A0A078BPI4_CAEEL Loading...

DUF4440 domain-containing protein

AlphaFold DB , UniProt , Accession A0A078BPI4, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 105 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
1M55.2Low82.1Confident182 Ų18292.6 Ų92.690%0.89750%0.497SS*.  0-30.70-61.2-161.2-59.400113.2N3 E4 A5M1-N3 PolarHBondContact O-N 3.18Å; M1-E4 PolarHBondContact O-N 3.05Å; M1-A5 PolarHBondContact O-N 2.94Å
2S61.3Low82.9Confident68 Ų6893 Ų9348%0.47649%0.493SS..Hα-helixtrans-61.6-41.9177.662.80000113.9E4 A5 E6S2-E4 VanDerWaalsContact C-N 3.28Å; S2-E4 PolarHBondContact O-N 2.95Å; S2-A5 PolarHBondContact O-N 2.74Å; S2-E6 WeakPolarHBondContact O-CB 3.17Å; S2-E6 PolarHBondContact O-N 3.24Å
3N74.3Confident83.7Confident129 Ų12986.9 Ų86.969%0.6946%0.46SS*.Hα-helixtrans-64.1-30.6-178.6-75.38.6000113.7M1 A7M1-N3 PolarHBondContact O-N 3.18Å; N3-A7 WeakPolarHBondContact O-CB 3.36Å; N3-A7 PolarHBondContact O-N 2.91Å; N3-A7 VanDerWaalsContact O-N 3.13Å
4E84.3Confident84.4Confident139 Ų13985.9 Ų85.965%0.6545%0.454SS*.Hα-helixtrans-81.3-41.7-179.8-169.3170.7-16500111.1M1 S2 E6 A7 L8M1-E4 PolarHBondContact O-N 3.05Å; S2-E4 VanDerWaalsContact C-N 3.28Å; S2-E4 PolarHBondContact O-N 2.95Å; E4-E6 VanDerWaalsContact C-N 3.31Å; E4-E6 PolarHBondContact O-N 2.96Å; E4-A7 PolarHBondContact O-N 3.26Å; E4-L8 HydrophobicContact CG-CD1 4.2Å; E4-L8 WeakPolarHBondContact O-CB 3.18Å; E4-L8 VanDerWaalsContact O-CG 3.29Å; E4-L8 WeakPolarHBondContact O-CG 3.26Å; E4-L8 PolarHBondContact O-N 3.41Å
5A86.9Confident85.1Confident3 Ų387.6 Ų87.63%0.02546%0.457CS..Hα-helixtrans-58.8-43.517200000111.7M1 S2 L8 L9 L82M1-A5 PolarHBondContact O-N 2.94Å; S2-A5 PolarHBondContact O-N 2.74Å; A5-L8 PolarHBondContact O-N 2.68Å; A5-L9 VanDerWaalsContact O-CB 3.22Å; A5-L9 WeakPolarHBondContact O-CB 3.35Å; A5-L9 PolarHBondContact O-N 3.44Å; A5-L82 HydrophobicContact CB-CD2 3.86Å
6E89.4Confident85.7Confident80 Ų8083.3 Ų83.337%0.37443%0.433SS..Hα-helixtrans-62.2-49.7175.1-176.4168.2172.800111.7S2 E4 L8 L9 K10 Y75S2-E6 WeakPolarHBondContact O-CB 3.17Å; S2-E6 PolarHBondContact O-N 3.24Å; E4-E6 VanDerWaalsContact C-N 3.31Å; E4-E6 PolarHBondContact O-N 2.96Å; E6-L8 PolarHBondContact O-N 2.77Å; E6-L9 PolarHBondContact O-N 3.48Å; E6-K10 HydrophobicContact CG-CB 4.27Å; E6-K10 HydrophobicContact CG-CD 4.33Å; E6-K10 WeakPolarHBondContact O-CB 3.21Å; E6-K10 PolarHBondContact O-N 2.98Å; E6-Y75 HydrophobicContact CB-CD2 3.85Å; E6-Y75 HydrophobicContact CB-CG 3.82Å; E6-Y75 HydrophobicContact CG-CD2 3.53Å; E6-Y75 HydrophobicContact CG-CE2 3.86Å; E6-Y75 HydrophobicContact CG-CG 3.94Å
7A89.3Confident86.1Confident76 Ų7679.9 Ų79.963%0.62842%0.42SS*.Hα-helixtrans-59-36-179.700000112.9N3 E4N3-A7 WeakPolarHBondContact O-CB 3.36Å; N3-A7 PolarHBondContact O-N 2.91Å; N3-A7 VanDerWaalsContact O-N 3.13Å; E4-A7 PolarHBondContact O-N 3.26Å
8L87.9Confident86.6Confident104 Ų10482.1 Ų82.155%0.54543%0.425SS..Hα-helixtrans-79.2-46179.6-68.8170.4000112.7E4 A5 E6 L82E4-L8 HydrophobicContact CG-CD1 4.2Å; E4-L8 WeakPolarHBondContact O-CB 3.18Å; E4-L8 VanDerWaalsContact O-CG 3.29Å; E4-L8 WeakPolarHBondContact O-CG 3.26Å; E4-L8 PolarHBondContact O-N 3.41Å; A5-L8 PolarHBondContact O-N 2.68Å; E6-L8 PolarHBondContact O-N 2.77Å; L8-L82 HydrophobicContact CB-CD1 3.97Å
9L91.3Very high87.1Confident37 Ų3779.6 Ų79.619%0.19441%0.411CS..Hα-helixtrans-85.6-35.2-171-172.458.7000112.5A5 E6 L11 Q12 F13 Y75 L82 I84A5-L9 VanDerWaalsContact O-CB 3.22Å; A5-L9 WeakPolarHBondContact O-CB 3.35Å; A5-L9 PolarHBondContact O-N 3.44Å; E6-L9 PolarHBondContact O-N 3.48Å; L9-L11 PolarHBondContact O-N 3.15Å; L9-Q12 PolarHBondContact O-N 2.8Å; L9-Q12 VanDerWaalsContact O-N 3.15Å; L9-F13 WeakPolarHBondContact O-CB 3.32Å; L9-F13 PolarHBondContact O-N 2.8Å; L9-Y75 HydrophobicContact CB-CD1 4.06Å; L9-Y75 HydrophobicContact CB-CE1 4.42Å; L9-Y75 HydrophobicContact CD2-CD1 4.09Å; L9-Y75 HydrophobicContact CG-CD1 4.26Å; L9-Y75 HydrophobicContact CG-CE1 4.42Å; L9-L82 HydrophobicContact CB-CD1 4.16Å; L9-L82 HydrophobicContact CD2-CB 4Å; L9-I84 HydrophobicContact CD2-CB 3.81Å; L9-I84 HydrophobicContact CD2-CG2 3.99Å
10K91.5Very high87.4Confident75 Ų7577.4 Ų77.433%0.32640%0.399SS..Hα-helixtrans-59.8-43.9-173.1-180162.6174.6350112.7E6 Q12 F13 D14 Y75E6-K10 HydrophobicContact CG-CB 4.27Å; E6-K10 HydrophobicContact CG-CD 4.33Å; E6-K10 WeakPolarHBondContact O-CB 3.21Å; E6-K10 PolarHBondContact O-N 2.98Å; K10-Q12 VanDerWaalsContact C-N 3.32Å; K10-Q12 PolarHBondContact O-N 3.04Å; K10-F13 PolarHBondContact O-N 3.15Å; K10-D14 VanDerWaalsContact NZ-CG 3.26Å; K10-D14 IonicContact NZ-OD1 2.98Å; K10-D14 PolarHBondContact NZ-OD1 3.15Å; K10-D14 IonicContact NZ-OD2 2.74Å; K10-D14 PolarHBondContact NZ-OD2 3.15Å; K10-D14 WeakPolarHBondContact O-CB 3.49Å; K10-D14 PolarHBondContact O-N 3.3Å; K10-Y75 HydrophobicContact CB-CE1 3.99Å
11L91.8Very high87.6Confident126 Ų12675.2 Ų75.266%0.6639%0.388SS*.Hα-helixtrans-62.6-40.5179-178.364.6000111.9L9 K15L9-L11 PolarHBondContact O-N 3.15Å; L11-K15 WeakPolarHBondContact O-CB 3.44Å; L11-K15 PolarHBondContact O-N 2.94Å
12Q92.1Very high89.4Confident97 Ų9770 Ų7045%0.45336%0.364SS..Hα-helixtrans-69.5-42.8178-65.9-63.1-15.600111.3L9 K10 K15 Y16 Y31L9-Q12 PolarHBondContact O-N 2.8Å; L9-Q12 VanDerWaalsContact O-N 3.15Å; K10-Q12 VanDerWaalsContact C-N 3.32Å; K10-Q12 PolarHBondContact O-N 3.04Å; Q12-K15 PolarHBondContact O-N 2.85Å; Q12-Y16 WeakPolarHBondContact O-CB 3.39Å; Q12-Y16 PolarHBondContact O-N 2.92Å; Q12-Y31 HydrophobicContact CB-CE1 4.47Å; Q12-Y31 WeakPolarHBondContact O-CE1 3.22Å
13F92.9Very high91Very high14 Ų1470.6 Ų70.66%0.06136%0.36CS..Hα-helixtrans-63.4-46.7177.7177.7-96.5000112L9 K10 K15 Y16 A17 T70 I84 F102L9-F13 WeakPolarHBondContact O-CB 3.32Å; L9-F13 PolarHBondContact O-N 2.8Å; K10-F13 PolarHBondContact O-N 3.15Å; F13-K15 VanDerWaalsContact C-N 3.27Å; F13-K15 PolarHBondContact O-N 3.4Å; F13-Y16 HydrophobicContact CD2-CD1 4.44Å; F13-Y16 HydrophobicContact CE2-CD1 4.47Å; F13-Y16 WeakPolarHBondContact O-CB 3.45Å; F13-Y16 PolarHBondContact O-N 3.15Å; F13-A17 WeakPolarHBondContact O-CB 3.4Å; F13-A17 PolarHBondContact O-N 3.25Å; F13-T70 HydrophobicContact CE1-CG2 4.1Å; F13-T70 HydrophobicContact CZ-CG2 4.31Å; F13-I84 HydrophobicContact CD1-CD1 3.86Å; F13-I84 HydrophobicContact CD2-CD1 3.86Å; F13-I84 HydrophobicContact CD2-CG2 4.37Å; F13-I84 HydrophobicContact CE1-CD1 4.02Å; F13-I84 HydrophobicContact CE2-CD1 4.03Å; F13-I84 HydrophobicContact CG-CD1 3.78Å; F13-I84 HydrophobicContact CZ-CD1 4.12Å; F13-F102 HydrophobicContact CE1-CZ 4.37Å; F13-F102 AromaticContact CE2-CE2 3.73Å; F13-F102 HydrophobicContact CE2-CE2 3.73Å; F13-F102 AromaticContact CE2-CZ 3.53Å; F13-F102 HydrophobicContact CE2-CZ 3.53Å; F13-F102 HydrophobicContact CZ-CE1 4.16Å; F13-F102 HydrophobicContact CZ-CE2 4.08Å; F13-F102 AromaticContact CZ-CZ 3.37Å; F13-F102 HydrophobicContact CZ-CZ 3.37Å
14D93.5Very high92Very high72 Ų7267.2 Ų67.239%0.38534%0.343SS..Hα-helixtrans-61.7-38.4178.9-69.7-15.3000110.9K10 K18K10-D14 VanDerWaalsContact NZ-CG 3.26Å; K10-D14 IonicContact NZ-OD1 2.98Å; K10-D14 PolarHBondContact NZ-OD1 3.15Å; K10-D14 IonicContact NZ-OD2 2.74Å; K10-D14 PolarHBondContact NZ-OD2 3.15Å; K10-D14 WeakPolarHBondContact O-CB 3.49Å; K10-D14 PolarHBondContact O-N 3.3Å; D14-K18 WeakPolarHBondContact O-CB 3.43Å; D14-K18 PolarHBondContact O-N 3.44Å
15K95.1Very high92.4Very high112 Ų11263.5 Ų63.549%0.48732%0.323SS..Hα-helixtrans-67.7-42.4175.7-170.9175.7174.7-162.90112L11 Q12 F13 K18 F19 Y31L11-K15 WeakPolarHBondContact O-CB 3.44Å; L11-K15 PolarHBondContact O-N 2.94Å; Q12-K15 PolarHBondContact O-N 2.85Å; F13-K15 VanDerWaalsContact C-N 3.27Å; F13-K15 PolarHBondContact O-N 3.4Å; K15-K18 PolarHBondContact O-N 2.91Å; K15-F19 HydrophobicContact CD-CE2 4.14Å; K15-F19 HydrophobicContact CD-CZ 4.46Å; K15-F19 VanDerWaalsContact CE-CZ 3.48Å; K15-F19 HydrophobicContact CG-CD2 4.2Å; K15-F19 HydrophobicContact CG-CE2 3.69Å; K15-F19 HydrophobicContact CG-CZ 4.17Å; K15-F19 VanDerWaalsContact O-CD2 3.26Å; K15-F19 WeakPolarHBondContact O-CD2 3.29Å; K15-F19 WeakPolarHBondContact O-CG 3.4Å; K15-F19 PolarHBondContact O-N 2.91Å; K15-Y31 VanDerWaalsContact CD-OH 3.31Å; K15-Y31 WeakPolarHBondContact CD-OH 3.36Å; K15-Y31 WeakPolarHBondContact CG-OH 3Å
16Y94.4Very high92.8Very high19 Ų1967.1 Ų67.18%0.07535%0.354CS..Hα-helixtrans-59.5-49173.1166.1-102.8000112.1Q12 F13 K18 F19 I20 V28 Y31 Y32Q12-Y16 WeakPolarHBondContact O-CB 3.39Å; Q12-Y16 PolarHBondContact O-N 2.92Å; F13-Y16 HydrophobicContact CD2-CD1 4.44Å; F13-Y16 HydrophobicContact CE2-CD1 4.47Å; F13-Y16 WeakPolarHBondContact O-CB 3.45Å; F13-Y16 PolarHBondContact O-N 3.15Å; Y16-K18 VanDerWaalsContact C-N 3.29Å; Y16-K18 PolarHBondContact O-N 3.41Å; Y16-F19 PolarHBondContact O-N 2.9Å; Y16-F19 VanDerWaalsContact O-N 3.12Å; Y16-I20 HydrophobicContact CD1-CD1 4.23Å; Y16-I20 HydrophobicContact CE1-CD1 3.54Å; Y16-I20 HydrophobicContact CE2-CD1 3.99Å; Y16-I20 HydrophobicContact CE2-CG1 4.5Å; Y16-I20 VanDerWaalsContact CZ-CD1 3.41Å; Y16-I20 PolarHBondContact O-N 2.87Å; Y16-I20 VanDerWaalsContact O-N 3.12Å; Y16-I20 WeakPolarHBondContact OH-CD1 3.41Å; Y16-V28 HydrophobicContact CD2-CG1 4.49Å; Y16-V28 HydrophobicContact CE2-CG1 3.77Å; Y16-Y31 HydrophobicContact CD2-CD1 4.1Å; Y16-Y31 HydrophobicContact CD2-CD2 4.09Å; Y16-Y31 AromaticContact CD2-CG 3.68Å; Y16-Y31 HydrophobicContact CD2-CG 3.68Å; Y16-Y31 HydrophobicContact CG-CD1 4.27Å; Y16-Y31 HydrophobicContact CG-CG 4.3Å; Y16-Y32 PolarHBondContact OH-OH 2.9Å
17A93.3Very high93Very high26 Ų2668 Ų6822%0.21536%0.357CS..Hα-helixtrans-59.3-42.4177.700000111F13 F19 I20 D21F13-A17 WeakPolarHBondContact O-CB 3.4Å; F13-A17 PolarHBondContact O-N 3.25Å; A17-F19 VanDerWaalsContact C-N 3.35Å; A17-F19 PolarHBondContact O-N 2.95Å; A17-I20 WeakPolarHBondContact O-CB 3.48Å; A17-I20 PolarHBondContact O-N 3.02Å; A17-I20 VanDerWaalsContact O-N 3.11Å; A17-D21 PolarHBondContact O-N 2.81Å
18K94.3Very high93.3Very high119 Ų11964.3 Ų64.352%0.51733%0.327SS..Hα-helixtrans-62-39.5175.1-177.8161.2178.847.30112.9D14 K15 Y16 I20 D21 D22D14-K18 WeakPolarHBondContact O-CB 3.43Å; D14-K18 PolarHBondContact O-N 3.44Å; K15-K18 PolarHBondContact O-N 2.91Å; Y16-K18 VanDerWaalsContact C-N 3.29Å; Y16-K18 PolarHBondContact O-N 3.41Å; K18-I20 VanDerWaalsContact C-N 3.26Å; K18-I20 PolarHBondContact O-N 3.3Å; K18-D21 PolarHBondContact O-N 2.85Å; K18-D22 WeakPolarHBondContact CE-OD2 3.36Å; K18-D22 WeakPolarHBondContact CG-OD2 3.49Å; K18-D22 IonicContact NZ-OD1 3.58Å; K18-D22 IonicContact NZ-OD2 2.7Å; K18-D22 PolarHBondContact NZ-OD2 3.07Å; K18-D22 WeakPolarHBondContact O-CB 3.41Å; K18-D22 PolarHBondContact O-N 2.96Å
19F95.4Very high93.6Very high35 Ų3562.6 Ų62.615%0.15432%0.317CS..Hα-helixtrans-64.9-29.9174.7-71.8-46.2000113.1K15 Y16 A17 E23 V24 E27 V28 Y31K15-F19 HydrophobicContact CD-CE2 4.14Å; K15-F19 HydrophobicContact CD-CZ 4.46Å; K15-F19 VanDerWaalsContact CE-CZ 3.48Å; K15-F19 HydrophobicContact CG-CD2 4.2Å; K15-F19 HydrophobicContact CG-CE2 3.69Å; K15-F19 HydrophobicContact CG-CZ 4.17Å; K15-F19 VanDerWaalsContact O-CD2 3.26Å; K15-F19 WeakPolarHBondContact O-CD2 3.29Å; K15-F19 WeakPolarHBondContact O-CG 3.4Å; K15-F19 PolarHBondContact O-N 2.91Å; Y16-F19 PolarHBondContact O-N 2.9Å; Y16-F19 VanDerWaalsContact O-N 3.12Å; A17-F19 VanDerWaalsContact C-N 3.35Å; A17-F19 PolarHBondContact O-N 2.95Å; F19-E23 PolarHBondContact O-N 3.47Å; F19-E23 VanDerWaalsContact O-N 3.12Å; F19-V24 HydrophobicContact CB-CB 4.35Å; F19-V24 HydrophobicContact CD1-CB 3.86Å; F19-V24 HydrophobicContact CD1-CG1 4.29Å; F19-V24 HydrophobicContact CD1-CG2 4.07Å; F19-V24 HydrophobicContact CG-CB 4.47Å; F19-V24 PolarHBondContact O-N 3.36Å; F19-E27 HydrophobicContact CB-CB 4.45Å; F19-E27 HydrophobicContact CD1-CB 4Å; F19-E27 HydrophobicContact CD1-CG 4.27Å; F19-E27 HydrophobicContact CD2-CB 3.74Å; F19-E27 HydrophobicContact CE1-CB 4.06Å; F19-E27 HydrophobicContact CE1-CG 3.95Å; F19-E27 HydrophobicContact CE2-CB 3.79Å; F19-E27 HydrophobicContact CE2-CG 4.29Å; F19-E27 HydrophobicContact CG-CB 3.84Å; F19-E27 HydrophobicContact CZ-CB 3.94Å; F19-E27 HydrophobicContact CZ-CG 3.94Å; F19-V28 HydrophobicContact CB-CG2 3.76Å; F19-Y31 HydrophobicContact CD2-CD2 4.41Å; F19-Y31 AromaticContact CD2-CE2 3.59Å; F19-Y31 HydrophobicContact CD2-CE2 3.59Å; F19-Y31 AromaticContact CE2-CE2 3.65Å; F19-Y31 HydrophobicContact CE2-CE2 3.65Å
20I93Very high93.7Very high35 Ų3563.9 Ų63.918%0.17934%0.339CS..Hα-helixtrans-69.2-49.7171.3-67173.2000110.5Y16 A17 K18 D22 E23 W25 V28 I56Y16-I20 HydrophobicContact CD1-CD1 4.23Å; Y16-I20 HydrophobicContact CE1-CD1 3.54Å; Y16-I20 HydrophobicContact CE2-CD1 3.99Å; Y16-I20 HydrophobicContact CE2-CG1 4.5Å; Y16-I20 VanDerWaalsContact CZ-CD1 3.41Å; Y16-I20 PolarHBondContact O-N 2.87Å; Y16-I20 VanDerWaalsContact O-N 3.12Å; Y16-I20 WeakPolarHBondContact OH-CD1 3.41Å; A17-I20 WeakPolarHBondContact O-CB 3.48Å; A17-I20 PolarHBondContact O-N 3.02Å; A17-I20 VanDerWaalsContact O-N 3.11Å; K18-I20 VanDerWaalsContact C-N 3.26Å; K18-I20 PolarHBondContact O-N 3.3Å; I20-D22 PolarHBondContact O-N 2.82Å; I20-E23 PolarHBondContact O-N 3.13Å; I20-W25 HydrophobicContact CG2-CH2 4.5Å; I20-W25 HydrophobicContact CG2-CZ3 4.41Å; I20-V28 HydrophobicContact CG1-CG1 4.19Å; I20-V28 HydrophobicContact CG1-CG2 3.88Å; I20-I56 HydrophobicContact CD1-CD1 4.46Å; I20-I56 HydrophobicContact CD1-CG2 4.43Å; I20-I56 HydrophobicContact CG2-CG2 4.2Å
21D92.3Very high93.8Very high31 Ų3163.5 Ų63.517%0.16634%0.336CS..Hα-helixtrans-60.5-34.5-179.9-68.9-18.7000112.4A17 K18 E23 K65 G68A17-D21 PolarHBondContact O-N 2.81Å; K18-D21 PolarHBondContact O-N 2.85Å; D21-E23 VanDerWaalsContact C-N 3.34Å; D21-K65 WeakPolarHBondContact O-CE 3.4Å; D21-G68 PolarHBondContact OD1-N 3.5Å
22D94.3Very high93.9Very high74 Ų7459.3 Ų59.340%0.39631%0.312SS..THydrogen-bonded Turntrans-89.11.9177.3-66.8-27000113K18 I20 V24K18-D22 WeakPolarHBondContact CE-OD2 3.36Å; K18-D22 WeakPolarHBondContact CG-OD2 3.49Å; K18-D22 IonicContact NZ-OD1 3.58Å; K18-D22 IonicContact NZ-OD2 2.7Å; K18-D22 PolarHBondContact NZ-OD2 3.07Å; K18-D22 WeakPolarHBondContact O-CB 3.41Å; K18-D22 PolarHBondContact O-N 2.96Å; I20-D22 PolarHBondContact O-N 2.82Å; D22-V24 VanDerWaalsContact C-N 3.28Å; D22-V24 HydrophobicContact CB-CG2 3.86Å; D22-V24 PolarHBondContact O-N 3.26Å
23E93.6Very high94Very high80 Ų8060.9 Ų60.937%0.37432%0.319SS..THydrogen-bonded Turntrans56.334.2178.7-56.2-172.6167.600114.5F19 I20 D21 W25F19-E23 PolarHBondContact O-N 3.47Å; F19-E23 VanDerWaalsContact O-N 3.12Å; I20-E23 PolarHBondContact O-N 3.13Å; D21-E23 VanDerWaalsContact C-N 3.34Å; E23-W25 VanDerWaalsContact C-N 3.3Å; E23-W25 HydrophobicContact CB-CH2 4.43Å; E23-W25 HydrophobicContact CB-CZ2 3.63Å; E23-W25 HydrophobicContact CG-CH2 4.27Å; E23-W25 HydrophobicContact CG-CZ2 3.64Å; E23-W25 PolarHBondContact O-N 3.16Å; E23-W25 PolarHBondContact O-NE1 2.78Å
24V95.5Very high94Very high57 Ų5764.8 Ų64.835%0.34535%0.345SS..  trans-86.567.5179.7-164.90000110.4F19 D22 A26 E27 V28F19-V24 HydrophobicContact CB-CB 4.35Å; F19-V24 HydrophobicContact CD1-CB 3.86Å; F19-V24 HydrophobicContact CD1-CG1 4.29Å; F19-V24 HydrophobicContact CD1-CG2 4.07Å; F19-V24 HydrophobicContact CG-CB 4.47Å; F19-V24 PolarHBondContact O-N 3.36Å; D22-V24 VanDerWaalsContact C-N 3.28Å; D22-V24 HydrophobicContact CB-CG2 3.86Å; D22-V24 PolarHBondContact O-N 3.26Å; V24-A26 VanDerWaalsContact C-N 3.29Å; V24-A26 PolarHBondContact O-N 3.38Å; V24-A26 VanDerWaalsContact O-N 3.16Å; V24-E27 HydrophobicContact CB-CG 4.48Å; V24-E27 HydrophobicContact CG1-CB 4.03Å; V24-E27 HydrophobicContact CG1-CG 3.54Å; V24-E27 PolarHBondContact O-N 2.75Å; V24-V28 PolarHBondContact O-N 2.88Å
25W93.1Very high94Very high61 Ų6166 Ų6623%0.23136%0.359CS..Hα-helixtrans-60-30.8-167.5-53.9120.2000115.8I20 E23 E27 V28 E29 I56 A57 A60I20-W25 HydrophobicContact CG2-CH2 4.5Å; I20-W25 HydrophobicContact CG2-CZ3 4.41Å; E23-W25 VanDerWaalsContact C-N 3.3Å; E23-W25 HydrophobicContact CB-CH2 4.43Å; E23-W25 HydrophobicContact CB-CZ2 3.63Å; E23-W25 HydrophobicContact CG-CH2 4.27Å; E23-W25 HydrophobicContact CG-CZ2 3.64Å; E23-W25 PolarHBondContact O-N 3.16Å; E23-W25 PolarHBondContact O-NE1 2.78Å; W25-E27 VanDerWaalsContact C-N 3.32Å; W25-E27 PolarHBondContact O-N 2.92Å; W25-V28 HydrophobicContact CE3-CB 4.45Å; W25-V28 HydrophobicContact CE3-CG2 4.16Å; W25-V28 PolarHBondContact O-N 2.88Å; W25-E29 PolarHBondContact O-N 2.77Å; W25-I56 HydrophobicContact CH2-CG2 4.23Å; W25-I56 HydrophobicContact CZ3-CB 4.36Å; W25-I56 HydrophobicContact CZ3-CG2 3.74Å; W25-A57 HydrophobicContact CD2-CB 3.7Å; W25-A57 HydrophobicContact CE3-CB 4.13Å; W25-A57 HydrophobicContact CG-CB 4.11Å; W25-A57 HydrophobicContact CH2-CB 4.39Å; W25-A57 HydrophobicContact CZ2-CB 3.95Å; W25-A57 HydrophobicContact CZ3-CB 4.46Å; W25-A60 HydrophobicContact CH2-CB 3.83Å; W25-A60 HydrophobicContact CZ2-CB 3.88Å
26A94.1Very high94Very high80 Ų8061.7 Ų61.766%0.66135%0.347SS*.Hα-helixtrans-64.5-37.7176.700000111.9V24V24-A26 VanDerWaalsContact C-N 3.29Å; V24-A26 PolarHBondContact O-N 3.38Å; V24-A26 VanDerWaalsContact O-N 3.16Å
27E95.1Very high94.1Very high97 Ų9764 Ų6445%0.45336%0.363SS..Hα-helixtrans-72-43.8175.3-62.8-64.8147.200110.1F19 V24 W25 E29 G30 Y31F19-E27 HydrophobicContact CB-CB 4.45Å; F19-E27 HydrophobicContact CD1-CB 4Å; F19-E27 HydrophobicContact CD1-CG 4.27Å; F19-E27 HydrophobicContact CD2-CB 3.74Å; F19-E27 HydrophobicContact CE1-CB 4.06Å; F19-E27 HydrophobicContact CE1-CG 3.95Å; F19-E27 HydrophobicContact CE2-CB 3.79Å; F19-E27 HydrophobicContact CE2-CG 4.29Å; F19-E27 HydrophobicContact CG-CB 3.84Å; F19-E27 HydrophobicContact CZ-CB 3.94Å; F19-E27 HydrophobicContact CZ-CG 3.94Å; V24-E27 HydrophobicContact CB-CG 4.48Å; V24-E27 HydrophobicContact CG1-CB 4.03Å; V24-E27 HydrophobicContact CG1-CG 3.54Å; V24-E27 PolarHBondContact O-N 2.75Å; W25-E27 VanDerWaalsContact C-N 3.32Å; W25-E27 PolarHBondContact O-N 2.92Å; E27-E29 PolarHBondContact O-N 3.33Å; E27-G30 PolarHBondContact O-N 2.85Å; E27-Y31 VanDerWaalsContact O-CD2 3.31Å; E27-Y31 WeakPolarHBondContact O-CD2 3.44Å; E27-Y31 PolarHBondContact O-N 3.15Å
28V94.3Very high94.2Very high0 Ų064.3 Ų64.30%036%0.361CS..Hα-helixtrans-54.5-41.1175.8178.50000111.6Y16 F19 I20 V24 W25 G30 Y31 Y32Y16-V28 HydrophobicContact CD2-CG1 4.49Å; Y16-V28 HydrophobicContact CE2-CG1 3.77Å; F19-V28 HydrophobicContact CB-CG2 3.76Å; I20-V28 HydrophobicContact CG1-CG1 4.19Å; I20-V28 HydrophobicContact CG1-CG2 3.88Å; V24-V28 PolarHBondContact O-N 2.88Å; W25-V28 HydrophobicContact CE3-CB 4.45Å; W25-V28 HydrophobicContact CE3-CG2 4.16Å; W25-V28 PolarHBondContact O-N 2.88Å; V28-G30 VanDerWaalsContact C-N 3.29Å; V28-G30 PolarHBondContact O-N 3.42Å; V28-Y31 PolarHBondContact O-N 3.34Å; V28-Y32 HydrophobicContact CG1-CE2 4.32Å
29E94.4Very high94.3Very high68 Ų6863.5 Ų63.532%0.31837%0.365SS..Hα-helixtrans-58-40.5176.1-175.1174.6154.700112.5W25 E27 Y31 Y32 N49W25-E29 PolarHBondContact O-N 2.77Å; E27-E29 PolarHBondContact O-N 3.33Å; E29-Y31 VanDerWaalsContact C-N 3.26Å; E29-Y31 PolarHBondContact O-N 2.85Å; E29-Y32 PolarHBondContact O-N 2.97Å; E29-N49 HydrophobicContact CG-CB 3.63Å
30G94.7Very high94.2Very high64 Ų6465.5 Ų65.566%0.6638%0.375SS*.Hα-helixtrans-69.5-17-178.500000114.8E27 V28 Y32E27-G30 PolarHBondContact O-N 2.85Å; V28-G30 VanDerWaalsContact C-N 3.29Å; V28-G30 PolarHBondContact O-N 3.42Å; G30-Y32 VanDerWaalsContact C-N 3.31Å
31Y93.1Very high94.2Very high67 Ų6773.3 Ų73.326%0.26341%0.408SS..THydrogen-bonded Turntrans-76-17.8177.3-87.1-95.2000113.7Q12 K15 Y16 F19 E27 V28 E29Q12-Y31 HydrophobicContact CB-CE1 4.47Å; Q12-Y31 WeakPolarHBondContact O-CE1 3.22Å; K15-Y31 VanDerWaalsContact CD-OH 3.31Å; K15-Y31 WeakPolarHBondContact CD-OH 3.36Å; K15-Y31 WeakPolarHBondContact CG-OH 3Å; Y16-Y31 HydrophobicContact CD2-CD1 4.1Å; Y16-Y31 HydrophobicContact CD2-CD2 4.09Å; Y16-Y31 AromaticContact CD2-CG 3.68Å; Y16-Y31 HydrophobicContact CD2-CG 3.68Å; Y16-Y31 HydrophobicContact CG-CD1 4.27Å; Y16-Y31 HydrophobicContact CG-CG 4.3Å; F19-Y31 HydrophobicContact CD2-CD2 4.41Å; F19-Y31 AromaticContact CD2-CE2 3.59Å; F19-Y31 HydrophobicContact CD2-CE2 3.59Å; F19-Y31 AromaticContact CE2-CE2 3.65Å; F19-Y31 HydrophobicContact CE2-CE2 3.65Å; E27-Y31 VanDerWaalsContact O-CD2 3.31Å; E27-Y31 WeakPolarHBondContact O-CD2 3.44Å; E27-Y31 PolarHBondContact O-N 3.15Å; V28-Y31 PolarHBondContact O-N 3.34Å; E29-Y31 VanDerWaalsContact C-N 3.26Å; E29-Y31 PolarHBondContact O-N 2.85Å
32Y92.9Very high94.2Very high38 Ų3876.1 Ų76.115%0.14944%0.444CS..SBendtrans-86135.9-178.1-68-63.7000112.4Y16 V28 E29 G30 N49 K52 I56Y16-Y32 PolarHBondContact OH-OH 2.9Å; V28-Y32 HydrophobicContact CG1-CE2 4.32Å; E29-Y32 PolarHBondContact O-N 2.97Å; G30-Y32 VanDerWaalsContact C-N 3.31Å; Y32-N49 WeakPolarHBondContact CB-OD1 3.47Å; Y32-N49 PolarHBondContact O-ND2 3.26Å; Y32-K52 HydrophobicContact CD1-CD 3.96Å; Y32-K52 HydrophobicContact CD2-CB 3.92Å; Y32-K52 HydrophobicContact CD2-CD 4.3Å; Y32-K52 HydrophobicContact CE1-CD 4.21Å; Y32-K52 HydrophobicContact CE2-CB 3.7Å; Y32-K52 HydrophobicContact CG-CB 4.49Å; Y32-K52 HydrophobicContact CG-CD 4.02Å; Y32-I56 WeakPolarHBondContact OH-CD1 3.37Å
33H94.1Very high94.2Very high130 Ų13079.2 Ų79.260%0.60245%0.454SS*.  trans-61.4140.8164.7-172.6-94000110.2S35 G36 N49H33-S35 PolarHBondContact ND1-N 3.37Å; H33-S35 VanDerWaalsContact ND1-N 3.15Å; H33-S35 PolarHBondContact O-N 2.72Å; H33-S35 VanDerWaalsContact O-N 3.15Å; H33-G36 WeakPolarHBondContact O-CA 3.46Å; H33-G36 PolarHBondContact O-N 3.38Å; H33-N49 PolarHBondContact O-OD1 2.84Å
34P93.8Very high94.3Very high95 Ų9579.3 Ų79.362%0.61745%0.454SS*.THydrogen-bonded Turntrans-55.4-34.5-178.4-29.135.8000114.4
35S94.6Very high94.3Very high97 Ų9778.7 Ų78.768%0.67846%0.455SS*.THydrogen-bonded Turntrans-90.12.4175-47.30000114H33H33-S35 PolarHBondContact ND1-N 3.37Å; H33-S35 VanDerWaalsContact ND1-N 3.15Å; H33-S35 PolarHBondContact O-N 2.72Å; H33-S35 VanDerWaalsContact O-N 3.15Å
36G94.1Very high94.5Very high22 Ų2276.5 Ų76.523%0.22745%0.449CS..  trans-70.3144.2-179.400000112.2H33 K52H33-G36 WeakPolarHBondContact O-CA 3.46Å; H33-G36 PolarHBondContact O-N 3.38Å; G36-K52 PolarHBondContact O-NZ 3.3Å
37V96.4Very high94.7Very high68 Ų6880 Ų8041%0.41245%0.446SS..EExtended strand (participates in β ladder)trans-121.3129.1-176.9-173.40000109V39 A45 Y47V37-V39 HydrophobicContact CG1-CG2 3.93Å; V37-A45 HydrophobicContact CG1-CB 4.11Å; V37-Y47 HydrophobicContact CB-CE1 4.35Å; V37-Y47 HydrophobicContact CG1-CD1 4.16Å; V37-Y47 HydrophobicContact CG1-CE1 3.82Å; V37-Y47 HydrophobicContact CG1-CE2 4.5Å; V37-Y47 HydrophobicContact CG2-CD1 3.69Å; V37-Y47 HydrophobicContact CG2-CE1 3.53Å
38L96.3Very high94.7Very high33 Ų3377 Ų7717%0.17344%0.441CS..EExtended strand (participates in β ladder)trans-93.5122.3170.5-175.9158.2000108A45 V46 K52 Y55 I56L38-A45 CarbonylContact O-C 3.58Å; L38-A45 WeakPolarHBondContact O-CA 3.3Å; L38-V46 HydrophobicContact CB-CB 4.34Å; L38-V46 HydrophobicContact CD2-CG2 4.41Å; L38-V46 PolarHBondContact N-O 3.41Å; L38-V46 PolarHBondContact O-N 2.98Å; L38-K52 HydrophobicContact CB-CB 4.45Å; L38-K52 HydrophobicContact CB-CD 3.76Å; L38-K52 HydrophobicContact CB-CG 3.73Å; L38-K52 HydrophobicContact CD1-CB 4.41Å; L38-Y55 HydrophobicContact CD1-CD1 4.37Å; L38-Y55 HydrophobicContact CD2-CD1 3.8Å; L38-Y55 HydrophobicContact CD2-CE1 3.93Å; L38-I56 HydrophobicContact CD1-CD1 3.97Å; L38-I56 HydrophobicContact CD1-CG1 4.06Å
39V96.2Very high94.8Very high101 Ų10178.4 Ų78.461%0.61245%0.449SS*.EExtended strand (participates in β ladder)trans-114115.7-179.2-178.20000109.7V37 A45V37-V39 HydrophobicContact CG1-CG2 3.93Å; V39-A45 HydrophobicContact CG2-CB 4.31Å
40H93.2Very high94.9Very high78 Ų7881.8 Ų81.836%0.36146%0.462SS..EExtended strand (participates in β ladder)trans-91.7101.9165.1-168.9157.2000107.9G42 K43 E44 Y55H40-G42 PolarHBondContact O-N 2.83Å; H40-K43 HydrophobicContact CB-CB 4.16Å; H40-K43 PolarHBondContact O-N 2.94Å; H40-E44 PolarHBondContact N-O 2.92Å; H40-E44 PolarHBondContact O-N 2.71Å; H40-E44 VanDerWaalsContact O-N 3.15Å; H40-Y55 AromaticContact ND1-CZ 3.96Å; H40-Y55 PolarHBondContact ND1-OH 2.84Å
41K92.4Very high95Very high198 Ų19883.3 Ų83.386%0.86146%0.455SS*.THydrogen-bonded Turntrans-51.1126.7-175.3-175.2178.6179.5179.90111.8K43K41-K43 PolarHBondContact O-N 3.42Å
42G93.4Very high95.1Very high91 Ų9180.1 Ų80.194%0.93844%0.443SS*.THydrogen-bonded Turntrans77.33.2178.600000114.9H40H40-G42 PolarHBondContact O-N 2.83Å
43K93.1Very high95.2Very high139 Ų13978.6 Ų78.660%0.60444%0.438SS*.THydrogen-bonded Turntrans-122.6-68.2-179.5-169.1178178.8-176.40112.3H40 K41H40-K43 HydrophobicContact CB-CB 4.16Å; H40-K43 PolarHBondContact O-N 2.94Å; K41-K43 PolarHBondContact O-N 3.42Å
44E95.3Very high95.3Very high81 Ų8174.8 Ų74.838%0.37942%0.424SS..EExtended strand (participates in β ladder)trans-160.8165.4-173.968.3-154.3119.600112.8H40 V46 Y55H40-E44 PolarHBondContact N-O 2.92Å; H40-E44 PolarHBondContact O-N 2.71Å; H40-E44 VanDerWaalsContact O-N 3.15Å; E44-V46 HydrophobicContact CG-CG2 4.17Å; E44-Y55 HydrophobicContact CG-CE2 4.14Å; E44-Y55 WeakPolarHBondContact OE1-CE2 3.41Å; E44-Y55 VanDerWaalsContact OE1-CZ 3.28Å; E44-Y55 PolarHBondContact OE1-OH 2.97Å
45A96.9Very high95.3Very high44 Ų4472.2 Ų72.236%0.36440%0.402SS..EExtended strand (participates in β ladder)trans-120.513416800000109.1V37 L38 V39 Y47V37-A45 HydrophobicContact CG1-CB 4.11Å; L38-A45 CarbonylContact O-C 3.58Å; L38-A45 WeakPolarHBondContact O-CA 3.3Å; V39-A45 HydrophobicContact CG2-CB 4.31Å; A45-Y47 HydrophobicContact CB-CE2 3.94Å
46V97.4Very high95.2Very high15 Ų1569 Ų699%0.09138%0.377CS..EExtended strand (participates in β ladder)trans-115.7127.9-174.6-171.70000109.5L38 E44 D51 K52 Y55L38-V46 HydrophobicContact CB-CB 4.34Å; L38-V46 HydrophobicContact CD2-CG2 4.41Å; L38-V46 PolarHBondContact N-O 3.41Å; L38-V46 PolarHBondContact O-N 2.98Å; E44-V46 HydrophobicContact CG-CG2 4.17Å; V46-D51 HydrophobicContact CG1-CB 3.68Å; V46-K52 HydrophobicContact CB-CG 4.26Å; V46-K52 HydrophobicContact CG1-CG 4.02Å; V46-Y55 HydrophobicContact CG2-CD2 3.97Å; V46-Y55 HydrophobicContact CG2-CE2 4.41Å; V46-Y55 HydrophobicContact CG2-CG 4.04Å
47Y96.5Very high95.1Very high153 Ų15368.4 Ų68.460%0.637%0.37SS*.EExtended strand (participates in β ladder)trans-115.9151.2-175.4-60.4-93.9000110.3V37 A45 D51V37-Y47 HydrophobicContact CB-CE1 4.35Å; V37-Y47 HydrophobicContact CG1-CD1 4.16Å; V37-Y47 HydrophobicContact CG1-CE1 3.82Å; V37-Y47 HydrophobicContact CG1-CE2 4.5Å; V37-Y47 HydrophobicContact CG2-CD1 3.69Å; V37-Y47 HydrophobicContact CG2-CE1 3.53Å; A45-Y47 HydrophobicContact CB-CE2 3.94Å; Y47-D51 WeakPolarHBondContact O-CB 3.47Å
48G96.6Very high94.9Very high34 Ų3471.5 Ų71.535%0.35138%0.378SS..SBendtrans79.4143.4-175.900000112.4K52G48-K52 VanDerWaalsContact O-CG 3.3Å; G48-K52 WeakPolarHBondContact O-CG 2.98Å; G48-K52 PolarHBondContact O-N 3.28Å; G48-K52 PolarHBondContact O-NZ 2.96Å
49N96.1Very high94.5Very high31 Ų3174.5 Ų74.517%0.16639%0.39CS..Hα-helixtrans-70.7-44.4-169.5-71.22.8000112.2E29 Y32 H33 D51 K52 S53E29-N49 HydrophobicContact CG-CB 3.63Å; Y32-N49 WeakPolarHBondContact CB-OD1 3.47Å; Y32-N49 PolarHBondContact O-ND2 3.26Å; H33-N49 PolarHBondContact O-OD1 2.84Å; N49-D51 VanDerWaalsContact C-N 3.31Å; N49-D51 PolarHBondContact O-N 3.48Å; N49-K52 WeakPolarHBondContact O-CB 3.34Å; N49-K52 PolarHBondContact O-N 2.98Å; N49-K52 VanDerWaalsContact O-N 3.16Å; N49-K52 WeakPolarHBondContact OD1-CE 3.02Å; N49-K52 PolarHBondContact OD1-NZ 3.38Å; N49-S53 PolarHBondContact O-N 3.06Å; N49-S53 PolarHBondContact O-OG 3.18Å
50K95.7Very high94.1Very high138 Ų13870 Ų7060%0.636%0.364SS*.Hα-helixtrans-57.5-41.1176.6-174.1174.1-178.2176.40113.3S53 T54K50-S53 PolarHBondContact O-OG 3.33Å; K50-T54 VanDerWaalsContact O-CB 3.23Å; K50-T54 WeakPolarHBondContact O-CB 3.38Å; K50-T54 PolarHBondContact O-N 3.34Å; K50-T54 PolarHBondContact O-OG1 3.48Å
51D96.1Very high93.9Very high97 Ų9772.8 Ų72.852%0.51938%0.377SS..Hα-helixtrans-71.5-34.9179.8-67.6-9.3000110.9V46 Y47 N49 Y55V46-D51 HydrophobicContact CG1-CB 3.68Å; Y47-D51 WeakPolarHBondContact O-CB 3.47Å; N49-D51 VanDerWaalsContact C-N 3.31Å; N49-D51 PolarHBondContact O-N 3.48Å; D51-Y55 VanDerWaalsContact O-CB 3.27Å; D51-Y55 WeakPolarHBondContact O-CB 3.4Å; D51-Y55 PolarHBondContact O-N 2.91Å
52K95.9Very high93.6Very high0 Ų066.1 Ų66.10%036%0.364CS..Hα-helixtrans-64.3-47.1173.5-69.4-175.6-64.4-78.80112.2Y32 G36 L38 V46 G48 N49 Y55 I56Y32-K52 HydrophobicContact CD1-CD 3.96Å; Y32-K52 HydrophobicContact CD2-CB 3.92Å; Y32-K52 HydrophobicContact CD2-CD 4.3Å; Y32-K52 HydrophobicContact CE1-CD 4.21Å; Y32-K52 HydrophobicContact CE2-CB 3.7Å; Y32-K52 HydrophobicContact CG-CB 4.49Å; Y32-K52 HydrophobicContact CG-CD 4.02Å; G36-K52 PolarHBondContact O-NZ 3.3Å; L38-K52 HydrophobicContact CB-CB 4.45Å; L38-K52 HydrophobicContact CB-CD 3.76Å; L38-K52 HydrophobicContact CB-CG 3.73Å; L38-K52 HydrophobicContact CD1-CB 4.41Å; V46-K52 HydrophobicContact CB-CG 4.26Å; V46-K52 HydrophobicContact CG1-CG 4.02Å; G48-K52 VanDerWaalsContact O-CG 3.3Å; G48-K52 WeakPolarHBondContact O-CG 2.98Å; G48-K52 PolarHBondContact O-N 3.28Å; G48-K52 PolarHBondContact O-NZ 2.96Å; N49-K52 WeakPolarHBondContact O-CB 3.34Å; N49-K52 PolarHBondContact O-N 2.98Å; N49-K52 VanDerWaalsContact O-N 3.16Å; N49-K52 WeakPolarHBondContact OD1-CE 3.02Å; N49-K52 PolarHBondContact OD1-NZ 3.38Å; K52-Y55 WeakPolarHBondContact O-CB 3.3Å; K52-Y55 PolarHBondContact O-N 3.28Å; K52-I56 PolarHBondContact O-N 3.12Å
53S94.9Very high93.3Very high5 Ų562.3 Ų62.34%0.03532%0.322CS..Hα-helixtrans-64.8-42.4176.459.10000111.3N49 K50 Y55 I56 A57N49-S53 PolarHBondContact O-N 3.06Å; N49-S53 PolarHBondContact O-OG 3.18Å; K50-S53 PolarHBondContact O-OG 3.33Å; S53-Y55 VanDerWaalsContact C-N 3.29Å; S53-Y55 PolarHBondContact O-N 3.22Å; S53-I56 PolarHBondContact O-N 3.39Å; S53-A57 WeakPolarHBondContact O-CB 3.49Å; S53-A57 PolarHBondContact O-N 2.92Å
54T95.5Very high92.9Very high51 Ų5155.9 Ų55.931%0.31330%0.296SS..Hα-helixtrans-61.2-37.5174.8-59.10000112K50 A57 K58K50-T54 VanDerWaalsContact O-CB 3.23Å; K50-T54 WeakPolarHBondContact O-CB 3.38Å; K50-T54 PolarHBondContact O-N 3.34Å; K50-T54 PolarHBondContact O-OG1 3.48Å; T54-A57 PolarHBondContact O-N 3.41Å; T54-K58 HydrophobicContact CG2-CD 4.3Å; T54-K58 WeakPolarHBondContact O-CG 3.41Å; T54-K58 PolarHBondContact O-N 2.96Å
55Y94.8Very high92.4Very high40 Ų4056.6 Ų56.616%0.15730%0.297CS..Hα-helixtrans-61.2-46.8177.1-174.6-101.1000112L38 H40 E44 V46 D51 K52 S53 K58 F59L38-Y55 HydrophobicContact CD1-CD1 4.37Å; L38-Y55 HydrophobicContact CD2-CD1 3.8Å; L38-Y55 HydrophobicContact CD2-CE1 3.93Å; H40-Y55 AromaticContact ND1-CZ 3.96Å; H40-Y55 PolarHBondContact ND1-OH 2.84Å; E44-Y55 HydrophobicContact CG-CE2 4.14Å; E44-Y55 WeakPolarHBondContact OE1-CE2 3.41Å; E44-Y55 VanDerWaalsContact OE1-CZ 3.28Å; E44-Y55 PolarHBondContact OE1-OH 2.97Å; V46-Y55 HydrophobicContact CG2-CD2 3.97Å; V46-Y55 HydrophobicContact CG2-CE2 4.41Å; V46-Y55 HydrophobicContact CG2-CG 4.04Å; D51-Y55 VanDerWaalsContact O-CB 3.27Å; D51-Y55 WeakPolarHBondContact O-CB 3.4Å; D51-Y55 PolarHBondContact O-N 2.91Å; K52-Y55 WeakPolarHBondContact O-CB 3.3Å; K52-Y55 PolarHBondContact O-N 3.28Å; S53-Y55 VanDerWaalsContact C-N 3.29Å; S53-Y55 PolarHBondContact O-N 3.22Å; Y55-K58 PolarHBondContact O-N 3.19Å; Y55-F59 PolarHBondContact O-N 3.39Å
56I91.5Very high91.9Very high29 Ų2955.4 Ų55.415%0.14929%0.286CS..Hα-helixtrans-68-41.3177.9-62.3177.2000110.4I20 W25 Y32 L38 K52 S53 K58 F59 A60I20-I56 HydrophobicContact CD1-CD1 4.46Å; I20-I56 HydrophobicContact CD1-CG2 4.43Å; I20-I56 HydrophobicContact CG2-CG2 4.2Å; W25-I56 HydrophobicContact CH2-CG2 4.23Å; W25-I56 HydrophobicContact CZ3-CB 4.36Å; W25-I56 HydrophobicContact CZ3-CG2 3.74Å; Y32-I56 WeakPolarHBondContact OH-CD1 3.37Å; L38-I56 HydrophobicContact CD1-CD1 3.97Å; L38-I56 HydrophobicContact CD1-CG1 4.06Å; K52-I56 PolarHBondContact O-N 3.12Å; S53-I56 PolarHBondContact O-N 3.39Å; I56-K58 VanDerWaalsContact C-N 3.34Å; I56-K58 PolarHBondContact O-N 3.12Å; I56-F59 WeakPolarHBondContact O-CA 3.27Å; I56-F59 VanDerWaalsContact O-CB 3.31Å; I56-F59 WeakPolarHBondContact O-CB 3.31Å; I56-F59 PolarHBondContact O-N 2.98Å; I56-A60 PolarHBondContact O-N 3.2Å
57A93.1Very high91.4Very high10 Ų1059 Ų598%0.08331%0.308CS..Hα-helixtrans-58.3-44.8176.200000112W25 S53 T54 F59 A60 E61W25-A57 HydrophobicContact CD2-CB 3.7Å; W25-A57 HydrophobicContact CE3-CB 4.13Å; W25-A57 HydrophobicContact CG-CB 4.11Å; W25-A57 HydrophobicContact CH2-CB 4.39Å; W25-A57 HydrophobicContact CZ2-CB 3.95Å; W25-A57 HydrophobicContact CZ3-CB 4.46Å; S53-A57 WeakPolarHBondContact O-CB 3.49Å; S53-A57 PolarHBondContact O-N 2.92Å; T54-A57 PolarHBondContact O-N 3.41Å; A57-F59 VanDerWaalsContact C-N 3.27Å; A57-F59 PolarHBondContact O-N 3.35Å; A57-A60 WeakPolarHBondContact O-CB 3.38Å; A57-A60 PolarHBondContact O-N 3Å; A57-A60 VanDerWaalsContact O-N 3.15Å; A57-E61 WeakPolarHBondContact O-CG 3.4Å; A57-E61 PolarHBondContact O-N 3.21Å
58K92.2Very high90.9Very high133 Ų13353 Ų5358%0.57829%0.293SS*.Hα-helixtrans-61.6-34.9174.8-76175178.6175.80112.8T54 Y55 I56 G62T54-K58 HydrophobicContact CG2-CD 4.3Å; T54-K58 WeakPolarHBondContact O-CG 3.41Å; T54-K58 PolarHBondContact O-N 2.96Å; Y55-K58 PolarHBondContact O-N 3.19Å; I56-K58 VanDerWaalsContact C-N 3.34Å; I56-K58 PolarHBondContact O-N 3.12Å; K58-G62 PolarHBondContact O-N 3.37Å; K58-G62 VanDerWaalsContact O-N 3.12Å
59F86.7Confident90.7Very high96 Ų9655 Ų5542%0.42130%0.298SS..Hα-helixtrans-63.9-48.8174.1-167.8-92.6000110.2Y55 I56 A57 G62 T63 V98Y55-F59 PolarHBondContact O-N 3.39Å; I56-F59 WeakPolarHBondContact O-CA 3.27Å; I56-F59 VanDerWaalsContact O-CB 3.31Å; I56-F59 WeakPolarHBondContact O-CB 3.31Å; I56-F59 PolarHBondContact O-N 2.98Å; A57-F59 VanDerWaalsContact C-N 3.27Å; A57-F59 PolarHBondContact O-N 3.35Å; F59-G62 PolarHBondContact O-N 2.98Å; F59-T63 HydrophobicContact CD1-CG2 4.16Å; F59-T63 HydrophobicContact CE1-CG2 3.78Å; F59-T63 HydrophobicContact CE2-CG2 4.49Å; F59-T63 HydrophobicContact CZ-CG2 3.96Å; F59-T63 WeakPolarHBondContact O-CG2 3.43Å; F59-T63 PolarHBondContact O-N 2.84Å; F59-T63 PolarHBondContact O-OG1 2.99Å; F59-T63 VanDerWaalsContact O-OG1 3.05Å; F59-V98 HydrophobicContact CE1-CG1 4.38Å; F59-V98 HydrophobicContact CZ-CG1 4.02Å; F59-V98 HydrophobicContact CZ-CG2 4.43Å
60A87.8Confident90.6Very high8 Ų856.1 Ų56.17%0.06631%0.306CS..Hα-helixtrans-60.7-44176.400000112.7W25 I56 A57 G62 T63 G64W25-A60 HydrophobicContact CH2-CB 3.83Å; W25-A60 HydrophobicContact CZ2-CB 3.88Å; I56-A60 PolarHBondContact O-N 3.2Å; A57-A60 WeakPolarHBondContact O-CB 3.38Å; A57-A60 PolarHBondContact O-N 3Å; A57-A60 VanDerWaalsContact O-N 3.15Å; A60-G62 VanDerWaalsContact C-N 3.29Å; A60-G62 PolarHBondContact O-N 2.79Å; A60-T63 PolarHBondContact O-N 3.48Å; A60-G64 CarbonylContact O-C 3.54Å; A60-G64 VanDerWaalsContact O-C 3.28Å; A60-G64 VanDerWaalsContact O-CA 3.23Å; A60-G64 WeakPolarHBondContact O-CA 3.35Å; A60-G64 PolarHBondContact O-N 2.79Å; A60-G64 VanDerWaalsContact O-O 3.11Å
61E89.5Confident90.4Very high136 Ų13653 Ų5364%0.63630%0.299SS*.Hα-helixtrans-57.2-43.1175.5-74.6174.8179.300112.1A57 K94A57-E61 WeakPolarHBondContact O-CG 3.4Å; A57-E61 PolarHBondContact O-N 3.21Å; E61-K94 PolarHBondContact O-NZ 3.19Å
62G86.7Confident90.3Very high57 Ų5754.5 Ų54.559%0.58831%0.307SS*.Hα-helixtrans-70.4-39-179.900000113.5K58 F59 A60K58-G62 PolarHBondContact O-N 3.37Å; K58-G62 VanDerWaalsContact O-N 3.12Å; F59-G62 PolarHBondContact O-N 2.98Å; A60-G62 VanDerWaalsContact C-N 3.29Å; A60-G62 PolarHBondContact O-N 2.79Å
63T86.5Confident90.2Very high12 Ų1256.5 Ų56.57%0.07432%0.323CS..Hα-helixtrans-91.2-11-179.5610000113.8F59 A60 T92 K94 A95F59-T63 HydrophobicContact CD1-CG2 4.16Å; F59-T63 HydrophobicContact CE1-CG2 3.78Å; F59-T63 HydrophobicContact CE2-CG2 4.49Å; F59-T63 HydrophobicContact CZ-CG2 3.96Å; F59-T63 WeakPolarHBondContact O-CG2 3.43Å; F59-T63 PolarHBondContact O-N 2.84Å; F59-T63 PolarHBondContact O-OG1 2.99Å; F59-T63 VanDerWaalsContact O-OG1 3.05Å; A60-T63 PolarHBondContact O-N 3.48Å; T63-T92 WeakPolarHBondContact O-CB 3.23Å; T63-T92 PolarHBondContact O-OG1 3.11Å; T63-K94 WeakPolarHBondContact O-CA 3.48Å; T63-K94 VanDerWaalsContact O-CB 3.25Å; T63-K94 WeakPolarHBondContact O-CB 3.31Å; T63-K94 PolarHBondContact O-N 3.48Å; T63-A95 HydrophobicContact CG2-CB 3.99Å
64G85.3Confident90.2Very high4 Ų461.4 Ų61.44%0.04134%0.344CS..  trans75.6172.9-165.400000111.9A60 S66A60-G64 CarbonylContact O-C 3.54Å; A60-G64 VanDerWaalsContact O-C 3.28Å; A60-G64 VanDerWaalsContact O-CA 3.23Å; A60-G64 WeakPolarHBondContact O-CA 3.35Å; A60-G64 PolarHBondContact O-N 2.79Å; A60-G64 VanDerWaalsContact O-O 3.11Å; G64-S66 PolarHBondContact O-N 2.96Å
65K84.6Confident90Very high96 Ų9659.6 Ų59.642%0.41733%0.332SS..SBendtrans-55142.4-178.3-172.9174.3-178.51730109.3D21 E93D21-K65 WeakPolarHBondContact O-CE 3.4Å; K65-E93 HydrophobicContact CB-CG 4.33Å; K65-E93 PolarHBondContact N-OE2 3.16Å; K65-E93 VanDerWaalsContact N-OE2 3.15Å; K65-E93 WeakPolarHBondContact O-CG 3.49Å; K65-E93 PolarHBondContact O-N 3.03Å; K65-E93 VanDerWaalsContact O-N 3.11Å
66S86.4Confident89.8Confident19 Ų1961.2 Ų61.213%0.13334%0.341CS..EExtended strand (participates in β ladder)trans-134.6149.1-17971.10000112.2G64 E91G64-S66 PolarHBondContact O-N 2.96Å; S66-E91 WeakPolarHBondContact CA-O 3.42Å; S66-E91 WeakPolarHBondContact CB-O 3.31Å
67V87.3Confident89.6Confident91 Ų9161.1 Ų61.155%0.55235%0.346SS*.EExtended strand (participates in β ladder)trans-113.6117167.4179.90000108S90 E91V67-S90 WeakPolarHBondContact O-CA 3.49Å; V67-E91 PolarHBondContact N-O 3.36Å; V67-E91 PolarHBondContact O-N 2.99Å
68G86.5Confident89Confident27 Ų2763.1 Ų63.128%0.27836%0.36SS..EExtended strand (participates in β ladder)trans-84.7142.9-18000000113.1D21D21-G68 PolarHBondContact OD1-N 3.5Å
69T91.8Very high88.5Confident75 Ų7560.6 Ų60.646%0.4637%0.372SS..EExtended strand (participates in β ladder)trans-121.1138.5164.755.30000109.4F88 S89T69-F88 CarbonylContact O-C 3.28Å; T69-F88 VanDerWaalsContact O-CA 3.31Å; T69-F88 WeakPolarHBondContact O-CA 3.2Å; T69-S89 PolarHBondContact N-O 2.9Å; T69-S89 PolarHBondContact O-N 3.3Å; T69-S89 PolarHBondContact OG1-O 3.29Å
70T93.1Very high88.5Confident54 Ų5464.3 Ų64.333%0.33140%0.396SS..EExtended strand (participates in β ladder)trans-110.4129.7177.1-58.50000109.3F13 A73 A86 D87 F102F13-T70 HydrophobicContact CE1-CG2 4.1Å; F13-T70 HydrophobicContact CZ-CG2 4.31Å; T70-A73 HydrophobicContact CG2-CB 4.28Å; T70-A86 HydrophobicContact CG2-CB 3.24Å; T70-D87 CarbonylContact C-O 3.57Å; T70-D87 WeakPolarHBondContact CA-O 3.27Å; T70-F102 HydrophobicContact CG2-CE1 4.1Å; T70-F102 HydrophobicContact CG2-CZ 4.11Å
71T92.9Very high88.5Confident72 Ų7269.3 Ų69.344%0.44241%0.414SS..EExtended strand (participates in β ladder)trans-130.7162.9-179.659.50000110.6A73 D87T71-A73 PolarHBondContact O-N 2.82Å; T71-D87 PolarHBondContact N-O 2.77Å; T71-D87 PolarHBondContact O-N 3.46Å
72N93.8Very high88.6Confident130 Ų13065.4 Ų65.470%0.69540%0.397SS*.EExtended strand (participates in β ladder)trans5232.1-177.7-55.8-38.4000113.3K74 D87N72-K74 PolarHBondContact O-N 3.04Å; N72-D87 PolarHBondContact ND2-OD2 3.05Å
73A93.3Very high88.9Confident41 Ų4164.1 Ų64.134%0.33938%0.377SS..EExtended strand (participates in β ladder)trans-66.7127.1-177.800000110.4T70 T71 Y75 T85 A86T70-A73 HydrophobicContact CG2-CB 4.28Å; T71-A73 PolarHBondContact O-N 2.82Å; A73-Y75 HydrophobicContact CB-CE2 3.73Å; A73-T85 WeakPolarHBondContact CA-O 3.39Å; A73-A86 HydrophobicContact CB-CB 3.94Å
74K94.1Very high89.3Confident109 Ų10963.6 Ų63.647%0.47437%0.373SS..EExtended strand (participates in β ladder)trans-117.9122.6173.9-170.4-172.8179.8-150.40108.4N72 E76 I84 T85N72-K74 PolarHBondContact O-N 3.04Å; K74-E76 HydrophobicContact CD-CG 4.23Å; K74-E76 WeakPolarHBondContact CD-OE2 3.42Å; K74-E76 VanDerWaalsContact CE-OE1 3.26Å; K74-E76 WeakPolarHBondContact CE-OE1 3.43Å; K74-E76 WeakPolarHBondContact CE-OE2 3.49Å; K74-E76 HydrophobicContact CG-CG 4.09Å; K74-E76 IonicContact NZ-OE1 2.72Å; K74-E76 PolarHBondContact NZ-OE1 3.12Å; K74-E76 IonicContact NZ-OE2 2.68Å; K74-E76 PolarHBondContact NZ-OE2 3.15Å; K74-I84 WeakPolarHBondContact O-CA 3.42Å; K74-T85 PolarHBondContact N-O 3.24Å; K74-T85 PolarHBondContact O-N 3.32Å
75Y92.3Very high89.8Confident13 Ų1364.4 Ų64.45%0.05138%0.377CS..EExtended strand (participates in β ladder)trans-106.9126.8177.2-58.9-93000109.7E6 L9 K10 A73 I83 I84E6-Y75 HydrophobicContact CB-CD2 3.85Å; E6-Y75 HydrophobicContact CB-CG 3.82Å; E6-Y75 HydrophobicContact CG-CD2 3.53Å; E6-Y75 HydrophobicContact CG-CE2 3.86Å; E6-Y75 HydrophobicContact CG-CG 3.94Å; L9-Y75 HydrophobicContact CB-CD1 4.06Å; L9-Y75 HydrophobicContact CB-CE1 4.42Å; L9-Y75 HydrophobicContact CD2-CD1 4.09Å; L9-Y75 HydrophobicContact CG-CD1 4.26Å; L9-Y75 HydrophobicContact CG-CE1 4.42Å; K10-Y75 HydrophobicContact CB-CE1 3.99Å; A73-Y75 HydrophobicContact CB-CE2 3.73Å; Y75-I83 WeakPolarHBondContact CA-O 3.45Å; Y75-I84 HydrophobicContact CD1-CB 4.23Å; Y75-I84 HydrophobicContact CD1-CD1 4.34Å; Y75-I84 HydrophobicContact CD1-CG1 4.23Å; Y75-I84 HydrophobicContact CE1-CB 4.26Å; Y75-I84 HydrophobicContact CE1-CD1 3.56Å; Y75-I84 HydrophobicContact CE1-CG1 3.94Å
76E91.4Very high90.3Very high74 Ų7459.9 Ų59.935%0.34636%0.358SS..EExtended strand (participates in β ladder)trans-132.8142.3-177.8-59.1-175.893.700109.7K74 L82 I83K74-E76 HydrophobicContact CD-CG 4.23Å; K74-E76 WeakPolarHBondContact CD-OE2 3.42Å; K74-E76 VanDerWaalsContact CE-OE1 3.26Å; K74-E76 WeakPolarHBondContact CE-OE1 3.43Å; K74-E76 WeakPolarHBondContact CE-OE2 3.49Å; K74-E76 HydrophobicContact CG-CG 4.09Å; K74-E76 IonicContact NZ-OE1 2.72Å; K74-E76 PolarHBondContact NZ-OE1 3.12Å; K74-E76 IonicContact NZ-OE2 2.68Å; K74-E76 PolarHBondContact NZ-OE2 3.15Å; E76-L82 CarbonylContact O-C 3.58Å; E76-L82 WeakPolarHBondContact O-CA 3.42Å; E76-I83 HydrophobicContact CB-CB 4.43Å; E76-I83 PolarHBondContact N-O 2.94Å; E76-I83 PolarHBondContact O-N 3.32Å
77G86.3Confident90.8Very high26 Ų2661.2 Ų61.227%0.26836%0.364SS..EExtended strand (participates in β ladder)trans-112.1133.9168.600000109
78S80.3Confident91Very high52 Ų5259.9 Ų59.936%0.36435%0.351SS..EExtended strand (participates in β ladder)trans-139.8106.4177.7176.70000109.2D80 Y81S78-D80 PolarHBondContact O-N 3.05Å; S78-Y81 PolarHBondContact N-O 3.39Å; S78-Y81 WeakPolarHBondContact O-CD1 3.31Å; S78-Y81 WeakPolarHBondContact O-CE1 3.34Å; S78-Y81 VanDerWaalsContact O-CZ 3.3Å; S78-Y81 PolarHBondContact O-N 3.29Å; S78-Y81 PolarHBondContact OG-OH 2.83Å
79G81.7Confident91.3Very high81 Ų8159.8 Ų59.884%0.83535%0.345SS*.THydrogen-bonded Turntrans55.5-113.7-175.300000111.3
80D87.1Confident91.2Very high174 Ų17457.1 Ų57.193%0.9333%0.33SS*.THydrogen-bonded Turntrans-94.14.7-172.9-55.8-42.5000114.3S78S78-D80 PolarHBondContact O-N 3.05Å
81Y88.3Confident91.1Very high113 Ų11359.8 Ų59.844%0.44334%0.339SS..EExtended strand (participates in β ladder)trans-131.3149.5-176.449.4-87.3000113.1S78 I83 I105S78-Y81 PolarHBondContact N-O 3.39Å; S78-Y81 WeakPolarHBondContact O-CD1 3.31Å; S78-Y81 WeakPolarHBondContact O-CE1 3.34Å; S78-Y81 VanDerWaalsContact O-CZ 3.3Å; S78-Y81 PolarHBondContact O-N 3.29Å; S78-Y81 PolarHBondContact OG-OH 2.83Å; Y81-I83 HydrophobicContact CD2-CD1 3.91Å; Y81-I83 HydrophobicContact CD2-CG1 3.92Å; Y81-I83 HydrophobicContact CE2-CD1 3.85Å; Y81-I83 HydrophobicContact CE2-CG1 4.38Å; Y81-I105 HydrophobicContact CD2-CG2 3.87Å; Y81-I105 HydrophobicContact CG-CG2 4.17Å
82L91.8Very high90.9Very high54 Ų5456.9 Ų56.928%0.28332%0.321SS..EExtended strand (participates in β ladder)trans-108.9138174.4-59.2179.4000108.5A5 L8 L9 E76 I105A5-L82 HydrophobicContact CB-CD2 3.86Å; L8-L82 HydrophobicContact CB-CD1 3.97Å; L9-L82 HydrophobicContact CB-CD1 4.16Å; L9-L82 HydrophobicContact CD2-CB 4Å; E76-L82 CarbonylContact O-C 3.58Å; E76-L82 WeakPolarHBondContact O-CA 3.42Å; L82-I105 VanDerWaalsContact O-OXT 3.1Å
83I93.2Very high90.6Very high30 Ų3057.5 Ų57.515%0.15432%0.32CS..EExtended strand (participates in β ladder)trans-121.2134.3-177.4-55.2174.2000108.4Y75 E76 Y81 V103 Q104 I105Y75-I83 WeakPolarHBondContact CA-O 3.45Å; E76-I83 HydrophobicContact CB-CB 4.43Å; E76-I83 PolarHBondContact N-O 2.94Å; E76-I83 PolarHBondContact O-N 3.32Å; Y81-I83 HydrophobicContact CD2-CD1 3.91Å; Y81-I83 HydrophobicContact CD2-CG1 3.92Å; Y81-I83 HydrophobicContact CE2-CD1 3.85Å; Y81-I83 HydrophobicContact CE2-CG1 4.38Å; I83-V103 HydrophobicContact CG2-CG1 4Å; I83-Q104 VanDerWaalsContact CA-O 3.32Å; I83-Q104 WeakPolarHBondContact CA-O 3.39Å; I83-Q104 WeakPolarHBondContact CG2-O 3.46Å; I83-I105 HydrophobicContact CG1-CG1 4.17Å; I83-I105 HydrophobicContact CG1-CG2 4.12Å; I83-I105 HydrophobicContact CG2-CG1 4.36Å
84I94.3Very high90.4Very high1 Ų162.5 Ų62.51%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-114.6130162.2-177.7178.3000109.3L9 F13 K74 Y75 A86 F102 V103 Q104L9-I84 HydrophobicContact CD2-CB 3.81Å; L9-I84 HydrophobicContact CD2-CG2 3.99Å; F13-I84 HydrophobicContact CD1-CD1 3.86Å; F13-I84 HydrophobicContact CD2-CD1 3.86Å; F13-I84 HydrophobicContact CD2-CG2 4.37Å; F13-I84 HydrophobicContact CE1-CD1 4.02Å; F13-I84 HydrophobicContact CE2-CD1 4.03Å; F13-I84 HydrophobicContact CG-CD1 3.78Å; F13-I84 HydrophobicContact CZ-CD1 4.12Å; K74-I84 WeakPolarHBondContact O-CA 3.42Å; Y75-I84 HydrophobicContact CD1-CB 4.23Å; Y75-I84 HydrophobicContact CD1-CD1 4.34Å; Y75-I84 HydrophobicContact CD1-CG1 4.23Å; Y75-I84 HydrophobicContact CE1-CB 4.26Å; Y75-I84 HydrophobicContact CE1-CD1 3.56Å; Y75-I84 HydrophobicContact CE1-CG1 3.94Å; I84-A86 HydrophobicContact CG1-CB 4.46Å; I84-F102 HydrophobicContact CD1-CE2 4.18Å; I84-F102 HydrophobicContact CD1-CZ 4.12Å; I84-F102 HydrophobicContact CG1-CE2 4.21Å; I84-F102 HydrophobicContact CG1-CZ 4.48Å; I84-F102 HydrophobicContact CG2-CE2 3.98Å; I84-V103 CarbonylContact O-C 3.56Å; I84-V103 WeakPolarHBondContact O-CA 3.39Å; I84-Q104 HydrophobicContact CG2-CB 3.72Å; I84-Q104 PolarHBondContact N-O 3.11Å; I84-Q104 PolarHBondContact O-N 3.31Å
85T95.5Very high90Very high20 Ų2060.2 Ų60.212%0.12334%0.335CS..EExtended strand (participates in β ladder)trans-119.4127.3166-600000108.2A73 K74 F102 V103A73-T85 WeakPolarHBondContact CA-O 3.39Å; K74-T85 PolarHBondContact N-O 3.24Å; K74-T85 PolarHBondContact O-N 3.32Å; T85-F102 WeakPolarHBondContact CA-O 3.38Å; T85-V103 HydrophobicContact CG2-CG2 4.01Å
86A95.8Very high89.9Confident2 Ų261.3 Ų61.32%0.01735%0.351CS..EExtended strand (participates in β ladder)trans-155.3164.517900000112.5T70 A73 I84 R101 F102T70-A86 HydrophobicContact CG2-CB 3.24Å; A73-A86 HydrophobicContact CB-CB 3.94Å; I84-A86 HydrophobicContact CG1-CB 4.46Å; A86-R101 WeakPolarHBondContact O-CA 3.38Å; A86-R101 WeakPolarHBondContact O-CG 3.4Å; A86-F102 HydrophobicContact CB-CE1 3.71Å; A86-F102 HydrophobicContact CB-CE2 4.39Å; A86-F102 HydrophobicContact CB-CZ 3.64Å; A86-F102 PolarHBondContact N-O 2.7Å; A86-F102 VanDerWaalsContact N-O 3.15Å; A86-F102 WeakPolarHBondContact O-CD1 3.15Å; A86-F102 PolarHBondContact O-N 3.15Å
87D96Very high90Very high47 Ų4760.8 Ų60.825%0.25135%0.352SS..EExtended strand (participates in β ladder)trans-94.1136.6169.3-57.8-35000108.7T70 T71 N72 G100 R101T70-D87 CarbonylContact C-O 3.57Å; T70-D87 WeakPolarHBondContact CA-O 3.27Å; T71-D87 PolarHBondContact N-O 2.77Å; T71-D87 PolarHBondContact O-N 3.46Å; N72-D87 PolarHBondContact ND2-OD2 3.05Å; D87-G100 CarbonylContact C-O 3.56Å; D87-G100 WeakPolarHBondContact CA-O 3.44Å; D87-R101 WeakPolarHBondContact OD1-CD 3.18Å; D87-R101 WeakPolarHBondContact OD1-CG 3.39Å
88F92.6Very high90.2Very high63 Ų6361 Ų6128%0.27635%0.349SS..EExtended strand (participates in β ladder)trans-113.2146.1174.478.4-88.8000111.1T69 V98 K99 G100 F102T69-F88 CarbonylContact O-C 3.28Å; T69-F88 VanDerWaalsContact O-CA 3.31Å; T69-F88 WeakPolarHBondContact O-CA 3.2Å; F88-V98 HydrophobicContact CE2-CG1 4.03Å; F88-V98 HydrophobicContact CZ-CG1 4.44Å; F88-K99 VanDerWaalsContact O-CA 3.3Å; F88-K99 WeakPolarHBondContact O-CA 3.25Å; F88-G100 VanDerWaalsContact CD1-C 3.41Å; F88-G100 WeakPolarHBondContact CD1-O 3.44Å; F88-G100 VanDerWaalsContact CE1-C 3.49Å; F88-G100 PolarHBondContact N-O 3.19Å; F88-G100 PolarHBondContact O-N 3.27Å; F88-F102 HydrophobicContact CB-CD1 4.28Å; F88-F102 HydrophobicContact CB-CE1 4.27Å; F88-F102 HydrophobicContact CD1-CD1 4.06Å
89S92.9Very high90.8Very high24 Ų2466 Ų6617%0.16836%0.363CS..EExtended strand (participates in β ladder)trans-135.2118.3169.5-173.60000108.2T69 T97 V98 K99T69-S89 PolarHBondContact N-O 2.9Å; T69-S89 PolarHBondContact O-N 3.3Å; T69-S89 PolarHBondContact OG1-O 3.29Å; S89-T97 VanDerWaalsContact OG-CG2 3.27Å; S89-T97 WeakPolarHBondContact OG-CG2 3.34Å; S89-V98 CarbonylContact C-O 3.6Å; S89-V98 WeakPolarHBondContact CA-O 3.33Å; S89-K99 WeakPolarHBondContact OG-CE 3.48Å
90S89.3Confident91.3Very high19 Ų1963.4 Ų63.413%0.13334%0.337CS..EExtended strand (participates in β ladder)trans-114.9119.6179.3-61.90000109.5V67 T92 T97 V98V67-S90 WeakPolarHBondContact O-CA 3.49Å; S90-T92 PolarHBondContact O-N 2.98Å; S90-T97 WeakPolarHBondContact O-CA 3.23Å; S90-V98 PolarHBondContact N-O 2.77Å; S90-V98 PolarHBondContact O-N 3.24Å
91E89.6Confident91.7Very high110 Ų11063.9 Ų63.951%0.51433%0.326SS..EExtended strand (participates in β ladder)trans-78.4118.2167.7-64.3-59.315600107.8S66 V67 T97S66-E91 WeakPolarHBondContact CA-O 3.42Å; S66-E91 WeakPolarHBondContact CB-O 3.31Å; V67-E91 PolarHBondContact N-O 3.36Å; V67-E91 PolarHBondContact O-N 2.99Å; E91-T97 VanDerWaalsContact CD-OG1 3.22Å; E91-T97 WeakPolarHBondContact OE1-CG2 3.35Å; E91-T97 PolarHBondContact OE1-OG1 2.99Å; E91-T97 PolarHBondContact OE2-OG1 3.4Å
92T88.8Confident92Very high12 Ų1260.3 Ų60.37%0.07431%0.313CS..EExtended strand (participates in β ladder)trans-111.1144.4-176.875.90000110.4T63 S90 K94 A95 G96 V98T63-T92 WeakPolarHBondContact O-CB 3.23Å; T63-T92 PolarHBondContact O-OG1 3.11Å; S90-T92 PolarHBondContact O-N 2.98Å; T92-K94 VanDerWaalsContact C-N 3.29Å; T92-K94 PolarHBondContact O-N 3.47Å; T92-A95 WeakPolarHBondContact OG1-CA 3.26Å; T92-A95 WeakPolarHBondContact OG1-CB 3.5Å; T92-A95 PolarHBondContact OG1-N 2.7Å; T92-G96 WeakPolarHBondContact CB-O 3.39Å; T92-G96 PolarHBondContact N-O 2.83Å; T92-G96 PolarHBondContact OG1-N 3.12Å; T92-G96 PolarHBondContact OG1-O 3.43Å; T92-V98 HydrophobicContact CG2-CB 4.34Å; T92-V98 HydrophobicContact CG2-CG2 3.79Å
93E87.8Confident92.1Very high142 Ų14261.9 Ų61.966%0.66432%0.324SS*.THydrogen-bonded Turntrans-61.6-32.9-178.7-73.3174.1161.600113.9K65K65-E93 HydrophobicContact CB-CG 4.33Å; K65-E93 PolarHBondContact N-OE2 3.16Å; K65-E93 VanDerWaalsContact N-OE2 3.15Å; K65-E93 WeakPolarHBondContact O-CG 3.49Å; K65-E93 PolarHBondContact O-N 3.03Å; K65-E93 VanDerWaalsContact O-N 3.11Å
94K89.8Confident92.1Very high147 Ų14763.6 Ų63.664%0.63933%0.332SS*.THydrogen-bonded Turntrans-114.1-25-170.5-53.9175.5-172.1164.90114.5E61 T63 T92E61-K94 PolarHBondContact O-NZ 3.19Å; T63-K94 WeakPolarHBondContact O-CA 3.48Å; T63-K94 VanDerWaalsContact O-CB 3.25Å; T63-K94 WeakPolarHBondContact O-CB 3.31Å; T63-K94 PolarHBondContact O-N 3.48Å; T92-K94 VanDerWaalsContact C-N 3.29Å; T92-K94 PolarHBondContact O-N 3.47Å
95A86.5Confident92Very high61 Ų6171 Ų7150%0.50437%0.37SS..THydrogen-bonded Turntrans-1124.5-173.600000113.7T63 T92T63-A95 HydrophobicContact CG2-CB 3.99Å; T92-A95 WeakPolarHBondContact OG1-CA 3.26Å; T92-A95 WeakPolarHBondContact OG1-CB 3.5Å; T92-A95 PolarHBondContact OG1-N 2.7Å
96G90.1Very high91.8Very high36 Ų3673.5 Ų73.537%0.37138%0.382SS..EExtended strand (participates in β ladder)trans70-147.4-173.900000111.5T92 V98T92-G96 WeakPolarHBondContact CB-O 3.39Å; T92-G96 PolarHBondContact N-O 2.83Å; T92-G96 PolarHBondContact OG1-N 3.12Å; T92-G96 PolarHBondContact OG1-O 3.43Å; G96-V98 PolarHBondContact O-N 2.95Å
97T92.6Very high91.6Very high63 Ų6377.3 Ų77.339%0.38740%0.401SS..EExtended strand (participates in β ladder)trans-83.6115.5-178.2-39.50000111.7S89 S90 E91 K99S89-T97 VanDerWaalsContact OG-CG2 3.27Å; S89-T97 WeakPolarHBondContact OG-CG2 3.34Å; S90-T97 WeakPolarHBondContact O-CA 3.23Å; E91-T97 VanDerWaalsContact CD-OG1 3.22Å; E91-T97 WeakPolarHBondContact OE1-CG2 3.35Å; E91-T97 PolarHBondContact OE1-OG1 2.99Å; E91-T97 PolarHBondContact OE2-OG1 3.4Å; T97-K99 HydrophobicContact CG2-CD 4.45Å; T97-K99 HydrophobicContact CG2-CG 4.02Å
98V90.1Very high91.3Very high31 Ų3178.9 Ų78.919%0.18841%0.409CS..EExtended strand (participates in β ladder)trans-93.6128.2170.2178.60000108.9F59 F88 S89 S90 T92 G96F59-V98 HydrophobicContact CE1-CG1 4.38Å; F59-V98 HydrophobicContact CZ-CG1 4.02Å; F59-V98 HydrophobicContact CZ-CG2 4.43Å; F88-V98 HydrophobicContact CE2-CG1 4.03Å; F88-V98 HydrophobicContact CZ-CG1 4.44Å; S89-V98 CarbonylContact C-O 3.6Å; S89-V98 WeakPolarHBondContact CA-O 3.33Å; S90-V98 PolarHBondContact N-O 2.77Å; S90-V98 PolarHBondContact O-N 3.24Å; T92-V98 HydrophobicContact CG2-CB 4.34Å; T92-V98 HydrophobicContact CG2-CG2 3.79Å; G96-V98 PolarHBondContact O-N 2.95Å
99K93.4Very high91.3Very high155 Ų15579.9 Ų79.967%0.67442%0.417SS*.EExtended strand (participates in β ladder)trans-123.9149.3177.8-60-176.8-177.9179.10110.8F88 S89 T97F88-K99 VanDerWaalsContact O-CA 3.3Å; F88-K99 WeakPolarHBondContact O-CA 3.25Å; S89-K99 WeakPolarHBondContact OG-CE 3.48Å; T97-K99 HydrophobicContact CG2-CD 4.45Å; T97-K99 HydrophobicContact CG2-CG 4.02Å
100G92Very high91.2Very high28 Ų2883.4 Ų83.429%0.28943%0.433SS..EExtended strand (participates in β ladder)trans-169.6-174.4172.600000112.3D87 F88D87-G100 CarbonylContact C-O 3.56Å; D87-G100 WeakPolarHBondContact CA-O 3.44Å; F88-G100 VanDerWaalsContact CD1-C 3.41Å; F88-G100 WeakPolarHBondContact CD1-O 3.44Å; F88-G100 VanDerWaalsContact CE1-C 3.49Å; F88-G100 PolarHBondContact N-O 3.19Å; F88-G100 PolarHBondContact O-N 3.27Å
101R95.4Very high91.3Very high183 Ų18387.7 Ų87.769%0.69145%0.453SS*.EExtended strand (participates in β ladder)trans-128.9140.2176.8-179.2173.4175.5171.71.4109A86 D87A86-R101 WeakPolarHBondContact O-CA 3.38Å; A86-R101 WeakPolarHBondContact O-CG 3.4Å; D87-R101 WeakPolarHBondContact OD1-CD 3.18Å; D87-R101 WeakPolarHBondContact OD1-CG 3.39Å
102F94.3Very high91.4Very high39 Ų3986.1 Ų86.117%0.17145%0.449CS..EExtended strand (participates in β ladder)trans-130.8160.6179.571.3-92000112.2F13 T70 I84 T85 A86 F88 Q104F13-F102 HydrophobicContact CE1-CZ 4.37Å; F13-F102 AromaticContact CE2-CE2 3.73Å; F13-F102 HydrophobicContact CE2-CE2 3.73Å; F13-F102 AromaticContact CE2-CZ 3.53Å; F13-F102 HydrophobicContact CE2-CZ 3.53Å; F13-F102 HydrophobicContact CZ-CE1 4.16Å; F13-F102 HydrophobicContact CZ-CE2 4.08Å; F13-F102 AromaticContact CZ-CZ 3.37Å; F13-F102 HydrophobicContact CZ-CZ 3.37Å; T70-F102 HydrophobicContact CG2-CE1 4.1Å; T70-F102 HydrophobicContact CG2-CZ 4.11Å; I84-F102 HydrophobicContact CD1-CE2 4.18Å; I84-F102 HydrophobicContact CD1-CZ 4.12Å; I84-F102 HydrophobicContact CG1-CE2 4.21Å; I84-F102 HydrophobicContact CG1-CZ 4.48Å; I84-F102 HydrophobicContact CG2-CE2 3.98Å; T85-F102 WeakPolarHBondContact CA-O 3.38Å; A86-F102 HydrophobicContact CB-CE1 3.71Å; A86-F102 HydrophobicContact CB-CE2 4.39Å; A86-F102 HydrophobicContact CB-CZ 3.64Å; A86-F102 PolarHBondContact N-O 2.7Å; A86-F102 VanDerWaalsContact N-O 3.15Å; A86-F102 WeakPolarHBondContact O-CD1 3.15Å; A86-F102 PolarHBondContact O-N 3.15Å; F88-F102 HydrophobicContact CB-CD1 4.28Å; F88-F102 HydrophobicContact CB-CE1 4.27Å; F88-F102 HydrophobicContact CD1-CD1 4.06Å; F102-Q104 HydrophobicContact CD2-CG 3.98Å; F102-Q104 HydrophobicContact CE2-CG 4.32Å
103V95.1Very high91.6Very high86 Ų8691.8 Ų91.852%0.52148%0.477SS..EExtended strand (participates in β ladder)trans-131.2130.5166.9-178.80000106.7I83 I84 T85 I105I83-V103 HydrophobicContact CG2-CG1 4Å; I84-V103 CarbonylContact O-C 3.56Å; I84-V103 WeakPolarHBondContact O-CA 3.39Å; T85-V103 HydrophobicContact CG2-CG2 4.01Å; V103-I105 HydrophobicContact CG1-CG1 4.23Å
104Q93.3Very high91.9Very high66 Ų6687.6 Ų87.631%0.30846%0.462SS..EExtended strand (participates in β ladder)trans-123.8140.9169.5-68.7175.4-27.200108.7I83 I84 F102I83-Q104 VanDerWaalsContact CA-O 3.32Å; I83-Q104 WeakPolarHBondContact CA-O 3.39Å; I83-Q104 WeakPolarHBondContact CG2-O 3.46Å; I84-Q104 HydrophobicContact CG2-CB 3.72Å; I84-Q104 PolarHBondContact N-O 3.11Å; I84-Q104 PolarHBondContact O-N 3.31Å; F102-Q104 HydrophobicContact CD2-CG 3.98Å; F102-Q104 HydrophobicContact CE2-CG 4.32Å
105I90.7Very high92.1Very high156 Ų15682.2 Ų82.280%0.845%0.446SS*.  trans-129.50-178.8-49.7177000107.1Y81 L82 I83 V103Y81-I105 HydrophobicContact CD2-CG2 3.87Å; Y81-I105 HydrophobicContact CG-CG2 4.17Å; L82-I105 VanDerWaalsContact O-OXT 3.1Å; I83-I105 HydrophobicContact CG1-CG1 4.17Å; I83-I105 HydrophobicContact CG1-CG2 4.12Å; I83-I105 HydrophobicContact CG2-CG1 4.36Å; V103-I105 HydrophobicContact CG1-CG1 4.23Å

Retrieved 105 of 105 residues in 61.5 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).