A0A060YVE5_ONCMY Loading...

S100 calcium binding protein, beta (neural)

AlphaFold DB (M4UZZ7), UniProt , Accession A0A060YVE5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 95 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
1M80.3Confident94.5Very high174 Ų17487.5 Ų87.586%0.85749%0.488SS*.  0143.50-81.6164.5128.400107.5E5 A9M1-E5 VanDerWaalsContact CA-OE2 3.25Å; M1-E5 WeakPolarHBondContact CA-OE2 3.2Å; M1-E5 HydrophobicContact CB-CB 4.1Å; M1-E5 HydrophobicContact CE-CB 4.5Å; M1-E5 HydrophobicContact CG-CB 4.2Å; M1-A9 HydrophobicContact CE-CB 4.4Å
2T96.8Very high94.6Very high82 Ų8287.8 Ų87.850%0.50348%0.484SS..  trans-72.4165.9167.461.10000109.9L4 E5 S6T2-L4 VanDerWaalsContact C-N 3.3Å; T2-L4 PolarHBondContact O-N 2.82Å; T2-E5 PolarHBondContact N-OE2 2.87Å; T2-E5 PolarHBondContact O-N 3.03Å; T2-E5 VanDerWaalsContact OG1-CG 3.27Å; T2-E5 WeakPolarHBondContact OG1-CG 3.3Å; T2-E5 PolarHBondContact OG1-N 2.78Å; T2-E5 PolarHBondContact OG1-OE2 3.17Å; T2-E5 VanDerWaalsContact OG1-OE2 3.12Å; T2-S6 PolarHBondContact O-N 2.62Å; T2-S6 PolarHBondContact O-OG 2.89Å
3D96.6Very high94.7Very high142 Ų14291.2 Ų91.276%0.75949%0.494SS*.Hα-helixtrans-59.8-43.1-179-63.1-16.5000111.1S6 S7D3-S6 WeakPolarHBondContact O-CB 3.39Å; D3-S6 PolarHBondContact O-N 3.29Å; D3-S6 VanDerWaalsContact O-N 3.16Å; D3-S7 PolarHBondContact O-N 2.75Å; D3-S7 PolarHBondContact O-OG 3.16Å
4L95Very high94.8Very high125 Ų12586.6 Ų86.665%0.65447%0.47SS*.Hα-helixtrans-64.1-43.7178.1-178.360.2000112.6T2 S6 S7 L8T2-L4 VanDerWaalsContact C-N 3.3Å; T2-L4 PolarHBondContact O-N 2.82Å; L4-S6 PolarHBondContact O-N 3.36Å; L4-S7 PolarHBondContact O-N 3.05Å; L4-L8 HydrophobicContact CD1-CG 4.43Å; L4-L8 HydrophobicContact CG-CD1 4.36Å; L4-L8 WeakPolarHBondContact O-CG 3.36Å; L4-L8 PolarHBondContact O-N 3.07Å
5E95.4Very high94.9Very high97 Ų9780.9 Ų80.945%0.45344%0.44SS..Hα-helixtrans-60-37.8174.7-7317015100111.5M1 T2 A9M1-E5 VanDerWaalsContact CA-OE2 3.25Å; M1-E5 WeakPolarHBondContact CA-OE2 3.2Å; M1-E5 HydrophobicContact CB-CB 4.1Å; M1-E5 HydrophobicContact CE-CB 4.5Å; M1-E5 HydrophobicContact CG-CB 4.2Å; T2-E5 PolarHBondContact N-OE2 2.87Å; T2-E5 PolarHBondContact O-N 3.03Å; T2-E5 VanDerWaalsContact OG1-CG 3.27Å; T2-E5 WeakPolarHBondContact OG1-CG 3.3Å; T2-E5 PolarHBondContact OG1-N 2.78Å; T2-E5 PolarHBondContact OG1-OE2 3.17Å; T2-E5 VanDerWaalsContact OG1-OE2 3.12Å; E5-A9 WeakPolarHBondContact O-CB 3.21Å; E5-A9 PolarHBondContact O-N 3.49Å
6S96.2Very high94.9Very high46 Ų4680 Ų8032%0.32243%0.431SS..Hα-helixtrans-68.9-43178-51.20000111.2T2 D3 L4 L8 A9 T10T2-S6 PolarHBondContact O-N 2.62Å; T2-S6 PolarHBondContact O-OG 2.89Å; D3-S6 WeakPolarHBondContact O-CB 3.39Å; D3-S6 PolarHBondContact O-N 3.29Å; D3-S6 VanDerWaalsContact O-N 3.16Å; L4-S6 PolarHBondContact O-N 3.36Å; S6-L8 PolarHBondContact O-N 3.13Å; S6-A9 WeakPolarHBondContact O-CB 3.47Å; S6-A9 PolarHBondContact O-N 2.98Å; S6-T10 PolarHBondContact O-N 2.83Å; S6-T10 PolarHBondContact O-OG1 2.82Å; S6-T10 VanDerWaalsContact O-OG1 3.05Å
7S94.9Very high94.9Very high65 Ų6581.4 Ų81.446%0.45543%0.432SS..Hα-helixtrans-62.2-43175.9-59.40000112.4D3 L4 A9 T10 I11D3-S7 PolarHBondContact O-N 2.75Å; D3-S7 PolarHBondContact O-OG 3.16Å; L4-S7 PolarHBondContact O-N 3.05Å; S7-A9 VanDerWaalsContact C-N 3.34Å; S7-A9 PolarHBondContact O-N 3.25Å; S7-T10 PolarHBondContact O-N 3.48Å; S7-I11 WeakPolarHBondContact O-CG1 3.31Å; S7-I11 PolarHBondContact O-N 2.94Å
8L95.4Very high95Very high88 Ų8876.8 Ų76.846%0.46141%0.408SS..Hα-helixtrans-62.3-42175.4-69.5173.4000111.5L4 S6 T10 I11 M12L4-L8 HydrophobicContact CD1-CG 4.43Å; L4-L8 HydrophobicContact CG-CD1 4.36Å; L4-L8 WeakPolarHBondContact O-CG 3.36Å; L4-L8 PolarHBondContact O-N 3.07Å; S6-L8 PolarHBondContact O-N 3.13Å; L8-T10 VanDerWaalsContact C-N 3.34Å; L8-T10 PolarHBondContact O-N 3.41Å; L8-I11 PolarHBondContact O-N 2.7Å; L8-M12 WeakPolarHBondContact O-CG 3.43Å; L8-M12 PolarHBondContact O-N 3.03Å; L8-M12 VanDerWaalsContact O-N 3.14Å
9A95.8Very high94.9Very high27 Ų2772.8 Ų72.822%0.22339%0.387CS..Hα-helixtrans-61.2-43174.300000111.6M1 E5 S6 S7 I11 M12 E13M1-A9 HydrophobicContact CE-CB 4.4Å; E5-A9 WeakPolarHBondContact O-CB 3.21Å; E5-A9 PolarHBondContact O-N 3.49Å; S6-A9 WeakPolarHBondContact O-CB 3.47Å; S6-A9 PolarHBondContact O-N 2.98Å; S7-A9 VanDerWaalsContact C-N 3.34Å; S7-A9 PolarHBondContact O-N 3.25Å; A9-I11 PolarHBondContact O-N 3.18Å; A9-M12 PolarHBondContact O-N 3.45Å; A9-E13 WeakPolarHBondContact O-CG 3.4Å; A9-E13 PolarHBondContact O-N 2.59Å
10T96.6Very high94.7Very high75 Ų7575 Ų7546%0.4640%0.395SS..Hα-helixtrans-61-41.8176-58.50000112.2S6 S7 L8 M12 E13 V14S6-T10 PolarHBondContact O-N 2.83Å; S6-T10 PolarHBondContact O-OG1 2.82Å; S6-T10 VanDerWaalsContact O-OG1 3.05Å; S7-T10 PolarHBondContact O-N 3.48Å; L8-T10 VanDerWaalsContact C-N 3.34Å; L8-T10 PolarHBondContact O-N 3.41Å; T10-M12 VanDerWaalsContact C-N 3.32Å; T10-M12 PolarHBondContact O-N 2.91Å; T10-E13 PolarHBondContact O-N 2.83Å; T10-V14 HydrophobicContact CG2-CG2 4.39Å; T10-V14 WeakPolarHBondContact O-CB 3.41Å; T10-V14 WeakPolarHBondContact O-CG2 3.35Å; T10-V14 PolarHBondContact O-N 3.15Å
11I96.3Very high94.3Very high42 Ų4275.7 Ų75.722%0.21539%0.394CS..Hα-helixtrans-59.9-44.3176.5-67.9164.4000110.6S7 L8 A9 V14 F15 F74 M75 I78S7-I11 WeakPolarHBondContact O-CG1 3.31Å; S7-I11 PolarHBondContact O-N 2.94Å; L8-I11 PolarHBondContact O-N 2.7Å; A9-I11 PolarHBondContact O-N 3.18Å; I11-V14 PolarHBondContact O-N 2.89Å; I11-F15 PolarHBondContact O-N 3.25Å; I11-F74 HydrophobicContact CG2-CE1 3.87Å; I11-M75 HydrophobicContact CG2-SD 3.73Å; I11-I78 HydrophobicContact CD1-CG2 4.26Å; I11-I78 HydrophobicContact CG2-CG1 4.34Å
12M95.6Very high94.3Very high90 Ų9072.9 Ų72.944%0.44338%0.379SS..Hα-helixtrans-65-42.8177.1-67.2176.562.800112.5L8 A9 T10 F15 H16 F71L8-M12 WeakPolarHBondContact O-CG 3.43Å; L8-M12 PolarHBondContact O-N 3.03Å; L8-M12 VanDerWaalsContact O-N 3.14Å; A9-M12 PolarHBondContact O-N 3.45Å; T10-M12 VanDerWaalsContact C-N 3.32Å; T10-M12 PolarHBondContact O-N 2.91Å; M12-F15 PolarHBondContact O-N 3.47Å; M12-H16 PolarHBondContact O-N 2.89Å; M12-H16 VanDerWaalsContact O-N 3.09Å; M12-H16 PolarHBondContact O-ND1 3.32Å; M12-H16 VanDerWaalsContact O-ND1 3.12Å; M12-F71 HydrophobicContact CG-CE2 4.13Å; M12-F71 HydrophobicContact CG-CZ 3.7Å
13E95.6Very high93.4Very high133 Ų13371.9 Ų71.962%0.62139%0.385SS*.Hα-helixtrans-63.1-42.7177.9-75.9177.3178.300111.7A9 T10 H16 K17A9-E13 WeakPolarHBondContact O-CG 3.4Å; A9-E13 PolarHBondContact O-N 2.59Å; T10-E13 PolarHBondContact O-N 2.83Å; E13-H16 PolarHBondContact O-N 3.46Å; E13-K17 VanDerWaalsContact O-CB 3.29Å; E13-K17 WeakPolarHBondContact O-CB 3.46Å; E13-K17 PolarHBondContact O-N 2.7Å
14V96.5Very high92.9Very high26 Ų2668.8 Ų68.816%0.15837%0.369CS..Hα-helixtrans-61.3-49.21751680000110.1T10 I11 H16 K17 Y18 L36 E40T10-V14 HydrophobicContact CG2-CG2 4.39Å; T10-V14 WeakPolarHBondContact O-CB 3.41Å; T10-V14 WeakPolarHBondContact O-CG2 3.35Å; T10-V14 PolarHBondContact O-N 3.15Å; I11-V14 PolarHBondContact O-N 2.89Å; V14-H16 PolarHBondContact O-N 2.83Å; V14-K17 WeakPolarHBondContact O-CB 2.91Å; V14-K17 PolarHBondContact O-N 3.26Å; V14-Y18 HydrophobicContact CG1-CD2 4.08Å; V14-Y18 HydrophobicContact CG1-CE2 4.02Å; V14-Y18 VanDerWaalsContact O-CD2 3.23Å; V14-Y18 WeakPolarHBondContact O-CD2 3.42Å; V14-Y18 PolarHBondContact O-N 2.81Å; V14-L36 HydrophobicContact CG1-CD1 3.92Å; V14-L36 HydrophobicContact CG1-CG 4.16Å; V14-E40 HydrophobicContact CG1-CG 4Å
15F96.2Very high92.7Very high2 Ų268.6 Ų68.61%0.00936%0.362CS..Hα-helixtrans-53.3-52.9178177.3-97.7000112.1I11 M12 K17 Y18 A19 H26 L28 F71 F74I11-F15 PolarHBondContact O-N 3.25Å; M12-F15 PolarHBondContact O-N 3.47Å; F15-K17 PolarHBondContact O-N 3.44Å; F15-Y18 PolarHBondContact O-N 3.15Å; F15-A19 HydrophobicContact CE1-CB 4.28Å; F15-A19 HydrophobicContact CZ-CB 4.46Å; F15-A19 WeakPolarHBondContact O-CB 3.24Å; F15-A19 PolarHBondContact O-N 3.28Å; F15-H26 WeakPolarHBondContact CZ-O 3.49Å; F15-L28 HydrophobicContact CD2-CD1 3.56Å; F15-L28 HydrophobicContact CD2-CG 3.94Å; F15-L28 HydrophobicContact CE2-CD1 3.6Å; F15-L28 HydrophobicContact CE2-CG 3.64Å; F15-L28 HydrophobicContact CZ-CG 4.4Å; F15-F71 HydrophobicContact CB-CD2 4.04Å; F15-F71 HydrophobicContact CB-CE2 4.06Å; F15-F71 AromaticContact CD1-CD2 3.67Å; F15-F71 HydrophobicContact CD1-CD2 3.67Å; F15-F71 HydrophobicContact CD1-CE2 4.43Å; F15-F71 AromaticContact CD2-CD2 4Å; F15-F71 HydrophobicContact CD2-CD2 4Å; F15-F71 HydrophobicContact CE1-CB 4.08Å; F15-F71 HydrophobicContact CE1-CD2 4.08Å; F15-F71 HydrophobicContact CE2-CD2 4.36Å; F15-F71 AromaticContact CG-CD2 3.62Å; F15-F71 HydrophobicContact CG-CD2 3.62Å; F15-F71 HydrophobicContact CG-CE2 4.16Å; F15-F71 HydrophobicContact CZ-CB 4.07Å; F15-F71 HydrophobicContact CZ-CD2 4.4Å; F15-F74 HydrophobicContact CB-CD1 4.04Å; F15-F74 HydrophobicContact CB-CE1 3.84Å; F15-F74 HydrophobicContact CB-CZ 4.43Å; F15-F74 HydrophobicContact CD2-CB 3.73Å; F15-F74 AromaticContact CD2-CD1 3.48Å; F15-F74 HydrophobicContact CD2-CD1 3.48Å; F15-F74 VanDerWaalsContact CD2-CD1 3.48Å; F15-F74 HydrophobicContact CD2-CD2 4.08Å; F15-F74 HydrophobicContact CD2-CE1 4.03Å; F15-F74 AromaticContact CD2-CG 3.48Å; F15-F74 HydrophobicContact CD2-CG 3.48Å; F15-F74 VanDerWaalsContact CD2-CG 3.48Å; F15-F74 HydrophobicContact CE2-CB 3.69Å; F15-F74 HydrophobicContact CE2-CD1 4.3Å; F15-F74 AromaticContact CE2-CG 3.98Å; F15-F74 HydrophobicContact CE2-CG 3.98Å; F15-F74 HydrophobicContact CG-CD1 4.1Å; F15-F74 HydrophobicContact CG-CE1 4.38Å
16H94.9Very high92.5Very high66 Ų6670 Ų7031%0.30637%0.369SS..Hα-helixtrans-64-38.3-180-64.8135.2000112.6M12 E13 V14 Y18 A19 E20M12-H16 PolarHBondContact O-N 2.89Å; M12-H16 VanDerWaalsContact O-N 3.09Å; M12-H16 PolarHBondContact O-ND1 3.32Å; M12-H16 VanDerWaalsContact O-ND1 3.12Å; E13-H16 PolarHBondContact O-N 3.46Å; V14-H16 PolarHBondContact O-N 2.83Å; H16-Y18 PolarHBondContact O-N 3.11Å; H16-A19 PolarHBondContact O-N 3.24Å; H16-E20 WeakPolarHBondContact O-CB 3.3Å; H16-E20 VanDerWaalsContact O-CG 3.23Å; H16-E20 WeakPolarHBondContact O-CG 3.44Å; H16-E20 PolarHBondContact O-N 3.14Å
17K95.3Very high92.5Very high103 Ų10369 Ų6945%0.44836%0.359SS..Hα-helixtrans-53.9-38176.4173.2-171.1164.6-164.60112.1E13 V14 F15 E40E13-K17 VanDerWaalsContact O-CB 3.29Å; E13-K17 WeakPolarHBondContact O-CB 3.46Å; E13-K17 PolarHBondContact O-N 2.7Å; V14-K17 WeakPolarHBondContact O-CB 2.91Å; V14-K17 PolarHBondContact O-N 3.26Å; F15-K17 PolarHBondContact O-N 3.44Å; K17-E40 IonicContact NZ-OE1 2.76Å; K17-E40 PolarHBondContact NZ-OE1 3.34Å
18Y95.8Very high92.5Very high0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-90.3-38.5-179.3-70-88.1000113V14 F15 H16 E20 K21 E32 D35 L36 E39 E40V14-Y18 HydrophobicContact CG1-CD2 4.08Å; V14-Y18 HydrophobicContact CG1-CE2 4.02Å; V14-Y18 VanDerWaalsContact O-CD2 3.23Å; V14-Y18 WeakPolarHBondContact O-CD2 3.42Å; V14-Y18 PolarHBondContact O-N 2.81Å; F15-Y18 PolarHBondContact O-N 3.15Å; H16-Y18 PolarHBondContact O-N 3.11Å; Y18-E20 PolarHBondContact O-N 2.77Å; Y18-K21 HydrophobicContact CD1-CD 4.32Å; Y18-K21 WeakPolarHBondContact O-CB 3.23Å; Y18-K21 WeakPolarHBondContact O-CG 3.46Å; Y18-K21 PolarHBondContact O-N 3.32Å; Y18-E32 VanDerWaalsContact O-CD 3.25Å; Y18-E32 VanDerWaalsContact O-OE1 3.08Å; Y18-D35 HydrophobicContact CD1-CB 4.01Å; Y18-D35 HydrophobicContact CE1-CB 3.97Å; Y18-L36 HydrophobicContact CD1-CB 3.89Å; Y18-L36 HydrophobicContact CD2-CB 3.89Å; Y18-L36 HydrophobicContact CD2-CD1 3.77Å; Y18-L36 HydrophobicContact CD2-CG 3.84Å; Y18-L36 HydrophobicContact CE1-CB 4.13Å; Y18-L36 HydrophobicContact CE2-CB 4.14Å; Y18-L36 HydrophobicContact CE2-CD1 4.42Å; Y18-L36 HydrophobicContact CE2-CG 4.04Å; Y18-L36 HydrophobicContact CG-CB 3.8Å; Y18-L36 HydrophobicContact CG-CD1 4.14Å; Y18-L36 HydrophobicContact CG-CG 4.24Å; Y18-E39 WeakPolarHBondContact OH-CB 3.45Å; Y18-E39 PolarHBondContact OH-OE2 3.22Å; Y18-E40 HydrophobicContact CE2-CG 3.66Å; Y18-E40 WeakPolarHBondContact CE2-OE1 3.41Å; Y18-E40 WeakPolarHBondContact OH-CG 3.37Å; Y18-E40 PolarHBondContact OH-OE1 3.02Å
19A94.1Very high92.5Very high0 Ų064.4 Ų64.40%033%0.327CS..Hα-helixtrans-66.5-25.1178.800000113.1F15 H16 K21 K27 L28F15-A19 HydrophobicContact CE1-CB 4.28Å; F15-A19 HydrophobicContact CZ-CB 4.46Å; F15-A19 WeakPolarHBondContact O-CB 3.24Å; F15-A19 PolarHBondContact O-N 3.28Å; H16-A19 PolarHBondContact O-N 3.24Å; A19-K21 PolarHBondContact O-N 3.27Å; A19-K27 VanDerWaalsContact CB-O 3.29Å; A19-K27 WeakPolarHBondContact CB-O 3.47Å; A19-L28 HydrophobicContact CB-CD2 3.93Å; A19-L28 HydrophobicContact CB-CG 4.33Å; A19-L28 VanDerWaalsContact N-CD2 3.34Å
20E91.7Very high92.3Very high117 Ų11764.9 Ų64.955%0.54732%0.324SS..THydrogen-bonded Turntrans-76.5-6177.8-73-176.8-153.600114.2H16 Y18 K25H16-E20 WeakPolarHBondContact O-CB 3.3Å; H16-E20 VanDerWaalsContact O-CG 3.23Å; H16-E20 WeakPolarHBondContact O-CG 3.44Å; H16-E20 PolarHBondContact O-N 3.14Å; Y18-E20 PolarHBondContact O-N 2.77Å; E20-K25 HydrophobicContact CG-CB 4.23Å; E20-K25 HydrophobicContact CG-CD 4.35Å; E20-K25 HydrophobicContact CG-CG 4.35Å
21K84.3Confident92.1Very high89 Ų8964 Ų6439%0.38732%0.321SS..SBendtrans-71.1-46.8-175.4-71.3179.7172-178.80111.6Y18 A19 E32 D35 E39Y18-K21 HydrophobicContact CD1-CD 4.32Å; Y18-K21 WeakPolarHBondContact O-CB 3.23Å; Y18-K21 WeakPolarHBondContact O-CG 3.46Å; Y18-K21 PolarHBondContact O-N 3.32Å; A19-K21 PolarHBondContact O-N 3.27Å; K21-E32 HydrophobicContact CB-CG 4.3Å; K21-D35 IonicContact NZ-OD2 3.03Å; K21-D35 PolarHBondContact NZ-OD2 2.77Å; K21-E39 IonicContact NZ-OE1 3.67Å
22E80.8Confident92Very high115 Ų11562.2 Ų62.254%0.53731%0.312SS..SBendtrans-151.1115.5-172.3-65.9-170.717200114.5K29 E32E22-K29 WeakPolarHBondContact O-CD 3.25Å; E22-K29 VanDerWaalsContact O-CE 3.29Å; E22-K29 WeakPolarHBondContact O-CE 3.33Å; E22-K29 PolarHBondContact O-NZ 2.89Å; E22-E32 WeakPolarHBondContact CA-OE1 3.39Å; E22-E32 PolarHBondContact N-OE1 2.78Å
23G79.3Confident91.9Very high61 Ų6157.9 Ų57.963%0.62929%0.29SS*.SBendtrans97.3-128.8170.800000113.3
24D86Confident91.7Very high78 Ų7855.1 Ų55.142%0.41728%0.276SS..  trans-76.8122.5177.5-166.5-30.1000110.1H26 K27D24-H26 PolarHBondContact O-N 3.21Å; D24-H26 VanDerWaalsContact O-N 3.1Å; D24-H26 WeakPolarHBondContact OD1-CB 3.34Å; D24-H26 IonicContact OD1-CD2 3.86Å; D24-H26 IonicContact OD1-CG 2.59Å; D24-H26 PolarHBondContact OD1-N 2.91Å; D24-K27 HydrophobicContact CB-CB 4.44Å; D24-K27 PolarHBondContact O-N 3.1Å
25K89.1Confident91.5Very high120 Ų12057 Ų5752%0.52229%0.285SS..THydrogen-bonded Turntrans-70.5-5.9-177.5-60.2-173.4174.7-1630114.1E20E20-K25 HydrophobicContact CG-CB 4.23Å; E20-K25 HydrophobicContact CG-CD 4.35Å; E20-K25 HydrophobicContact CG-CG 4.35Å
26H92.3Very high91.5Very high128 Ų12857 Ų5759%0.59329%0.285SS*.THydrogen-bonded Turntrans-108.91.5-179.8-59.7-62.7000112.9F15 D24F15-H26 WeakPolarHBondContact CZ-O 3.49Å; D24-H26 PolarHBondContact O-N 3.21Å; D24-H26 VanDerWaalsContact O-N 3.1Å; D24-H26 WeakPolarHBondContact OD1-CB 3.34Å; D24-H26 IonicContact OD1-CD2 3.86Å; D24-H26 IonicContact OD1-CG 2.59Å; D24-H26 PolarHBondContact OD1-N 2.91Å
27K95.4Very high91.3Very high25 Ų2553.9 Ų53.911%0.10927%0.271CS..SBendtrans-133.9152.8178-59.1-161.6164.9-147.40111.3A19 D24 D64 D66 E68 L69 D70A19-K27 VanDerWaalsContact CB-O 3.29Å; A19-K27 WeakPolarHBondContact CB-O 3.47Å; D24-K27 HydrophobicContact CB-CB 4.44Å; D24-K27 PolarHBondContact O-N 3.1Å; K27-D64 IonicContact NZ-OD1 3.29Å; K27-D64 IonicContact NZ-OD2 3.22Å; K27-D64 PolarHBondContact NZ-OD2 3.49Å; K27-D66 WeakPolarHBondContact CD-OD2 3.36Å; K27-D66 WeakPolarHBondContact CE-OD2 3.27Å; K27-D66 IonicContact NZ-OD1 2.62Å; K27-D66 PolarHBondContact NZ-OD1 3.27Å; K27-D66 IonicContact NZ-OD2 2.87Å; K27-D66 PolarHBondContact NZ-OD2 2.98Å; K27-E68 HydrophobicContact CB-CB 3.74Å; K27-E68 HydrophobicContact CD-CB 3.82Å; K27-E68 HydrophobicContact CG-CB 4.44Å; K27-L69 CarbonylContact C-O 3.51Å; K27-L69 WeakPolarHBondContact CA-O 3.35Å; K27-D70 HydrophobicContact CD-CB 4.47Å; K27-D70 HydrophobicContact CG-CB 4.24Å
28L95.9Very high91.1Very high0 Ų052.1 Ų52.10%027%0.266CS..EExtended strand (participates in β ladder)trans-100.9125.8174.1-70.9168.9000110F15 A19 E32 L36 E68 L69 F74F15-L28 HydrophobicContact CD2-CD1 3.56Å; F15-L28 HydrophobicContact CD2-CG 3.94Å; F15-L28 HydrophobicContact CE2-CD1 3.6Å; F15-L28 HydrophobicContact CE2-CG 3.64Å; F15-L28 HydrophobicContact CZ-CG 4.4Å; A19-L28 HydrophobicContact CB-CD2 3.93Å; A19-L28 HydrophobicContact CB-CG 4.33Å; A19-L28 VanDerWaalsContact N-CD2 3.34Å; L28-E32 WeakPolarHBondContact CA-OE2 3.38Å; L28-E32 HydrophobicContact CD2-CB 3.85Å; L28-L36 HydrophobicContact CD1-CD1 4.2Å; L28-E68 CarbonylContact O-C 3.57Å; L28-E68 WeakPolarHBondContact O-CA 3.43Å; L28-L69 HydrophobicContact CB-CB 4.29Å; L28-L69 PolarHBondContact N-O 3.36Å; L28-L69 PolarHBondContact O-N 3.19Å; L28-F74 HydrophobicContact CD1-CB 4.49Å; L28-F74 HydrophobicContact CD1-CD2 3.64Å; L28-F74 HydrophobicContact CD1-CE2 4.12Å; L28-F74 HydrophobicContact CD1-CG 4.21Å
29K94.4Very high90.9Very high55 Ų5557.2 Ų57.224%0.23929%0.29CS..EExtended strand (participates in β ladder)trans-74.6162.9164.6-72.3174.7-179.1159.50111.1E22 S31 E32 L33 E68E22-K29 WeakPolarHBondContact O-CD 3.25Å; E22-K29 VanDerWaalsContact O-CE 3.29Å; E22-K29 WeakPolarHBondContact O-CE 3.33Å; E22-K29 PolarHBondContact O-NZ 2.89Å; K29-S31 PolarHBondContact O-N 3.26Å; K29-E32 HydrophobicContact CB-CG 4.35Å; K29-E32 PolarHBondContact N-OE2 2.79Å; K29-E32 PolarHBondContact O-N 3.08Å; K29-L33 PolarHBondContact O-N 3.16Å; K29-E68 WeakPolarHBondContact CE-OE1 3.34Å; K29-E68 HydrophobicContact CG-CG 4.1Å; K29-E68 WeakPolarHBondContact CG-OE1 3.23Å
30K92.3Very high90.8Very high38 Ų3860.8 Ų60.817%0.16531%0.307CS..Hα-helixtrans-51.6-41.3172.6-171-177.4-176.4-1730113.4K34 Q51 M54 D55 M58K30-K34 WeakPolarHBondContact O-CB 3.19Å; K30-K34 PolarHBondContact O-N 3.32Å; K30-Q51 VanDerWaalsContact NZ-CD 3.33Å; K30-Q51 PolarHBondContact NZ-O 3.45Å; K30-M54 VanDerWaalsContact CE-C 3.43Å; K30-D55 VanDerWaalsContact NZ-N 3.19Å; K30-D55 IonicContact NZ-OD1 3.57Å; K30-D55 PolarHBondContact NZ-OD1 3.48Å; K30-D55 IonicContact NZ-OD2 3.87Å; K30-D55 PolarHBondContact NZ-OD2 2.94Å; K30-M58 HydrophobicContact CB-SD 4.19Å
31S92Very high90.7Very high57 Ų5757.3 Ų57.340%0.39929%0.292SS..Hα-helixtrans-64.6-42.2177.442.30000112K29 K34 D35K29-S31 PolarHBondContact O-N 3.26Å; S31-K34 WeakPolarHBondContact O-CB 3.47Å; S31-K34 PolarHBondContact O-N 2.85Å; S31-D35 PolarHBondContact O-N 3.19Å
32E94.8Very high90.7Very high3 Ų357.4 Ų57.41%0.01430%0.302CS..Hα-helixtrans-70.8-40.9-179.5-62.8170.8142.100111.7Y18 K21 E22 L28 K29 K34 D35 L36Y18-E32 VanDerWaalsContact O-CD 3.25Å; Y18-E32 VanDerWaalsContact O-OE1 3.08Å; K21-E32 HydrophobicContact CB-CG 4.3Å; E22-E32 WeakPolarHBondContact CA-OE1 3.39Å; E22-E32 PolarHBondContact N-OE1 2.78Å; L28-E32 WeakPolarHBondContact CA-OE2 3.38Å; L28-E32 HydrophobicContact CD2-CB 3.85Å; K29-E32 HydrophobicContact CB-CG 4.35Å; K29-E32 PolarHBondContact N-OE2 2.79Å; K29-E32 PolarHBondContact O-N 3.08Å; E32-K34 VanDerWaalsContact C-N 3.29Å; E32-K34 PolarHBondContact O-N 3.45Å; E32-D35 PolarHBondContact O-N 2.91Å; E32-L36 WeakPolarHBondContact O-CB 3.29Å; E32-L36 PolarHBondContact O-N 3.34Å
33L93.3Very high90.7Very high0 Ų056.3 Ų56.30%031%0.313CS..Hα-helixtrans-59.3-42.4171.4178.364.9000111.2K29 L36 I37 M54 L57 M58 L61 L69 F77K29-L33 PolarHBondContact O-N 3.16Å; L33-L36 WeakPolarHBondContact O-CB 3.45Å; L33-L36 PolarHBondContact O-N 3.04Å; L33-I37 HydrophobicContact CD1-CD1 4.12Å; L33-I37 HydrophobicContact CD1-CG1 4.34Å; L33-I37 HydrophobicContact CG-CD1 3.96Å; L33-I37 WeakPolarHBondContact O-CG1 3.46Å; L33-I37 PolarHBondContact O-N 3.3Å; L33-M54 HydrophobicContact CD2-CE 4.42Å; L33-L57 HydrophobicContact CD2-CD2 4.33Å; L33-M58 HydrophobicContact CD2-SD 4.2Å; L33-L61 HydrophobicContact CD2-CD1 4.48Å; L33-L69 HydrophobicContact CD1-CD1 4.47Å; L33-L69 HydrophobicContact CD2-CD1 3.79Å; L33-F77 HydrophobicContact CD1-CD1 4.41Å; L33-F77 HydrophobicContact CD1-CE1 4.38Å
34K91.5Very high90.6Very high75 Ų7554.4 Ų54.433%0.32629%0.288SS..Hα-helixtrans-62.3-44.6177.6-178.3176.9-178.71770111.5K30 S31 E32 I37 N38 M54K30-K34 WeakPolarHBondContact O-CB 3.19Å; K30-K34 PolarHBondContact O-N 3.32Å; S31-K34 WeakPolarHBondContact O-CB 3.47Å; S31-K34 PolarHBondContact O-N 2.85Å; E32-K34 VanDerWaalsContact C-N 3.29Å; E32-K34 PolarHBondContact O-N 3.45Å; K34-I37 PolarHBondContact O-N 2.94Å; K34-N38 WeakPolarHBondContact O-CB 3.29Å; K34-N38 PolarHBondContact O-N 2.88Å; K34-N38 PolarHBondContact O-ND2 3.02Å; K34-M54 HydrophobicContact CB-SD 4.01Å; K34-M54 HydrophobicContact CG-SD 4.09Å
35D92.9Very high90.2Very high64 Ų6452.2 Ų52.234%0.34228%0.277SS..Hα-helixtrans-60.7-46174.8-76.8-0.5000111.3Y18 K21 S31 E32 I37 N38 E39Y18-D35 HydrophobicContact CD1-CB 4.01Å; Y18-D35 HydrophobicContact CE1-CB 3.97Å; K21-D35 IonicContact NZ-OD2 3.03Å; K21-D35 PolarHBondContact NZ-OD2 2.77Å; S31-D35 PolarHBondContact O-N 3.19Å; E32-D35 PolarHBondContact O-N 2.91Å; D35-I37 PolarHBondContact O-N 3.42Å; D35-N38 PolarHBondContact O-N 3.42Å; D35-E39 WeakPolarHBondContact O-CB 3.39Å; D35-E39 WeakPolarHBondContact O-CG 3.35Å; D35-E39 PolarHBondContact O-N 2.95Å
36L94.4Very high89.4Confident2 Ų248.5 Ų48.51%0.0127%0.273CS..Hα-helixtrans-56.8-48.8178-176.2159.6000111.4V14 Y18 L28 E32 L33 N38 E39 E40 L41 F74 F77V14-L36 HydrophobicContact CG1-CD1 3.92Å; V14-L36 HydrophobicContact CG1-CG 4.16Å; Y18-L36 HydrophobicContact CD1-CB 3.89Å; Y18-L36 HydrophobicContact CD2-CB 3.89Å; Y18-L36 HydrophobicContact CD2-CD1 3.77Å; Y18-L36 HydrophobicContact CD2-CG 3.84Å; Y18-L36 HydrophobicContact CE1-CB 4.13Å; Y18-L36 HydrophobicContact CE2-CB 4.14Å; Y18-L36 HydrophobicContact CE2-CD1 4.42Å; Y18-L36 HydrophobicContact CE2-CG 4.04Å; Y18-L36 HydrophobicContact CG-CB 3.8Å; Y18-L36 HydrophobicContact CG-CD1 4.14Å; Y18-L36 HydrophobicContact CG-CG 4.24Å; L28-L36 HydrophobicContact CD1-CD1 4.2Å; E32-L36 WeakPolarHBondContact O-CB 3.29Å; E32-L36 PolarHBondContact O-N 3.34Å; L33-L36 WeakPolarHBondContact O-CB 3.45Å; L33-L36 PolarHBondContact O-N 3.04Å; L36-N38 VanDerWaalsContact C-N 3.32Å; L36-N38 PolarHBondContact O-N 2.94Å; L36-E39 PolarHBondContact O-N 2.8Å; L36-E40 HydrophobicContact CG-CG 4.36Å; L36-E40 WeakPolarHBondContact O-CB 3.46Å; L36-E40 PolarHBondContact O-N 3.02Å; L36-L41 HydrophobicContact CD2-CD1 4.23Å; L36-F74 HydrophobicContact CD1-CE2 3.59Å; L36-F74 HydrophobicContact CD1-CZ 3.98Å; L36-F74 HydrophobicContact CD2-CE2 4.25Å; L36-F77 HydrophobicContact CD2-CE1 4.43Å
37I91.6Very high88.4Confident2 Ų248.5 Ų48.51%0.0127%0.274CS..Hα-helixtrans-61.2-44.2178.6-68.1168000110.4L33 K34 D35 E39 L41 L44 T45 V48 M54 L57 F77L33-I37 HydrophobicContact CD1-CD1 4.12Å; L33-I37 HydrophobicContact CD1-CG1 4.34Å; L33-I37 HydrophobicContact CG-CD1 3.96Å; L33-I37 WeakPolarHBondContact O-CG1 3.46Å; L33-I37 PolarHBondContact O-N 3.3Å; K34-I37 PolarHBondContact O-N 2.94Å; D35-I37 PolarHBondContact O-N 3.42Å; I37-E39 PolarHBondContact O-N 2.99Å; I37-L41 CarbonylContact O-C 3.1Å; I37-L41 WeakPolarHBondContact O-CA 3.48Å; I37-L41 PolarHBondContact O-N 3.35Å; I37-L41 VanDerWaalsContact O-N 3.11Å; I37-L44 HydrophobicContact CG2-CB 4.35Å; I37-T45 PolarHBondContact O-OG1 3.22Å; I37-V48 HydrophobicContact CD1-CG1 4.36Å; I37-V48 HydrophobicContact CG2-CB 4.44Å; I37-V48 HydrophobicContact CG2-CG2 4.46Å; I37-M54 HydrophobicContact CD1-CE 3.86Å; I37-M54 HydrophobicContact CD1-SD 4.48Å; I37-L57 HydrophobicContact CD1-CD2 4Å; I37-F77 HydrophobicContact CD1-CE2 4.4Å; I37-F77 HydrophobicContact CD1-CZ 3.99Å; I37-F77 HydrophobicContact CG1-CE1 4.29Å; I37-F77 HydrophobicContact CG1-CZ 3.81Å
38N90.1Very high87.4Confident65 Ų6548.2 Ų48.235%0.34827%0.274SS..Hα-helixtrans-65.1-39.9-178.2-71.7-35.8000113.3K34 D35 L36 T45K34-N38 WeakPolarHBondContact O-CB 3.29Å; K34-N38 PolarHBondContact O-N 2.88Å; K34-N38 PolarHBondContact O-ND2 3.02Å; D35-N38 PolarHBondContact O-N 3.42Å; L36-N38 VanDerWaalsContact C-N 3.32Å; L36-N38 PolarHBondContact O-N 2.94Å; N38-T45 WeakPolarHBondContact CA-OG1 3.49Å; N38-T45 WeakPolarHBondContact OD1-CG2 3.46Å
39E92.1Very high86.3Confident108 Ų10855.7 Ų55.751%0.50531%0.306SS..Hα-helixtrans-88.9-45.3-173.7-70.7-176.3-132.500112.8Y18 K21 D35 L36 I37Y18-E39 WeakPolarHBondContact OH-CB 3.45Å; Y18-E39 PolarHBondContact OH-OE2 3.22Å; K21-E39 IonicContact NZ-OE1 3.67Å; D35-E39 WeakPolarHBondContact O-CB 3.39Å; D35-E39 WeakPolarHBondContact O-CG 3.35Å; D35-E39 PolarHBondContact O-N 2.95Å; L36-E39 PolarHBondContact O-N 2.8Å; I37-E39 PolarHBondContact O-N 2.99Å
40E92.7Very high85.9Confident74 Ų7456.6 Ų56.635%0.34631%0.314SS..Hα-helixtrans-95.6-25.3-172.3-50.7-64.7164.800112.6V14 K17 Y18 L36 P42V14-E40 HydrophobicContact CG1-CG 4Å; K17-E40 IonicContact NZ-OE1 2.76Å; K17-E40 PolarHBondContact NZ-OE1 3.34Å; Y18-E40 HydrophobicContact CE2-CG 3.66Å; Y18-E40 WeakPolarHBondContact CE2-OE1 3.41Å; Y18-E40 WeakPolarHBondContact OH-CG 3.37Å; Y18-E40 PolarHBondContact OH-OE1 3.02Å; L36-E40 HydrophobicContact CG-CG 4.36Å; L36-E40 WeakPolarHBondContact O-CB 3.46Å; L36-E40 PolarHBondContact O-N 3.02Å; E40-P42 WeakPolarHBondContact O-CD 3.44Å
41L89Confident85.6Confident44 Ų4460 Ų6023%0.2333%0.33CS..  trans-126.756.2-174.3-59171.1000112.5L36 I37 A43 L44 T45 F77L36-L41 HydrophobicContact CD2-CD1 4.23Å; I37-L41 CarbonylContact O-C 3.1Å; I37-L41 WeakPolarHBondContact O-CA 3.48Å; I37-L41 PolarHBondContact O-N 3.35Å; I37-L41 VanDerWaalsContact O-N 3.11Å; L41-A43 PolarHBondContact O-N 3.24Å; L41-L44 HydrophobicContact CB-CB 4.29Å; L41-L44 HydrophobicContact CB-CD1 4.04Å; L41-L44 HydrophobicContact CB-CG 4.34Å; L41-L44 HydrophobicContact CD1-CD1 3.93Å; L41-L44 HydrophobicContact CG-CD1 4.44Å; L41-L44 WeakPolarHBondContact O-CB 3.3Å; L41-L44 PolarHBondContact O-N 2.9Å; L41-T45 PolarHBondContact O-N 3.47Å; L41-T45 PolarHBondContact O-OG1 3.49Å; L41-F77 HydrophobicContact CD1-CE1 3.72Å; L41-F77 HydrophobicContact CD1-CZ 3.85Å
42P84.8Confident85.5Confident91 Ų9160 Ų6059%0.59133%0.334SS*.THydrogen-bonded Turntrans-59.4-25.3-172.824.3-35.3000114.4E40 L44 T45E40-P42 WeakPolarHBondContact O-CD 3.44Å; P42-L44 VanDerWaalsContact C-N 3.32Å; P42-T45 WeakPolarHBondContact CA-OG1 3.41Å; P42-T45 WeakPolarHBondContact O-CB 3.31Å; P42-T45 PolarHBondContact O-N 3.39Å
43A81.6Confident85.2Confident93 Ų9362.5 Ų62.577%0.76935%0.349SS*.THydrogen-bonded Turntrans-66.3-33.6174.400000112.5L41L41-A43 PolarHBondContact O-N 3.24Å
44L76.9Confident85Confident20 Ų2062.6 Ų62.611%0.10535%0.35CS..THydrogen-bonded Turntrans-84-24.2178.1-63-179.3000112.7I37 L41 P42 G46 Q47 V48 F77 V81I37-L44 HydrophobicContact CG2-CB 4.35Å; L41-L44 HydrophobicContact CB-CB 4.29Å; L41-L44 HydrophobicContact CB-CD1 4.04Å; L41-L44 HydrophobicContact CB-CG 4.34Å; L41-L44 HydrophobicContact CD1-CD1 3.93Å; L41-L44 HydrophobicContact CG-CD1 4.44Å; L41-L44 WeakPolarHBondContact O-CB 3.3Å; L41-L44 PolarHBondContact O-N 2.9Å; P42-L44 VanDerWaalsContact C-N 3.32Å; L44-G46 PolarHBondContact O-N 3.16Å; L44-Q47 WeakPolarHBondContact O-CA 3.36Å; L44-Q47 WeakPolarHBondContact O-CB 3.45Å; L44-Q47 PolarHBondContact O-N 3.39Å; L44-V48 WeakPolarHBondContact O-CG2 3.31Å; L44-V48 PolarHBondContact O-N 3.42Å; L44-F77 HydrophobicContact CD1-CZ 4.38Å; L44-V81 HydrophobicContact CD1-CB 4.13Å; L44-V81 HydrophobicContact CD1-CG1 3.67Å; L44-V81 HydrophobicContact CD1-CG2 3.35Å
45T77.8Confident85.1Confident32 Ų3262.7 Ų62.720%0.19635%0.354CS..THydrogen-bonded Turntrans-51.1-29.9175.7-54.80000112.9I37 N38 L41 P42 Q47 K49I37-T45 PolarHBondContact O-OG1 3.22Å; N38-T45 WeakPolarHBondContact CA-OG1 3.49Å; N38-T45 WeakPolarHBondContact OD1-CG2 3.46Å; L41-T45 PolarHBondContact O-N 3.47Å; L41-T45 PolarHBondContact O-OG1 3.49Å; P42-T45 WeakPolarHBondContact CA-OG1 3.41Å; P42-T45 WeakPolarHBondContact O-CB 3.31Å; P42-T45 PolarHBondContact O-N 3.39Å; T45-Q47 VanDerWaalsContact C-N 3.31Å; T45-Q47 PolarHBondContact O-N 2.95Å; T45-K49 WeakPolarHBondContact O-CG 3.34Å
46G72Confident85Confident43 Ų4363 Ų6344%0.44336%0.362SS..THydrogen-bonded Turntrans-60.6-36.1173.400000114.5L44L44-G46 PolarHBondContact O-N 3.16Å
47Q70.9Confident84.9Confident128 Ų12864.5 Ų64.560%0.59837%0.369SS*.THydrogen-bonded Turntrans-88-23.9-176-60.9-173.2-4700112.4L44 T45L44-Q47 WeakPolarHBondContact O-CA 3.36Å; L44-Q47 WeakPolarHBondContact O-CB 3.45Å; L44-Q47 PolarHBondContact O-N 3.39Å; T45-Q47 VanDerWaalsContact C-N 3.31Å; T45-Q47 PolarHBondContact O-N 2.95Å
48V74.8Confident84.9Confident19 Ų1965 Ų6512%0.11537%0.372CS..SBendtrans-113.747.3-171-158.50000111.4I37 L44 T53 M54 L57I37-V48 HydrophobicContact CD1-CG1 4.36Å; I37-V48 HydrophobicContact CG2-CB 4.44Å; I37-V48 HydrophobicContact CG2-CG2 4.46Å; L44-V48 WeakPolarHBondContact O-CG2 3.31Å; L44-V48 PolarHBondContact O-N 3.42Å; V48-T53 HydrophobicContact CG1-CG2 4.37Å; V48-M54 HydrophobicContact CG1-CE 3.12Å; V48-M54 HydrophobicContact CG1-CG 3.7Å; V48-M54 HydrophobicContact CG1-SD 3.37Å; V48-M54 WeakPolarHBondContact CG1-SD 3.4Å; V48-L57 HydrophobicContact CG1-CD2 4.41Å
49K73.1Confident85.1Confident156 Ų15669.3 Ų69.368%0.67839%0.39SS*.  trans-84.2-34.2-170-78.9-176.4167.8159.50114.9T45T45-K49 WeakPolarHBondContact O-CG 3.34Å
50D84.6Confident85.2Confident75 Ų7567.4 Ų67.440%0.40139%0.388SS..SBendtrans-103.9157.2-171.868.2-84.7000112.4A52 T53 M54D50-A52 PolarHBondContact O-N 2.95Å; D50-A52 WeakPolarHBondContact OD2-CB 3.43Å; D50-A52 PolarHBondContact OD2-N 2.95Å; D50-A52 VanDerWaalsContact OD2-N 3.11Å; D50-T53 VanDerWaalsContact CG-OG1 3.25Å; D50-T53 PolarHBondContact O-N 3.14Å; D50-T53 WeakPolarHBondContact OD1-CB 3.5Å; D50-T53 PolarHBondContact OD1-OG1 2.72Å; D50-T53 PolarHBondContact OD2-N 3.24Å; D50-T53 PolarHBondContact OD2-OG1 2.89Å; D50-M54 WeakPolarHBondContact O-CG 3.46Å; D50-M54 PolarHBondContact O-N 2.92Å; D50-M54 VanDerWaalsContact O-N 3.15Å
51Q86.2Confident85.3Confident108 Ų10864 Ų6451%0.50537%0.372SS..Hα-helixtrans-61.4-35.5-176.2-171.568.514.300111.9K30 M54 D55K30-Q51 VanDerWaalsContact NZ-CD 3.33Å; K30-Q51 PolarHBondContact NZ-O 3.45Å; Q51-M54 CarbonylContact O-C 3.44Å; Q51-M54 WeakPolarHBondContact O-CB 3.4Å; Q51-M54 PolarHBondContact O-N 3.3Å; Q51-D55 PolarHBondContact O-N 2.72Å
52A89.5Confident85.6Confident59 Ų5963.1 Ų63.149%0.48837%0.368SS..Hα-helixtrans-73.1-40.4-175.800000111.9D50 M54 D55 S56D50-A52 PolarHBondContact O-N 2.95Å; D50-A52 WeakPolarHBondContact OD2-CB 3.43Å; D50-A52 PolarHBondContact OD2-N 2.95Å; D50-A52 VanDerWaalsContact OD2-N 3.11Å; A52-M54 VanDerWaalsContact C-N 3.25Å; A52-M54 PolarHBondContact O-N 3.44Å; A52-D55 PolarHBondContact O-N 3.43Å; A52-S56 WeakPolarHBondContact O-CB 3.49Å; A52-S56 PolarHBondContact O-N 3.3Å; A52-S56 PolarHBondContact O-OG 3.07Å
53T88.9Confident86Confident54 Ų5464 Ų6433%0.33137%0.372SS..Hα-helixtrans-61.5-38.6170.5-580000110.6V48 D50 S56 L57V48-T53 HydrophobicContact CG1-CG2 4.37Å; D50-T53 VanDerWaalsContact CG-OG1 3.25Å; D50-T53 PolarHBondContact O-N 3.14Å; D50-T53 WeakPolarHBondContact OD1-CB 3.5Å; D50-T53 PolarHBondContact OD1-OG1 2.72Å; D50-T53 PolarHBondContact OD2-N 3.24Å; D50-T53 PolarHBondContact OD2-OG1 2.89Å; T53-S56 PolarHBondContact O-N 3.03Å; T53-L57 WeakPolarHBondContact O-CB 3.33Å; T53-L57 PolarHBondContact O-N 2.95Å
54M90.5Very high86.6Confident2 Ų263.7 Ų63.71%0.0136%0.357CS..Hα-helixtrans-68.9-37.4174.5-69.3-91.853.900113.9K30 L33 K34 I37 V48 D50 Q51 A52 L57 M58K30-M54 VanDerWaalsContact CE-C 3.43Å; L33-M54 HydrophobicContact CD2-CE 4.42Å; K34-M54 HydrophobicContact CB-SD 4.01Å; K34-M54 HydrophobicContact CG-SD 4.09Å; I37-M54 HydrophobicContact CD1-CE 3.86Å; I37-M54 HydrophobicContact CD1-SD 4.48Å; V48-M54 HydrophobicContact CG1-CE 3.12Å; V48-M54 HydrophobicContact CG1-CG 3.7Å; V48-M54 HydrophobicContact CG1-SD 3.37Å; V48-M54 WeakPolarHBondContact CG1-SD 3.4Å; D50-M54 WeakPolarHBondContact O-CG 3.46Å; D50-M54 PolarHBondContact O-N 2.92Å; D50-M54 VanDerWaalsContact O-N 3.15Å; Q51-M54 CarbonylContact O-C 3.44Å; Q51-M54 WeakPolarHBondContact O-CB 3.4Å; Q51-M54 PolarHBondContact O-N 3.3Å; A52-M54 VanDerWaalsContact C-N 3.25Å; A52-M54 PolarHBondContact O-N 3.44Å; M54-L57 HydrophobicContact CE-CB 4.16Å; M54-L57 HydrophobicContact CE-CD2 3.53Å; M54-L57 HydrophobicContact CE-CG 4.39Å; M54-M58 WeakPolarHBondContact O-CB 3.49Å; M54-M58 PolarHBondContact O-N 3.03Å
55D91.9Very high87.3Confident78 Ų7865.4 Ų65.442%0.41738%0.38SS..Hα-helixtrans-62.5-47.1174.1-75.8-47.4000109.9K30 Q51 A52 L57 M58 E59K30-D55 VanDerWaalsContact NZ-N 3.19Å; K30-D55 IonicContact NZ-OD1 3.57Å; K30-D55 PolarHBondContact NZ-OD1 3.48Å; K30-D55 IonicContact NZ-OD2 3.87Å; K30-D55 PolarHBondContact NZ-OD2 2.94Å; Q51-D55 PolarHBondContact O-N 2.72Å; A52-D55 PolarHBondContact O-N 3.43Å; D55-L57 PolarHBondContact O-N 3.32Å; D55-M58 PolarHBondContact O-N 3.24Å; D55-E59 WeakPolarHBondContact O-CB 3.46Å; D55-E59 PolarHBondContact O-N 2.81Å
56S91.8Very high88.1Confident71 Ų7167.2 Ų67.250%0.49739%0.388SS..Hα-helixtrans-64.5-39.8-179.4-52.70000112A52 T53 S60A52-S56 WeakPolarHBondContact O-CB 3.49Å; A52-S56 PolarHBondContact O-N 3.3Å; A52-S56 PolarHBondContact O-OG 3.07Å; T53-S56 PolarHBondContact O-N 3.03Å; S56-S60 WeakPolarHBondContact O-CB 3.49Å; S56-S60 PolarHBondContact O-N 3.45Å; S56-S60 PolarHBondContact O-OG 3.43Å
57L91.7Very high89.1Confident32 Ų3269.2 Ų69.217%0.16840%0.396CS..Hα-helixtrans-63.3-47.7175-178.764.3000110.7L33 I37 V48 T53 M54 D55 E59 S60 L61 F77L33-L57 HydrophobicContact CD2-CD2 4.33Å; I37-L57 HydrophobicContact CD1-CD2 4Å; V48-L57 HydrophobicContact CG1-CD2 4.41Å; T53-L57 WeakPolarHBondContact O-CB 3.33Å; T53-L57 PolarHBondContact O-N 2.95Å; M54-L57 HydrophobicContact CE-CB 4.16Å; M54-L57 HydrophobicContact CE-CD2 3.53Å; M54-L57 HydrophobicContact CE-CG 4.39Å; D55-L57 PolarHBondContact O-N 3.32Å; L57-E59 PolarHBondContact O-N 2.98Å; L57-S60 PolarHBondContact O-N 3.14Å; L57-S60 PolarHBondContact O-OG 3.49Å; L57-L61 HydrophobicContact CD1-CD1 3.83Å; L57-L61 HydrophobicContact CD1-CG 4.19Å; L57-L61 HydrophobicContact CD2-CD1 4.48Å; L57-L61 HydrophobicContact CG-CD1 3.8Å; L57-L61 HydrophobicContact CG-CG 4.49Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.46Å; L57-L61 PolarHBondContact O-N 3.31Å; L57-L61 VanDerWaalsContact O-N 3.13Å; L57-F77 HydrophobicContact CD1-CD2 4.4Å; L57-F77 HydrophobicContact CD2-CD2 4.41Å; L57-F77 HydrophobicContact CD2-CE2 4.14Å
58M92.8Very high90.2Very high13 Ų1365 Ų656%0.06438%0.376CS..Hα-helixtrans-58.3-50.2178.2-166.176.8-176.400110.8K30 L33 M54 D55 S60 L61 D62 S67 E68 L69K30-M58 HydrophobicContact CB-SD 4.19Å; L33-M58 HydrophobicContact CD2-SD 4.2Å; M54-M58 WeakPolarHBondContact O-CB 3.49Å; M54-M58 PolarHBondContact O-N 3.03Å; D55-M58 PolarHBondContact O-N 3.24Å; M58-S60 PolarHBondContact O-N 3.22Å; M58-L61 PolarHBondContact O-N 3.12Å; M58-D62 VanDerWaalsContact O-CB 3.24Å; M58-D62 WeakPolarHBondContact O-CB 3.17Å; M58-D62 PolarHBondContact O-N 2.89Å; M58-S67 VanDerWaalsContact CE-O 3.23Å; M58-S67 WeakPolarHBondContact CE-O 3.23Å; M58-E68 VanDerWaalsContact CE-CA 3.49Å; M58-L69 HydrophobicContact CE-CD1 4.48Å; M58-L69 HydrophobicContact CE-CD2 3.9Å; M58-L69 HydrophobicContact CE-CG 3.62Å; M58-L69 HydrophobicContact SD-CD1 4.04Å; M58-L69 HydrophobicContact SD-CD2 4.08Å; M58-L69 HydrophobicContact SD-CG 3.8Å
59E93.8Very high91.2Very high156 Ų15664 Ų6473%0.72937%0.37SS*.Hα-helixtrans-61.7-29.5178.8-170.4176.8-159.200112.7D55 L57D55-E59 WeakPolarHBondContact O-CB 3.46Å; D55-E59 PolarHBondContact O-N 2.81Å; L57-E59 PolarHBondContact O-N 2.98Å
60S93.5Very high92.3Very high68 Ų6858.8 Ų58.848%0.47635%0.349SS..Hα-helixtrans-76.8-24.7176.274.20000114.2S56 L57 M58S56-S60 WeakPolarHBondContact O-CB 3.49Å; S56-S60 PolarHBondContact O-N 3.45Å; S56-S60 PolarHBondContact O-OG 3.43Å; L57-S60 PolarHBondContact O-N 3.14Å; L57-S60 PolarHBondContact O-OG 3.49Å; M58-S60 PolarHBondContact O-N 3.22Å
61L94.8Very high92.9Very high2 Ų258.7 Ų58.71%0.0135%0.345CS..Hα-helixtrans-98.1-34.6-176.4-66.4172.2000112.2L33 L57 M58 T63 L69 E73 T76 F77 M80L33-L61 HydrophobicContact CD2-CD1 4.48Å; L57-L61 HydrophobicContact CD1-CD1 3.83Å; L57-L61 HydrophobicContact CD1-CG 4.19Å; L57-L61 HydrophobicContact CD2-CD1 4.48Å; L57-L61 HydrophobicContact CG-CD1 3.8Å; L57-L61 HydrophobicContact CG-CG 4.49Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.46Å; L57-L61 PolarHBondContact O-N 3.31Å; L57-L61 VanDerWaalsContact O-N 3.13Å; M58-L61 PolarHBondContact O-N 3.12Å; L61-T63 PolarHBondContact O-N 3.09Å; L61-L69 HydrophobicContact CB-CD1 4.01Å; L61-L69 HydrophobicContact CB-CD2 3.59Å; L61-L69 HydrophobicContact CB-CG 4.48Å; L61-L69 HydrophobicContact CD1-CD1 3.78Å; L61-E73 WeakPolarHBondContact O-CB 3.1Å; L61-E73 VanDerWaalsContact O-CG 3.31Å; L61-E73 WeakPolarHBondContact O-CG 3.21Å; L61-T76 HydrophobicContact CD2-CG2 4.17Å; L61-F77 HydrophobicContact CD1-CB 3.77Å; L61-F77 HydrophobicContact CD1-CD2 4.16Å; L61-F77 HydrophobicContact CD1-CG 4.21Å; L61-F77 HydrophobicContact CD2-CB 3.88Å; L61-F77 HydrophobicContact CG-CB 4.5Å; L61-M80 HydrophobicContact CD2-CE 4.35Å; L61-M80 HydrophobicContact CD2-SD 4.09Å
62D95.3Very high93.3Very high26 Ų2660.2 Ų60.214%0.13935%0.353CS..  trans-72.789.8177.6176.915000109.9M58 G65 D66 S67 L69M58-D62 VanDerWaalsContact O-CB 3.24Å; M58-D62 WeakPolarHBondContact O-CB 3.17Å; M58-D62 PolarHBondContact O-N 2.89Å; D62-G65 WeakPolarHBondContact OD1-CA 3.43Å; D62-G65 PolarHBondContact OD1-N 3.36Å; D62-D66 PolarHBondContact OD1-N 3.3Å; D62-D66 VanDerWaalsContact OD1-N 3.16Å; D62-D66 PolarHBondContact OD2-N 3.49Å; D62-S67 WeakPolarHBondContact OD2-CA 3.47Å; D62-S67 PolarHBondContact OD2-N 2.91Å; D62-L69 HydrophobicContact CB-CD2 3.96Å
63T93.6Very high93.7Very high109 Ų10957.5 Ų57.567%0.66933%0.33SS*.SBendtrans-87-26.1-176.956.40000112.9L61 E73L61-T63 PolarHBondContact O-N 3.09Å; T63-E73 PolarHBondContact N-OE1 2.96Å; T63-E73 PolarHBondContact OG1-OE1 3.38Å
64D93.9Very high94Very high87 Ų8755 Ų5547%0.46531%0.314SS..SBendtrans-86-15.717780.513.3000113.2K27 D66 E73K27-D64 IonicContact NZ-OD1 3.29Å; K27-D64 IonicContact NZ-OD2 3.22Å; K27-D64 PolarHBondContact NZ-OD2 3.49Å; D64-D66 VanDerWaalsContact OD1-CB 3.3Å; D64-D66 WeakPolarHBondContact OD1-CB 3.36Å; D64-D66 VanDerWaalsContact OD1-CG 3.26Å; D64-D66 PolarHBondContact OD1-N 3.27Å; D64-E73 PolarHBondContact N-OE1 3.02Å
65G92.6Very high94.3Very high56 Ų5657.5 Ų57.558%0.57733%0.327SS*.SBendtrans80.522.3172.400000113.7D62D62-G65 WeakPolarHBondContact OD1-CA 3.43Å; D62-G65 PolarHBondContact OD1-N 3.36Å
66D93.7Very high94.4Very high69 Ų6956.8 Ų56.837%0.36933%0.325SS..SBendtrans-92.42.6-178.490.9-18.6000114.7K27 D62 D64 E68K27-D66 WeakPolarHBondContact CD-OD2 3.36Å; K27-D66 WeakPolarHBondContact CE-OD2 3.27Å; K27-D66 IonicContact NZ-OD1 2.62Å; K27-D66 PolarHBondContact NZ-OD1 3.27Å; K27-D66 IonicContact NZ-OD2 2.87Å; K27-D66 PolarHBondContact NZ-OD2 2.98Å; D62-D66 PolarHBondContact OD1-N 3.3Å; D62-D66 VanDerWaalsContact OD1-N 3.16Å; D62-D66 PolarHBondContact OD2-N 3.49Å; D64-D66 VanDerWaalsContact OD1-CB 3.3Å; D64-D66 WeakPolarHBondContact OD1-CB 3.36Å; D64-D66 VanDerWaalsContact OD1-CG 3.26Å; D64-D66 PolarHBondContact OD1-N 3.27Å; D66-E68 PolarHBondContact O-N 3.19Å; D66-E68 WeakPolarHBondContact OD1-CA 3.29Å; D66-E68 PolarHBondContact OD1-N 2.91Å; D66-E68 VanDerWaalsContact OD1-O 3.09Å
67S92.3Very high94.5Very high86 Ų8653.9 Ų53.960%0.60130%0.304SS*.SBendtrans65.218.1179.6-51.40000114.6M58 D62M58-S67 VanDerWaalsContact CE-O 3.23Å; M58-S67 WeakPolarHBondContact CE-O 3.23Å; D62-S67 WeakPolarHBondContact OD2-CA 3.47Å; D62-S67 PolarHBondContact OD2-N 2.91Å
68E94.8Very high94.6Very high38 Ų3853.7 Ų53.718%0.17830%0.303CS..EExtended strand (participates in β ladder)trans-128.2164.4168.5-56.2-171.8147.700108.6K27 L28 K29 M58 D66K27-E68 HydrophobicContact CB-CB 3.74Å; K27-E68 HydrophobicContact CD-CB 3.82Å; K27-E68 HydrophobicContact CG-CB 4.44Å; L28-E68 CarbonylContact O-C 3.57Å; L28-E68 WeakPolarHBondContact O-CA 3.43Å; K29-E68 WeakPolarHBondContact CE-OE1 3.34Å; K29-E68 HydrophobicContact CG-CG 4.1Å; K29-E68 WeakPolarHBondContact CG-OE1 3.23Å; M58-E68 VanDerWaalsContact CE-CA 3.49Å; D66-E68 PolarHBondContact O-N 3.19Å; D66-E68 WeakPolarHBondContact OD1-CA 3.29Å; D66-E68 PolarHBondContact OD1-N 2.91Å; D66-E68 VanDerWaalsContact OD1-O 3.09Å
69L96.3Very high94.6Very high0 Ų056.9 Ų56.90%032%0.323CS..EExtended strand (participates in β ladder)trans-113.1116.6177.5-58.3-177.3000110.3K27 L28 L33 M58 L61 D62 E73K27-L69 CarbonylContact C-O 3.51Å; K27-L69 WeakPolarHBondContact CA-O 3.35Å; L28-L69 HydrophobicContact CB-CB 4.29Å; L28-L69 PolarHBondContact N-O 3.36Å; L28-L69 PolarHBondContact O-N 3.19Å; L33-L69 HydrophobicContact CD1-CD1 4.47Å; L33-L69 HydrophobicContact CD2-CD1 3.79Å; M58-L69 HydrophobicContact CE-CD1 4.48Å; M58-L69 HydrophobicContact CE-CD2 3.9Å; M58-L69 HydrophobicContact CE-CG 3.62Å; M58-L69 HydrophobicContact SD-CD1 4.04Å; M58-L69 HydrophobicContact SD-CD2 4.08Å; M58-L69 HydrophobicContact SD-CG 3.8Å; L61-L69 HydrophobicContact CB-CD1 4.01Å; L61-L69 HydrophobicContact CB-CD2 3.59Å; L61-L69 HydrophobicContact CB-CG 4.48Å; L61-L69 HydrophobicContact CD1-CD1 3.78Å; D62-L69 HydrophobicContact CB-CD2 3.96Å; L69-E73 WeakPolarHBondContact CA-OE2 3.36Å; L69-E73 HydrophobicContact CB-CB 4.19Å; L69-E73 HydrophobicContact CD2-CB 4.12Å
70D96.4Very high94.4Very high46 Ų4654 Ų5425%0.24631%0.311CS..  trans-71.3176.9169.280.219000112K27 Q72 E73 F74K27-D70 HydrophobicContact CD-CB 4.47Å; K27-D70 HydrophobicContact CG-CB 4.24Å; D70-Q72 VanDerWaalsContact C-N 3.26Å; D70-Q72 PolarHBondContact O-N 3.43Å; D70-Q72 WeakPolarHBondContact OD1-CA 3.36Å; D70-Q72 VanDerWaalsContact OD1-CB 3.25Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.42Å; D70-Q72 PolarHBondContact OD1-N 3.32Å; D70-E73 PolarHBondContact N-OE2 2.73Å; D70-E73 PolarHBondContact O-N 3.18Å; D70-E73 PolarHBondContact OD1-N 3.17Å; D70-F74 WeakPolarHBondContact O-CB 3.43Å; D70-F74 PolarHBondContact O-N 3.07Å
71F95.7Very high94.2Very high72 Ų7251.6 Ų51.632%0.31629%0.293SS..Hα-helixtrans-62.7-32.7-178.9-173.1-109.5000113.1M12 F15 F74 M75M12-F71 HydrophobicContact CG-CE2 4.13Å; M12-F71 HydrophobicContact CG-CZ 3.7Å; F15-F71 HydrophobicContact CB-CD2 4.04Å; F15-F71 HydrophobicContact CB-CE2 4.06Å; F15-F71 AromaticContact CD1-CD2 3.67Å; F15-F71 HydrophobicContact CD1-CD2 3.67Å; F15-F71 HydrophobicContact CD1-CE2 4.43Å; F15-F71 AromaticContact CD2-CD2 4Å; F15-F71 HydrophobicContact CD2-CD2 4Å; F15-F71 HydrophobicContact CE1-CB 4.08Å; F15-F71 HydrophobicContact CE1-CD2 4.08Å; F15-F71 HydrophobicContact CE2-CD2 4.36Å; F15-F71 AromaticContact CG-CD2 3.62Å; F15-F71 HydrophobicContact CG-CD2 3.62Å; F15-F71 HydrophobicContact CG-CE2 4.16Å; F15-F71 HydrophobicContact CZ-CB 4.07Å; F15-F71 HydrophobicContact CZ-CD2 4.4Å; F71-F74 HydrophobicContact CD2-CD1 4.21Å; F71-F74 HydrophobicContact CE2-CD1 4.17Å; F71-M75 HydrophobicContact CD1-CG 4.21Å; F71-M75 HydrophobicContact CE1-CG 3.8Å; F71-M75 HydrophobicContact CE1-SD 4.31Å; F71-M75 HydrophobicContact CE2-CG 4.39Å; F71-M75 HydrophobicContact CE2-SD 4.39Å; F71-M75 HydrophobicContact CZ-CG 3.89Å; F71-M75 HydrophobicContact CZ-SD 3.87Å; F71-M75 VanDerWaalsContact O-CG 3.31Å; F71-M75 WeakPolarHBondContact O-CG 3.35Å; F71-M75 PolarHBondContact O-N 2.88Å
72Q96Very high94Very high140 Ų14055.6 Ų55.665%0.65432%0.318SS*.Hα-helixtrans-70-42.9178.9-173.5-176.1-8700110.9D70 M75 T76D70-Q72 VanDerWaalsContact C-N 3.26Å; D70-Q72 PolarHBondContact O-N 3.43Å; D70-Q72 WeakPolarHBondContact OD1-CA 3.36Å; D70-Q72 VanDerWaalsContact OD1-CB 3.25Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.42Å; D70-Q72 PolarHBondContact OD1-N 3.32Å; Q72-M75 PolarHBondContact O-N 2.85Å; Q72-T76 PolarHBondContact O-N 3.29Å; Q72-T76 VanDerWaalsContact O-N 3.14Å; Q72-T76 PolarHBondContact O-OG1 2.66Å
73E96.8Very high93.6Very high2 Ų258 Ų581%0.00933%0.333CS..Hα-helixtrans-65.6-40.7176.3-66.5170.8145.300110.9L61 T63 D64 L69 D70 M75 T76 F77L61-E73 WeakPolarHBondContact O-CB 3.1Å; L61-E73 VanDerWaalsContact O-CG 3.31Å; L61-E73 WeakPolarHBondContact O-CG 3.21Å; T63-E73 PolarHBondContact N-OE1 2.96Å; T63-E73 PolarHBondContact OG1-OE1 3.38Å; D64-E73 PolarHBondContact N-OE1 3.02Å; L69-E73 WeakPolarHBondContact CA-OE2 3.36Å; L69-E73 HydrophobicContact CB-CB 4.19Å; L69-E73 HydrophobicContact CD2-CB 4.12Å; D70-E73 PolarHBondContact N-OE2 2.73Å; D70-E73 PolarHBondContact O-N 3.18Å; D70-E73 PolarHBondContact OD1-N 3.17Å; E73-M75 PolarHBondContact O-N 3.36Å; E73-T76 VanDerWaalsContact O-CB 3.27Å; E73-T76 WeakPolarHBondContact O-CB 3.48Å; E73-T76 PolarHBondContact O-N 3.37Å; E73-T76 VanDerWaalsContact O-N 3.16Å; E73-F77 PolarHBondContact O-N 3.29Å
74F95.9Very high93.1Very high2 Ų255.3 Ų55.31%0.00932%0.318CS..Hα-helixtrans-61-40.6170.8175.1-106.7000113.2I11 F15 L28 L36 D70 F71 T76 F77 I78I11-F74 HydrophobicContact CG2-CE1 3.87Å; F15-F74 HydrophobicContact CB-CD1 4.04Å; F15-F74 HydrophobicContact CB-CE1 3.84Å; F15-F74 HydrophobicContact CB-CZ 4.43Å; F15-F74 HydrophobicContact CD2-CB 3.73Å; F15-F74 AromaticContact CD2-CD1 3.48Å; F15-F74 HydrophobicContact CD2-CD1 3.48Å; F15-F74 VanDerWaalsContact CD2-CD1 3.48Å; F15-F74 HydrophobicContact CD2-CD2 4.08Å; F15-F74 HydrophobicContact CD2-CE1 4.03Å; F15-F74 AromaticContact CD2-CG 3.48Å; F15-F74 HydrophobicContact CD2-CG 3.48Å; F15-F74 VanDerWaalsContact CD2-CG 3.48Å; F15-F74 HydrophobicContact CE2-CB 3.69Å; F15-F74 HydrophobicContact CE2-CD1 4.3Å; F15-F74 AromaticContact CE2-CG 3.98Å; F15-F74 HydrophobicContact CE2-CG 3.98Å; F15-F74 HydrophobicContact CG-CD1 4.1Å; F15-F74 HydrophobicContact CG-CE1 4.38Å; L28-F74 HydrophobicContact CD1-CB 4.49Å; L28-F74 HydrophobicContact CD1-CD2 3.64Å; L28-F74 HydrophobicContact CD1-CE2 4.12Å; L28-F74 HydrophobicContact CD1-CG 4.21Å; L36-F74 HydrophobicContact CD1-CE2 3.59Å; L36-F74 HydrophobicContact CD1-CZ 3.98Å; L36-F74 HydrophobicContact CD2-CE2 4.25Å; D70-F74 WeakPolarHBondContact O-CB 3.43Å; D70-F74 PolarHBondContact O-N 3.07Å; F71-F74 HydrophobicContact CD2-CD1 4.21Å; F71-F74 HydrophobicContact CE2-CD1 4.17Å; F74-T76 PolarHBondContact O-N 2.93Å; F74-F77 HydrophobicContact CD2-CD1 4.29Å; F74-F77 HydrophobicContact CE2-CD1 4.15Å; F74-F77 WeakPolarHBondContact O-CA 3.44Å; F74-F77 VanDerWaalsContact O-CB 3.3Å; F74-F77 WeakPolarHBondContact O-CB 3.35Å; F74-F77 PolarHBondContact O-N 3.11Å; F74-F77 VanDerWaalsContact O-N 3.08Å; F74-I78 HydrophobicContact CD1-CG1 4.19Å; F74-I78 HydrophobicContact CE1-CD1 4.12Å; F74-I78 HydrophobicContact CE1-CG1 3.71Å; F74-I78 HydrophobicContact CE2-CD1 4.04Å; F74-I78 HydrophobicContact CE2-CG1 4.19Å; F74-I78 HydrophobicContact CZ-CD1 3.62Å; F74-I78 HydrophobicContact CZ-CG1 3.72Å; F74-I78 PolarHBondContact O-N 3.47Å
75M96.1Very high92.5Very high55 Ų5554.1 Ų54.127%0.27132%0.316SS..Hα-helixtrans-64.7-28.7176-78-57.6-55.100112.7I11 F71 Q72 E73 I78 T79I11-M75 HydrophobicContact CG2-SD 3.73Å; F71-M75 HydrophobicContact CD1-CG 4.21Å; F71-M75 HydrophobicContact CE1-CG 3.8Å; F71-M75 HydrophobicContact CE1-SD 4.31Å; F71-M75 HydrophobicContact CE2-CG 4.39Å; F71-M75 HydrophobicContact CE2-SD 4.39Å; F71-M75 HydrophobicContact CZ-CG 3.89Å; F71-M75 HydrophobicContact CZ-SD 3.87Å; F71-M75 VanDerWaalsContact O-CG 3.31Å; F71-M75 WeakPolarHBondContact O-CG 3.35Å; F71-M75 PolarHBondContact O-N 2.88Å; Q72-M75 PolarHBondContact O-N 2.85Å; E73-M75 PolarHBondContact O-N 3.36Å; M75-I78 PolarHBondContact O-N 3.17Å; M75-T79 WeakPolarHBondContact O-CB 3.46Å; M75-T79 PolarHBondContact O-N 3.49Å; M75-T79 PolarHBondContact O-OG1 2.93Å
76T94.6Very high92Very high63 Ų6356.4 Ų56.439%0.38731%0.311SS..Hα-helixtrans-63-44.8171.2-59.30000110.4L61 Q72 E73 F74 T79 M80L61-T76 HydrophobicContact CD2-CG2 4.17Å; Q72-T76 PolarHBondContact O-N 3.29Å; Q72-T76 VanDerWaalsContact O-N 3.14Å; Q72-T76 PolarHBondContact O-OG1 2.66Å; E73-T76 VanDerWaalsContact O-CB 3.27Å; E73-T76 WeakPolarHBondContact O-CB 3.48Å; E73-T76 PolarHBondContact O-N 3.37Å; E73-T76 VanDerWaalsContact O-N 3.16Å; F74-T76 PolarHBondContact O-N 2.93Å; T76-T79 WeakPolarHBondContact O-CB 3.44Å; T76-T79 PolarHBondContact O-N 3.37Å; T76-M80 HydrophobicContact CG2-CE 3.82Å; T76-M80 WeakPolarHBondContact O-CG 3.42Å; T76-M80 PolarHBondContact O-N 2.96Å
77F93.4Very high91.3Very high9 Ų956.7 Ų56.74%0.03931%0.313CS..Hα-helixtrans-59.4-48.3173.2171.4-111.7000112.5L33 L36 I37 L41 L44 L57 L61 E73 F74 T79 M80 V81L33-F77 HydrophobicContact CD1-CD1 4.41Å; L33-F77 HydrophobicContact CD1-CE1 4.38Å; L36-F77 HydrophobicContact CD2-CE1 4.43Å; I37-F77 HydrophobicContact CD1-CE2 4.4Å; I37-F77 HydrophobicContact CD1-CZ 3.99Å; I37-F77 HydrophobicContact CG1-CE1 4.29Å; I37-F77 HydrophobicContact CG1-CZ 3.81Å; L41-F77 HydrophobicContact CD1-CE1 3.72Å; L41-F77 HydrophobicContact CD1-CZ 3.85Å; L44-F77 HydrophobicContact CD1-CZ 4.38Å; L57-F77 HydrophobicContact CD1-CD2 4.4Å; L57-F77 HydrophobicContact CD2-CD2 4.41Å; L57-F77 HydrophobicContact CD2-CE2 4.14Å; L61-F77 HydrophobicContact CD1-CB 3.77Å; L61-F77 HydrophobicContact CD1-CD2 4.16Å; L61-F77 HydrophobicContact CD1-CG 4.21Å; L61-F77 HydrophobicContact CD2-CB 3.88Å; L61-F77 HydrophobicContact CG-CB 4.5Å; E73-F77 PolarHBondContact O-N 3.29Å; F74-F77 HydrophobicContact CD2-CD1 4.29Å; F74-F77 HydrophobicContact CE2-CD1 4.15Å; F74-F77 WeakPolarHBondContact O-CA 3.44Å; F74-F77 VanDerWaalsContact O-CB 3.3Å; F74-F77 WeakPolarHBondContact O-CB 3.35Å; F74-F77 PolarHBondContact O-N 3.11Å; F74-F77 VanDerWaalsContact O-N 3.08Å; F77-T79 VanDerWaalsContact C-N 3.26Å; F77-T79 PolarHBondContact O-N 3.43Å; F77-M80 WeakPolarHBondContact O-CB 3.27Å; F77-M80 PolarHBondContact O-N 3.18Å; F77-M80 VanDerWaalsContact O-N 3.14Å; F77-V81 HydrophobicContact CD2-CG2 4.08Å; F77-V81 HydrophobicContact CE1-CG2 4.19Å; F77-V81 HydrophobicContact CE2-CG2 3.6Å; F77-V81 HydrophobicContact CZ-CG2 3.65Å; F77-V81 WeakPolarHBondContact O-CG2 3.39Å; F77-V81 PolarHBondContact O-N 3.02Å
78I94.1Very high90.1Very high29 Ų2958.9 Ų58.915%0.14931%0.312CS..Hα-helixtrans-59.1-39.1177.4-64.1-58.4000111.7I11 F74 M75 V81 T82I11-I78 HydrophobicContact CD1-CG2 4.26Å; I11-I78 HydrophobicContact CG2-CG1 4.34Å; F74-I78 HydrophobicContact CD1-CG1 4.19Å; F74-I78 HydrophobicContact CE1-CD1 4.12Å; F74-I78 HydrophobicContact CE1-CG1 3.71Å; F74-I78 HydrophobicContact CE2-CD1 4.04Å; F74-I78 HydrophobicContact CE2-CG1 4.19Å; F74-I78 HydrophobicContact CZ-CD1 3.62Å; F74-I78 HydrophobicContact CZ-CG1 3.72Å; F74-I78 PolarHBondContact O-N 3.47Å; M75-I78 PolarHBondContact O-N 3.17Å; I78-V81 PolarHBondContact O-N 3.49Å; I78-T82 WeakPolarHBondContact O-CB 3.42Å; I78-T82 PolarHBondContact O-N 2.86Å; I78-T82 PolarHBondContact O-OG1 3.19Å
79T92.9Very high88.4Confident80 Ų8061.1 Ų61.149%0.49133%0.331SS..Hα-helixtrans-63-47.5175.8-57.10000111M75 T76 F77 V81 T82 V83M75-T79 WeakPolarHBondContact O-CB 3.46Å; M75-T79 PolarHBondContact O-N 3.49Å; M75-T79 PolarHBondContact O-OG1 2.93Å; T76-T79 WeakPolarHBondContact O-CB 3.44Å; T76-T79 PolarHBondContact O-N 3.37Å; F77-T79 VanDerWaalsContact C-N 3.26Å; F77-T79 PolarHBondContact O-N 3.43Å; T79-V81 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 3.4Å; T79-T82 PolarHBondContact O-N 3.44Å; T79-V83 HydrophobicContact CG2-CG2 4.5Å; T79-V83 WeakPolarHBondContact O-CG2 3.33Å; T79-V83 PolarHBondContact O-N 3.04Å
80M89.8Confident86.6Confident95 Ų9566.1 Ų66.147%0.46835%0.354SS..Hα-helixtrans-58.1-45.8177.2-70174.3175.900111.8L61 T76 F77 V83 C84L61-M80 HydrophobicContact CD2-CE 4.35Å; L61-M80 HydrophobicContact CD2-SD 4.09Å; T76-M80 HydrophobicContact CG2-CE 3.82Å; T76-M80 WeakPolarHBondContact O-CG 3.42Å; T76-M80 PolarHBondContact O-N 2.96Å; F77-M80 WeakPolarHBondContact O-CB 3.27Å; F77-M80 PolarHBondContact O-N 3.18Å; F77-M80 VanDerWaalsContact O-N 3.14Å; M80-V83 PolarHBondContact O-N 3.3Å; M80-C84 VanDerWaalsContact O-CB 3.31Å; M80-C84 WeakPolarHBondContact O-CB 3.34Å; M80-C84 PolarHBondContact O-N 2.86Å
81V88.6Confident84.5Confident18 Ų1870.7 Ų70.711%0.10937%0.374CS..Hα-helixtrans-62.4-45.6177.3169.20000111.2L44 F77 I78 T79 V83 C84 C85L44-V81 HydrophobicContact CD1-CB 4.13Å; L44-V81 HydrophobicContact CD1-CG1 3.67Å; L44-V81 HydrophobicContact CD1-CG2 3.35Å; F77-V81 HydrophobicContact CD2-CG2 4.08Å; F77-V81 HydrophobicContact CE1-CG2 4.19Å; F77-V81 HydrophobicContact CE2-CG2 3.6Å; F77-V81 HydrophobicContact CZ-CG2 3.65Å; F77-V81 WeakPolarHBondContact O-CG2 3.39Å; F77-V81 PolarHBondContact O-N 3.02Å; I78-V81 PolarHBondContact O-N 3.49Å; T79-V81 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 3.4Å; V81-V83 PolarHBondContact O-N 3.36Å; V81-C84 PolarHBondContact O-N 3.27Å; V81-C85 WeakPolarHBondContact O-CB 3.45Å; V81-C85 PolarHBondContact O-N 2.97Å; V81-C85 PolarHBondContact O-SG 3.5Å; V81-C85 VanDerWaalsContact O-SG 3.32Å
82T90.5Very high82.4Confident86 Ų8672.9 Ų72.953%0.52839%0.385SS..Hα-helixtrans-62.6-43.8-179-57.50000111.4I78 T79 C85 H86I78-T82 WeakPolarHBondContact O-CB 3.42Å; I78-T82 PolarHBondContact O-N 2.86Å; I78-T82 PolarHBondContact O-OG1 3.19Å; T79-T82 PolarHBondContact O-N 3.44Å; T82-C85 PolarHBondContact O-N 3.29Å; T82-H86 WeakPolarHBondContact O-CB 3.43Å; T82-H86 PolarHBondContact O-N 2.88Å
83V88.4Confident79.9Confident76 Ų7674.2 Ų74.246%0.46139%0.391SS..Hα-helixtrans-64.1-46.1175.91730000110.7T79 M80 V81 C85 H86 D87T79-V83 HydrophobicContact CG2-CG2 4.5Å; T79-V83 WeakPolarHBondContact O-CG2 3.33Å; T79-V83 PolarHBondContact O-N 3.04Å; M80-V83 PolarHBondContact O-N 3.3Å; V81-V83 PolarHBondContact O-N 3.36Å; V83-C85 VanDerWaalsContact C-N 3.33Å; V83-C85 PolarHBondContact O-N 2.9Å; V83-H86 WeakPolarHBondContact O-CB 3.49Å; V83-H86 PolarHBondContact O-N 3.24Å; V83-H86 VanDerWaalsContact O-N 3.16Å; V83-D87 PolarHBondContact O-N 3.44Å
84C83.1Confident77.5Confident52 Ų5281.4 Ų81.435%0.35143%0.429SS..Hα-helixtrans-58.7-44.5177-172.20000111.7M80 V81 F88M80-C84 VanDerWaalsContact O-CB 3.31Å; M80-C84 WeakPolarHBondContact O-CB 3.34Å; M80-C84 PolarHBondContact O-N 2.86Å; V81-C84 PolarHBondContact O-N 3.27Å; C84-F88 WeakPolarHBondContact O-CB 3.43Å; C84-F88 PolarHBondContact O-N 3.37Å
85C81.6Confident74.9Confident62 Ų6292.1 Ų92.142%0.41948%0.479SS..Hα-helixtrans-65.5-39.4175.7-71.30000112.6V81 T82 V83 F88 C89V81-C85 WeakPolarHBondContact O-CB 3.45Å; V81-C85 PolarHBondContact O-N 2.97Å; V81-C85 PolarHBondContact O-SG 3.5Å; V81-C85 VanDerWaalsContact O-SG 3.32Å; T82-C85 PolarHBondContact O-N 3.29Å; V83-C85 VanDerWaalsContact C-N 3.33Å; V83-C85 PolarHBondContact O-N 2.9Å; C85-F88 PolarHBondContact O-N 3.29Å; C85-C89 WeakPolarHBondContact O-CB 3.25Å; C85-C89 PolarHBondContact O-N 3.49Å; C85-C89 PolarHBondContact O-SG 3.26Å
86H80.9Confident73.9Confident105 Ų10594 Ų9449%0.48649%0.49SS..Hα-helixtrans-60.9-50.5176-179.2-87.2000110.8T82 V83 F88 C89 E90T82-H86 WeakPolarHBondContact O-CB 3.43Å; T82-H86 PolarHBondContact O-N 2.88Å; V83-H86 WeakPolarHBondContact O-CB 3.49Å; V83-H86 PolarHBondContact O-N 3.24Å; V83-H86 VanDerWaalsContact O-N 3.16Å; H86-F88 VanDerWaalsContact C-N 3.29Å; H86-F88 PolarHBondContact O-N 3.49Å; H86-C89 PolarHBondContact O-N 3.05Å; H86-C89 VanDerWaalsContact O-N 3.17Å; H86-E90 IonicContact CE1-OE1 3.17Å; H86-E90 PolarHBondContact CE1-OE1 3Å; H86-E90 IonicContact CE1-OE2 3.36Å; H86-E90 PolarHBondContact CE1-OE2 3.14Å; H86-E90 IonicContact ND1-OE2 3.63Å; H86-E90 IonicContact NE2-OE1 3.74Å; H86-E90 PolarHBondContact O-N 2.76Å
87D79Confident72.8Confident74 Ų7495.6 Ų95.640%0.39650%0.495SS..Hα-helixtrans-60.5-40.8177.5-66-10000111V83 C89 E90 H91V83-D87 PolarHBondContact O-N 3.44Å; D87-C89 VanDerWaalsContact C-N 3.34Å; D87-C89 PolarHBondContact O-N 2.98Å; D87-E90 PolarHBondContact O-N 3.39Å; D87-H91 PolarHBondContact O-N 2.76Å; D87-H91 PolarHBondContact O-ND1 3.43Å
88F67.5Low71.6Confident132 Ų132100.4 Ų100.458%0.57952%0.52SS*.Hα-helixtrans-66.5-34.3178.2-144.6-86.4000112.9C84 C85 H86 H92C84-F88 WeakPolarHBondContact O-CB 3.43Å; C84-F88 PolarHBondContact O-N 3.37Å; C85-F88 PolarHBondContact O-N 3.29Å; H86-F88 VanDerWaalsContact C-N 3.29Å; H86-F88 PolarHBondContact O-N 3.49Å; F88-H92 AromaticContact CD1-CD2 3.88Å; F88-H92 AromaticContact CE1-CD2 3.78Å; F88-H92 AromaticContact CE1-NE2 3.78Å
89C59.5Low70.3Confident85 Ų85104.6 Ų104.657%0.57454%0.542SS*.Hα-helixtrans-71.2-41174.3-74.70000111.7C85 H86 D87 H91 H92C85-C89 WeakPolarHBondContact O-CB 3.25Å; C85-C89 PolarHBondContact O-N 3.49Å; C85-C89 PolarHBondContact O-SG 3.26Å; H86-C89 PolarHBondContact O-N 3.05Å; H86-C89 VanDerWaalsContact O-N 3.17Å; D87-C89 VanDerWaalsContact C-N 3.34Å; D87-C89 PolarHBondContact O-N 2.98Å; C89-H91 PolarHBondContact O-N 3.43Å; C89-H92 PolarHBondContact O-N 3.12Å
90E57.4Low68.9Low105 Ų105106.1 Ų106.149%0.49155%0.546SS..Hα-helixtrans-66.6-35178-71-167.3143.600112.3H86 D87 H92 E93H86-E90 IonicContact CE1-OE1 3.17Å; H86-E90 PolarHBondContact CE1-OE1 3Å; H86-E90 IonicContact CE1-OE2 3.36Å; H86-E90 PolarHBondContact CE1-OE2 3.14Å; H86-E90 IonicContact ND1-OE2 3.63Å; H86-E90 IonicContact NE2-OE1 3.74Å; H86-E90 PolarHBondContact O-N 2.76Å; D87-E90 PolarHBondContact O-N 3.39Å; E90-H92 VanDerWaalsContact C-N 3.27Å; E90-H92 PolarHBondContact O-N 2.86Å; E90-E93 PolarHBondContact O-N 3.16Å
91H53.7Low67.5Low143 Ų143106.9 Ų106.966%0.66255%0.551SS**THydrogen-bonded Turntrans-74.6-14.4177.5-73.473.1000114.2D87 C89D87-H91 PolarHBondContact O-N 2.76Å; D87-H91 PolarHBondContact O-ND1 3.43Å; C89-H91 PolarHBondContact O-N 3.43Å
92H50.7Low66Low118 Ų118113.2 Ų113.255%0.54658%0.582SS.*THydrogen-bonded Turntrans-92.1-4.9177.1-102.6-71.8000113.5F88 C89 E90F88-H92 AromaticContact CD1-CD2 3.88Å; F88-H92 AromaticContact CE1-CD2 3.78Å; F88-H92 AromaticContact CE1-NE2 3.78Å; C89-H92 PolarHBondContact O-N 3.12Å; E90-H92 VanDerWaalsContact C-N 3.27Å; E90-H92 PolarHBondContact O-N 2.86Å
93E44.2Very low64.1Low168 Ų168115.3 Ų115.379%0.78559%0.586SS**SBendtrans-88.9-9.1173.2-66.7-169.616400113E90E90-E93 PolarHBondContact O-N 3.16Å
94D45.3Very low62.1Low153 Ų153118.6 Ų118.682%0.81860%0.597SS**  trans-101.94.8-178.3-80.3-37.4000114.9
95E42.1Very low60.2Low226 Ų226124.6 Ų124.6100%1.05662%0.619SS**  trans-112.70170.4-71.3-163140.200112.8

Retrieved 95 of 95 residues in 185.9 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).