; E40-K44 WeakPolarHBondContact O-CB 3.42Å; E40-K44 PolarHBondContact O-N 2.8Å
41Q98.1Very high98.1Very high120 Ų12085.9 Ų85.956%0.56145%0.447SS*.Hα-helixtrans-63.1-42.3178-172.51785.800111.4H37 K38 K44 M45H37-Q41 VanDerWaalsContact O-CB 3.31Å; H37-Q41 WeakPolarHBondContact O-CB 3.44Å; H37-Q41 PolarHBondContact O-N 2.75Å; K38-Q41 PolarHBondContact O-N 2.83Å; Q41-K44 PolarHBondContact O-N 3.25Å; Q41-M45 HydrophobicContact CG-CG 4.39Å; Q41-M45 HydrophobicContact CG-SD 3.96Å; Q41-M45 WeakPolarHBondContact O-CB 3.32Å; Q41-M45 VanDerWaalsContact O-CG 3.25Å; Q41-M45 WeakPolarHBondContact O-CG 3.11Å; Q41-M45 PolarHBondContact O-N 3.39Å
42L98.2Very high98.1Very high48 Ų4883.2 Ų83.225%0.25143%0.43SS..Hα-helixtrans-58.9-48.9175.1177.367.4000111V18 F28 F32 K38 V39 E40 K44 M45 V46V18-L42 HydrophobicContact CG2-CD2 4.02Å; V18-L42 HydrophobicContact CG2-CG 4.08Å; F28-L42 HydrophobicContact CD1-CD2 3.77Å; F28-L42 HydrophobicContact CE1-CD2 4.18Å; F28-L42 HydrophobicContact CG-CD2 4.46Å; F32-L42 HydrophobicContact CE2-CB 4.29Å; F32-L42 HydrophobicContact CE2-CD2 3.82Å; F32-L42 HydrophobicContact CZ-CD2 4.22Å; K38-L42 VanDerWaalsContact O-CB 3.3Å; K38-L42 WeakPolarHBondContact O-CB 3.38Å; K38-L42 PolarHBondContact O-N 2.84Å; V39-L42 PolarHBondContact O-N 3.47Å; E40-L42 PolarHBondContact O-N 3.05Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.42Å; L42-M45 PolarHBondContact O-N 3.39Å; L42-V46 HydrophobicContact CD1-CG2 4.04Å; L42-V46 HydrophobicContact CG-CG2 4.44Å; L42-V46 WeakPolarHBondContact O-CG2 3.47Å; L42-V46 PolarHBondContact O-N 3.12Å
43D98.3Very high97.9Very high19 Ų1990.1 Ų90.110%0.10246%0.46CS..Hα-helixtrans-59.4-43.6179.9-167.462.1000111.9G17 V18 K19 V39 E40 T47G17-D43 WeakPolarHBondContact CA-OD1 3.47Å; V18-D43 HydrophobicContact CG2-CB 3.84Å; V18-D43 PolarHBondContact N-OD1 2.94Å; K19-D43 IonicContact NZ-OD1 3.58Å; K19-D43 PolarHBondContact NZ-OD1 3.27Å; K19-D43 IonicContact NZ-OD2 3.78Å; K19-D43 PolarHBondContact NZ-OD2 2.89Å; V39-D43 PolarHBondContact O-N 3.44Å; E40-D43 PolarHBondContact O-N 3.26Å; D43-T47 VanDerWaalsContact O-CB 3.25Å; D43-T47 WeakPolarHBondContact O-CB 3.4Å; D43-T47 PolarHBondContact O-N 3.46Å; D43-T47 PolarHBondContact O-OG1 3.4Å
44K98.2Very high97.8Very high130 Ų13089.1 Ų89.157%0.56545%0.447SS*.Hα-helixtrans-61.7-49.6175.7-176.6178.8175.4-176.70111.7E40 Q41 L42 V46 T47 E48E40-K44 WeakPolarHBondContact O-CB 3.42Å; E40-K44 PolarHBondContact O-N 2.8Å; Q41-K44 PolarHBondContact O-N 3.25Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.42Å; K44-V46 PolarHBondContact O-N 3.21Å; K44-T47 WeakPolarHBondContact O-CB 3.34Å; K44-T47 PolarHBondContact O-N 2.86Å; K44-E48 WeakPolarHBondContact CE-OE1 3.44Å; K44-E48 WeakPolarHBondContact O-CG 3.15Å; K44-E48 PolarHBondContact O-N 3.4Å
45M98.4Very high97.8Very high91 Ų9188 Ų8845%0.44843%0.434SS..Hα-helixtrans-62.4-42.2-179.1-73.717665.400112.4Q41 L42 K49Q41-M45 HydrophobicContact CG-CG 4.39Å; Q41-M45 HydrophobicContact CG-SD 3.96Å; Q41-M45 WeakPolarHBondContact O-CB 3.32Å; Q41-M45 VanDerWaalsContact O-CG 3.25Å; Q41-M45 WeakPolarHBondContact O-CG 3.11Å; Q41-M45 PolarHBondContact O-N 3.39Å; L42-M45 PolarHBondContact O-N 3.39Å; M45-K49 WeakPolarHBondContact O-CB 3.18Å; M45-K49 VanDerWaalsContact O-CG 3.29Å; M45-K49 WeakPolarHBondContact O-CG 3.04Å; M45-K49 PolarHBondContact O-N 3.04Å
46V98.3Very high97.8Very high47 Ų4786.9 Ų86.929%0.28543%0.427SS..Hα-helixtrans-67.7-39.1177.1178.80000110.6F15 V18 L42 K44 K49 A50F15-V46 HydrophobicContact CE1-CG1 3.91Å; F15-V46 HydrophobicContact CZ-CG1 4.45Å; V18-V46 HydrophobicContact CG1-CB 4.25Å; V18-V46 HydrophobicContact CG1-CG1 4.23Å; V18-V46 HydrophobicContact CG1-CG2 4.11Å; L42-V46 HydrophobicContact CD1-CG2 4.04Å; L42-V46 HydrophobicContact CG-CG2 4.44Å; L42-V46 WeakPolarHBondContact O-CG2 3.47Å; L42-V46 PolarHBondContact O-N 3.12Å; K44-V46 PolarHBondContact O-N 3.21Å; V46-K49 PolarHBondContact O-N 2.86Å; V46-A50 WeakPolarHBondContact O-CB 3.29Å; V46-A50 PolarHBondContact O-N 3.3Å
47T98.4Very high97.7Very high5 Ų589 Ų893%0.03144%0.437CS..Hα-helixtrans-61.1-46.3176.9-62.30000112F15 D43 K44 A50 G51 F52 A55F15-T47 HydrophobicContact CB-CG2 3.96Å; F15-T47 HydrophobicContact CD1-CG2 4.48Å; D43-T47 VanDerWaalsContact O-CB 3.25Å; D43-T47 WeakPolarHBondContact O-CB 3.4Å; D43-T47 PolarHBondContact O-N 3.46Å; D43-T47 PolarHBondContact O-OG1 3.4Å; K44-T47 WeakPolarHBondContact O-CB 3.34Å; K44-T47 PolarHBondContact O-N 2.86Å; T47-A50 PolarHBondContact O-N 2.72Å; T47-G51 PolarHBondContact O-N 3.4Å; T47-F52 HydrophobicContact CG2-CB 3.84Å; T47-F52 PolarHBondContact O-N 2.64Å; T47-F52 VanDerWaalsContact O-N 3.1Å; T47-A55 HydrophobicContact CG2-CB 4.09Å; T47-A55 WeakPolarHBondContact OG1-CB 3.4Å
48E97.9Very high97.6Very high116 Ų11689.6 Ų89.654%0.54244%0.443SS..Hα-helixtrans-63.4-44176-72.1173.1-176.500111.3K44 A50 G51K44-E48 WeakPolarHBondContact CE-OE1 3.44Å; K44-E48 WeakPolarHBondContact O-CG 3.15Å; K44-E48 PolarHBondContact O-N 3.4Å; E48-A50 VanDerWaalsContact C-N 3.25Å; E48-A50 PolarHBondContact O-N 3.37Å; E48-G51 PolarHBondContact O-N 3.07Å
49K98.2Very high97.6Very high174 Ų17485.7 Ų85.776%0.75743%0.428SS*.Hα-helixtrans-63.3-29.6175.7-76.3177.6-179-68.10113.2M45 V46 G51M45-K49 WeakPolarHBondContact O-CB 3.18Å; M45-K49 VanDerWaalsContact O-CG 3.29Å; M45-K49 WeakPolarHBondContact O-CG 3.04Å; M45-K49 PolarHBondContact O-N 3.04Å; V46-K49 PolarHBondContact O-N 2.86Å; K49-G51 PolarHBondContact O-N 2.9Å
50A97.6Very high97.6Very high44 Ų4487.3 Ų87.336%0.36445%0.445SS..THydrogen-bonded Turntrans-77.8-2.3173.800000113.3F15 V46 T47 E48 F52F15-A50 HydrophobicContact CD1-CB 4.4Å; F15-A50 HydrophobicContact CD2-CB 3.96Å; F15-A50 HydrophobicContact CE1-CB 4.18Å; F15-A50 HydrophobicContact CE2-CB 3.71Å; F15-A50 HydrophobicContact CG-CB 4.32Å; F15-A50 HydrophobicContact CZ-CB 3.83Å; V46-A50 WeakPolarHBondContact O-CB 3.29Å; V46-A50 PolarHBondContact O-N 3.3Å; T47-A50 PolarHBondContact O-N 2.72Å; E48-A50 VanDerWaalsContact C-N 3.25Å; E48-A50 PolarHBondContact O-N 3.37Å; A50-F52 HydrophobicContact CB-CD2 4.09Å; A50-F52 WeakPolarHBondContact O-CD2 3.39Å
51G97.7Very high97.6Very high68 Ų6887.7 Ų87.770%0.70145%0.447SS*.THydrogen-bonded Turntrans81.213179.100000114.5T47 E48 K49T47-G51 PolarHBondContact O-N 3.4Å; E48-G51 PolarHBondContact O-N 3.07Å; K49-G51 PolarHBondContact O-N 2.9Å
52F97.9Very high97.6Very high69 Ų6985 Ų8530%0.30344%0.439SS..  trans-97.5144178-76.4-98000111.2L13 F15 T47 A50L13-F52 HydrophobicContact CB-CE1 4.07Å; F15-F52 HydrophobicContact CB-CB 3.76Å; F15-F52 HydrophobicContact CB-CD1 4.14Å; F15-F52 HydrophobicContact CB-CD2 3.91Å; F15-F52 HydrophobicContact CB-CG 3.67Å; F15-F52 AromaticContact CD2-CD2 3.73Å; F15-F52 HydrophobicContact CD2-CD2 3.73Å; F15-F52 AromaticContact CD2-CE2 3.85Å; F15-F52 HydrophobicContact CD2-CE2 3.85Å; F15-F52 HydrophobicContact CD2-CG 4.37Å; F15-F52 HydrophobicContact CG-CD2 4.11Å; F15-F52 HydrophobicContact CG-CG 4.37Å; T47-F52 HydrophobicContact CG2-CB 3.84Å; T47-F52 PolarHBondContact O-N 2.64Å; T47-F52 VanDerWaalsContact O-N 3.1Å; A50-F52 HydrophobicContact CB-CD2 4.09Å; A50-F52 WeakPolarHBondContact O-CD2 3.39Å
53K95Very high97.6Very high201 Ų20186 Ų8687%0.87444%0.44SS*.SBendtrans-77.6-24.3174.3-63.7-180-178.4175.60112.7
54R96.1Very high97.6Very high172 Ų17288.6 Ų88.665%0.64946%0.457SS*.  trans-148.9144.6-170-59.5-179.3-175.2167.7-0110.7R14 F15R14-R54 WeakPolarHBondContact CA-O 3.27Å; R14-R54 HydrophobicContact CG-CB 4.43Å; F15-R54 PolarHBondContact N-O 3.17Å
55A97.5Very high97.6Very high20 Ų2088.5 Ų88.517%0.16545%0.453CS..BIsolated β-bridgetrans-103.8165.9167.900000111.4F15 T47F15-A55 CarbonylContact O-C 3.53Å; F15-A55 WeakPolarHBondContact O-CA 3.24Å; T47-A55 HydrophobicContact CG2-CB 4.09Å; T47-A55 WeakPolarHBondContact OG1-CB 3.4Å
56F97.9Very high97.6Very high28 Ų2890.6 Ų90.612%0.12346%0.459CS..  trans-71134.8163.3-74.4-77.4000110.2R14 F15 K19 T59 T64 V67R14-F56 HydrophobicContact CB-CD2 3.85Å; R14-F56 HydrophobicContact CB-CE1 4.38Å; R14-F56 HydrophobicContact CB-CE2 3.66Å; R14-F56 HydrophobicContact CB-CG 4.3Å; R14-F56 HydrophobicContact CB-CZ 3.92Å; R14-F56 HydrophobicContact CG-CZ 4.37Å; R14-F56 WeakPolarHBondContact O-CE2 3.47Å; F15-F56 WeakPolarHBondContact O-CD2 3.31Å; F15-F56 PolarHBondContact O-N 3.26Å; K19-F56 WeakPolarHBondContact CE-O 3.45Å; F56-T59 HydrophobicContact CB-CG2 3.35Å; F56-T59 HydrophobicContact CD2-CG2 4.48Å; F56-T59 HydrophobicContact CG-CG2 4.01Å; F56-T64 HydrophobicContact CE1-CG2 4.21Å; F56-T64 HydrophobicContact CZ-CG2 4.38Å; F56-V67 HydrophobicContact CZ-CG2 3.75Å
57I95.7Very high97.5Very high146 Ų14689.3 Ų89.375%0.74945%0.452SS*.SBendtrans-79.3-44.4174.3-57.5173.8000109.4
58I96.4Very high97.5Very high154 Ų15491.2 Ų91.279%0.7946%0.462SS*.SBendtrans-117.8121.8-177.1-55.5174.8000108.8
59T98Very high97.5Very high20 Ų2090.9 Ų90.912%0.12346%0.462CS..  trans-140.2167.9171.668.20000109.7K19 G23 F56 T62K19-T59 WeakPolarHBondContact CB-OG1 3.05Å; K19-T59 WeakPolarHBondContact CG-OG1 3.42Å; G23-T59 WeakPolarHBondContact CA-O 3.38Å; F56-T59 HydrophobicContact CB-CG2 3.35Å; F56-T59 HydrophobicContact CD2-CG2 4.48Å; F56-T59 HydrophobicContact CG-CG2 4.01Å; T59-T62 WeakPolarHBondContact CB-O 3.4Å
60G97.8Very high97.5Very high38 Ų3886.3 Ų86.339%0.39244%0.444SS..SBendtrans-90-137.3157.400000109.8G23 T62G23-G60 WeakPolarHBondContact CA-O 3.37Å; G23-G60 PolarHBondContact N-O 3.41Å; G60-T62 VanDerWaalsContact C-N 3.3Å; G60-T62 PolarHBondContact O-N 2.97Å
61Q98.2Very high97.5Very high131 Ų13186.5 Ų86.561%0.61244%0.44SS*.SBendtrans-61.4-38.3172.4-171.7168.8500112.7R16 T21R16-Q61 VanDerWaalsContact CZ-O 3.25Å; R16-Q61 PolarHBondContact NE-O 3.49Å; R16-Q61 PolarHBondContact NH2-O 3.21Å; T21-Q61 WeakPolarHBondContact O-CA 3.19Å; T21-Q61 WeakPolarHBondContact O-CB 3.43Å; T21-Q61 WeakPolarHBondContact O-CG 2.9Å
62T98.3Very high97.5Very high64 Ų6488.5 Ų88.539%0.39343%0.434SS..SBendtrans-115.9169.3-18066.80000110.8T59 G60T59-T62 WeakPolarHBondContact CB-O 3.4Å; G60-T62 VanDerWaalsContact C-N 3.3Å; G60-T62 PolarHBondContact O-N 2.97Å
63Y98.3Very high97.5Very high69 Ų6988.3 Ų88.327%0.27144%0.441SS..  trans-62163.1160.869.5-91.6000110.7R65 V67 D68Y63-R65 PolarHBondContact O-N 3.4Å; Y63-R65 PolarHBondContact OH-NH1 3.13Å; Y63-V67 HydrophobicContact CD2-CB 4.25Å; Y63-V67 HydrophobicContact CD2-CG2 4.45Å; Y63-V67 HydrophobicContact CE2-CB 4.22Å; Y63-D68 WeakPolarHBondContact CE2-OD1 3.14Å; Y63-D68 PolarHBondContact OH-OD1 3.05Å; Y63-D68 PolarHBondContact OH-OD2 2.65Å
64T97.6Very high97.6Very high74 Ų7479.3 Ų79.345%0.45440%0.403SS..  trans-69.9122.9178.6-179.60000111.5F56 K66 V67F56-T64 HydrophobicContact CE1-CG2 4.21Å; F56-T64 HydrophobicContact CZ-CG2 4.38Å; T64-K66 HydrophobicContact CG2-CB 4.46Å; T64-K66 PolarHBondContact O-N 2.88Å; T64-K66 VanDerWaalsContact O-N 3.07Å; T64-K66 PolarHBondContact OG1-N 3.08Å; T64-V67 HydrophobicContact CG2-CG2 3.85Å; T64-V67 WeakPolarHBondContact O-CB 3.36Å; T64-V67 WeakPolarHBondContact O-CG2 3.39Å; T64-V67 PolarHBondContact O-N 2.99Å
65R98.1Very high97.7Very high128 Ų12873.9 Ų73.948%0.48339%0.387SS..THydrogen-bonded Turntrans-66.3-8.4178.5-61-64.3173-171.2-4.1113.7Y63 V67 D68 I69Y63-R65 PolarHBondContact O-N 3.4Å; Y63-R65 PolarHBondContact OH-NH1 3.13Å; R65-V67 PolarHBondContact O-N 3.38Å; R65-D68 WeakPolarHBondContact CD-OD2 3.35Å; R65-D68 IonicContact CZ-OD2 3.8Å; R65-D68 IonicContact NE-OD2 2.71Å; R65-D68 IonicContact NH1-OD2 2.65Å; R65-D68 PolarHBondContact NH1-OD2 2.89Å; R65-D68 WeakPolarHBondContact O-CB 3.37Å; R65-D68 PolarHBondContact O-N 2.96Å; R65-I69 PolarHBondContact O-N 3.4Å
66K98Very high97.7Very high134 Ų13474.2 Ų74.258%0.58339%0.389SS*.Hα-helixtrans-56.5-33166.4-172.5-178.4174.273.60111.9T64 D68 I69 E70T64-K66 HydrophobicContact CG2-CB 4.46Å; T64-K66 PolarHBondContact O-N 2.88Å; T64-K66 VanDerWaalsContact O-N 3.07Å; T64-K66 PolarHBondContact OG1-N 3.08Å; K66-D68 VanDerWaalsContact C-N 3.28Å; K66-D68 PolarHBondContact O-N 3.34Å; K66-I69 WeakPolarHBondContact O-CB 3.47Å; K66-I69 PolarHBondContact O-N 3.46Å; K66-E70 PolarHBondContact O-N 3.13Å; K66-E70 VanDerWaalsContact O-N 3.08Å
67V97.8Very high97.8Very high21 Ų2175 Ų7513%0.12740%0.399CS..Hα-helixtrans-59.6-41.2174.5176.50000111L13 F56 Y63 T64 R65 I69 E70 V71L13-V67 HydrophobicContact CD2-CG1 3.62Å; F56-V67 HydrophobicContact CZ-CG2 3.75Å; Y63-V67 HydrophobicContact CD2-CB 4.25Å; Y63-V67 HydrophobicContact CD2-CG2 4.45Å; Y63-V67 HydrophobicContact CE2-CB 4.22Å; T64-V67 HydrophobicContact CG2-CG2 3.85Å; T64-V67 WeakPolarHBondContact O-CB 3.36Å; T64-V67 WeakPolarHBondContact O-CG2 3.39Å; T64-V67 PolarHBondContact O-N 2.99Å; R65-V67 PolarHBondContact O-N 3.38Å; V67-I69 VanDerWaalsContact C-N 3.28Å; V67-I69 PolarHBondContact O-N 3.49Å; V67-E70 PolarHBondContact O-N 3.08Å; V67-E70 VanDerWaalsContact O-N 3.13Å; V67-V71 HydrophobicContact CG1-CG2 4.4Å; V67-V71 WeakPolarHBondContact O-CG2 3.42Å; V67-V71 PolarHBondContact O-N 3.2Å
68D98.2Very high97.9Very high45 Ų4570.8 Ų70.824%0.24138%0.377CS..Hα-helixtrans-63.5-38.9179.8-59.5-25.1000110.4Y63 R65 K66 E70 V71 L72Y63-D68 WeakPolarHBondContact CE2-OD1 3.14Å; Y63-D68 PolarHBondContact OH-OD1 3.05Å; Y63-D68 PolarHBondContact OH-OD2 2.65Å; R65-D68 WeakPolarHBondContact CD-OD2 3.35Å; R65-D68 IonicContact CZ-OD2 3.8Å; R65-D68 IonicContact NE-OD2 2.71Å; R65-D68 IonicContact NH1-OD2 2.65Å; R65-D68 PolarHBondContact NH1-OD2 2.89Å; R65-D68 WeakPolarHBondContact O-CB 3.37Å; R65-D68 PolarHBondContact O-N 2.96Å; K66-D68 VanDerWaalsContact C-N 3.28Å; K66-D68 PolarHBondContact O-N 3.34Å; D68-E70 PolarHBondContact O-N 3Å; D68-V71 PolarHBondContact O-N 3.37Å; D68-L72 WeakPolarHBondContact O-CB 3.27Å; D68-L72 VanDerWaalsContact O-CG 3.27Å; D68-L72 WeakPolarHBondContact O-CG 3.41Å; D68-L72 PolarHBondContact O-N 3.04Å
69I97.9Very high98Very high109 Ų10963.5 Ų63.556%0.55934%0.34SS*.Hα-helixtrans-62.3-43.2174.2-58.9173.8000110.8R65 K66 V67 L72 S73R65-I69 PolarHBondContact O-N 3.4Å; K66-I69 WeakPolarHBondContact O-CB 3.47Å; K66-I69 PolarHBondContact O-N 3.46Å; V67-I69 VanDerWaalsContact C-N 3.28Å; V67-I69 PolarHBondContact O-N 3.49Å; I69-L72 PolarHBondContact O-N 3.27Å; I69-S73 VanDerWaalsContact O-CB 3.25Å; I69-S73 WeakPolarHBondContact O-CB 3.44Å; I69-S73 PolarHBondContact O-N 3.47Å; I69-S73 PolarHBondContact O-OG 2.69Å
70E97.6Very high98Very high78 Ų7864.7 Ų64.736%0.36435%0.352SS..Hα-helixtrans-64.1-41.3178.7-70.1-176.4162.900112.2K66 V67 D68 V74K66-E70 PolarHBondContact O-N 3.13Å; K66-E70 VanDerWaalsContact O-N 3.08Å; V67-E70 PolarHBondContact O-N 3.08Å; V67-E70 VanDerWaalsContact O-N 3.13Å; D68-E70 PolarHBondContact O-N 3Å; E70-V74 PolarHBondContact O-N 3.39Å
71V98Very high98Very high47 Ų4764.8 Ų64.829%0.28535%0.346SS..Hα-helixtrans-63.1-48.7174.8173.80000110.9V9 L13 V67 D68 S73 V74 L75V9-V71 HydrophobicContact CG1-CB 4.42Å; V9-V71 HydrophobicContact CG1-CG2 3.67Å; L13-V71 HydrophobicContact CD2-CG2 4.13Å; V67-V71 HydrophobicContact CG1-CG2 4.4Å; V67-V71 WeakPolarHBondContact O-CG2 3.42Å; V67-V71 PolarHBondContact O-N 3.2Å; D68-V71 PolarHBondContact O-N 3.37Å; V71-S73 VanDerWaalsContact C-N 3.34Å; V71-S73 PolarHBondContact O-N 3.41Å; V71-V74 WeakPolarHBondContact O-CG2 3.39Å; V71-V74 PolarHBondContact O-N 3.36Å; V71-L75 HydrophobicContact CG1-CD1 4.38Å; V71-L75 WeakPolarHBondContact O-CG 3.3Å; V71-L75 PolarHBondContact O-N 3.42Å
72L97.8Very high98Very high111 Ų11160.8 Ų60.858%0.58133%0.331SS*.Hα-helixtrans-66.4-37-179.8-69.6173.9000112D68 I69 V74 L75 A76D68-L72 WeakPolarHBondContact O-CB 3.27Å; D68-L72 VanDerWaalsContact O-CG 3.27Å; D68-L72 WeakPolarHBondContact O-CG 3.41Å; D68-L72 PolarHBondContact O-N 3.04Å; I69-L72 PolarHBondContact O-N 3.27Å; L72-V74 VanDerWaalsContact C-N 3.34Å; L72-V74 PolarHBondContact O-N 3.3Å; L72-L75 PolarHBondContact O-N 3.12Å; L72-A76 WeakPolarHBondContact O-CB 3.39Å; L72-A76 PolarHBondContact O-N 2.91Å
73S97.3Very high98.1Very high64 Ų6460 Ų6045%0.44832%0.323SS..Hα-helixtrans-61.9-40.4-179.6-62.70000112.4I69 V71 L75 A76 S77I69-S73 VanDerWaalsContact O-CB 3.25Å; I69-S73 WeakPolarHBondContact O-CB 3.44Å; I69-S73 PolarHBondContact O-N 3.47Å; I69-S73 PolarHBondContact O-OG 2.69Å; V71-S73 VanDerWaalsContact C-N 3.34Å; V71-S73 PolarHBondContact O-N 3.41Å; S73-L75 VanDerWaalsContact C-N 3.35Å; S73-A76 PolarHBondContact O-N 3.41Å; S73-S77 WeakPolarHBondContact O-CB 3.46Å; S73-S77 PolarHBondContact O-N 3.21Å
74V97.8Very high98.1Very high12 Ų1262.6 Ų62.67%0.07334%0.335CS..Hα-helixtrans-72.9-30.2178-62.40000112.5N5 L6 V9 E70 V71 L72 L78N5-V74 HydrophobicContact CB-CB 4.32Å; N5-V74 HydrophobicContact CB-CG1 3.89Å; L6-V74 HydrophobicContact CD2-CG2 3.99Å; V9-V74 HydrophobicContact CB-CG2 4.25Å; V9-V74 HydrophobicContact CG1-CG2 4.45Å; V9-V74 HydrophobicContact CG2-CB 4.44Å; V9-V74 HydrophobicContact CG2-CG1 3.56Å; V9-V74 HydrophobicContact CG2-CG2 4.02Å; E70-V74 PolarHBondContact O-N 3.39Å; V71-V74 WeakPolarHBondContact O-CG2 3.39Å; V71-V74 PolarHBondContact O-N 3.36Å; L72-V74 VanDerWaalsContact C-N 3.34Å; L72-V74 PolarHBondContact O-N 3.3Å; V74-L78 PolarHBondContact O-N 2.95Å; V74-L78 VanDerWaalsContact O-N 3.1Å
75L98Very high98.1Very high58 Ų5863.6 Ų63.630%0.30434%0.337SS..Hα-helixtrans-69.8-44.2172.3-65.3176.7000111.1L6 V71 L72 S73 S77 L78 G79 L131L6-L75 HydrophobicContact CD2-CD2 4.1Å; V71-L75 HydrophobicContact CG1-CD1 4.38Å; V71-L75 WeakPolarHBondContact O-CG 3.3Å; V71-L75 PolarHBondContact O-N 3.42Å; L72-L75 PolarHBondContact O-N 3.12Å; S73-L75 VanDerWaalsContact C-N 3.35Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 3.41Å; L75-L78 WeakPolarHBondContact O-CB 3.39Å; L75-L78 PolarHBondContact O-N 3.47Å; L75-L78 VanDerWaalsContact O-N 3.11Å; L75-G79 PolarHBondContact O-N 3.18Å; L75-L131 HydrophobicContact CB-CD1 3.94Å; L75-L131 HydrophobicContact CB-CD2 4.16Å; L75-L131 HydrophobicContact CB-CG 4.17Å; L75-L131 WeakPolarHBondContact O-CD2 3.24Å; L75-L131 WeakPolarHBondContact O-CG 3.44Å
76A98.3Very high98.1Very high27 Ų2758.1 Ų58.122%0.22332%0.318CS..Hα-helixtrans-58.9-42.1174.500000112L72 S73 L78 G79 A80 L131L72-A76 WeakPolarHBondContact O-CB 3.39Å; L72-A76 PolarHBondContact O-N 2.91Å; S73-A76 PolarHBondContact O-N 3.41Å; A76-L78 PolarHBondContact O-N 3.11Å; A76-G79 WeakPolarHBondContact O-CA 3.25Å; A76-G79 PolarHBondContact O-N 3.34Å; A76-G79 VanDerWaalsContact O-N 3.12Å; A76-A80 PolarHBondContact O-N 3.47Å; A76-A80 VanDerWaalsContact O-N 3.07Å; A76-L131 WeakPolarHBondContact CA-O 3.32Å; A76-L131 WeakPolarHBondContact CB-O 3.44Å
77S98.1Very high98.2Very high46 Ų4653.5 Ų53.532%0.32230%0.302SS..Hα-helixtrans-57.3-46.2172.4179.10000112.1D2 S73 L75 G79 A80 S81D2-S77 PolarHBondContact OD1-OG 3.22Å; S73-S77 WeakPolarHBondContact O-CB 3.46Å; S73-S77 PolarHBondContact O-N 3.21Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 3.41Å; S77-G79 VanDerWaalsContact C-N 3.28Å; S77-G79 PolarHBondContact O-N 3.48Å; S77-A80 WeakPolarHBondContact O-CB 3.36Å; S77-A80 PolarHBondContact O-N 3.38Å; S77-S81 PolarHBondContact O-N 2.97Å
78L98.3Very high98.2Very high56 Ų5655.4 Ų55.429%0.29331%0.311SS..Hα-helixtrans-61.2-39.4175.1174.866000111.4D2 L6 V74 L75 A76 A80 S81 V82D2-L78 HydrophobicContact CB-CD1 3.95Å; L6-L78 HydrophobicContact CD1-CD2 4.47Å; V74-L78 PolarHBondContact O-N 2.95Å; V74-L78 VanDerWaalsContact O-N 3.1Å; L75-L78 WeakPolarHBondContact O-CB 3.39Å; L75-L78 PolarHBondContact O-N 3.47Å; L75-L78 VanDerWaalsContact O-N 3.11Å; A76-L78 PolarHBondContact O-N 3.11Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.1Å; L78-S81 WeakPolarHBondContact O-CB 3.48Å; L78-S81 PolarHBondContact O-N 2.98Å; L78-V82 HydrophobicContact CD1-CG2 4.25Å; L78-V82 HydrophobicContact CG-CG2 4.38Å; L78-V82 WeakPolarHBondContact O-CG2 3.25Å; L78-V82 PolarHBondContact O-N 3.4Å
79G98.4Very high98.2Very high1 Ų155.4 Ų55.41%0.0131%0.31CS..Hα-helixtrans-53.6-47.117300000111.9L75 A76 S77 S81 V82 H83 A128L75-G79 PolarHBondContact O-N 3.18Å; A76-G79 WeakPolarHBondContact O-CA 3.25Å; A76-G79 PolarHBondContact O-N 3.34Å; A76-G79 VanDerWaalsContact O-N 3.12Å; S77-G79 VanDerWaalsContact C-N 3.28Å; S77-G79 PolarHBondContact O-N 3.48Å; G79-S81 PolarHBondContact O-N 3.28Å; G79-V82 PolarHBondContact O-N 3.2Å; G79-H83 WeakPolarHBondContact O-CB 3.45Å; G79-H83 PolarHBondContact O-N 3.47Å; G79-A128 WeakPolarHBondContact O-CB 3.31Å
80A98.4Very high98.2Very high45 Ų4554.2 Ų54.237%0.37230%0.299SS..Hα-helixtrans-60-44177.400000112.6A76 S77 L78 H83 K84 M132A76-A80 PolarHBondContact O-N 3.47Å; A76-A80 VanDerWaalsContact O-N 3.07Å; S77-A80 WeakPolarHBondContact O-CB 3.36Å; S77-A80 PolarHBondContact O-N 3.38Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.1Å; A80-H83 PolarHBondContact O-N 3.36Å; A80-K84 PolarHBondContact O-N 2.83Å; A80-M132 HydrophobicContact CB-CE 4.29Å; A80-M132 HydrophobicContact CB-SD 4.23Å
81S98.6Very high98.2Very high40 Ų4055.4 Ų55.428%0.2831%0.307SS..Hα-helixtrans-59-48.2175-67.10000112D2 S77 L78 G79 K84 I85D2-S81 VanDerWaalsContact OD2-CB 3.3Å; D2-S81 WeakPolarHBondContact OD2-CB 3.22Å; D2-S81 PolarHBondContact OD2-OG 3.16Å; S77-S81 PolarHBondContact O-N 2.97Å; L78-S81 WeakPolarHBondContact O-CB 3.48Å; L78-S81 PolarHBondContact O-N 2.98Å; G79-S81 PolarHBondContact O-N 3.28Å; S81-K84 PolarHBondContact O-N 2.66Å; S81-I85 VanDerWaalsContact O-CG1 3.32Å; S81-I85 WeakPolarHBondContact O-CG1 3.43Å; S81-I85 PolarHBondContact O-N 3.16Å; S81-I85 VanDerWaalsContact O-N 3.09Å
82V98.6Very high98.2Very high47 Ų4755.6 Ų55.629%0.28531%0.306SS..Hα-helixtrans-63.8-46.1179.41730000111.1L78 G79 K84 I85 C86 C124 A128L78-V82 HydrophobicContact CD1-CG2 4.25Å; L78-V82 HydrophobicContact CG-CG2 4.38Å; L78-V82 WeakPolarHBondContact O-CG2 3.25Å; L78-V82 PolarHBondContact O-N 3.4Å; G79-V82 PolarHBondContact O-N 3.2Å; V82-K84 VanDerWaalsContact C-N 3.31Å; V82-K84 PolarHBondContact O-N 2.84Å; V82-I85 PolarHBondContact O-N 2.98Å; V82-C86 WeakPolarHBondContact O-CB 3.44Å; V82-C86 PolarHBondContact O-N 3.44Å; V82-C124 HydrophobicContact CG1-CB 3.94Å; V82-A128 HydrophobicContact CB-CB 4.11Å; V82-A128 HydrophobicContact CG1-CB 4Å
83H98.7Very high98.2Very high47 Ų4751.4 Ų51.422%0.21829%0.288CS..Hα-helixtrans-60-42.6-179.4-170.6-77.2000111.3G79 A80 T87 C125 A128 R129 M132G79-H83 WeakPolarHBondContact O-CB 3.45Å; G79-H83 PolarHBondContact O-N 3.47Å; A80-H83 PolarHBondContact O-N 3.36Å; H83-T87 VanDerWaalsContact O-CB 3.29Å; H83-T87 WeakPolarHBondContact O-CB 3.44Å; H83-T87 PolarHBondContact O-N 2.82Å; H83-T87 PolarHBondContact O-OG1 3.41Å; H83-C125 PolarHBondContact CD2-O 2.84Å; H83-A128 HydrophobicContact CB-CB 3.96Å; H83-R129 PolarHBondContact NE2-NH2 3.43Å; H83-R129 VanDerWaalsContact NE2-NH2 3.15Å; H83-M132 HydrophobicContact CB-SD 4.23Å
84K98.6Very high98.1Very high124 Ų12454.5 Ų54.554%0.53930%0.299SS..Hα-helixtrans-62.1-55.7176.3-174.5-136.6-175.3-79.20111.5A80 S81 V82 C86 T87 D88A80-K84 PolarHBondContact O-N 2.83Å; S81-K84 PolarHBondContact O-N 2.66Å; V82-K84 VanDerWaalsContact C-N 3.31Å; V82-K84 PolarHBondContact O-N 2.84Å; K84-C86 VanDerWaalsContact C-N 3.35Å; K84-C86 PolarHBondContact O-N 3.48Å; K84-T87 PolarHBondContact O-N 3.06Å; K84-T87 VanDerWaalsContact O-N 3.13Å; K84-D88 IonicContact NZ-OD2 2.59Å; K84-D88 PolarHBondContact NZ-OD2 3.37Å; K84-D88 PolarHBondContact O-N 3.03Å
85I98.4Very high98Very high95 Ų9558.9 Ų58.949%0.48732%0.322SS..Hα-helixtrans-57.4-48.2-176.7-67.9166000111S81 V82 T87 D88 I89S81-I85 VanDerWaalsContact O-CG1 3.32Å; S81-I85 WeakPolarHBondContact O-CG1 3.43Å; S81-I85 PolarHBondContact O-N 3.16Å; S81-I85 VanDerWaalsContact O-N 3.09Å; V82-I85 PolarHBondContact O-N 2.98Å; I85-T87 VanDerWaalsContact C-N 3.32Å; I85-T87 PolarHBondContact O-N 3.02Å; I85-D88 PolarHBondContact O-N 3.36Å; I85-I89 HydrophobicContact CG2-CD1 4.01Å; I85-I89 WeakPolarHBondContact O-CG1 3.43Å; I85-I89 PolarHBondContact O-N 3.27Å
86C98.4Very high97.8Very high14 Ų1464.6 Ų64.610%0.09534%0.344CS..Hα-helixtrans-69.4-28.9-179.3-71.40000112.8V82 K84 R90 C124 C125V82-C86 WeakPolarHBondContact O-CB 3.44Å; V82-C86 PolarHBondContact O-N 3.44Å; K84-C86 VanDerWaalsContact C-N 3.35Å; K84-C86 PolarHBondContact O-N 3.48Å; C86-R90 VanDerWaalsContact O-CD 3.29Å; C86-R90 WeakPolarHBondContact O-CD 3.07Å; C86-R90 WeakPolarHBondContact O-CG 3.47Å; C86-R90 PolarHBondContact O-N 2.71Å; C86-R90 VanDerWaalsContact O-N 3.08Å; C86-C124 HydrophobicContact CB-CB 4.24Å; C86-C124 WeakPolarHBondContact SG-CB 3.28Å; C86-C125 WeakPolarHBondContact CB-SG 3.14Å
87T98.6Very high97.8Very high37 Ų3769.7 Ų69.723%0.22736%0.363CS..Hα-helixtrans-67-45.9171.8-59.50000110.4H83 K84 I85 I89 R90 L91H83-T87 VanDerWaalsContact O-CB 3.29Å; H83-T87 WeakPolarHBondContact O-CB 3.44Å; H83-T87 PolarHBondContact O-N 2.82Å; H83-T87 PolarHBondContact O-OG1 3.41Å; K84-T87 PolarHBondContact O-N 3.06Å; K84-T87 VanDerWaalsContact O-N 3.13Å; I85-T87 VanDerWaalsContact C-N 3.32Å; I85-T87 PolarHBondContact O-N 3.02Å; T87-I89 VanDerWaalsContact C-N 3.32Å; T87-I89 PolarHBondContact O-N 3.09Å; T87-R90 WeakPolarHBondContact O-CB 3.04Å; T87-R90 PolarHBondContact O-N 3.37Å; T87-R90 VanDerWaalsContact O-N 3.09Å; T87-L91 HydrophobicContact CG2-CD1 4.36Å; T87-L91 WeakPolarHBondContact O-CG 3.41Å; T87-L91 PolarHBondContact O-N 2.96Å
88D98.6Very high97.6Very high61 Ų6172.1 Ų72.133%0.32637%0.371SS..Hα-helixtrans-59.6-43.4177.4-64.1-13.2000111.1K84 I85 R90 L91 L92K84-D88 IonicContact NZ-OD2 2.59Å; K84-D88 PolarHBondContact NZ-OD2 3.37Å; K84-D88 PolarHBondContact O-N 3.03Å; I85-D88 PolarHBondContact O-N 3.36Å; D88-R90 VanDerWaalsContact C-N 3.32Å; D88-R90 PolarHBondContact O-N 3.27Å; D88-L91 PolarHBondContact O-N 3.43Å; D88-L92 VanDerWaalsContact O-CG 3.31Å; D88-L92 WeakPolarHBondContact O-CG 3.46Å; D88-L92 PolarHBondContact O-N 3.07Å
89I98.3Very high97.4Very high44 Ų4474.4 Ų74.423%0.22638%0.38CS..Hα-helixtrans-58.9-42.9175-68167.9000111.2I85 T87 L91 L92 A93 M98 E100 S121I85-I89 HydrophobicContact CG2-CD1 4.01Å; I85-I89 WeakPolarHBondContact O-CG1 3.43Å; I85-I89 PolarHBondContact O-N 3.27Å; T87-I89 VanDerWaalsContact C-N 3.32Å; T87-I89 PolarHBondContact O-N 3.09Å; I89-L91 VanDerWaalsContact C-N 3.33Å; I89-L91 PolarHBondContact O-N 3.37Å; I89-L92 PolarHBondContact O-N 3.25Å; I89-A93 VanDerWaalsContact O-CB 3.32Å; I89-A93 WeakPolarHBondContact O-CB 3.4Å; I89-A93 PolarHBondContact O-N 3.44Å; I89-M98 HydrophobicContact CG1-CE 4.48Å; I89-E100 HydrophobicContact CG2-CG 4.31Å; I89-S121 WeakPolarHBondContact CG2-OG 3.35Å
90R97.9Very high97.1Very high85 Ų8575.7 Ų75.732%0.32139%0.386SS..Hα-helixtrans-63.8-38.6178.3-70.8161.464.8-148.7-3.4112.1C86 T87 D88 N94 P118 E122C86-R90 VanDerWaalsContact O-CD 3.29Å; C86-R90 WeakPolarHBondContact O-CD 3.07Å; C86-R90 WeakPolarHBondContact O-CG 3.47Å; C86-R90 PolarHBondContact O-N 2.71Å; C86-R90 VanDerWaalsContact O-N 3.08Å; T87-R90 WeakPolarHBondContact O-CB 3.04Å; T87-R90 PolarHBondContact O-N 3.37Å; T87-R90 VanDerWaalsContact O-N 3.09Å; D88-R90 VanDerWaalsContact C-N 3.32Å; D88-R90 PolarHBondContact O-N 3.27Å; R90-N94 PolarHBondContact O-N 3.07Å; R90-P118 HydrophobicContact CB-CG 4.25Å; R90-P118 HydrophobicContact CG-CB 4.07Å; R90-P118 HydrophobicContact CG-CG 3.8Å; R90-E122 HydrophobicContact CG-CG 4.4Å
91L98.3Very high96.8Very high103 Ų10378 Ų7854%0.53940%0.397SS..Hα-helixtrans-67.6-45.8176-66.3173.7000111.2T87 D88 I89 A93 N94 L95T87-L91 HydrophobicContact CG2-CD1 4.36Å; T87-L91 WeakPolarHBondContact O-CG 3.41Å; T87-L91 PolarHBondContact O-N 2.96Å; D88-L91 PolarHBondContact O-N 3.43Å; I89-L91 VanDerWaalsContact C-N 3.33Å; I89-L91 PolarHBondContact O-N 3.37Å; L91-A93 VanDerWaalsContact C-N 3.3Å; L91-A93 PolarHBondContact O-N 3.17Å; L91-N94 WeakPolarHBondContact O-CB 3.35Å; L91-N94 PolarHBondContact O-N 3.45Å; L91-N94 VanDerWaalsContact O-N 3.1Å; L91-L95 PolarHBondContact O-N 2.55Å
92L98Very high96.3Very high50 Ų5079.8 Ų79.826%0.26240%0.4SS..Hα-helixtrans-65.3-33.3177.5-66171.1000112.5D88 I89 N94 L95 K96 E97 M98D88-L92 VanDerWaalsContact O-CG 3.31Å; D88-L92 WeakPolarHBondContact O-CG 3.46Å; D88-L92 PolarHBondContact O-N 3.07Å; I89-L92 PolarHBondContact O-N 3.25Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-L95 CarbonylContact O-C 3.03Å; L92-L95 PolarHBondContact O-N 3.25Å; L92-K96 PolarHBondContact O-N 3.41Å; L92-E97 HydrophobicContact CD2-CB 4.34Å; L92-E97 WeakPolarHBondContact CD2-OE2 3.01Å; L92-E97 PolarHBondContact O-N 3.27Å; L92-M98 HydrophobicContact CB-CB 4.11Å; L92-M98 HydrophobicContact CD1-CE 3.47Å; L92-M98 VanDerWaalsContact CD1-CE 3.47Å; L92-M98 HydrophobicContact CD1-CG 4.45Å
93A95.8Very high95.8Very high23 Ų2382.9 Ų82.919%0.1941%0.411CS..Hα-helixtrans-65.3-34.9172.200000112.7I89 L91 L95 K96 M98 P118I89-A93 VanDerWaalsContact O-CB 3.32Å; I89-A93 WeakPolarHBondContact O-CB 3.4Å; I89-A93 PolarHBondContact O-N 3.44Å; L91-A93 VanDerWaalsContact C-N 3.3Å; L91-A93 PolarHBondContact O-N 3.17Å; A93-L95 VanDerWaalsContact C-N 3.32Å; A93-K96 PolarHBondContact O-N 3.29Å; A93-M98 WeakPolarHBondContact CA-O 3.46Å; A93-M98 PolarHBondContact N-O 3.32Å; A93-P118 HydrophobicContact CB-CB 4.29Å; A93-P118 HydrophobicContact CB-CG 4.22Å
94N95.3Very high95.1Very high130 Ų13091.2 Ų91.270%0.69545%0.447SS*.Hα-helixtrans-64.8-37.4172.1174.3-103.4000112.1R90 L91 L92 K96R90-N94 PolarHBondContact O-N 3.07Å; L91-N94 WeakPolarHBondContact O-CB 3.35Å; L91-N94 PolarHBondContact O-N 3.45Å; L91-N94 VanDerWaalsContact O-N 3.1Å; L92-N94 VanDerWaalsContact C-N 3.33Å; N94-K96 PolarHBondContact O-N 2.69Å
95L96.8Very high94.5Very high104 Ų10494 Ų9455%0.54546%0.462SS..THydrogen-bonded Turntrans-78-5.9176.4-60.6177.6000113.7L91 L92 A93 E97L91-L95 PolarHBondContact O-N 2.55Å; L92-L95 CarbonylContact O-C 3.03Å; L92-L95 PolarHBondContact O-N 3.25Å; A93-L95 VanDerWaalsContact C-N 3.32Å; L95-E97 HydrophobicContact CB-CG 3.92Å; L95-E97 PolarHBondContact O-N 3Å
96K94.3Very high93.7Very high178 Ų17891.4 Ų91.477%0.77445%0.447SS*.THydrogen-bonded Turntrans60.326.2-174.1-50.7178.2-179.6177.60113.7L92 A93 N94L92-K96 PolarHBondContact O-N 3.41Å; A93-K96 PolarHBondContact O-N 3.29Å; N94-K96 PolarHBondContact O-N 2.69Å
97E96.8Very high92.7Very high134 Ų13497.1 Ų97.163%0.62648%0.476SS*.SBendtrans-88.5-30.9177.8-66.9-177.7171.600111.8L92 L95L92-E97 HydrophobicContact CD2-CB 4.34Å; L92-E97 WeakPolarHBondContact CD2-OE2 3.01Å; L92-E97 PolarHBondContact O-N 3.27Å; L95-E97 HydrophobicContact CB-CG 3.92Å; L95-E97 PolarHBondContact O-N 3Å
98M94.6Very high91.5Very high97 Ų9796 Ų9648%0.47847%0.471SS..  trans-142.1151.1175.1-71.8-143.5-66.100111.2I89 L92 A93I89-M98 HydrophobicContact CG1-CE 4.48Å; L92-M98 HydrophobicContact CB-CB 4.11Å; L92-M98 HydrophobicContact CD1-CE 3.47Å; L92-M98 VanDerWaalsContact CD1-CE 3.47Å; L92-M98 HydrophobicContact CD1-CG 4.45Å; A93-M98 WeakPolarHBondContact CA-O 3.46Å; A93-M98 PolarHBondContact N-O 3.32Å
99E93.3Very high90.5Very high103 Ų10394.6 Ų94.648%0.48147%0.466SS..  trans-131.6156.3174.1-65.6-171.715800110.9R116E99-R116 WeakPolarHBondContact OE2-CD 3.43Å; E99-R116 IonicContact OE2-CZ 3.6Å; E99-R116 IonicContact OE2-NE 3.74Å; E99-R116 IonicContact OE2-NH1 2.86Å; E99-R116 PolarHBondContact OE2-NH1 2.84Å
100E93.1Very high89.6Confident29 Ų2998.5 Ų98.514%0.13650%0.498CS..  trans-70.8157.5169.6-70.2-175.3174.900111.8I89 F102 P118 M119 R120 S121I89-E100 HydrophobicContact CG2-CG 4.31Å; E100-F102 PolarHBondContact O-N 3.37Å; E100-P118 HydrophobicContact CG-CB 4.17Å; E100-P118 VanDerWaalsContact OE1-C 3.31Å; E100-P118 WeakPolarHBondContact OE1-CA 3.38Å; E100-P118 WeakPolarHBondContact OE1-CB 3.49Å; E100-P118 VanDerWaalsContact OE2-C 3.32Å; E100-P118 WeakPolarHBondContact OE2-CA 3.32Å; E100-M119 PolarHBondContact OE2-N 2.84Å; E100-R120 VanDerWaalsContact OE2-CB 3.25Å; E100-R120 WeakPolarHBondContact OE2-CB 3.45Å; E100-R120 WeakPolarHBondContact OE2-CG 3.29Å; E100-R120 PolarHBondContact OE2-N 3.08Å; E100-S121 WeakPolarHBondContact OE1-CA 3.48Å; E100-S121 WeakPolarHBondContact OE1-CB 3.15Å; E100-S121 PolarHBondContact OE1-N 3.28Å; E100-S121 PolarHBondContact OE1-OG 3.01Å
101P91.8Very high88.7Confident94 Ų9498.3 Ų98.361%0.6151%0.514SS*.  trans-54.1131.5169.7-23.733.6000111.2
102F88.7Confident87.7Confident77 Ų7796.3 Ų96.334%0.33850%0.503SS..  trans-107.8120.5-179.9-164.9-95.7000109.9E100 Q106 R116E100-F102 PolarHBondContact O-N 3.37Å; F102-Q106 HydrophobicContact CD2-CB 4.47Å; F102-Q106 HydrophobicContact CD2-CG 4.31Å; F102-Q106 HydrophobicContact CE1-CB 4.22Å; F102-Q106 WeakPolarHBondContact CE1-O 3.06Å; F102-Q106 HydrophobicContact CE2-CB 4.18Å; F102-Q106 HydrophobicContact CE2-CG 3.95Å; F102-Q106 HydrophobicContact CZ-CB 4.06Å; F102-Q106 HydrophobicContact CZ-CG 4.26Å; F102-Q106 WeakPolarHBondContact CZ-O 3.39Å; F102-R116 HydrophobicContact CD2-CG 4.12Å; F102-R116 HydrophobicContact CE2-CG 4.11Å
103E87.3Confident86.6Confident112 Ų11299.5 Ų99.552%0.52353%0.527SS..  trans-77.7151.2-179.7-57.5-179.7170.700111.5Q105 Q106 R120E103-Q105 PolarHBondContact O-N 3.4Å; E103-Q106 HydrophobicContact CB-CB 4Å; E103-Q106 VanDerWaalsContact N-OE1 3.16Å; E103-Q106 WeakPolarHBondContact O-CB 3.46Å; E103-Q106 PolarHBondContact O-N 3.36Å; E103-R120 IonicContact OE1-CZ 3Å; E103-R120 IonicContact OE1-NH2 3.75Å; E103-R120 PolarHBondContact OE1-NH2 3.47Å
104K85Confident85.6Confident221 Ų221107.1 Ų107.196%0.96155%0.552SS**THydrogen-bonded Turntrans-55.7-29.2-177.5-68.1-176.4178.2-179.50113.9
105Q84.7Confident85Confident184 Ų184105.1 Ų105.186%0.8654%0.537SS*.THydrogen-bonded Turntrans-108.24.7-177.6-66.3165-4.300112.4E103 I107E103-Q105 PolarHBondContact O-N 3.4Å; Q105-I107 PolarHBondContact O-N 2.66Å
106Q82.1Confident84.5Confident39 Ų39106.1 Ų106.118%0.18253%0.533CS..  trans-73126.2-177.5-175.4172.2-20.800110.2F102 E103F102-Q106 HydrophobicContact CD2-CB 4.47Å; F102-Q106 HydrophobicContact CD2-CG 4.31Å; F102-Q106 HydrophobicContact CE1-CB 4.22Å; F102-Q106 WeakPolarHBondContact CE1-O 3.06Å; F102-Q106 HydrophobicContact CE2-CB 4.18Å; F102-Q106 HydrophobicContact CE2-CG 3.95Å; F102-Q106 HydrophobicContact CZ-CB 4.06Å; F102-Q106 HydrophobicContact CZ-CG 4.26Å; F102-Q106 WeakPolarHBondContact CZ-O 3.39Å; E103-Q106 HydrophobicContact CB-CB 4Å; E103-Q106 VanDerWaalsContact N-OE1 3.16Å; E103-Q106 WeakPolarHBondContact O-CB 3.46Å; E103-Q106 PolarHBondContact O-N 3.36Å
107I78.4Confident84.3Confident134 Ų134100.2 Ų100.269%0.68751%0.51SS*.  trans-90.5115.4171.5-58.2175.3000107.2Q105Q105-I107 PolarHBondContact O-N 2.66Å
108G73.1Confident84.2Confident13 Ų1394.7 Ų94.713%0.13449%0.486CS..SBendtrans-72.3-48.118000000112.9K115G108-K115 CarbonylContact C-O 3.43Å; G108-K115 WeakPolarHBondContact CA-O 3.46Å
109S77.4Confident84.2Confident32 Ų3293.8 Ų93.822%0.22448%0.481CS..  trans-153.2142.9172.3175.40000109.2A111 M112S109-A111 PolarHBondContact O-N 3.03Å; S109-A111 PolarHBondContact OG-N 2.83Å; S109-M112 WeakPolarHBondContact CB-O 3.34Å; S109-M112 PolarHBondContact OG-N 3.15Å
110S78.6Confident84.4Confident127 Ų12793.2 Ų93.289%0.88848%0.475SS*.SBendtrans-62.3-25.2176.751.40000113.6
111A79.2Confident84.6Confident80 Ų8092.1 Ų92.166%0.66147%0.471SS*.SBendtrans-112-18.1-177.100000113.9S109S109-A111 PolarHBondContact O-N 3.03Å; S109-A111 PolarHBondContact OG-N 2.83Å
112M78.2Confident84.9Confident61 Ų6191.9 Ų91.930%0.346%0.461SS..  trans-130.692.5-174-70.9-179.8-80.900111.1S109 Y114 K115S109-M112 WeakPolarHBondContact CB-O 3.34Å; S109-M112 PolarHBondContact OG-N 3.15Å; M112-Y114 HydrophobicContact CB-CE1 4.43Å; M112-Y114 PolarHBondContact O-N 3.16Å; M112-Y114 VanDerWaalsContact O-N 3.16Å; M112-K115 HydrophobicContact CB-CB 3.65Å; M112-K115 HydrophobicContact CE-CD 3.45Å; M112-K115 VanDerWaalsContact CE-CD 3.45Å; M112-K115 PolarHBondContact O-N 3.12Å; M112-K115 HydrophobicContact SD-CD 4.03Å
113P73.3Confident85.3Confident118 Ų11896.2 Ų96.277%0.76648%0.475SS*.THydrogen-bonded Turntrans-60.2-27.9-176-24.733.8000114.4
114Y76.4Confident85.9Confident183 Ų18393.4 Ų93.472%0.71847%0.467SS*.THydrogen-bonded Turntrans-86.7-11.817961.5-94.8000113.6M112 R116M112-Y114 HydrophobicContact CB-CE1 4.43Å; M112-Y114 PolarHBondContact O-N 3.16Å; M112-Y114 VanDerWaalsContact O-N 3.16Å; Y114-R116 PolarHBondContact O-N 3.02Å
115K82.4Confident86.5Confident87 Ų8782.9 Ų82.938%0.37842%0.422SS..  trans-80119.9-176.4-175.1174.3-179177.40110G108 M112 N117G108-K115 CarbonylContact C-O 3.43Å; G108-K115 WeakPolarHBondContact CA-O 3.46Å; M112-K115 HydrophobicContact CB-CB 3.65Å; M112-K115 HydrophobicContact CE-CD 3.45Å; M112-K115 VanDerWaalsContact CE-CD 3.45Å; M112-K115 PolarHBondContact O-N 3.12Å; M112-K115 HydrophobicContact SD-CD 4.03Å; K115-N117 VanDerWaalsContact CE-OD1 3.24Å; K115-N117 WeakPolarHBondContact CE-OD1 2.98Å
116R85.6Confident87.2Confident125 Ų12577.3 Ų77.347%0.47240%0.403SS..  trans-114124.6175.9-66.1178.4172.3-172.80109.3E99 F102 Y114E99-R116 WeakPolarHBondContact OE2-CD 3.43Å; E99-R116 IonicContact OE2-CZ 3.6Å; E99-R116 IonicContact OE2-NE 3.74Å; E99-R116 IonicContact OE2-NH1 2.86Å; E99-R116 PolarHBondContact OE2-NH1 2.84Å; F102-R116 HydrophobicContact CD2-CG 4.12Å; F102-R116 HydrophobicContact CE2-CG 4.11Å; Y114-R116 PolarHBondContact O-N 3.02Å
117N90.9Very high88Confident55 Ų5580.9 Ų80.929%0.29442%0.423SS..  trans-107138.2178.1-58.8-48.3000109.5K115 M119K115-N117 VanDerWaalsContact CE-OD1 3.24Å; K115-N117 WeakPolarHBondContact CE-OD1 2.98Å; N117-M119 HydrophobicContact CB-CG 3.96Å; N117-M119 PolarHBondContact O-N 2.98Å
118P94.9Very high88.9Confident18 Ų1874.8 Ų74.812%0.11739%0.392CS..  trans-77.158.4178.234-37.3000111.9R90 A93 E100 R120 S121 E122R90-P118 HydrophobicContact CB-CG 4.25Å; R90-P118 HydrophobicContact CG-CB 4.07Å; R90-P118 HydrophobicContact CG-CG 3.8Å; A93-P118 HydrophobicContact CB-CB 4.29Å; A93-P118 HydrophobicContact CB-CG 4.22Å; E100-P118 HydrophobicContact CG-CB 4.17Å; E100-P118 VanDerWaalsContact OE1-C 3.31Å; E100-P118 WeakPolarHBondContact OE1-CA 3.38Å; E100-P118 WeakPolarHBondContact OE1-CB 3.49Å; E100-P118 VanDerWaalsContact OE2-C 3.32Å; E100-P118 WeakPolarHBondContact OE2-CA 3.32Å; P118-R120 VanDerWaalsContact C-N 3.25Å; P118-R120 PolarHBondContact O-N 3.25Å; P118-S121 PolarHBondContact O-N 3.44Å; P118-E122 WeakPolarHBondContact O-CG 3.42Å; P118-E122 PolarHBondContact O-N 3.33Å
119M94.6Very high90.1Very high77 Ų7779.9 Ų79.938%0.37941%0.407SS..Hα-helixtrans-63.2-29.9-172-65-176.1-70.100112.7E100 N117 R123E100-M119 PolarHBondContact OE2-N 2.84Å; N117-M119 HydrophobicContact CB-CG 3.96Å; N117-M119 PolarHBondContact O-N 2.98Å; M119-R123 WeakPolarHBondContact O-CB 3.38Å; M119-R123 PolarHBondContact O-N 3Å
120R95.9Very high91.1Very high92 Ų9285.1 Ų85.135%0.34743%0.428SS..Hα-helixtrans-71.7-45.7179.7-58.6175.9-178.3-160.3-6.6109.9E100 E103 P118 E122 R123 C124E100-R120 VanDerWaalsContact OE2-CB 3.25Å; E100-R120 WeakPolarHBondContact OE2-CB 3.45Å; E100-R120 WeakPolarHBondContact OE2-CG 3.29Å; E100-R120 PolarHBondContact OE2-N 3.08Å; E103-R120 IonicContact OE1-CZ 3Å; E103-R120 IonicContact OE1-NH2 3.75Å; E103-R120 PolarHBondContact OE1-NH2 3.47Å; P118-R120 VanDerWaalsContact C-N 3.25Å; P118-R120 PolarHBondContact O-N 3.25Å; R120-E122 VanDerWaalsContact C-N 3.32Å; R120-E122 PolarHBondContact O-N 3.12Å; R120-R123 WeakPolarHBondContact O-CB 3.44Å; R120-R123 PolarHBondContact O-N 3.31Å; R120-C124 WeakPolarHBondContact O-CB 3.5Å; R120-C124 PolarHBondContact O-N 3.13Å; R120-C124 PolarHBondContact O-SG 2.91Å
121S97.9Very high91.9Very high6 Ų682.5 Ų82.54%0.04240%0.404CS..Hα-helixtrans-63.8-38.4176.4-64.30000111.2I89 E100 P118 C124 C125I89-S121 WeakPolarHBondContact CG2-OG 3.35Å; E100-S121 WeakPolarHBondContact OE1-CA 3.48Å; E100-S121 WeakPolarHBondContact OE1-CB 3.15Å; E100-S121 PolarHBondContact OE1-N 3.28Å; E100-S121 PolarHBondContact OE1-OG 3.01Å; P118-S121 PolarHBondContact O-N 3.44Å; S121-C124 PolarHBondContact O-N 2.59Å; S121-C125 WeakPolarHBondContact O-CB 3.38Å; S121-C125 PolarHBondContact O-N 3.49Å; S121-C125 PolarHBondContact O-SG 3.39Å; S121-C125 VanDerWaalsContact O-SG 3.32Å
122E98Very high92.7Very high89 Ų8983 Ų8342%0.41639%0.394SS..Hα-helixtrans-60.3-46.1172.6-73.1174.6157.300112R90 P118 R120 C125 S126R90-E122 HydrophobicContact CG-CG 4.4Å; P118-E122 WeakPolarHBondContact O-CG 3.42Å; P118-E122 PolarHBondContact O-N 3.33Å; R120-E122 VanDerWaalsContact C-N 3.32Å; R120-E122 PolarHBondContact O-N 3.12Å; E122-C125 PolarHBondContact O-N 3.46Å; E122-S126 PolarHBondContact O-N 3.35Å
123R98.3Very high93Very high168 Ų16887.3 Ų87.363%0.63442%0.423SS*.Hα-helixtrans-63.2-45175.5-171.2-173.9-57.8161.32.7111.7M119 R120 S126 L127M119-R123 WeakPolarHBondContact O-CB 3.38Å; M119-R123 PolarHBondContact O-N 3Å; R120-R123 WeakPolarHBondContact O-CB 3.44Å; R120-R123 PolarHBondContact O-N 3.31Å; R123-S126 WeakPolarHBondContact O-CB 3.29Å; R123-S126 PolarHBondContact O-N 3.4Å; R123-S126 VanDerWaalsContact O-N 3.16Å; R123-L127 HydrophobicContact CG-CD1 4.25Å; R123-L127 WeakPolarHBondContact O-CG 3.4Å; R123-L127 PolarHBondContact O-N 2.87Å
124C98.4Very high94Very high52 Ų5285.8 Ų85.835%0.35141%0.406SS..Hα-helixtrans-59-46.5176.2-73.20000111.2V82 C86 R120 S121 S126 L127 A128V82-C124 HydrophobicContact CG1-CB 3.94Å; C86-C124 HydrophobicContact CB-CB 4.24Å; C86-C124 WeakPolarHBondContact SG-CB 3.28Å; R120-C124 WeakPolarHBondContact O-CB 3.5Å; R120-C124 PolarHBondContact O-N 3.13Å; R120-C124 PolarHBondContact O-SG 2.91Å; S121-C124 PolarHBondContact O-N 2.59Å; C124-S126 VanDerWaalsContact C-N 3.31Å; C124-S126 PolarHBondContact O-N 3.05Å; C124-L127 PolarHBondContact O-N 3.21Å; C124-A128 WeakPolarHBondContact O-CB 3.44Å; C124-A128 PolarHBondContact O-N 3.38Å
125C98.6Very high94.9Very high1 Ų180.6 Ų80.61%0.00739%0.39CS..Hα-helixtrans-58.9-41.2173.8-73.80000112.1H83 C86 S121 E122 R129H83-C125 PolarHBondContact CD2-O 2.84Å; C86-C125 WeakPolarHBondContact CB-SG 3.14Å; S121-C125 WeakPolarHBondContact O-CB 3.38Å; S121-C125 PolarHBondContact O-N 3.49Å; S121-C125 PolarHBondContact O-SG 3.39Å; S121-C125 VanDerWaalsContact O-SG 3.32Å; E122-C125 PolarHBondContact O-N 3.46Å; C125-R129 WeakPolarHBondContact O-CB 3.42Å; C125-R129 PolarHBondContact O-N 3.2Å
126S98.4Very high95.6Very high67 Ų6780.3 Ų80.347%0.46939%0.39SS..Hα-helixtrans-62-51.7178.7-166.70000111.9E122 R123 C124 R129 H130E122-S126 PolarHBondContact O-N 3.35Å; R123-S126 WeakPolarHBondContact O-CB 3.29Å; R123-S126 PolarHBondContact O-N 3.4Å; R123-S126 VanDerWaalsContact O-N 3.16Å; C124-S126 VanDerWaalsContact C-N 3.31Å; C124-S126 PolarHBondContact O-N 3.05Å; S126-R129 PolarHBondContact O-N 3.39Å; S126-H130 PolarHBondContact O-N 2.99Å
127L98.6Very high96.2Very high114 Ų11477.6 Ų77.660%0.59739%0.386SS*.Hα-helixtrans-65.6-40.4178.9-66174.2000112.1R123 C124 R129 H130 L131R123-L127 HydrophobicContact CG-CD1 4.25Å; R123-L127 WeakPolarHBondContact O-CG 3.4Å; R123-L127 PolarHBondContact O-N 2.87Å; C124-L127 PolarHBondContact O-N 3.21Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 2.99Å; L127-H130 PolarHBondContact O-N 3.09Å; L127-L131 PolarHBondContact O-N 3.18Å
128A98.5Very high96.5Very high5 Ų579.1 Ų79.14%0.04139%0.391CS..Hα-helixtrans-61.4-39.917700000112.2G79 V82 H83 C124 L131 M132G79-A128 WeakPolarHBondContact O-CB 3.31Å; V82-A128 HydrophobicContact CB-CB 4.11Å; V82-A128 HydrophobicContact CG1-CB 4Å; H83-A128 HydrophobicContact CB-CB 3.96Å; C124-A128 WeakPolarHBondContact O-CB 3.44Å; C124-A128 PolarHBondContact O-N 3.38Å; A128-L131 WeakPolarHBondContact O-CB 3.12Å; A128-L131 PolarHBondContact O-N 3.13Å; A128-L131 VanDerWaalsContact O-N 3.15Å; A128-M132 VanDerWaalsContact O-CG 3.28Å; A128-M132 WeakPolarHBondContact O-CG 3.33Å; A128-M132 PolarHBondContact O-N 3.42Å; A128-M132 VanDerWaalsContact O-N 3.12Å
129R97.9Very high96.6Very high120 Ų12083.1 Ų83.145%0.45341%0.41SS..Hα-helixtrans-63.3-43.4176.4-168.3-178.6-52.4108.711.2111.5H83 C125 S126 L127 L131 M132 T133H83-R129 PolarHBondContact NE2-NH2 3.43Å; H83-R129 VanDerWaalsContact NE2-NH2 3.15Å; C125-R129 WeakPolarHBondContact O-CB 3.42Å; C125-R129 PolarHBondContact O-N 3.2Å; S126-R129 PolarHBondContact O-N 3.39Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 2.99Å; R129-L131 PolarHBondContact O-N 3.1Å; R129-M132 PolarHBondContact O-N 3.19Å; R129-M132 VanDerWaalsContact O-N 3.13Å; R129-T133 PolarHBondContact O-N 3.15Å; R129-T133 PolarHBondContact O-OG1 3.42Å; R129-T133 VanDerWaalsContact O-OG1 3.12Å
130H97.7Very high96.7Very high142 Ų14283.6 Ų83.666%0.65741%0.412SS*.Hα-helixtrans-62.6-32.3174.6-17748.5000112.4S126 L127 M132S126-H130 PolarHBondContact O-N 2.99Å; L127-H130 PolarHBondContact O-N 3.09Å; H130-M132 VanDerWaalsContact C-N 3.29Å; H130-M132 PolarHBondContact O-N 3.23Å
131L95.9Very high96.8Very high73 Ų7382.9 Ų82.938%0.38242%0.417SS..Hα-helixtrans-71.3-25.7176.3-162.959.3000113.1L75 A76 L127 A128 R129L75-L131 HydrophobicContact CB-CD1 3.94Å; L75-L131 HydrophobicContact CB-CD2 4.16Å; L75-L131 HydrophobicContact CB-CG 4.17Å; L75-L131 WeakPolarHBondContact O-CD2 3.24Å; L75-L131 WeakPolarHBondContact O-CG 3.44Å; A76-L131 WeakPolarHBondContact CA-O 3.32Å; A76-L131 WeakPolarHBondContact CB-O 3.44Å; L127-L131 PolarHBondContact O-N 3.18Å; A128-L131 WeakPolarHBondContact O-CB 3.12Å; A128-L131 PolarHBondContact O-N 3.13Å; A128-L131 VanDerWaalsContact O-N 3.15Å; R129-L131 PolarHBondContact O-N 3.1Å
132M95.8Very high96.7Very high91 Ų9189.3 Ų89.345%0.44845%0.448SS..Hα-helixtrans-84.1-20.1-179.6-68.5165.460.400113.7A80 H83 A128 R129 H130A80-M132 HydrophobicContact CB-CE 4.29Å; A80-M132 HydrophobicContact CB-SD 4.23Å; H83-M132 HydrophobicContact CB-SD 4.23Å; A128-M132 VanDerWaalsContact O-CG 3.28Å; A128-M132 WeakPolarHBondContact O-CG 3.33Å; A128-M132 PolarHBondContact O-N 3.42Å; A128-M132 VanDerWaalsContact O-N 3.12Å; R129-M132 PolarHBondContact O-N 3.19Å; R129-M132 VanDerWaalsContact O-N 3.13Å; H130-M132 VanDerWaalsContact C-N 3.29Å; H130-M132 PolarHBondContact O-N 3.23Å
133T84.4Confident96.6Very high150 Ų15089.4 Ų89.492%0.9245%0.451SS*.  trans-123.30-171.160.30000111.8R129R129-T133 PolarHBondContact O-N 3.15Å; R129-T133 PolarHBondContact O-OG1 3.42Å; R129-T133 VanDerWaalsContact O-OG1 3.12Å

Retrieved 133 of 133 residues in 91.8 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).