A0A087YAH8_POEFO Loading...

60S ribosome subunit biogenesis protein NIP7 homolog

Required for proper 34S pre-rRNA processing and 60S ribosome subunit assembly.

AlphaFold DB , UniProt , Accession A0A087YAH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 180 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
1M81.8Confident91.3Very high35 Ų3579.9 Ų79.917%0.17240%0.4CS..  0122.40-59.7-147.9152.800111.1R38 L39 H40 Y45 M47 T55 L63 V66M1-R38 HydrophobicContact CB-CB 4.45Å; M1-R38 HydrophobicContact SD-CB 4.27Å; M1-L39 CarbonylContact C-O 3.5Å; M1-L39 WeakPolarHBondContact CA-O 3.45Å; M1-H40 HydrophobicContact CE-CB 4.07Å; M1-H40 HydrophobicContact CG-CB 4Å; M1-H40 PolarHBondContact N-ND1 3.48Å; M1-Y45 HydrophobicContact CE-CD2 3.95Å; M1-Y45 HydrophobicContact CE-CE2 4.45Å; M1-Y45 HydrophobicContact CE-CG 4.18Å; M1-M47 HydrophobicContact CE-CE 4Å; M1-M47 HydrophobicContact SD-CE 3.8Å; M1-M47 HydrophobicContact SD-SD 4.46Å; M1-T55 HydrophobicContact SD-CG2 4.23Å; M1-L63 HydrophobicContact CE-CD2 3.4Å; M1-L63 VanDerWaalsContact CE-CD2 3.4Å; M1-L63 HydrophobicContact CG-CD1 4.26Å; M1-L63 HydrophobicContact CG-CD2 4.01Å; M1-L63 HydrophobicContact SD-CD2 4.32Å; M1-V66 HydrophobicContact CE-CB 3.62Å; M1-V66 HydrophobicContact CE-CG2 3.89Å; M1-V66 HydrophobicContact SD-CB 4.32Å
2R88.4Confident91.4Very high84 Ų8473.3 Ų73.332%0.31737%0.367SS..BIsolated β-bridgetrans-119157.7175.865.3167.6-179.783.4-5.6110.8E8 R38 L39R2-E8 IonicContact CZ-OE1 3.93Å; R2-E8 IonicContact CZ-OE2 3.91Å; R2-E8 IonicContact NH1-OE1 3.63Å; R2-E8 IonicContact NH1-OE2 3.44Å; R2-E8 PolarHBondContact NH1-OE2 3.13Å; R2-E8 IonicContact NH2-OE1 2.77Å; R2-E8 PolarHBondContact NH2-OE1 2.85Å; R2-E8 IonicContact NH2-OE2 3.9Å; R2-E8 PolarHBondContact NH2-OE2 3.24Å; R2-R38 WeakPolarHBondContact O-CD 3.47Å; R2-L39 HydrophobicContact CG-CB 4.22Å; R2-L39 HydrophobicContact CG-CD2 4.42Å; R2-L39 PolarHBondContact N-O 3.39Å; R2-L39 PolarHBondContact O-N 3.34Å
3P91.2Very high91.5Very high81 Ų8172.2 Ų72.253%0.52636%0.358SS..PPolyproline II helixtrans-61152.2164.826.9-33.9000111
4L91.4Very high91.6Very high25 Ų2574 Ų7413%0.13137%0.365CS..PPolyproline II helixtrans-70.6146.7169.6-77.773.4000108.7E8 T9 M12 F37 L39 V44 F73L4-E8 WeakPolarHBondContact CA-OE2 3.41Å; L4-E8 HydrophobicContact CB-CB 4.11Å; L4-E8 HydrophobicContact CD2-CB 4.29Å; L4-E8 HydrophobicContact CG-CB 4.34Å; L4-T9 VanDerWaalsContact CB-OG1 3.3Å; L4-T9 WeakPolarHBondContact CB-OG1 3.48Å; L4-M12 HydrophobicContact CD2-SD 3.86Å; L4-F37 HydrophobicContact CD1-CB 4.02Å; L4-L39 HydrophobicContact CD1-CB 4.12Å; L4-L39 HydrophobicContact CG-CB 4.39Å; L4-V44 HydrophobicContact CD1-CG1 4.23Å; L4-V44 HydrophobicContact CD2-CG1 4.29Å; L4-V44 HydrophobicContact CD2-CG2 4.17Å; L4-F73 HydrophobicContact CD2-CE2 4.44Å
5T94.2Very high91.7Very high66 Ų6672.3 Ų72.341%0.40536%0.355SS..PPolyproline II helixtrans-72.5166.5168.765.80000110.3E7 E8 T9T5-E7 VanDerWaalsContact C-N 3.29Å; T5-E7 PolarHBondContact O-N 3.01Å; T5-E8 PolarHBondContact N-OE2 3.16Å; T5-E8 PolarHBondContact O-N 3.22Å; T5-E8 WeakPolarHBondContact OG1-CB 3.03Å; T5-E8 VanDerWaalsContact OG1-CG 3.26Å; T5-E8 WeakPolarHBondContact OG1-CG 3.38Å; T5-E8 PolarHBondContact OG1-N 3.17Å; T5-E8 PolarHBondContact OG1-OE2 3.48Å; T5-T9 VanDerWaalsContact O-CB 3.25Å; T5-T9 WeakPolarHBondContact O-CB 3.26Å; T5-T9 PolarHBondContact O-N 3.38Å; T5-T9 PolarHBondContact O-OG1 3.07Å
6E92.3Very high91.7Very high181 Ų18167.8 Ų67.885%0.84633%0.333SS*.Hα-helixtrans-59.3-40.4177.5-66.7-175.8175.700112.2T9 K10E6-T9 PolarHBondContact O-N 2.96Å; E6-K10 WeakPolarHBondContact O-CB 3.5Å; E6-K10 PolarHBondContact O-N 3.44Å
7E92.4Very high91.7Very high138 Ų13866.5 Ų66.565%0.64533%0.332SS*.Hα-helixtrans-64.2-45.4176.5-63.3-176.4173.500112.5T5 T9 K10 T11T5-E7 VanDerWaalsContact C-N 3.29Å; T5-E7 PolarHBondContact O-N 3.01Å; E7-T9 VanDerWaalsContact C-N 3.31Å; E7-T9 PolarHBondContact O-N 3.09Å; E7-K10 PolarHBondContact O-N 2.57Å; E7-T11 WeakPolarHBondContact O-CG2 3.34Å; E7-T11 PolarHBondContact O-N 3.4Å; E7-T11 PolarHBondContact O-OG1 3.14Å
8E93.1Very high91.8Very high38 Ų3869.1 Ų69.118%0.17834%0.341CS..Hα-helixtrans-64-40.4176.8-72.7170.8164.500111.1R2 L4 T5 T11 M12 F73R2-E8 IonicContact CZ-OE1 3.93Å; R2-E8 IonicContact CZ-OE2 3.91Å; R2-E8 IonicContact NH1-OE1 3.63Å; R2-E8 IonicContact NH1-OE2 3.44Å; R2-E8 PolarHBondContact NH1-OE2 3.13Å; R2-E8 IonicContact NH2-OE1 2.77Å; R2-E8 PolarHBondContact NH2-OE1 2.85Å; R2-E8 IonicContact NH2-OE2 3.9Å; R2-E8 PolarHBondContact NH2-OE2 3.24Å; L4-E8 WeakPolarHBondContact CA-OE2 3.41Å; L4-E8 HydrophobicContact CB-CB 4.11Å; L4-E8 HydrophobicContact CD2-CB 4.29Å; L4-E8 HydrophobicContact CG-CB 4.34Å; T5-E8 PolarHBondContact N-OE2 3.16Å; T5-E8 PolarHBondContact O-N 3.22Å; T5-E8 WeakPolarHBondContact OG1-CB 3.03Å; T5-E8 VanDerWaalsContact OG1-CG 3.26Å; T5-E8 WeakPolarHBondContact OG1-CG 3.38Å; T5-E8 PolarHBondContact OG1-N 3.17Å; T5-E8 PolarHBondContact OG1-OE2 3.48Å; E8-T11 WeakPolarHBondContact CA-OG1 3.46Å; E8-T11 PolarHBondContact O-N 3.34Å; E8-T11 PolarHBondContact O-OG1 3.03Å; E8-M12 VanDerWaalsContact O-CB 3.28Å; E8-M12 WeakPolarHBondContact O-CB 3.35Å; E8-M12 PolarHBondContact O-N 3.12Å; E8-F73 HydrophobicContact CB-CE1 4.44Å; E8-F73 HydrophobicContact CB-CE2 4.07Å; E8-F73 HydrophobicContact CB-CZ 3.72Å; E8-F73 HydrophobicContact CG-CE1 4.48Å; E8-F73 HydrophobicContact CG-CE2 4.2Å; E8-F73 HydrophobicContact CG-CZ 4.05Å; E8-F73 WeakPolarHBondContact O-CZ 3.28Å
9T92.4Very high91.8Very high45 Ų4565.7 Ų65.728%0.27632%0.324SS..Hα-helixtrans-63.4-46.3178-59.30000110.5L4 T5 E6 E7 M12 F13L4-T9 VanDerWaalsContact CB-OG1 3.3Å; L4-T9 WeakPolarHBondContact CB-OG1 3.48Å; T5-T9 VanDerWaalsContact O-CB 3.25Å; T5-T9 WeakPolarHBondContact O-CB 3.26Å; T5-T9 PolarHBondContact O-N 3.38Å; T5-T9 PolarHBondContact O-OG1 3.07Å; E6-T9 PolarHBondContact O-N 2.96Å; E7-T9 VanDerWaalsContact C-N 3.31Å; E7-T9 PolarHBondContact O-N 3.09Å; T9-M12 PolarHBondContact O-N 2.87Å; T9-F13 HydrophobicContact CG2-CD2 3.45Å; T9-F13 VanDerWaalsContact CG2-CD2 3.45Å; T9-F13 HydrophobicContact CG2-CE2 3.22Å; T9-F13 HydrophobicContact CG2-CZ 4.36Å; T9-F13 WeakPolarHBondContact O-CB 3.36Å; T9-F13 WeakPolarHBondContact O-CD2 3.37Å; T9-F13 WeakPolarHBondContact O-CG 3.5Å; T9-F13 PolarHBondContact O-N 3.24Å
10K93.3Very high91.9Very high135 Ų13562.5 Ų62.559%0.58731%0.308SS*.Hα-helixtrans-61-50.2176.6-174178.4178.7-178.50111.8E6 E7 M12 F13 E14E6-K10 WeakPolarHBondContact O-CB 3.5Å; E6-K10 PolarHBondContact O-N 3.44Å; E7-K10 PolarHBondContact O-N 2.57Å; K10-M12 VanDerWaalsContact C-N 3.34Å; K10-M12 PolarHBondContact O-N 3.23Å; K10-F13 PolarHBondContact O-N 2.95Å; K10-E14 WeakPolarHBondContact CE-OE1 3.3Å; K10-E14 HydrophobicContact CG-CG 4.42Å; K10-E14 WeakPolarHBondContact O-CB 3.38Å; K10-E14 VanDerWaalsContact O-CG 3.29Å; K10-E14 WeakPolarHBondContact O-CG 3.47Å; K10-E14 PolarHBondContact O-N 3.35Å
11T93.9Very high91.7Very high51 Ų5160.9 Ų60.931%0.31331%0.308SS..Hα-helixtrans-63.6-37.3-179.248.80000112.9E7 E8 K15 F73E7-T11 WeakPolarHBondContact O-CG2 3.34Å; E7-T11 PolarHBondContact O-N 3.4Å; E7-T11 PolarHBondContact O-OG1 3.14Å; E8-T11 WeakPolarHBondContact CA-OG1 3.46Å; E8-T11 PolarHBondContact O-N 3.34Å; E8-T11 PolarHBondContact O-OG1 3.03Å; T11-K15 PolarHBondContact O-N 2.91Å; T11-F73 WeakPolarHBondContact OG1-CE1 3.19Å
12M93.1Very high91.9Very high1 Ų168 Ų681%0.00534%0.341CS..Hα-helixtrans-64.2-51.9172.3-179.8-167-176.500111.2L4 E8 T9 K10 E14 K15 L16 F37 V44 F70 F73 F79L4-M12 HydrophobicContact CD2-SD 3.86Å; E8-M12 VanDerWaalsContact O-CB 3.28Å; E8-M12 WeakPolarHBondContact O-CB 3.35Å; E8-M12 PolarHBondContact O-N 3.12Å; T9-M12 PolarHBondContact O-N 2.87Å; K10-M12 VanDerWaalsContact C-N 3.34Å; K10-M12 PolarHBondContact O-N 3.23Å; M12-E14 VanDerWaalsContact C-N 3.34Å; M12-E14 PolarHBondContact O-N 3.48Å; M12-K15 WeakPolarHBondContact O-CB 3.12Å; M12-K15 PolarHBondContact O-N 3.36Å; M12-L16 HydrophobicContact CE-CD1 3.81Å; M12-L16 HydrophobicContact CG-CD1 4.21Å; M12-L16 PolarHBondContact O-N 2.92Å; M12-F37 HydrophobicContact CE-CD1 3.26Å; M12-F37 HydrophobicContact CE-CD2 4.27Å; M12-F37 HydrophobicContact CE-CE1 3.3Å; M12-F37 HydrophobicContact CE-CE2 4.33Å; M12-F37 HydrophobicContact CE-CG 3.76Å; M12-F37 HydrophobicContact CE-CZ 3.87Å; M12-F37 HydrophobicContact SD-CB 4.39Å; M12-F37 HydrophobicContact SD-CD1 4.18Å; M12-F37 HydrophobicContact SD-CD2 4.47Å; M12-F37 HydrophobicContact SD-CG 4.09Å; M12-V44 HydrophobicContact CE-CG1 3.69Å; M12-V44 HydrophobicContact SD-CG1 3.81Å; M12-F70 HydrophobicContact CE-CB 4.2Å; M12-F70 HydrophobicContact CE-CD1 4.17Å; M12-F73 HydrophobicContact CB-CZ 4.47Å; M12-F79 HydrophobicContact CB-CG 4.39Å; M12-F79 HydrophobicContact CE-CZ 4.3Å; M12-F79 HydrophobicContact CG-CD1 4.17Å; M12-F79 HydrophobicContact CG-CD2 4.46Å; M12-F79 HydrophobicContact CG-CE1 3.98Å; M12-F79 HydrophobicContact CG-CE2 4.3Å; M12-F79 HydrophobicContact CG-CG 4.41Å; M12-F79 HydrophobicContact CG-CZ 4.05Å
13F92.1Very high91.9Very high58 Ų5867.1 Ų67.125%0.25434%0.342SS..Hα-helixtrans-65.9-35-177.7-75.8-49.5000112.8T9 K10 K15 L16 S17 I24 F37T9-F13 HydrophobicContact CG2-CD2 3.45Å; T9-F13 VanDerWaalsContact CG2-CD2 3.45Å; T9-F13 HydrophobicContact CG2-CE2 3.22Å; T9-F13 HydrophobicContact CG2-CZ 4.36Å; T9-F13 WeakPolarHBondContact O-CB 3.36Å; T9-F13 WeakPolarHBondContact O-CD2 3.37Å; T9-F13 WeakPolarHBondContact O-CG 3.5Å; T9-F13 PolarHBondContact O-N 3.24Å; K10-F13 PolarHBondContact O-N 2.95Å; F13-K15 PolarHBondContact O-N 3.15Å; F13-L16 HydrophobicContact CD1-CD1 4.24Å; F13-L16 PolarHBondContact O-N 3.38Å; F13-S17 VanDerWaalsContact O-CB 3.3Å; F13-S17 WeakPolarHBondContact O-CB 3.38Å; F13-S17 PolarHBondContact O-N 2.56Å; F13-S17 PolarHBondContact O-OG 2.84Å; F13-I24 HydrophobicContact CB-CD1 4.48Å; F13-I24 HydrophobicContact CD1-CD1 4.18Å; F13-I24 HydrophobicContact CD1-CG2 3.51Å; F13-I24 HydrophobicContact CE1-CG2 3.35Å; F13-I24 HydrophobicContact CZ-CG2 4.3Å; F13-F37 HydrophobicContact CE1-CD2 4.43Å; F13-F37 AromaticContact CE1-CE2 3.96Å; F13-F37 HydrophobicContact CE1-CE2 3.96Å; F13-F37 HydrophobicContact CZ-CD2 4.27Å; F13-F37 HydrophobicContact CZ-CE2 4.17Å
14E92.8Very high91.6Very high98 Ų9864.6 Ų64.646%0.45832%0.324SS..Hα-helixtrans-60.9-31.4171-78.2177.2-174.700112.7K10 M12 S17 K18K10-E14 WeakPolarHBondContact CE-OE1 3.3Å; K10-E14 HydrophobicContact CG-CG 4.42Å; K10-E14 WeakPolarHBondContact O-CB 3.38Å; K10-E14 VanDerWaalsContact O-CG 3.29Å; K10-E14 WeakPolarHBondContact O-CG 3.47Å; K10-E14 PolarHBondContact O-N 3.35Å; M12-E14 VanDerWaalsContact C-N 3.34Å; M12-E14 PolarHBondContact O-N 3.48Å; E14-S17 PolarHBondContact O-OG 3.15Å; E14-S17 VanDerWaalsContact O-OG 3.11Å; E14-K18 WeakPolarHBondContact O-CG 3.34Å
15K92.7Very high91.4Very high48 Ų4871.1 Ų71.121%0.20935%0.351CS..Hα-helixtrans-77.3-38.7175.2-172.764.6171.7179.10111.5T11 M12 F13 Y19 F79T11-K15 PolarHBondContact O-N 2.91Å; M12-K15 WeakPolarHBondContact O-CB 3.12Å; M12-K15 PolarHBondContact O-N 3.36Å; F13-K15 PolarHBondContact O-N 3.15Å; K15-Y19 WeakPolarHBondContact O-CD2 3.38Å; K15-F79 HydrophobicContact CB-CB 4.49Å; K15-F79 HydrophobicContact CB-CD1 3.99Å; K15-F79 HydrophobicContact CG-CD1 4.01Å
16L92.3Very high91.1Very high0 Ų071.9 Ų71.90%035%0.352CS..Hα-helixtrans-71.1-39.7178.3-65.7178.9000112.5M12 F13 K18 Y19 I20 I24 F70 L81 L89M12-L16 HydrophobicContact CE-CD1 3.81Å; M12-L16 HydrophobicContact CG-CD1 4.21Å; M12-L16 PolarHBondContact O-N 2.92Å; F13-L16 HydrophobicContact CD1-CD1 4.24Å; F13-L16 PolarHBondContact O-N 3.38Å; L16-K18 PolarHBondContact O-N 3.27Å; L16-K18 VanDerWaalsContact O-N 3.13Å; L16-Y19 PolarHBondContact O-N 3.27Å; L16-I20 VanDerWaalsContact O-CG1 3.3Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 3.27Å; L16-I20 VanDerWaalsContact O-N 3.09Å; L16-I24 HydrophobicContact CB-CD1 4.47Å; L16-F70 HydrophobicContact CD1-CD1 4.44Å; L16-F70 HydrophobicContact CD2-CD1 4.27Å; L16-L81 HydrophobicContact CD2-CD1 3.58Å; L16-L89 HydrophobicContact CD2-CD1 3.83Å; L16-L89 HydrophobicContact CD2-CD2 3.99Å
17S92Very high90.9Very high47 Ų4763.2 Ų63.233%0.32931%0.312SS..Hα-helixtrans-60.2-26.1179.4670000112.3F13 E14 Y19 G21F13-S17 VanDerWaalsContact O-CB 3.3Å; F13-S17 WeakPolarHBondContact O-CB 3.38Å; F13-S17 PolarHBondContact O-N 2.56Å; F13-S17 PolarHBondContact O-OG 2.84Å; E14-S17 PolarHBondContact O-OG 3.15Å; E14-S17 VanDerWaalsContact O-OG 3.11Å; S17-Y19 PolarHBondContact O-N 3.07Å; S17-G21 WeakPolarHBondContact O-CA 3.18Å; S17-G21 PolarHBondContact O-N 3Å
18K92.3Very high90.6Very high113 Ų11358.6 Ų58.649%0.49129%0.293SS..Hα-helixtrans-62.5-21.4172.6-68.8177.1-176.6-172.80113.9E14 L16 Q129 G130E14-K18 WeakPolarHBondContact O-CG 3.34Å; L16-K18 PolarHBondContact O-N 3.27Å; L16-K18 VanDerWaalsContact O-N 3.13Å; K18-Q129 PolarHBondContact O-NE2 2.8Å; K18-G130 VanDerWaalsContact O-CA 3.29Å; K18-G130 WeakPolarHBondContact O-CA 3.34Å; K18-G130 PolarHBondContact O-N 3.45Å
19Y93Very high90.4Very high5 Ų561.9 Ų61.92%0.0231%0.312CS..Hα-helixtrans-107.8-45.4179.6-64.1-81.7000112.4K15 L16 S17 L81 K94 V132 F143 G144K15-Y19 WeakPolarHBondContact O-CD2 3.38Å; L16-Y19 PolarHBondContact O-N 3.27Å; S17-Y19 PolarHBondContact O-N 3.07Å; Y19-L81 HydrophobicContact CD2-CD2 4.15Å; Y19-L81 HydrophobicContact CE2-CD2 3.86Å; Y19-K94 PolarHBondContact O-N 3.09Å; Y19-V132 HydrophobicContact CD1-CG2 4.41Å; Y19-F143 AromaticContact CD1-CD1 3.87Å; Y19-F143 HydrophobicContact CD1-CD1 3.87Å; Y19-F143 HydrophobicContact CE1-CB 3.97Å; Y19-F143 AromaticContact CE1-CD1 3.81Å; Y19-F143 HydrophobicContact CE1-CD1 3.81Å; Y19-F143 HydrophobicContact CE1-CG 4.26Å; Y19-F143 HydrophobicContact CG-CD1 4.33Å; Y19-G144 WeakPolarHBondContact CE1-O 3.46Å
20I92.9Very high90.1Very high1 Ų163.4 Ų63.41%0.00531%0.312CS..Hα-helixtrans-107.2-5.7-173.158.1162.9000114.1L16 E22 N23 I24 L27 L89L16-I20 VanDerWaalsContact O-CG1 3.3Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 3.27Å; L16-I20 VanDerWaalsContact O-N 3.09Å; I20-E22 PolarHBondContact O-N 3.25Å; I20-N23 HydrophobicContact CB-CB 4.47Å; I20-N23 WeakPolarHBondContact O-CB 3.28Å; I20-N23 PolarHBondContact O-N 2.89Å; I20-I24 HydrophobicContact CD1-CB 4.2Å; I20-I24 HydrophobicContact CD1-CG1 3.45Å; I20-I24 VanDerWaalsContact CD1-CG1 3.45Å; I20-I24 HydrophobicContact CG1-CG1 3.84Å; I20-L27 HydrophobicContact CD1-CD1 3.63Å; I20-L27 HydrophobicContact CD1-CG 4.38Å; I20-L89 HydrophobicContact CB-CD2 4.43Å; I20-L89 HydrophobicContact CD1-CD2 3.68Å; I20-L89 HydrophobicContact CG1-CD2 3.99Å; I20-L89 HydrophobicContact CG2-CB 4.16Å; I20-L89 HydrophobicContact CG2-CD2 3.56Å; I20-L89 HydrophobicContact CG2-CG 4.5Å; I20-L89 WeakPolarHBondContact CG2-O 3.38Å
21G88.3Confident89.7Confident29 Ų2963.8 Ų63.830%0.29933%0.329SS..G310 helixtrans61.2-129.3-179.700000112.5S17 N23 I24S17-G21 WeakPolarHBondContact O-CA 3.18Å; S17-G21 PolarHBondContact O-N 3Å; G21-N23 VanDerWaalsContact C-N 3.29Å; G21-N23 PolarHBondContact O-N 3.23Å; G21-I24 WeakPolarHBondContact O-CD1 3.33Å
22E86.2Confident89.4Confident184 Ų18464.9 Ų64.986%0.8633%0.333SS*.G310 helixtrans-80-7.8-178.4-63177.8-176.200113.6I20 I24I20-E22 PolarHBondContact O-N 3.25Å; E22-I24 PolarHBondContact O-N 3.04Å
23N87.7Confident89.1Confident66 Ų6666.1 Ų66.135%0.35335%0.346SS..G310 helixtrans-70.53.4-178.4-65.1-22.7000113.8I20 G21 K25 L26 Y92I20-N23 HydrophobicContact CB-CB 4.47Å; I20-N23 WeakPolarHBondContact O-CB 3.28Å; I20-N23 PolarHBondContact O-N 2.89Å; G21-N23 VanDerWaalsContact C-N 3.29Å; G21-N23 PolarHBondContact O-N 3.23Å; N23-K25 PolarHBondContact O-N 3.27Å; N23-L26 HydrophobicContact CB-CD1 4.14Å; N23-L26 WeakPolarHBondContact O-CB 3.18Å; N23-L26 PolarHBondContact O-N 3Å; N23-Y92 PolarHBondContact ND2-O 3.29Å; N23-Y92 VanDerWaalsContact ND2-O 3.07Å
24I85.6Confident89.1Confident28 Ų2866.2 Ų66.214%0.14435%0.351CS..G310 helixtrans-55.7-34177.4-67.1165000111.6F13 L16 I20 G21 E22 L26 L27F13-I24 HydrophobicContact CB-CD1 4.48Å; F13-I24 HydrophobicContact CD1-CD1 4.18Å; F13-I24 HydrophobicContact CD1-CG2 3.51Å; F13-I24 HydrophobicContact CE1-CG2 3.35Å; F13-I24 HydrophobicContact CZ-CG2 4.3Å; L16-I24 HydrophobicContact CB-CD1 4.47Å; I20-I24 HydrophobicContact CD1-CB 4.2Å; I20-I24 HydrophobicContact CD1-CG1 3.45Å; I20-I24 VanDerWaalsContact CD1-CG1 3.45Å; I20-I24 HydrophobicContact CG1-CG1 3.84Å; G21-I24 WeakPolarHBondContact O-CD1 3.33Å; E22-I24 PolarHBondContact O-N 3.04Å; I24-L26 PolarHBondContact O-N 2.84Å; I24-L27 WeakPolarHBondContact O-CB 3.38Å; I24-L27 PolarHBondContact O-N 3.38Å
25K86.3Confident89.1Confident162 Ų16263.5 Ų63.570%0.70434%0.337SS*.Hα-helixtrans-58.4-34.6178-65.1-176.7-179.4178.80112.3N23 L27 V28 D29N23-K25 PolarHBondContact O-N 3.27Å; K25-L27 PolarHBondContact O-N 3.35Å; K25-V28 PolarHBondContact O-N 3.17Å; K25-D29 PolarHBondContact O-N 3.04Å
26L88.3Confident89Confident81 Ų8161.9 Ų61.942%0.42433%0.332SS..Hα-helixtrans-67.6-20.3178.2-58.9174.1000113N23 I24 R30 Y92N23-L26 HydrophobicContact CB-CD1 4.14Å; N23-L26 WeakPolarHBondContact O-CB 3.18Å; N23-L26 PolarHBondContact O-N 3Å; I24-L26 PolarHBondContact O-N 2.84Å; L26-R30 WeakPolarHBondContact O-CG 3.33Å; L26-Y92 HydrophobicContact CB-CD1 4.25Å; L26-Y92 HydrophobicContact CB-CE1 3.87Å; L26-Y92 HydrophobicContact CD1-CD1 3.67Å; L26-Y92 HydrophobicContact CD1-CE1 3.7Å; L26-Y92 HydrophobicContact CG-CE1 4.41Å
27L87.4Confident89.1Confident0 Ų062.9 Ų62.90%034%0.336CS..Hα-helixtrans-78.9-29.6172.3-67.8177.1000112.1I20 I24 K25 Y46 F70 F88 L89 Y92I20-L27 HydrophobicContact CD1-CD1 3.63Å; I20-L27 HydrophobicContact CD1-CG 4.38Å; I24-L27 WeakPolarHBondContact O-CB 3.38Å; I24-L27 PolarHBondContact O-N 3.38Å; K25-L27 PolarHBondContact O-N 3.35Å; L27-Y46 HydrophobicContact CB-CE2 4.47Å; L27-Y46 VanDerWaalsContact O-CE2 3.3Å; L27-Y46 WeakPolarHBondContact O-CE2 3.46Å; L27-Y46 VanDerWaalsContact O-CZ 3.32Å; L27-Y46 PolarHBondContact O-OH 2.9Å; L27-F70 HydrophobicContact CD1-CE1 4.34Å; L27-F88 HydrophobicContact CD2-CB 4.14Å; L27-L89 HydrophobicContact CD1-CD2 3.99Å; L27-Y92 HydrophobicContact CD2-CD2 3.91Å; L27-Y92 HydrophobicContact CD2-CE2 3.75Å; L27-Y92 HydrophobicContact CG-CD2 4.41Å
28V88Confident89.1Confident40 Ų4063.5 Ų63.524%0.24233%0.331CS..Hα-helixtrans-86.3-48.5-178.3178.30000110.1K25 R30 T34 Y35K25-V28 PolarHBondContact O-N 3.17Å; V28-R30 PolarHBondContact O-N 2.8Å; V28-T34 HydrophobicContact CG1-CG2 4.33Å; V28-Y35 PolarHBondContact O-N 3.2Å
29D87.4Confident89Confident107 Ų10758.5 Ų58.557%0.57231%0.31SS*.EExtended strand (participates in β ladder)trans-100.886.8-176.7-61.7-38.7000109.8K25K25-D29 PolarHBondContact O-N 3.04Å
30R86.1Confident88.9Confident77 Ų7758.9 Ų58.929%0.29131%0.312SS..EExtended strand (participates in β ladder)trans-98.5152.7174.8-64.7-178.852.4136.25.2110.8L26 V28 D32 G33 Y35 Y46L26-R30 WeakPolarHBondContact O-CG 3.33Å; V28-R30 PolarHBondContact O-N 2.8Å; R30-D32 WeakPolarHBondContact CB-OD1 3.33Å; R30-D32 IonicContact CZ-OD1 3.93Å; R30-D32 IonicContact NE-OD1 2.7Å; R30-D32 PolarHBondContact NE-OD1 2.82Å; R30-D32 VanDerWaalsContact NE-OD1 3.07Å; R30-D32 IonicContact NE-OD2 3.07Å; R30-D32 IonicContact NH2-OD1 3.88Å; R30-D32 PolarHBondContact O-N 2.93Å; R30-D32 VanDerWaalsContact O-N 3.13Å; R30-G33 PolarHBondContact N-O 3.37Å; R30-G33 CarbonylContact O-C 3.58Å; R30-G33 PolarHBondContact O-N 3.31Å; R30-G33 VanDerWaalsContact O-O 3.09Å; R30-Y35 HydrophobicContact CB-CD2 4.15Å; R30-Y35 HydrophobicContact CB-CE2 4.08Å; R30-Y35 HydrophobicContact CG-CD2 4.12Å; R30-Y35 HydrophobicContact CG-CE2 4.26Å; R30-Y46 VanDerWaalsContact CD-OH 3.28Å; R30-Y46 WeakPolarHBondContact CD-OH 3.35Å
31P85.1Confident88.6Confident143 Ų14365.3 Ų65.393%0.92934%0.342SS*.THydrogen-bonded Turntrans-60.5-24.4178.823.5-34.2000113.4G33P31-G33 VanDerWaalsContact C-N 3.35Å
32D87.1Confident88.7Confident74 Ų7468.8 Ų68.840%0.39635%0.353SS..THydrogen-bonded Turntrans-82.5-9.4177.657.2-54.9000114.3R30 Y35R30-D32 WeakPolarHBondContact CB-OD1 3.33Å; R30-D32 IonicContact CZ-OD1 3.93Å; R30-D32 IonicContact NE-OD1 2.7Å; R30-D32 PolarHBondContact NE-OD1 2.82Å; R30-D32 VanDerWaalsContact NE-OD1 3.07Å; R30-D32 IonicContact NE-OD2 3.07Å; R30-D32 IonicContact NH2-OD1 3.88Å; R30-D32 PolarHBondContact O-N 2.93Å; R30-D32 VanDerWaalsContact O-N 3.13Å; D32-Y35 VanDerWaalsContact OD2-CE2 3.26Å; D32-Y35 WeakPolarHBondContact OD2-CE2 3.47Å; D32-Y35 PolarHBondContact OD2-OH 3.07Å
33G87.9Confident88.9Confident27 Ų2761.9 Ų61.928%0.27832%0.32SS..EExtended strand (participates in β ladder)trans140.9-177.4173.800000113.4R30 P31 Y35R30-G33 PolarHBondContact N-O 3.37Å; R30-G33 CarbonylContact O-C 3.58Å; R30-G33 PolarHBondContact O-N 3.31Å; R30-G33 VanDerWaalsContact O-O 3.09Å; P31-G33 VanDerWaalsContact C-N 3.35Å; G33-Y35 WeakPolarHBondContact O-CD2 3.43Å
34T90.9Very high89.2Confident61 Ų6158.8 Ų58.837%0.37430%0.303SS..EExtended strand (participates in β ladder)trans-79.4133.5178-44.30000111.2V28 E49V28-T34 HydrophobicContact CG1-CG2 4.33Å; T34-E49 HydrophobicContact CG2-CG 4.4Å; T34-E49 PolarHBondContact O-N 2.87Å
35Y93.4Very high89.6Confident41 Ų4157.7 Ų57.716%0.16130%0.297CS..EExtended strand (participates in β ladder)trans-110148.3174.7-77.1-110.7000111V28 R30 D32 G33 Y46 M47V28-Y35 PolarHBondContact O-N 3.2Å; R30-Y35 HydrophobicContact CB-CD2 4.15Å; R30-Y35 HydrophobicContact CB-CE2 4.08Å; R30-Y35 HydrophobicContact CG-CD2 4.12Å; R30-Y35 HydrophobicContact CG-CE2 4.26Å; D32-Y35 VanDerWaalsContact OD2-CE2 3.26Å; D32-Y35 WeakPolarHBondContact OD2-CE2 3.47Å; D32-Y35 PolarHBondContact OD2-OH 3.07Å; G33-Y35 WeakPolarHBondContact O-CD2 3.43Å; Y35-Y46 WeakPolarHBondContact CB-OH 3.44Å; Y35-Y46 HydrophobicContact CD1-CD1 4.15Å; Y35-Y46 HydrophobicContact CD1-CD2 4.45Å; Y35-Y46 AromaticContact CD1-CE1 3.46Å; Y35-Y46 HydrophobicContact CD1-CE1 3.46Å; Y35-Y46 VanDerWaalsContact CD1-CE1 3.46Å; Y35-Y46 AromaticContact CD1-CE2 3.84Å; Y35-Y46 HydrophobicContact CD1-CE2 3.84Å; Y35-Y46 AromaticContact CD1-CZ 3.28Å; Y35-Y46 WeakPolarHBondContact CD1-OH 3.1Å; Y35-Y46 AromaticContact CE1-CE1 3.92Å; Y35-Y46 HydrophobicContact CE1-CE1 3.92Å; Y35-Y46 HydrophobicContact CG-CE1 4.21Å; Y35-Y46 AromaticContact CG-CE2 3.93Å; Y35-Y46 HydrophobicContact CG-CE2 3.93Å; Y35-Y46 AromaticContact CG-CZ 3.56Å; Y35-Y46 VanDerWaalsContact CG-OH 3.29Å; Y35-M47 CarbonylContact C-O 3.59Å; Y35-M47 WeakPolarHBondContact CA-O 3.08Å; Y35-M47 VanDerWaalsContact CD1-C 3.41Å
36C91.1Very high90Very high14 Ų1450.1 Ų50.110%0.09526%0.264CS..EExtended strand (participates in β ladder)trans-134.2155.5-176.867.80000111.7M47 E49C36-M47 PolarHBondContact N-O 3.3Å; C36-M47 PolarHBondContact O-N 3.39Å; C36-M47 VanDerWaalsContact O-N 3.15Å; C36-E49 HydrophobicContact CB-CG 4.29Å
37F93.4Very high90.1Very high20 Ų2046.4 Ų46.49%0.08825%0.245CC..EExtended strand (participates in β ladder)trans-100.4136.2172.4-62.1-77.1000110.4L4 M12 F13 V44 Y45 Y46 F70L4-F37 HydrophobicContact CD1-CB 4.02Å; M12-F37 HydrophobicContact CE-CD1 3.26Å; M12-F37 HydrophobicContact CE-CD2 4.27Å; M12-F37 HydrophobicContact CE-CE1 3.3Å; M12-F37 HydrophobicContact CE-CE2 4.33Å; M12-F37 HydrophobicContact CE-CG 3.76Å; M12-F37 HydrophobicContact CE-CZ 3.87Å; M12-F37 HydrophobicContact SD-CB 4.39Å; M12-F37 HydrophobicContact SD-CD1 4.18Å; M12-F37 HydrophobicContact SD-CD2 4.47Å; M12-F37 HydrophobicContact SD-CG 4.09Å; F13-F37 HydrophobicContact CE1-CD2 4.43Å; F13-F37 AromaticContact CE1-CE2 3.96Å; F13-F37 HydrophobicContact CE1-CE2 3.96Å; F13-F37 HydrophobicContact CZ-CD2 4.27Å; F13-F37 HydrophobicContact CZ-CE2 4.17Å; F37-V44 HydrophobicContact CB-CG1 4Å; F37-V44 HydrophobicContact CD1-CG1 4.06Å; F37-V44 HydrophobicContact CG-CG1 4.42Å; F37-Y45 WeakPolarHBondContact CA-O 3.39Å; F37-Y46 AromaticContact CD1-CD2 3.9Å; F37-Y46 HydrophobicContact CD1-CD2 3.9Å; F37-Y46 HydrophobicContact CD1-CG 4.42Å; F37-Y46 AromaticContact CE1-CD2 3.35Å; F37-Y46 HydrophobicContact CE1-CD2 3.35Å; F37-Y46 HydrophobicContact CE1-CE2 4.27Å; F37-Y46 AromaticContact CE1-CG 3.92Å; F37-Y46 HydrophobicContact CE1-CG 3.92Å; F37-Y46 HydrophobicContact CE2-CD2 4.3Å; F37-Y46 AromaticContact CZ-CD2 3.58Å; F37-Y46 HydrophobicContact CZ-CD2 3.58Å; F37-Y46 HydrophobicContact CZ-CE2 4.05Å; F37-Y46 HydrophobicContact CZ-CG 4.49Å; F37-F70 AromaticContact CE1-CD1 3.83Å; F37-F70 HydrophobicContact CE1-CD1 3.83Å; F37-F70 AromaticContact CE1-CE1 3.94Å; F37-F70 HydrophobicContact CE1-CE1 3.94Å; F37-F70 HydrophobicContact CE1-CG 4.14Å; F37-F70 HydrophobicContact CE1-CZ 4.35Å; F37-F70 HydrophobicContact CZ-CD1 4.48Å; F37-F70 HydrophobicContact CZ-CE1 4.28Å
38R91.9Very high90.4Very high61 Ų6147.3 Ų47.323%0.2325%0.251CS..EExtended strand (participates in β ladder)trans-133.5141.2178.1-69.2-67.3178.9-1227.7111M1 R2 V44 Y45 L52M1-R38 HydrophobicContact CB-CB 4.45Å; M1-R38 HydrophobicContact SD-CB 4.27Å; R2-R38 WeakPolarHBondContact O-CD 3.47Å; R38-V44 WeakPolarHBondContact O-CA 3.14Å; R38-Y45 PolarHBondContact N-O 2.7Å; R38-Y45 PolarHBondContact O-N 2.72Å; R38-L52 HydrophobicContact CG-CD1 3.85Å; R38-L52 VanDerWaalsContact NE-CD2 3.26Å; R38-L52 VanDerWaalsContact NH2-CD2 3.29Å
39L91.6Very high90.5Very high8 Ų849.4 Ų49.44%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-97.7132.5177.3-168.1150.7000110.2M1 R2 L4 R43 F73M1-L39 CarbonylContact C-O 3.5Å; M1-L39 WeakPolarHBondContact CA-O 3.45Å; R2-L39 HydrophobicContact CG-CB 4.22Å; R2-L39 HydrophobicContact CG-CD2 4.42Å; R2-L39 PolarHBondContact N-O 3.39Å; R2-L39 PolarHBondContact O-N 3.34Å; L4-L39 HydrophobicContact CD1-CB 4.12Å; L4-L39 HydrophobicContact CG-CB 4.39Å; L39-R43 CarbonylContact C-O 3.53Å; L39-R43 WeakPolarHBondContact CA-O 3.3Å; L39-F73 HydrophobicContact CD1-CD2 3.71Å; L39-F73 HydrophobicContact CD1-CE2 3.85Å
40H90.2Very high90.6Very high13 Ų1351.3 Ų51.36%0.0626%0.261CS..EExtended strand (participates in β ladder)trans-146.4123.7174.4-169.874000109.3M1 D42 R43 Y45 R60 L63M1-H40 HydrophobicContact CE-CB 4.07Å; M1-H40 HydrophobicContact CG-CB 4Å; M1-H40 PolarHBondContact N-ND1 3.48Å; H40-D42 VanDerWaalsContact C-N 3.33Å; H40-D42 PolarHBondContact O-N 2.9Å; H40-R43 PolarHBondContact N-O 3.19Å; H40-R43 WeakPolarHBondContact O-CB 3.25Å; H40-R43 PolarHBondContact O-N 2.87Å; H40-Y45 HydrophobicContact CB-CD2 4.07Å; H40-Y45 HydrophobicContact CB-CE2 3.92Å; H40-R60 PolarHBondContact CE1-O 3.27Å; H40-R60 VanDerWaalsContact CE1-O 3.31Å; H40-L63 PolarHBondContact NE2-O 3.31Å
41Q86.9Confident90.8Very high135 Ų13551.1 Ų51.163%0.63127%0.265SS*.THydrogen-bonded Turntrans47.951.3-177.7-61.2179.1-10.800113R43Q41-R43 PolarHBondContact O-N 2.99Å
42D89.8Confident91Very high102 Ų10245.7 Ų45.755%0.54523%0.228SC..THydrogen-bonded Turntrans61.42.5-177.1-55.6-34.8000116.5H40 K72 F73H40-D42 VanDerWaalsContact C-N 3.33Å; H40-D42 PolarHBondContact O-N 2.9Å; D42-K72 CarbonylContact O-C 3.58Å; D42-K72 VanDerWaalsContact O-CA 3.26Å; D42-K72 WeakPolarHBondContact O-CA 3.5Å; D42-K72 WeakPolarHBondContact O-CB 3.44Å; D42-F73 PolarHBondContact O-N 3.4Å
43R91.4Very high91.1Very high40 Ų4049.5 Ų49.515%0.15124%0.241CC..EExtended strand (participates in β ladder)trans-99142.8174.6-59.3-179-175-146.611.6110.7L39 H40 Q41 Y45 G71 K72 L179 T180L39-R43 CarbonylContact C-O 3.53Å; L39-R43 WeakPolarHBondContact CA-O 3.3Å; H40-R43 PolarHBondContact N-O 3.19Å; H40-R43 WeakPolarHBondContact O-CB 3.25Å; H40-R43 PolarHBondContact O-N 2.87Å; Q41-R43 PolarHBondContact O-N 2.99Å; R43-Y45 HydrophobicContact CB-CD2 4.43Å; R43-Y45 HydrophobicContact CB-CE2 3.73Å; R43-G71 CarbonylContact C-O 3.57Å; R43-G71 WeakPolarHBondContact CA-O 3.43Å; R43-K72 HydrophobicContact CG-CB 4.02Å; R43-L179 PolarHBondContact NH1-O 2.95Å; R43-T180 PolarHBondContact NH1-O 2.79Å; R43-T180 PolarHBondContact NH1-OXT 3.42Å; R43-T180 PolarHBondContact NH2-OXT 2.91Å
44V93.9Very high91.1Very high0 Ų053.5 Ų53.50%026%0.256CS..EExtended strand (participates in β ladder)trans-103.3123177.5-178.70000109.2L4 M12 F37 R38 F70 G71 F73 F79L4-V44 HydrophobicContact CD1-CG1 4.23Å; L4-V44 HydrophobicContact CD2-CG1 4.29Å; L4-V44 HydrophobicContact CD2-CG2 4.17Å; M12-V44 HydrophobicContact CE-CG1 3.69Å; M12-V44 HydrophobicContact SD-CG1 3.81Å; F37-V44 HydrophobicContact CB-CG1 4Å; F37-V44 HydrophobicContact CD1-CG1 4.06Å; F37-V44 HydrophobicContact CG-CG1 4.42Å; R38-V44 WeakPolarHBondContact O-CA 3.14Å; V44-F70 PolarHBondContact O-N 2.91Å; V44-G71 PolarHBondContact N-O 2.87Å; V44-F73 HydrophobicContact CG2-CD2 4.03Å; V44-F73 HydrophobicContact CG2-CE2 3.56Å; V44-F79 HydrophobicContact CB-CE2 3.94Å; V44-F79 HydrophobicContact CB-CZ 4.39Å; V44-F79 HydrophobicContact CG2-CD2 4.41Å; V44-F79 HydrophobicContact CG2-CE2 3.7Å
45Y93.8Very high90.9Very high5 Ų551.3 Ų51.32%0.0224%0.242CC..EExtended strand (participates in β ladder)trans-108.4139179.2-67.1-85.8000110.7M1 F37 R38 H40 R43 V66 T68 C69M1-Y45 HydrophobicContact CE-CD2 3.95Å; M1-Y45 HydrophobicContact CE-CE2 4.45Å; M1-Y45 HydrophobicContact CE-CG 4.18Å; F37-Y45 WeakPolarHBondContact CA-O 3.39Å; R38-Y45 PolarHBondContact N-O 2.7Å; R38-Y45 PolarHBondContact O-N 2.72Å; H40-Y45 HydrophobicContact CB-CD2 4.07Å; H40-Y45 HydrophobicContact CB-CE2 3.92Å; R43-Y45 HydrophobicContact CB-CD2 4.43Å; R43-Y45 HydrophobicContact CB-CE2 3.73Å; Y45-V66 WeakPolarHBondContact CB-O 3.12Å; Y45-V66 WeakPolarHBondContact CD1-O 3.33Å; Y45-T68 CarbonylContact C-O 3.58Å; Y45-T68 WeakPolarHBondContact CA-O 3.3Å; Y45-C69 HydrophobicContact CD1-CB 4.14Å; Y45-C69 HydrophobicContact CE1-CB 3.89Å
46Y93.5Very high90.5Very high3 Ų354.4 Ų54.41%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-104.5125.5174.4176.5-109000109.7L27 R30 Y35 F37 T68 F70 F88L27-Y46 HydrophobicContact CB-CE2 4.47Å; L27-Y46 VanDerWaalsContact O-CE2 3.3Å; L27-Y46 WeakPolarHBondContact O-CE2 3.46Å; L27-Y46 VanDerWaalsContact O-CZ 3.32Å; L27-Y46 PolarHBondContact O-OH 2.9Å; R30-Y46 VanDerWaalsContact CD-OH 3.28Å; R30-Y46 WeakPolarHBondContact CD-OH 3.35Å; Y35-Y46 WeakPolarHBondContact CB-OH 3.44Å; Y35-Y46 HydrophobicContact CD1-CD1 4.15Å; Y35-Y46 HydrophobicContact CD1-CD2 4.45Å; Y35-Y46 AromaticContact CD1-CE1 3.46Å; Y35-Y46 HydrophobicContact CD1-CE1 3.46Å; Y35-Y46 VanDerWaalsContact CD1-CE1 3.46Å; Y35-Y46 AromaticContact CD1-CE2 3.84Å; Y35-Y46 HydrophobicContact CD1-CE2 3.84Å; Y35-Y46 AromaticContact CD1-CZ 3.28Å; Y35-Y46 WeakPolarHBondContact CD1-OH 3.1Å; Y35-Y46 AromaticContact CE1-CE1 3.92Å; Y35-Y46 HydrophobicContact CE1-CE1 3.92Å; Y35-Y46 HydrophobicContact CG-CE1 4.21Å; Y35-Y46 AromaticContact CG-CE2 3.93Å; Y35-Y46 HydrophobicContact CG-CE2 3.93Å; Y35-Y46 AromaticContact CG-CZ 3.56Å; Y35-Y46 VanDerWaalsContact CG-OH 3.29Å; F37-Y46 AromaticContact CD1-CD2 3.9Å; F37-Y46 HydrophobicContact CD1-CD2 3.9Å; F37-Y46 HydrophobicContact CD1-CG 4.42Å; F37-Y46 AromaticContact CE1-CD2 3.35Å; F37-Y46 HydrophobicContact CE1-CD2 3.35Å; F37-Y46 HydrophobicContact CE1-CE2 4.27Å; F37-Y46 AromaticContact CE1-CG 3.92Å; F37-Y46 HydrophobicContact CE1-CG 3.92Å; F37-Y46 HydrophobicContact CE2-CD2 4.3Å; F37-Y46 AromaticContact CZ-CD2 3.58Å; F37-Y46 HydrophobicContact CZ-CD2 3.58Å; F37-Y46 HydrophobicContact CZ-CE2 4.05Å; F37-Y46 HydrophobicContact CZ-CG 4.49Å; Y46-T68 PolarHBondContact N-O 3.36Å; Y46-T68 PolarHBondContact O-N 2.97Å; Y46-F70 VanDerWaalsContact CB-CD2 3.45Å; Y46-F70 AromaticContact CD1-CE2 3.67Å; Y46-F70 HydrophobicContact CD1-CE2 3.67Å; Y46-F70 AromaticContact CD1-CZ 4Å; Y46-F70 HydrophobicContact CD1-CZ 4Å; Y46-F70 HydrophobicContact CD2-CE2 4.48Å; Y46-F70 HydrophobicContact CD2-CZ 4.4Å; Y46-F70 HydrophobicContact CG-CD2 4.22Å; Y46-F70 AromaticContact CG-CE2 3.59Å; Y46-F70 HydrophobicContact CG-CE2 3.59Å; Y46-F70 AromaticContact CG-CZ 3.89Å; Y46-F70 HydrophobicContact CG-CZ 3.89Å; Y46-F88 HydrophobicContact CD1-CD1 4.07Å; Y46-F88 AromaticContact CD1-CE1 3.97Å; Y46-F88 HydrophobicContact CD1-CE1 3.97Å; Y46-F88 HydrophobicContact CD1-CG 4.44Å; Y46-F88 HydrophobicContact CD1-CZ 4.26Å; Y46-F88 AromaticContact CE1-CD1 3.6Å; Y46-F88 HydrophobicContact CE1-CD1 3.6Å; Y46-F88 AromaticContact CE1-CE1 3.59Å; Y46-F88 HydrophobicContact CE1-CE1 3.59Å; Y46-F88 HydrophobicContact CE1-CG 4.32Å; Y46-F88 HydrophobicContact CE1-CZ 4.32Å
47M91.6Very high90.3Very high4 Ų459.9 Ų59.92%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-155.9162.7-177.965.2-175.559.900112.3M1 Y35 C36 I51 L52 V66M1-M47 HydrophobicContact CE-CE 4Å; M1-M47 HydrophobicContact SD-CE 3.8Å; M1-M47 HydrophobicContact SD-SD 4.46Å; Y35-M47 CarbonylContact C-O 3.59Å; Y35-M47 WeakPolarHBondContact CA-O 3.08Å; Y35-M47 VanDerWaalsContact CD1-C 3.41Å; C36-M47 PolarHBondContact N-O 3.3Å; C36-M47 PolarHBondContact O-N 3.39Å; C36-M47 VanDerWaalsContact O-N 3.15Å; M47-I51 HydrophobicContact SD-CG2 4.42Å; M47-L52 HydrophobicContact SD-CB 4.18Å; M47-L52 HydrophobicContact SD-CD1 4.17Å; M47-V66 HydrophobicContact CE-CB 3.51Å; M47-V66 HydrophobicContact CE-CG1 3.35Å; M47-V66 WeakPolarHBondContact CE-O 3.45Å; M47-V66 HydrophobicContact SD-CG1 3.9Å
48S92.8Very high90Very high19 Ų1965.7 Ų65.713%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-71.3148.2172.168.70000111.5K50 I51 L52S48-K50 PolarHBondContact O-N 3.14Å; S48-I51 PolarHBondContact O-N 2.71Å; S48-I51 VanDerWaalsContact O-N 3.14Å; S48-I51 WeakPolarHBondContact OG-CD1 3.09Å; S48-I51 WeakPolarHBondContact OG-CG1 3.47Å; S48-I51 PolarHBondContact OG-N 2.81Å; S48-L52 PolarHBondContact O-N 3.37Å; S48-L52 VanDerWaalsContact O-N 3.12Å
49E90.4Very high89.7Confident83 Ų8365.5 Ų65.539%0.38833%0.327SS..Hα-helixtrans-61.7-27175.9-71.5-167.2162.300113T34 C36 L52 K53T34-E49 HydrophobicContact CG2-CG 4.4Å; T34-E49 PolarHBondContact O-N 2.87Å; C36-E49 HydrophobicContact CB-CG 4.29Å; E49-L52 WeakPolarHBondContact O-CB 3.26Å; E49-L52 PolarHBondContact O-N 3.23Å; E49-K53 PolarHBondContact O-N 3.4Å
50K90.8Very high89.1Confident148 Ų14873 Ų7364%0.64336%0.355SS*.Hα-helixtrans-61.3-47.2174.6-64.4175.3-176.7165.10110.8S48 L52 K53S48-K50 PolarHBondContact O-N 3.14Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-K53 PolarHBondContact O-N 3.47Å
51I90Very high88.7Confident73 Ų7379.5 Ų79.537%0.37439%0.39SS..Hα-helixtrans-65.1-42.3176.9-68.1170.6000109.8M47 S48 K53 L54 T55 V66M47-I51 HydrophobicContact SD-CG2 4.42Å; S48-I51 PolarHBondContact O-N 2.71Å; S48-I51 VanDerWaalsContact O-N 3.14Å; S48-I51 WeakPolarHBondContact OG-CD1 3.09Å; S48-I51 WeakPolarHBondContact OG-CG1 3.47Å; S48-I51 PolarHBondContact OG-N 2.81Å; I51-K53 VanDerWaalsContact C-N 3.28Å; I51-K53 PolarHBondContact O-N 2.77Å; I51-L54 WeakPolarHBondContact O-CB 3.41Å; I51-L54 PolarHBondContact O-N 2.87Å; I51-T55 PolarHBondContact O-N 3.16Å; I51-T55 PolarHBondContact O-OG1 2.99Å; I51-V66 HydrophobicContact CG2-CG1 3.57Å
52L89Confident88.6Confident29 Ų2981.5 Ų81.515%0.15240%0.397CS..Hα-helixtrans-54.3-42.8179.1-179.865.4000112.9R38 M47 S48 E49 K50 L54 T55 T56R38-L52 HydrophobicContact CG-CD1 3.85Å; R38-L52 VanDerWaalsContact NE-CD2 3.26Å; R38-L52 VanDerWaalsContact NH2-CD2 3.29Å; M47-L52 HydrophobicContact SD-CB 4.18Å; M47-L52 HydrophobicContact SD-CD1 4.17Å; S48-L52 PolarHBondContact O-N 3.37Å; S48-L52 VanDerWaalsContact O-N 3.12Å; E49-L52 WeakPolarHBondContact O-CB 3.26Å; E49-L52 PolarHBondContact O-N 3.23Å; K50-L52 VanDerWaalsContact C-N 3.35Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 PolarHBondContact O-N 3.02Å; L52-T55 WeakPolarHBondContact O-CB 3.43Å; L52-T55 PolarHBondContact O-N 3.43Å; L52-T56 PolarHBondContact O-N 3.13Å
53K89.1Confident88.3Confident153 Ų15377.4 Ų77.467%0.66538%0.375SS*.Hα-helixtrans-64.8-27.7177.9-70.3177.5-176.7179.30113.2E49 K50 I51 T56E49-K53 PolarHBondContact O-N 3.4Å; K50-K53 PolarHBondContact O-N 3.47Å; I51-K53 VanDerWaalsContact C-N 3.28Å; I51-K53 PolarHBondContact O-N 2.77Å; K53-T56 PolarHBondContact O-OG1 3.18Å
54L87.9Confident87.8Confident112 Ų11281.6 Ų81.659%0.58640%0.399SS*.Hα-helixtrans-80.6-36.1175.4-62.2170.9000110.9I51 L52 T56 N57I51-L54 WeakPolarHBondContact O-CB 3.41Å; I51-L54 PolarHBondContact O-N 2.87Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 PolarHBondContact O-N 3.02Å; L54-T56 PolarHBondContact O-N 3.24Å; L54-N57 WeakPolarHBondContact O-CB 3.48Å; L54-N57 PolarHBondContact O-N 3.27Å; L54-N57 VanDerWaalsContact O-N 3.16Å; L54-N57 PolarHBondContact O-ND2 3.45Å
55T86.6Confident87.3Confident14 Ų1484.8 Ų84.89%0.08642%0.422CS..Hα-helixtrans-62.7-26-179.7-53.20000113.1M1 I51 L52 N57 F58 L63 V66M1-T55 HydrophobicContact SD-CG2 4.23Å; I51-T55 PolarHBondContact O-N 3.16Å; I51-T55 PolarHBondContact O-OG1 2.99Å; L52-T55 WeakPolarHBondContact O-CB 3.43Å; L52-T55 PolarHBondContact O-N 3.43Å; T55-N57 PolarHBondContact O-N 2.55Å; T55-N57 VanDerWaalsContact O-N 3.15Å; T55-F58 PolarHBondContact O-N 3.38Å; T55-F58 VanDerWaalsContact O-N 3.09Å; T55-L63 HydrophobicContact CG2-CD1 3.2Å; T55-V66 HydrophobicContact CG2-CG2 3.88Å
56T84.9Confident86.9Confident107 Ų10785.8 Ų85.866%0.65643%0.428SS*.THydrogen-bonded Turntrans-63.7-16.8176.851.30000113.8L52 K53 L54 F58L52-T56 PolarHBondContact O-N 3.13Å; K53-T56 PolarHBondContact O-OG1 3.18Å; L54-T56 PolarHBondContact O-N 3.24Å; T56-F58 VanDerWaalsContact C-N 3.26Å; T56-F58 PolarHBondContact O-N 3.03Å
57N87.3Confident86.7Confident129 Ų12988 Ų8869%0.6945%0.452SS*.THydrogen-bonded Turntrans-76.6-12.8175.9-63-33.5000113.2L54 T55L54-N57 WeakPolarHBondContact O-CB 3.48Å; L54-N57 PolarHBondContact O-N 3.27Å; L54-N57 VanDerWaalsContact O-N 3.16Å; L54-N57 PolarHBondContact O-ND2 3.45Å; T55-N57 PolarHBondContact O-N 2.55Å; T55-N57 VanDerWaalsContact O-N 3.15Å
58F86.4Confident86.7Confident141 Ų14189.6 Ų89.662%0.61846%0.462SS*.SBendtrans-102.2141-179-62.4-85.2000111.4T55 T56T55-F58 PolarHBondContact O-N 3.38Å; T55-F58 VanDerWaalsContact O-N 3.09Å; T56-F58 VanDerWaalsContact C-N 3.26Å; T56-F58 PolarHBondContact O-N 3.03Å
59S85.2Confident86.7Confident57 Ų5789.2 Ų89.240%0.39946%0.459SS..  trans-68.4148.9174.768.40000111D61 K62 L63S59-D61 PolarHBondContact O-N 2.83Å; S59-K62 PolarHBondContact O-N 2.93Å; S59-K62 WeakPolarHBondContact OG-CG 3.41Å; S59-L63 PolarHBondContact O-N 2.81Å
60R80.2Confident86.9Confident166 Ų16685.2 Ų85.263%0.62644%0.44SS*.G310 helixtrans-61-34.6-177-66-179.1179.6-179.92.3112.6H40 K62 L63H40-R60 PolarHBondContact CE1-O 3.27Å; H40-R60 VanDerWaalsContact CE1-O 3.31Å; R60-K62 VanDerWaalsContact C-N 3.35Å; R60-L63 PolarHBondContact O-N 2.98Å
61D81.6Confident87Confident150 Ų15078.2 Ų78.280%0.80241%0.41SS*.G310 helixtrans-75.3-26.2-176-49.1-41.1000112.7S59 L63S59-D61 PolarHBondContact O-N 2.83Å; D61-L63 VanDerWaalsContact C-N 3.34Å
62K84.6Confident87.1Confident176 Ų17677.7 Ų77.777%0.76541%0.405SS*.G310 helixtrans-86.8-9.4176.9-67.9-177.5180-177.10112.8S59 R60S59-K62 PolarHBondContact O-N 2.93Å; S59-K62 WeakPolarHBondContact OG-CG 3.41Å; R60-K62 VanDerWaalsContact C-N 3.35Å
63L82.8Confident87.3Confident16 Ų1677.4 Ų77.48%0.08440%0.402CS..  trans-93.1113.3-175.6-169.1149.6000109.7M1 H40 T55 S59 R60 D61 V66M1-L63 HydrophobicContact CE-CD2 3.4Å; M1-L63 VanDerWaalsContact CE-CD2 3.4Å; M1-L63 HydrophobicContact CG-CD1 4.26Å; M1-L63 HydrophobicContact CG-CD2 4.01Å; M1-L63 HydrophobicContact SD-CD2 4.32Å; H40-L63 PolarHBondContact NE2-O 3.31Å; T55-L63 HydrophobicContact CG2-CD1 3.2Å; S59-L63 PolarHBondContact O-N 2.81Å; R60-L63 PolarHBondContact O-N 2.98Å; D61-L63 VanDerWaalsContact C-N 3.34Å; L63-V66 HydrophobicContact CD1-CG2 3.72Å; L63-V66 HydrophobicContact CD2-CG2 3.94Å; L63-V66 HydrophobicContact CG-CG2 3.89Å
64I81.8Confident87.5Confident128 Ų12872.5 Ų72.566%0.65639%0.385SS*.  trans-88.9-61.4179.7-59173.3000109.5
65S83Confident87.6Confident68 Ų6877.7 Ų77.748%0.47640%0.403SS..  trans-144.2151.1179.564.60000110.8
66V85.7Confident87.8Confident26 Ų2682 Ų8216%0.15843%0.429CS..  trans-144.9131.5170.7-179.30000108.3M1 Y45 M47 I51 T55 L63M1-V66 HydrophobicContact CE-CB 3.62Å; M1-V66 HydrophobicContact CE-CG2 3.89Å; M1-V66 HydrophobicContact SD-CB 4.32Å; Y45-V66 WeakPolarHBondContact CB-O 3.12Å; Y45-V66 WeakPolarHBondContact CD1-O 3.33Å; M47-V66 HydrophobicContact CE-CB 3.51Å; M47-V66 HydrophobicContact CE-CG1 3.35Å; M47-V66 WeakPolarHBondContact CE-O 3.45Å; M47-V66 HydrophobicContact SD-CG1 3.9Å; I51-V66 HydrophobicContact CG2-CG1 3.57Å; T55-V66 HydrophobicContact CG2-CG2 3.88Å; L63-V66 HydrophobicContact CD1-CG2 3.72Å; L63-V66 HydrophobicContact CD2-CG2 3.94Å; L63-V66 HydrophobicContact CG-CG2 3.89Å
67G89.5Confident87.9Confident49 Ų4984.1 Ų84.151%0.50543%0.429SS..SBendtrans68.6-149.1-176.400000112.2
68T91.8Very high88.1Confident38 Ų3885.2 Ų85.223%0.23343%0.428CS..EExtended strand (participates in β ladder)trans-105127-177-520000110.6Y45 Y46 F70 T84 F88Y45-T68 CarbonylContact C-O 3.58Å; Y45-T68 WeakPolarHBondContact CA-O 3.3Å; Y46-T68 PolarHBondContact N-O 3.36Å; Y46-T68 PolarHBondContact O-N 2.97Å; T68-F70 HydrophobicContact CG2-CD2 4.46Å; T68-F70 HydrophobicContact CG2-CE2 4.47Å; T68-F70 PolarHBondContact O-N 3.09Å; T68-T84 VanDerWaalsContact CG2-O 3.28Å; T68-T84 WeakPolarHBondContact CG2-O 3.26Å; T68-F88 HydrophobicContact CG2-CD2 4.17Å; T68-F88 HydrophobicContact CG2-CE2 3.63Å; T68-F88 WeakPolarHBondContact OG1-CE2 3.5Å
69C92.3Very high88.4Confident10 Ų1079.1 Ų79.17%0.06840%0.401CS..EExtended strand (participates in β ladder)trans-67.9123.3170.9-175.10000109.4Y45 T84Y45-C69 HydrophobicContact CD1-CB 4.14Å; Y45-C69 HydrophobicContact CE1-CB 3.89Å; C69-T84 VanDerWaalsContact O-CB 3.26Å; C69-T84 WeakPolarHBondContact O-CB 3.34Å; C69-T84 PolarHBondContact O-OG1 2.94Å
70F93.6Very high88.8Confident0 Ų083 Ų830%041%0.407CS..EExtended strand (participates in β ladder)trans-90.1-23.2173.3-94.8-131.2000111.9M12 L16 L27 F37 V44 Y46 T68 F79 L81 H82 A85 F88M12-F70 HydrophobicContact CE-CB 4.2Å; M12-F70 HydrophobicContact CE-CD1 4.17Å; L16-F70 HydrophobicContact CD1-CD1 4.44Å; L16-F70 HydrophobicContact CD2-CD1 4.27Å; L27-F70 HydrophobicContact CD1-CE1 4.34Å; F37-F70 AromaticContact CE1-CD1 3.83Å; F37-F70 HydrophobicContact CE1-CD1 3.83Å; F37-F70 AromaticContact CE1-CE1 3.94Å; F37-F70 HydrophobicContact CE1-CE1 3.94Å; F37-F70 HydrophobicContact CE1-CG 4.14Å; F37-F70 HydrophobicContact CE1-CZ 4.35Å; F37-F70 HydrophobicContact CZ-CD1 4.48Å; F37-F70 HydrophobicContact CZ-CE1 4.28Å; V44-F70 PolarHBondContact O-N 2.91Å; Y46-F70 VanDerWaalsContact CB-CD2 3.45Å; Y46-F70 AromaticContact CD1-CE2 3.67Å; Y46-F70 HydrophobicContact CD1-CE2 3.67Å; Y46-F70 AromaticContact CD1-CZ 4Å; Y46-F70 HydrophobicContact CD1-CZ 4Å; Y46-F70 HydrophobicContact CD2-CE2 4.48Å; Y46-F70 HydrophobicContact CD2-CZ 4.4Å; Y46-F70 HydrophobicContact CG-CD2 4.22Å; Y46-F70 AromaticContact CG-CE2 3.59Å; Y46-F70 HydrophobicContact CG-CE2 3.59Å; Y46-F70 AromaticContact CG-CZ 3.89Å; Y46-F70 HydrophobicContact CG-CZ 3.89Å; T68-F70 HydrophobicContact CG2-CD2 4.46Å; T68-F70 HydrophobicContact CG2-CE2 4.47Å; T68-F70 PolarHBondContact O-N 3.09Å; F70-F79 HydrophobicContact CB-CZ 4.34Å; F70-L81 WeakPolarHBondContact O-CD1 3.2Å; F70-H82 PolarHBondContact O-N 3.13Å; F70-A85 HydrophobicContact CB-CB 4.36Å; F70-A85 HydrophobicContact CD1-CB 3.94Å; F70-A85 HydrophobicContact CD2-CB 4.12Å; F70-A85 HydrophobicContact CE1-CB 4.24Å; F70-A85 HydrophobicContact CE2-CB 4.39Å; F70-A85 HydrophobicContact CG-CB 3.89Å; F70-A85 HydrophobicContact CZ-CB 4.47Å; F70-F88 HydrophobicContact CE2-CB 4.21Å; F70-F88 AromaticContact CE2-CD2 3.8Å; F70-F88 HydrophobicContact CE2-CD2 3.8Å; F70-F88 HydrophobicContact CE2-CE2 4.46Å; F70-F88 HydrophobicContact CE2-CG 4.03Å; F70-F88 HydrophobicContact CZ-CB 3.62Å; F70-F88 HydrophobicContact CZ-CD2 4.1Å; F70-F88 AromaticContact CZ-CG 3.9Å; F70-F88 HydrophobicContact CZ-CG 3.9Å
71G93.3Very high89.4Confident0 Ų075.8 Ų75.80%038%0.381CS..EExtended strand (participates in β ladder)trans159.4-169.3-177.400000112.2R43 V44 R80R43-G71 CarbonylContact C-O 3.57Å; R43-G71 WeakPolarHBondContact CA-O 3.43Å; V44-G71 PolarHBondContact N-O 2.87Å; G71-R80 CarbonylContact C-O 3.53Å; G71-R80 WeakPolarHBondContact CA-O 3.3Å
72K93.2Very high89.9Confident63 Ų6369 Ų6927%0.27434%0.344SS..EExtended strand (participates in β ladder)trans-138.2153-18069.8-173173.9-169.50112.7D42 R43 R80D42-K72 CarbonylContact O-C 3.58Å; D42-K72 VanDerWaalsContact O-CA 3.26Å; D42-K72 WeakPolarHBondContact O-CA 3.5Å; D42-K72 WeakPolarHBondContact O-CB 3.44Å; R43-K72 HydrophobicContact CG-CB 4.02Å; K72-R80 PolarHBondContact N-O 2.89Å; K72-R80 PolarHBondContact O-N 2.93Å
73F93.4Very high90.4Very high23 Ų2360.7 Ų60.710%0.10131%0.308CS..EExtended strand (participates in β ladder)trans-78.9132.4167.9-73.9-76.4000109.9L4 E8 T11 M12 L39 D42 V44 F79L4-F73 HydrophobicContact CD2-CE2 4.44Å; E8-F73 HydrophobicContact CB-CE1 4.44Å; E8-F73 HydrophobicContact CB-CE2 4.07Å; E8-F73 HydrophobicContact CB-CZ 3.72Å; E8-F73 HydrophobicContact CG-CE1 4.48Å; E8-F73 HydrophobicContact CG-CE2 4.2Å; E8-F73 HydrophobicContact CG-CZ 4.05Å; E8-F73 WeakPolarHBondContact O-CZ 3.28Å; T11-F73 WeakPolarHBondContact OG1-CE1 3.19Å; M12-F73 HydrophobicContact CB-CZ 4.47Å; L39-F73 HydrophobicContact CD1-CD2 3.71Å; L39-F73 HydrophobicContact CD1-CE2 3.85Å; D42-F73 PolarHBondContact O-N 3.4Å; V44-F73 HydrophobicContact CG2-CD2 4.03Å; V44-F73 HydrophobicContact CG2-CE2 3.56Å; F73-F79 HydrophobicContact CD1-CB 4.3Å; F73-F79 HydrophobicContact CD1-CD2 4.29Å; F73-F79 HydrophobicContact CD2-CD2 4.38Å; F73-F79 HydrophobicContact CE1-CB 3.96Å; F73-F79 HydrophobicContact CE1-CD2 4.02Å; F73-F79 HydrophobicContact CE1-CG 4.44Å; F73-F79 HydrophobicContact CE2-CD2 4.12Å; F73-F79 HydrophobicContact CG-CD2 4.46Å; F73-F79 AromaticContact CZ-CD2 3.92Å; F73-F79 HydrophobicContact CZ-CD2 3.92Å
74T91.8Very high90.8Very high49 Ų4961.1 Ų61.130%0.30131%0.312SS..  trans-77163.9170.262.80000110T76 K77 K78 R80T74-T76 PolarHBondContact O-N 3.23Å; T74-T76 PolarHBondContact OG1-N 2.81Å; T74-T76 PolarHBondContact OG1-OG1 3.24Å; T74-K77 WeakPolarHBondContact O-CA 3.28Å; T74-K77 PolarHBondContact O-N 3.02Å; T74-K78 PolarHBondContact N-O 3.11Å; T74-K78 PolarHBondContact OG1-N 2.85Å; T74-K78 VanDerWaalsContact OG1-N 3.07Å; T74-K78 PolarHBondContact OG1-O 3.27Å; T74-R80 HydrophobicContact CG2-CB 4.36Å
75K90.3Very high91.4Very high222 Ų22255 Ų5597%0.96528%0.281SS*.THydrogen-bonded Turntrans-55.1-26.5171.5-62-174179.8-177.70112.9K77K75-K77 PolarHBondContact O-N 3.43Å
76T91.4Very high91.9Very high104 Ų10452 Ų5264%0.63826%0.259SS*.THydrogen-bonded Turntrans-83.713.9174.851.60000114T74 K78T74-T76 PolarHBondContact O-N 3.23Å; T74-T76 PolarHBondContact OG1-N 2.81Å; T74-T76 PolarHBondContact OG1-OG1 3.24Å; T76-K78 PolarHBondContact O-N 3.34Å; T76-K78 VanDerWaalsContact O-N 3.16Å
77K87.1Confident92.3Very high152 Ų15256.3 Ų56.366%0.66128%0.281SS*.SBendtrans57.322.1-177.6-61-173.3173.1-172.90114.8T74 K75T74-K77 WeakPolarHBondContact O-CA 3.28Å; T74-K77 PolarHBondContact O-N 3.02Å; K75-K77 PolarHBondContact O-N 3.43Å
78K91.1Very high92.4Very high152 Ų15256.1 Ų56.166%0.66127%0.266SS*.  trans-90.7139.6172.9-64-172.7178.5-179.40109.5T74 T76 R80T74-K78 PolarHBondContact N-O 3.11Å; T74-K78 PolarHBondContact OG1-N 2.85Å; T74-K78 VanDerWaalsContact OG1-N 3.07Å; T74-K78 PolarHBondContact OG1-O 3.27Å; T76-K78 PolarHBondContact O-N 3.34Å; T76-K78 VanDerWaalsContact O-N 3.16Å; K78-R80 PolarHBondContact O-N 3.03Å
79F93.4Very high92.5Very high13 Ų1354.3 Ų54.36%0.05726%0.255CS..EExtended strand (participates in β ladder)trans-82.9117175.4-171.5-108.9000110.7M12 K15 V44 F70 F73 L81M12-F79 HydrophobicContact CB-CG 4.39Å; M12-F79 HydrophobicContact CE-CZ 4.3Å; M12-F79 HydrophobicContact CG-CD1 4.17Å; M12-F79 HydrophobicContact CG-CD2 4.46Å; M12-F79 HydrophobicContact CG-CE1 3.98Å; M12-F79 HydrophobicContact CG-CE2 4.3Å; M12-F79 HydrophobicContact CG-CG 4.41Å; M12-F79 HydrophobicContact CG-CZ 4.05Å; K15-F79 HydrophobicContact CB-CB 4.49Å; K15-F79 HydrophobicContact CB-CD1 3.99Å; K15-F79 HydrophobicContact CG-CD1 4.01Å; V44-F79 HydrophobicContact CB-CE2 3.94Å; V44-F79 HydrophobicContact CB-CZ 4.39Å; V44-F79 HydrophobicContact CG2-CD2 4.41Å; V44-F79 HydrophobicContact CG2-CE2 3.7Å; F70-F79 HydrophobicContact CB-CZ 4.34Å; F73-F79 HydrophobicContact CD1-CB 4.3Å; F73-F79 HydrophobicContact CD1-CD2 4.29Å; F73-F79 HydrophobicContact CD2-CD2 4.38Å; F73-F79 HydrophobicContact CE1-CB 3.96Å; F73-F79 HydrophobicContact CE1-CD2 4.02Å; F73-F79 HydrophobicContact CE1-CG 4.44Å; F73-F79 HydrophobicContact CE2-CD2 4.12Å; F73-F79 HydrophobicContact CG-CD2 4.46Å; F73-F79 AromaticContact CZ-CD2 3.92Å; F73-F79 HydrophobicContact CZ-CD2 3.92Å; F79-L81 HydrophobicContact CE1-CD1 3.91Å
80R92.3Very high92.5Very high139 Ų13954 Ų5453%0.52525%0.254SS..EExtended strand (participates in β ladder)trans-96.4112.2171.9-176.5174.7178.3167.4-2.5108.6G71 K72 T74 K78G71-R80 CarbonylContact C-O 3.53Å; G71-R80 WeakPolarHBondContact CA-O 3.3Å; K72-R80 PolarHBondContact N-O 2.89Å; K72-R80 PolarHBondContact O-N 2.93Å; T74-R80 HydrophobicContact CG2-CB 4.36Å; K78-R80 PolarHBondContact O-N 3.03Å
81L92.9Very high92.5Very high13 Ų1358.1 Ų58.17%0.06828%0.28CS..EExtended strand (participates in β ladder)trans-69.8135.2175.3-167.872.9000109.7L16 Y19 F70 F79 A85 L89 F143L16-L81 HydrophobicContact CD2-CD1 3.58Å; Y19-L81 HydrophobicContact CD2-CD2 4.15Å; Y19-L81 HydrophobicContact CE2-CD2 3.86Å; F70-L81 WeakPolarHBondContact O-CD1 3.2Å; F79-L81 HydrophobicContact CE1-CD1 3.91Å; L81-A85 HydrophobicContact CD1-CB 3.98Å; L81-A85 HydrophobicContact CG-CB 4.42Å; L81-L89 HydrophobicContact CD1-CD1 4.03Å; L81-L89 HydrophobicContact CD2-CD1 3.92Å; L81-F143 HydrophobicContact CD2-CD1 4.1Å; L81-F143 HydrophobicContact CD2-CD2 3.74Å; L81-F143 HydrophobicContact CD2-CE1 3.98Å; L81-F143 HydrophobicContact CD2-CE2 3.61Å; L81-F143 HydrophobicContact CD2-CG 4Å; L81-F143 HydrophobicContact CD2-CZ 3.73Å; L81-F143 HydrophobicContact CG-CD2 4.38Å; L81-F143 HydrophobicContact CG-CE2 4.11Å
82H93.2Very high92.5Very high8 Ų861.1 Ų61.14%0.03729%0.292CS..  trans-99.3157.9175.3-78-155.8000110.8F70 T84 A85 T178 L179F70-H82 PolarHBondContact O-N 3.13Å; H82-T84 WeakPolarHBondContact CB-OG1 3.44Å; H82-T84 PolarHBondContact O-N 3.47Å; H82-A85 PolarHBondContact O-N 3.41Å; H82-T178 PolarHBondContact CE1-O 3.24Å; H82-L179 HydrophobicContact CB-CD2 4.39Å
83I94Very high92.5Very high1 Ų158.5 Ų58.51%0.00528%0.282CS..G310 helixtrans-63.1-27180-168.564.4000113.5A85 L86 F143 A167 D168 V169 E171 F172 L179I83-A85 PolarHBondContact O-N 2.94Å; I83-L86 HydrophobicContact CD1-CB 4.19Å; I83-L86 HydrophobicContact CD1-CD2 3.9Å; I83-L86 WeakPolarHBondContact O-CB 3.47Å; I83-L86 PolarHBondContact O-N 2.92Å; I83-F143 HydrophobicContact CD1-CD2 4.43Å; I83-A167 HydrophobicContact CB-CB 4.3Å; I83-A167 HydrophobicContact CD1-CB 4.31Å; I83-D168 VanDerWaalsContact CD1-C 3.46Å; I83-D168 VanDerWaalsContact CG1-C 3.47Å; I83-D168 WeakPolarHBondContact CG1-O 3.49Å; I83-V169 HydrophobicContact CD1-CG1 4.09Å; I83-V169 HydrophobicContact CG1-CB 4.48Å; I83-V169 HydrophobicContact CG1-CG1 3.91Å; I83-E171 HydrophobicContact CG2-CB 4.27Å; I83-F172 HydrophobicContact CG1-CE2 4.32Å; I83-F172 HydrophobicContact CG2-CD2 4.43Å; I83-F172 HydrophobicContact CG2-CE1 4.11Å; I83-F172 HydrophobicContact CG2-CE2 3.95Å; I83-F172 HydrophobicContact CG2-CZ 3.78Å; I83-L179 HydrophobicContact CG2-CD1 4.23Å; I83-L179 HydrophobicContact CG2-CD2 3.95Å
84T92.6Very high92.3Very high26 Ų2664.2 Ų64.216%0.1631%0.307CS..G310 helixtrans-56.7-19.9176.142.10000114T68 C69 H82 L86 F172T68-T84 VanDerWaalsContact CG2-O 3.28Å; T68-T84 WeakPolarHBondContact CG2-O 3.26Å; C69-T84 VanDerWaalsContact O-CB 3.26Å; C69-T84 WeakPolarHBondContact O-CB 3.34Å; C69-T84 PolarHBondContact O-OG1 2.94Å; H82-T84 WeakPolarHBondContact CB-OG1 3.44Å; H82-T84 PolarHBondContact O-N 3.47Å; T84-L86 VanDerWaalsContact C-N 3.3Å; T84-F172 HydrophobicContact CG2-CE1 3.63Å; T84-F172 HydrophobicContact CG2-CZ 3.89Å
85A93.4Very high92.5Very high0 Ų063 Ų630%030%0.297CS..G310 helixtrans-79.7-8174.300000113.9F70 L81 H82 I83 D87 F88 L89 F143F70-A85 HydrophobicContact CB-CB 4.36Å; F70-A85 HydrophobicContact CD1-CB 3.94Å; F70-A85 HydrophobicContact CD2-CB 4.12Å; F70-A85 HydrophobicContact CE1-CB 4.24Å; F70-A85 HydrophobicContact CE2-CB 4.39Å; F70-A85 HydrophobicContact CG-CB 3.89Å; F70-A85 HydrophobicContact CZ-CB 4.47Å; L81-A85 HydrophobicContact CD1-CB 3.98Å; L81-A85 HydrophobicContact CG-CB 4.42Å; H82-A85 PolarHBondContact O-N 3.41Å; I83-A85 PolarHBondContact O-N 2.94Å; A85-D87 PolarHBondContact O-N 2.99Å; A85-F88 PolarHBondContact O-N 3.26Å; A85-L89 HydrophobicContact CB-CD1 3.69Å; A85-L89 HydrophobicContact CB-CG 4.47Å; A85-L89 WeakPolarHBondContact O-CB 3.29Å; A85-L89 WeakPolarHBondContact O-CG 3.38Å; A85-L89 PolarHBondContact O-N 2.97Å; A85-F143 HydrophobicContact CB-CE2 4.49Å; A85-F143 HydrophobicContact CB-CZ 4.42Å
86L94.7Very high92.8Very high3 Ų354.8 Ų54.82%0.01626%0.261CS..Hα-helixtrans-59.2-46.9-171-177.565.2000112.6I83 T84 F88 L89 A90 V132 P140 F143 V169I83-L86 HydrophobicContact CD1-CB 4.19Å; I83-L86 HydrophobicContact CD1-CD2 3.9Å; I83-L86 WeakPolarHBondContact O-CB 3.47Å; I83-L86 PolarHBondContact O-N 2.92Å; T84-L86 VanDerWaalsContact C-N 3.3Å; L86-F88 PolarHBondContact O-N 2.7Å; L86-L89 PolarHBondContact O-N 3.48Å; L86-L89 VanDerWaalsContact O-N 3.13Å; L86-A90 HydrophobicContact CD1-CB 4.28Å; L86-A90 WeakPolarHBondContact O-CB 3.24Å; L86-A90 PolarHBondContact O-N 3.44Å; L86-V132 HydrophobicContact CD1-CG1 3.75Å; L86-P140 HydrophobicContact CD1-CB 4.15Å; L86-P140 HydrophobicContact CD2-CB 3.92Å; L86-P140 HydrophobicContact CD2-CG 4.46Å; L86-P140 HydrophobicContact CG-CB 3.98Å; L86-F143 HydrophobicContact CB-CE2 4.22Å; L86-F143 HydrophobicContact CB-CZ 4.12Å; L86-F143 HydrophobicContact CD1-CD1 4.46Å; L86-F143 HydrophobicContact CD1-CE1 3.99Å; L86-F143 HydrophobicContact CD1-CE2 4.36Å; L86-F143 HydrophobicContact CD1-CZ 3.93Å; L86-V169 HydrophobicContact CD2-CG1 3.62Å
87D92.3Very high93Very high117 Ų11749.8 Ų49.863%0.62623%0.231SC*.Hα-helixtrans-62.9-31.5-176.9-60.4-36.3000112.7A85 P91A85-D87 PolarHBondContact O-N 2.99Å; D87-P91 WeakPolarHBondContact O-CD 3.26Å
88F92.5Very high93.5Very high46 Ų4643.9 Ų43.920%0.20220%0.204CC..Hα-helixtrans-80.3-34.6177.6-63.1-81.9000112.1L27 Y46 T68 F70 A85 L86 Y92L27-F88 HydrophobicContact CD2-CB 4.14Å; Y46-F88 HydrophobicContact CD1-CD1 4.07Å; Y46-F88 AromaticContact CD1-CE1 3.97Å; Y46-F88 HydrophobicContact CD1-CE1 3.97Å; Y46-F88 HydrophobicContact CD1-CG 4.44Å; Y46-F88 HydrophobicContact CD1-CZ 4.26Å; Y46-F88 AromaticContact CE1-CD1 3.6Å; Y46-F88 HydrophobicContact CE1-CD1 3.6Å; Y46-F88 AromaticContact CE1-CE1 3.59Å; Y46-F88 HydrophobicContact CE1-CE1 3.59Å; Y46-F88 HydrophobicContact CE1-CG 4.32Å; Y46-F88 HydrophobicContact CE1-CZ 4.32Å; T68-F88 HydrophobicContact CG2-CD2 4.17Å; T68-F88 HydrophobicContact CG2-CE2 3.63Å; T68-F88 WeakPolarHBondContact OG1-CE2 3.5Å; F70-F88 HydrophobicContact CE2-CB 4.21Å; F70-F88 AromaticContact CE2-CD2 3.8Å; F70-F88 HydrophobicContact CE2-CD2 3.8Å; F70-F88 HydrophobicContact CE2-CE2 4.46Å; F70-F88 HydrophobicContact CE2-CG 4.03Å; F70-F88 HydrophobicContact CZ-CB 3.62Å; F70-F88 HydrophobicContact CZ-CD2 4.1Å; F70-F88 AromaticContact CZ-CG 3.9Å; F70-F88 HydrophobicContact CZ-CG 3.9Å; A85-F88 PolarHBondContact O-N 3.26Å; L86-F88 PolarHBondContact O-N 2.7Å; F88-Y92 WeakPolarHBondContact O-CD2 3.22Å; F88-Y92 WeakPolarHBondContact O-CE2 3.49Å
89L93.2Very high93.8Very high0 Ų036.6 Ų36.60%017%0.173CC..Hα-helixtrans-89.3-33-175-69.9167.4000113.2L16 I20 L27 L81 A85 L86 Y92 A93 F143L16-L89 HydrophobicContact CD2-CD1 3.83Å; L16-L89 HydrophobicContact CD2-CD2 3.99Å; I20-L89 HydrophobicContact CB-CD2 4.43Å; I20-L89 HydrophobicContact CD1-CD2 3.68Å; I20-L89 HydrophobicContact CG1-CD2 3.99Å; I20-L89 HydrophobicContact CG2-CB 4.16Å; I20-L89 HydrophobicContact CG2-CD2 3.56Å; I20-L89 HydrophobicContact CG2-CG 4.5Å; I20-L89 WeakPolarHBondContact CG2-O 3.38Å; L27-L89 HydrophobicContact CD1-CD2 3.99Å; L81-L89 HydrophobicContact CD1-CD1 4.03Å; L81-L89 HydrophobicContact CD2-CD1 3.92Å; A85-L89 HydrophobicContact CB-CD1 3.69Å; A85-L89 HydrophobicContact CB-CG 4.47Å; A85-L89 WeakPolarHBondContact O-CB 3.29Å; A85-L89 WeakPolarHBondContact O-CG 3.38Å; A85-L89 PolarHBondContact O-N 2.97Å; L86-L89 PolarHBondContact O-N 3.48Å; L86-L89 VanDerWaalsContact O-N 3.13Å; L89-Y92 PolarHBondContact O-N 3.4Å; L89-A93 PolarHBondContact O-N 3.26Å; L89-F143 HydrophobicContact CB-CE1 4.04Å; L89-F143 HydrophobicContact CB-CZ 4.1Å; L89-F143 HydrophobicContact CD1-CE1 3.9Å; L89-F143 HydrophobicContact CD1-CZ 3.57Å; L89-F143 HydrophobicContact CG-CZ 4.44Å
90A93.9Very high93.9Very high4 Ų440.6 Ų40.63%0.03319%0.19CC..THydrogen-bonded Turntrans-56.4-44-175.200000113.6L86 Y92 A93 K96 V132 Y134 P140L86-A90 HydrophobicContact CD1-CB 4.28Å; L86-A90 WeakPolarHBondContact O-CB 3.24Å; L86-A90 PolarHBondContact O-N 3.44Å; A90-Y92 VanDerWaalsContact C-N 3.29Å; A90-Y92 PolarHBondContact O-N 3.49Å; A90-A93 PolarHBondContact O-N 3.23Å; A90-K96 PolarHBondContact O-NZ 3.37Å; A90-V132 HydrophobicContact CB-CG1 4.26Å; A90-Y134 WeakPolarHBondContact CB-OH 3.4Å; A90-Y134 PolarHBondContact O-OH 2.82Å; A90-P140 HydrophobicContact CB-CB 3.86Å; A90-P140 HydrophobicContact CB-CG 4.28Å
91P92.4Very high94Very high85 Ų8538.5 Ų38.555%0.55219%0.194SC*.THydrogen-bonded Turntrans-62.3-35.3178.6-23.935.2000113.2D87D87-P91 WeakPolarHBondContact O-CD 3.26Å
92Y92.6Very high93.8Very high64 Ų6441.4 Ų41.425%0.25123%0.227SC..THydrogen-bonded Turntrans-95.4-2.1-175.3-53.3-61.7000113.8N23 L26 L27 F88 L89 A90 K94N23-Y92 PolarHBondContact ND2-O 3.29Å; N23-Y92 VanDerWaalsContact ND2-O 3.07Å; L26-Y92 HydrophobicContact CB-CD1 4.25Å; L26-Y92 HydrophobicContact CB-CE1 3.87Å; L26-Y92 HydrophobicContact CD1-CD1 3.67Å; L26-Y92 HydrophobicContact CD1-CE1 3.7Å; L26-Y92 HydrophobicContact CG-CE1 4.41Å; L27-Y92 HydrophobicContact CD2-CD2 3.91Å; L27-Y92 HydrophobicContact CD2-CE2 3.75Å; L27-Y92 HydrophobicContact CG-CD2 4.41Å; F88-Y92 WeakPolarHBondContact O-CD2 3.22Å; F88-Y92 WeakPolarHBondContact O-CE2 3.49Å; L89-Y92 PolarHBondContact O-N 3.4Å; A90-Y92 VanDerWaalsContact C-N 3.29Å; A90-Y92 PolarHBondContact O-N 3.49Å; Y92-K94 PolarHBondContact O-N 3.23Å
93A93.2Very high93.8Very high7 Ų741.7 Ų41.76%0.05823%0.231CC..  trans-67.5122.5-177.900000111.3L89 A90 K96 V132L89-A93 PolarHBondContact O-N 3.26Å; A90-A93 PolarHBondContact O-N 3.23Å; A93-K96 WeakPolarHBondContact O-CE 3.38Å; A93-V132 HydrophobicContact CB-CB 3.98Å; A93-V132 HydrophobicContact CB-CG2 3.41Å; A93-V132 VanDerWaalsContact CB-CG2 3.41Å
94K90.4Very high93.9Very high144 Ų14444 Ų4463%0.62624%0.242SC*.SBendtrans-74.9-41-179.9-172.7175.2-178176.20111.8Y19 Y92Y19-K94 PolarHBondContact O-N 3.09Å; Y92-K94 PolarHBondContact O-N 3.23Å
95F95.3Very high93.9Very high24 Ų2448.5 Ų48.511%0.10526%0.261CS..SBendtrans-108.3119.5-177.9-57.4-76.3000110.7T122 N124 T125 Q129 V131 V132F95-T122 HydrophobicContact CD1-CG2 4.27Å; F95-N124 WeakPolarHBondContact CE1-O 3.3Å; F95-T125 HydrophobicContact CD1-CG2 4.35Å; F95-T125 WeakPolarHBondContact CD1-OG1 3.41Å; F95-Q129 HydrophobicContact CB-CG 4.33Å; F95-Q129 HydrophobicContact CD2-CG 3.39Å; F95-Q129 HydrophobicContact CE2-CG 3.69Å; F95-Q129 HydrophobicContact CG-CG 3.84Å; F95-Q129 HydrophobicContact CZ-CG 4.37Å; F95-V131 HydrophobicContact CB-CG1 3.92Å; F95-V131 WeakPolarHBondContact O-CA 3.27Å; F95-V132 PolarHBondContact O-N 3Å
96K96Very high93.9Very high48 Ų4850.5 Ų50.521%0.20928%0.275CS..EExtended strand (participates in β ladder)trans-124.7147.2-177.1-56.3-176.5-177.4-163.70110.8A90 A93 W98 T122 V132 Y134A90-K96 PolarHBondContact O-NZ 3.37Å; A93-K96 WeakPolarHBondContact O-CE 3.38Å; K96-W98 HydrophobicContact CB-CE3 4.3Å; K96-W98 HydrophobicContact CB-CH2 3.52Å; K96-W98 HydrophobicContact CB-CZ2 4.15Å; K96-W98 HydrophobicContact CB-CZ3 3.61Å; K96-W98 HydrophobicContact CD-CH2 4.1Å; K96-W98 HydrophobicContact CD-CZ2 4.24Å; K96-W98 HydrophobicContact CG-CH2 4.39Å; K96-T122 PolarHBondContact N-OG1 2.89Å; K96-T122 PolarHBondContact O-N 3.28Å; K96-T122 PolarHBondContact O-OG1 3.14Å; K96-V132 WeakPolarHBondContact CA-O 3.31Å; K96-Y134 HydrophobicContact CB-CD2 4.09Å; K96-Y134 HydrophobicContact CB-CE2 4.11Å; K96-Y134 HydrophobicContact CD-CD2 4.22Å; K96-Y134 HydrophobicContact CD-CE2 3.57Å; K96-Y134 HydrophobicContact CG-CD2 4.26Å; K96-Y134 HydrophobicContact CG-CE2 3.75Å; K96-Y134 PolarHBondContact NZ-OH 3.2Å; K96-Y134 VanDerWaalsContact NZ-OH 3.16Å
97V96.6Very high94Very high0 Ų050.4 Ų50.40%028%0.275CS..EExtended strand (participates in β ladder)trans-128.6130.4174.9174.40000108.7L118 R120 I121 V131 V132 V133 Y134 V163V97-L118 HydrophobicContact CG1-CD1 3.36Å; V97-R120 CarbonylContact C-O 3.57Å; V97-R120 WeakPolarHBondContact CA-O 3.25Å; V97-I121 HydrophobicContact CG2-CB 4.43Å; V97-I121 HydrophobicContact CG2-CD1 4.1Å; V97-I121 HydrophobicContact CG2-CG1 3.96Å; V97-V131 HydrophobicContact CG2-CB 4.04Å; V97-V131 HydrophobicContact CG2-CG1 4.21Å; V97-V131 HydrophobicContact CG2-CG2 4Å; V97-V132 PolarHBondContact N-O 2.85Å; V97-V133 CarbonylContact O-C 3.55Å; V97-V133 WeakPolarHBondContact O-CA 3.35Å; V97-Y134 PolarHBondContact O-N 3.22Å; V97-V163 HydrophobicContact CB-CG2 4.39Å; V97-V163 HydrophobicContact CG1-CG2 4.02Å; V97-V163 HydrophobicContact CG2-CG2 4.02Å
98W97.4Very high94Very high27 Ų2747 Ų4710%0.10226%0.256CS..EExtended strand (participates in β ladder)trans-102.6128.8175.2-66.1-106.8000109.8K96 G119 R120 Y134 M136 D138K96-W98 HydrophobicContact CB-CE3 4.3Å; K96-W98 HydrophobicContact CB-CH2 3.52Å; K96-W98 HydrophobicContact CB-CZ2 4.15Å; K96-W98 HydrophobicContact CB-CZ3 3.61Å; K96-W98 HydrophobicContact CD-CH2 4.1Å; K96-W98 HydrophobicContact CD-CZ2 4.24Å; K96-W98 HydrophobicContact CG-CH2 4.39Å; W98-G119 WeakPolarHBondContact O-CA 3.09Å; W98-G119 PolarHBondContact O-N 2.75Å; W98-R120 HydrophobicContact CB-CB 3.98Å; W98-R120 HydrophobicContact CD2-CB 4.1Å; W98-R120 HydrophobicContact CD2-CG 4.45Å; W98-R120 HydrophobicContact CE3-CB 3.71Å; W98-R120 HydrophobicContact CE3-CG 3.78Å; W98-R120 HydrophobicContact CG-CB 4.23Å; W98-R120 HydrophobicContact CZ3-CG 4.11Å; W98-R120 PolarHBondContact N-O 3.44Å; W98-R120 PolarHBondContact O-N 3.16Å; W98-Y134 CarbonylContact C-O 3.55Å; W98-Y134 VanDerWaalsContact CA-O 3.27Å; W98-Y134 WeakPolarHBondContact CA-O 3.43Å; W98-M136 HydrophobicContact CB-SD 4.05Å; W98-D138 PolarHBondContact NE1-OD1 3.41Å
99V96.9Very high94.1Very high0 Ų051.5 Ų51.50%027%0.273CS..EExtended strand (participates in β ladder)trans-104.9142.7179.3-62.20000111.1A103 E104 V113 G117 V133 Y134 M136 L141V99-A103 HydrophobicContact CB-CB 4.41Å; V99-E104 HydrophobicContact CG2-CB 4.1Å; V99-V113 HydrophobicContact CG1-CB 4.46Å; V99-V113 HydrophobicContact CG1-CG1 3.71Å; V99-V113 HydrophobicContact CG1-CG2 3.86Å; V99-G117 WeakPolarHBondContact CA-O 3.44Å; V99-V133 HydrophobicContact CG1-CG1 3.71Å; V99-V133 HydrophobicContact CG2-CG1 4.2Å; V99-Y134 WeakPolarHBondContact CG2-O 3.41Å; V99-Y134 PolarHBondContact N-O 2.84Å; V99-M136 WeakPolarHBondContact O-CG 3.43Å; V99-M136 PolarHBondContact O-N 2.82Å; V99-L141 HydrophobicContact CG2-CD1 3.5Å; V99-L141 VanDerWaalsContact CG2-CD1 3.5Å
100K96.4Very high94.1Very high97 Ų9752.6 Ų52.642%0.42228%0.284SS..  trans-69.7156.8174.2-64.4178.5-172.7165.80110.6G102 A103 E104 S116 G117 L118K100-G102 VanDerWaalsContact C-N 3.27Å; K100-G102 PolarHBondContact O-N 3.04Å; K100-G102 VanDerWaalsContact O-N 3.12Å; K100-A103 PolarHBondContact O-N 3.28Å; K100-E104 PolarHBondContact O-N 3.19Å; K100-S116 PolarHBondContact NZ-O 3.35Å; K100-G117 PolarHBondContact N-O 2.93Å; K100-L118 WeakPolarHBondContact CE-O 3.39Å
101P93.9Very high94.2Very high94 Ų9456.3 Ų56.361%0.6130%0.304SS*.Hα-helixtrans-52.5-38.7-178.6-29.435.7000114.8A103 E104P101-A103 VanDerWaalsContact C-N 3.26Å; P101-A103 PolarHBondContact O-N 3.22Å; P101-E104 WeakPolarHBondContact O-CB 3.29Å; P101-E104 PolarHBondContact O-N 3.01Å
102G88.7Confident94.4Very high74 Ų7456.1 Ų56.176%0.76330%0.295SS*.Hα-helixtrans-66.3-25.1178.100000114.5K100K100-G102 VanDerWaalsContact C-N 3.27Å; K100-G102 PolarHBondContact O-N 3.04Å; K100-G102 VanDerWaalsContact O-N 3.12Å
103A94.1Very high94.6Very high14 Ų1453.1 Ų53.112%0.11628%0.284CS..Hα-helixtrans-96.8-19.5176.500000113V99 K100 P101 S106 F107 G117V99-A103 HydrophobicContact CB-CB 4.41Å; K100-A103 PolarHBondContact O-N 3.28Å; P101-A103 VanDerWaalsContact C-N 3.26Å; P101-A103 PolarHBondContact O-N 3.22Å; A103-S106 PolarHBondContact O-N 2.75Å; A103-F107 WeakPolarHBondContact O-CB 3.44Å; A103-F107 PolarHBondContact O-N 2.79Å; A103-G117 VanDerWaalsContact CB-CA 3.48Å
104E94.4Very high94.7Very high51 Ų5156.1 Ų56.124%0.23830%0.298CS..Hα-helixtrans-58.5-53.8175.3176.6168.5-169.400111.2V99 K100 P101 S106 F107 L108 S135 L141V99-E104 HydrophobicContact CG2-CB 4.1Å; K100-E104 PolarHBondContact O-N 3.19Å; P101-E104 WeakPolarHBondContact O-CB 3.29Å; P101-E104 PolarHBondContact O-N 3.01Å; E104-S106 VanDerWaalsContact C-N 3.29Å; E104-S106 PolarHBondContact O-N 2.98Å; E104-F107 PolarHBondContact O-N 3.37Å; E104-F107 VanDerWaalsContact O-N 3.14Å; E104-L108 HydrophobicContact CG-CD1 4.26Å; E104-L108 WeakPolarHBondContact O-CG 3.42Å; E104-L108 PolarHBondContact O-N 2.85Å; E104-S135 WeakPolarHBondContact OE1-CB 3.49Å; E104-L141 HydrophobicContact CB-CD1 4.42Å; E104-L141 HydrophobicContact CG-CD1 3.82Å; E104-L141 HydrophobicContact CG-CD2 4.23Å
105Q92.9Very high95Very high120 Ų12051.7 Ų51.756%0.56128%0.279SS*.Hα-helixtrans-58.9-42.2177.4-175.4178.622.700111.8F107 L108 Y109Q105-F107 VanDerWaalsContact C-N 3.33Å; Q105-F107 PolarHBondContact O-N 2.74Å; Q105-L108 PolarHBondContact O-N 3.34Å; Q105-Y109 HydrophobicContact CG-CD2 3.86Å; Q105-Y109 HydrophobicContact CG-CE2 3.42Å; Q105-Y109 VanDerWaalsContact CG-CE2 3.42Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.36Å; Q105-Y109 PolarHBondContact O-N 2.96Å; Q105-Y109 VanDerWaalsContact O-N 3.12Å
106S94.8Very high94.9Very high42 Ų4253.6 Ų53.629%0.29430%0.295SS..Hα-helixtrans-61.6-42.1178-169.80000111.9A103 E104 Y109 N111A103-S106 PolarHBondContact O-N 2.75Å; E104-S106 VanDerWaalsContact C-N 3.29Å; E104-S106 PolarHBondContact O-N 2.98Å; S106-Y109 CarbonylContact O-C 3.6Å; S106-Y109 PolarHBondContact O-N 2.95Å; S106-N111 VanDerWaalsContact O-CB 3.29Å; S106-N111 WeakPolarHBondContact O-CB 3.49Å; S106-N111 PolarHBondContact O-N 2.85Å; S106-N111 VanDerWaalsContact O-N 3.12Å; S106-N111 PolarHBondContact O-ND2 2.79Å; S106-N111 WeakPolarHBondContact OG-CB 3.43Å; S106-N111 PolarHBondContact OG-ND2 3.34Å
107F95.6Very high94.9Very high1 Ų151.6 Ų51.60%0.00429%0.288CS..Hα-helixtrans-65.6-40.9177.1-175.4-98.5000112.3A103 E104 Q105 Y109 G110 V113 V133 L141 H165 D168A103-F107 WeakPolarHBondContact O-CB 3.44Å; A103-F107 PolarHBondContact O-N 2.79Å; E104-F107 PolarHBondContact O-N 3.37Å; E104-F107 VanDerWaalsContact O-N 3.14Å; Q105-F107 VanDerWaalsContact C-N 3.33Å; Q105-F107 PolarHBondContact O-N 2.74Å; F107-Y109 PolarHBondContact O-N 3.04Å; F107-G110 WeakPolarHBondContact O-CA 3.1Å; F107-G110 PolarHBondContact O-N 2.86Å; F107-V113 HydrophobicContact CD2-CG2 3.61Å; F107-V113 HydrophobicContact CE2-CG2 4.18Å; F107-V113 HydrophobicContact CG-CG2 4.38Å; F107-V133 HydrophobicContact CD1-CG1 4.17Å; F107-V133 HydrophobicContact CE1-CB 3.93Å; F107-V133 HydrophobicContact CE1-CG1 4Å; F107-V133 HydrophobicContact CE1-CG2 4.28Å; F107-V133 HydrophobicContact CE2-CB 4.35Å; F107-V133 HydrophobicContact CE2-CG1 4.33Å; F107-V133 HydrophobicContact CE2-CG2 3.87Å; F107-V133 HydrophobicContact CG-CG1 4.42Å; F107-V133 HydrophobicContact CZ-CB 3.8Å; F107-V133 HydrophobicContact CZ-CG1 4.09Å; F107-V133 HydrophobicContact CZ-CG2 3.62Å; F107-L141 HydrophobicContact CD1-CB 4.09Å; F107-L141 HydrophobicContact CE1-CB 4.1Å; F107-H165 AromaticContact CD2-CD2 3.93Å; F107-H165 HydrophobicContact CE2-CB 4.1Å; F107-H165 AromaticContact CE2-CD2 3.55Å; F107-H165 AromaticContact CZ-CD2 3.79Å; F107-D168 HydrophobicContact CD1-CB 4.01Å; F107-D168 HydrophobicContact CE1-CB 3.68Å; F107-D168 HydrophobicContact CZ-CB 4.35Å
108L93.4Very high94.8Very high45 Ų4552.2 Ų52.224%0.23629%0.291CS..Hα-helixtrans-67.1-15.7174.9-65.4178000113.5E104 Q105 G110 L141 D168 V169 R174E104-L108 HydrophobicContact CG-CD1 4.26Å; E104-L108 WeakPolarHBondContact O-CG 3.42Å; E104-L108 PolarHBondContact O-N 2.85Å; Q105-L108 PolarHBondContact O-N 3.34Å; L108-G110 VanDerWaalsContact C-N 3.33Å; L108-L141 HydrophobicContact CD2-CB 4.47Å; L108-L141 HydrophobicContact CD2-CD2 4.23Å; L108-D168 WeakPolarHBondContact CA-OD1 2.97Å; L108-D168 HydrophobicContact CD2-CB 4.49Å; L108-V169 HydrophobicContact CD2-CG2 3.35Å; L108-R174 PolarHBondContact O-NE 2.83Å; L108-R174 PolarHBondContact O-NH2 2.88Å
109Y93.1Very high94.6Very high140 Ų14052.7 Ų52.755%0.54931%0.305SS..THydrogen-bonded Turntrans-92.913167.7-68.5-52000113.3Q105 S106 F107 R174Q105-Y109 HydrophobicContact CG-CD2 3.86Å; Q105-Y109 HydrophobicContact CG-CE2 3.42Å; Q105-Y109 VanDerWaalsContact CG-CE2 3.42Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.36Å; Q105-Y109 PolarHBondContact O-N 2.96Å; Q105-Y109 VanDerWaalsContact O-N 3.12Å; S106-Y109 CarbonylContact O-C 3.6Å; S106-Y109 PolarHBondContact O-N 2.95Å; F107-Y109 PolarHBondContact O-N 3.04Å; Y109-R174 PolarHBondContact O-NH1 3.28Å
110G93.2Very high94.5Very high23 Ų2360.4 Ų60.424%0.23733%0.334CS..THydrogen-bonded Turntrans81.912174.800000114.5F107 L108F107-G110 WeakPolarHBondContact O-CA 3.1Å; F107-G110 PolarHBondContact O-N 2.86Å; L108-G110 VanDerWaalsContact C-N 3.33Å
111N95.9Very high94.5Very high83 Ų8357 Ų5744%0.44432%0.32SS..PPolyproline II helixtrans-84.7158.4177-60.5-55.5000111.9S106S106-N111 VanDerWaalsContact O-CB 3.29Å; S106-N111 WeakPolarHBondContact O-CB 3.49Å; S106-N111 PolarHBondContact O-N 2.85Å; S106-N111 VanDerWaalsContact O-N 3.12Å; S106-N111 PolarHBondContact O-ND2 2.79Å; S106-N111 WeakPolarHBondContact OG-CB 3.43Å; S106-N111 PolarHBondContact OG-ND2 3.34Å
112H96.9Very high94.6Very high80 Ų8054.3 Ų54.337%0.3730%0.302SS..PPolyproline II helixtrans-71.2154.7173.5-59.1-22.5000112I161 H165H112-I161 HydrophobicContact CB-CG1 4.31Å; H112-I161 HydrophobicContact CB-CG2 3.89Å; H112-H165 WeakPolarHBondContact ND1-CB 3.35Å; H112-H165 PolarHBondContact ND1-N 2.95Å
113V96.6Very high94.7Very high2 Ų257 Ų571%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-85.8122.6176-174.10000109.1V99 F107 V162 V163V99-V113 HydrophobicContact CG1-CB 4.46Å; V99-V113 HydrophobicContact CG1-CG1 3.71Å; V99-V113 HydrophobicContact CG1-CG2 3.86Å; F107-V113 HydrophobicContact CD2-CG2 3.61Å; F107-V113 HydrophobicContact CE2-CG2 4.18Å; F107-V113 HydrophobicContact CG-CG2 4.38Å; V113-V162 HydrophobicContact CB-CG2 4.36Å; V113-V162 HydrophobicContact CG1-CG2 4.06Å; V113-V162 VanDerWaalsContact O-CG2 3.28Å; V113-V162 WeakPolarHBondContact O-CG2 3.37Å; V113-V162 PolarHBondContact O-N 3.12Å; V113-V163 HydrophobicContact CB-CB 3.93Å; V113-V163 HydrophobicContact CB-CG2 4.43Å; V113-V163 HydrophobicContact CG2-CB 4.08Å; V113-V163 PolarHBondContact N-O 2.98Å; V113-V163 PolarHBondContact O-N 2.83Å
114L96.5Very high94.7Very high69 Ų6962.8 Ų62.836%0.36132%0.323SS..EExtended strand (participates in β ladder)trans-85.4158.3172.8-54.4-177000111.2S116 G117 L118 S160 I161L114-S116 VanDerWaalsContact C-N 3.25Å; L114-S116 PolarHBondContact O-N 3.22Å; L114-G117 WeakPolarHBondContact O-CA 3.35Å; L114-G117 PolarHBondContact O-N 3.49Å; L114-L118 PolarHBondContact O-N 2.87Å; L114-S160 CarbonylContact C-O 3.55Å; L114-S160 WeakPolarHBondContact CA-O 3.43Å; L114-I161 HydrophobicContact CD2-CG1 3.84Å
115K95.4Very high94.7Very high51 Ų5160.5 Ų60.522%0.22231%0.313CS..G310 helixtrans-58-37.2178.8172.858.1-169.7174.90112.5G117 L118 C153 V156 D157 P158 S160 V162K115-G117 PolarHBondContact O-N 2.85Å; K115-L118 HydrophobicContact CD-CB 4.36Å; K115-L118 HydrophobicContact CD-CD2 4.13Å; K115-L118 WeakPolarHBondContact O-CB 3.48Å; K115-L118 PolarHBondContact O-N 3.22Å; K115-L118 VanDerWaalsContact O-N 3.1Å; K115-C153 WeakPolarHBondContact CD-O 3.29Å; K115-C153 WeakPolarHBondContact CE-O 3.34Å; K115-C153 PolarHBondContact NZ-O 3.46Å; K115-V156 HydrophobicContact CB-CG2 4.2Å; K115-V156 HydrophobicContact CD-CG2 4.18Å; K115-V156 HydrophobicContact CG-CG2 4.03Å; K115-D157 WeakPolarHBondContact CB-O 3.36Å; K115-P158 PolarHBondContact N-O 3.35Å; K115-S160 PolarHBondContact N-O 3.1Å; K115-V162 HydrophobicContact CB-CG1 3.71Å; K115-V162 HydrophobicContact CD-CG1 4.05Å; K115-V162 HydrophobicContact CG-CG1 4.44Å
116S95.1Very high94.7Very high65 Ų6560.5 Ų60.546%0.45532%0.315SS..G310 helixtrans-55.6-37.1175.457.90000112.7K100 L114 P158K100-S116 PolarHBondContact NZ-O 3.35Å; L114-S116 VanDerWaalsContact C-N 3.25Å; L114-S116 PolarHBondContact O-N 3.22Å; S116-P158 WeakPolarHBondContact CB-O 3.39Å; S116-P158 PolarHBondContact N-O 2.86Å; S116-P158 PolarHBondContact OG-O 2.88Å
117G94.1Very high94.7Very high6 Ų662.5 Ų62.56%0.06232%0.319CS..G310 helixtrans-82.4-10179.100000115.5V99 K100 A103 L114 K115 G119V99-G117 WeakPolarHBondContact CA-O 3.44Å; K100-G117 PolarHBondContact N-O 2.93Å; A103-G117 VanDerWaalsContact CB-CA 3.48Å; L114-G117 WeakPolarHBondContact O-CA 3.35Å; L114-G117 PolarHBondContact O-N 3.49Å; K115-G117 PolarHBondContact O-N 2.85Å; G117-G119 PolarHBondContact O-N 3.32Å
118L95.3Very high94.7Very high12 Ų1269.7 Ų69.76%0.06335%0.347CS..EExtended strand (participates in β ladder)trans-73.9118.6179.7-172.962.4000110.3V97 K100 L114 K115 I121 C153 V162V97-L118 HydrophobicContact CG1-CD1 3.36Å; K100-L118 WeakPolarHBondContact CE-O 3.39Å; L114-L118 PolarHBondContact O-N 2.87Å; K115-L118 HydrophobicContact CD-CB 4.36Å; K115-L118 HydrophobicContact CD-CD2 4.13Å; K115-L118 WeakPolarHBondContact O-CB 3.48Å; K115-L118 PolarHBondContact O-N 3.22Å; K115-L118 VanDerWaalsContact O-N 3.1Å; L118-I121 HydrophobicContact CD1-CB 4.4Å; L118-I121 HydrophobicContact CD2-CG2 4.47Å; L118-C153 HydrophobicContact CD2-CB 4.24Å; L118-V162 HydrophobicContact CB-CG2 4.19Å; L118-V162 HydrophobicContact CD1-CG2 4.43Å; L118-V162 HydrophobicContact CD2-CB 4.49Å; L118-V162 HydrophobicContact CD2-CG2 4.29Å
119G94.4Very high94.7Very high37 Ų3769.1 Ų69.138%0.38134%0.344SS..EExtended strand (participates in β ladder)trans-88.3-67.1172.300000111.2W98 G117W98-G119 WeakPolarHBondContact O-CA 3.09Å; W98-G119 PolarHBondContact O-N 2.75Å; G117-G119 PolarHBondContact O-N 3.32Å
120R94.8Very high94.9Very high163 Ų16362.6 Ų62.662%0.61532%0.319SS*.EExtended strand (participates in β ladder)trans-134148.2-179.2-174.4-178.5-179.5-176.51110V97 W98V97-R120 CarbonylContact C-O 3.57Å; V97-R120 WeakPolarHBondContact CA-O 3.25Å; W98-R120 HydrophobicContact CB-CB 3.98Å; W98-R120 HydrophobicContact CD2-CB 4.1Å; W98-R120 HydrophobicContact CD2-CG 4.45Å; W98-R120 HydrophobicContact CE3-CB 3.71Å; W98-R120 HydrophobicContact CE3-CG 3.78Å; W98-R120 HydrophobicContact CG-CB 4.23Å; W98-R120 HydrophobicContact CZ3-CG 4.11Å; W98-R120 PolarHBondContact N-O 3.44Å; W98-R120 PolarHBondContact O-N 3.16Å
121I95.3Very high95Very high26 Ų2661.5 Ų61.513%0.13331%0.308CS..EExtended strand (participates in β ladder)trans-132142.9170.9-177.9160.6000108.2V97 L118 T125 T150V97-I121 HydrophobicContact CG2-CB 4.43Å; V97-I121 HydrophobicContact CG2-CD1 4.1Å; V97-I121 HydrophobicContact CG2-CG1 3.96Å; L118-I121 HydrophobicContact CD1-CB 4.4Å; L118-I121 HydrophobicContact CD2-CG2 4.47Å; I121-T125 HydrophobicContact CD1-CG2 4.31Å; I121-T150 HydrophobicContact CG2-CG2 3.95Å
122T95.2Very high95.1Very high36 Ų3657.6 Ų57.622%0.22129%0.287CS..  trans-64.1138.8175.1-54.90000110.1F95 K96 T125 T150F95-T122 HydrophobicContact CD1-CG2 4.27Å; K96-T122 PolarHBondContact N-OG1 2.89Å; K96-T122 PolarHBondContact O-N 3.28Å; K96-T122 PolarHBondContact O-OG1 3.14Å; T122-T125 PolarHBondContact O-OG1 3.17Å; T122-T150 PolarHBondContact O-OG1 3.38Å
123E92.3Very high95.1Very high131 Ų13153.8 Ų53.861%0.61227%0.269SS*.THydrogen-bonded Turntrans-63.5155.6178.1-61.4-163.715200112T125 R154E123-T125 PolarHBondContact O-N 3.32Å; E123-T125 VanDerWaalsContact O-N 3.1Å; E123-R154 IonicContact OE1-NH2 2.68Å
124N93.3Very high95.1Very high135 Ų13554.4 Ų54.472%0.72227%0.271SS*.THydrogen-bonded Turntrans57.621.9-178.2-57.1-33.6000114.7F95 M126F95-N124 WeakPolarHBondContact CE1-O 3.3Å; N124-M126 PolarHBondContact O-N 2.96Å
125T94Very high95.2Very high3 Ų351.3 Ų51.32%0.01826%0.256CS..PPolyproline II helixtrans-68.3116.4167.7-53.80000108.5F95 I121 T122 E123 Q129 V131 A146 S149 T150F95-T125 HydrophobicContact CD1-CG2 4.35Å; F95-T125 WeakPolarHBondContact CD1-OG1 3.41Å; I121-T125 HydrophobicContact CD1-CG2 4.31Å; T122-T125 PolarHBondContact O-OG1 3.17Å; E123-T125 PolarHBondContact O-N 3.32Å; E123-T125 VanDerWaalsContact O-N 3.1Å; T125-Q129 HydrophobicContact CG2-CB 4Å; T125-Q129 HydrophobicContact CG2-CG 4.28Å; T125-V131 HydrophobicContact CG2-CG1 3.8Å; T125-A146 HydrophobicContact CG2-CB 3.75Å; T125-S149 WeakPolarHBondContact O-CA 3.43Å; T125-T150 WeakPolarHBondContact CA-OG1 3.44Å; T125-T150 VanDerWaalsContact CB-OG1 3.31Å; T125-T150 WeakPolarHBondContact CB-OG1 3.38Å; T125-T150 PolarHBondContact N-OG1 2.79Å; T125-T150 PolarHBondContact O-N 2.83Å; T125-T150 PolarHBondContact O-OG1 3.48Å
126M94.4Very high95.1Very high121 Ų12153.9 Ų53.960%0.59627%0.27SS*.PPolyproline II helixtrans-77.5160.5175.6-67.3-171.3-73.600111.4N124 Q129N124-M126 PolarHBondContact O-N 2.96Å; M126-Q129 WeakPolarHBondContact O-CB 3.44Å; M126-Q129 PolarHBondContact O-N 2.77Å
127Q94.6Very high95.1Very high84 Ų8454.5 Ų54.539%0.39328%0.279SS..THydrogen-bonded Turntrans-60.7139.2169.6-167.6177.325.200110.2Q129 A147Q127-Q129 PolarHBondContact O-N 3.38Å; Q127-A147 VanDerWaalsContact CG-O 3.31Å; Q127-A147 WeakPolarHBondContact CG-O 3.47Å; Q127-A147 PolarHBondContact NE2-O 3.31Å
128Y94.9Very high95.1Very high151 Ų15159.3 Ų59.359%0.59230%0.303SS*.THydrogen-bonded Turntrans63.514.8-177.6-48.4-53000115.8V145 A146 F164Y128-V145 HydrophobicContact CD1-CG1 4.45Å; Y128-A146 VanDerWaalsContact CA-O 3.23Å; Y128-A146 WeakPolarHBondContact CA-O 3.44Å; Y128-A146 PolarHBondContact N-O 2.87Å; Y128-F164 HydrophobicContact CD1-CE2 4.49Å; Y128-F164 HydrophobicContact CE1-CE2 4.13Å
129Q94.4Very high95.1Very high34 Ų3462.3 Ų62.316%0.15932%0.322CS..  trans-69.3139.2171.3-174.660.156.900110.8K18 F95 T125 M126 Q127 V131 V145 A146K18-Q129 PolarHBondContact O-NE2 2.8Å; F95-Q129 HydrophobicContact CB-CG 4.33Å; F95-Q129 HydrophobicContact CD2-CG 3.39Å; F95-Q129 HydrophobicContact CE2-CG 3.69Å; F95-Q129 HydrophobicContact CG-CG 3.84Å; F95-Q129 HydrophobicContact CZ-CG 4.37Å; T125-Q129 HydrophobicContact CG2-CB 4Å; T125-Q129 HydrophobicContact CG2-CG 4.28Å; M126-Q129 WeakPolarHBondContact O-CB 3.44Å; M126-Q129 PolarHBondContact O-N 2.77Å; Q127-Q129 PolarHBondContact O-N 3.38Å; Q129-V131 PolarHBondContact O-N 2.97Å; Q129-V145 CarbonylContact O-C 3.59Å; Q129-V145 WeakPolarHBondContact O-CA 3.22Å; Q129-A146 PolarHBondContact O-N 2.69Å
130G95.6Very high95.2Very high3 Ų362.2 Ų62.23%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-68.3127.4169.900000110.5K18K18-G130 VanDerWaalsContact O-CA 3.29Å; K18-G130 WeakPolarHBondContact O-CA 3.34Å; K18-G130 PolarHBondContact O-N 3.45Å
131V96.5Very high95.3Very high0 Ų054.8 Ų54.80%029%0.287CS..EExtended strand (participates in β ladder)trans-126145.6-179.5-62.20000110.2F95 V97 T125 Q129 G144 A146 V163F95-V131 HydrophobicContact CB-CG1 3.92Å; F95-V131 WeakPolarHBondContact O-CA 3.27Å; V97-V131 HydrophobicContact CG2-CB 4.04Å; V97-V131 HydrophobicContact CG2-CG1 4.21Å; V97-V131 HydrophobicContact CG2-CG2 4Å; T125-V131 HydrophobicContact CG2-CG1 3.8Å; Q129-V131 PolarHBondContact O-N 2.97Å; V131-G144 PolarHBondContact N-O 3.32Å; V131-G144 PolarHBondContact O-N 2.68Å; V131-G144 VanDerWaalsContact O-O 3.06Å; V131-A146 HydrophobicContact CG1-CB 4.15Å; V131-V163 HydrophobicContact CG2-CG1 3.73Å; V131-V163 HydrophobicContact CG2-CG2 4.41Å
132V97.1Very high95.4Very high0 Ų053.5 Ų53.50%028%0.28CS..EExtended strand (participates in β ladder)trans-93.6130.1167.6-179.10000108.5Y19 L86 A90 A93 F95 K96 V97 Y134 F143Y19-V132 HydrophobicContact CD1-CG2 4.41Å; L86-V132 HydrophobicContact CD1-CG1 3.75Å; A90-V132 HydrophobicContact CB-CG1 4.26Å; A93-V132 HydrophobicContact CB-CB 3.98Å; A93-V132 HydrophobicContact CB-CG2 3.41Å; A93-V132 VanDerWaalsContact CB-CG2 3.41Å; F95-V132 PolarHBondContact O-N 3Å; K96-V132 WeakPolarHBondContact CA-O 3.31Å; V97-V132 PolarHBondContact N-O 2.85Å; V132-Y134 HydrophobicContact CB-CD2 4.39Å; V132-Y134 HydrophobicContact CB-CE2 3.81Å; V132-Y134 HydrophobicContact CG1-CD2 3.94Å; V132-Y134 HydrophobicContact CG1-CE2 3.38Å; V132-F143 HydrophobicContact CG2-CD1 4.05Å; V132-F143 HydrophobicContact CG2-CE1 4.04Å
133V97.3Very high95.5Very high0 Ų051.9 Ų51.90%027%0.27CS..EExtended strand (participates in β ladder)trans-92.4131.8-178.5-174.70000108.7V97 V99 F107 L141 G142 V163V97-V133 CarbonylContact O-C 3.55Å; V97-V133 WeakPolarHBondContact O-CA 3.35Å; V99-V133 HydrophobicContact CG1-CG1 3.71Å; V99-V133 HydrophobicContact CG2-CG1 4.2Å; F107-V133 HydrophobicContact CD1-CG1 4.17Å; F107-V133 HydrophobicContact CE1-CB 3.93Å; F107-V133 HydrophobicContact CE1-CG1 4Å; F107-V133 HydrophobicContact CE1-CG2 4.28Å; F107-V133 HydrophobicContact CE2-CB 4.35Å; F107-V133 HydrophobicContact CE2-CG1 4.33Å; F107-V133 HydrophobicContact CE2-CG2 3.87Å; F107-V133 HydrophobicContact CG-CG1 4.42Å; F107-V133 HydrophobicContact CZ-CB 3.8Å; F107-V133 HydrophobicContact CZ-CG1 4.09Å; F107-V133 HydrophobicContact CZ-CG2 3.62Å; V133-L141 HydrophobicContact CG1-CB 4.5Å; V133-L141 HydrophobicContact CG1-CD1 4.42Å; V133-L141 PolarHBondContact O-N 2.96Å; V133-G142 PolarHBondContact N-O 3.14Å; V133-G142 PolarHBondContact O-N 3.26Å; V133-V163 HydrophobicContact CG2-CG1 4.24Å
134Y97.7Very high95.7Very high15 Ų1545.7 Ų45.76%0.05924%0.241CC..EExtended strand (participates in β ladder)trans-124.2151.7-179.2-76.5-102.1000110.1A90 K96 V97 W98 V99 V132 V139 P140A90-Y134 WeakPolarHBondContact CB-OH 3.4Å; A90-Y134 PolarHBondContact O-OH 2.82Å; K96-Y134 HydrophobicContact CB-CD2 4.09Å; K96-Y134 HydrophobicContact CB-CE2 4.11Å; K96-Y134 HydrophobicContact CD-CD2 4.22Å; K96-Y134 HydrophobicContact CD-CE2 3.57Å; K96-Y134 HydrophobicContact CG-CD2 4.26Å; K96-Y134 HydrophobicContact CG-CE2 3.75Å; K96-Y134 PolarHBondContact NZ-OH 3.2Å; K96-Y134 VanDerWaalsContact NZ-OH 3.16Å; V97-Y134 PolarHBondContact O-N 3.22Å; W98-Y134 CarbonylContact C-O 3.55Å; W98-Y134 VanDerWaalsContact CA-O 3.27Å; W98-Y134 WeakPolarHBondContact CA-O 3.43Å; V99-Y134 WeakPolarHBondContact CG2-O 3.41Å; V99-Y134 PolarHBondContact N-O 2.84Å; V132-Y134 HydrophobicContact CB-CD2 4.39Å; V132-Y134 HydrophobicContact CB-CE2 3.81Å; V132-Y134 HydrophobicContact CG1-CD2 3.94Å; V132-Y134 HydrophobicContact CG1-CE2 3.38Å; Y134-V139 CarbonylContact C-O 3.6Å; Y134-V139 VanDerWaalsContact CA-O 3.24Å; Y134-V139 WeakPolarHBondContact CA-O 3.09Å; Y134-P140 HydrophobicContact CD1-CB 4.22Å; Y134-P140 HydrophobicContact CE1-CB 3.9Å
135S96.9Very high95.9Very high5 Ų540.5 Ų40.54%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-74.5167.3164.376.10000110.4E104 A137 D138 V139E104-S135 WeakPolarHBondContact OE1-CB 3.49Å; S135-A137 PolarHBondContact O-N 2.8Å; S135-A137 VanDerWaalsContact O-N 3.09Å; S135-A137 PolarHBondContact OG-N 2.82Å; S135-D138 PolarHBondContact O-N 2.64Å; S135-D138 VanDerWaalsContact O-N 3.14Å; S135-V139 PolarHBondContact N-O 3.37Å; S135-V139 WeakPolarHBondContact OG-CB 3.46Å; S135-V139 PolarHBondContact OG-N 3.29Å
136M94.9Very high96Very high105 Ų10540.4 Ų40.452%0.51721%0.214SC..THydrogen-bonded Turntrans-61.5-14.4173-70.3-58.3-63.600113.8W98 V99 D138W98-M136 HydrophobicContact CB-SD 4.05Å; V99-M136 WeakPolarHBondContact O-CG 3.43Å; V99-M136 PolarHBondContact O-N 2.82Å; M136-D138 VanDerWaalsContact C-N 3.33Å
137A95.1Very high96.1Very high78 Ų7835 Ų3565%0.64519%0.188SC*.THydrogen-bonded Turntrans-94.118.2177.500000113.1S135 V139S135-A137 PolarHBondContact O-N 2.8Å; S135-A137 VanDerWaalsContact O-N 3.09Å; S135-A137 PolarHBondContact OG-N 2.82Å; A137-V139 HydrophobicContact CB-CG2 4.34Å; A137-V139 PolarHBondContact O-N 3.05Å
138D93.9Very high96Very high107 Ų10733.3 Ų33.357%0.57218%0.18SC*.SBendtrans60.125.5-177.8-73.4-50.1000114.4W98 S135 M136W98-D138 PolarHBondContact NE1-OD1 3.41Å; S135-D138 PolarHBondContact O-N 2.64Å; S135-D138 VanDerWaalsContact O-N 3.14Å; M136-D138 VanDerWaalsContact C-N 3.33Å
139V95.6Very high96.1Very high75 Ų7527.2 Ų27.246%0.45516%0.159SC..  trans-90.8126.1173.5-176.50000109.7Y134 S135 A137 L141Y134-V139 CarbonylContact C-O 3.6Å; Y134-V139 VanDerWaalsContact CA-O 3.24Å; Y134-V139 WeakPolarHBondContact CA-O 3.09Å; S135-V139 PolarHBondContact N-O 3.37Å; S135-V139 WeakPolarHBondContact OG-CB 3.46Å; S135-V139 PolarHBondContact OG-N 3.29Å; A137-V139 HydrophobicContact CB-CG2 4.34Å; A137-V139 PolarHBondContact O-N 3.05Å; V139-L141 PolarHBondContact O-N 3.22Å
140P96.5Very high96Very high35 Ų3526 Ų2623%0.22715%0.154CC..EExtended strand (participates in β ladder)trans-70.3127.2177.329.9-34.5000110.6L86 A90 Y134L86-P140 HydrophobicContact CD1-CB 4.15Å; L86-P140 HydrophobicContact CD2-CB 3.92Å; L86-P140 HydrophobicContact CD2-CG 4.46Å; L86-P140 HydrophobicContact CG-CB 3.98Å; A90-P140 HydrophobicContact CB-CB 3.86Å; A90-P140 HydrophobicContact CB-CG 4.28Å; Y134-P140 HydrophobicContact CD1-CB 4.22Å; Y134-P140 HydrophobicContact CE1-CB 3.9Å
141L96.2Very high95.9Very high6 Ų632.7 Ų32.73%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-105.2-26.9-177.2-59.5172.5000113V99 E104 F107 L108 V133 V139 D168 V169V99-L141 HydrophobicContact CG2-CD1 3.5Å; V99-L141 VanDerWaalsContact CG2-CD1 3.5Å; E104-L141 HydrophobicContact CB-CD1 4.42Å; E104-L141 HydrophobicContact CG-CD1 3.82Å; E104-L141 HydrophobicContact CG-CD2 4.23Å; F107-L141 HydrophobicContact CD1-CB 4.09Å; F107-L141 HydrophobicContact CE1-CB 4.1Å; L108-L141 HydrophobicContact CD2-CB 4.47Å; L108-L141 HydrophobicContact CD2-CD2 4.23Å; V133-L141 HydrophobicContact CG1-CB 4.5Å; V133-L141 HydrophobicContact CG1-CD1 4.42Å; V133-L141 PolarHBondContact O-N 2.96Å; V139-L141 PolarHBondContact O-N 3.22Å; L141-D168 WeakPolarHBondContact O-CA 3.46Å; L141-V169 PolarHBondContact O-N 2.87Å
142G96.6Very high95.7Very high0 Ų036.6 Ų36.60%020%0.203CC..EExtended strand (participates in β ladder)trans161.2-162.2178.600000115.7V133 A167V133-G142 PolarHBondContact N-O 3.14Å; V133-G142 PolarHBondContact O-N 3.26Å; G142-A167 CarbonylContact C-O 3.52Å; G142-A167 VanDerWaalsContact CA-O 3.31Å; G142-A167 WeakPolarHBondContact CA-O 3.31Å
143F97Very high95.5Very high2 Ų236.6 Ų36.61%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-107.1143-179.3-61.5-65.7000111.1Y19 L81 I83 A85 L86 L89 V132 Q166 A167Y19-F143 AromaticContact CD1-CD1 3.87Å; Y19-F143 HydrophobicContact CD1-CD1 3.87Å; Y19-F143 HydrophobicContact CE1-CB 3.97Å; Y19-F143 AromaticContact CE1-CD1 3.81Å; Y19-F143 HydrophobicContact CE1-CD1 3.81Å; Y19-F143 HydrophobicContact CE1-CG 4.26Å; Y19-F143 HydrophobicContact CG-CD1 4.33Å; L81-F143 HydrophobicContact CD2-CD1 4.1Å; L81-F143 HydrophobicContact CD2-CD2 3.74Å; L81-F143 HydrophobicContact CD2-CE1 3.98Å; L81-F143 HydrophobicContact CD2-CE2 3.61Å; L81-F143 HydrophobicContact CD2-CG 4Å; L81-F143 HydrophobicContact CD2-CZ 3.73Å; L81-F143 HydrophobicContact CG-CD2 4.38Å; L81-F143 HydrophobicContact CG-CE2 4.11Å; I83-F143 HydrophobicContact CD1-CD2 4.43Å; A85-F143 HydrophobicContact CB-CE2 4.49Å; A85-F143 HydrophobicContact CB-CZ 4.42Å; L86-F143 HydrophobicContact CB-CE2 4.22Å; L86-F143 HydrophobicContact CB-CZ 4.12Å; L86-F143 HydrophobicContact CD1-CD1 4.46Å; L86-F143 HydrophobicContact CD1-CE1 3.99Å; L86-F143 HydrophobicContact CD1-CE2 4.36Å; L86-F143 HydrophobicContact CD1-CZ 3.93Å; L89-F143 HydrophobicContact CB-CE1 4.04Å; L89-F143 HydrophobicContact CB-CZ 4.1Å; L89-F143 HydrophobicContact CD1-CE1 3.9Å; L89-F143 HydrophobicContact CD1-CZ 3.57Å; L89-F143 HydrophobicContact CG-CZ 4.44Å; V132-F143 HydrophobicContact CG2-CD1 4.05Å; V132-F143 HydrophobicContact CG2-CE1 4.04Å; F143-Q166 HydrophobicContact CB-CB 4.21Å; F143-Q166 WeakPolarHBondContact O-CB 3.36Å; F143-Q166 PolarHBondContact O-N 2.79Å; F143-A167 HydrophobicContact CD2-CB 4.26Å; F143-A167 PolarHBondContact N-O 3.1Å; F143-A167 PolarHBondContact O-N 3.29Å
144G96.6Very high95.1Very high0 Ų044.9 Ų44.90%023%0.234CC..EExtended strand (participates in β ladder)trans-145.7174.4173.200000112.6Y19 V131 F164Y19-G144 WeakPolarHBondContact CE1-O 3.46Å; V131-G144 PolarHBondContact N-O 3.32Å; V131-G144 PolarHBondContact O-N 2.68Å; V131-G144 VanDerWaalsContact O-O 3.06Å; G144-F164 CarbonylContact C-O 3.46Å; G144-F164 WeakPolarHBondContact CA-O 3.41Å
145V97.2Very high94.8Very high27 Ų2754.5 Ų54.516%0.16427%0.27CS..EExtended strand (participates in β ladder)trans-123.9126.6173.2174.50000108Y128 Q129 A147 V163 F164 Q166Y128-V145 HydrophobicContact CD1-CG1 4.45Å; Q129-V145 CarbonylContact O-C 3.59Å; Q129-V145 WeakPolarHBondContact O-CA 3.22Å; V145-A147 PolarHBondContact O-N 3.39Å; V145-V163 CarbonylContact O-C 3.56Å; V145-V163 WeakPolarHBondContact O-CA 3.23Å; V145-F164 HydrophobicContact CB-CB 4.37Å; V145-F164 PolarHBondContact N-O 3.3Å; V145-F164 PolarHBondContact O-N 3.1Å; V145-Q166 HydrophobicContact CG2-CG 3.81Å
146A96.8Very high94.7Very high0 Ų055.8 Ų55.80%028%0.278CS..EExtended strand (participates in β ladder)trans-61.5120.6177.500000109.9T125 Y128 Q129 V131 K148T125-A146 HydrophobicContact CG2-CB 3.75Å; Y128-A146 VanDerWaalsContact CA-O 3.23Å; Y128-A146 WeakPolarHBondContact CA-O 3.44Å; Y128-A146 PolarHBondContact N-O 2.87Å; Q129-A146 PolarHBondContact O-N 2.69Å; V131-A146 HydrophobicContact CG1-CB 4.15Å; A146-K148 VanDerWaalsContact C-N 3.29Å
147A96.1Very high94.8Very high7 Ų755.3 Ų55.36%0.05828%0.277CS..SBendtrans-75.6-23.4179.600000112.4Q127 V145 I161 V162 F164Q127-A147 VanDerWaalsContact CG-O 3.31Å; Q127-A147 WeakPolarHBondContact CG-O 3.47Å; Q127-A147 PolarHBondContact NE2-O 3.31Å; V145-A147 PolarHBondContact O-N 3.39Å; A147-I161 HydrophobicContact CB-CG2 4.14Å; A147-V162 PolarHBondContact N-O 3.12Å; A147-F164 HydrophobicContact CB-CD2 3.78Å; A147-F164 HydrophobicContact CB-CE1 4.21Å; A147-F164 HydrophobicContact CB-CE2 3.34Å; A147-F164 HydrophobicContact CB-CG 4.39Å; A147-F164 HydrophobicContact CB-CZ 3.58Å
148K94.1Very high94.7Very high50 Ų5055 Ų5522%0.21727%0.269CS..SBendtrans-143.4159.6-175.6-60.2-170.7-176.7-174.60110.6A146 E152 V156A146-K148 VanDerWaalsContact C-N 3.29Å; K148-E152 HydrophobicContact CB-CB 3.98Å; K148-E152 HydrophobicContact CD-CB 4.46Å; K148-V156 HydrophobicContact CD-CB 4.38Å; K148-V156 HydrophobicContact CD-CG1 3.56Å; K148-V156 HydrophobicContact CD-CG2 4.38Å
149S95.6Very high94.7Very high22 Ų2257.5 Ų57.515%0.15428%0.279CS..  trans-66.8161.6174.571.20000111.6T125 Q151 E152 C153T125-S149 WeakPolarHBondContact O-CA 3.43Å; S149-Q151 PolarHBondContact O-N 3.23Å; S149-E152 PolarHBondContact O-N 3.16Å; S149-E152 WeakPolarHBondContact OG-CG 3.15Å; S149-E152 PolarHBondContact OG-N 3.12Å; S149-E152 PolarHBondContact OG-OE1 3.07Å; S149-C153 WeakPolarHBondContact O-CB 3.48Å; S149-C153 PolarHBondContact O-N 3.3Å; S149-C153 PolarHBondContact O-SG 3.31Å; S149-C153 VanDerWaalsContact O-SG 3.35Å
150T93.6Very high94.7Very high10 Ų1055.4 Ų55.46%0.06127%0.267CS..THydrogen-bonded Turntrans-56.1-38.3178.1-56.90000112.5I121 T122 T125I121-T150 HydrophobicContact CG2-CG2 3.95Å; T122-T150 PolarHBondContact O-OG1 3.38Å; T125-T150 WeakPolarHBondContact CA-OG1 3.44Å; T125-T150 VanDerWaalsContact CB-OG1 3.31Å; T125-T150 WeakPolarHBondContact CB-OG1 3.38Å; T125-T150 PolarHBondContact N-OG1 2.79Å; T125-T150 PolarHBondContact O-N 2.83Å; T125-T150 PolarHBondContact O-OG1 3.48Å
151Q92.9Very high94.7Very high143 Ų14356.6 Ų56.667%0.66827%0.271SS*.THydrogen-bonded Turntrans-71.5-43.4-178.9-64-177.1-4.100111.4S149 R154S149-Q151 PolarHBondContact O-N 3.23Å; Q151-R154 PolarHBondContact O-N 3.05Å
152E92.9Very high94.7Very high82 Ų8256.4 Ų56.438%0.38327%0.27SS..G310 helixtrans-64.6-40.5175.1-75.1157.3-13000112K148 S149 R154 R155 V156K148-E152 HydrophobicContact CB-CB 3.98Å; K148-E152 HydrophobicContact CD-CB 4.46Å; S149-E152 PolarHBondContact O-N 3.16Å; S149-E152 WeakPolarHBondContact OG-CG 3.15Å; S149-E152 PolarHBondContact OG-N 3.12Å; S149-E152 PolarHBondContact OG-OE1 3.07Å; E152-R154 PolarHBondContact O-N 3.04Å; E152-R155 PolarHBondContact O-N 2.9Å; E152-V156 WeakPolarHBondContact O-CG1 3.48Å; E152-V156 PolarHBondContact O-N 2.98Å
153C91.5Very high94.7Very high0 Ų056.4 Ų56.40%027%0.27CS..G310 helixtrans-55-19.4175.3-81.10000112.9K115 L118 S149K115-C153 WeakPolarHBondContact CD-O 3.29Å; K115-C153 WeakPolarHBondContact CE-O 3.34Å; K115-C153 PolarHBondContact NZ-O 3.46Å; L118-C153 HydrophobicContact CD2-CB 4.24Å; S149-C153 WeakPolarHBondContact O-CB 3.48Å; S149-C153 PolarHBondContact O-N 3.3Å; S149-C153 PolarHBondContact O-SG 3.31Å; S149-C153 VanDerWaalsContact O-SG 3.35Å
154R89.4Confident94.8Very high173 Ų17359.5 Ų59.565%0.65328%0.284SS*.G310 helixtrans-85-22.2175-64.1-179.1-176.3-175.82.2113.7E123 Q151 E152E123-R154 IonicContact OE1-NH2 2.68Å; Q151-R154 PolarHBondContact O-N 3.05Å; E152-R154 PolarHBondContact O-N 3.04Å
155R92.6Very high94.8Very high218 Ų21860.7 Ų60.782%0.82329%0.29SS*.THydrogen-bonded Turntrans-103.3-13.2-171.7-61.4-178.5-179.2175.60.4114.2E152E152-R155 PolarHBondContact O-N 2.9Å
156V94.7Very high94.7Very high32 Ų3263.5 Ų63.519%0.19430%0.301CS..SBendtrans-83.3153.9-170.8-66.40000112.5K115 K148 E152 V162K115-V156 HydrophobicContact CB-CG2 4.2Å; K115-V156 HydrophobicContact CD-CG2 4.18Å; K115-V156 HydrophobicContact CG-CG2 4.03Å; K148-V156 HydrophobicContact CD-CB 4.38Å; K148-V156 HydrophobicContact CD-CG1 3.56Å; K148-V156 HydrophobicContact CD-CG2 4.38Å; E152-V156 WeakPolarHBondContact O-CG1 3.48Å; E152-V156 PolarHBondContact O-N 2.98Å; V156-V162 HydrophobicContact CG2-CG1 4.18Å
157D95.2Very high94.5Very high94 Ų9463.7 Ų63.750%0.50330%0.302SS..  trans-56.7144.2177.6-177.8-89.9000112K115 M159 S160K115-D157 WeakPolarHBondContact CB-O 3.36Å; D157-M159 PolarHBondContact O-N 3.25Å; D157-M159 VanDerWaalsContact O-N 3.11Å; D157-M159 WeakPolarHBondContact OD1-CA 3.28Å; D157-M159 VanDerWaalsContact OD1-CB 3.31Å; D157-M159 WeakPolarHBondContact OD1-CB 3.4Å; D157-M159 PolarHBondContact OD1-N 3.19Å; D157-S160 WeakPolarHBondContact O-CB 3.46Å; D157-S160 PolarHBondContact O-N 2.89Å; D157-S160 PolarHBondContact O-OG 3.44Å
158P93.3Very high94.4Very high73 Ų7363.3 Ų63.347%0.47430%0.299SS..THydrogen-bonded Turntrans-53.6-28.8178.5-28.737.2000115.5K115 S116 S160K115-P158 PolarHBondContact N-O 3.35Å; S116-P158 WeakPolarHBondContact CB-O 3.39Å; S116-P158 PolarHBondContact N-O 2.86Å; S116-P158 PolarHBondContact OG-O 2.88Å; P158-S160 VanDerWaalsContact C-N 3.35Å
159M94.3Very high94.4Very high158 Ų15863.1 Ų63.178%0.77830%0.302SS*.THydrogen-bonded Turntrans-85.6-6.2178-57.5-169176.200113.3D157D157-M159 PolarHBondContact O-N 3.25Å; D157-M159 VanDerWaalsContact O-N 3.11Å; D157-M159 WeakPolarHBondContact OD1-CA 3.28Å; D157-M159 VanDerWaalsContact OD1-CB 3.31Å; D157-M159 WeakPolarHBondContact OD1-CB 3.4Å; D157-M159 PolarHBondContact OD1-N 3.19Å
160S96Very high94.2Very high31 Ų3162.6 Ų62.622%0.21730%0.301CS..SBendtrans-68.5139176-70.50000111.7L114 K115 D157 P158 V162L114-S160 CarbonylContact C-O 3.55Å; L114-S160 WeakPolarHBondContact CA-O 3.43Å; K115-S160 PolarHBondContact N-O 3.1Å; D157-S160 WeakPolarHBondContact O-CB 3.46Å; D157-S160 PolarHBondContact O-N 2.89Å; D157-S160 PolarHBondContact O-OG 3.44Å; P158-S160 VanDerWaalsContact C-N 3.35Å; S160-V162 PolarHBondContact O-N 3.21Å
161I96.6Very high93.9Very high61 Ų6163.3 Ų63.331%0.31330%0.303SS..EExtended strand (participates in β ladder)trans-68.2130.8170.2-60.9160.6000109.2H112 L114 A147 F164H112-I161 HydrophobicContact CB-CG1 4.31Å; H112-I161 HydrophobicContact CB-CG2 3.89Å; L114-I161 HydrophobicContact CD2-CG1 3.84Å; A147-I161 HydrophobicContact CB-CG2 4.14Å; I161-F164 HydrophobicContact CD1-CE1 4.42Å; I161-F164 HydrophobicContact CG2-CD1 3.85Å; I161-F164 HydrophobicContact CG2-CE1 3.82Å
162V96.2Very high93.7Very high1 Ų161.1 Ų61.11%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-114.3-26.5176.9-68.20000112.6V113 K115 L118 A147 V156 S160V113-V162 HydrophobicContact CB-CG2 4.36Å; V113-V162 HydrophobicContact CG1-CG2 4.06Å; V113-V162 VanDerWaalsContact O-CG2 3.28Å; V113-V162 WeakPolarHBondContact O-CG2 3.37Å; V113-V162 PolarHBondContact O-N 3.12Å; K115-V162 HydrophobicContact CB-CG1 3.71Å; K115-V162 HydrophobicContact CD-CG1 4.05Å; K115-V162 HydrophobicContact CG-CG1 4.44Å; L118-V162 HydrophobicContact CB-CG2 4.19Å; L118-V162 HydrophobicContact CD1-CG2 4.43Å; L118-V162 HydrophobicContact CD2-CB 4.49Å; L118-V162 HydrophobicContact CD2-CG2 4.29Å; A147-V162 PolarHBondContact N-O 3.12Å; V156-V162 HydrophobicContact CG2-CG1 4.18Å; S160-V162 PolarHBondContact O-N 3.21Å
163V97.3Very high93.4Very high1 Ų164.7 Ų64.71%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-136.4123.4173.6-175.40000109.3V97 V113 V131 V133 V145V97-V163 HydrophobicContact CB-CG2 4.39Å; V97-V163 HydrophobicContact CG1-CG2 4.02Å; V97-V163 HydrophobicContact CG2-CG2 4.02Å; V113-V163 HydrophobicContact CB-CB 3.93Å; V113-V163 HydrophobicContact CB-CG2 4.43Å; V113-V163 HydrophobicContact CG2-CB 4.08Å; V113-V163 PolarHBondContact N-O 2.98Å; V113-V163 PolarHBondContact O-N 2.83Å; V131-V163 HydrophobicContact CG2-CG1 3.73Å; V131-V163 HydrophobicContact CG2-CG2 4.41Å; V133-V163 HydrophobicContact CG2-CG1 4.24Å; V145-V163 CarbonylContact O-C 3.56Å; V145-V163 WeakPolarHBondContact O-CA 3.23Å
164F97.7Very high93Very high66 Ų6669.6 Ų69.629%0.28933%0.33SS..EExtended strand (participates in β ladder)trans-74.6127.3167.3-60.9-61.4000109.3Y128 G144 V145 A147 I161Y128-F164 HydrophobicContact CD1-CE2 4.49Å; Y128-F164 HydrophobicContact CE1-CE2 4.13Å; G144-F164 CarbonylContact C-O 3.46Å; G144-F164 WeakPolarHBondContact CA-O 3.41Å; V145-F164 HydrophobicContact CB-CB 4.37Å; V145-F164 PolarHBondContact N-O 3.3Å; V145-F164 PolarHBondContact O-N 3.1Å; A147-F164 HydrophobicContact CB-CD2 3.78Å; A147-F164 HydrophobicContact CB-CE1 4.21Å; A147-F164 HydrophobicContact CB-CE2 3.34Å; A147-F164 HydrophobicContact CB-CG 4.39Å; A147-F164 HydrophobicContact CB-CZ 3.58Å; I161-F164 HydrophobicContact CD1-CE1 4.42Å; I161-F164 HydrophobicContact CG2-CD1 3.85Å; I161-F164 HydrophobicContact CG2-CE1 3.82Å
165H96.8Very high92.4Very high26 Ų2663.7 Ų63.712%0.1232%0.315CS..EExtended strand (participates in β ladder)trans-63.1143.1171.4172.6-80.9000110.6F107 H112 D168F107-H165 AromaticContact CD2-CD2 3.93Å; F107-H165 HydrophobicContact CE2-CB 4.1Å; F107-H165 AromaticContact CE2-CD2 3.55Å; F107-H165 AromaticContact CZ-CD2 3.79Å; H112-H165 WeakPolarHBondContact ND1-CB 3.35Å; H112-H165 PolarHBondContact ND1-N 2.95Å; H165-D168 IonicContact CD2-OD2 3.94Å; H165-D168 IonicContact CE1-OD2 3.65Å; H165-D168 PolarHBondContact CE1-OD2 3.35Å; H165-D168 IonicContact NE2-OD2 3.65Å; H165-D168 PolarHBondContact NE2-OD2 2.74Å
166Q94.3Very high91.3Very high86 Ų8659.6 Ų59.640%0.40231%0.305SS..EExtended strand (participates in β ladder)trans-127.6-45.4172.7-68.7-67-74.500112.5F143 V145F143-Q166 HydrophobicContact CB-CB 4.21Å; F143-Q166 WeakPolarHBondContact O-CB 3.36Å; F143-Q166 PolarHBondContact O-N 2.79Å; V145-Q166 HydrophobicContact CG2-CG 3.81Å
167A93.8Very high90Very high3 Ų365 Ų653%0.02533%0.333CS..EExtended strand (participates in β ladder)trans-158.9148.3174.300000109.1I83 G142 F143 E171I83-A167 HydrophobicContact CB-CB 4.3Å; I83-A167 HydrophobicContact CD1-CB 4.31Å; G142-A167 CarbonylContact C-O 3.52Å; G142-A167 VanDerWaalsContact CA-O 3.31Å; G142-A167 WeakPolarHBondContact CA-O 3.31Å; F143-A167 HydrophobicContact CD2-CB 4.26Å; F143-A167 PolarHBondContact N-O 3.1Å; F143-A167 PolarHBondContact O-N 3.29Å; A167-E171 WeakPolarHBondContact CA-OE1 3.19Å
168D94.7Very high88.8Confident0 Ų063.7 Ų63.70%033%0.329CS..EExtended strand (participates in β ladder)trans-140.7157.4179.268.587.6000111.9I83 F107 L108 L141 H165 G170 E171 R174I83-D168 VanDerWaalsContact CD1-C 3.46Å; I83-D168 VanDerWaalsContact CG1-C 3.47Å; I83-D168 WeakPolarHBondContact CG1-O 3.49Å; F107-D168 HydrophobicContact CD1-CB 4.01Å; F107-D168 HydrophobicContact CE1-CB 3.68Å; F107-D168 HydrophobicContact CZ-CB 4.35Å; L108-D168 WeakPolarHBondContact CA-OD1 2.97Å; L108-D168 HydrophobicContact CD2-CB 4.49Å; L141-D168 WeakPolarHBondContact O-CA 3.46Å; H165-D168 IonicContact CD2-OD2 3.94Å; H165-D168 IonicContact CE1-OD2 3.65Å; H165-D168 PolarHBondContact CE1-OD2 3.35Å; H165-D168 IonicContact NE2-OD2 3.65Å; H165-D168 PolarHBondContact NE2-OD2 2.74Å; D168-G170 PolarHBondContact O-N 3.25Å; D168-G170 WeakPolarHBondContact OD1-CA 3.14Å; D168-G170 PolarHBondContact OD1-N 2.86Å; D168-E171 VanDerWaalsContact O-CB 3.25Å; D168-E171 WeakPolarHBondContact O-CB 3.36Å; D168-E171 VanDerWaalsContact O-CG 3.3Å; D168-E171 WeakPolarHBondContact O-CG 3.44Å; D168-E171 PolarHBondContact O-N 2.83Å; D168-E171 PolarHBondContact OD1-N 3.2Å; D168-R174 IonicContact OD1-CZ 2.64Å; D168-R174 IonicContact OD1-NH2 3.41Å; D168-R174 PolarHBondContact OD1-NH2 2.95Å; D168-R174 IonicContact OD2-CZ 3.26Å; D168-R174 IonicContact OD2-NH2 2.72Å; D168-R174 PolarHBondContact OD2-NH2 3.27Å
169V93.8Very high87.4Confident45 Ų4560.7 Ų60.727%0.27331%0.309SS..THydrogen-bonded Turntrans-65.4-18.1-179.4-64.80000113.6I83 L86 L108 L141 E171 F172I83-V169 HydrophobicContact CD1-CG1 4.09Å; I83-V169 HydrophobicContact CG1-CB 4.48Å; I83-V169 HydrophobicContact CG1-CG1 3.91Å; L86-V169 HydrophobicContact CD2-CG1 3.62Å; L108-V169 HydrophobicContact CD2-CG2 3.35Å; L141-V169 PolarHBondContact O-N 2.87Å; V169-E171 PolarHBondContact O-N 2.94Å; V169-F172 HydrophobicContact CB-CD2 4.25Å; V169-F172 HydrophobicContact CB-CE2 4.44Å; V169-F172 HydrophobicContact CG1-CE2 4.38Å; V169-F172 WeakPolarHBondContact O-CB 3.31Å; V169-F172 VanDerWaalsContact O-CD2 3.22Å; V169-F172 WeakPolarHBondContact O-CD2 3.31Å; V169-F172 PolarHBondContact O-N 3.2Å
170G90.7Very high85.5Confident12 Ų1258.1 Ų58.112%0.12430%0.302CS..THydrogen-bonded Turntrans-65.6-14.6170.100000113.2D168 F172 I173 R174D168-G170 PolarHBondContact O-N 3.25Å; D168-G170 WeakPolarHBondContact OD1-CA 3.14Å; D168-G170 PolarHBondContact OD1-N 2.86Å; G170-F172 PolarHBondContact O-N 2.75Å; G170-I173 PolarHBondContact O-N 3.33Å; G170-R174 WeakPolarHBondContact O-CG 3.5Å; G170-R174 PolarHBondContact O-N 3.29Å; G170-R174 PolarHBondContact O-NE 3.23Å
171E88.2Confident85Confident25 Ų2559.5 Ų59.512%0.11731%0.306CS..Hα-helixtrans-61.9-27.5171.3-69.9-177.2-175.200112.5I83 A167 D168 V169 I173 R174 S175 L179I83-E171 HydrophobicContact CG2-CB 4.27Å; A167-E171 WeakPolarHBondContact CA-OE1 3.19Å; D168-E171 VanDerWaalsContact O-CB 3.25Å; D168-E171 WeakPolarHBondContact O-CB 3.36Å; D168-E171 VanDerWaalsContact O-CG 3.3Å; D168-E171 WeakPolarHBondContact O-CG 3.44Å; D168-E171 PolarHBondContact O-N 2.83Å; D168-E171 PolarHBondContact OD1-N 3.2Å; V169-E171 PolarHBondContact O-N 2.94Å; E171-I173 PolarHBondContact O-N 2.78Å; E171-R174 PolarHBondContact O-N 2.88Å; E171-S175 CarbonylContact O-C 3.51Å; E171-S175 WeakPolarHBondContact O-CA 3.21Å; E171-S175 PolarHBondContact O-N 3.46Å; E171-L179 HydrophobicContact CB-CD1 4.15Å
172F87.3Confident84.4Confident97 Ų9759.4 Ų59.443%0.42531%0.306SS..Hα-helixtrans-60.4-31.9176-71.5-61000112.7I83 T84 V169 G170 L179I83-F172 HydrophobicContact CG1-CE2 4.32Å; I83-F172 HydrophobicContact CG2-CD2 4.43Å; I83-F172 HydrophobicContact CG2-CE1 4.11Å; I83-F172 HydrophobicContact CG2-CE2 3.95Å; I83-F172 HydrophobicContact CG2-CZ 3.78Å; T84-F172 HydrophobicContact CG2-CE1 3.63Å; T84-F172 HydrophobicContact CG2-CZ 3.89Å; V169-F172 HydrophobicContact CB-CD2 4.25Å; V169-F172 HydrophobicContact CB-CE2 4.44Å; V169-F172 HydrophobicContact CG1-CE2 4.38Å; V169-F172 WeakPolarHBondContact O-CB 3.31Å; V169-F172 VanDerWaalsContact O-CD2 3.22Å; V169-F172 WeakPolarHBondContact O-CD2 3.31Å; V169-F172 PolarHBondContact O-N 3.2Å; G170-F172 PolarHBondContact O-N 2.75Å; F172-L179 HydrophobicContact CD1-CD1 3.75Å; F172-L179 HydrophobicContact CE1-CD1 4.2Å; F172-L179 HydrophobicContact CG-CD1 4.42Å
173I86.3Confident83.7Confident156 Ų15662.6 Ų62.680%0.832%0.323SS*.Hα-helixtrans-90-33.6179-57173.4000110.8G170 E171G170-I173 PolarHBondContact O-N 3.33Å; E171-I173 PolarHBondContact O-N 2.78Å
174R84.3Confident82.9Confident104 Ų10466.2 Ų66.239%0.39234%0.341SS..Hα-helixtrans-92.3-22.1-171.2-66.6-178.2-68156.6-0.8114.4L108 Y109 D168 G170 E171L108-R174 PolarHBondContact O-NE 2.83Å; L108-R174 PolarHBondContact O-NH2 2.88Å; Y109-R174 PolarHBondContact O-NH1 3.28Å; D168-R174 IonicContact OD1-CZ 2.64Å; D168-R174 IonicContact OD1-NH2 3.41Å; D168-R174 PolarHBondContact OD1-NH2 2.95Å; D168-R174 IonicContact OD2-CZ 3.26Å; D168-R174 IonicContact OD2-NH2 2.72Å; D168-R174 PolarHBondContact OD2-NH2 3.27Å; G170-R174 WeakPolarHBondContact O-CG 3.5Å; G170-R174 PolarHBondContact O-N 3.29Å; G170-R174 PolarHBondContact O-NE 3.23Å; E171-R174 PolarHBondContact O-N 2.88Å
175S76.9Confident82Confident49 Ų4966.3 Ų66.334%0.34334%0.344SS..  trans-150.137.4-165.6-61.10000112.6E171 D177 T178E171-S175 CarbonylContact O-C 3.51Å; E171-S175 WeakPolarHBondContact O-CA 3.21Å; E171-S175 PolarHBondContact O-N 3.46Å; S175-D177 VanDerWaalsContact C-N 3.3Å; S175-D177 PolarHBondContact O-N 3.48Å; S175-T178 PolarHBondContact O-N 2.91Å; S175-T178 PolarHBondContact O-OG1 3.34Å
176E68.3Low81Confident131 Ų13168.9 Ų68.961%0.61236%0.359SS*.Hα-helixtrans-49.3-47.8-179.9-168.9175.6-175.800112.4T178 L179 T180E176-T178 PolarHBondContact O-N 2.87Å; E176-L179 PolarHBondContact O-N 3.02Å; E176-T180 PolarHBondContact O-N 2.82Å; E176-T180 PolarHBondContact O-OG1 3.11Å
177D69.1Low80.1Confident145 Ų14567.7 Ų67.778%0.77536%0.356SS*.Hα-helixtrans-56.7-25.3-179.5-64.2-23000114.4S175S175-D177 VanDerWaalsContact C-N 3.3Å; S175-D177 PolarHBondContact O-N 3.48Å
178T69.6Low79Confident67 Ų6772.7 Ų72.741%0.41138%0.382SS..Hα-helixtrans-93.4-11.8-177.769.20000113.5H82 S175 E176H82-T178 PolarHBondContact CE1-O 3.24Å; S175-T178 PolarHBondContact O-N 2.91Å; S175-T178 PolarHBondContact O-OG1 3.34Å; E176-T178 PolarHBondContact O-N 2.87Å
179L62.5Low77.7Confident10 Ų1078.8 Ų78.85%0.05241%0.414CS..Hα-helixtrans-96-35.5-175.3-66.6171.3000112R43 H82 I83 E171 F172 E176R43-L179 PolarHBondContact NH1-O 2.95Å; H82-L179 HydrophobicContact CB-CD2 4.39Å; I83-L179 HydrophobicContact CG2-CD1 4.23Å; I83-L179 HydrophobicContact CG2-CD2 3.95Å; E171-L179 HydrophobicContact CB-CD1 4.15Å; F172-L179 HydrophobicContact CD1-CD1 3.75Å; F172-L179 HydrophobicContact CE1-CD1 4.2Å; F172-L179 HydrophobicContact CG-CD1 4.42Å; E176-L179 PolarHBondContact O-N 3.02Å
180T55.4Low76.2Confident104 Ų10481.8 Ų81.864%0.63843%0.426SS*.  trans-91.7017153.60000112.6R43 E176R43-T180 PolarHBondContact NH1-O 2.79Å; R43-T180 PolarHBondContact NH1-OXT 3.42Å; R43-T180 PolarHBondContact NH2-OXT 2.91Å; E176-T180 PolarHBondContact O-N 2.82Å; E176-T180 PolarHBondContact O-OG1 3.11Å

Retrieved 180 of 180 residues in 315.3 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).