A0A077ZN89_TRITR Loading...

Branched-chain-amino-acid aminotransferase

AlphaFold DB , UniProt , Accession A0A077ZN89, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 aa.

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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
1M98.3Very high98.2Very high28 Ų2860.8 Ų60.814%0.13834%0.34CS..  01360-175.7170.670.700107.7W9 H10 P12 I73 F77 F124M1-W9 HydrophobicContact CE-CB 3.76Å; M1-W9 HydrophobicContact CE-CD2 3.67Å; M1-W9 HydrophobicContact CE-CE3 3.51Å; M1-W9 HydrophobicContact CE-CG 3.8Å; M1-W9 HydrophobicContact CE-CZ3 4.37Å; M1-W9 HydrophobicContact CG-CB 4.44Å; M1-W9 HydrophobicContact CG-CE3 4.12Å; M1-W9 HydrophobicContact SD-CB 4.01Å; M1-W9 HydrophobicContact SD-CE3 4.5Å; M1-H10 VanDerWaalsContact CG-O 3.27Å; M1-H10 WeakPolarHBondContact CG-O 3.26Å; M1-P12 HydrophobicContact CB-CB 4.4Å; M1-P12 HydrophobicContact CG-CB 4.29Å; M1-P12 HydrophobicContact SD-CB 4.32Å; M1-I73 HydrophobicContact CE-CG2 4.2Å; M1-F77 HydrophobicContact CE-CD1 4.3Å; M1-F77 HydrophobicContact CE-CE1 3.93Å; M1-F77 HydrophobicContact SD-CD1 4.17Å; M1-F77 HydrophobicContact SD-CE1 3.41Å; M1-F77 WeakPolarHBondContact SD-CE1 3.25Å; M1-F77 HydrophobicContact SD-CZ 3.91Å; M1-F124 HydrophobicContact CB-CB 4.3Å; M1-F124 HydrophobicContact CB-CD1 4.37Å; M1-F124 HydrophobicContact CE-CB 4.33Å; M1-F124 HydrophobicContact CE-CD1 3.65Å; M1-F124 HydrophobicContact CE-CE1 4.5Å; M1-F124 HydrophobicContact CE-CG 4.43Å; M1-F124 PolarHBondContact N-O 3.02Å; M1-F124 PolarHBondContact O-N 3.26Å
2N98.6Very high98.2Very high26 Ų2661.9 Ų61.914%0.13935%0.352CS..EExtended strand (participates in β ladder)trans-89.9152.9179.1-73.973.3000109.9W9 H10 R13N2-W9 CarbonylContact O-C 3.53Å; N2-W9 VanDerWaalsContact O-CA 3.29Å; N2-W9 WeakPolarHBondContact O-CA 3.45Å; N2-H10 PolarHBondContact N-O 3.36Å; N2-H10 PolarHBondContact O-N 2.8Å; N2-R13 PolarHBondContact OD1-NH1 3.43Å; N2-R13 PolarHBondContact OD1-NH2 2.75Å
3Y98.8Very high98.2Very high41 Ų4166.5 Ų66.516%0.16136%0.36CS..EExtended strand (participates in β ladder)trans-124.9129.9160.9178.7-83.8000107.9G8 W9 P71 H121 L122Y3-G8 WeakPolarHBondContact CA-O 3.39Å; Y3-W9 AromaticContact CD2-CD1 3.94Å; Y3-W9 AromaticContact CD2-CD2 3.82Å; Y3-W9 HydrophobicContact CD2-CD2 3.82Å; Y3-W9 AromaticContact CD2-CE2 3.78Å; Y3-W9 HydrophobicContact CD2-CE3 4.43Å; Y3-W9 AromaticContact CD2-CG 3.91Å; Y3-W9 HydrophobicContact CD2-CG 3.91Å; Y3-W9 HydrophobicContact CD2-CZ2 4.34Å; Y3-W9 AromaticContact CD2-NE1 3.86Å; Y3-W9 HydrophobicContact CG-CD2 4.32Å; Y3-P71 HydrophobicContact CD1-CG 4.04Å; Y3-P71 HydrophobicContact CD2-CB 3.84Å; Y3-P71 HydrophobicContact CD2-CG 3.78Å; Y3-P71 HydrophobicContact CE1-CG 3.56Å; Y3-P71 HydrophobicContact CE2-CB 3.33Å; Y3-P71 HydrophobicContact CE2-CG 3.27Å; Y3-P71 HydrophobicContact CG-CG 4.14Å; Y3-P71 WeakPolarHBondContact OH-CG 3.3Å; Y3-H121 CarbonylContact O-C 3.59Å; Y3-H121 VanDerWaalsContact O-CA 3.23Å; Y3-H121 WeakPolarHBondContact O-CA 3.34Å; Y3-L122 HydrophobicContact CD1-CD1 3.41Å; Y3-L122 VanDerWaalsContact CD1-CD1 3.41Å; Y3-L122 HydrophobicContact CE1-CD1 4.07Å; Y3-L122 HydrophobicContact CG-CD1 3.98Å; Y3-L122 PolarHBondContact N-O 3.28Å; Y3-L122 PolarHBondContact O-N 2.86Å
4D98.4Very high98.2Very high41 Ų4167.8 Ų67.822%0.21937%0.365CS..EExtended strand (participates in β ladder)trans-127.1135168.8-63.4-33.9000109.2G6 E7 G8 H10 K120 H121D4-G6 PolarHBondContact O-N 2.91Å; D4-E7 HydrophobicContact CB-CB 4.46Å; D4-E7 PolarHBondContact O-N 2.95Å; D4-G8 PolarHBondContact N-O 2.83Å; D4-G8 PolarHBondContact O-N 2.95Å; D4-H10 IonicContact OD2-CE1 2.81Å; D4-H10 PolarHBondContact OD2-CE1 3.43Å; D4-H10 IonicContact OD2-NE2 3.29Å; D4-H10 PolarHBondContact OD2-NE2 2.63Å; D4-K120 CarbonylContact C-O 3.43Å; D4-H121 IonicContact OD1-CD2 3.08Å; D4-H121 PolarHBondContact OD1-CD2 3.11Å; D4-H121 IonicContact OD1-CG 3.02Å
5E96.9Very high98.2Very high118 Ų11869.6 Ų69.655%0.55138%0.379SS*.THydrogen-bonded Turntrans-55.7125.1178.2-175.6-179.4-12300110.5K120E5-K120 HydrophobicContact CB-CB 3.92Å; E5-K120 HydrophobicContact CB-CG 4.3Å; E5-K120 PolarHBondContact N-O 2.52Å; E5-K120 IonicContact OE1-NZ 2.76Å; E5-K120 VanDerWaalsContact OE2-CD 3.3Å; E5-K120 WeakPolarHBondContact OE2-CD 3.49Å; E5-K120 WeakPolarHBondContact OE2-CE 3.35Å; E5-K120 IonicContact OE2-NZ 3.54Å; E5-K120 PolarHBondContact OE2-NZ 3.23Å
6G97.3Very high98.2Very high84 Ų8472.5 Ų72.587%0.86640%0.403SS*.THydrogen-bonded Turntrans93.9-26.1-177.700000114.9D4D4-G6 PolarHBondContact O-N 2.91Å
7E98.1Very high98.3Very high132 Ų13279.9 Ų79.962%0.61743%0.425SS*.THydrogen-bonded Turntrans-97-34.7172.6-175.6167.4170.200111.8D4 H10D4-E7 HydrophobicContact CB-CB 4.46Å; D4-E7 PolarHBondContact O-N 2.95Å; E7-H10 HydrophobicContact CG-CB 4.3Å; E7-H10 IonicContact OE1-CD2 2.73Å; E7-H10 PolarHBondContact OE1-CD2 3.05Å; E7-H10 VanDerWaalsContact OE1-CD2 3.25Å; E7-H10 IonicContact OE1-CG 2.94Å; E7-H10 VanDerWaalsContact OE1-CG 3.23Å; E7-H10 IonicContact OE1-ND1 3.75Å; E7-H10 IonicContact OE1-NE2 3.22Å
8G98.4Very high98.2Very high19 Ų1978.8 Ų78.820%0.19643%0.429CS..EExtended strand (participates in β ladder)trans85-160.7-175.400000112.6Y3 D4 H10Y3-G8 WeakPolarHBondContact CA-O 3.39Å; D4-G8 PolarHBondContact N-O 2.83Å; D4-G8 PolarHBondContact O-N 2.95Å; G8-H10 PolarHBondContact O-N 2.63Å; G8-H10 PolarHBondContact O-ND1 3.31Å
9W98.6Very high98.2Very high54 Ų5481.8 Ų81.821%0.20545%0.452CS..EExtended strand (participates in β ladder)trans-72.2122.6176.7-68.8108.3000110.9M1 N2 Y3 I70 P71 K72 I73 I107 L122 F124M1-W9 HydrophobicContact CE-CB 3.76Å; M1-W9 HydrophobicContact CE-CD2 3.67Å; M1-W9 HydrophobicContact CE-CE3 3.51Å; M1-W9 HydrophobicContact CE-CG 3.8Å; M1-W9 HydrophobicContact CE-CZ3 4.37Å; M1-W9 HydrophobicContact CG-CB 4.44Å; M1-W9 HydrophobicContact CG-CE3 4.12Å; M1-W9 HydrophobicContact SD-CB 4.01Å; M1-W9 HydrophobicContact SD-CE3 4.5Å; N2-W9 CarbonylContact O-C 3.53Å; N2-W9 VanDerWaalsContact O-CA 3.29Å; N2-W9 WeakPolarHBondContact O-CA 3.45Å; Y3-W9 AromaticContact CD2-CD1 3.94Å; Y3-W9 AromaticContact CD2-CD2 3.82Å; Y3-W9 HydrophobicContact CD2-CD2 3.82Å; Y3-W9 AromaticContact CD2-CE2 3.78Å; Y3-W9 HydrophobicContact CD2-CE3 4.43Å; Y3-W9 AromaticContact CD2-CG 3.91Å; Y3-W9 HydrophobicContact CD2-CG 3.91Å; Y3-W9 HydrophobicContact CD2-CZ2 4.34Å; Y3-W9 AromaticContact CD2-NE1 3.86Å; Y3-W9 HydrophobicContact CG-CD2 4.32Å; W9-I70 HydrophobicContact CZ2-CG2 4.33Å; W9-P71 WeakPolarHBondContact CZ2-O 3.49Å; W9-P71 PolarHBondContact NE1-O 2.88Å; W9-K72 VanDerWaalsContact CD1-O 3.3Å; W9-K72 PolarHBondContact NE1-O 2.89Å; W9-I73 HydrophobicContact CD2-CG2 4.1Å; W9-I73 HydrophobicContact CH2-CG2 4.42Å; W9-I73 HydrophobicContact CZ2-CG2 3.76Å; W9-I107 HydrophobicContact CH2-CD1 4.06Å; W9-I107 HydrophobicContact CH2-CG1 4.27Å; W9-I107 HydrophobicContact CH2-CG2 3.79Å; W9-I107 HydrophobicContact CZ2-CD1 4.11Å; W9-I107 HydrophobicContact CZ2-CG2 4.46Å; W9-L122 HydrophobicContact CH2-CB 4.26Å; W9-F124 HydrophobicContact CE3-CB 4.17Å; W9-F124 HydrophobicContact CH2-CB 3.91Å; W9-F124 HydrophobicContact CZ3-CB 3.47Å; W9-F124 VanDerWaalsContact CZ3-CB 3.47Å
10H98.4Very high98.2Very high36 Ų3681.9 Ų81.917%0.16745%0.451CS..EExtended strand (participates in β ladder)trans-150.5174.6-175.367.4-79.1000112.1M1 N2 D4 E7 G8M1-H10 VanDerWaalsContact CG-O 3.27Å; M1-H10 WeakPolarHBondContact CG-O 3.26Å; N2-H10 PolarHBondContact N-O 3.36Å; N2-H10 PolarHBondContact O-N 2.8Å; D4-H10 IonicContact OD2-CE1 2.81Å; D4-H10 PolarHBondContact OD2-CE1 3.43Å; D4-H10 IonicContact OD2-NE2 3.29Å; D4-H10 PolarHBondContact OD2-NE2 2.63Å; E7-H10 HydrophobicContact CG-CB 4.3Å; E7-H10 IonicContact OE1-CD2 2.73Å; E7-H10 PolarHBondContact OE1-CD2 3.05Å; E7-H10 VanDerWaalsContact OE1-CD2 3.25Å; E7-H10 IonicContact OE1-CG 2.94Å; E7-H10 VanDerWaalsContact OE1-CG 3.23Å; E7-H10 IonicContact OE1-ND1 3.75Å; E7-H10 IonicContact OE1-NE2 3.22Å; G8-H10 PolarHBondContact O-N 2.63Å; G8-H10 PolarHBondContact O-ND1 3.31Å
11N97.9Very high98.1Very high90 Ų9082.8 Ų82.848%0.48147%0.469SS..  trans51.252.3177.8-169.413.6000114.5R13N11-R13 VanDerWaalsContact CG-NH1 3.34Å; N11-R13 PolarHBondContact ND2-NH1 2.82Å; N11-R13 VanDerWaalsContact ND2-NH1 3.18Å; N11-R13 PolarHBondContact O-NH1 3.01Å
12P98.4Very high98.1Very high74 Ų7484.6 Ų84.648%0.48148%0.479SS..  trans-67.2139.817131.8-35.3000110.4M1 F77M1-P12 HydrophobicContact CB-CB 4.4Å; M1-P12 HydrophobicContact CG-CB 4.29Å; M1-P12 HydrophobicContact SD-CB 4.32Å; P12-F77 HydrophobicContact CB-CE2 4.37Å; P12-F77 HydrophobicContact CB-CZ 3.62Å; P12-F77 HydrophobicContact CG-CE2 4.36Å; P12-F77 HydrophobicContact CG-CZ 4.04Å
13R98.5Very high98.1Very high122 Ų12287.1 Ų87.146%0.4649%0.492SS..  trans-157.9142.4-175.856.7-167.5-179.2-83.83.6110.6N2 N11 V15N2-R13 PolarHBondContact OD1-NH1 3.43Å; N2-R13 PolarHBondContact OD1-NH2 2.75Å; N11-R13 VanDerWaalsContact CG-NH1 3.34Å; N11-R13 PolarHBondContact ND2-NH1 2.82Å; N11-R13 VanDerWaalsContact ND2-NH1 3.18Å; N11-R13 PolarHBondContact O-NH1 3.01Å; R13-V15 HydrophobicContact CB-CG1 4.22Å; R13-V15 HydrophobicContact CG-CG1 3.93Å
14I98.7Very high98Very high84 Ų8490.3 Ų90.343%0.43152%0.518SS..  trans-96.7127.5164.4-63.4173.8000106.5T84 L85 V88I14-T84 HydrophobicContact CD1-CG2 3.65Å; I14-L85 HydrophobicContact CD1-CB 4.41Å; I14-L85 HydrophobicContact CD1-CD1 4.5Å; I14-L85 HydrophobicContact CG1-CD1 4.37Å; I14-L85 HydrophobicContact CG2-CD1 3.92Å; I14-V88 HydrophobicContact CD1-CG2 3.98Å; I14-V88 HydrophobicContact CG2-CG1 4.38Å
15V98.1Very high98Very high95 Ų9589.3 Ų89.358%0.57652%0.516SS*.  trans-135.8157.9-176.2-63.20000109.6R13 Y17R13-V15 HydrophobicContact CB-CG1 4.22Å; R13-V15 HydrophobicContact CG-CG1 3.93Å; V15-Y17 PolarHBondContact O-N 3.39Å
16P98.4Very high98.1Very high116 Ų11683.7 Ų83.775%0.75349%0.49SS*.  trans-55.3139.8173.2-25.235000111.9A18P16-A18 PolarHBondContact O-N 3.11Å
17Y98.5Very high98.1Very high199 Ų19979.8 Ų79.878%0.7845%0.449SS*.  trans-60.1124.4176.2-174.5-84000110.6V15 I127V15-Y17 PolarHBondContact O-N 3.39Å; Y17-I127 HydrophobicContact CD2-CG2 4.38Å; Y17-I127 HydrophobicContact CE2-CB 4.33Å; Y17-I127 HydrophobicContact CE2-CG2 3.96Å
18A98.1Very high98Very high60 Ų6074.7 Ų74.750%0.49643%0.427SS..  trans-157.4163.9-176.400000111.2P16P16-A18 PolarHBondContact O-N 3.11Å
19P98.2Very high98Very high135 Ų13579 Ų7988%0.87745%0.445SS*.PPolyproline II helixtrans-55141.2169.4-24.934.9000112.4
20I97.3Very high97.9Very high84 Ų8480.7 Ų80.743%0.43146%0.456SS..PPolyproline II helixtrans-93.3119.5173.5-58.7175.6000108.2L22 F108 L123 V125I20-L22 HydrophobicContact CG2-CD2 4.03Å; I20-L22 HydrophobicContact CG2-CG 4.28Å; I20-F108 HydrophobicContact CD1-CZ 4.18Å; I20-F108 HydrophobicContact CG2-CZ 4.45Å; I20-L123 HydrophobicContact CG2-CD1 4.27Å; I20-V125 HydrophobicContact CD1-CG1 4.5Å; I20-V125 HydrophobicContact CD1-CG2 4.27Å
21A96.6Very high97.8Very high100 Ų10083.5 Ų83.583%0.82647%0.465SS*.PPolyproline II helixtrans-74.3129173.900000110.2
22L97.6Very high97.7Very high66 Ų6680.8 Ų80.835%0.34646%0.458SS..  trans-129.1147.3177.7-63.6176.6000110.3I20 A26 F108 I110I20-L22 HydrophobicContact CG2-CD2 4.03Å; I20-L22 HydrophobicContact CG2-CG 4.28Å; L22-A26 HydrophobicContact CB-CB 4.23Å; L22-F108 HydrophobicContact CD1-CE2 4.16Å; L22-F108 HydrophobicContact CD2-CE2 3.89Å; L22-I110 HydrophobicContact CD2-CB 4.48Å; L22-I110 HydrophobicContact CD2-CG2 3.76Å
23D98.1Very high97.7Very high79 Ų7978.1 Ų78.142%0.42244%0.44SS..  trans-64.1140.3167.3-168-77.6000109.5A25 A26 P112D23-A25 PolarHBondContact O-N 2.77Å; D23-A25 VanDerWaalsContact O-N 3.12Å; D23-A25 WeakPolarHBondContact OD1-CA 3.26Å; D23-A25 VanDerWaalsContact OD1-CB 3.27Å; D23-A25 WeakPolarHBondContact OD1-CB 3.44Å; D23-A25 PolarHBondContact OD1-N 3.06Å; D23-A26 WeakPolarHBondContact O-CB 3.37Å; D23-A26 PolarHBondContact O-N 2.86Å; D23-P112 HydrophobicContact CB-CB 3.76Å
24P97.9Very high97.7Very high108 Ų10873.1 Ų73.170%0.70142%0.424SS*.THydrogen-bonded Turntrans-56.7-24.7174.9-26.535.7000114.3H30P24-H30 PolarHBondContact O-NE2 3.09Å
25A98Very high97.7Very high21 Ų2169.2 Ų69.217%0.17440%0.404CS..THydrogen-bonded Turntrans-90.58.217500000113.6D23 M27 M113 V114D23-A25 PolarHBondContact O-N 2.77Å; D23-A25 VanDerWaalsContact O-N 3.12Å; D23-A25 WeakPolarHBondContact OD1-CA 3.26Å; D23-A25 VanDerWaalsContact OD1-CB 3.27Å; D23-A25 WeakPolarHBondContact OD1-CB 3.44Å; D23-A25 PolarHBondContact OD1-N 3.06Å; A25-M27 PolarHBondContact O-N 3.25Å; A25-M27 VanDerWaalsContact O-N 3.16Å; A25-M113 CarbonylContact O-C 3.56Å; A25-M113 PolarHBondContact O-N 3.47Å; A25-M113 VanDerWaalsContact O-N 3.14Å; A25-M113 VanDerWaalsContact O-O 3.11Å; A25-V114 HydrophobicContact CB-CG1 4.43Å
26A98Very high97.8Very high0 Ų066.2 Ų66.20%038%0.383CS..BIsolated β-bridgetrans-53.4121.6178.300000111.2L22 D23 C28 L29 H30 D111L22-A26 HydrophobicContact CB-CB 4.23Å; D23-A26 WeakPolarHBondContact O-CB 3.37Å; D23-A26 PolarHBondContact O-N 2.86Å; A26-C28 PolarHBondContact O-N 3.09Å; A26-L29 HydrophobicContact CB-CD1 4.19Å; A26-L29 HydrophobicContact CB-CG 4.28Å; A26-L29 WeakPolarHBondContact O-CB 3.1Å; A26-L29 PolarHBondContact O-N 2.72Å; A26-H30 PolarHBondContact O-CD2 3.16Å; A26-D111 CarbonylContact C-O 3.55Å; A26-D111 VanDerWaalsContact CA-O 3.28Å; A26-D111 WeakPolarHBondContact CA-O 3.29Å
27M97.4Very high97.8Very high1 Ų160.7 Ų60.71%0.00535%0.348CS..Hα-helixtrans-55.8-29.4-171.7-77.9-175.165.600115A25 L29 H30 Y31 A109 D111 M113 H117 A119A25-M27 PolarHBondContact O-N 3.25Å; A25-M27 VanDerWaalsContact O-N 3.16Å; M27-L29 PolarHBondContact O-N 2.75Å; M27-H30 PolarHBondContact O-N 3.15Å; M27-Y31 HydrophobicContact CE-CD2 4.03Å; M27-Y31 HydrophobicContact CG-CD2 4.36Å; M27-Y31 PolarHBondContact O-N 3.33Å; M27-A109 HydrophobicContact CB-CB 3.94Å; M27-D111 HydrophobicContact CB-CB 4.47Å; M27-D111 HydrophobicContact CG-CB 3.82Å; M27-D111 PolarHBondContact N-O 2.92Å; M27-D111 HydrophobicContact SD-CB 3.52Å; M27-D111 VanDerWaalsContact SD-CB 3.52Å; M27-M113 WeakPolarHBondContact CG-O 3.45Å; M27-M113 HydrophobicContact SD-CG 4.36Å; M27-H117 WeakPolarHBondContact CE-O 3.36Å; M27-A119 HydrophobicContact SD-CB 4.36Å
28C97.2Very high97.8Very high25 Ų2551.3 Ų51.317%0.16931%0.311CS..Hα-helixtrans-60.7-29.8174.765.90000113.3A26 H30 G32 F108 A109A26-C28 PolarHBondContact O-N 3.09Å; C28-H30 VanDerWaalsContact C-N 3.34Å; C28-G32 PolarHBondContact O-N 3.23Å; C28-F108 HydrophobicContact CB-CB 4.02Å; C28-F108 HydrophobicContact CB-CD2 4.25Å; C28-A109 WeakPolarHBondContact CB-O 3.42Å; C28-A109 PolarHBondContact N-O 2.77Å; C28-A109 PolarHBondContact SG-O 2.64Å
29L97.2Very high97.8Very high109 Ų10948.6 Ų48.657%0.57129%0.288SS*.Hα-helixtrans-76.7-21.9179.5-56.6178.6000112.6A26 M27A26-L29 HydrophobicContact CB-CD1 4.19Å; A26-L29 HydrophobicContact CB-CG 4.28Å; A26-L29 WeakPolarHBondContact O-CB 3.1Å; A26-L29 PolarHBondContact O-N 2.72Å; M27-L29 PolarHBondContact O-N 2.75Å
30H97.4Very high97.8Very high91 Ų9142.9 Ų42.942%0.42125%0.249SC..Hα-helixtrans-109.6-39.2-173.2-63.4-80.7000113.2P24 A26 M27 C28P24-H30 PolarHBondContact O-NE2 3.09Å; A26-H30 PolarHBondContact O-CD2 3.16Å; M27-H30 PolarHBondContact O-N 3.15Å; C28-H30 VanDerWaalsContact C-N 3.34Å
31Y96.9Very high97.9Very high95 Ų9538.9 Ų38.937%0.37323%0.229SC..Hα-helixtrans-125.56-171.2-49.3-52.6000114M27 Q33 V114 V116M27-Y31 HydrophobicContact CE-CD2 4.03Å; M27-Y31 HydrophobicContact CG-CD2 4.36Å; M27-Y31 PolarHBondContact O-N 3.33Å; Y31-Q33 PolarHBondContact O-N 2.9Å; Y31-Q33 VanDerWaalsContact O-N 3.11Å; Y31-V114 VanDerWaalsContact OH-C 3.22Å; Y31-V114 WeakPolarHBondContact OH-CA 3.46Å; Y31-V114 PolarHBondContact OH-O 3.06Å; Y31-V116 HydrophobicContact CD1-CG2 3.87Å; Y31-V116 HydrophobicContact CD2-CG2 4.25Å; Y31-V116 HydrophobicContact CE1-CG2 3.59Å; Y31-V116 HydrophobicContact CE2-CG2 3.97Å; Y31-V116 HydrophobicContact CG-CG2 4.21Å
32G96.1Very high97.9Very high32 Ų3234.3 Ų34.333%0.3319%0.19SC..  trans63.621.4166.200000115.8C28 A34C28-G32 PolarHBondContact O-N 3.23Å; G32-A34 PolarHBondContact O-N 3.27Å
33Q98.1Very high97.8Very high19 Ų1933 Ų339%0.08918%0.181CC..  trans-71.283.7173.8-169-176.213.800109.8Y31 L68 C69 I70 A109Y31-Q33 PolarHBondContact O-N 2.9Å; Y31-Q33 VanDerWaalsContact O-N 3.11Å; Q33-L68 PolarHBondContact NE2-O 2.84Å; Q33-C69 PolarHBondContact NE2-O 2.74Å; Q33-I70 HydrophobicContact CG-CD1 4.46Å; Q33-I70 HydrophobicContact CG-CG1 4.26Å; Q33-A109 HydrophobicContact CB-CB 3.97Å; Q33-A109 HydrophobicContact CG-CB 4.37Å; Q33-A109 PolarHBondContact O-N 3.41Å
34A98.6Very high97.7Very high16 Ų1631.7 Ų31.713%0.13217%0.17CC..EExtended strand (participates in β ladder)trans-155.2147.1178.400000111.6G32 I107 F108 A164G32-A34 PolarHBondContact O-N 3.27Å; A34-I107 CarbonylContact C-O 3.55Å; A34-I107 WeakPolarHBondContact CA-O 3.24Å; A34-I107 WeakPolarHBondContact CB-O 3.36Å; A34-F108 HydrophobicContact CB-CB 3.72Å; A34-A164 HydrophobicContact CB-CB 4.21Å; A34-A164 PolarHBondContact O-N 3.29Å
35D98.8Very high97.4Very high3 Ų331.7 Ų31.72%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-136.3176.9169.163.320.4000111.7L61 S64 N65 L68 F106 I107D35-L61 WeakPolarHBondContact OD1-CD1 3.5Å; D35-S64 WeakPolarHBondContact OD2-CB 3.29Å; D35-N65 PolarHBondContact OD2-N 2.93Å; D35-N65 PolarHBondContact OD2-OD1 3.35Å; D35-L68 HydrophobicContact CB-CD1 3.69Å; D35-F106 WeakPolarHBondContact O-CA 3.36Å; D35-F106 VanDerWaalsContact O-CB 3.23Å; D35-F106 WeakPolarHBondContact O-CB 3.37Å; D35-I107 PolarHBondContact N-O 2.76Å; D35-I107 PolarHBondContact O-N 3.32Å; D35-I107 VanDerWaalsContact O-N 3.11Å; D35-I107 WeakPolarHBondContact OD1-CB 3.5Å; D35-I107 PolarHBondContact OD1-N 3.3Å
36F98.8Very high97.1Very high32 Ų3236.6 Ų36.614%0.1420%0.202CC..EExtended strand (participates in β ladder)trans-154.4167.3178.366.3-78000112.1P105 F106 K162 Y167F36-P105 CarbonylContact C-O 3.59Å; F36-P105 VanDerWaalsContact CA-O 3.29Å; F36-P105 WeakPolarHBondContact CA-O 3.46Å; F36-P105 WeakPolarHBondContact CB-O 3.38Å; F36-F106 HydrophobicContact CB-CB 3.75Å; F36-K162 HydrophobicContact CD1-CG 4.17Å; F36-K162 VanDerWaalsContact CD1-O 3.25Å; F36-K162 WeakPolarHBondContact CD1-O 3.48Å; F36-K162 HydrophobicContact CD2-CD 4.28Å; F36-K162 VanDerWaalsContact CD2-CE 3.42Å; F36-K162 HydrophobicContact CD2-CG 4.19Å; F36-K162 HydrophobicContact CE1-CG 4.02Å; F36-K162 WeakPolarHBondContact CE1-O 3.38Å; F36-K162 HydrophobicContact CE2-CD 4.26Å; F36-K162 HydrophobicContact CE2-CG 4.07Å; F36-K162 HydrophobicContact CG-CG 4.27Å; F36-K162 HydrophobicContact CZ-CG 3.99Å; F36-K162 PolarHBondContact N-O 2.82Å; F36-K162 VanDerWaalsContact O-CB 3.24Å; F36-K162 WeakPolarHBondContact O-CB 3.36Å; F36-K162 WeakPolarHBondContact O-CD 3.33Å; F36-K162 WeakPolarHBondContact O-CG 3.35Å; F36-Y167 AromaticContact CE1-CD2 3.55Å; F36-Y167 HydrophobicContact CE1-CD2 3.55Å; F36-Y167 AromaticContact CE1-CE2 3.3Å; F36-Y167 HydrophobicContact CE1-CE2 3.3Å; F36-Y167 HydrophobicContact CE1-CG 4.43Å; F36-Y167 HydrophobicContact CE2-CE2 4.43Å; F36-Y167 HydrophobicContact CZ-CD1 4.43Å; F36-Y167 AromaticContact CZ-CD2 3.67Å; F36-Y167 HydrophobicContact CZ-CD2 3.67Å; F36-Y167 HydrophobicContact CZ-CE1 4.03Å; F36-Y167 AromaticContact CZ-CE2 3.2Å; F36-Y167 HydrophobicContact CZ-CE2 3.2Å; F36-Y167 HydrophobicContact CZ-CG 4.27Å; F36-Y167 AromaticContact CZ-CZ 3.4Å; F36-Y167 VanDerWaalsContact CZ-CZ 3.4Å
37E98.7Very high96.9Very high0 Ų038.4 Ų38.40%022%0.221CC..  trans-123.5169170.7-99.5-58.4154.200111.9N57 M58 R60 L61 R104 P105E37-N57 HydrophobicContact CG-CB 4.24Å; E37-N57 WeakPolarHBondContact CG-O 3.43Å; E37-N57 PolarHBondContact OE2-ND2 3.2Å; E37-M58 HydrophobicContact CG-CE 4.48Å; E37-R60 VanDerWaalsContact CD-NH2 3.33Å; E37-R60 IonicContact OE1-CZ 3.54Å; E37-R60 VanDerWaalsContact OE1-CZ 3.26Å; E37-R60 IonicContact OE1-NE 2.81Å; E37-R60 PolarHBondContact OE1-NE 3.34Å; E37-R60 IonicContact OE1-NH2 3.23Å; E37-R60 PolarHBondContact OE1-NH2 3.05Å; E37-R60 IonicContact OE2-CZ 3.78Å; E37-R60 IonicContact OE2-NE 2.7Å; E37-R60 IonicContact OE2-NH2 3.78Å; E37-R60 PolarHBondContact OE2-NH2 3.05Å; E37-L61 HydrophobicContact CG-CB 3.92Å; E37-L61 HydrophobicContact CG-CD1 4.28Å; E37-R104 VanDerWaalsContact O-CD 3.27Å; E37-R104 WeakPolarHBondContact O-CD 3.16Å; E37-R104 PolarHBondContact O-NE 3.02Å; E37-P105 HydrophobicContact CB-CB 4.07Å; E37-P105 HydrophobicContact CB-CG 3.85Å; E37-P105 PolarHBondContact N-O 3.2Å
38G98.4Very high96.8Very high1 Ų139.3 Ų39.31%0.0123%0.227CC..  trans-150.8111.1179.800000112.1N57 Y102 T269G38-N57 PolarHBondContact O-ND2 2.99Å; G38-N57 VanDerWaalsContact O-ND2 3.14Å; G38-Y102 VanDerWaalsContact CA-OH 3.24Å; G38-Y102 WeakPolarHBondContact CA-OH 3.4Å; G38-T269 PolarHBondContact O-OG1 2.95Å; G38-T269 VanDerWaalsContact O-OG1 3.09Å
39L98.6Very high96.8Very high3 Ų338.5 Ų38.52%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-140.9178.6176.271.1170.8000110.6P54 N57 I82 I103 P105L39-P54 HydrophobicContact CD1-CB 3.75Å; L39-N57 WeakPolarHBondContact CB-OD1 3.29Å; L39-N57 HydrophobicContact CD1-CB 4.32Å; L39-I82 HydrophobicContact CD1-CD1 4.09Å; L39-I82 HydrophobicContact CD2-CD1 4.18Å; L39-I103 HydrophobicContact CD2-CB 3.67Å; L39-I103 HydrophobicContact CD2-CG2 3.66Å; L39-I103 HydrophobicContact CG-CB 3.95Å; L39-I103 HydrophobicContact CG-CD1 4.03Å; L39-I103 HydrophobicContact CG-CG2 4.3Å; L39-I103 PolarHBondContact N-O 3.32Å; L39-I103 PolarHBondContact O-N 3.08Å; L39-P105 HydrophobicContact CD2-CG 3.8Å
40K98.3Very high96.8Very high15 Ų1533.3 Ų33.37%0.06520%0.195CC..EExtended strand (participates in β ladder)trans-138.1147.2-173.9-75.6172.3169177.90111.4Y42 S100 L101 Y102 T269 A270K40-Y42 HydrophobicContact CB-CD2 4.28Å; K40-Y42 HydrophobicContact CB-CE1 4.15Å; K40-Y42 HydrophobicContact CB-CE2 3.48Å; K40-Y42 VanDerWaalsContact CB-CE2 3.48Å; K40-Y42 VanDerWaalsContact CB-CZ 3.43Å; K40-Y42 WeakPolarHBondContact CB-OH 3.35Å; K40-Y42 HydrophobicContact CD-CE1 4.15Å; K40-Y42 WeakPolarHBondContact CD-OH 3.39Å; K40-Y42 WeakPolarHBondContact O-CE2 3.41Å; K40-S100 WeakPolarHBondContact CD-OG 3.35Å; K40-S100 WeakPolarHBondContact CE-OG 3.19Å; K40-L101 CarbonylContact C-O 3.6Å; K40-L101 VanDerWaalsContact CA-O 3.28Å; K40-L101 WeakPolarHBondContact CA-O 3.45Å; K40-Y102 HydrophobicContact CG-CD2 4.03Å; K40-T269 HydrophobicContact CD-CG2 4.1Å; K40-T269 VanDerWaalsContact CE-O 3.23Å; K40-T269 WeakPolarHBondContact CE-O 3.47Å; K40-T269 HydrophobicContact CG-CG2 4.05Å; K40-T269 PolarHBondContact NZ-O 3.29Å; K40-A270 PolarHBondContact NZ-O 3.38Å
41A98.4Very high96.9Very high0 Ų029 Ų290%018%0.175CC..EExtended strand (participates in β ladder)trans-103.3140.3161.800000110.3I49 G50 L51 V86 V93 S100 L101 I103A41-I49 HydrophobicContact CB-CG2 3.85Å; A41-G50 CarbonylContact C-O 3.52Å; A41-G50 WeakPolarHBondContact CA-O 2.83Å; A41-L51 HydrophobicContact CB-CD2 3.69Å; A41-V86 HydrophobicContact CB-CG1 3.91Å; A41-V93 HydrophobicContact CB-CG2 4.41Å; A41-S100 WeakPolarHBondContact O-CB 3.2Å; A41-L101 HydrophobicContact CB-CB 4.26Å; A41-L101 PolarHBondContact N-O 2.91Å; A41-L101 PolarHBondContact O-N 3.34Å; A41-I103 HydrophobicContact CB-CD1 4.04Å
42Y97.2Very high97Very high4 Ų425.2 Ų25.22%0.01616%0.16CC..EExtended strand (participates in β ladder)trans-126.3126.1-173-56.4-93.3000109.4K40 I49 G50 F52 Q308 W309K40-Y42 HydrophobicContact CB-CD2 4.28Å; K40-Y42 HydrophobicContact CB-CE1 4.15Å; K40-Y42 HydrophobicContact CB-CE2 3.48Å; K40-Y42 VanDerWaalsContact CB-CE2 3.48Å; K40-Y42 VanDerWaalsContact CB-CZ 3.43Å; K40-Y42 WeakPolarHBondContact CB-OH 3.35Å; K40-Y42 HydrophobicContact CD-CE1 4.15Å; K40-Y42 WeakPolarHBondContact CD-OH 3.39Å; K40-Y42 WeakPolarHBondContact O-CE2 3.41Å; Y42-I49 WeakPolarHBondContact O-CA 3.49Å; Y42-G50 PolarHBondContact N-O 3.17Å; Y42-G50 PolarHBondContact O-N 3.32Å; Y42-F52 HydrophobicContact CE2-CB 4.01Å; Y42-Q308 WeakPolarHBondContact CB-O 3.36Å; Y42-Q308 HydrophobicContact CD1-CB 3.99Å; Y42-Q308 HydrophobicContact CD2-CB 4.16Å; Y42-Q308 HydrophobicContact CE1-CB 3.8Å; Y42-Q308 HydrophobicContact CE1-CG 4.26Å; Y42-Q308 HydrophobicContact CE2-CB 4.01Å; Y42-Q308 HydrophobicContact CE2-CG 4.01Å; Y42-Q308 HydrophobicContact CG-CB 4.14Å; Y42-Q308 PolarHBondContact OH-NE2 3.41Å; Y42-Q308 PolarHBondContact OH-OE1 3.38Å; Y42-W309 HydrophobicContact CD1-CD2 4.24Å; Y42-W309 AromaticContact CD1-CE2 3.7Å; Y42-W309 HydrophobicContact CD1-CG 4.45Å; Y42-W309 HydrophobicContact CD1-CZ2 4Å; Y42-W309 AromaticContact CD1-NE1 3.69Å; Y42-W309 HydrophobicContact CE1-CZ2 4.11Å
43R96.7Very high97.1Very high40 Ų4024.3 Ų24.315%0.15115%0.147CC..EExtended strand (participates in β ladder)trans-77.8128.5168.7-169.6175-60.2-78.26.1109.4G47 K90 V93 P94 H95R43-G47 PolarHBondContact NH1-O 2.94Å; R43-K90 PolarHBondContact NH2-O 2.99Å; R43-V93 HydrophobicContact CB-CG1 3.91Å; R43-V93 PolarHBondContact NE-O 3.4Å; R43-V93 VanDerWaalsContact NE-O 3.1Å; R43-V93 PolarHBondContact NH2-O 3.13Å; R43-P94 WeakPolarHBondContact CB-O 3.32Å; R43-H95 VanDerWaalsContact CD-ND1 3.33Å; R43-H95 WeakPolarHBondContact CD-ND1 3.37Å; R43-H95 PolarHBondContact NE-CE1 3.3Å
44R94.7Very high97.1Very high51 Ų5123.5 Ų23.519%0.19214%0.143CC..  trans-94.5166.9179.3-61.9-174.8168.2-177.7-4.7111D46 G47 S48 T319R44-D46 WeakPolarHBondContact CB-OD1 3.46Å; R44-D46 PolarHBondContact O-N 3.34Å; R44-G47 WeakPolarHBondContact O-CA 3.46Å; R44-G47 PolarHBondContact O-N 3.04Å; R44-S48 PolarHBondContact N-O 3.38Å; R44-T319 PolarHBondContact NH2-OG1 2.59Å
45A92Very high97.1Very high107 Ų10726.1 Ų26.188%0.88416%0.155SC*.THydrogen-bonded Turntrans-61.5-29.3-17700000113.7G47A45-G47 PolarHBondContact O-N 3.47Å
46D92.2Very high97.1Very high124 Ų12428.3 Ų28.366%0.66317%0.165SC*.THydrogen-bonded Turntrans-813.3175.169.1-10.6000113.4R44 S48R44-D46 WeakPolarHBondContact CB-OD1 3.46Å; R44-D46 PolarHBondContact O-N 3.34Å; D46-S48 VanDerWaalsContact C-N 3.27Å; D46-S48 PolarHBondContact O-N 2.89Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.39Å; D46-S48 PolarHBondContact OD1-N 3.3Å; D46-S48 PolarHBondContact OD1-OG 2.96Å; D46-S48 PolarHBondContact OD2-OG 3.22Å
47G93.1Very high97.1Very high39 Ų3927 Ų2740%0.40216%0.159SC..SBendtrans84.9-10.5-177.700000114.5R43 R44 A45R43-G47 PolarHBondContact NH1-O 2.94Å; R44-G47 WeakPolarHBondContact O-CA 3.46Å; R44-G47 PolarHBondContact O-N 3.04Å; A45-G47 PolarHBondContact O-N 3.47Å
48S95.5Very high97.1Very high19 Ų1927 Ų2713%0.13316%0.159CC..  trans-66.2157.2176.270.20000111.8R44 D46R44-S48 PolarHBondContact N-O 3.38Å; D46-S48 VanDerWaalsContact C-N 3.27Å; D46-S48 PolarHBondContact O-N 2.89Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.39Å; D46-S48 PolarHBondContact OD1-N 3.3Å; D46-S48 PolarHBondContact OD1-OG 2.96Å; D46-S48 PolarHBondContact OD2-OG 3.22Å
49I97.9Very high97.1Very high8 Ų828.3 Ų28.34%0.04117%0.17CC..EExtended strand (participates in β ladder)trans-111.6130.7177-62.9161.7000108.5A41 Y42 V86 K90 V93 I322A41-I49 HydrophobicContact CB-CG2 3.85Å; Y42-I49 WeakPolarHBondContact O-CA 3.49Å; I49-V86 HydrophobicContact CG2-CG1 4.21Å; I49-K90 HydrophobicContact CD1-CB 3.67Å; I49-V93 HydrophobicContact CD1-CB 4.13Å; I49-V93 HydrophobicContact CD1-CG2 3.83Å; I49-V93 HydrophobicContact CG1-CB 4.42Å; I49-V93 HydrophobicContact CG1-CG1 4.35Å; I49-V93 HydrophobicContact CG1-CG2 4.36Å; I49-V93 HydrophobicContact CG2-CG1 4.45Å; I49-V93 HydrophobicContact CG2-CG2 4.25Å; I49-I322 HydrophobicContact CB-CB 4.41Å; I49-I322 HydrophobicContact CB-CD1 4.39Å; I49-I322 HydrophobicContact CG2-CD1 3.68Å; I49-I322 HydrophobicContact CG2-CG1 4.17Å; I49-I322 PolarHBondContact O-N 2.79Å
50G97.5Very high97.1Very high1 Ų129.5 Ų29.51%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-119.9148.217700000112.4A41 Y42 V320A41-G50 CarbonylContact C-O 3.52Å; A41-G50 WeakPolarHBondContact CA-O 2.83Å; Y42-G50 PolarHBondContact N-O 3.17Å; Y42-G50 PolarHBondContact O-N 3.32Å; G50-V320 CarbonylContact C-O 3.59Å; G50-V320 WeakPolarHBondContact CA-O 3.24Å
51L98.5Very high97.1Very high1 Ų128.8 Ų28.81%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-103.2156167.9-57.4178.4000109.6A41 P54 I82 K83 I103 T319 V320 I322A41-L51 HydrophobicContact CB-CD2 3.69Å; L51-P54 HydrophobicContact CB-CB 4.26Å; L51-P54 HydrophobicContact CB-CG 3.94Å; L51-P54 HydrophobicContact CD1-CB 4.1Å; L51-P54 HydrophobicContact CD1-CG 4.12Å; L51-I82 HydrophobicContact CD1-CG2 3.96Å; L51-I82 HydrophobicContact CD2-CG2 4.46Å; L51-K83 HydrophobicContact CD1-CG 3.86Å; L51-I103 HydrophobicContact CD2-CD1 3.62Å; L51-T319 VanDerWaalsContact O-CA 3.29Å; L51-T319 WeakPolarHBondContact O-CA 3.43Å; L51-V320 HydrophobicContact CB-CB 4.43Å; L51-V320 PolarHBondContact N-O 3.44Å; L51-V320 PolarHBondContact O-N 2.96Å; L51-I322 HydrophobicContact CD1-CD1 4.48Å; L51-I322 HydrophobicContact CD1-CG1 4.42Å; L51-I322 HydrophobicContact CD2-CD1 4.09Å; L51-I322 HydrophobicContact CG-CD1 4.16Å; L51-I322 HydrophobicContact CG-CG1 4.13Å
52F98.5Very high97.2Very high14 Ų1429.2 Ų29.26%0.06117%0.174CC..EExtended strand (participates in β ladder)trans-115.8114.8176.4-174.3-96.2000111Y42 P54 S230 L304 I307 Q308 W318 T319Y42-F52 HydrophobicContact CE2-CB 4.01Å; F52-P54 VanDerWaalsContact C-CD 3.44Å; F52-S230 WeakPolarHBondContact CZ-OG 3.48Å; F52-L304 HydrophobicContact CZ-CD2 4.24Å; F52-I307 HydrophobicContact CE2-CG2 4.27Å; F52-Q308 HydrophobicContact CB-CG 4.11Å; F52-Q308 HydrophobicContact CD2-CG 3.61Å; F52-Q308 HydrophobicContact CE2-CG 4.17Å; F52-Q308 HydrophobicContact CG-CG 3.89Å; F52-W318 HydrophobicContact CD2-CB 4.3Å; F52-W318 HydrophobicContact CE2-CB 3.85Å; F52-W318 HydrophobicContact CE2-CD2 4.31Å; F52-W318 AromaticContact CE2-CE3 3.72Å; F52-W318 HydrophobicContact CE2-CE3 3.72Å; F52-W318 HydrophobicContact CE2-CG 4.42Å; F52-W318 HydrophobicContact CZ-CB 4.33Å; F52-W318 HydrophobicContact CZ-CD2 4.19Å; F52-W318 AromaticContact CZ-CE3 3.67Å; F52-W318 HydrophobicContact CZ-CE3 3.67Å; F52-W318 HydrophobicContact CZ-CZ3 4.37Å; F52-T319 HydrophobicContact CD2-CG2 4.17Å
53R98.5Very high97.2Very high14 Ų1432.3 Ų32.35%0.05319%0.193CC..SBendtrans45.346.5-180-54.7-173.782164.914.4114.4D55 Q56 N57 I226 S230 E233 W318R53-D55 WeakPolarHBondContact CA-OD1 3.46Å; R53-D55 PolarHBondContact O-N 3.42Å; R53-Q56 HydrophobicContact CB-CB 4.15Å; R53-Q56 HydrophobicContact CB-CG 3.9Å; R53-Q56 WeakPolarHBondContact O-CB 3.31Å; R53-Q56 PolarHBondContact O-N 2.82Å; R53-N57 PolarHBondContact O-N 2.74Å; R53-N57 PolarHBondContact O-OD1 3.33Å; R53-I226 HydrophobicContact CB-CG2 3.85Å; R53-I226 HydrophobicContact CG-CG2 4.37Å; R53-S230 WeakPolarHBondContact CD-OG 3.29Å; R53-S230 PolarHBondContact NH1-OG 2.88Å; R53-E233 IonicContact CZ-OE1 3.25Å; R53-E233 IonicContact NH1-OE1 3.05Å; R53-E233 PolarHBondContact NH1-OE1 2.98Å; R53-E233 IonicContact NH2-OE1 3.91Å; R53-E233 PolarHBondContact NH2-OE1 2.89Å; R53-E233 IonicContact NH2-OE2 2.76Å; R53-W318 WeakPolarHBondContact CA-O 3.29Å; R53-W318 HydrophobicContact CG-CB 3.62Å; R53-W318 HydrophobicContact CG-CG 3.79Å; R53-W318 PolarHBondContact N-O 3.48Å
54P98.6Very high97.3Very high1 Ų130.4 Ų30.41%0.00619%0.186CC..Hα-helixtrans-62.9-28.3-176.129.4-36.7000112.9L39 L51 F52 Q56 N57 M58 V79 V320L39-P54 HydrophobicContact CD1-CB 3.75Å; L51-P54 HydrophobicContact CB-CB 4.26Å; L51-P54 HydrophobicContact CB-CG 3.94Å; L51-P54 HydrophobicContact CD1-CB 4.1Å; L51-P54 HydrophobicContact CD1-CG 4.12Å; F52-P54 VanDerWaalsContact C-CD 3.44Å; P54-Q56 VanDerWaalsContact C-N 3.34Å; P54-N57 WeakPolarHBondContact O-CB 3.15Å; P54-N57 PolarHBondContact O-N 2.86Å; P54-M58 PolarHBondContact O-N 2.81Å; P54-M58 VanDerWaalsContact O-N 3.13Å; P54-V79 HydrophobicContact CB-CG1 4.32Å; P54-V79 HydrophobicContact CB-CG2 4.26Å; P54-V79 HydrophobicContact CG-CG1 4.13Å; P54-V320 HydrophobicContact CG-CB 4.04Å; P54-V320 HydrophobicContact CG-CG2 3.71Å
55D98.4Very high97.5Very high71 Ų7128 Ų2838%0.3818%0.177SC..Hα-helixtrans-58.5-44172.364.6-54.6000111.5R53 N57 M58 A59R53-D55 WeakPolarHBondContact CA-OD1 3.46Å; R53-D55 PolarHBondContact O-N 3.42Å; D55-N57 VanDerWaalsContact C-N 3.28Å; D55-N57 PolarHBondContact O-N 2.91Å; D55-M58 PolarHBondContact O-N 3.35Å; D55-A59 WeakPolarHBondContact O-CB 3.41Å; D55-A59 PolarHBondContact O-N 3.15Å
56Q98.6Very high97.8Very high50 Ų5028 Ų2823%0.23416%0.162CC..Hα-helixtrans-67.4-31.2179.2-58.6-64.3-68.600111.8R53 P54 R60 I226R53-Q56 HydrophobicContact CB-CB 4.15Å; R53-Q56 HydrophobicContact CB-CG 3.9Å; R53-Q56 WeakPolarHBondContact O-CB 3.31Å; R53-Q56 PolarHBondContact O-N 2.82Å; P54-Q56 VanDerWaalsContact C-N 3.34Å; Q56-R60 WeakPolarHBondContact O-CB 3.4Å; Q56-R60 PolarHBondContact O-N 3Å; Q56-I226 HydrophobicContact CB-CD1 3.86Å; Q56-I226 HydrophobicContact CB-CG1 3.92Å; Q56-I226 HydrophobicContact CB-CG2 4.22Å
57N98.8Very high98.1Very high3 Ų326.9 Ų26.92%0.01615%0.148CC..Hα-helixtrans-66.6-45.6173-69.395.2000111.1E37 G38 L39 R53 P54 D55 R60 L61 I226E37-N57 HydrophobicContact CG-CB 4.24Å; E37-N57 WeakPolarHBondContact CG-O 3.43Å; E37-N57 PolarHBondContact OE2-ND2 3.2Å; G38-N57 PolarHBondContact O-ND2 2.99Å; G38-N57 VanDerWaalsContact O-ND2 3.14Å; L39-N57 WeakPolarHBondContact CB-OD1 3.29Å; L39-N57 HydrophobicContact CD1-CB 4.32Å; R53-N57 PolarHBondContact O-N 2.74Å; R53-N57 PolarHBondContact O-OD1 3.33Å; P54-N57 WeakPolarHBondContact O-CB 3.15Å; P54-N57 PolarHBondContact O-N 2.86Å; D55-N57 VanDerWaalsContact C-N 3.28Å; D55-N57 PolarHBondContact O-N 2.91Å; N57-R60 PolarHBondContact O-N 3.36Å; N57-L61 PolarHBondContact O-N 3.15Å; N57-I226 HydrophobicContact CB-CD1 4.09Å; N57-I226 VanDerWaalsContact ND2-CD1 3.29Å; N57-I226 WeakPolarHBondContact ND2-CD1 3.29Å; N57-I226 WeakPolarHBondContact OD1-CD1 3.42Å
58M98.7Very high98.3Very high0 Ų026.3 Ų26.30%014%0.136CC..Hα-helixtrans-67.1-38.8179.3-63.1-56.292.500111.9E37 P54 D55 R60 L61 N62 I73 E75 V79 I82 P105E37-M58 HydrophobicContact CG-CE 4.48Å; P54-M58 PolarHBondContact O-N 2.81Å; P54-M58 VanDerWaalsContact O-N 3.13Å; D55-M58 PolarHBondContact O-N 3.35Å; M58-R60 PolarHBondContact O-N 3.44Å; M58-L61 WeakPolarHBondContact O-CB 3.32Å; M58-L61 PolarHBondContact O-N 3.47Å; M58-N62 PolarHBondContact O-N 2.92Å; M58-N62 VanDerWaalsContact O-N 3.09Å; M58-I73 HydrophobicContact SD-CD1 3.99Å; M58-E75 HydrophobicContact CB-CB 3.92Å; M58-E75 HydrophobicContact CB-CG 4.15Å; M58-V79 HydrophobicContact CB-CG2 4.5Å; M58-V79 HydrophobicContact CG-CG2 3.77Å; M58-I82 HydrophobicContact CE-CD1 3.61Å; M58-I82 HydrophobicContact SD-CD1 3.98Å; M58-P105 HydrophobicContact CE-CB 4.35Å; M58-P105 HydrophobicContact CE-CG 3.98Å
59A98.7Very high98.4Very high30 Ų3029 Ų2925%0.24815%0.154CC..Hα-helixtrans-60-43.8172.300000112.2D55 N62 V63D55-A59 WeakPolarHBondContact O-CB 3.41Å; D55-A59 PolarHBondContact O-N 3.15Å; A59-N62 WeakPolarHBondContact O-CB 3.41Å; A59-N62 PolarHBondContact O-N 3.2Å; A59-V63 PolarHBondContact O-N 3.43Å; A59-V63 VanDerWaalsContact O-N 3.12Å
60R98.8Very high98.5Very high27 Ų2729 Ų2910%0.10215%0.153CC..Hα-helixtrans-71.7-30.7178.3-170.2174.865.9-173.4-2.5113.1E37 Q56 N57 M58 N62 V63 S64 G224E37-R60 VanDerWaalsContact CD-NH2 3.33Å; E37-R60 IonicContact OE1-CZ 3.54Å; E37-R60 VanDerWaalsContact OE1-CZ 3.26Å; E37-R60 IonicContact OE1-NE 2.81Å; E37-R60 PolarHBondContact OE1-NE 3.34Å; E37-R60 IonicContact OE1-NH2 3.23Å; E37-R60 PolarHBondContact OE1-NH2 3.05Å; E37-R60 IonicContact OE2-CZ 3.78Å; E37-R60 IonicContact OE2-NE 2.7Å; E37-R60 IonicContact OE2-NH2 3.78Å; E37-R60 PolarHBondContact OE2-NH2 3.05Å; Q56-R60 WeakPolarHBondContact O-CB 3.4Å; Q56-R60 PolarHBondContact O-N 3Å; N57-R60 PolarHBondContact O-N 3.36Å; M58-R60 PolarHBondContact O-N 3.44Å; R60-N62 VanDerWaalsContact C-N 3.29Å; R60-N62 PolarHBondContact O-N 3Å; R60-V63 WeakPolarHBondContact O-CB 3.34Å; R60-V63 PolarHBondContact O-N 2.96Å; R60-S64 PolarHBondContact O-N 2.95Å; R60-S64 PolarHBondContact O-OG 2.77Å; R60-G224 WeakPolarHBondContact CD-O 3.37Å; R60-G224 PolarHBondContact NH1-O 3.46Å; R60-G224 VanDerWaalsContact NH1-O 3.14Å
61L98.8Very high98.5Very high0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-59-44.9169.1-173.362.8000109.7D35 E37 N57 M58 V63 S64 N65 I73 I107 F124D35-L61 WeakPolarHBondContact OD1-CD1 3.5Å; E37-L61 HydrophobicContact CG-CB 3.92Å; E37-L61 HydrophobicContact CG-CD1 4.28Å; N57-L61 PolarHBondContact O-N 3.15Å; M58-L61 WeakPolarHBondContact O-CB 3.32Å; M58-L61 PolarHBondContact O-N 3.47Å; L61-V63 VanDerWaalsContact C-N 3.32Å; L61-V63 PolarHBondContact O-N 3.24Å; L61-S64 CarbonylContact O-C 3.55Å; L61-S64 WeakPolarHBondContact O-CA 3.12Å; L61-S64 WeakPolarHBondContact O-CB 3.34Å; L61-S64 PolarHBondContact O-N 2.89Å; L61-N65 WeakPolarHBondContact O-CB 3.35Å; L61-N65 VanDerWaalsContact O-CG 3.24Å; L61-N65 PolarHBondContact O-N 3.02Å; L61-N65 PolarHBondContact O-ND2 2.95Å; L61-I73 HydrophobicContact CD2-CD1 3.7Å; L61-I73 HydrophobicContact CD2-CG1 4.36Å; L61-I107 HydrophobicContact CD1-CD1 4.43Å; L61-I107 HydrophobicContact CD2-CD1 4.05Å; L61-I107 HydrophobicContact CG-CD1 4.28Å; L61-F124 HydrophobicContact CD2-CE2 4Å; L61-F124 HydrophobicContact CD2-CZ 4.46Å
62N98.8Very high98.5Very high10 Ų1036.2 Ų36.25%0.05319%0.188CC..Hα-helixtrans-64.7-30.1176.1-82.9-20.6000114.6M58 A59 R60 N65 D66 K72 I73 E75M58-N62 PolarHBondContact O-N 2.92Å; M58-N62 VanDerWaalsContact O-N 3.09Å; A59-N62 WeakPolarHBondContact O-CB 3.41Å; A59-N62 PolarHBondContact O-N 3.2Å; R60-N62 VanDerWaalsContact C-N 3.29Å; R60-N62 PolarHBondContact O-N 3Å; N62-N65 PolarHBondContact OD1-ND2 2.99Å; N62-N65 VanDerWaalsContact OD1-ND2 3.16Å; N62-D66 WeakPolarHBondContact O-CB 3.29Å; N62-D66 PolarHBondContact O-N 2.75Å; N62-D66 VanDerWaalsContact O-N 3.07Å; N62-K72 HydrophobicContact CB-CD 4.43Å; N62-K72 HydrophobicContact CB-CG 4.26Å; N62-K72 VanDerWaalsContact OD1-CA 3.3Å; N62-K72 WeakPolarHBondContact OD1-CA 3.47Å; N62-K72 WeakPolarHBondContact OD1-CB 3.45Å; N62-I73 PolarHBondContact ND2-O 2.94Å; N62-I73 PolarHBondContact OD1-N 3.03Å; N62-I73 PolarHBondContact OD1-O 2.87Å; N62-E75 WeakPolarHBondContact ND2-CG 3.46Å; N62-E75 PolarHBondContact ND2-OE1 2.83Å
63V98.5Very high98.5Very high69 Ų6935.9 Ų35.942%0.41819%0.187SC..Hα-helixtrans-65.4-40.8169.9173.60000111.2A59 R60 L61 R67 F160A59-V63 PolarHBondContact O-N 3.43Å; A59-V63 VanDerWaalsContact O-N 3.12Å; R60-V63 WeakPolarHBondContact O-CB 3.34Å; R60-V63 PolarHBondContact O-N 2.96Å; L61-V63 VanDerWaalsContact C-N 3.32Å; L61-V63 PolarHBondContact O-N 3.24Å; V63-R67 PolarHBondContact O-N 2.75Å; V63-F160 HydrophobicContact CG1-CD2 3.95Å; V63-F160 HydrophobicContact CG1-CE2 3.84Å
64S98.8Very high98.5Very high0 Ų040.2 Ų40.20%021%0.211CC..Hα-helixtrans-68-43.2176.1-55.10000111.1D35 R60 L61 D66 R67 L68 K162D35-S64 WeakPolarHBondContact OD2-CB 3.29Å; R60-S64 PolarHBondContact O-N 2.95Å; R60-S64 PolarHBondContact O-OG 2.77Å; L61-S64 CarbonylContact O-C 3.55Å; L61-S64 WeakPolarHBondContact O-CA 3.12Å; L61-S64 WeakPolarHBondContact O-CB 3.34Å; L61-S64 PolarHBondContact O-N 2.89Å; S64-D66 PolarHBondContact O-N 3.28Å; S64-R67 PolarHBondContact O-N 3.3Å; S64-L68 WeakPolarHBondContact O-CB 3.49Å; S64-L68 WeakPolarHBondContact O-CG 3.44Å; S64-L68 PolarHBondContact O-N 3.41Å; S64-K162 PolarHBondContact OG-N 3.38Å
65N98.7Very high98.5Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-55.4-50.8177.7-73.8-23.6000111.6D35 L61 N62 R67 L68 C69 I70 I107D35-N65 PolarHBondContact OD2-N 2.93Å; D35-N65 PolarHBondContact OD2-OD1 3.35Å; L61-N65 WeakPolarHBondContact O-CB 3.35Å; L61-N65 VanDerWaalsContact O-CG 3.24Å; L61-N65 PolarHBondContact O-N 3.02Å; L61-N65 PolarHBondContact O-ND2 2.95Å; N62-N65 PolarHBondContact OD1-ND2 2.99Å; N62-N65 VanDerWaalsContact OD1-ND2 3.16Å; N65-R67 VanDerWaalsContact C-N 3.32Å; N65-R67 PolarHBondContact O-N 2.64Å; N65-L68 CarbonylContact O-C 3.59Å; N65-L68 PolarHBondContact O-N 3.28Å; N65-L68 VanDerWaalsContact O-N 3.12Å; N65-C69 PolarHBondContact O-N 2.8Å; N65-C69 VanDerWaalsContact O-N 3.1Å; N65-I70 CarbonylContact C-O 3.57Å; N65-I70 HydrophobicContact CB-CB 3.92Å; N65-I70 HydrophobicContact CB-CG2 3.99Å; N65-I70 WeakPolarHBondContact CB-O 3.41Å; N65-I70 PolarHBondContact O-N 2.71Å; N65-I70 WeakPolarHBondContact OD1-CG2 3.36Å; N65-I107 WeakPolarHBondContact OD1-CD1 3.35Å
66D98.3Very high98.5Very high106 Ų10643.8 Ų43.857%0.56724%0.237SC*.Hα-helixtrans-55.4-47.1179.9-16984.1000111.7N62 S64 L68 C69 K72N62-D66 WeakPolarHBondContact O-CB 3.29Å; N62-D66 PolarHBondContact O-N 2.75Å; N62-D66 VanDerWaalsContact O-N 3.07Å; S64-D66 PolarHBondContact O-N 3.28Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 2.83Å; D66-C69 PolarHBondContact O-N 2.86Å; D66-K72 IonicContact OD1-NZ 3.63Å
67R97.9Very high98.5Very high102 Ų10245 Ų4539%0.38524%0.241SC..Hα-helixtrans-66.6-32.8179.8-175.759-178.2123.6-6.1113.1V63 S64 N65 G156 G157 T158 F160 T161V63-R67 PolarHBondContact O-N 2.75Å; S64-R67 PolarHBondContact O-N 3.3Å; N65-R67 VanDerWaalsContact C-N 3.32Å; N65-R67 PolarHBondContact O-N 2.64Å; R67-G156 PolarHBondContact NH2-O 2.96Å; R67-G157 PolarHBondContact NE-O 2.88Å; R67-G157 PolarHBondContact NH2-O 3.34Å; R67-T158 HydrophobicContact CG-CG2 4.14Å; R67-F160 HydrophobicContact CB-CZ 4.07Å; R67-F160 HydrophobicContact CG-CE1 4.21Å; R67-F160 HydrophobicContact CG-CZ 3.87Å; R67-T161 HydrophobicContact CB-CG2 3.6Å; R67-T161 HydrophobicContact CG-CG2 3.76Å
68L98.2Very high98.5Very high27 Ų2744.8 Ų44.814%0.14124%0.24CC..THydrogen-bonded Turntrans-93.811.3-177.2-64.5178.5000113.4Q33 D35 S64 N65 D66 I70 T158 A163Q33-L68 PolarHBondContact NE2-O 2.84Å; D35-L68 HydrophobicContact CB-CD1 3.69Å; S64-L68 WeakPolarHBondContact O-CB 3.49Å; S64-L68 WeakPolarHBondContact O-CG 3.44Å; S64-L68 PolarHBondContact O-N 3.41Å; N65-L68 CarbonylContact O-C 3.59Å; N65-L68 PolarHBondContact O-N 3.28Å; N65-L68 VanDerWaalsContact O-N 3.12Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 2.83Å; L68-I70 HydrophobicContact CB-CD1 3.95Å; L68-I70 HydrophobicContact CB-CG1 4.05Å; L68-I70 HydrophobicContact CD1-CD1 4.24Å; L68-I70 PolarHBondContact O-N 3.29Å; L68-T158 HydrophobicContact CD2-CG2 4.39Å; L68-A163 HydrophobicContact CD1-CB 3.85Å; L68-A163 HydrophobicContact CD2-CB 4Å; L68-A163 HydrophobicContact CG-CB 4.35Å
69C98Very high98.5Very high75 Ų7545.7 Ų45.751%0.50725%0.246SC..THydrogen-bonded Turntrans55.533.4-176.4-52.10000112.5Q33 N65 D66 P118Q33-C69 PolarHBondContact NE2-O 2.74Å; N65-C69 PolarHBondContact O-N 2.8Å; N65-C69 VanDerWaalsContact O-N 3.1Å; D66-C69 PolarHBondContact O-N 2.86Å; C69-P118 HydrophobicContact CB-CB 3.73Å; C69-P118 HydrophobicContact CB-CG 3.87Å
70I98.5Very high98.4Very high7 Ų748.7 Ų48.74%0.03625%0.254CS..PPolyproline II helixtrans-95.7134.6174-64.8172.9000107.7W9 Q33 N65 L68 K72 I107 L122W9-I70 HydrophobicContact CZ2-CG2 4.33Å; Q33-I70 HydrophobicContact CG-CD1 4.46Å; Q33-I70 HydrophobicContact CG-CG1 4.26Å; N65-I70 CarbonylContact C-O 3.57Å; N65-I70 HydrophobicContact CB-CB 3.92Å; N65-I70 HydrophobicContact CB-CG2 3.99Å; N65-I70 WeakPolarHBondContact CB-O 3.41Å; N65-I70 PolarHBondContact O-N 2.71Å; N65-I70 WeakPolarHBondContact OD1-CG2 3.36Å; L68-I70 HydrophobicContact CB-CD1 3.95Å; L68-I70 HydrophobicContact CB-CG1 4.05Å; L68-I70 HydrophobicContact CD1-CD1 4.24Å; L68-I70 PolarHBondContact O-N 3.29Å; I70-K72 PolarHBondContact O-N 3.3Å; I70-I107 HydrophobicContact CD1-CB 4.41Å; I70-I107 HydrophobicContact CD1-CG2 4.1Å; I70-I107 HydrophobicContact CG2-CD1 4.23Å; I70-I107 HydrophobicContact CG2-CG2 3.77Å; I70-L122 HydrophobicContact CB-CD2 4.32Å; I70-L122 HydrophobicContact CD1-CD2 4.33Å; I70-L122 HydrophobicContact CG1-CD2 3.79Å; I70-L122 HydrophobicContact CG2-CD2 4Å
71P98.4Very high98.4Very high31 Ų3148.5 Ų48.520%0.20126%0.259CS..PPolyproline II helixtrans-58.2133173-21.730.7000111.8Y3 W9 L122Y3-P71 HydrophobicContact CD1-CG 4.04Å; Y3-P71 HydrophobicContact CD2-CB 3.84Å; Y3-P71 HydrophobicContact CD2-CG 3.78Å; Y3-P71 HydrophobicContact CE1-CG 3.56Å; Y3-P71 HydrophobicContact CE2-CB 3.33Å; Y3-P71 HydrophobicContact CE2-CG 3.27Å; Y3-P71 HydrophobicContact CG-CG 4.14Å; Y3-P71 WeakPolarHBondContact OH-CG 3.3Å; W9-P71 WeakPolarHBondContact CZ2-O 3.49Å; W9-P71 PolarHBondContact NE1-O 2.88Å; P71-L122 HydrophobicContact CG-CD1 4.4Å
72K98.4Very high98.4Very high123 Ų12348.5 Ų48.554%0.53526%0.259SS..PPolyproline II helixtrans-59.9145.4177.6-67.1-178.5-177.7175.90111.3W9 N62 D66 I70W9-K72 VanDerWaalsContact CD1-O 3.3Å; W9-K72 PolarHBondContact NE1-O 2.89Å; N62-K72 HydrophobicContact CB-CD 4.43Å; N62-K72 HydrophobicContact CB-CG 4.26Å; N62-K72 VanDerWaalsContact OD1-CA 3.3Å; N62-K72 WeakPolarHBondContact OD1-CA 3.47Å; N62-K72 WeakPolarHBondContact OD1-CB 3.45Å; D66-K72 IonicContact OD1-NZ 3.63Å; I70-K72 PolarHBondContact O-N 3.3Å
73I98.2Very high98.4Very high7 Ų749.4 Ų49.44%0.03626%0.262CS..PPolyproline II helixtrans-92.6155.4168.663.8161.6000109.5M1 W9 M58 L61 N62 E75 I107 F124M1-I73 HydrophobicContact CE-CG2 4.2Å; W9-I73 HydrophobicContact CD2-CG2 4.1Å; W9-I73 HydrophobicContact CH2-CG2 4.42Å; W9-I73 HydrophobicContact CZ2-CG2 3.76Å; M58-I73 HydrophobicContact SD-CD1 3.99Å; L61-I73 HydrophobicContact CD2-CD1 3.7Å; L61-I73 HydrophobicContact CD2-CG1 4.36Å; N62-I73 PolarHBondContact ND2-O 2.94Å; N62-I73 PolarHBondContact OD1-N 3.03Å; N62-I73 PolarHBondContact OD1-O 2.87Å; I73-E75 PolarHBondContact O-N 3.26Å; I73-I107 HydrophobicContact CG2-CD1 4.03Å; I73-F124 HydrophobicContact CD1-CE1 4.12Å; I73-F124 HydrophobicContact CD1-CZ 4.1Å
74D98.5Very high98.4Very high105 Ų10549.5 Ų49.556%0.56126%0.263SS*.PPolyproline II helixtrans-66.9120.6164.4-179.2-51.2000108.9A76 F77 G78D74-A76 WeakPolarHBondContact OD1-CA 3.31Å; D74-A76 WeakPolarHBondContact OD1-CB 3.47Å; D74-A76 PolarHBondContact OD1-N 3.2Å; D74-F77 HydrophobicContact CB-CB 3.8Å; D74-F77 PolarHBondContact O-N 2.79Å; D74-F77 PolarHBondContact OD1-N 2.94Å; D74-G78 PolarHBondContact O-N 2.84Å
75E98.6Very high98.4Very high81 Ų8150.6 Ų50.638%0.37927%0.269SS..Hα-helixtrans-67.9-39.6-174.4-64.3175.7-168.100112.1M58 N62 I73 G78 V79M58-E75 HydrophobicContact CB-CB 3.92Å; M58-E75 HydrophobicContact CB-CG 4.15Å; N62-E75 WeakPolarHBondContact ND2-CG 3.46Å; N62-E75 PolarHBondContact ND2-OE1 2.83Å; I73-E75 PolarHBondContact O-N 3.26Å; E75-G78 PolarHBondContact O-N 2.9Å; E75-V79 WeakPolarHBondContact O-CG2 3.49Å; E75-V79 PolarHBondContact O-N 2.9Å
76A98.4Very high98.4Very high67 Ų6750.6 Ų50.655%0.55427%0.269SS*.Hα-helixtrans-66.9-42.3178.200000110.3D74 G78 V79 E80D74-A76 WeakPolarHBondContact OD1-CA 3.31Å; D74-A76 WeakPolarHBondContact OD1-CB 3.47Å; D74-A76 PolarHBondContact OD1-N 3.2Å; A76-G78 VanDerWaalsContact C-N 3.31Å; A76-G78 PolarHBondContact O-N 2.91Å; A76-V79 PolarHBondContact O-N 2.83Å; A76-E80 PolarHBondContact O-N 3.24Å
77F98.3Very high98.4Very high74 Ų7448.4 Ų48.433%0.32526%0.255SS..Hα-helixtrans-58.6-44171.1176.3-92.5000111.5M1 P12 D74 V79 E80 A81M1-F77 HydrophobicContact CE-CD1 4.3Å; M1-F77 HydrophobicContact CE-CE1 3.93Å; M1-F77 HydrophobicContact SD-CD1 4.17Å; M1-F77 HydrophobicContact SD-CE1 3.41Å; M1-F77 WeakPolarHBondContact SD-CE1 3.25Å; M1-F77 HydrophobicContact SD-CZ 3.91Å; P12-F77 HydrophobicContact CB-CE2 4.37Å; P12-F77 HydrophobicContact CB-CZ 3.62Å; P12-F77 HydrophobicContact CG-CE2 4.36Å; P12-F77 HydrophobicContact CG-CZ 4.04Å; D74-F77 HydrophobicContact CB-CB 3.8Å; D74-F77 PolarHBondContact O-N 2.79Å; D74-F77 PolarHBondContact OD1-N 2.94Å; F77-V79 VanDerWaalsContact C-N 3.33Å; F77-V79 PolarHBondContact O-N 3.05Å; F77-E80 PolarHBondContact O-N 3.15Å; F77-A81 HydrophobicContact CE1-CB 4.16Å; F77-A81 HydrophobicContact CZ-CB 4.35Å; F77-A81 VanDerWaalsContact O-CB 3.3Å; F77-A81 WeakPolarHBondContact O-CB 3.46Å; F77-A81 PolarHBondContact O-N 3.42Å
78G98.4Very high98.4Very high0 Ų047.9 Ų47.90%026%0.263CS..Hα-helixtrans-57.9-43.517700000112.6D74 E75 A76 I82D74-G78 PolarHBondContact O-N 2.84Å; E75-G78 PolarHBondContact O-N 2.9Å; A76-G78 VanDerWaalsContact C-N 3.31Å; A76-G78 PolarHBondContact O-N 2.91Å; G78-I82 WeakPolarHBondContact O-CG1 3.42Å; G78-I82 PolarHBondContact O-N 3.44Å; G78-I82 VanDerWaalsContact O-N 3.11Å
79V98.6Very high98.4Very high18 Ų1849.5 Ų49.511%0.10927%0.272CS..Hα-helixtrans-64.5-47175.3175.10000111.4P54 M58 E75 A76 F77 A81 I82 K83P54-V79 HydrophobicContact CB-CG1 4.32Å; P54-V79 HydrophobicContact CB-CG2 4.26Å; P54-V79 HydrophobicContact CG-CG1 4.13Å; M58-V79 HydrophobicContact CB-CG2 4.5Å; M58-V79 HydrophobicContact CG-CG2 3.77Å; E75-V79 WeakPolarHBondContact O-CG2 3.49Å; E75-V79 PolarHBondContact O-N 2.9Å; A76-V79 PolarHBondContact O-N 2.83Å; F77-V79 VanDerWaalsContact C-N 3.33Å; F77-V79 PolarHBondContact O-N 3.05Å; V79-A81 PolarHBondContact O-N 2.7Å; V79-I82 WeakPolarHBondContact O-CB 3.44Å; V79-I82 PolarHBondContact O-N 2.81Å; V79-K83 HydrophobicContact CG1-CD 4.1Å; V79-K83 WeakPolarHBondContact O-CG 3.23Å; V79-K83 PolarHBondContact O-N 2.71Å
80E98.4Very high98.4Very high93 Ų9349.9 Ų49.944%0.43527%0.265SS..Hα-helixtrans-65.7-36.3178.8-69.7-5312800112.6A76 F77 I82 K83 T84A76-E80 PolarHBondContact O-N 3.24Å; F77-E80 PolarHBondContact O-N 3.15Å; E80-I82 VanDerWaalsContact C-N 3.33Å; E80-I82 PolarHBondContact O-N 3.14Å; E80-K83 VanDerWaalsContact CD-NZ 3.26Å; E80-K83 PolarHBondContact O-N 3.24Å; E80-K83 WeakPolarHBondContact OE1-CD 3.39Å; E80-K83 IonicContact OE1-NZ 2.93Å; E80-K83 PolarHBondContact OE1-NZ 2.76Å; E80-K83 IonicContact OE2-NZ 2.7Å; E80-K83 PolarHBondContact OE2-NZ 2.6Å; E80-T84 WeakPolarHBondContact O-CB 3.3Å; E80-T84 PolarHBondContact O-N 2.76Å; E80-T84 PolarHBondContact O-OG1 3.28Å
81A98.5Very high98.3Very high23 Ų2356 Ų5619%0.1930%0.298CS..Hα-helixtrans-61.4-41.5173.300000111.7F77 V79 L85 I126F77-A81 HydrophobicContact CE1-CB 4.16Å; F77-A81 HydrophobicContact CZ-CB 4.35Å; F77-A81 VanDerWaalsContact O-CB 3.3Å; F77-A81 WeakPolarHBondContact O-CB 3.46Å; F77-A81 PolarHBondContact O-N 3.42Å; V79-A81 PolarHBondContact O-N 2.7Å; A81-L85 WeakPolarHBondContact O-CB 3.38Å; A81-L85 PolarHBondContact O-N 3.3Å; A81-I126 HydrophobicContact CB-CD1 4.02Å
82I98.7Very high98.3Very high0 Ų062.2 Ų62.20%032%0.317CS..Hα-helixtrans-63.3-49.8174.2-70.8165.9000110.6L39 L51 M58 G78 V79 E80 T84 L85 V86 I103 P105 I126L39-I82 HydrophobicContact CD1-CD1 4.09Å; L39-I82 HydrophobicContact CD2-CD1 4.18Å; L51-I82 HydrophobicContact CD1-CG2 3.96Å; L51-I82 HydrophobicContact CD2-CG2 4.46Å; M58-I82 HydrophobicContact CE-CD1 3.61Å; M58-I82 HydrophobicContact SD-CD1 3.98Å; G78-I82 WeakPolarHBondContact O-CG1 3.42Å; G78-I82 PolarHBondContact O-N 3.44Å; G78-I82 VanDerWaalsContact O-N 3.11Å; V79-I82 WeakPolarHBondContact O-CB 3.44Å; V79-I82 PolarHBondContact O-N 2.81Å; E80-I82 VanDerWaalsContact C-N 3.33Å; E80-I82 PolarHBondContact O-N 3.14Å; I82-T84 VanDerWaalsContact C-N 3.32Å; I82-T84 PolarHBondContact O-N 3.18Å; I82-L85 PolarHBondContact O-N 3.18Å; I82-V86 HydrophobicContact CG2-CG2 4.36Å; I82-V86 WeakPolarHBondContact O-CG2 3.34Å; I82-V86 PolarHBondContact O-N 2.88Å; I82-I103 HydrophobicContact CG1-CG2 4.28Å; I82-I103 HydrophobicContact CG2-CD1 3.85Å; I82-I103 HydrophobicContact CG2-CG2 4.05Å; I82-P105 HydrophobicContact CD1-CG 4.03Å; I82-I126 HydrophobicContact CG1-CD1 3.81Å; I82-I126 HydrophobicContact CG1-CG2 4.46Å
83K98.6Very high98.2Very high30 Ų3056.3 Ų56.313%0.1329%0.292CS..Hα-helixtrans-57.2-46.9179-72.5169.362.9-157.10111.3L51 V79 E80 L85 V86 E87 I322L51-K83 HydrophobicContact CD1-CG 3.86Å; V79-K83 HydrophobicContact CG1-CD 4.1Å; V79-K83 WeakPolarHBondContact O-CG 3.23Å; V79-K83 PolarHBondContact O-N 2.71Å; E80-K83 VanDerWaalsContact CD-NZ 3.26Å; E80-K83 PolarHBondContact O-N 3.24Å; E80-K83 WeakPolarHBondContact OE1-CD 3.39Å; E80-K83 IonicContact OE1-NZ 2.93Å; E80-K83 PolarHBondContact OE1-NZ 2.76Å; E80-K83 IonicContact OE2-NZ 2.7Å; E80-K83 PolarHBondContact OE2-NZ 2.6Å; K83-L85 PolarHBondContact O-N 3.35Å; K83-V86 PolarHBondContact O-N 2.93Å; K83-E87 WeakPolarHBondContact O-CB 3.35Å; K83-E87 PolarHBondContact O-N 3.01Å; K83-I322 HydrophobicContact CG-CG1 4.44Å
84T98.3Very high98.1Very high71 Ų7157.3 Ų57.344%0.43630%0.299SS..Hα-helixtrans-63.5-43.9-178.7-51.80000111.3I14 E80 I82 E87 V88I14-T84 HydrophobicContact CD1-CG2 3.65Å; E80-T84 WeakPolarHBondContact O-CB 3.3Å; E80-T84 PolarHBondContact O-N 2.76Å; E80-T84 PolarHBondContact O-OG1 3.28Å; I82-T84 VanDerWaalsContact C-N 3.32Å; I82-T84 PolarHBondContact O-N 3.18Å; T84-E87 PolarHBondContact O-N 3.26Å; T84-V88 WeakPolarHBondContact O-CG2 3.49Å; T84-V88 PolarHBondContact O-N 3.34Å; T84-V88 VanDerWaalsContact O-N 3.11Å
85L98.7Very high97.9Very high22 Ų2259.4 Ų59.412%0.11531%0.305CS..Hα-helixtrans-65.4-44177.9179.161.9000112I14 A81 I82 K83 E87 V88 D89 I126 L128I14-L85 HydrophobicContact CD1-CB 4.41Å; I14-L85 HydrophobicContact CD1-CD1 4.5Å; I14-L85 HydrophobicContact CG1-CD1 4.37Å; I14-L85 HydrophobicContact CG2-CD1 3.92Å; A81-L85 WeakPolarHBondContact O-CB 3.38Å; A81-L85 PolarHBondContact O-N 3.3Å; I82-L85 PolarHBondContact O-N 3.18Å; K83-L85 PolarHBondContact O-N 3.35Å; L85-E87 VanDerWaalsContact C-N 3.31Å; L85-E87 PolarHBondContact O-N 3.02Å; L85-V88 PolarHBondContact O-N 2.83Å; L85-D89 PolarHBondContact O-N 3.4Å; L85-D89 VanDerWaalsContact O-N 3.1Å; L85-I126 HydrophobicContact CD2-CB 3.78Å; L85-I126 HydrophobicContact CD2-CG2 3.62Å; L85-L128 HydrophobicContact CD1-CD1 4.37Å; L85-L128 HydrophobicContact CD2-CD1 4.21Å; L85-L128 HydrophobicContact CD2-CD2 4.25Å; L85-L128 HydrophobicContact CD2-CG 3.99Å; L85-L128 HydrophobicContact CG-CD1 3.76Å; L85-L128 HydrophobicContact CG-CG 4.11Å
86V98.7Very high97.6Very high0 Ų059.5 Ų59.50%031%0.314CS..Hα-helixtrans-67.1-33.6178.4175.80000111.5A41 I49 I82 K83 D89 K90 V93 L101 I103 L128 I322A41-V86 HydrophobicContact CB-CG1 3.91Å; I49-V86 HydrophobicContact CG2-CG1 4.21Å; I82-V86 HydrophobicContact CG2-CG2 4.36Å; I82-V86 WeakPolarHBondContact O-CG2 3.34Å; I82-V86 PolarHBondContact O-N 2.88Å; K83-V86 PolarHBondContact O-N 2.93Å; V86-D89 CarbonylContact O-C 3.33Å; V86-D89 PolarHBondContact O-N 3.26Å; V86-K90 WeakPolarHBondContact O-CA 3.28Å; V86-K90 WeakPolarHBondContact O-CB 3.39Å; V86-K90 PolarHBondContact O-N 2.88Å; V86-V93 HydrophobicContact CG1-CG2 4Å; V86-L101 HydrophobicContact CG1-CD2 4.26Å; V86-L101 HydrophobicContact CG2-CD2 4.46Å; V86-I103 HydrophobicContact CG2-CD1 3.87Å; V86-I103 HydrophobicContact CG2-CG1 4.07Å; V86-L128 HydrophobicContact CG2-CD1 4.42Å; V86-L128 HydrophobicContact CG2-CD2 3.83Å; V86-I322 HydrophobicContact CB-CD1 3.55Å; V86-I322 HydrophobicContact CG1-CD1 3.25Å; V86-I322 HydrophobicContact CG2-CD1 4.38Å
87E98Very high97Very high61 Ų6163.8 Ų63.829%0.28532%0.323SS..Hα-helixtrans-66.1-40.4174.7-179.954.7-154.700111.9K83 T84 L85 D89 K90 I322K83-E87 WeakPolarHBondContact O-CB 3.35Å; K83-E87 PolarHBondContact O-N 3.01Å; T84-E87 PolarHBondContact O-N 3.26Å; L85-E87 VanDerWaalsContact C-N 3.31Å; L85-E87 PolarHBondContact O-N 3.02Å; E87-D89 VanDerWaalsContact C-N 3.34Å; E87-D89 PolarHBondContact O-N 3.4Å; E87-K90 WeakPolarHBondContact O-CB 3.47Å; E87-K90 WeakPolarHBondContact O-CG 3.44Å; E87-K90 PolarHBondContact O-N 2.86Å; E87-K90 WeakPolarHBondContact OE1-CD 3.28Å; E87-K90 IonicContact OE1-NZ 3.72Å; E87-K90 PolarHBondContact OE1-NZ 2.89Å; E87-I322 HydrophobicContact CB-CG2 3.95Å
88V98.1Very high96.5Very high91 Ų9161.3 Ų61.355%0.55232%0.318SS*.Hα-helixtrans-60.3-44.5174.5170.40000111.2I14 T84 L85I14-V88 HydrophobicContact CD1-CG2 3.98Å; I14-V88 HydrophobicContact CG2-CG1 4.38Å; T84-V88 WeakPolarHBondContact O-CG2 3.49Å; T84-V88 PolarHBondContact O-N 3.34Å; T84-V88 VanDerWaalsContact O-N 3.11Å; L85-V88 PolarHBondContact O-N 2.83Å
89D98Very high96.3Very high60 Ų6062.4 Ų62.432%0.32133%0.325SS..THydrogen-bonded Turntrans-100.926.6-177.8-79.2-21.7000112.9L85 V86 E87 D91 W92 L128L85-D89 PolarHBondContact O-N 3.4Å; L85-D89 VanDerWaalsContact O-N 3.1Å; V86-D89 CarbonylContact O-C 3.33Å; V86-D89 PolarHBondContact O-N 3.26Å; E87-D89 VanDerWaalsContact C-N 3.34Å; E87-D89 PolarHBondContact O-N 3.4Å; D89-D91 PolarHBondContact O-N 2.84Å; D89-W92 WeakPolarHBondContact O-CB 3.38Å; D89-W92 PolarHBondContact O-N 3.05Å; D89-L128 HydrophobicContact CB-CD1 3.62Å
90K97.6Very high96.2Very high83 Ų8361.7 Ų61.736%0.36132%0.321SS..G310 helixtrans-60.6-24.6-170.867.3-177.8170.9-165.40114.8R43 I49 V86 E87 W92 V93R43-K90 PolarHBondContact NH2-O 2.99Å; I49-K90 HydrophobicContact CD1-CB 3.67Å; V86-K90 WeakPolarHBondContact O-CA 3.28Å; V86-K90 WeakPolarHBondContact O-CB 3.39Å; V86-K90 PolarHBondContact O-N 2.88Å; E87-K90 WeakPolarHBondContact O-CB 3.47Å; E87-K90 WeakPolarHBondContact O-CG 3.44Å; E87-K90 PolarHBondContact O-N 2.86Å; E87-K90 WeakPolarHBondContact OE1-CD 3.28Å; E87-K90 IonicContact OE1-NZ 3.72Å; E87-K90 PolarHBondContact OE1-NZ 2.89Å; K90-W92 PolarHBondContact O-N 2.78Å; K90-V93 WeakPolarHBondContact O-CB 3.4Å; K90-V93 PolarHBondContact O-N 2.91Å; K90-V93 VanDerWaalsContact O-N 3.09Å
91D96.9Very high96.1Very high136 Ų13657.3 Ų57.373%0.72730%0.3SS*.G310 helixtrans-68-21.7176.8-66.6-22.1000112D89 V93D89-D91 PolarHBondContact O-N 2.84Å; D91-V93 VanDerWaalsContact C-N 3.3Å
92W98.1Very high96.1Very high161 Ų16157.8 Ų57.861%0.6130%0.297SS*.G310 helixtrans-77.5-13.4172.2-70.398.5000113.4D89 K90 P94 L101 P130D89-W92 WeakPolarHBondContact O-CB 3.38Å; D89-W92 PolarHBondContact O-N 3.05Å; K90-W92 PolarHBondContact O-N 2.78Å; W92-P94 WeakPolarHBondContact O-CD 3.28Å; W92-L101 HydrophobicContact CB-CD1 4.09Å; W92-P130 HydrophobicContact CE3-CG 4.12Å; W92-P130 HydrophobicContact CZ3-CG 4.46Å
93V97.7Very high96.1Very high0 Ų057.8 Ų57.80%030%0.297CS..SBendtrans-69.5113172.7-1720000108.5A41 R43 I49 V86 K90 D91 L101A41-V93 HydrophobicContact CB-CG2 4.41Å; R43-V93 HydrophobicContact CB-CG1 3.91Å; R43-V93 PolarHBondContact NE-O 3.4Å; R43-V93 VanDerWaalsContact NE-O 3.1Å; R43-V93 PolarHBondContact NH2-O 3.13Å; I49-V93 HydrophobicContact CD1-CB 4.13Å; I49-V93 HydrophobicContact CD1-CG2 3.83Å; I49-V93 HydrophobicContact CG1-CB 4.42Å; I49-V93 HydrophobicContact CG1-CG1 4.35Å; I49-V93 HydrophobicContact CG1-CG2 4.36Å; I49-V93 HydrophobicContact CG2-CG1 4.45Å; I49-V93 HydrophobicContact CG2-CG2 4.25Å; V86-V93 HydrophobicContact CG1-CG2 4Å; K90-V93 WeakPolarHBondContact O-CB 3.4Å; K90-V93 PolarHBondContact O-N 2.91Å; K90-V93 VanDerWaalsContact O-N 3.09Å; D91-V93 VanDerWaalsContact C-N 3.3Å; V93-L101 HydrophobicContact CB-CB 4.41Å; V93-L101 HydrophobicContact CG1-CB 4.38Å; V93-L101 HydrophobicContact CG2-CB 3.98Å; V93-L101 HydrophobicContact CG2-CD2 3.63Å; V93-L101 HydrophobicContact CG2-CG 4.44Å
94P96.3Very high96.2Very high28 Ų2860.6 Ų60.618%0.18231%0.307CS..  trans-59.8149.1-171-29.739.9000113.8R43 W92 T99 P130R43-P94 WeakPolarHBondContact CB-O 3.32Å; W92-P94 WeakPolarHBondContact O-CD 3.28Å; P94-T99 WeakPolarHBondContact CB-OG1 3.42Å; P94-P130 HydrophobicContact CG-CB 4.11Å
95H94.1Very high96.2Very high149 Ų14957.2 Ų57.269%0.6929%0.286SS*.  trans-90.3-16.8173.6-70.2-94.9000113.4R43R43-H95 VanDerWaalsContact CD-ND1 3.33Å; R43-H95 WeakPolarHBondContact CD-ND1 3.37Å; R43-H95 PolarHBondContact NE-CE1 3.3Å
96S91.2Very high96.2Very high83 Ų8358.3 Ų58.358%0.5829%0.29SS*.SBendtrans-74.3144.3-176-58.90000111.8T99S96-T99 PolarHBondContact O-N 2.82Å; S96-T99 PolarHBondContact O-OG1 3.11Å
97E86Confident96.2Very high156 Ų15658.3 Ų58.373%0.72929%0.29SS*.THydrogen-bonded Turntrans-61.9145.3173.7-174.7169.6-162.100111.5T99 K311E97-T99 PolarHBondContact O-N 2.84Å; E97-K311 IonicContact OE1-NZ 2.71Å; E97-K311 PolarHBondContact OE1-NZ 2.84Å
98G87.4Confident96.2Very high22 Ų2256.1 Ų56.123%0.22728%0.28CS..THydrogen-bonded Turntrans72.96.2179.600000114.6
99T93.6Very high96.3Very high24 Ų2451.8 Ų51.815%0.14725%0.254CS..  trans-112.4160.517968.40000111.4P94 S96 E97 V131 W309P94-T99 WeakPolarHBondContact CB-OG1 3.42Å; S96-T99 PolarHBondContact O-N 2.82Å; S96-T99 PolarHBondContact O-OG1 3.11Å; E97-T99 PolarHBondContact O-N 2.84Å; T99-V131 WeakPolarHBondContact CA-O 3.5Å; T99-V131 WeakPolarHBondContact CB-O 3.37Å; T99-W309 PolarHBondContact O-NE1 2.79Å
100S96.7Very high96.3Very high3 Ų350.8 Ų50.82%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-155.7167.5-177.357.20000111.2K40 A41 V131K40-S100 WeakPolarHBondContact CD-OG 3.35Å; K40-S100 WeakPolarHBondContact CE-OG 3.19Å; A41-S100 WeakPolarHBondContact O-CB 3.2Å; S100-V131 PolarHBondContact N-O 2.85Å; S100-V131 WeakPolarHBondContact O-CG2 3.22Å; S100-V131 PolarHBondContact O-N 3.45Å; S100-V131 VanDerWaalsContact OG-CG2 3.22Å; S100-V131 WeakPolarHBondContact OG-CG2 3.32Å
101L97.9Very high96.3Very high0 Ų046.9 Ų46.90%023%0.231CC..EExtended strand (participates in β ladder)trans-97.3113.4167.8-173.169.1000108.7K40 A41 V86 W92 V93 L128 P130K40-L101 CarbonylContact C-O 3.6Å; K40-L101 VanDerWaalsContact CA-O 3.28Å; K40-L101 WeakPolarHBondContact CA-O 3.45Å; A41-L101 HydrophobicContact CB-CB 4.26Å; A41-L101 PolarHBondContact N-O 2.91Å; A41-L101 PolarHBondContact O-N 3.34Å; V86-L101 HydrophobicContact CG1-CD2 4.26Å; V86-L101 HydrophobicContact CG2-CD2 4.46Å; W92-L101 HydrophobicContact CB-CD1 4.09Å; V93-L101 HydrophobicContact CB-CB 4.41Å; V93-L101 HydrophobicContact CG1-CB 4.38Å; V93-L101 HydrophobicContact CG2-CB 3.98Å; V93-L101 HydrophobicContact CG2-CD2 3.63Å; V93-L101 HydrophobicContact CG2-CG 4.44Å; L101-L128 HydrophobicContact CD1-CB 4.14Å; L101-L128 HydrophobicContact CD2-CB 4.18Å; L101-L128 HydrophobicContact CD2-CD1 4.01Å; L101-L128 HydrophobicContact CD2-CD2 4.13Å; L101-L128 HydrophobicContact CD2-CG 4.33Å; L101-L128 HydrophobicContact CG-CB 4.26Å; L101-P130 HydrophobicContact CD1-CB 4.39Å
102Y98.5Very high96.3Very high34 Ų3444.2 Ų44.213%0.13322%0.221CC..EExtended strand (participates in β ladder)trans-76.8133.4174.8-170.8-90.7000110.2G38 K40 R104 L128 S129 T269G38-Y102 VanDerWaalsContact CA-OH 3.24Å; G38-Y102 WeakPolarHBondContact CA-OH 3.4Å; K40-Y102 HydrophobicContact CG-CD2 4.03Å; Y102-R104 HydrophobicContact CD1-CB 4.35Å; Y102-R104 HydrophobicContact CE1-CB 4Å; Y102-R104 PolarHBondContact OH-NH2 2.84Å; Y102-L128 CarbonylContact O-C 3.57Å; Y102-L128 WeakPolarHBondContact O-CA 3.38Å; Y102-S129 WeakPolarHBondContact CB-O 3.44Å; Y102-S129 PolarHBondContact N-O 3.4Å; Y102-S129 PolarHBondContact O-N 2.92Å; Y102-T269 HydrophobicContact CE2-CG2 4.24Å
103I98.9Very high96.2Very high0 Ų040.4 Ų40.40%021%0.211CC..EExtended strand (participates in β ladder)trans-112.8126.7-179-56155.6000107.2L39 A41 L51 I82 V86 P105 I126 L128L39-I103 HydrophobicContact CD2-CB 3.67Å; L39-I103 HydrophobicContact CD2-CG2 3.66Å; L39-I103 HydrophobicContact CG-CB 3.95Å; L39-I103 HydrophobicContact CG-CD1 4.03Å; L39-I103 HydrophobicContact CG-CG2 4.3Å; L39-I103 PolarHBondContact N-O 3.32Å; L39-I103 PolarHBondContact O-N 3.08Å; A41-I103 HydrophobicContact CB-CD1 4.04Å; L51-I103 HydrophobicContact CD2-CD1 3.62Å; I82-I103 HydrophobicContact CG1-CG2 4.28Å; I82-I103 HydrophobicContact CG2-CD1 3.85Å; I82-I103 HydrophobicContact CG2-CG2 4.05Å; V86-I103 HydrophobicContact CG2-CD1 3.87Å; V86-I103 HydrophobicContact CG2-CG1 4.07Å; I103-P105 HydrophobicContact CG2-CG 4.34Å; I103-P105 WeakPolarHBondContact O-CD 3.27Å; I103-I126 HydrophobicContact CG2-CG2 3.69Å; I103-L128 HydrophobicContact CB-CD2 4.2Å; I103-L128 HydrophobicContact CG1-CD2 3.69Å; I103-L128 HydrophobicContact CG2-CD2 4.09Å
104R98.8Very high96Very high88 Ų8845.2 Ų45.233%0.33224%0.24SC..EExtended strand (participates in β ladder)trans-122.388.2-178.3176.465.559.867.78.6109.8E37 Y102 F106 I126 I127E37-R104 VanDerWaalsContact O-CD 3.27Å; E37-R104 WeakPolarHBondContact O-CD 3.16Å; E37-R104 PolarHBondContact O-NE 3.02Å; Y102-R104 HydrophobicContact CD1-CB 4.35Å; Y102-R104 HydrophobicContact CE1-CB 4Å; Y102-R104 PolarHBondContact OH-NH2 2.84Å; R104-F106 HydrophobicContact CG-CD1 4.14Å; R104-F106 WeakPolarHBondContact O-CD1 3.49Å; R104-I126 WeakPolarHBondContact O-CA 3.22Å; R104-I127 HydrophobicContact CB-CD1 4.34Å; R104-I127 HydrophobicContact CB-CG1 3.67Å; R104-I127 HydrophobicContact CG-CD1 4.27Å; R104-I127 HydrophobicContact CG-CG1 4.02Å; R104-I127 PolarHBondContact N-O 2.7Å; R104-I127 PolarHBondContact O-N 3.38Å
105P98.9Very high96Very high0 Ų045.2 Ų45.20%025%0.245CC..EExtended strand (participates in β ladder)trans-70.5143.7162.7-11.128.5000109.5F36 E37 L39 M58 I82 I103 F124 V125 I126F36-P105 CarbonylContact C-O 3.59Å; F36-P105 VanDerWaalsContact CA-O 3.29Å; F36-P105 WeakPolarHBondContact CA-O 3.46Å; F36-P105 WeakPolarHBondContact CB-O 3.38Å; E37-P105 HydrophobicContact CB-CB 4.07Å; E37-P105 HydrophobicContact CB-CG 3.85Å; E37-P105 PolarHBondContact N-O 3.2Å; L39-P105 HydrophobicContact CD2-CG 3.8Å; M58-P105 HydrophobicContact CE-CB 4.35Å; M58-P105 HydrophobicContact CE-CG 3.98Å; I82-P105 HydrophobicContact CD1-CG 4.03Å; I103-P105 HydrophobicContact CG2-CG 4.34Å; I103-P105 WeakPolarHBondContact O-CD 3.27Å; P105-F124 HydrophobicContact CB-CE2 3.68Å; P105-F124 HydrophobicContact CB-CZ 4.11Å; P105-V125 CarbonylContact C-O 3.56Å; P105-V125 VanDerWaalsContact CA-O 3.3Å; P105-V125 WeakPolarHBondContact CA-O 3.41Å; P105-I126 HydrophobicContact CB-CG1 4.14Å
106F98.9Very high96.1Very high45 Ų4543.8 Ų43.820%0.19725%0.247CC..EExtended strand (participates in β ladder)trans-158.6147.8175.361.5-76.6000112.3D35 F36 R104 F108 F124 V125 I127D35-F106 WeakPolarHBondContact O-CA 3.36Å; D35-F106 VanDerWaalsContact O-CB 3.23Å; D35-F106 WeakPolarHBondContact O-CB 3.37Å; F36-F106 HydrophobicContact CB-CB 3.75Å; R104-F106 HydrophobicContact CG-CD1 4.14Å; R104-F106 WeakPolarHBondContact O-CD1 3.49Å; F106-F108 AromaticContact CD2-CD1 3.59Å; F106-F108 HydrophobicContact CD2-CD1 3.59Å; F106-F108 AromaticContact CD2-CE1 3.8Å; F106-F108 HydrophobicContact CD2-CE1 3.8Å; F106-F108 AromaticContact CE2-CD1 3.7Å; F106-F108 HydrophobicContact CE2-CD1 3.7Å; F106-F108 AromaticContact CE2-CE1 3.41Å; F106-F108 HydrophobicContact CE2-CE1 3.41Å; F106-F108 VanDerWaalsContact CE2-CE1 3.41Å; F106-F108 HydrophobicContact CE2-CZ 4.44Å; F106-F108 HydrophobicContact CZ-CE1 4.44Å; F106-F124 WeakPolarHBondContact O-CD2 3.44Å; F106-V125 HydrophobicContact CD1-CB 4.11Å; F106-V125 HydrophobicContact CD1-CG1 4.45Å; F106-V125 WeakPolarHBondContact CD1-O 3.43Å; F106-V125 HydrophobicContact CD2-CB 4.39Å; F106-V125 HydrophobicContact CE1-CB 3.6Å; F106-V125 HydrophobicContact CE1-CG1 3.53Å; F106-V125 HydrophobicContact CE2-CB 3.92Å; F106-V125 HydrophobicContact CE2-CG1 4.33Å; F106-V125 HydrophobicContact CE2-CG2 4.33Å; F106-V125 HydrophobicContact CG-CB 4.48Å; F106-V125 HydrophobicContact CZ-CB 3.49Å; F106-V125 VanDerWaalsContact CZ-CB 3.49Å; F106-V125 HydrophobicContact CZ-CG1 3.46Å; F106-V125 VanDerWaalsContact CZ-CG1 3.46Å; F106-V125 HydrophobicContact CZ-CG2 4.23Å; F106-V125 PolarHBondContact N-O 2.99Å; F106-V125 PolarHBondContact O-N 3.26Å; F106-I127 HydrophobicContact CE1-CD1 4.4Å; F106-I127 HydrophobicContact CE1-CG1 4.22Å; F106-I127 HydrophobicContact CE1-CG2 4.07Å
107I98.9Very high96.3Very high0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-122.3138.4177-58.1169.6000109.2W9 A34 D35 L61 N65 I70 I73 L122 L123 F124W9-I107 HydrophobicContact CH2-CD1 4.06Å; W9-I107 HydrophobicContact CH2-CG1 4.27Å; W9-I107 HydrophobicContact CH2-CG2 3.79Å; W9-I107 HydrophobicContact CZ2-CD1 4.11Å; W9-I107 HydrophobicContact CZ2-CG2 4.46Å; A34-I107 CarbonylContact C-O 3.55Å; A34-I107 WeakPolarHBondContact CA-O 3.24Å; A34-I107 WeakPolarHBondContact CB-O 3.36Å; D35-I107 PolarHBondContact N-O 2.76Å; D35-I107 PolarHBondContact O-N 3.32Å; D35-I107 VanDerWaalsContact O-N 3.11Å; D35-I107 WeakPolarHBondContact OD1-CB 3.5Å; D35-I107 PolarHBondContact OD1-N 3.3Å; L61-I107 HydrophobicContact CD1-CD1 4.43Å; L61-I107 HydrophobicContact CD2-CD1 4.05Å; L61-I107 HydrophobicContact CG-CD1 4.28Å; N65-I107 WeakPolarHBondContact OD1-CD1 3.35Å; I70-I107 HydrophobicContact CD1-CB 4.41Å; I70-I107 HydrophobicContact CD1-CG2 4.1Å; I70-I107 HydrophobicContact CG2-CD1 4.23Å; I70-I107 HydrophobicContact CG2-CG2 3.77Å; I73-I107 HydrophobicContact CG2-CD1 4.03Å; I107-L122 HydrophobicContact CG2-CB 4.2Å; I107-L122 HydrophobicContact CG2-CD2 3.9Å; I107-L123 VanDerWaalsContact CA-O 3.27Å; I107-L123 WeakPolarHBondContact CA-O 3.41Å; I107-F124 HydrophobicContact CD1-CB 4.47Å; I107-F124 HydrophobicContact CD1-CD2 4.14Å; I107-F124 HydrophobicContact CD1-CG 4.5Å; I107-F124 HydrophobicContact CG1-CB 3.92Å; I107-F124 HydrophobicContact CG1-CD2 3.55Å; I107-F124 HydrophobicContact CG1-CE2 4.44Å; I107-F124 HydrophobicContact CG1-CG 4.09Å
108F98.7Very high96.8Very high16 Ų1638.5 Ų38.57%0.0722%0.219CC..EExtended strand (participates in β ladder)trans-149.3148176.661.3-80.1000112.5I20 L22 C28 A34 F106 I110 L122 L123 V125I20-F108 HydrophobicContact CD1-CZ 4.18Å; I20-F108 HydrophobicContact CG2-CZ 4.45Å; L22-F108 HydrophobicContact CD1-CE2 4.16Å; L22-F108 HydrophobicContact CD2-CE2 3.89Å; C28-F108 HydrophobicContact CB-CB 4.02Å; C28-F108 HydrophobicContact CB-CD2 4.25Å; A34-F108 HydrophobicContact CB-CB 3.72Å; F106-F108 AromaticContact CD2-CD1 3.59Å; F106-F108 HydrophobicContact CD2-CD1 3.59Å; F106-F108 AromaticContact CD2-CE1 3.8Å; F106-F108 HydrophobicContact CD2-CE1 3.8Å; F106-F108 AromaticContact CE2-CD1 3.7Å; F106-F108 HydrophobicContact CE2-CD1 3.7Å; F106-F108 AromaticContact CE2-CE1 3.41Å; F106-F108 HydrophobicContact CE2-CE1 3.41Å; F106-F108 VanDerWaalsContact CE2-CE1 3.41Å; F106-F108 HydrophobicContact CE2-CZ 4.44Å; F106-F108 HydrophobicContact CZ-CE1 4.44Å; F108-I110 HydrophobicContact CD2-CG2 3.65Å; F108-I110 HydrophobicContact CE2-CG2 3.44Å; F108-I110 VanDerWaalsContact CE2-CG2 3.44Å; F108-I110 HydrophobicContact CZ-CG2 4.4Å; F108-L122 WeakPolarHBondContact O-CA 3.38Å; F108-L123 HydrophobicContact CD1-CB 4.48Å; F108-L123 HydrophobicContact CE1-CB 3.92Å; F108-L123 HydrophobicContact CE2-CB 4.41Å; F108-L123 HydrophobicContact CE2-CD1 4.15Å; F108-L123 HydrophobicContact CZ-CB 3.89Å; F108-L123 HydrophobicContact CZ-CD1 3.78Å; F108-L123 HydrophobicContact CZ-CG 4.43Å; F108-L123 PolarHBondContact N-O 3.29Å; F108-L123 PolarHBondContact O-N 2.84Å; F108-L123 VanDerWaalsContact O-N 3.08Å; F108-V125 HydrophobicContact CE1-CG2 3.86Å; F108-V125 HydrophobicContact CZ-CG2 4.5Å
109A98.5Very high97.3Very high0 Ų037.9 Ų37.90%021%0.212CC..EExtended strand (participates in β ladder)trans-70.4134.117700000112.6M27 C28 Q33 A119M27-A109 HydrophobicContact CB-CB 3.94Å; C28-A109 WeakPolarHBondContact CB-O 3.42Å; C28-A109 PolarHBondContact N-O 2.77Å; C28-A109 PolarHBondContact SG-O 2.64Å; Q33-A109 HydrophobicContact CB-CB 3.97Å; Q33-A109 HydrophobicContact CG-CB 4.37Å; Q33-A109 PolarHBondContact O-N 3.41Å; A109-A119 HydrophobicContact CB-CB 3.34Å
110I98.3Very high97.6Very high38 Ų3840.6 Ų40.620%0.19522%0.222CC..  trans-123.89.7-178.960.7156.2000114.3L22 F108 H121 L123L22-I110 HydrophobicContact CD2-CB 4.48Å; L22-I110 HydrophobicContact CD2-CG2 3.76Å; F108-I110 HydrophobicContact CD2-CG2 3.65Å; F108-I110 HydrophobicContact CE2-CG2 3.44Å; F108-I110 VanDerWaalsContact CE2-CG2 3.44Å; F108-I110 HydrophobicContact CZ-CG2 4.4Å; I110-H121 HydrophobicContact CD1-CB 4.25Å; I110-H121 HydrophobicContact CG1-CB 3.88Å; I110-H121 VanDerWaalsContact CG1-O 3.27Å; I110-H121 WeakPolarHBondContact CG1-O 3.2Å; I110-H121 PolarHBondContact N-O 3.18Å; I110-L123 HydrophobicContact CD1-CD1 4.24Å; I110-L123 HydrophobicContact CD1-CD2 4.3Å; I110-L123 HydrophobicContact CD1-CG 3.86Å; I110-L123 HydrophobicContact CG1-CG 4.41Å; I110-L123 HydrophobicContact CG2-CD1 3.93Å; I110-L123 HydrophobicContact CG2-CG 4.02Å
111D98.1Very high97.6Very high2 Ų244.1 Ų44.11%0.01124%0.238CC..  trans-54.8127.7175.3-78.86.5000111.3A26 M27 M113 H117 A119 K120 H121A26-D111 CarbonylContact C-O 3.55Å; A26-D111 VanDerWaalsContact CA-O 3.28Å; A26-D111 WeakPolarHBondContact CA-O 3.29Å; M27-D111 HydrophobicContact CB-CB 4.47Å; M27-D111 HydrophobicContact CG-CB 3.82Å; M27-D111 PolarHBondContact N-O 2.92Å; M27-D111 HydrophobicContact SD-CB 3.52Å; M27-D111 VanDerWaalsContact SD-CB 3.52Å; D111-M113 PolarHBondContact O-N 3.1Å; D111-H117 IonicContact OD2-CE1 2.64Å; D111-H117 PolarHBondContact OD2-CE1 3.16Å; D111-H117 VanDerWaalsContact OD2-CE1 3.29Å; D111-A119 WeakPolarHBondContact OD2-CA 3.42Å; D111-K120 PolarHBondContact OD1-N 2.83Å; D111-K120 PolarHBondContact OD2-N 3.09Å; D111-H121 WeakPolarHBondContact OD1-CA 3.32Å; D111-H121 VanDerWaalsContact OD1-CB 3.27Å; D111-H121 WeakPolarHBondContact OD1-CB 3.13Å; D111-H121 IonicContact OD1-CE1 3.59Å; D111-H121 IonicContact OD1-CG 3.41Å; D111-H121 PolarHBondContact OD1-N 3.38Å; D111-H121 IonicContact OD1-ND1 3.18Å; D111-H121 PolarHBondContact OD1-ND1 3.45Å
112P97.4Very high97.7Very high80 Ų8044.1 Ų44.152%0.51924%0.238SC..BIsolated β-bridgetrans-84.761.7-177.135.3-36.7000111.1D23D23-P112 HydrophobicContact CB-CB 3.76Å
113M95.3Very high97.7Very high80 Ų8043.6 Ų43.639%0.39424%0.237SC..  trans-152157.1178.477.816192.500114.8A25 M27 D111 H117A25-M113 CarbonylContact O-C 3.56Å; A25-M113 PolarHBondContact O-N 3.47Å; A25-M113 VanDerWaalsContact O-N 3.14Å; A25-M113 VanDerWaalsContact O-O 3.11Å; M27-M113 WeakPolarHBondContact CG-O 3.45Å; M27-M113 HydrophobicContact SD-CG 4.36Å; D111-M113 PolarHBondContact O-N 3.1Å; M113-H117 VanDerWaalsContact CE-NE2 3.26Å; M113-H117 WeakPolarHBondContact CE-NE2 3.33Å; M113-H117 PolarHBondContact SD-NE2 2.83Å
114V94.9Very high97.7Very high101 Ų10143.9 Ų43.961%0.61224%0.238SC*.  trans-98.621.1177.3-60.50000112.9A25 Y31A25-V114 HydrophobicContact CB-CG1 4.43Å; Y31-V114 VanDerWaalsContact OH-C 3.22Å; Y31-V114 WeakPolarHBondContact OH-CA 3.46Å; Y31-V114 PolarHBondContact OH-O 3.06Å
115G95.3Very high97.7Very high28 Ų2841.1 Ų41.129%0.28923%0.231SC..  trans-87.6133.6171.700000110.5H117G115-H117 PolarHBondContact O-CD2 3.38Å; G115-H117 PolarHBondContact O-N 2.66Å
116V96.4Very high97.7Very high120 Ų12042.5 Ų42.573%0.72724%0.238SC*.  trans-82.5106.4176-175.20000109.8Y31Y31-V116 HydrophobicContact CD1-CG2 3.87Å; Y31-V116 HydrophobicContact CD2-CG2 4.25Å; Y31-V116 HydrophobicContact CE1-CG2 3.59Å; Y31-V116 HydrophobicContact CE2-CG2 3.97Å; Y31-V116 HydrophobicContact CG-CG2 4.21Å
117H95.4Very high97.7Very high53 Ų5342.8 Ų42.825%0.24524%0.241CC..SBendtrans-156.1169.617261.384.9000110.3M27 D111 M113 G115 A119M27-H117 WeakPolarHBondContact CE-O 3.36Å; D111-H117 IonicContact OD2-CE1 2.64Å; D111-H117 PolarHBondContact OD2-CE1 3.16Å; D111-H117 VanDerWaalsContact OD2-CE1 3.29Å; M113-H117 VanDerWaalsContact CE-NE2 3.26Å; M113-H117 WeakPolarHBondContact CE-NE2 3.33Å; M113-H117 PolarHBondContact SD-NE2 2.83Å; G115-H117 PolarHBondContact O-CD2 3.38Å; G115-H117 PolarHBondContact O-N 2.66Å; H117-A119 PolarHBondContact O-N 3.42Å
118P97.3Very high97.7Very high75 Ų7544.2 Ų44.249%0.48725%0.249SC..  trans-62.4130.3167-24.836.4000111.3C69C69-P118 HydrophobicContact CB-CB 3.73Å; C69-P118 HydrophobicContact CB-CG 3.87Å
119A97.8Very high97.7Very high9 Ų946.3 Ų46.37%0.07427%0.265CS..  trans-62.3147.3-177.700000113.4M27 A109 D111 H117 L122M27-A119 HydrophobicContact SD-CB 4.36Å; A109-A119 HydrophobicContact CB-CB 3.34Å; D111-A119 WeakPolarHBondContact OD2-CA 3.42Å; H117-A119 PolarHBondContact O-N 3.42Å; A119-L122 HydrophobicContact CB-CG 4.3Å
120K98.1Very high97.6Very high81 Ų8149.4 Ų49.435%0.35229%0.285SS..SBendtrans-99.1-22.9178.6-64.3178.1172.7-127.20112.7D4 E5 D111D4-K120 CarbonylContact C-O 3.43Å; E5-K120 HydrophobicContact CB-CB 3.92Å; E5-K120 HydrophobicContact CB-CG 4.3Å; E5-K120 PolarHBondContact N-O 2.52Å; E5-K120 IonicContact OE1-NZ 2.76Å; E5-K120 VanDerWaalsContact OE2-CD 3.3Å; E5-K120 WeakPolarHBondContact OE2-CD 3.49Å; E5-K120 WeakPolarHBondContact OE2-CE 3.35Å; E5-K120 IonicContact OE2-NZ 3.54Å; E5-K120 PolarHBondContact OE2-NZ 3.23Å; D111-K120 PolarHBondContact OD1-N 2.83Å; D111-K120 PolarHBondContact OD2-N 3.09Å
121H98.5Very high97.4Very high77 Ų7749.7 Ų49.736%0.35629%0.289SS..EExtended strand (participates in β ladder)trans-123.7125.5177.4-44.478000108.7Y3 D4 I110 D111Y3-H121 CarbonylContact O-C 3.59Å; Y3-H121 VanDerWaalsContact O-CA 3.23Å; Y3-H121 WeakPolarHBondContact O-CA 3.34Å; D4-H121 IonicContact OD1-CD2 3.08Å; D4-H121 PolarHBondContact OD1-CD2 3.11Å; D4-H121 IonicContact OD1-CG 3.02Å; I110-H121 HydrophobicContact CD1-CB 4.25Å; I110-H121 HydrophobicContact CG1-CB 3.88Å; I110-H121 VanDerWaalsContact CG1-O 3.27Å; I110-H121 WeakPolarHBondContact CG1-O 3.2Å; I110-H121 PolarHBondContact N-O 3.18Å; D111-H121 WeakPolarHBondContact OD1-CA 3.32Å; D111-H121 VanDerWaalsContact OD1-CB 3.27Å; D111-H121 WeakPolarHBondContact OD1-CB 3.13Å; D111-H121 IonicContact OD1-CE1 3.59Å; D111-H121 IonicContact OD1-CG 3.41Å; D111-H121 PolarHBondContact OD1-N 3.38Å; D111-H121 IonicContact OD1-ND1 3.18Å; D111-H121 PolarHBondContact OD1-ND1 3.45Å
122L98.7Very high97Very high0 Ų051.8 Ų51.80%031%0.311CS..EExtended strand (participates in β ladder)trans-134160.8-179.7-54.997.9000111.7Y3 W9 I70 P71 I107 F108 A119Y3-L122 HydrophobicContact CD1-CD1 3.41Å; Y3-L122 VanDerWaalsContact CD1-CD1 3.41Å; Y3-L122 HydrophobicContact CE1-CD1 4.07Å; Y3-L122 HydrophobicContact CG-CD1 3.98Å; Y3-L122 PolarHBondContact N-O 3.28Å; Y3-L122 PolarHBondContact O-N 2.86Å; W9-L122 HydrophobicContact CH2-CB 4.26Å; I70-L122 HydrophobicContact CB-CD2 4.32Å; I70-L122 HydrophobicContact CD1-CD2 4.33Å; I70-L122 HydrophobicContact CG1-CD2 3.79Å; I70-L122 HydrophobicContact CG2-CD2 4Å; P71-L122 HydrophobicContact CG-CD1 4.4Å; I107-L122 HydrophobicContact CG2-CB 4.2Å; I107-L122 HydrophobicContact CG2-CD2 3.9Å; F108-L122 WeakPolarHBondContact O-CA 3.38Å; A119-L122 HydrophobicContact CB-CG 4.3Å
123L98.6Very high96.1Very high22 Ų2251 Ų5112%0.11531%0.312CS..EExtended strand (participates in β ladder)trans-120.1128.4170-69.5176.9000110.3I20 I107 F108 I110 V125I20-L123 HydrophobicContact CG2-CD1 4.27Å; I107-L123 VanDerWaalsContact CA-O 3.27Å; I107-L123 WeakPolarHBondContact CA-O 3.41Å; F108-L123 HydrophobicContact CD1-CB 4.48Å; F108-L123 HydrophobicContact CE1-CB 3.92Å; F108-L123 HydrophobicContact CE2-CB 4.41Å; F108-L123 HydrophobicContact CE2-CD1 4.15Å; F108-L123 HydrophobicContact CZ-CB 3.89Å; F108-L123 HydrophobicContact CZ-CD1 3.78Å; F108-L123 HydrophobicContact CZ-CG 4.43Å; F108-L123 PolarHBondContact N-O 3.29Å; F108-L123 PolarHBondContact O-N 2.84Å; F108-L123 VanDerWaalsContact O-N 3.08Å; I110-L123 HydrophobicContact CD1-CD1 4.24Å; I110-L123 HydrophobicContact CD1-CD2 4.3Å; I110-L123 HydrophobicContact CD1-CG 3.86Å; I110-L123 HydrophobicContact CG1-CG 4.41Å; I110-L123 HydrophobicContact CG2-CD1 3.93Å; I110-L123 HydrophobicContact CG2-CG 4.02Å; L123-V125 HydrophobicContact CB-CG2 4.13Å
124F98.8Very high94.7Very high6 Ų653.1 Ų53.13%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-97.9121.2162.7174.5-136.5000109.3M1 W9 L61 I73 P105 F106 I107 I126M1-F124 HydrophobicContact CB-CB 4.3Å; M1-F124 HydrophobicContact CB-CD1 4.37Å; M1-F124 HydrophobicContact CE-CB 4.33Å; M1-F124 HydrophobicContact CE-CD1 3.65Å; M1-F124 HydrophobicContact CE-CE1 4.5Å; M1-F124 HydrophobicContact CE-CG 4.43Å; M1-F124 PolarHBondContact N-O 3.02Å; M1-F124 PolarHBondContact O-N 3.26Å; W9-F124 HydrophobicContact CE3-CB 4.17Å; W9-F124 HydrophobicContact CH2-CB 3.91Å; W9-F124 HydrophobicContact CZ3-CB 3.47Å; W9-F124 VanDerWaalsContact CZ3-CB 3.47Å; L61-F124 HydrophobicContact CD2-CE2 4Å; L61-F124 HydrophobicContact CD2-CZ 4.46Å; I73-F124 HydrophobicContact CD1-CE1 4.12Å; I73-F124 HydrophobicContact CD1-CZ 4.1Å; P105-F124 HydrophobicContact CB-CE2 3.68Å; P105-F124 HydrophobicContact CB-CZ 4.11Å; F106-F124 WeakPolarHBondContact O-CD2 3.44Å; I107-F124 HydrophobicContact CD1-CB 4.47Å; I107-F124 HydrophobicContact CD1-CD2 4.14Å; I107-F124 HydrophobicContact CD1-CG 4.5Å; I107-F124 HydrophobicContact CG1-CB 3.92Å; I107-F124 HydrophobicContact CG1-CD2 3.55Å; I107-F124 HydrophobicContact CG1-CE2 4.44Å; I107-F124 HydrophobicContact CG1-CG 4.09Å; F124-I126 HydrophobicContact CE1-CD1 4.15Å; F124-I126 HydrophobicContact CE1-CG1 4.35Å; F124-I126 HydrophobicContact CE2-CG1 4.1Å; F124-I126 HydrophobicContact CZ-CD1 3.89Å; F124-I126 HydrophobicContact CZ-CG1 3.79Å
125V98.8Very high93.1Very high31 Ų3150.8 Ų50.819%0.18830%0.297CS..EExtended strand (participates in β ladder)trans-128.8144.5-174.6-175.60000109.5I20 P105 F106 F108 L123 I127I20-V125 HydrophobicContact CD1-CG1 4.5Å; I20-V125 HydrophobicContact CD1-CG2 4.27Å; P105-V125 CarbonylContact C-O 3.56Å; P105-V125 VanDerWaalsContact CA-O 3.3Å; P105-V125 WeakPolarHBondContact CA-O 3.41Å; F106-V125 HydrophobicContact CD1-CB 4.11Å; F106-V125 HydrophobicContact CD1-CG1 4.45Å; F106-V125 WeakPolarHBondContact CD1-O 3.43Å; F106-V125 HydrophobicContact CD2-CB 4.39Å; F106-V125 HydrophobicContact CE1-CB 3.6Å; F106-V125 HydrophobicContact CE1-CG1 3.53Å; F106-V125 HydrophobicContact CE2-CB 3.92Å; F106-V125 HydrophobicContact CE2-CG1 4.33Å; F106-V125 HydrophobicContact CE2-CG2 4.33Å; F106-V125 HydrophobicContact CG-CB 4.48Å; F106-V125 HydrophobicContact CZ-CB 3.49Å; F106-V125 VanDerWaalsContact CZ-CB 3.49Å; F106-V125 HydrophobicContact CZ-CG1 3.46Å; F106-V125 VanDerWaalsContact CZ-CG1 3.46Å; F106-V125 HydrophobicContact CZ-CG2 4.23Å; F106-V125 PolarHBondContact N-O 2.99Å; F106-V125 PolarHBondContact O-N 3.26Å; F108-V125 HydrophobicContact CE1-CG2 3.86Å; F108-V125 HydrophobicContact CZ-CG2 4.5Å; L123-V125 HydrophobicContact CB-CG2 4.13Å; V125-I127 HydrophobicContact CG1-CG2 4.2Å
126I98.9Very high91.2Very high28 Ų2857.6 Ų57.614%0.14433%0.326CS..EExtended strand (participates in β ladder)trans-125.2127.2172-53.9164.1000107.1A81 I82 L85 I103 R104 P105 F124A81-I126 HydrophobicContact CB-CD1 4.02Å; I82-I126 HydrophobicContact CG1-CD1 3.81Å; I82-I126 HydrophobicContact CG1-CG2 4.46Å; L85-I126 HydrophobicContact CD2-CB 3.78Å; L85-I126 HydrophobicContact CD2-CG2 3.62Å; I103-I126 HydrophobicContact CG2-CG2 3.69Å; R104-I126 WeakPolarHBondContact O-CA 3.22Å; P105-I126 HydrophobicContact CB-CG1 4.14Å; F124-I126 HydrophobicContact CE1-CD1 4.15Å; F124-I126 HydrophobicContact CE1-CG1 4.35Å; F124-I126 HydrophobicContact CE2-CG1 4.1Å; F124-I126 HydrophobicContact CZ-CD1 3.89Å; F124-I126 HydrophobicContact CZ-CG1 3.79Å
127I98.8Very high89.1Confident51 Ų5158.7 Ų58.726%0.26233%0.328SS..EExtended strand (participates in β ladder)trans-119.6156.217164.9176.1000110.7Y17 R104 F106 V125Y17-I127 HydrophobicContact CD2-CG2 4.38Å; Y17-I127 HydrophobicContact CE2-CB 4.33Å; Y17-I127 HydrophobicContact CE2-CG2 3.96Å; R104-I127 HydrophobicContact CB-CD1 4.34Å; R104-I127 HydrophobicContact CB-CG1 3.67Å; R104-I127 HydrophobicContact CG-CD1 4.27Å; R104-I127 HydrophobicContact CG-CG1 4.02Å; R104-I127 PolarHBondContact N-O 2.7Å; R104-I127 PolarHBondContact O-N 3.38Å; F106-I127 HydrophobicContact CE1-CD1 4.4Å; F106-I127 HydrophobicContact CE1-CG1 4.22Å; F106-I127 HydrophobicContact CE1-CG2 4.07Å; V125-I127 HydrophobicContact CG1-CG2 4.2Å
128L98.8Very high87.9Confident31 Ų3158.1 Ų58.116%0.16234%0.336CS..EExtended strand (participates in β ladder)trans-116.5143.8-179.7-56.9177.2000109.9L85 V86 D89 L101 Y102 I103L85-L128 HydrophobicContact CD1-CD1 4.37Å; L85-L128 HydrophobicContact CD2-CD1 4.21Å; L85-L128 HydrophobicContact CD2-CD2 4.25Å; L85-L128 HydrophobicContact CD2-CG 3.99Å; L85-L128 HydrophobicContact CG-CD1 3.76Å; L85-L128 HydrophobicContact CG-CG 4.11Å; V86-L128 HydrophobicContact CG2-CD1 4.42Å; V86-L128 HydrophobicContact CG2-CD2 3.83Å; D89-L128 HydrophobicContact CB-CD1 3.62Å; L101-L128 HydrophobicContact CD1-CB 4.14Å; L101-L128 HydrophobicContact CD2-CB 4.18Å; L101-L128 HydrophobicContact CD2-CD1 4.01Å; L101-L128 HydrophobicContact CD2-CD2 4.13Å; L101-L128 HydrophobicContact CD2-CG 4.33Å; L101-L128 HydrophobicContact CG-CB 4.26Å; Y102-L128 CarbonylContact O-C 3.57Å; Y102-L128 WeakPolarHBondContact O-CA 3.38Å; I103-L128 HydrophobicContact CB-CD2 4.2Å; I103-L128 HydrophobicContact CG1-CD2 3.69Å; I103-L128 HydrophobicContact CG2-CD2 4.09Å
129S98.3Very high87.3Confident59 Ų5956.1 Ų56.141%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-149119.8177.8-178.50000110.7Y102 V131Y102-S129 WeakPolarHBondContact CB-O 3.44Å; Y102-S129 PolarHBondContact N-O 3.4Å; Y102-S129 PolarHBondContact O-N 2.92Å; S129-V131 PolarHBondContact O-N 3.43Å
130P97.4Very high86.9Confident65 Ų6557.5 Ų57.542%0.42233%0.333SS..EExtended strand (participates in β ladder)trans-66.6133.2175.627.8-33.9000109.6W92 P94 L101W92-P130 HydrophobicContact CE3-CG 4.12Å; W92-P130 HydrophobicContact CZ3-CG 4.46Å; P94-P130 HydrophobicContact CG-CB 4.11Å; L101-P130 HydrophobicContact CD1-CB 4.39Å
131V95.1Very high86.7Confident44 Ų4455.6 Ų55.627%0.26733%0.329SS..EExtended strand (participates in β ladder)trans-128.3139-178.7-630000111.3T99 S100 S129T99-V131 WeakPolarHBondContact CA-O 3.5Å; T99-V131 WeakPolarHBondContact CB-O 3.37Å; S100-V131 PolarHBondContact N-O 2.85Å; S100-V131 WeakPolarHBondContact O-CG2 3.22Å; S100-V131 PolarHBondContact O-N 3.45Å; S100-V131 VanDerWaalsContact OG-CG2 3.22Å; S100-V131 WeakPolarHBondContact OG-CG2 3.32Å; S129-V131 PolarHBondContact O-N 3.43Å
132G89.1Confident86.5Confident46 Ų4652.6 Ų52.647%0.47432%0.316SS..  trans-81.5-168.3173.700000113.3
133A78.1Confident86.4Confident65 Ų6557.5 Ų57.554%0.53734%0.337SS..  trans-61.4140.3166.300000109.9Y135A133-Y135 PolarHBondContact O-N 3.42Å
134Y66.9Low86.4Confident123 Ų12356.5 Ų56.548%0.48233%0.332SS..SBendtrans-69.8-31.5-171.5-168.7-95.9000113.6A270 A271Y134-A270 HydrophobicContact CD2-CB 3.78Å; Y134-A270 HydrophobicContact CE2-CB 3.61Å; Y134-A271 HydrophobicContact CD1-CB 3.81Å; Y134-A271 HydrophobicContact CE1-CB 4.29Å; Y134-A271 HydrophobicContact CG-CB 3.94Å
135Y60.6Low86.4Confident53 Ų5357.8 Ų57.821%0.20834%0.337CS..SBendtrans-122.2126.8178-67.6-60.5000108.8A133 N137 G138 V142 S274A133-Y135 PolarHBondContact O-N 3.42Å; Y135-N137 PolarHBondContact O-N 2.98Å; Y135-N137 VanDerWaalsContact O-N 3.08Å; Y135-G138 WeakPolarHBondContact CB-O 3.04Å; Y135-G138 PolarHBondContact O-N 2.83Å; Y135-V142 HydrophobicContact CE1-CG1 3.9Å; Y135-V142 WeakPolarHBondContact OH-CG1 3.3Å; Y135-S274 PolarHBondContact OH-OG 3.26Å
136D54.1Low86.4Confident170 Ų17056.3 Ų56.391%0.90933%0.328SS*.THydrogen-bonded Turntrans-57-26.3178.4-66.4-27.3000112.5
137N54.1Low86.3Confident143 Ų14355.1 Ų55.177%0.76532%0.322SS*.THydrogen-bonded Turntrans-97.515.4178.1-65.1-29.7000113.8Y135 A140Y135-N137 PolarHBondContact O-N 2.98Å; Y135-N137 VanDerWaalsContact O-N 3.08Å; N137-A140 HydrophobicContact CB-CB 3.94Å
138G69.4Low86.1Confident41 Ų4156.4 Ų56.442%0.42333%0.327SS..SBendtrans70.5-141.2-177.100000112.7Y135 A140Y135-G138 WeakPolarHBondContact CB-O 3.04Å; Y135-G138 PolarHBondContact O-N 2.83Å; G138-A140 PolarHBondContact O-N 2.69Å
139L84.5Confident85.9Confident34 Ų3461.8 Ų61.818%0.17835%0.351CS..SBendtrans-76.737.5-177.2-67.6166000113.9P141 P275 I293 Y301L139-P141 WeakPolarHBondContact O-CD 3.37Å; L139-P275 HydrophobicContact CB-CG 4.46Å; L139-I293 HydrophobicContact CB-CD1 3.92Å; L139-I293 HydrophobicContact CD1-CD1 3.84Å; L139-I293 HydrophobicContact CG-CD1 4.32Å; L139-Y301 HydrophobicContact CD1-CD1 3.55Å; L139-Y301 HydrophobicContact CD1-CD2 4.35Å; L139-Y301 HydrophobicContact CD1-CE1 3.88Å; L139-Y301 HydrophobicContact CD1-CG 3.78Å; L139-Y301 HydrophobicContact CD2-CD1 4.3Å; L139-Y301 HydrophobicContact CD2-CD2 3.57Å; L139-Y301 HydrophobicContact CD2-CE1 4.44Å; L139-Y301 HydrophobicContact CD2-CE2 3.73Å; L139-Y301 HydrophobicContact CD2-CG 3.85Å; L139-Y301 HydrophobicContact CG-CD1 4.37Å; L139-Y301 HydrophobicContact CG-CD2 4.46Å; L139-Y301 HydrophobicContact CG-CE1 4.38Å; L139-Y301 HydrophobicContact CG-CE2 4.47Å; L139-Y301 HydrophobicContact CG-CG 4.37Å
140A89Confident85.9Confident37 Ų3762.5 Ų62.531%0.30635%0.345SS..PPolyproline II helixtrans-61.9125.3178.200000109.9N137 G138N137-A140 HydrophobicContact CB-CB 3.94Å; G138-A140 PolarHBondContact O-N 2.69Å
141P94.2Very high85.9Confident42 Ų4261.8 Ų61.827%0.27334%0.339SS..PPolyproline II helixtrans-63.8141.2179-23.834.7000112.3L139 P275 G291 K292 I293L139-P141 WeakPolarHBondContact O-CD 3.37Å; P141-P275 CarbonylContact C-O 3.58Å; P141-P275 VanDerWaalsContact CA-O 3.28Å; P141-P275 WeakPolarHBondContact CA-O 3.37Å; P141-P275 HydrophobicContact CB-CB 4.1Å; P141-P275 HydrophobicContact CG-CB 4.06Å; P141-G291 WeakPolarHBondContact CG-O 3.41Å; P141-K292 VanDerWaalsContact CG-C 3.42Å; P141-I293 VanDerWaalsContact CG-N 3.35Å
142V94.9Very high86Confident14 Ų1460.6 Ų60.69%0.08533%0.33CS..EExtended strand (participates in β ladder)trans-97.5155.7179.4-66.10000112Y135 I144 A183 P275 G277Y135-V142 HydrophobicContact CE1-CG1 3.9Å; Y135-V142 WeakPolarHBondContact OH-CG1 3.3Å; V142-I144 HydrophobicContact CB-CD1 4.49Å; V142-I144 HydrophobicContact CG2-CD1 3.62Å; V142-I144 HydrophobicContact CG2-CG1 4.12Å; V142-A183 HydrophobicContact CB-CB 3.99Å; V142-A183 HydrophobicContact CG1-CB 4.15Å; V142-P275 WeakPolarHBondContact CG2-O 3.26Å; V142-P275 PolarHBondContact N-O 2.92Å; V142-G277 PolarHBondContact O-N 3.06Å
143K97.1Very high86.4Confident102 Ų10258.9 Ų58.944%0.44331%0.312SS..EExtended strand (participates in β ladder)trans-90.6131.7169.1-57.6-168.7174-144.40109.5Y182 A183 E278K143-Y182 HydrophobicContact CB-CD1 3.67Å; K143-Y182 HydrophobicContact CB-CE1 3.91Å; K143-A183 PolarHBondContact O-N 3.5Å; K143-E278 HydrophobicContact CB-CB 4.29Å; K143-E278 WeakPolarHBondContact CE-OE2 3.42Å; K143-E278 HydrophobicContact CG-CB 4.01Å; K143-E278 IonicContact NZ-OE2 3.26Å; K143-E278 PolarHBondContact NZ-OE2 3.33Å
144I98.2Very high87.3Confident1 Ų159.1 Ų59.11%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-119.7130.3-176.2-57.5-62.4000110.6V142 Q184 L186 V199 I276 E278 L279 K280V142-I144 HydrophobicContact CB-CD1 4.49Å; V142-I144 HydrophobicContact CG2-CD1 3.62Å; V142-I144 HydrophobicContact CG2-CG1 4.12Å; I144-Q184 WeakPolarHBondContact CA-O 3.27Å; I144-Q184 HydrophobicContact CD1-CB 3.59Å; I144-Q184 HydrophobicContact CD1-CG 4.46Å; I144-L186 HydrophobicContact CG2-CB 3.67Å; I144-V199 HydrophobicContact CD1-CG2 3.55Å; I144-V199 HydrophobicContact CG1-CG2 4.01Å; I144-V199 HydrophobicContact CG2-CG2 3.9Å; I144-I276 HydrophobicContact CB-CG2 4.21Å; I144-I276 HydrophobicContact CG1-CB 4.29Å; I144-I276 HydrophobicContact CG1-CD1 4.08Å; I144-I276 HydrophobicContact CG1-CG1 3.8Å; I144-I276 HydrophobicContact CG1-CG2 3.65Å; I144-E278 PolarHBondContact N-O 2.87Å; I144-L279 HydrophobicContact CB-CD2 3.61Å; I144-L279 HydrophobicContact CG2-CD2 3.57Å; I144-L279 WeakPolarHBondContact O-CA 3.07Å; I144-K280 PolarHBondContact O-N 2.8Å
145Y98.2Very high88.6Confident34 Ų3457.5 Ų57.513%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-93.4125.6175176.8-112.8000110.1E147 A177 Q184 V185 L186 K280Y145-E147 PolarHBondContact O-N 3.12Å; Y145-A177 HydrophobicContact CD1-CB 4.2Å; Y145-A177 HydrophobicContact CG-CB 4.43Å; Y145-Q184 PolarHBondContact N-O 2.99Å; Y145-V185 HydrophobicContact CD1-CG1 4.28Å; Y145-V185 CarbonylContact O-C 3.55Å; Y145-V185 WeakPolarHBondContact O-CA 3.26Å; Y145-L186 PolarHBondContact O-N 2.76Å; Y145-K280 HydrophobicContact CD2-CB 4.43Å; Y145-K280 HydrophobicContact CD2-CD 4.06Å; Y145-K280 HydrophobicContact CD2-CG 4.29Å; Y145-K280 HydrophobicContact CE2-CD 4.34Å
146V98.5Very high90.3Very high0 Ų057.7 Ų57.70%033%0.327CS..EExtended strand (participates in β ladder)trans-76.3117.3174.2-177.90000109E148 L186 L188 I249 L279 K280 Y281V146-E148 PolarHBondContact O-N 2.89Å; V146-L186 HydrophobicContact CG2-CB 4.16Å; V146-L186 HydrophobicContact CG2-CD2 3.98Å; V146-L188 HydrophobicContact CG1-CD1 3.74Å; V146-L188 HydrophobicContact CG1-CD2 3.92Å; V146-L188 HydrophobicContact CG1-CG 3.81Å; V146-I249 HydrophobicContact CG1-CD1 4.43Å; V146-I249 HydrophobicContact CG1-CG1 4.33Å; V146-I249 HydrophobicContact CG2-CD1 4.11Å; V146-L279 HydrophobicContact CG2-CD2 4.28Å; V146-K280 VanDerWaalsContact CB-O 3.31Å; V146-K280 WeakPolarHBondContact CB-O 3.49Å; V146-K280 VanDerWaalsContact CG2-O 3.29Å; V146-K280 WeakPolarHBondContact CG2-O 3.43Å; V146-K280 PolarHBondContact N-O 3.05Å; V146-Y281 HydrophobicContact CB-CD2 3.89Å; V146-Y281 HydrophobicContact CB-CG 4.47Å; V146-Y281 HydrophobicContact CG1-CD2 3.66Å; V146-Y281 HydrophobicContact CG1-CE2 4.22Å; V146-Y281 HydrophobicContact CG1-CG 4.5Å; V146-Y281 HydrophobicContact CG2-CD2 4.46Å
147E97.6Very high92.3Very high3 Ų350.4 Ų50.41%0.01429%0.292CS..EExtended strand (participates in β ladder)trans-84.4110.3-174.5175.955-115.200111.3Y145 H149 Y150 A173 V185 L186 W187 R193Y145-E147 PolarHBondContact O-N 3.12Å; E147-H149 VanDerWaalsContact OE1-CA 3.3Å; E147-H149 WeakPolarHBondContact OE1-CA 2.82Å; E147-H149 WeakPolarHBondContact OE1-CB 3.49Å; E147-H149 PolarHBondContact OE1-N 2.9Å; E147-Y150 WeakPolarHBondContact CG-O 3.4Å; E147-Y150 PolarHBondContact OE1-N 2.8Å; E147-A173 HydrophobicContact CG-CB 4.12Å; E147-A173 WeakPolarHBondContact OE2-CB 3.29Å; E147-V185 HydrophobicContact CB-CB 4.09Å; E147-V185 HydrophobicContact CB-CG1 4.34Å; E147-L186 PolarHBondContact N-O 2.85Å; E147-W187 HydrophobicContact CB-CE3 4.16Å; E147-W187 HydrophobicContact CB-CZ3 4.38Å; E147-W187 HydrophobicContact CG-CE3 3.97Å; E147-W187 HydrophobicContact CG-CZ3 3.79Å; E147-R193 PolarHBondContact O-NH2 3.1Å
148E94.3Very high94.4Very high78 Ų7845.6 Ų45.636%0.36427%0.268SS..SBendtrans-99.4-17.6-174.3-65.4177.6-121.300113.4V146 R193 Y281 G282V146-E148 PolarHBondContact O-N 2.89Å; E148-R193 PolarHBondContact O-NE 3.28Å; E148-R193 VanDerWaalsContact O-NE 3.16Å; E148-R193 PolarHBondContact O-NH2 2.95Å; E148-Y281 HydrophobicContact CG-CD2 4.19Å; E148-Y281 HydrophobicContact CG-CE2 3.89Å; E148-G282 PolarHBondContact OE1-N 3.45Å
149H95.2Very high95.7Very high144 Ų14443.7 Ų43.767%0.66725%0.248SC*.SBendtrans-101.1-55.2-178.2-171.864.5000113.7E147 R193E147-H149 VanDerWaalsContact OE1-CA 3.3Å; E147-H149 WeakPolarHBondContact OE1-CA 2.82Å; E147-H149 WeakPolarHBondContact OE1-CB 3.49Å; E147-H149 PolarHBondContact OE1-N 2.9Å; H149-R193 VanDerWaalsContact N-NH2 3.2Å; H149-R193 PolarHBondContact O-NH2 3.1Å
150Y97.4Very high96.4Very high73 Ų7345.1 Ų45.129%0.28625%0.253SS..  trans-83.9151.9-177.7-60.8-76.8000112.6E147 K172 A173 V176 R193E147-Y150 WeakPolarHBondContact CG-O 3.4Å; E147-Y150 PolarHBondContact OE1-N 2.8Å; Y150-K172 HydrophobicContact CE1-CB 4.32Å; Y150-K172 HydrophobicContact CE1-CG 3.88Å; Y150-K172 HydrophobicContact CE2-CG 4.05Å; Y150-K172 VanDerWaalsContact CZ-CG 3.46Å; Y150-K172 VanDerWaalsContact OH-CG 3.26Å; Y150-K172 WeakPolarHBondContact OH-CG 3.47Å; Y150-A173 HydrophobicContact CD2-CB 3.79Å; Y150-A173 HydrophobicContact CG-CB 4.06Å; Y150-V176 HydrophobicContact CE2-CG2 4.39Å; Y150-R193 PolarHBondContact O-NH1 2.85Å; Y150-R193 PolarHBondContact O-NH2 3.46Å
151V97.5Very high96.8Very high50 Ų5043.4 Ų43.430%0.30324%0.239SC..  trans-119.5131.9-177.6179.20000109.1A153 V154 G190V151-A153 WeakPolarHBondContact CG1-O 3.38Å; V151-V154 HydrophobicContact CG1-CG1 4.17Å; V151-G190 VanDerWaalsContact CG1-CA 3.4Å
152R97.9Very high97Very high19 Ų1942.4 Ų42.47%0.07223%0.23CC..SBendtrans-75.5-44.3173.7-163.4-161.872.983.9-5.4112.4G159 W187 E198 C221R152-G159 PolarHBondContact NH1-O 3.33Å; R152-G159 PolarHBondContact NH2-O 2.85Å; R152-W187 HydrophobicContact CB-CB 4.14Å; R152-W187 HydrophobicContact CB-CD2 3.55Å; R152-W187 HydrophobicContact CB-CE3 3.81Å; R152-W187 HydrophobicContact CB-CG 3.7Å; R152-W187 HydrophobicContact CB-CZ2 4.49Å; R152-W187 HydrophobicContact CB-CZ3 4.34Å; R152-W187 HydrophobicContact CG-CD2 4.07Å; R152-W187 HydrophobicContact CG-CG 4.15Å; R152-W187 HydrophobicContact CG-CZ2 4.43Å; R152-E198 IonicContact CZ-OE1 3.3Å; R152-E198 IonicContact NE-OE1 3.57Å; R152-E198 PolarHBondContact NE-OE1 2.95Å; R152-E198 IonicContact NH1-OE1 3.46Å; R152-E198 IonicContact NH2-OE1 3.65Å; R152-E198 PolarHBondContact NH2-OE1 3.37Å; R152-C221 PolarHBondContact NH2-O 3.5Å
153A97.1Very high97.2Very high11 Ų1141.8 Ų41.89%0.09123%0.227CC..  trans-158.3162.5-174.800000111.8V151 C221V151-A153 WeakPolarHBondContact CG1-O 3.38Å; A153-C221 HydrophobicContact CB-CB 4.32Å
154V96.4Very high97.3Very high69 Ų6938.8 Ų38.842%0.41822%0.221SC..  trans-128.5154.5171.2-69.60000109.4V151 G156 G157V151-V154 HydrophobicContact CG1-CG1 4.17Å; V154-G156 PolarHBondContact O-N 2.77Å; V154-G157 WeakPolarHBondContact O-CA 3.28Å; V154-G157 PolarHBondContact O-N 2.96Å
155T95.2Very high97.2Very high90 Ų9041 Ų4155%0.55224%0.24SC*.THydrogen-bonded Turntrans-55.1135.2169.3-64.70000110.2G157 R219T155-G157 PolarHBondContact O-N 3.06Å; T155-R219 WeakPolarHBondContact CB-O 3.5Å; T155-R219 VanDerWaalsContact CG2-O 3.31Å; T155-R219 WeakPolarHBondContact CG2-O 3.21Å; T155-R219 PolarHBondContact OG1-O 3.35Å
156G95.6Very high97.2Very high56 Ų5639.8 Ų39.858%0.57724%0.235SC*.THydrogen-bonded Turntrans80.7-5.4-172.500000114.4R67 V154R67-G156 PolarHBondContact NH2-O 2.96Å; V154-G156 PolarHBondContact O-N 2.77Å
157G96.6Very high97.2Very high18 Ų1842.6 Ų42.619%0.18625%0.246CC..SBendtrans-79.2-149.1173.500000113.6R67 V154 T155R67-G157 PolarHBondContact NE-O 2.88Å; R67-G157 PolarHBondContact NH2-O 3.34Å; V154-G157 WeakPolarHBondContact O-CA 3.28Å; V154-G157 PolarHBondContact O-N 2.96Å; T155-G157 PolarHBondContact O-N 3.06Å
158T97.7Very high97.1Very high42 Ų4245.4 Ų45.426%0.25827%0.27SS..SBendtrans-108.44.1178.745.40000112.9R67 L68 F160 T161 N166R67-T158 HydrophobicContact CG-CG2 4.14Å; L68-T158 HydrophobicContact CD2-CG2 4.39Å; T158-F160 PolarHBondContact O-N 3.38Å; T158-F160 VanDerWaalsContact O-N 3.1Å; T158-T161 WeakPolarHBondContact O-CB 3.16Å; T158-T161 PolarHBondContact O-N 3.35Å; T158-T161 PolarHBondContact O-OG1 3.05Å; T158-N166 WeakPolarHBondContact CB-OD1 3.17Å; T158-N166 PolarHBondContact O-ND2 3.45Å; T158-N166 PolarHBondContact OG1-OD1 2.92Å
159G97.8Very high97.2Very high0 Ų046.5 Ų46.50%028%0.277CS..THydrogen-bonded Turntrans-59.3-26.7-170.400000115.8R152 T161 L223R152-G159 PolarHBondContact NH1-O 3.33Å; R152-G159 PolarHBondContact NH2-O 2.85Å; G159-T161 PolarHBondContact O-N 3.02Å; G159-L223 PolarHBondContact O-N 3.4Å
160F98Very high97.3Very high65 Ų6540.9 Ų40.929%0.28525%0.254SS..THydrogen-bonded Turntrans-80.3-4.1177.171.1-86.8000114V63 R67 T158 G220 I222 L223V63-F160 HydrophobicContact CG1-CD2 3.95Å; V63-F160 HydrophobicContact CG1-CE2 3.84Å; R67-F160 HydrophobicContact CB-CZ 4.07Å; R67-F160 HydrophobicContact CG-CE1 4.21Å; R67-F160 HydrophobicContact CG-CZ 3.87Å; T158-F160 PolarHBondContact O-N 3.38Å; T158-F160 VanDerWaalsContact O-N 3.1Å; F160-G220 WeakPolarHBondContact CD1-O 3.21Å; F160-I222 WeakPolarHBondContact CA-O 3.36Å; F160-L223 WeakPolarHBondContact O-CD1 3.42Å
161T98.5Very high97.3Very high1 Ų143.4 Ų43.41%0.00627%0.27CS..SBendtrans-109.9166.7-179.172.30000111.2R67 T158 G159 A163 N166R67-T161 HydrophobicContact CB-CG2 3.6Å; R67-T161 HydrophobicContact CG-CG2 3.76Å; T158-T161 WeakPolarHBondContact O-CB 3.16Å; T158-T161 PolarHBondContact O-N 3.35Å; T158-T161 PolarHBondContact O-OG1 3.05Å; G159-T161 PolarHBondContact O-N 3.02Å; T161-A163 VanDerWaalsContact C-N 3.28Å; T161-A163 PolarHBondContact O-N 3.29Å; T161-A163 WeakPolarHBondContact OG1-CB 3.14Å; T161-A163 PolarHBondContact OG1-N 3.42Å; T161-N166 PolarHBondContact O-ND2 3.42Å
162K98.5Very high97.4Very high21 Ų2145.3 Ų45.39%0.09127%0.274CS..  trans-97.837.9174.2-155.4161.9169.264.30112F36 S64 Y167F36-K162 HydrophobicContact CD1-CG 4.17Å; F36-K162 VanDerWaalsContact CD1-O 3.25Å; F36-K162 WeakPolarHBondContact CD1-O 3.48Å; F36-K162 HydrophobicContact CD2-CD 4.28Å; F36-K162 VanDerWaalsContact CD2-CE 3.42Å; F36-K162 HydrophobicContact CD2-CG 4.19Å; F36-K162 HydrophobicContact CE1-CG 4.02Å; F36-K162 WeakPolarHBondContact CE1-O 3.38Å; F36-K162 HydrophobicContact CE2-CD 4.26Å; F36-K162 HydrophobicContact CE2-CG 4.07Å; F36-K162 HydrophobicContact CG-CG 4.27Å; F36-K162 HydrophobicContact CZ-CG 3.99Å; F36-K162 PolarHBondContact N-O 2.82Å; F36-K162 VanDerWaalsContact O-CB 3.24Å; F36-K162 WeakPolarHBondContact O-CB 3.36Å; F36-K162 WeakPolarHBondContact O-CD 3.33Å; F36-K162 WeakPolarHBondContact O-CG 3.35Å; S64-K162 PolarHBondContact OG-N 3.38Å; K162-Y167 HydrophobicContact CG-CE2 4.38Å; K162-Y167 PolarHBondContact NZ-OH 2.73Å
163A98.5Very high97.4Very high1 Ų144.4 Ų44.41%0.00827%0.271CS..BIsolated β-bridgetrans-60.5138.3173.300000111.4L68 T161 A165 N166 Y167L68-A163 HydrophobicContact CD1-CB 3.85Å; L68-A163 HydrophobicContact CD2-CB 4Å; L68-A163 HydrophobicContact CG-CB 4.35Å; T161-A163 VanDerWaalsContact C-N 3.28Å; T161-A163 PolarHBondContact O-N 3.29Å; T161-A163 WeakPolarHBondContact OG1-CB 3.14Å; T161-A163 PolarHBondContact OG1-N 3.42Å; A163-A165 PolarHBondContact O-N 3.1Å; A163-N166 WeakPolarHBondContact O-CB 3.46Å; A163-N166 PolarHBondContact O-N 3.23Å; A163-Y167 WeakPolarHBondContact O-CD2 3.5Å
164A98Very high97.4Very high39 Ų3945.2 Ų45.232%0.32227%0.272SS..THydrogen-bonded Turntrans-59.4-36.4178.700000112.3A34 N166 Y167 A168A34-A164 HydrophobicContact CB-CB 4.21Å; A34-A164 PolarHBondContact O-N 3.29Å; A164-N166 PolarHBondContact O-N 3.35Å; A164-Y167 PolarHBondContact O-N 3.41Å; A164-A168 PolarHBondContact O-N 2.94Å
165A97.1Very high97.4Very high48 Ų4846.3 Ų46.340%0.39727%0.273SS..Hα-helixtrans-56.4-33.618000000113.6A163 Y167 A168 I169A163-A165 PolarHBondContact O-N 3.1Å; A165-Y167 PolarHBondContact O-N 3.22Å; A165-A168 PolarHBondContact O-N 3.05Å; A165-I169 PolarHBondContact O-N 3.12Å
166N98.1Very high97.5Very high8 Ų843.6 Ų43.64%0.04326%0.256CS..Hα-helixtrans-62.9-24.7179.8-65.6-17.3000112.8T158 T161 A163 A164T158-N166 WeakPolarHBondContact CB-OD1 3.17Å; T158-N166 PolarHBondContact O-ND2 3.45Å; T158-N166 PolarHBondContact OG1-OD1 2.92Å; T161-N166 PolarHBondContact O-ND2 3.42Å; A163-N166 WeakPolarHBondContact O-CB 3.46Å; A163-N166 PolarHBondContact O-N 3.23Å; A164-N166 PolarHBondContact O-N 3.35Å
167Y97.8Very high97.6Very high59 Ų5941 Ų4123%0.23123%0.229CC..Hα-helixtrans-93.3-30.5-179.2-64.1-94.2000112F36 K162 A163 A164 A165 S170 M171 A201F36-Y167 AromaticContact CE1-CD2 3.55Å; F36-Y167 HydrophobicContact CE1-CD2 3.55Å; F36-Y167 AromaticContact CE1-CE2 3.3Å; F36-Y167 HydrophobicContact CE1-CE2 3.3Å; F36-Y167 HydrophobicContact CE1-CG 4.43Å; F36-Y167 HydrophobicContact CE2-CE2 4.43Å; F36-Y167 HydrophobicContact CZ-CD1 4.43Å; F36-Y167 AromaticContact CZ-CD2 3.67Å; F36-Y167 HydrophobicContact CZ-CD2 3.67Å; F36-Y167 HydrophobicContact CZ-CE1 4.03Å; F36-Y167 AromaticContact CZ-CE2 3.2Å; F36-Y167 HydrophobicContact CZ-CE2 3.2Å; F36-Y167 HydrophobicContact CZ-CG 4.27Å; F36-Y167 AromaticContact CZ-CZ 3.4Å; F36-Y167 VanDerWaalsContact CZ-CZ 3.4Å; K162-Y167 HydrophobicContact CG-CE2 4.38Å; K162-Y167 PolarHBondContact NZ-OH 2.73Å; A163-Y167 WeakPolarHBondContact O-CD2 3.5Å; A164-Y167 PolarHBondContact O-N 3.41Å; A165-Y167 PolarHBondContact O-N 3.22Å; Y167-S170 PolarHBondContact O-N 3.4Å; Y167-S170 PolarHBondContact O-OG 2.81Å; Y167-M171 WeakPolarHBondContact O-CG 3.25Å; Y167-A201 HydrophobicContact CE1-CB 3.88Å
168A97.2Very high97.6Very high61 Ų6145.6 Ų45.650%0.50425%0.246SC..Hα-helixtrans-64.2-44176.600000111.2A164 A165 S170A164-A168 PolarHBondContact O-N 2.94Å; A165-A168 PolarHBondContact O-N 3.05Å; A168-S170 VanDerWaalsContact C-N 3.25Å; A168-S170 PolarHBondContact O-N 3.14Å
169I96.3Very high97.6Very high101 Ų10150.4 Ų50.452%0.51827%0.265SS..THydrogen-bonded Turntrans-72.6-17.4-178.767173.8000113.5A165A165-I169 PolarHBondContact O-N 3.12Å
170S97.2Very high97.5Very high26 Ų2654 Ų5418%0.18228%0.282CS..THydrogen-bonded Turntrans-82-18-178.1670000113.7Y167 A168 K172 A173 Q174Y167-S170 PolarHBondContact O-N 3.4Å; Y167-S170 PolarHBondContact O-OG 2.81Å; A168-S170 VanDerWaalsContact C-N 3.25Å; A168-S170 PolarHBondContact O-N 3.14Å; S170-K172 VanDerWaalsContact C-N 3.32Å; S170-K172 PolarHBondContact O-N 2.99Å; S170-A173 PolarHBondContact O-N 3.29Å; S170-Q174 PolarHBondContact O-N 3.16Å
171M97.5Very high97.4Very high127 Ų12753.6 Ų53.663%0.62630%0.296SS*.Hα-helixtrans-61.2-37.3-169.8-66.6179.2179.800113.1Y167 A173 Q174 E175Y167-M171 WeakPolarHBondContact O-CG 3.25Å; M171-A173 PolarHBondContact O-N 3.04Å; M171-Q174 WeakPolarHBondContact O-CB 3.49Å; M171-Q174 PolarHBondContact O-N 3.01Å; M171-E175 PolarHBondContact O-N 2.96Å
172K98Very high97.3Very high90 Ų9054.2 Ų54.239%0.39130%0.298SS..Hα-helixtrans-67.2-38.6-177.7-176.160.1-169.9169.30112.8Y150 S170 Q174 E175 V176Y150-K172 HydrophobicContact CE1-CB 4.32Å; Y150-K172 HydrophobicContact CE1-CG 3.88Å; Y150-K172 HydrophobicContact CE2-CG 4.05Å; Y150-K172 VanDerWaalsContact CZ-CG 3.46Å; Y150-K172 VanDerWaalsContact OH-CG 3.26Å; Y150-K172 WeakPolarHBondContact OH-CG 3.47Å; S170-K172 VanDerWaalsContact C-N 3.32Å; S170-K172 PolarHBondContact O-N 2.99Å; K172-Q174 VanDerWaalsContact C-N 3.33Å; K172-E175 VanDerWaalsContact CD-OE2 3.29Å; K172-E175 WeakPolarHBondContact CD-OE2 3.1Å; K172-E175 IonicContact NZ-OE2 2.63Å; K172-E175 PolarHBondContact NZ-OE2 3.21Å; K172-E175 PolarHBondContact O-N 3Å; K172-V176 WeakPolarHBondContact O-CG2 3.11Å; K172-V176 PolarHBondContact O-N 3.17Å; K172-V176 VanDerWaalsContact O-N 3.15Å
173A97.9Very high97.1Very high0 Ų055.3 Ų55.30%031%0.311CS..Hα-helixtrans-64.9-41.1174.900000111.2E147 Y150 S170 M171 V176 A177 V185 W187E147-A173 HydrophobicContact CG-CB 4.12Å; E147-A173 WeakPolarHBondContact OE2-CB 3.29Å; Y150-A173 HydrophobicContact CD2-CB 3.79Å; Y150-A173 HydrophobicContact CG-CB 4.06Å; S170-A173 PolarHBondContact O-N 3.29Å; M171-A173 PolarHBondContact O-N 3.04Å; A173-V176 PolarHBondContact O-N 3.14Å; A173-A177 PolarHBondContact O-N 2.89Å; A173-V185 HydrophobicContact CB-CG1 4.37Å; A173-W187 HydrophobicContact CB-CH2 3.39Å; A173-W187 HydrophobicContact CB-CZ2 4.37Å; A173-W187 HydrophobicContact CB-CZ3 3.74Å
174Q97.5Very high97Very high27 Ų2757.2 Ų57.213%0.12632%0.32CS..Hα-helixtrans-62.1-45.4177.1-177.961.833.200111.6S170 M171 K172 V176 A177 E178 A183S170-Q174 PolarHBondContact O-N 3.16Å; M171-Q174 WeakPolarHBondContact O-CB 3.49Å; M171-Q174 PolarHBondContact O-N 3.01Å; K172-Q174 VanDerWaalsContact C-N 3.33Å; Q174-V176 PolarHBondContact O-N 3.5Å; Q174-A177 PolarHBondContact O-N 3.19Å; Q174-E178 WeakPolarHBondContact CG-OE1 3.23Å; Q174-E178 PolarHBondContact NE2-OE1 3.41Å; Q174-E178 WeakPolarHBondContact O-CG 3.34Å; Q174-E178 PolarHBondContact O-N 3.05Å; Q174-A183 PolarHBondContact NE2-O 2.97Å
175E97.6Very high97Very high93 Ų9355.3 Ų55.344%0.43530%0.304SS..Hα-helixtrans-57-47.3175.5-177-175.7-125.900111.5M171 K172 A177 E178 E179M171-E175 PolarHBondContact O-N 2.96Å; K172-E175 VanDerWaalsContact CD-OE2 3.29Å; K172-E175 WeakPolarHBondContact CD-OE2 3.1Å; K172-E175 IonicContact NZ-OE2 2.63Å; K172-E175 PolarHBondContact NZ-OE2 3.21Å; K172-E175 PolarHBondContact O-N 3Å; E175-A177 VanDerWaalsContact C-N 3.3Å; E175-A177 PolarHBondContact O-N 3.42Å; E175-E178 PolarHBondContact O-N 3.34Å; E175-E179 WeakPolarHBondContact O-CG 3.5Å; E175-E179 PolarHBondContact O-N 2.9Å
176V97Very high97.1Very high33 Ų3353 Ų5320%0.229%0.285CS..Hα-helixtrans-63.6-34178.6170.40000112.5Y150 K172 A173 Q174 Q180Y150-V176 HydrophobicContact CE2-CG2 4.39Å; K172-V176 WeakPolarHBondContact O-CG2 3.11Å; K172-V176 PolarHBondContact O-N 3.17Å; K172-V176 VanDerWaalsContact O-N 3.15Å; A173-V176 PolarHBondContact O-N 3.14Å; Q174-V176 PolarHBondContact O-N 3.5Å; V176-Q180 PolarHBondContact O-NE2 3.29Å
177A97.1Very high97.1Very high0 Ų052.9 Ų52.90%028%0.284CS..Hα-helixtrans-71.3-42.9175.300000111.8Y145 A173 Q174 E175 Q180 G181 Y182 V185Y145-A177 HydrophobicContact CD1-CB 4.2Å; Y145-A177 HydrophobicContact CG-CB 4.43Å; A173-A177 PolarHBondContact O-N 2.89Å; Q174-A177 PolarHBondContact O-N 3.19Å; E175-A177 VanDerWaalsContact C-N 3.3Å; E175-A177 PolarHBondContact O-N 3.42Å; A177-Q180 CarbonylContact O-C 3.56Å; A177-Q180 PolarHBondContact O-N 3.28Å; A177-Q180 VanDerWaalsContact O-N 3.09Å; A177-G181 PolarHBondContact O-N 3.21Å; A177-Y182 CarbonylContact C-O 3.54Å; A177-Y182 WeakPolarHBondContact O-CB 3.18Å; A177-Y182 PolarHBondContact O-N 2.81Å; A177-V185 HydrophobicContact CB-CG1 3.55Å
178E96.6Very high97.1Very high115 Ų11550.1 Ų50.154%0.53727%0.273SS..Hα-helixtrans-63.5-40.6177.9-75.7174.8-170.300112.2Q174 E175 Q180 G181 Y182Q174-E178 WeakPolarHBondContact CG-OE1 3.23Å; Q174-E178 PolarHBondContact NE2-OE1 3.41Å; Q174-E178 WeakPolarHBondContact O-CG 3.34Å; Q174-E178 PolarHBondContact O-N 3.05Å; E175-E178 PolarHBondContact O-N 3.34Å; E178-Q180 PolarHBondContact O-N 3.11Å; E178-Q180 VanDerWaalsContact O-N 3.11Å; E178-G181 PolarHBondContact O-N 3.24Å; E178-Y182 WeakPolarHBondContact CA-O 3.24Å
179E97.2Very high97.1Very high143 Ų14347.4 Ų47.467%0.66825%0.25SS*.Hα-helixtrans-56.8-26173.3-75.8176.8171.500112.7E175E175-E179 WeakPolarHBondContact O-CG 3.5Å; E175-E179 PolarHBondContact O-N 2.9Å
180Q95.5Very high97Very high77 Ų7743.7 Ų43.736%0.3624%0.237SC..THydrogen-bonded Turntrans-96.62.8177.1-66.4176.27500113.5V176 A177 E178 Y182V176-Q180 PolarHBondContact O-NE2 3.29Å; A177-Q180 CarbonylContact O-C 3.56Å; A177-Q180 PolarHBondContact O-N 3.28Å; A177-Q180 VanDerWaalsContact O-N 3.09Å; E178-Q180 PolarHBondContact O-N 3.11Å; E178-Q180 VanDerWaalsContact O-N 3.11Å; Q180-Y182 HydrophobicContact CB-CD2 3.78Å; Q180-Y182 HydrophobicContact CB-CE2 4.17Å; Q180-Y182 WeakPolarHBondContact O-CD2 3.48Å
181G96.3Very high96.8Very high55 Ų5547.3 Ų47.357%0.56726%0.258SS*.THydrogen-bonded Turntrans80.721.3-179.600000114.8A177 E178A177-G181 PolarHBondContact O-N 3.21Å; E178-G181 PolarHBondContact O-N 3.24Å
182Y96.9Very high96.7Very high15 Ų1546.8 Ų46.86%0.05925%0.253CS..  trans-99.3137.7174.6-69.4-90.1000110.7K143 A177 E178 Q180 E278 K280 H285K143-Y182 HydrophobicContact CB-CD1 3.67Å; K143-Y182 HydrophobicContact CB-CE1 3.91Å; A177-Y182 CarbonylContact C-O 3.54Å; A177-Y182 WeakPolarHBondContact O-CB 3.18Å; A177-Y182 PolarHBondContact O-N 2.81Å; E178-Y182 WeakPolarHBondContact CA-O 3.24Å; Q180-Y182 HydrophobicContact CB-CD2 3.78Å; Q180-Y182 HydrophobicContact CB-CE2 4.17Å; Q180-Y182 WeakPolarHBondContact O-CD2 3.48Å; Y182-E278 PolarHBondContact OH-OE1 3.47Å; Y182-K280 HydrophobicContact CE1-CB 3.56Å; Y182-K280 HydrophobicContact CE1-CD 4.37Å; Y182-K280 HydrophobicContact CE2-CB 4.31Å; Y182-K280 HydrophobicContact CE2-CD 3.56Å; Y182-K280 VanDerWaalsContact CZ-CB 3.47Å; Y182-K280 VanDerWaalsContact CZ-CD 3.46Å; Y182-K280 WeakPolarHBondContact OH-CB 3.44Å; Y182-K280 VanDerWaalsContact OH-CD 3.24Å; Y182-K280 WeakPolarHBondContact OH-CD 3.13Å; Y182-H285 PolarHBondContact OH-CE1 3.25Å; Y182-H285 PolarHBondContact OH-ND1 3.02Å
183A94.6Very high96.6Very high43 Ų4345.2 Ų45.236%0.35525%0.245SC..SBendtrans-79.1-30-17300000112.8V142 K143 Q174V142-A183 HydrophobicContact CB-CB 3.99Å; V142-A183 HydrophobicContact CG1-CB 4.15Å; K143-A183 PolarHBondContact O-N 3.5Å; Q174-A183 PolarHBondContact NE2-O 2.97Å
184Q95.8Very high96.6Very high41 Ų4148.3 Ų48.319%0.19226%0.259CS..EExtended strand (participates in β ladder)trans-152.8169.4-179.8-67.5-66.2-59.300109.8I144 Y145I144-Q184 WeakPolarHBondContact CA-O 3.27Å; I144-Q184 HydrophobicContact CD1-CB 3.59Å; I144-Q184 HydrophobicContact CD1-CG 4.46Å; Y145-Q184 PolarHBondContact N-O 2.99Å
185V97.6Very high96.6Very high0 Ų049.2 Ų49.20%026%0.261CS..EExtended strand (participates in β ladder)trans-101.8147.2173.9-64.40000112.7Y145 E147 A173 A177 W187 V199 G200Y145-V185 HydrophobicContact CD1-CG1 4.28Å; Y145-V185 CarbonylContact O-C 3.55Å; Y145-V185 WeakPolarHBondContact O-CA 3.26Å; E147-V185 HydrophobicContact CB-CB 4.09Å; E147-V185 HydrophobicContact CB-CG1 4.34Å; A173-V185 HydrophobicContact CB-CG1 4.37Å; A177-V185 HydrophobicContact CB-CG1 3.55Å; V185-W187 HydrophobicContact CG2-CD2 3.82Å; V185-W187 HydrophobicContact CG2-CE3 4.27Å; V185-W187 HydrophobicContact CG2-CG 4.48Å; V185-W187 HydrophobicContact CG2-CH2 3.87Å; V185-W187 HydrophobicContact CG2-CZ2 3.3Å; V185-W187 HydrophobicContact CG2-CZ3 4.31Å; V185-V199 CarbonylContact O-C 3.54Å; V185-V199 WeakPolarHBondContact O-CA 3.44Å; V185-G200 PolarHBondContact O-N 2.87Å
186L98.6Very high96.6Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-95.3118.1161.7-171.775.2000107.9I144 Y145 V146 E147 I196 V199 V204 F206 I249 L279I144-L186 HydrophobicContact CG2-CB 3.67Å; Y145-L186 PolarHBondContact O-N 2.76Å; V146-L186 HydrophobicContact CG2-CB 4.16Å; V146-L186 HydrophobicContact CG2-CD2 3.98Å; E147-L186 PolarHBondContact N-O 2.85Å; L186-I196 HydrophobicContact CD1-CG2 3.82Å; L186-I196 HydrophobicContact CD2-CD1 4.08Å; L186-I196 HydrophobicContact CD2-CG1 4.06Å; L186-I196 HydrophobicContact CD2-CG2 4.06Å; L186-I196 HydrophobicContact CG-CG2 4.03Å; L186-V199 HydrophobicContact CD1-CB 3.96Å; L186-V199 HydrophobicContact CD1-CG2 4.5Å; L186-V204 HydrophobicContact CD1-CB 4.36Å; L186-V204 HydrophobicContact CD1-CG1 4.21Å; L186-V204 HydrophobicContact CD1-CG2 4.05Å; L186-F206 HydrophobicContact CD1-CZ 4.24Å; L186-F206 HydrophobicContact CD2-CZ 4.39Å; L186-I249 HydrophobicContact CD2-CD1 4.22Å; L186-L279 HydrophobicContact CB-CD2 4.38Å; L186-L279 HydrophobicContact CD2-CD2 4.14Å
187W98.4Very high96.6Very high5 Ų543.2 Ų43.22%0.01923%0.231CC..EExtended strand (participates in β ladder)trans-79.9128.7-179.1-61109000111.1E147 R152 A173 V185 D197 E198 G200E147-W187 HydrophobicContact CB-CE3 4.16Å; E147-W187 HydrophobicContact CB-CZ3 4.38Å; E147-W187 HydrophobicContact CG-CE3 3.97Å; E147-W187 HydrophobicContact CG-CZ3 3.79Å; R152-W187 HydrophobicContact CB-CB 4.14Å; R152-W187 HydrophobicContact CB-CD2 3.55Å; R152-W187 HydrophobicContact CB-CE3 3.81Å; R152-W187 HydrophobicContact CB-CG 3.7Å; R152-W187 HydrophobicContact CB-CZ2 4.49Å; R152-W187 HydrophobicContact CB-CZ3 4.34Å; R152-W187 HydrophobicContact CG-CD2 4.07Å; R152-W187 HydrophobicContact CG-CG 4.15Å; R152-W187 HydrophobicContact CG-CZ2 4.43Å; A173-W187 HydrophobicContact CB-CH2 3.39Å; A173-W187 HydrophobicContact CB-CZ2 4.37Å; A173-W187 HydrophobicContact CB-CZ3 3.74Å; V185-W187 HydrophobicContact CG2-CD2 3.82Å; V185-W187 HydrophobicContact CG2-CE3 4.27Å; V185-W187 HydrophobicContact CG2-CG 4.48Å; V185-W187 HydrophobicContact CG2-CH2 3.87Å; V185-W187 HydrophobicContact CG2-CZ2 3.3Å; V185-W187 HydrophobicContact CG2-CZ3 4.31Å; W187-D197 HydrophobicContact CB-CB 4.24Å; W187-D197 PolarHBondContact O-N 3.31Å; W187-E198 PolarHBondContact N-O 3.4Å; W187-G200 PolarHBondContact NE1-O 3Å
188L98Very high96.7Very high0 Ų043.4 Ų43.40%023%0.232CC..EExtended strand (participates in β ladder)trans-94.1153.6164.3-56.3-177.7000110.4V146 R193 Y195 I196 I249 Y281V146-L188 HydrophobicContact CG1-CD1 3.74Å; V146-L188 HydrophobicContact CG1-CD2 3.92Å; V146-L188 HydrophobicContact CG1-CG 3.81Å; L188-R193 WeakPolarHBondContact CD1-O 3.24Å; L188-R193 PolarHBondContact O-NH1 2.79Å; L188-Y195 CarbonylContact C-O 3.38Å; L188-Y195 VanDerWaalsContact CA-O 3.29Å; L188-Y195 WeakPolarHBondContact CA-O 3.37Å; L188-I196 HydrophobicContact CD2-CG1 3.96Å; L188-I249 HydrophobicContact CD1-CG2 4.39Å; L188-I249 HydrophobicContact CD2-CB 4.09Å; L188-I249 HydrophobicContact CD2-CG2 4.39Å; L188-Y281 HydrophobicContact CD1-CE2 4.41Å
189D96.8Very high96.7Very high4 Ų438 Ų382%0.02121%0.207CC..PPolyproline II helixtrans-56.8150.9-179.381.2-78.2000112.1V191 H192 R193 K194 Y195D189-V191 VanDerWaalsContact C-N 3.31Å; D189-V191 PolarHBondContact O-N 2.94Å; D189-V191 PolarHBondContact OD2-N 3.45Å; D189-H192 IonicContact OD2-CD2 2.79Å; D189-H192 IonicContact OD2-CG 3.96Å; D189-H192 PolarHBondContact OD2-N 3.33Å; D189-R193 WeakPolarHBondContact O-CA 3.27Å; D189-R193 WeakPolarHBondContact O-CD 3.39Å; D189-R193 PolarHBondContact O-N 3.09Å; D189-R193 PolarHBondContact O-NH1 3.24Å; D189-R193 PolarHBondContact OD1-N 3.37Å; D189-K194 PolarHBondContact OD1-N 2.97Å; D189-Y195 PolarHBondContact N-O 3.24Å; D189-Y195 PolarHBondContact OD1-N 3.45Å
190G94.9Very high96.7Very high23 Ų2331.7 Ų31.724%0.23718%0.18CC..THydrogen-bonded Turntrans-76.6-8.1-175.200000116.4V151V151-G190 VanDerWaalsContact CG1-CA 3.4Å
191V93.9Very high96.7Very high102 Ų10230.7 Ų30.762%0.61819%0.185SC*.THydrogen-bonded Turntrans-105.1-57.5-173.7-179.30000111.1D189D189-V191 VanDerWaalsContact C-N 3.31Å; D189-V191 PolarHBondContact O-N 2.94Å; D189-V191 PolarHBondContact OD2-N 3.45Å
192H95.2Very high96.7Very high116 Ų11629 Ų2954%0.53716%0.163SC..THydrogen-bonded Turntrans-95.9-14.9-174.5-56.7-71.1000112.8D189 K194 Y195D189-H192 IonicContact OD2-CD2 2.79Å; D189-H192 IonicContact OD2-CG 3.96Å; D189-H192 PolarHBondContact OD2-N 3.33Å; H192-K194 HydrophobicContact CB-CD 4.32Å; H192-K194 HydrophobicContact CB-CG 3.82Å; H192-K194 PolarHBondContact O-N 3.47Å; H192-Y195 HydrophobicContact CB-CD2 4.01Å; H192-Y195 HydrophobicContact CB-CE2 3.97Å; H192-Y195 AromaticContact CD2-CD2 3.81Å; H192-Y195 AromaticContact CD2-CE2 3.52Å; H192-Y195 AromaticContact CG-CE2 3.84Å
193R95.5Very high96.8Very high57 Ų5728.5 Ų28.522%0.21516%0.161CC..SBendtrans53.639.2-178.4-50.4-63.3-64.4150.5-12.3111.8E147 E148 H149 Y150 L188 D189E147-R193 PolarHBondContact O-NH2 3.1Å; E148-R193 PolarHBondContact O-NE 3.28Å; E148-R193 VanDerWaalsContact O-NE 3.16Å; E148-R193 PolarHBondContact O-NH2 2.95Å; H149-R193 VanDerWaalsContact N-NH2 3.2Å; H149-R193 PolarHBondContact O-NH2 3.1Å; Y150-R193 PolarHBondContact O-NH1 2.85Å; Y150-R193 PolarHBondContact O-NH2 3.46Å; L188-R193 WeakPolarHBondContact CD1-O 3.24Å; L188-R193 PolarHBondContact O-NH1 2.79Å; D189-R193 WeakPolarHBondContact O-CA 3.27Å; D189-R193 WeakPolarHBondContact O-CD 3.39Å; D189-R193 PolarHBondContact O-N 3.09Å; D189-R193 PolarHBondContact O-NH1 3.24Å; D189-R193 PolarHBondContact OD1-N 3.37Å
194K96.9Very high97Very high65 Ų6526.5 Ų26.528%0.28315%0.145SC..  trans-145.6-23.8-179.169.8176.9-176.81500114.5D189 H192 E248 I249D189-K194 PolarHBondContact OD1-N 2.97Å; H192-K194 HydrophobicContact CB-CD 4.32Å; H192-K194 HydrophobicContact CB-CG 3.82Å; H192-K194 PolarHBondContact O-N 3.47Å; K194-E248 HydrophobicContact CD-CG 4.44Å; K194-E248 IonicContact NZ-OE1 3.79Å; K194-E248 PolarHBondContact NZ-OE1 3.25Å; K194-E248 IonicContact NZ-OE2 2.75Å; K194-E248 PolarHBondContact NZ-OE2 3.36Å; K194-E248 VanDerWaalsContact NZ-OE2 3.15Å; K194-E248 CarbonylContact O-C 3.57Å; K194-E248 WeakPolarHBondContact O-CA 3.15Å; K194-I249 PolarHBondContact O-N 2.93Å
195Y97.8Very high97.2Very high46 Ų4624.6 Ų24.618%0.1814%0.136CC..BIsolated β-bridgetrans-83.7133.2176.4-61.1-71.1000109.4L188 D189 H192 D246 I247 E248L188-Y195 CarbonylContact C-O 3.38Å; L188-Y195 VanDerWaalsContact CA-O 3.29Å; L188-Y195 WeakPolarHBondContact CA-O 3.37Å; D189-Y195 PolarHBondContact N-O 3.24Å; D189-Y195 PolarHBondContact OD1-N 3.45Å; H192-Y195 HydrophobicContact CB-CD2 4.01Å; H192-Y195 HydrophobicContact CB-CE2 3.97Å; H192-Y195 AromaticContact CD2-CD2 3.81Å; H192-Y195 AromaticContact CD2-CE2 3.52Å; H192-Y195 AromaticContact CG-CE2 3.84Å; Y195-D246 HydrophobicContact CD1-CB 3.81Å; Y195-D246 HydrophobicContact CE1-CB 4.13Å; Y195-I247 CarbonylContact C-O 3.43Å; Y195-I247 WeakPolarHBondContact CA-O 3.39Å; Y195-E248 HydrophobicContact CD1-CG 3.62Å; Y195-E248 HydrophobicContact CE1-CG 3.32Å; Y195-E248 WeakPolarHBondContact CE1-OE1 3.26Å; Y195-E248 PolarHBondContact OH-OE1 2.62Å; Y195-E248 VanDerWaalsContact OH-OE1 3.09Å
196I98.3Very high97.2Very high0 Ų024.6 Ų24.60%014%0.136CC..EExtended strand (participates in β ladder)trans-78.1134.3-179.2-64165.4000109.6L186 L188 V204 F206 P215 R219 I247 I249 L252L186-I196 HydrophobicContact CD1-CG2 3.82Å; L186-I196 HydrophobicContact CD2-CD1 4.08Å; L186-I196 HydrophobicContact CD2-CG1 4.06Å; L186-I196 HydrophobicContact CD2-CG2 4.06Å; L186-I196 HydrophobicContact CG-CG2 4.03Å; L188-I196 HydrophobicContact CD2-CG1 3.96Å; I196-V204 HydrophobicContact CG2-CG1 3.74Å; I196-F206 HydrophobicContact CD1-CE2 3.89Å; I196-F206 HydrophobicContact CD1-CZ 3.87Å; I196-F206 HydrophobicContact CG2-CE2 4Å; I196-F206 HydrophobicContact CG2-CZ 4.04Å; I196-P215 HydrophobicContact CB-CG 4.41Å; I196-P215 HydrophobicContact CG2-CG 4.12Å; I196-P215 WeakPolarHBondContact O-CB 3.45Å; I196-P215 VanDerWaalsContact O-CG 3.23Å; I196-P215 WeakPolarHBondContact O-CG 3.23Å; I196-R219 PolarHBondContact O-NH2 2.94Å; I196-I247 HydrophobicContact CD1-CG2 4.01Å; I196-I247 PolarHBondContact N-O 2.78Å; I196-I249 HydrophobicContact CD1-CB 4.47Å; I196-I249 HydrophobicContact CD1-CD1 4.04Å; I196-I249 HydrophobicContact CG1-CB 4.4Å; I196-I249 HydrophobicContact CG1-CD1 4.49Å; I196-L252 HydrophobicContact CD1-CD1 3.36Å; I196-L252 HydrophobicContact CD1-CG 4.11Å
197D97.3Very high97.2Very high1 Ų124.7 Ų24.71%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-104-72.6175.9-770.6000111.5W187 R219 I222W187-D197 HydrophobicContact CB-CB 4.24Å; W187-D197 PolarHBondContact O-N 3.31Å; D197-R219 IonicContact OD1-CZ 2.77Å; D197-R219 IonicContact OD1-NH1 2.75Å; D197-R219 PolarHBondContact OD1-NH1 2.7Å; D197-R219 IonicContact OD1-NH2 3.67Å; D197-R219 PolarHBondContact OD1-NH2 2.93Å; D197-I222 HydrophobicContact CB-CD1 4.29Å; D197-I222 HydrophobicContact CB-CG1 4.13Å
198E98.1Very high97.3Very high3 Ų325.5 Ų25.51%0.01414%0.142CC..EExtended strand (participates in β ladder)trans-145.8166.2-170-72.7-167.6-114.700111R152 W187 M202 I222 L223R152-E198 IonicContact CZ-OE1 3.3Å; R152-E198 IonicContact NE-OE1 3.57Å; R152-E198 PolarHBondContact NE-OE1 2.95Å; R152-E198 IonicContact NH1-OE1 3.46Å; R152-E198 IonicContact NH2-OE1 3.65Å; R152-E198 PolarHBondContact NH2-OE1 3.37Å; W187-E198 PolarHBondContact N-O 3.4Å; E198-M202 WeakPolarHBondContact CB-O 3.49Å; E198-I222 HydrophobicContact CG-CG2 3.88Å; E198-L223 PolarHBondContact OE1-N 3.09Å
199V97.8Very high97.2Very high1 Ų131.3 Ų31.31%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-113.4108.4171.860.40000109.6I144 V185 L186 A201 M202 V204 I276I144-V199 HydrophobicContact CD1-CG2 3.55Å; I144-V199 HydrophobicContact CG1-CG2 4.01Å; I144-V199 HydrophobicContact CG2-CG2 3.9Å; V185-V199 CarbonylContact O-C 3.54Å; V185-V199 WeakPolarHBondContact O-CA 3.44Å; L186-V199 HydrophobicContact CD1-CB 3.96Å; L186-V199 HydrophobicContact CD1-CG2 4.5Å; V199-A201 PolarHBondContact O-N 2.83Å; V199-A201 VanDerWaalsContact O-N 3.13Å; V199-M202 HydrophobicContact CG1-CB 4.05Å; V199-M202 HydrophobicContact CG1-CE 4.45Å; V199-M202 PolarHBondContact N-O 2.78Å; V199-M202 WeakPolarHBondContact O-CA 3.33Å; V199-M202 WeakPolarHBondContact O-CB 3.3Å; V199-M202 PolarHBondContact O-N 2.83Å; V199-V204 HydrophobicContact CB-CB 4.15Å; V199-V204 HydrophobicContact CB-CG2 4.22Å; V199-V204 HydrophobicContact CG1-CB 3.8Å; V199-V204 HydrophobicContact CG1-CG2 3.98Å; V199-I276 HydrophobicContact CG2-CD1 4.26Å
200G96.4Very high97.2Very high11 Ų1133.3 Ų33.311%0.11319%0.194CC..THydrogen-bonded Turntrans60.5-115-174.400000111.1V185 W187V185-G200 PolarHBondContact O-N 2.87Å; W187-G200 PolarHBondContact NE1-O 3Å
201A95.7Very high97.4Very high57 Ų5734.4 Ų34.447%0.47119%0.193SC..THydrogen-bonded Turntrans-10823.617400000113.3Y167 V199Y167-A201 HydrophobicContact CE1-CB 3.88Å; V199-A201 PolarHBondContact O-N 2.83Å; V199-A201 VanDerWaalsContact O-N 3.13Å
202M97.2Very high97.6Very high18 Ų1829.5 Ų29.59%0.08916%0.164CC..BIsolated β-bridgetrans-125.3150.1-176.7-64.1176.3-72.700110.8E198 V199 S267 A271E198-M202 WeakPolarHBondContact CB-O 3.49Å; V199-M202 HydrophobicContact CG1-CB 4.05Å; V199-M202 HydrophobicContact CG1-CE 4.45Å; V199-M202 PolarHBondContact N-O 2.78Å; V199-M202 WeakPolarHBondContact O-CA 3.33Å; V199-M202 WeakPolarHBondContact O-CB 3.3Å; V199-M202 PolarHBondContact O-N 2.83Å; M202-S267 WeakPolarHBondContact CB-O 3.48Å; M202-A271 HydrophobicContact SD-CB 4.47Å
203N98.7Very high97.8Very high6 Ų624.1 Ų24.13%0.03214%0.139CC..EExtended strand (participates in β ladder)trans-67.7158.3164.7-63115.9000110I222 L223 G225 R228 G266 S267N203-I222 WeakPolarHBondContact ND2-CG2 3.34Å; N203-L223 PolarHBondContact ND2-O 2.87Å; N203-L223 PolarHBondContact OD1-O 3.31Å; N203-G225 WeakPolarHBondContact OD1-CA 3.45Å; N203-G225 PolarHBondContact OD1-N 2.69Å; N203-R228 HydrophobicContact CB-CB 3.83Å; N203-R228 HydrophobicContact CB-CG 4.07Å; N203-R228 WeakPolarHBondContact OD1-CB 3.38Å; N203-G266 CarbonylContact O-C 3.55Å; N203-G266 WeakPolarHBondContact O-CA 3.3Å; N203-S267 PolarHBondContact N-O 3.38Å; N203-S267 VanDerWaalsContact N-O 3.1Å; N203-S267 PolarHBondContact O-N 2.94Å
204V98.7Very high98Very high1 Ų121.4 Ų21.41%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-122.9145.6-177.268.70000111.9L186 I196 V199 F206 T214 P215 I276L186-V204 HydrophobicContact CD1-CB 4.36Å; L186-V204 HydrophobicContact CD1-CG1 4.21Å; L186-V204 HydrophobicContact CD1-CG2 4.05Å; I196-V204 HydrophobicContact CG2-CG1 3.74Å; V199-V204 HydrophobicContact CB-CB 4.15Å; V199-V204 HydrophobicContact CB-CG2 4.22Å; V199-V204 HydrophobicContact CG1-CB 3.8Å; V199-V204 HydrophobicContact CG1-CG2 3.98Å; V204-F206 HydrophobicContact CB-CE2 4.48Å; V204-F206 HydrophobicContact CB-CZ 4.31Å; V204-F206 HydrophobicContact CG1-CE2 3.79Å; V204-F206 HydrophobicContact CG1-CZ 3.91Å; V204-F206 HydrophobicContact CG2-CE1 3.76Å; V204-F206 HydrophobicContact CG2-CE2 3.94Å; V204-F206 HydrophobicContact CG2-CZ 3.43Å; V204-F206 VanDerWaalsContact CG2-CZ 3.43Å; V204-T214 WeakPolarHBondContact O-CB 3.43Å; V204-T214 PolarHBondContact O-OG1 2.79Å; V204-P215 HydrophobicContact CG1-CG 3.97Å; V204-P215 WeakPolarHBondContact O-CD 3.23Å; V204-I276 HydrophobicContact CG2-CD1 4.1Å
205F98.9Very high98Very high0 Ų018.4 Ų18.40%012%0.116CC..EExtended strand (participates in β ladder)trans-130.1146.5175.7-69-103.1000109.2V212 I213 T214 R228 C231 I232 A264 F265 S267F205-V212 HydrophobicContact CD1-CG1 3.87Å; F205-I213 WeakPolarHBondContact CA-O 3.27Å; F205-T214 HydrophobicContact CD1-CG2 4.17Å; F205-T214 HydrophobicContact CE1-CG2 3.79Å; F205-T214 HydrophobicContact CZ-CG2 4.32Å; F205-R228 HydrophobicContact CE2-CB 4.19Å; F205-R228 HydrophobicContact CE2-CG 3.94Å; F205-R228 HydrophobicContact CZ-CB 4.18Å; F205-R228 HydrophobicContact CZ-CG 3.63Å; F205-C231 HydrophobicContact CE1-CB 4.32Å; F205-C231 HydrophobicContact CE2-CB 4.41Å; F205-C231 HydrophobicContact CZ-CB 3.91Å; F205-I232 HydrophobicContact CE1-CD1 4.45Å; F205-I232 HydrophobicContact CE1-CG1 3.8Å; F205-I232 HydrophobicContact CZ-CD1 4.39Å; F205-I232 HydrophobicContact CZ-CG1 3.99Å; F205-A264 WeakPolarHBondContact O-CA 3.46Å; F205-F265 HydrophobicContact CB-CD1 4.21Å; F205-F265 HydrophobicContact CB-CD2 3.94Å; F205-F265 HydrophobicContact CB-CE1 3.76Å; F205-F265 HydrophobicContact CB-CE2 3.46Å; F205-F265 VanDerWaalsContact CB-CE2 3.46Å; F205-F265 HydrophobicContact CB-CG 4.3Å; F205-F265 HydrophobicContact CB-CZ 3.35Å; F205-F265 HydrophobicContact CD1-CE2 4.33Å; F205-F265 HydrophobicContact CD1-CZ 4.24Å; F205-F265 HydrophobicContact CD2-CD2 4.24Å; F205-F265 AromaticContact CD2-CE2 3.74Å; F205-F265 HydrophobicContact CD2-CE2 3.74Å; F205-F265 HydrophobicContact CD2-CZ 4.38Å; F205-F265 HydrophobicContact CG-CD2 4.32Å; F205-F265 AromaticContact CG-CE2 3.58Å; F205-F265 HydrophobicContact CG-CE2 3.58Å; F205-F265 AromaticContact CG-CZ 3.76Å; F205-F265 HydrophobicContact CG-CZ 3.76Å; F205-F265 PolarHBondContact N-O 3.14Å; F205-F265 PolarHBondContact O-N 2.71Å; F205-S267 WeakPolarHBondContact CE2-OG 3.45Å
206F98.9Very high98Very high0 Ų016.4 Ų16.40%011%0.109CC..EExtended strand (participates in β ladder)trans-129.1147.7174.3-50-77.1000109L186 I196 V204 V208 V212 I213 I247 L252 F261 E263 A264 L279L186-F206 HydrophobicContact CD1-CZ 4.24Å; L186-F206 HydrophobicContact CD2-CZ 4.39Å; I196-F206 HydrophobicContact CD1-CE2 3.89Å; I196-F206 HydrophobicContact CD1-CZ 3.87Å; I196-F206 HydrophobicContact CG2-CE2 4Å; I196-F206 HydrophobicContact CG2-CZ 4.04Å; V204-F206 HydrophobicContact CB-CE2 4.48Å; V204-F206 HydrophobicContact CB-CZ 4.31Å; V204-F206 HydrophobicContact CG1-CE2 3.79Å; V204-F206 HydrophobicContact CG1-CZ 3.91Å; V204-F206 HydrophobicContact CG2-CE1 3.76Å; V204-F206 HydrophobicContact CG2-CE2 3.94Å; V204-F206 HydrophobicContact CG2-CZ 3.43Å; V204-F206 VanDerWaalsContact CG2-CZ 3.43Å; F206-V208 HydrophobicContact CB-CG2 4.46Å; F206-V212 CarbonylContact O-C 3.44Å; F206-V212 WeakPolarHBondContact O-CA 3.5Å; F206-I213 HydrophobicContact CB-CD1 4.25Å; F206-I213 HydrophobicContact CB-CG1 3.78Å; F206-I213 HydrophobicContact CD2-CG1 4.4Å; F206-I213 PolarHBondContact N-O 3.07Å; F206-I213 PolarHBondContact O-N 2.82Å; F206-I247 HydrophobicContact CD2-CD1 3.95Å; F206-I247 HydrophobicContact CE2-CD1 4.31Å; F206-L252 HydrophobicContact CB-CD2 4.23Å; F206-L252 HydrophobicContact CD1-CD1 3.67Å; F206-L252 HydrophobicContact CD2-CD1 4Å; F206-L252 HydrophobicContact CD2-CD2 4.45Å; F206-L252 HydrophobicContact CE1-CD1 3.53Å; F206-L252 HydrophobicContact CE2-CD1 3.88Å; F206-L252 HydrophobicContact CG-CD1 3.88Å; F206-L252 HydrophobicContact CG-CD2 4.14Å; F206-L252 HydrophobicContact CZ-CD1 3.63Å; F206-F261 HydrophobicContact CB-CE2 3.99Å; F206-F261 AromaticContact CD1-CE2 3.76Å; F206-F261 HydrophobicContact CD1-CE2 3.76Å; F206-F261 AromaticContact CD1-CZ 3.55Å; F206-F261 HydrophobicContact CD1-CZ 3.55Å; F206-F261 HydrophobicContact CE1-CZ 4.15Å; F206-F261 HydrophobicContact CG-CE2 4.31Å; F206-F261 HydrophobicContact CG-CZ 4.4Å; F206-E263 CarbonylContact C-O 3.56Å; F206-E263 WeakPolarHBondContact CA-O 3.3Å; F206-A264 HydrophobicContact CD1-CB 3.71Å; F206-A264 HydrophobicContact CE1-CB 4.14Å; F206-L279 HydrophobicContact CE1-CD1 4.21Å
207V98.8Very high98Very high2 Ų219.5 Ų19.51%0.01213%0.125CC..EExtended strand (participates in β ladder)trans-113.9116.7171.4-174.40000106.6E211 V212 D262 E263 F265 I296V207-E211 VanDerWaalsContact CA-O 3.3Å; V207-E211 WeakPolarHBondContact CA-O 3.5Å; V207-V212 HydrophobicContact CG2-CG2 4.26Å; V207-D262 HydrophobicContact CB-CB 4.08Å; V207-D262 HydrophobicContact CG1-CB 3.88Å; V207-D262 PolarHBondContact O-N 2.85Å; V207-E263 HydrophobicContact CB-CB 3.9Å; V207-E263 HydrophobicContact CB-CG 4.35Å; V207-E263 HydrophobicContact CG2-CB 3.74Å; V207-E263 HydrophobicContact CG2-CG 4.29Å; V207-E263 PolarHBondContact N-O 3.42Å; V207-E263 PolarHBondContact O-N 3.02Å; V207-F265 HydrophobicContact CG2-CE1 4.42Å; V207-I296 HydrophobicContact CG1-CD1 3.84Å; V207-I296 HydrophobicContact CG2-CD1 3.88Å
208V98.6Very high98Very high22 Ų2226.3 Ų26.313%0.13316%0.161CC..EExtended strand (participates in β ladder)trans-128.1117.9-177.9179.20000108.6F206 G210 E211 I213 L252 A255 K260 F261F206-V208 HydrophobicContact CB-CG2 4.46Å; V208-G210 PolarHBondContact O-N 3.03Å; V208-E211 PolarHBondContact N-O 2.8Å; V208-E211 PolarHBondContact O-N 2.71Å; V208-I213 HydrophobicContact CB-CD1 4.48Å; V208-I213 HydrophobicContact CG2-CD1 3.93Å; V208-L252 HydrophobicContact CG2-CD2 3.95Å; V208-A255 HydrophobicContact CG1-CB 3.74Å; V208-A255 HydrophobicContact CG2-CB 4.46Å; V208-K260 CarbonylContact C-O 3.46Å; V208-K260 VanDerWaalsContact CA-O 3.29Å; V208-K260 WeakPolarHBondContact CA-O 3.42Å; V208-K260 HydrophobicContact CG1-CB 4.48Å; V208-F261 HydrophobicContact CG2-CD2 4.27Å
209D97.5Very high97.8Very high122 Ų12228 Ų2865%0.65217%0.167SC*.THydrogen-bonded Turntrans51.842.2-177.6-156.520.1000111.9E211 K260 D262D209-E211 VanDerWaalsContact C-N 3.26Å; D209-E211 PolarHBondContact O-N 2.74Å; D209-K260 HydrophobicContact CB-CB 4.34Å; D209-K260 HydrophobicContact CB-CD 4.39Å; D209-K260 PolarHBondContact N-O 3.24Å; D209-D262 PolarHBondContact N-OD2 2.86Å
210G96.4Very high97.7Very high46 Ų4629.3 Ų29.347%0.47418%0.181SC..THydrogen-bonded Turntrans75.4-3.9-177.900000116.5V208 D262V208-G210 PolarHBondContact O-N 3.03Å; G210-D262 PolarHBondContact N-OD2 3.43Å
211E98.6Very high97.6Very high46 Ų4628.9 Ų28.922%0.21518%0.177CC..EExtended strand (participates in β ladder)trans-91.1133.1174.6-179.9171.4-178.800111.4V207 V208 D209 I213 K241 T243V207-E211 VanDerWaalsContact CA-O 3.3Å; V207-E211 WeakPolarHBondContact CA-O 3.5Å; V208-E211 PolarHBondContact N-O 2.8Å; V208-E211 PolarHBondContact O-N 2.71Å; D209-E211 VanDerWaalsContact C-N 3.26Å; D209-E211 PolarHBondContact O-N 2.74Å; E211-I213 HydrophobicContact CG-CG2 3.95Å; E211-K241 VanDerWaalsContact CD-CE 3.43Å; E211-K241 HydrophobicContact CG-CB 4.37Å; E211-K241 HydrophobicContact CG-CD 3.93Å; E211-K241 HydrophobicContact CG-CG 4.08Å; E211-K241 WeakPolarHBondContact OE1-CE 3.43Å; E211-K241 IonicContact OE1-NZ 3Å; E211-K241 PolarHBondContact OE1-NZ 3.31Å; E211-K241 WeakPolarHBondContact OE2-CE 3.47Å; E211-K241 IonicContact OE2-NZ 2.8Å; E211-K241 PolarHBondContact OE2-NZ 3.44Å; E211-T243 VanDerWaalsContact OE1-CB 3.22Å; E211-T243 WeakPolarHBondContact OE1-CB 3.36Å; E211-T243 PolarHBondContact OE1-OG1 3Å
212V98.9Very high97.7Very high0 Ų026.4 Ų26.40%016%0.155CC..EExtended strand (participates in β ladder)trans-86.5121173-169.70000109.6F205 F206 V207 L235 K241 V242 T243 I296F205-V212 HydrophobicContact CD1-CG1 3.87Å; F206-V212 CarbonylContact O-C 3.44Å; F206-V212 WeakPolarHBondContact O-CA 3.5Å; V207-V212 HydrophobicContact CG2-CG2 4.26Å; V212-L235 HydrophobicContact CB-CD1 4.3Å; V212-L235 HydrophobicContact CG1-CD1 3.81Å; V212-L235 HydrophobicContact CG2-CD1 4.19Å; V212-L235 HydrophobicContact CG2-CD2 4.45Å; V212-K241 PolarHBondContact N-O 2.89Å; V212-V242 HydrophobicContact CB-CG2 4.32Å; V212-V242 CarbonylContact O-C 3.48Å; V212-V242 VanDerWaalsContact O-CA 3.29Å; V212-V242 WeakPolarHBondContact O-CA 3.27Å; V212-T243 PolarHBondContact O-N 2.95Å; V212-I296 HydrophobicContact CG2-CD1 4.19Å; V212-I296 HydrophobicContact CG2-CG2 4.43Å
213I98.8Very high97.7Very high2 Ų226 Ų261%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-119.2143.4177.663.4176.7000110.9F205 F206 V208 E211 T243 I247 L252F205-I213 WeakPolarHBondContact CA-O 3.27Å; F206-I213 HydrophobicContact CB-CD1 4.25Å; F206-I213 HydrophobicContact CB-CG1 3.78Å; F206-I213 HydrophobicContact CD2-CG1 4.4Å; F206-I213 PolarHBondContact N-O 3.07Å; F206-I213 PolarHBondContact O-N 2.82Å; V208-I213 HydrophobicContact CB-CD1 4.48Å; V208-I213 HydrophobicContact CG2-CD1 3.93Å; E211-I213 HydrophobicContact CG-CG2 3.95Å; I213-T243 WeakPolarHBondContact CA-O 3.37Å; I213-I247 HydrophobicContact CB-CD1 3.98Å; I213-I247 HydrophobicContact CD1-CD1 3.93Å; I213-I247 HydrophobicContact CD1-CG1 4.33Å; I213-I247 HydrophobicContact CD1-CG2 4.23Å; I213-I247 HydrophobicContact CG1-CD1 3.81Å; I213-L252 HydrophobicContact CD1-CD2 4.28Å
214T98.9Very high97.7Very high1 Ų127.1 Ų27.11%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-145146.7175.1-175.70000109.9V204 F205 S216 I232 T243 E244 R245V204-T214 WeakPolarHBondContact O-CB 3.43Å; V204-T214 PolarHBondContact O-OG1 2.79Å; F205-T214 HydrophobicContact CD1-CG2 4.17Å; F205-T214 HydrophobicContact CE1-CG2 3.79Å; F205-T214 HydrophobicContact CZ-CG2 4.32Å; T214-S216 PolarHBondContact O-N 3.04Å; T214-I232 HydrophobicContact CG2-CD1 4.13Å; T214-T243 PolarHBondContact N-O 3.48Å; T214-T243 VanDerWaalsContact N-O 3.09Å; T214-E244 HydrophobicContact CG2-CG 3.83Å; T214-E244 WeakPolarHBondContact O-CA 3.49Å; T214-R245 PolarHBondContact O-N 3Å; T214-R245 VanDerWaalsContact O-N 3.16Å
215P98.6Very high97.7Very high2 Ų227.5 Ų27.51%0.01317%0.17CC..  trans-51.4135.3174.6-30.839.8000112.6I196 V204 I222 R228 R245 I247I196-P215 HydrophobicContact CB-CG 4.41Å; I196-P215 HydrophobicContact CG2-CG 4.12Å; I196-P215 WeakPolarHBondContact O-CB 3.45Å; I196-P215 VanDerWaalsContact O-CG 3.23Å; I196-P215 WeakPolarHBondContact O-CG 3.23Å; V204-P215 HydrophobicContact CG1-CG 3.97Å; V204-P215 WeakPolarHBondContact O-CD 3.23Å; P215-I222 HydrophobicContact CB-CD1 3.36Å; P215-I222 HydrophobicContact CG-CD1 4.47Å; P215-R228 PolarHBondContact O-NH2 3.4Å; P215-R245 VanDerWaalsContact CA-O 3.25Å; P215-R245 WeakPolarHBondContact CA-O 3.46Å; P215-I247 HydrophobicContact CG-CD1 4.31Å
216S98.1Very high97.7Very high4 Ų428 Ų283%0.02817%0.173CC..  trans-75.5158.4175.986.20000111.6T214 D218 I222 R245T214-S216 PolarHBondContact O-N 3.04Å; S216-D218 VanDerWaalsContact C-N 3.29Å; S216-D218 VanDerWaalsContact CB-OD2 3.32Å; S216-D218 WeakPolarHBondContact CB-OD2 3.43Å; S216-D218 PolarHBondContact OG-N 3.04Å; S216-D218 PolarHBondContact OG-OD2 3.12Å; S216-I222 WeakPolarHBondContact O-CD1 3.45Å; S216-R245 PolarHBondContact N-O 3.46Å; S216-R245 VanDerWaalsContact N-O 3.14Å
217L98Very high97.6Very high64 Ų6428.4 Ų28.434%0.33518%0.175SC..SBendtrans-86.3-0.9177.6-56.6-176.9000112.7R219 G220 I222L217-R219 VanDerWaalsContact C-N 3.29Å; L217-R219 PolarHBondContact O-N 3.23Å; L217-G220 PolarHBondContact O-N 3.01Å; L217-I222 HydrophobicContact CD2-CB 3.9Å; L217-I222 HydrophobicContact CD2-CG2 3.68Å
218D96.8Very high97.6Very high145 Ų14528.8 Ų28.878%0.77518%0.177SC*.THydrogen-bonded Turntrans-65.2-31.1-168-55.8-42000113S216 G220S216-D218 VanDerWaalsContact C-N 3.29Å; S216-D218 VanDerWaalsContact CB-OD2 3.32Å; S216-D218 WeakPolarHBondContact CB-OD2 3.43Å; S216-D218 PolarHBondContact OG-N 3.04Å; S216-D218 PolarHBondContact OG-OD2 3.12Å; D218-G220 PolarHBondContact O-N 3.47Å
219R93.7Very high97.6Very high38 Ų3831.7 Ų31.714%0.14319%0.187CC..THydrogen-bonded Turntrans-68-12175.8-70.7-167.4-76.5129.2-1.8113.5T155 I196 D197 L217 C221 D246T155-R219 WeakPolarHBondContact CB-O 3.5Å; T155-R219 VanDerWaalsContact CG2-O 3.31Å; T155-R219 WeakPolarHBondContact CG2-O 3.21Å; T155-R219 PolarHBondContact OG1-O 3.35Å; I196-R219 PolarHBondContact O-NH2 2.94Å; D197-R219 IonicContact OD1-CZ 2.77Å; D197-R219 IonicContact OD1-NH1 2.75Å; D197-R219 PolarHBondContact OD1-NH1 2.7Å; D197-R219 IonicContact OD1-NH2 3.67Å; D197-R219 PolarHBondContact OD1-NH2 2.93Å; L217-R219 VanDerWaalsContact C-N 3.29Å; L217-R219 PolarHBondContact O-N 3.23Å; R219-C221 PolarHBondContact O-N 3.22Å; R219-D246 IonicContact CZ-OD1 2.9Å; R219-D246 IonicContact NE-OD1 3.42Å; R219-D246 PolarHBondContact NE-OD1 2.85Å; R219-D246 IonicContact NE-OD2 2.69Å; R219-D246 IonicContact NH2-OD1 2.95Å
220G95.1Very high97.7Very high29 Ų2925.9 Ų25.930%0.29916%0.156SC..SBendtrans64.523.4178.800000113.7F160 L217 D218F160-G220 WeakPolarHBondContact CD1-O 3.21Å; L217-G220 PolarHBondContact O-N 3.01Å; D218-G220 PolarHBondContact O-N 3.47Å
221C94.2Very high97.8Very high2 Ų223.7 Ų23.71%0.01413%0.134CC..  trans-125.211-178.966.90000113.2R152 A153 R219R152-C221 PolarHBondContact NH2-O 3.5Å; A153-C221 HydrophobicContact CB-CB 4.32Å; R219-C221 PolarHBondContact O-N 3.22Å
222I97.9Very high97.8Very high4 Ų421.9 Ų21.92%0.02113%0.125CC..SBendtrans-119.2136.4178.8-61.8-177.4000108.7F160 D197 E198 N203 P215 S216 L217 G224F160-I222 WeakPolarHBondContact CA-O 3.36Å; D197-I222 HydrophobicContact CB-CD1 4.29Å; D197-I222 HydrophobicContact CB-CG1 4.13Å; E198-I222 HydrophobicContact CG-CG2 3.88Å; N203-I222 WeakPolarHBondContact ND2-CG2 3.34Å; P215-I222 HydrophobicContact CB-CD1 3.36Å; P215-I222 HydrophobicContact CG-CD1 4.47Å; S216-I222 WeakPolarHBondContact O-CD1 3.45Å; L217-I222 HydrophobicContact CD2-CB 3.9Å; L217-I222 HydrophobicContact CD2-CG2 3.68Å; I222-G224 PolarHBondContact O-N 3.5Å
223L98.4Very high97.8Very high11 Ų1124.7 Ų24.76%0.05814%0.138CC..  trans-67.7127.1177.2-176.463.6000110.4G159 F160 E198 N203 G225G159-L223 PolarHBondContact O-N 3.4Å; F160-L223 WeakPolarHBondContact O-CD1 3.42Å; E198-L223 PolarHBondContact OE1-N 3.09Å; N203-L223 PolarHBondContact ND2-O 2.87Å; N203-L223 PolarHBondContact OD1-O 3.31Å; L223-G225 VanDerWaalsContact C-N 3.3Å; L223-G225 PolarHBondContact O-N 3.29Å
224G97.9Very high97.8Very high28 Ų2824.8 Ų24.829%0.28914%0.139SC..  trans-69.182.1171.700000111.8R60 I222 I226R60-G224 WeakPolarHBondContact CD-O 3.37Å; R60-G224 PolarHBondContact NH1-O 3.46Å; R60-G224 VanDerWaalsContact NH1-O 3.14Å; I222-G224 PolarHBondContact O-N 3.5Å; G224-I226 PolarHBondContact O-N 3.02Å
225G98.3Very high97.8Very high9 Ų924.8 Ų24.89%0.09314%0.139CC..  trans-64.4133.4179.700000112.8N203 L223 T227 R228 K229N203-G225 WeakPolarHBondContact OD1-CA 3.45Å; N203-G225 PolarHBondContact OD1-N 2.69Å; L223-G225 VanDerWaalsContact C-N 3.3Å; L223-G225 PolarHBondContact O-N 3.29Å; G225-T227 VanDerWaalsContact C-N 3.32Å; G225-R228 WeakPolarHBondContact O-CB 3.35Å; G225-R228 PolarHBondContact O-N 2.9Å; G225-K229 WeakPolarHBondContact O-CB 3.27Å; G225-K229 PolarHBondContact O-N 2.95Å
226I98.7Very high97.8Very high12 Ų1230.6 Ų30.66%0.06216%0.161CC..Hα-helixtrans-67.2-38.5173.9-62.2164000110R53 Q56 N57 G224 K229 S230R53-I226 HydrophobicContact CB-CG2 3.85Å; R53-I226 HydrophobicContact CG-CG2 4.37Å; Q56-I226 HydrophobicContact CB-CD1 3.86Å; Q56-I226 HydrophobicContact CB-CG1 3.92Å; Q56-I226 HydrophobicContact CB-CG2 4.22Å; N57-I226 HydrophobicContact CB-CD1 4.09Å; N57-I226 VanDerWaalsContact ND2-CD1 3.29Å; N57-I226 WeakPolarHBondContact ND2-CD1 3.29Å; N57-I226 WeakPolarHBondContact OD1-CD1 3.42Å; G224-I226 PolarHBondContact O-N 3.02Å; I226-K229 PolarHBondContact O-N 3.08Å; I226-S230 PolarHBondContact O-N 3.48Å; I226-S230 PolarHBondContact O-OG 3.31Å
227T98.4Very high97.7Very high8 Ų835.7 Ų35.75%0.04918%0.184CC..Hα-helixtrans-64-43.7172-41.80000111.4G225 K229 S230 C231 T269 V272 L304G225-T227 VanDerWaalsContact C-N 3.32Å; T227-K229 VanDerWaalsContact C-N 3.34Å; T227-K229 PolarHBondContact O-N 3.39Å; T227-S230 PolarHBondContact O-N 3.03Å; T227-C231 WeakPolarHBondContact O-CB 3.42Å; T227-C231 PolarHBondContact O-N 2.8Å; T227-C231 PolarHBondContact O-SG 3Å; T227-T269 PolarHBondContact OG1-N 3Å; T227-V272 HydrophobicContact CG2-CG1 4.46Å; T227-V272 WeakPolarHBondContact CG2-O 3.34Å; T227-L304 HydrophobicContact CG2-CD1 4.23Å
228R98.7Very high97.7Very high10 Ų1035.6 Ų35.64%0.03818%0.182CC..Hα-helixtrans-53.6-50.9171.9176.1-163.3-177.3-83.91.9111.3N203 F205 P215 G225 S230 C231 I232 E244N203-R228 HydrophobicContact CB-CB 3.83Å; N203-R228 HydrophobicContact CB-CG 4.07Å; N203-R228 WeakPolarHBondContact OD1-CB 3.38Å; F205-R228 HydrophobicContact CE2-CB 4.19Å; F205-R228 HydrophobicContact CE2-CG 3.94Å; F205-R228 HydrophobicContact CZ-CB 4.18Å; F205-R228 HydrophobicContact CZ-CG 3.63Å; P215-R228 PolarHBondContact O-NH2 3.4Å; G225-R228 WeakPolarHBondContact O-CB 3.35Å; G225-R228 PolarHBondContact O-N 2.9Å; R228-S230 PolarHBondContact O-N 3.48Å; R228-C231 PolarHBondContact O-N 2.76Å; R228-I232 HydrophobicContact CG-CD1 3.95Å; R228-I232 WeakPolarHBondContact O-CG1 3.35Å; R228-I232 PolarHBondContact O-N 3.44Å; R228-E244 IonicContact CZ-OE2 2.61Å; R228-E244 IonicContact NH1-OE2 3.87Å; R228-E244 PolarHBondContact NH1-OE2 3.4Å; R228-E244 IonicContact NH2-OE2 3.12Å; R228-E244 PolarHBondContact NH2-OE2 3.26Å
229K98.6Very high97.8Very high83 Ų8331.9 Ų31.936%0.36118%0.178SC..Hα-helixtrans-56.5-49.9178.3-176.5-179.6177.7176.70111.1G225 I226 T227 C231 I232 E233G225-K229 WeakPolarHBondContact O-CB 3.27Å; G225-K229 PolarHBondContact O-N 2.95Å; I226-K229 PolarHBondContact O-N 3.08Å; T227-K229 VanDerWaalsContact C-N 3.34Å; T227-K229 PolarHBondContact O-N 3.39Å; K229-C231 PolarHBondContact O-N 3.01Å; K229-I232 PolarHBondContact O-N 3.48Å; K229-E233 VanDerWaalsContact CE-OE1 3.27Å; K229-E233 WeakPolarHBondContact CE-OE1 3.43Å; K229-E233 VanDerWaalsContact CG-OE1 3.29Å; K229-E233 WeakPolarHBondContact CG-OE1 3.48Å; K229-E233 WeakPolarHBondContact O-CG 3.38Å; K229-E233 PolarHBondContact O-N 3.08Å
230S98.7Very high98Very high0 Ų033 Ų330%018%0.183CC..Hα-helixtrans-62.5-39.6176.6-71.10000113.4F52 R53 I226 T227 R228 I232 E233 L234F52-S230 WeakPolarHBondContact CZ-OG 3.48Å; R53-S230 WeakPolarHBondContact CD-OG 3.29Å; R53-S230 PolarHBondContact NH1-OG 2.88Å; I226-S230 PolarHBondContact O-N 3.48Å; I226-S230 PolarHBondContact O-OG 3.31Å; T227-S230 PolarHBondContact O-N 3.03Å; R228-S230 PolarHBondContact O-N 3.48Å; S230-I232 PolarHBondContact O-N 3.14Å; S230-E233 PolarHBondContact O-N 2.91Å; S230-L234 WeakPolarHBondContact O-CB 3.27Å; S230-L234 PolarHBondContact O-N 3.18Å
231C98.7Very high98.2Very high0 Ų037.8 Ų37.80%020%0.196CC..Hα-helixtrans-59.9-46.2175-700000111.4F205 T227 R228 K229 L234 L235 L300F205-C231 HydrophobicContact CE1-CB 4.32Å; F205-C231 HydrophobicContact CE2-CB 4.41Å; F205-C231 HydrophobicContact CZ-CB 3.91Å; T227-C231 WeakPolarHBondContact O-CB 3.42Å; T227-C231 PolarHBondContact O-N 2.8Å; T227-C231 PolarHBondContact O-SG 3Å; R228-C231 PolarHBondContact O-N 2.76Å; K229-C231 PolarHBondContact O-N 3.01Å; C231-L234 PolarHBondContact O-N 2.8Å; C231-L235 VanDerWaalsContact O-CB 3.27Å; C231-L235 WeakPolarHBondContact O-CB 3.38Å; C231-L235 WeakPolarHBondContact O-CD1 3.47Å; C231-L235 WeakPolarHBondContact O-CG 3.4Å; C231-L235 PolarHBondContact O-N 2.73Å; C231-L300 HydrophobicContact CB-CD1 4.36Å; C231-L300 HydrophobicContact CB-CD2 4.21Å
232I98.8Very high98.4Very high8 Ų838.3 Ų38.34%0.04120%0.198CC..Hα-helixtrans-63.7-48.1179.9-66.5165.7000111F205 T214 R228 K229 S230 L234 R236 V242 E244F205-I232 HydrophobicContact CE1-CD1 4.45Å; F205-I232 HydrophobicContact CE1-CG1 3.8Å; F205-I232 HydrophobicContact CZ-CD1 4.39Å; F205-I232 HydrophobicContact CZ-CG1 3.99Å; T214-I232 HydrophobicContact CG2-CD1 4.13Å; R228-I232 HydrophobicContact CG-CD1 3.95Å; R228-I232 WeakPolarHBondContact O-CG1 3.35Å; R228-I232 PolarHBondContact O-N 3.44Å; K229-I232 PolarHBondContact O-N 3.48Å; S230-I232 PolarHBondContact O-N 3.14Å; I232-L234 VanDerWaalsContact C-N 3.32Å; I232-L234 PolarHBondContact O-N 3.36Å; I232-R236 WeakPolarHBondContact O-CB 3.49Å; I232-R236 WeakPolarHBondContact O-CG 3.3Å; I232-R236 PolarHBondContact O-N 2.93Å; I232-R236 VanDerWaalsContact O-N 3.08Å; I232-V242 HydrophobicContact CB-CG1 4.48Å; I232-V242 HydrophobicContact CG1-CG1 4.11Å; I232-V242 HydrophobicContact CG2-CG1 4.12Å; I232-E244 HydrophobicContact CD1-CG 4.09Å
233E98.5Very high98.4Very high58 Ų5840 Ų4027%0.27121%0.209SC..Hα-helixtrans-57.1-46.8177-71.6179.9-126.400110.7R53 K229 S230 H237 W318R53-E233 IonicContact CZ-OE1 3.25Å; R53-E233 IonicContact NH1-OE1 3.05Å; R53-E233 PolarHBondContact NH1-OE1 2.98Å; R53-E233 IonicContact NH2-OE1 3.91Å; R53-E233 PolarHBondContact NH2-OE1 2.89Å; R53-E233 IonicContact NH2-OE2 2.76Å; K229-E233 VanDerWaalsContact CE-OE1 3.27Å; K229-E233 WeakPolarHBondContact CE-OE1 3.43Å; K229-E233 VanDerWaalsContact CG-OE1 3.29Å; K229-E233 WeakPolarHBondContact CG-OE1 3.48Å; K229-E233 WeakPolarHBondContact O-CG 3.38Å; K229-E233 PolarHBondContact O-N 3.08Å; S230-E233 PolarHBondContact O-N 2.91Å; E233-H237 WeakPolarHBondContact O-CB 3.18Å; E233-H237 PolarHBondContact O-N 2.93Å; E233-W318 HydrophobicContact CB-CH2 4.2Å; E233-W318 HydrophobicContact CB-CZ2 3.8Å; E233-W318 HydrophobicContact CG-CZ2 4.41Å; E233-W318 VanDerWaalsContact OE2-CZ2 3.32Å; E233-W318 WeakPolarHBondContact OE2-CZ2 3.49Å; E233-W318 PolarHBondContact OE2-NE1 3.28Å
234L98.3Very high98.4Very high4 Ų442.8 Ų42.82%0.02122%0.222CC..Hα-helixtrans-69.6-44.3-176.9-168.266.3000113.1S230 C231 I232 R236 H237 M238 L300 T303 L304 F316 W318S230-L234 WeakPolarHBondContact O-CB 3.27Å; S230-L234 PolarHBondContact O-N 3.18Å; C231-L234 PolarHBondContact O-N 2.8Å; I232-L234 VanDerWaalsContact C-N 3.32Å; I232-L234 PolarHBondContact O-N 3.36Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-R236 PolarHBondContact O-N 3.23Å; L234-H237 WeakPolarHBondContact O-CB 3.46Å; L234-H237 PolarHBondContact O-N 2.89Å; L234-M238 HydrophobicContact CD1-CE 3.86Å; L234-M238 HydrophobicContact CD2-CE 3.89Å; L234-M238 HydrophobicContact CG-CE 3.61Å; L234-M238 HydrophobicContact CG-SD 4.23Å; L234-M238 WeakPolarHBondContact O-CB 3.43Å; L234-M238 VanDerWaalsContact O-CG 3.28Å; L234-M238 WeakPolarHBondContact O-CG 3.28Å; L234-M238 PolarHBondContact O-N 3.32Å; L234-L300 HydrophobicContact CB-CD2 4.43Å; L234-L300 HydrophobicContact CD2-CD2 3.91Å; L234-T303 HydrophobicContact CD1-CG2 3.96Å; L234-T303 HydrophobicContact CD2-CG2 3.7Å; L234-T303 HydrophobicContact CG-CG2 4.35Å; L234-L304 HydrophobicContact CD2-CD2 4.32Å; L234-L304 HydrophobicContact CD2-CG 4.19Å; L234-F316 HydrophobicContact CD1-CE2 3.79Å; L234-F316 HydrophobicContact CD1-CZ 4.1Å; L234-W318 HydrophobicContact CB-CH2 4.39Å
235L98.5Very high98.5Very high2 Ų245 Ų451%0.0122%0.222CC..Hα-helixtrans-61.3-44.1177.2-76169.2000111.4V212 C231 M238 G239 Y240 V242 I296 L300V212-L235 HydrophobicContact CB-CD1 4.3Å; V212-L235 HydrophobicContact CG1-CD1 3.81Å; V212-L235 HydrophobicContact CG2-CD1 4.19Å; V212-L235 HydrophobicContact CG2-CD2 4.45Å; C231-L235 VanDerWaalsContact O-CB 3.27Å; C231-L235 WeakPolarHBondContact O-CB 3.38Å; C231-L235 WeakPolarHBondContact O-CD1 3.47Å; C231-L235 WeakPolarHBondContact O-CG 3.4Å; C231-L235 PolarHBondContact O-N 2.73Å; L235-M238 CarbonylContact O-C 3.54Å; L235-M238 PolarHBondContact O-N 3.26Å; L235-G239 PolarHBondContact O-N 3.04Å; L235-Y240 HydrophobicContact CD2-CD2 3.74Å; L235-Y240 HydrophobicContact CD2-CE2 4.26Å; L235-Y240 HydrophobicContact CD2-CG 4.11Å; L235-Y240 WeakPolarHBondContact O-CB 3.39Å; L235-Y240 PolarHBondContact O-N 2.88Å; L235-V242 HydrophobicContact CB-CG2 3.47Å; L235-V242 VanDerWaalsContact CB-CG2 3.47Å; L235-V242 HydrophobicContact CD1-CG2 4.07Å; L235-V242 HydrophobicContact CG-CG2 4.43Å; L235-I296 HydrophobicContact CD2-CG2 3.62Å; L235-L300 HydrophobicContact CD1-CD1 4.09Å; L235-L300 HydrophobicContact CD2-CD1 4.1Å; L235-L300 HydrophobicContact CD2-CD2 4.07Å; L235-L300 HydrophobicContact CD2-CG 4.03Å; L235-L300 HydrophobicContact CG-CD1 4.17Å; L235-L300 HydrophobicContact CG-CD2 3.88Å; L235-L300 HydrophobicContact CG-CG 4.27Å
236R98.5Very high98.4Very high124 Ų12447.5 Ų47.547%0.46823%0.233SC..Hα-helixtrans-63-43175.6-73.1177.9178.5151.68.1111.2I232 L234 M238 G239 V242 E244I232-R236 WeakPolarHBondContact O-CB 3.49Å; I232-R236 WeakPolarHBondContact O-CG 3.3Å; I232-R236 PolarHBondContact O-N 2.93Å; I232-R236 VanDerWaalsContact O-N 3.08Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-R236 PolarHBondContact O-N 3.23Å; R236-M238 VanDerWaalsContact C-N 3.28Å; R236-M238 PolarHBondContact O-N 3.45Å; R236-G239 PolarHBondContact O-N 2.84Å; R236-V242 HydrophobicContact CG-CB 4.06Å; R236-V242 HydrophobicContact CG-CG2 3.91Å; R236-V242 PolarHBondContact NH2-O 3.2Å; R236-E244 IonicContact CZ-OE1 3.75Å; R236-E244 IonicContact NH1-OE1 3.6Å; R236-E244 IonicContact NH2-OE1 3.86Å; R236-E244 PolarHBondContact NH2-OE1 3.36Å
237H97.9Very high98.4Very high110 Ų11046.9 Ų46.951%0.50923%0.23SC..Hα-helixtrans-60.2-37.8175176.289000112.3E233 L234 G239 E315 F316E233-H237 WeakPolarHBondContact O-CB 3.18Å; E233-H237 PolarHBondContact O-N 2.93Å; L234-H237 WeakPolarHBondContact O-CB 3.46Å; L234-H237 PolarHBondContact O-N 2.89Å; H237-G239 PolarHBondContact O-N 3.03Å; H237-E315 IonicContact CE1-OE2 3.23Å; H237-E315 IonicContact NE2-OE2 3.4Å; H237-F316 HydrophobicContact CB-CE1 4.23Å; H237-F316 HydrophobicContact CB-CZ 3.81Å; H237-F316 AromaticContact CG-CZ 3.68Å; H237-F316 AromaticContact ND1-CZ 3.95Å
238M97.2Very high98.4Very high63 Ų6349.9 Ų49.931%0.3124%0.243SC..THydrogen-bonded Turntrans-75.60.5174.8-68.8173.5179.200114.2L234 L235 R236 Y240 K299 T303L234-M238 HydrophobicContact CD1-CE 3.86Å; L234-M238 HydrophobicContact CD2-CE 3.89Å; L234-M238 HydrophobicContact CG-CE 3.61Å; L234-M238 HydrophobicContact CG-SD 4.23Å; L234-M238 WeakPolarHBondContact O-CB 3.43Å; L234-M238 VanDerWaalsContact O-CG 3.28Å; L234-M238 WeakPolarHBondContact O-CG 3.28Å; L234-M238 PolarHBondContact O-N 3.32Å; L235-M238 CarbonylContact O-C 3.54Å; L235-M238 PolarHBondContact O-N 3.26Å; R236-M238 VanDerWaalsContact C-N 3.28Å; R236-M238 PolarHBondContact O-N 3.45Å; M238-Y240 HydrophobicContact CB-CD2 3.76Å; M238-Y240 HydrophobicContact CB-CE2 3.85Å; M238-Y240 HydrophobicContact SD-CE2 4.37Å; M238-K299 HydrophobicContact CE-CD 4.26Å; M238-K299 HydrophobicContact CE-CG 4.2Å; M238-K299 HydrophobicContact SD-CD 3.63Å; M238-K299 HydrophobicContact SD-CG 4.09Å; M238-T303 HydrophobicContact CE-CG2 3.74Å; M238-T303 WeakPolarHBondContact CE-OG1 3.43Å
239G98Very high98.4Very high67 Ų6749.5 Ų49.569%0.69124%0.242SC*.THydrogen-bonded Turntrans85.79.5177.400000115.4L235 R236 H237L235-G239 PolarHBondContact O-N 3.04Å; R236-G239 PolarHBondContact O-N 2.84Å; H237-G239 PolarHBondContact O-N 3.03Å
240Y98.4Very high98.4Very high61 Ų6147.5 Ų47.524%0.23925%0.245CC..  trans-75143173.6-66.7-84000111.2L235 M238 V242 I296 K299L235-Y240 HydrophobicContact CD2-CD2 3.74Å; L235-Y240 HydrophobicContact CD2-CE2 4.26Å; L235-Y240 HydrophobicContact CD2-CG 4.11Å; L235-Y240 WeakPolarHBondContact O-CB 3.39Å; L235-Y240 PolarHBondContact O-N 2.88Å; M238-Y240 HydrophobicContact CB-CD2 3.76Å; M238-Y240 HydrophobicContact CB-CE2 3.85Å; M238-Y240 HydrophobicContact SD-CE2 4.37Å; Y240-V242 PolarHBondContact O-N 2.59Å; Y240-I296 HydrophobicContact CD1-CD1 3.97Å; Y240-I296 HydrophobicContact CD1-CG1 4.43Å; Y240-I296 HydrophobicContact CE1-CD1 3.66Å; Y240-I296 HydrophobicContact CE1-CG1 3.74Å; Y240-K299 HydrophobicContact CE2-CD 4.46Å; Y240-K299 PolarHBondContact OH-NZ 2.76Å
241K98.6Very high98.4Very high130 Ų13050.8 Ų50.857%0.56526%0.26SS*.  trans-73.9119.5167.5-173.5-176.4176.4-157.90108.8E211 V212E211-K241 VanDerWaalsContact CD-CE 3.43Å; E211-K241 HydrophobicContact CG-CB 4.37Å; E211-K241 HydrophobicContact CG-CD 3.93Å; E211-K241 HydrophobicContact CG-CG 4.08Å; E211-K241 WeakPolarHBondContact OE1-CE 3.43Å; E211-K241 IonicContact OE1-NZ 3Å; E211-K241 PolarHBondContact OE1-NZ 3.31Å; E211-K241 WeakPolarHBondContact OE2-CE 3.47Å; E211-K241 IonicContact OE2-NZ 2.8Å; E211-K241 PolarHBondContact OE2-NZ 3.44Å; V212-K241 PolarHBondContact N-O 2.89Å
242V98.8Very high98.3Very high12 Ų1250.8 Ų50.87%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-122.9115.3179.7-171.50000110.4V212 I232 L235 R236 Y240V212-V242 HydrophobicContact CB-CG2 4.32Å; V212-V242 CarbonylContact O-C 3.48Å; V212-V242 VanDerWaalsContact O-CA 3.29Å; V212-V242 WeakPolarHBondContact O-CA 3.27Å; I232-V242 HydrophobicContact CB-CG1 4.48Å; I232-V242 HydrophobicContact CG1-CG1 4.11Å; I232-V242 HydrophobicContact CG2-CG1 4.12Å; L235-V242 HydrophobicContact CB-CG2 3.47Å; L235-V242 VanDerWaalsContact CB-CG2 3.47Å; L235-V242 HydrophobicContact CD1-CG2 4.07Å; L235-V242 HydrophobicContact CG-CG2 4.43Å; R236-V242 HydrophobicContact CG-CB 4.06Å; R236-V242 HydrophobicContact CG-CG2 3.91Å; R236-V242 PolarHBondContact NH2-O 3.2Å; Y240-V242 PolarHBondContact O-N 2.59Å
243T98.8Very high98.3Very high40 Ų4051.6 Ų51.625%0.24527%0.265CS..EExtended strand (participates in β ladder)trans-113125.4-178.8-61.40000111E211 V212 I213 T214 R245E211-T243 VanDerWaalsContact OE1-CB 3.22Å; E211-T243 WeakPolarHBondContact OE1-CB 3.36Å; E211-T243 PolarHBondContact OE1-OG1 3Å; V212-T243 PolarHBondContact O-N 2.95Å; I213-T243 WeakPolarHBondContact CA-O 3.37Å; T214-T243 PolarHBondContact N-O 3.48Å; T214-T243 VanDerWaalsContact N-O 3.09Å; T243-R245 HydrophobicContact CG2-CB 4.31Å; T243-R245 HydrophobicContact CG2-CG 3.99Å
244E98.8Very high98.3Very high70 Ų7055 Ų5533%0.32728%0.279SS..EExtended strand (participates in β ladder)trans-99.1113.8173.1-62.5174.4-106.800107.8T214 R228 I232 R236T214-E244 HydrophobicContact CG2-CG 3.83Å; T214-E244 WeakPolarHBondContact O-CA 3.49Å; R228-E244 IonicContact CZ-OE2 2.61Å; R228-E244 IonicContact NH1-OE2 3.87Å; R228-E244 PolarHBondContact NH1-OE2 3.4Å; R228-E244 IonicContact NH2-OE2 3.12Å; R228-E244 PolarHBondContact NH2-OE2 3.26Å; I232-E244 HydrophobicContact CD1-CG 4.09Å; R236-E244 IonicContact CZ-OE1 3.75Å; R236-E244 IonicContact NH1-OE1 3.6Å; R236-E244 IonicContact NH2-OE1 3.86Å; R236-E244 PolarHBondContact NH2-OE1 3.36Å
245R98.4Very high98.3Very high75 Ų7555.1 Ų55.128%0.28328%0.281SS..  trans-158.9171.2-179.762.6173.1175.389.6-4.9111.3T214 P215 S216 T243 I247 E251T214-R245 PolarHBondContact O-N 3Å; T214-R245 VanDerWaalsContact O-N 3.16Å; P215-R245 VanDerWaalsContact CA-O 3.25Å; P215-R245 WeakPolarHBondContact CA-O 3.46Å; S216-R245 PolarHBondContact N-O 3.46Å; S216-R245 VanDerWaalsContact N-O 3.14Å; T243-R245 HydrophobicContact CG2-CB 4.31Å; T243-R245 HydrophobicContact CG2-CG 3.99Å; R245-I247 HydrophobicContact CG-CG1 4.35Å; R245-E251 IonicContact CZ-OE1 3.35Å; R245-E251 IonicContact CZ-OE2 3.81Å; R245-E251 IonicContact NH1-OE1 2.7Å; R245-E251 IonicContact NH1-OE2 2.71Å; R245-E251 PolarHBondContact NH1-OE2 2.93Å; R245-E251 IonicContact NH2-OE1 3.95Å; R245-E251 PolarHBondContact NH2-OE1 3.22Å; R245-E251 IonicContact NH2-OE2 3.74Å; R245-E251 PolarHBondContact NH2-OE2 3.46Å
246D97.9Very high98.4Very high60 Ų6058.4 Ų58.432%0.32129%0.294SS..  trans-65.8136.1164.2-73.9-29.6000110.8Y195 R219Y195-D246 HydrophobicContact CD1-CB 3.81Å; Y195-D246 HydrophobicContact CE1-CB 4.13Å; R219-D246 IonicContact CZ-OD1 2.9Å; R219-D246 IonicContact NE-OD1 3.42Å; R219-D246 PolarHBondContact NE-OD1 2.85Å; R219-D246 IonicContact NE-OD2 2.69Å; R219-D246 IonicContact NH2-OD1 2.95Å
247I98.5Very high98.3Very high0 Ų057.2 Ų57.20%030%0.297CS..  trans-124.5117.7-177.5-55.4171.5000107.4Y195 I196 F206 I213 P215 R245 L252Y195-I247 CarbonylContact C-O 3.43Å; Y195-I247 WeakPolarHBondContact CA-O 3.39Å; I196-I247 HydrophobicContact CD1-CG2 4.01Å; I196-I247 PolarHBondContact N-O 2.78Å; F206-I247 HydrophobicContact CD2-CD1 3.95Å; F206-I247 HydrophobicContact CE2-CD1 4.31Å; I213-I247 HydrophobicContact CB-CD1 3.98Å; I213-I247 HydrophobicContact CD1-CD1 3.93Å; I213-I247 HydrophobicContact CD1-CG1 4.33Å; I213-I247 HydrophobicContact CD1-CG2 4.23Å; I213-I247 HydrophobicContact CG1-CD1 3.81Å; P215-I247 HydrophobicContact CG-CD1 4.31Å; R245-I247 HydrophobicContact CG-CG1 4.35Å; I247-L252 HydrophobicContact CG2-CD2 4.21Å; I247-L252 HydrophobicContact CG2-CG 4.19Å
248E98.2Very high98.4Very high70 Ų7056.5 Ų56.533%0.32729%0.294SS..BIsolated β-bridgetrans-80.9137174.2-65.2-167.1-166.600110.2K194 Y195 G250 E251K194-E248 HydrophobicContact CD-CG 4.44Å; K194-E248 IonicContact NZ-OE1 3.79Å; K194-E248 PolarHBondContact NZ-OE1 3.25Å; K194-E248 IonicContact NZ-OE2 2.75Å; K194-E248 PolarHBondContact NZ-OE2 3.36Å; K194-E248 VanDerWaalsContact NZ-OE2 3.15Å; K194-E248 CarbonylContact O-C 3.57Å; K194-E248 WeakPolarHBondContact O-CA 3.15Å; Y195-E248 HydrophobicContact CD1-CG 3.62Å; Y195-E248 HydrophobicContact CE1-CG 3.32Å; Y195-E248 WeakPolarHBondContact CE1-OE1 3.26Å; Y195-E248 PolarHBondContact OH-OE1 2.62Å; Y195-E248 VanDerWaalsContact OH-OE1 3.09Å; E248-G250 PolarHBondContact O-N 2.85Å; E248-E251 WeakPolarHBondContact O-CB 3.22Å; E248-E251 PolarHBondContact O-N 3.01Å
249I98.4Very high98.4Very high2 Ų256.7 Ų56.71%0.0131%0.312CS..Hα-helixtrans-57.7-34.6176.3-173.360.2000112V146 L186 L188 K194 I196 E251 L252 V253 Y281V146-I249 HydrophobicContact CG1-CD1 4.43Å; V146-I249 HydrophobicContact CG1-CG1 4.33Å; V146-I249 HydrophobicContact CG2-CD1 4.11Å; L186-I249 HydrophobicContact CD2-CD1 4.22Å; L188-I249 HydrophobicContact CD1-CG2 4.39Å; L188-I249 HydrophobicContact CD2-CB 4.09Å; L188-I249 HydrophobicContact CD2-CG2 4.39Å; K194-I249 PolarHBondContact O-N 2.93Å; I196-I249 HydrophobicContact CD1-CB 4.47Å; I196-I249 HydrophobicContact CD1-CD1 4.04Å; I196-I249 HydrophobicContact CG1-CB 4.4Å; I196-I249 HydrophobicContact CG1-CD1 4.49Å; I249-E251 PolarHBondContact O-N 3.24Å; I249-L252 PolarHBondContact O-N 3.4Å; I249-L252 VanDerWaalsContact O-N 3.17Å; I249-V253 WeakPolarHBondContact O-CG2 3.4Å; I249-V253 PolarHBondContact O-N 2.61Å; I249-Y281 HydrophobicContact CG1-CD1 4.02Å; I249-Y281 HydrophobicContact CG1-CD2 4.12Å; I249-Y281 HydrophobicContact CG1-CE1 4.17Å; I249-Y281 HydrophobicContact CG1-CE2 4.26Å; I249-Y281 HydrophobicContact CG1-CG 3.98Å; I249-Y281 HydrophobicContact CG2-CE1 4.07Å; I249-Y281 HydrophobicContact CG2-CE2 4.13Å
250G98.1Very high98.4Very high42 Ų4257.2 Ų57.243%0.43330%0.295SS..Hα-helixtrans-62.8-27.7175.400000113.7E248 K254E248-G250 PolarHBondContact O-N 2.85Å; G250-K254 WeakPolarHBondContact O-CB 3.24Å; G250-K254 PolarHBondContact O-N 3.12Å
251E98.2Very high98.4Very high68 Ų6855 Ų5532%0.31829%0.286SS..Hα-helixtrans-67.3-43.1174.4-167.1-166.7143.600111R245 E248 I249 K254 A255R245-E251 IonicContact CZ-OE1 3.35Å; R245-E251 IonicContact CZ-OE2 3.81Å; R245-E251 IonicContact NH1-OE1 2.7Å; R245-E251 IonicContact NH1-OE2 2.71Å; R245-E251 PolarHBondContact NH1-OE2 2.93Å; R245-E251 IonicContact NH2-OE1 3.95Å; R245-E251 PolarHBondContact NH2-OE1 3.22Å; R245-E251 IonicContact NH2-OE2 3.74Å; R245-E251 PolarHBondContact NH2-OE2 3.46Å; E248-E251 WeakPolarHBondContact O-CB 3.22Å; E248-E251 PolarHBondContact O-N 3.01Å; I249-E251 PolarHBondContact O-N 3.24Å; E251-K254 PolarHBondContact O-N 2.88Å; E251-A255 WeakPolarHBondContact O-CB 3.41Å; E251-A255 PolarHBondContact O-N 2.96Å
252L98.5Very high98.4Very high0 Ų051.7 Ų51.70%028%0.275CS..Hα-helixtrans-67.8-38.5176.8-61.5-172.1000112I196 F206 V208 I213 I247 I249 K254 A255 Y256 F261I196-L252 HydrophobicContact CD1-CD1 3.36Å; I196-L252 HydrophobicContact CD1-CG 4.11Å; F206-L252 HydrophobicContact CB-CD2 4.23Å; F206-L252 HydrophobicContact CD1-CD1 3.67Å; F206-L252 HydrophobicContact CD2-CD1 4Å; F206-L252 HydrophobicContact CD2-CD2 4.45Å; F206-L252 HydrophobicContact CE1-CD1 3.53Å; F206-L252 HydrophobicContact CE2-CD1 3.88Å; F206-L252 HydrophobicContact CG-CD1 3.88Å; F206-L252 HydrophobicContact CG-CD2 4.14Å; F206-L252 HydrophobicContact CZ-CD1 3.63Å; V208-L252 HydrophobicContact CG2-CD2 3.95Å; I213-L252 HydrophobicContact CD1-CD2 4.28Å; I247-L252 HydrophobicContact CG2-CD2 4.21Å; I247-L252 HydrophobicContact CG2-CG 4.19Å; I249-L252 PolarHBondContact O-N 3.4Å; I249-L252 VanDerWaalsContact O-N 3.17Å; L252-K254 VanDerWaalsContact C-N 3.32Å; L252-K254 PolarHBondContact O-N 3.31Å; L252-A255 PolarHBondContact O-N 3.21Å; L252-Y256 WeakPolarHBondContact O-CB 2.96Å; L252-Y256 PolarHBondContact O-N 3.16Å; L252-F261 HydrophobicContact CB-CD1 4.4Å; L252-F261 HydrophobicContact CB-CE1 4.02Å; L252-F261 HydrophobicContact CD1-CE1 4.28Å; L252-F261 HydrophobicContact CD1-CZ 4.08Å; L252-F261 HydrophobicContact CD2-CZ 4.39Å
253V98.5Very high98.4Very high25 Ų2551.5 Ų51.515%0.15227%0.273CS..Hα-helixtrans-58.5-46.3173.5171.20000110.7I249 Y256 D257 Y281 K284 M286I249-V253 WeakPolarHBondContact O-CG2 3.4Å; I249-V253 PolarHBondContact O-N 2.61Å; V253-Y256 WeakPolarHBondContact O-CB 3.22Å; V253-Y256 PolarHBondContact O-N 3.03Å; V253-D257 PolarHBondContact O-N 2.91Å; V253-Y281 HydrophobicContact CG2-CD1 3.81Å; V253-Y281 HydrophobicContact CG2-CE1 4.38Å; V253-K284 HydrophobicContact CG1-CD 3.71Å; V253-K284 HydrophobicContact CG2-CD 4.46Å; V253-M286 HydrophobicContact CB-SD 4.36Å; V253-M286 HydrophobicContact CG2-CE 4.11Å; V253-M286 HydrophobicContact CG2-SD 3.91Å
254K98.6Very high98.4Very high129 Ų12949.7 Ų49.756%0.56126%0.263SS*.Hα-helixtrans-64-45.4176.7-178.9-179.4171.6-175.50111.7G250 E251 L252 Y256 D257 E258G250-K254 WeakPolarHBondContact O-CB 3.24Å; G250-K254 PolarHBondContact O-N 3.12Å; E251-K254 PolarHBondContact O-N 2.88Å; L252-K254 VanDerWaalsContact C-N 3.32Å; L252-K254 PolarHBondContact O-N 3.31Å; K254-Y256 VanDerWaalsContact C-N 3.27Å; K254-Y256 PolarHBondContact O-N 2.93Å; K254-D257 PolarHBondContact O-N 3.04Å; K254-E258 WeakPolarHBondContact CE-OE1 3.43Å; K254-E258 IonicContact NZ-OE1 3.15Å; K254-E258 WeakPolarHBondContact O-CB 3.42Å; K254-E258 WeakPolarHBondContact O-CG 3.42Å; K254-E258 PolarHBondContact O-N 3.37Å
255A98.6Very high98.3Very high8 Ų846.4 Ų46.47%0.06625%0.247CC..Hα-helixtrans-60.2-38.3177.100000112.1V208 E251 L252 E258 G259 K260 F261V208-A255 HydrophobicContact CG1-CB 3.74Å; V208-A255 HydrophobicContact CG2-CB 4.46Å; E251-A255 WeakPolarHBondContact O-CB 3.41Å; E251-A255 PolarHBondContact O-N 2.96Å; L252-A255 PolarHBondContact O-N 3.21Å; A255-E258 PolarHBondContact O-N 3.25Å; A255-G259 PolarHBondContact O-N 3.46Å; A255-G259 VanDerWaalsContact O-N 3.15Å; A255-K260 HydrophobicContact CB-CB 4.47Å; A255-K260 PolarHBondContact O-N 2.89Å; A255-F261 HydrophobicContact CB-CB 4.23Å; A255-F261 PolarHBondContact O-N 2.76Å
256Y98.6Very high98.3Very high71 Ų7142.8 Ų42.828%0.27823%0.234SC..Hα-helixtrans-61.5-49.4173.7-179.4-103.4000111.8L252 V253 K254 E258 G259 M286 T287L252-Y256 WeakPolarHBondContact O-CB 2.96Å; L252-Y256 PolarHBondContact O-N 3.16Å; V253-Y256 WeakPolarHBondContact O-CB 3.22Å; V253-Y256 PolarHBondContact O-N 3.03Å; K254-Y256 VanDerWaalsContact C-N 3.27Å; K254-Y256 PolarHBondContact O-N 2.93Å; Y256-E258 PolarHBondContact O-N 3.39Å; Y256-G259 PolarHBondContact O-N 3.13Å; Y256-M286 HydrophobicContact CD1-CB 4.14Å; Y256-M286 HydrophobicContact CD1-CG 3.65Å; Y256-M286 HydrophobicContact CD1-SD 4.32Å; Y256-M286 HydrophobicContact CD2-CB 3.77Å; Y256-M286 HydrophobicContact CD2-CG 4.13Å; Y256-M286 HydrophobicContact CE1-CB 4.26Å; Y256-M286 HydrophobicContact CE1-CG 4.05Å; Y256-M286 HydrophobicContact CE2-CB 3.95Å; Y256-M286 HydrophobicContact CG-CB 3.87Å; Y256-M286 HydrophobicContact CG-CG 3.68Å; Y256-M286 HydrophobicContact CG-SD 4.02Å; Y256-T287 WeakPolarHBondContact CE2-O 3.33Å; Y256-T287 PolarHBondContact OH-N 3.15Å
257D98.4Very high98.3Very high98 Ų9840 Ų4052%0.52422%0.218SC..Hα-helixtrans-64.3-29.4-179.8-71.1-25.7000112.6V253 K254 G259 K284V253-D257 PolarHBondContact O-N 2.91Å; K254-D257 PolarHBondContact O-N 3.04Å; D257-G259 VanDerWaalsContact C-N 3.33Å; D257-K284 VanDerWaalsContact OD1-CE 3.26Å; D257-K284 WeakPolarHBondContact OD1-CE 3.41Å; D257-K284 IonicContact OD1-NZ 2.63Å; D257-K284 PolarHBondContact OD1-NZ 3.45Å; D257-K284 IonicContact OD2-NZ 2.8Å; D257-K284 PolarHBondContact OD2-NZ 2.92Å
258E98.4Very high98.2Very high96 Ų9640.6 Ų40.645%0.44923%0.225SC..THydrogen-bonded Turntrans-84.1-3.3174.1-68.9-178.1-172.700113.9K254 A255 Y256 K260K254-E258 WeakPolarHBondContact CE-OE1 3.43Å; K254-E258 IonicContact NZ-OE1 3.15Å; K254-E258 WeakPolarHBondContact O-CB 3.42Å; K254-E258 WeakPolarHBondContact O-CG 3.42Å; K254-E258 PolarHBondContact O-N 3.37Å; A255-E258 PolarHBondContact O-N 3.25Å; Y256-E258 PolarHBondContact O-N 3.39Å; E258-K260 VanDerWaalsContact C-N 3.33Å; E258-K260 HydrophobicContact CB-CD 4.23Å; E258-K260 HydrophobicContact CB-CG 4.26Å; E258-K260 IonicContact OE2-NZ 3.85Å; E258-K260 PolarHBondContact OE2-NZ 2.77Å
259G97.9Very high98Very high66 Ų6638.9 Ų38.968%0.6822%0.219SC*.THydrogen-bonded Turntrans70.725.5-178.200000114.5A255 Y256 D257A255-G259 PolarHBondContact O-N 3.46Å; A255-G259 VanDerWaalsContact O-N 3.15Å; Y256-G259 PolarHBondContact O-N 3.13Å; D257-G259 VanDerWaalsContact C-N 3.33Å
260K98.4Very high97.6Very high78 Ų7841 Ų4134%0.33924%0.237SC..  trans-107-2.6-178.6-65.8177.7-177.8160.80114.1V208 D209 A255 E258 D262V208-K260 CarbonylContact C-O 3.46Å; V208-K260 VanDerWaalsContact CA-O 3.29Å; V208-K260 WeakPolarHBondContact CA-O 3.42Å; V208-K260 HydrophobicContact CG1-CB 4.48Å; D209-K260 HydrophobicContact CB-CB 4.34Å; D209-K260 HydrophobicContact CB-CD 4.39Å; D209-K260 PolarHBondContact N-O 3.24Å; A255-K260 HydrophobicContact CB-CB 4.47Å; A255-K260 PolarHBondContact O-N 2.89Å; E258-K260 VanDerWaalsContact C-N 3.33Å; E258-K260 HydrophobicContact CB-CD 4.23Å; E258-K260 HydrophobicContact CB-CG 4.26Å; E258-K260 IonicContact OE2-NZ 3.85Å; E258-K260 PolarHBondContact OE2-NZ 2.77Å; K260-D262 PolarHBondContact O-N 2.85Å
261F98.4Very high97.2Very high14 Ų1439.4 Ų39.46%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-87.693.5179.3-167.8-179.4000110.1F206 V208 L252 A255 E263 A264 L279 I288F206-F261 HydrophobicContact CB-CE2 3.99Å; F206-F261 AromaticContact CD1-CE2 3.76Å; F206-F261 HydrophobicContact CD1-CE2 3.76Å; F206-F261 AromaticContact CD1-CZ 3.55Å; F206-F261 HydrophobicContact CD1-CZ 3.55Å; F206-F261 HydrophobicContact CE1-CZ 4.15Å; F206-F261 HydrophobicContact CG-CE2 4.31Å; F206-F261 HydrophobicContact CG-CZ 4.4Å; V208-F261 HydrophobicContact CG2-CD2 4.27Å; L252-F261 HydrophobicContact CB-CD1 4.4Å; L252-F261 HydrophobicContact CB-CE1 4.02Å; L252-F261 HydrophobicContact CD1-CE1 4.28Å; L252-F261 HydrophobicContact CD1-CZ 4.08Å; L252-F261 HydrophobicContact CD2-CZ 4.39Å; A255-F261 HydrophobicContact CB-CB 4.23Å; A255-F261 PolarHBondContact O-N 2.76Å; F261-E263 WeakPolarHBondContact CE2-O 3.42Å; F261-A264 HydrophobicContact CE2-CB 3.96Å; F261-A264 HydrophobicContact CZ-CB 3.98Å; F261-L279 HydrophobicContact CE1-CD1 3.95Å; F261-L279 HydrophobicContact CZ-CD1 3.98Å; F261-I288 HydrophobicContact CD1-CD1 4.45Å; F261-I288 HydrophobicContact CD1-CG1 4.22Å; F261-I288 HydrophobicContact CE1-CD1 3.74Å; F261-I288 HydrophobicContact CE1-CG1 4Å; F261-I288 HydrophobicContact CE2-CD1 4.3Å; F261-I288 HydrophobicContact CZ-CD1 3.64Å; F261-I288 HydrophobicContact CZ-CG1 4.16Å
262D98.2Very high97Very high61 Ų6136.4 Ų36.433%0.32621%0.206SC..EExtended strand (participates in β ladder)trans-79.9-53.5-167-54.8-55.9000112.9V207 D209 G210 K260 N289V207-D262 HydrophobicContact CB-CB 4.08Å; V207-D262 HydrophobicContact CG1-CB 3.88Å; V207-D262 PolarHBondContact O-N 2.85Å; D209-D262 PolarHBondContact N-OD2 2.86Å; G210-D262 PolarHBondContact N-OD2 3.43Å; K260-D262 PolarHBondContact O-N 2.85Å; D262-N289 WeakPolarHBondContact O-CB 3.39Å
263E98.4Very high96.9Very high8 Ų836.4 Ų36.44%0.03721%0.206CC..EExtended strand (participates in β ladder)trans-144.3157-176.2-54.1-175.5-145.600111.6F206 V207 F261 G294 P295 I296 S297F206-E263 CarbonylContact C-O 3.56Å; F206-E263 WeakPolarHBondContact CA-O 3.3Å; V207-E263 HydrophobicContact CB-CB 3.9Å; V207-E263 HydrophobicContact CB-CG 4.35Å; V207-E263 HydrophobicContact CG2-CB 3.74Å; V207-E263 HydrophobicContact CG2-CG 4.29Å; V207-E263 PolarHBondContact N-O 3.42Å; V207-E263 PolarHBondContact O-N 3.02Å; F261-E263 WeakPolarHBondContact CE2-O 3.42Å; E263-G294 VanDerWaalsContact CD-C 3.49Å; E263-G294 WeakPolarHBondContact OE2-CA 3.49Å; E263-P295 WeakPolarHBondContact OE1-CD 3.43Å; E263-P295 VanDerWaalsContact OE1-CG 3.32Å; E263-P295 WeakPolarHBondContact OE1-CG 3.21Å; E263-P295 VanDerWaalsContact OE1-N 3.15Å; E263-I296 WeakPolarHBondContact OE1-CB 3.36Å; E263-I296 PolarHBondContact OE1-N 3.48Å; E263-I296 PolarHBondContact OE2-N 2.88Å; E263-S297 WeakPolarHBondContact OE2-CB 3.37Å; E263-S297 PolarHBondContact OE2-N 3.41Å; E263-S297 PolarHBondContact OE2-OG 2.95Å
264A98.6Very high96.8Very high3 Ų335.3 Ų35.33%0.02520%0.2CC..EExtended strand (participates in β ladder)trans-144.9143.9167.400000110F205 F206 F261 I276 I288F205-A264 WeakPolarHBondContact O-CA 3.46Å; F206-A264 HydrophobicContact CD1-CB 3.71Å; F206-A264 HydrophobicContact CE1-CB 4.14Å; F261-A264 HydrophobicContact CE2-CB 3.96Å; F261-A264 HydrophobicContact CZ-CB 3.98Å; A264-I276 HydrophobicContact CB-CB 3.87Å; A264-I276 HydrophobicContact CB-CD1 4.13Å; A264-I276 HydrophobicContact CB-CG1 4.49Å; A264-I276 HydrophobicContact CB-CG2 4.33Å; A264-I276 PolarHBondContact O-N 3.21Å; A264-I288 HydrophobicContact CB-CD1 3.82Å; A264-I288 HydrophobicContact CB-CG2 4.34Å
265F98.3Very high96.7Very high0 Ų029.3 Ų29.30%017%0.174CC..EExtended strand (participates in β ladder)trans-156.5146.8178.156.4-86.5000112.6F205 V207 I273 S274 I296 L300F205-F265 HydrophobicContact CB-CD1 4.21Å; F205-F265 HydrophobicContact CB-CD2 3.94Å; F205-F265 HydrophobicContact CB-CE1 3.76Å; F205-F265 HydrophobicContact CB-CE2 3.46Å; F205-F265 VanDerWaalsContact CB-CE2 3.46Å; F205-F265 HydrophobicContact CB-CG 4.3Å; F205-F265 HydrophobicContact CB-CZ 3.35Å; F205-F265 HydrophobicContact CD1-CE2 4.33Å; F205-F265 HydrophobicContact CD1-CZ 4.24Å; F205-F265 HydrophobicContact CD2-CD2 4.24Å; F205-F265 AromaticContact CD2-CE2 3.74Å; F205-F265 HydrophobicContact CD2-CE2 3.74Å; F205-F265 HydrophobicContact CD2-CZ 4.38Å; F205-F265 HydrophobicContact CG-CD2 4.32Å; F205-F265 AromaticContact CG-CE2 3.58Å; F205-F265 HydrophobicContact CG-CE2 3.58Å; F205-F265 AromaticContact CG-CZ 3.76Å; F205-F265 HydrophobicContact CG-CZ 3.76Å; F205-F265 PolarHBondContact N-O 3.14Å; F205-F265 PolarHBondContact O-N 2.71Å; V207-F265 HydrophobicContact CG2-CE1 4.42Å; F265-I273 HydrophobicContact CB-CG2 3.95Å; F265-I273 HydrophobicContact CD2-CD1 4.04Å; F265-I273 HydrophobicContact CD2-CG2 3.97Å; F265-I273 HydrophobicContact CE2-CD1 4.15Å; F265-I273 HydrophobicContact CG-CG2 4.14Å; F265-S274 CarbonylContact C-O 3.42Å; F265-S274 VanDerWaalsContact CA-O 3.28Å; F265-S274 WeakPolarHBondContact CA-O 3.28Å; F265-I296 HydrophobicContact CE1-CG2 4.42Å; F265-L300 HydrophobicContact CE1-CD1 4.38Å; F265-L300 HydrophobicContact CE2-CD1 3.5Å; F265-L300 HydrophobicContact CZ-CD1 3.4Å
266G98.1Very high96.6Very high0 Ų029.1 Ų29.10%017%0.172CC..EExtended strand (participates in β ladder)trans-83.8152.6165.700000111.7N203 I273 S274N203-G266 CarbonylContact O-C 3.55Å; N203-G266 WeakPolarHBondContact O-CA 3.3Å; G266-I273 CarbonylContact O-C 3.58Å; G266-I273 WeakPolarHBondContact O-CA 3.45Å; G266-S274 PolarHBondContact N-O 3.1Å; G266-S274 PolarHBondContact O-N 3.07Å
267S98.1Very high96.6Very high0 Ų026 Ų260%016%0.161CC..EExtended strand (participates in β ladder)trans-132.7136.9170.977.60000113M202 N203 F205 V272M202-S267 WeakPolarHBondContact CB-O 3.48Å; N203-S267 PolarHBondContact N-O 3.38Å; N203-S267 VanDerWaalsContact N-O 3.1Å; N203-S267 PolarHBondContact O-N 2.94Å; F205-S267 WeakPolarHBondContact CE2-OG 3.45Å; S267-V272 WeakPolarHBondContact CA-O 3.32Å
268G96.4Very high96.6Very high14 Ų1422.3 Ų22.314%0.14414%0.141CC..EExtended strand (participates in β ladder)trans179.7161.2-179.300000112.6A270 V272G268-A270 PolarHBondContact O-N 2.76Å; G268-A270 VanDerWaalsContact O-N 3.1Å; G268-V272 PolarHBondContact N-O 2.81Å; G268-V272 WeakPolarHBondContact O-CA 3.41Å; G268-V272 PolarHBondContact O-N 3.15Å
269T93.5Very high96.6Very high33 Ų3317.7 Ų17.720%0.20212%0.119CC..THydrogen-bonded Turntrans-53.8-36.7-172.4-52.70000114G38 K40 Y102 T227G38-T269 PolarHBondContact O-OG1 2.95Å; G38-T269 VanDerWaalsContact O-OG1 3.09Å; K40-T269 HydrophobicContact CD-CG2 4.1Å; K40-T269 VanDerWaalsContact CE-O 3.23Å; K40-T269 WeakPolarHBondContact CE-O 3.47Å; K40-T269 HydrophobicContact CG-CG2 4.05Å; K40-T269 PolarHBondContact NZ-O 3.29Å; Y102-T269 HydrophobicContact CE2-CG2 4.24Å; T227-T269 PolarHBondContact OG1-N 3Å
270A89.7Confident96.6Very high46 Ų4616.2 Ų16.238%0.389%0.094SC..THydrogen-bonded Turntrans-68.4-56.9-173.400000112.2K40 Y134 G268K40-A270 PolarHBondContact NZ-O 3.38Å; Y134-A270 HydrophobicContact CD2-CB 3.78Å; Y134-A270 HydrophobicContact CE2-CB 3.61Å; G268-A270 PolarHBondContact O-N 2.76Å; G268-A270 VanDerWaalsContact O-N 3.1Å
271A90.1Very high96.6Very high9 Ų915.7 Ų15.77%0.0749%0.091CC..THydrogen-bonded Turntrans-92.7-12.5-178.400000114.1Y134 M202 I273Y134-A271 HydrophobicContact CD1-CB 3.81Å; Y134-A271 HydrophobicContact CE1-CB 4.29Å; Y134-A271 HydrophobicContact CG-CB 3.94Å; M202-A271 HydrophobicContact SD-CB 4.47Å; A271-I273 PolarHBondContact O-N 3.09Å
272V94Very high96.4Very high5 Ų516.6 Ų16.63%0.0310%0.103CC..EExtended strand (participates in β ladder)trans63.1-68.4-166-169.30000111.2T227 S267 G268 Y301 L304 T305T227-V272 HydrophobicContact CG2-CG1 4.46Å; T227-V272 WeakPolarHBondContact CG2-O 3.34Å; S267-V272 WeakPolarHBondContact CA-O 3.32Å; G268-V272 PolarHBondContact N-O 2.81Å; G268-V272 WeakPolarHBondContact O-CA 3.41Å; G268-V272 PolarHBondContact O-N 3.15Å; V272-Y301 HydrophobicContact CB-CD2 4.16Å; V272-Y301 HydrophobicContact CB-CE2 4.32Å; V272-L304 HydrophobicContact CG1-CB 3.85Å; V272-L304 HydrophobicContact CG1-CD1 3.87Å; V272-T305 HydrophobicContact CB-CG2 4.47Å; V272-T305 HydrophobicContact CG1-CG2 4.32Å; V272-T305 HydrophobicContact CG2-CG2 4.2Å
273I96.1Very high96.3Very high1 Ų121.3 Ų21.31%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-129.8131.5172.9-58.2-62.6000108.5F265 G266 A271 L300 Y301 L304F265-I273 HydrophobicContact CB-CG2 3.95Å; F265-I273 HydrophobicContact CD2-CD1 4.04Å; F265-I273 HydrophobicContact CD2-CG2 3.97Å; F265-I273 HydrophobicContact CE2-CD1 4.15Å; F265-I273 HydrophobicContact CG-CG2 4.14Å; G266-I273 CarbonylContact O-C 3.58Å; G266-I273 WeakPolarHBondContact O-CA 3.45Å; A271-I273 PolarHBondContact O-N 3.09Å; I273-L300 HydrophobicContact CD1-CB 4.01Å; I273-L300 HydrophobicContact CD1-CD1 4.24Å; I273-L300 HydrophobicContact CG1-CB 4.07Å; I273-Y301 HydrophobicContact CB-CD2 4.31Å; I273-L304 HydrophobicContact CD1-CD1 4.47Å
274S95.5Very high96.3Very high2 Ų224.1 Ų24.11%0.01414%0.141CC..EExtended strand (participates in β ladder)trans-119.999.5175.2-175.10000109.4Y135 F265 G266Y135-S274 PolarHBondContact OH-OG 3.26Å; F265-S274 CarbonylContact C-O 3.42Å; F265-S274 VanDerWaalsContact CA-O 3.28Å; F265-S274 WeakPolarHBondContact CA-O 3.28Å; G266-S274 PolarHBondContact N-O 3.1Å; G266-S274 PolarHBondContact O-N 3.07Å
275P97Very high96.2Very high2 Ų228.3 Ų28.31%0.01316%0.16CC..EExtended strand (participates in β ladder)trans-61.6144.2-179.9-2032.3000111.7L139 P141 V142 I293L139-P275 HydrophobicContact CB-CG 4.46Å; P141-P275 CarbonylContact C-O 3.58Å; P141-P275 VanDerWaalsContact CA-O 3.28Å; P141-P275 WeakPolarHBondContact CA-O 3.37Å; P141-P275 HydrophobicContact CB-CB 4.1Å; P141-P275 HydrophobicContact CG-CB 4.06Å; V142-P275 WeakPolarHBondContact CG2-O 3.26Å; V142-P275 PolarHBondContact N-O 2.92Å; P275-I293 HydrophobicContact CB-CB 4.12Å; P275-I293 HydrophobicContact CB-CD1 4.49Å; P275-I293 HydrophobicContact CB-CG1 4.03Å; P275-I293 HydrophobicContact CG-CB 3.91Å; P275-I293 HydrophobicContact CG-CD1 3.51Å; P275-I293 HydrophobicContact CG-CG1 3.57Å
276I97.7Very high96.3Very high4 Ų428.3 Ų28.32%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-109.4116.7177.9-60.9169.5000107.7I144 V199 V204 A264 L279 I288I144-I276 HydrophobicContact CB-CG2 4.21Å; I144-I276 HydrophobicContact CG1-CB 4.29Å; I144-I276 HydrophobicContact CG1-CD1 4.08Å; I144-I276 HydrophobicContact CG1-CG1 3.8Å; I144-I276 HydrophobicContact CG1-CG2 3.65Å; V199-I276 HydrophobicContact CG2-CD1 4.26Å; V204-I276 HydrophobicContact CG2-CD1 4.1Å; A264-I276 HydrophobicContact CB-CB 3.87Å; A264-I276 HydrophobicContact CB-CD1 4.13Å; A264-I276 HydrophobicContact CB-CG1 4.49Å; A264-I276 HydrophobicContact CB-CG2 4.33Å; A264-I276 PolarHBondContact O-N 3.21Å; I276-L279 HydrophobicContact CG2-CD2 4.25Å; I276-L279 HydrophobicContact CG2-CG 4.04Å; I276-I288 HydrophobicContact CG2-CD1 4.11Å
277G97.3Very high96.3Very high6 Ų631.5 Ų31.56%0.06218%0.179CC..EExtended strand (participates in β ladder)trans-94.7-22.7-179.300000113.3V142 I288V142-G277 PolarHBondContact O-N 3.06Å; G277-I288 PolarHBondContact O-N 3.01Å
278E98.3Very high96.3Very high20 Ų2031.6 Ų31.69%0.09318%0.18CC..EExtended strand (participates in β ladder)trans-147.2136.4179.4-167.5-172.8122.100110.5K143 I144 Y182 H285 M286K143-E278 HydrophobicContact CB-CB 4.29Å; K143-E278 WeakPolarHBondContact CE-OE2 3.42Å; K143-E278 HydrophobicContact CG-CB 4.01Å; K143-E278 IonicContact NZ-OE2 3.26Å; K143-E278 PolarHBondContact NZ-OE2 3.33Å; I144-E278 PolarHBondContact N-O 2.87Å; Y182-E278 PolarHBondContact OH-OE1 3.47Å; E278-H285 IonicContact OE1-CE1 3.7Å; E278-H285 IonicContact OE1-CG 3.92Å; E278-H285 IonicContact OE1-ND1 2.86Å; E278-H285 PolarHBondContact OE1-ND1 2.99Å; E278-M286 VanDerWaalsContact CA-O 3.32Å; E278-M286 WeakPolarHBondContact CA-O 3.3Å
279L98.4Very high96.3Very high0 Ų034 Ų340%019%0.189CC..EExtended strand (participates in β ladder)trans-113.6128.5163.1-77.2171.3000109.9I144 V146 L186 F206 F261 I276 M286 I288I144-L279 HydrophobicContact CB-CD2 3.61Å; I144-L279 HydrophobicContact CG2-CD2 3.57Å; I144-L279 WeakPolarHBondContact O-CA 3.07Å; V146-L279 HydrophobicContact CG2-CD2 4.28Å; L186-L279 HydrophobicContact CB-CD2 4.38Å; L186-L279 HydrophobicContact CD2-CD2 4.14Å; F206-L279 HydrophobicContact CE1-CD1 4.21Å; F261-L279 HydrophobicContact CE1-CD1 3.95Å; F261-L279 HydrophobicContact CZ-CD1 3.98Å; I276-L279 HydrophobicContact CG2-CD2 4.25Å; I276-L279 HydrophobicContact CG2-CG 4.04Å; L279-M286 HydrophobicContact CB-CB 4.37Å; L279-M286 HydrophobicContact CB-CE 3.76Å; L279-M286 HydrophobicContact CD1-CE 4.32Å; L279-M286 PolarHBondContact N-O 3.41Å; L279-M286 PolarHBondContact O-N 3.21Å; L279-I288 HydrophobicContact CB-CD1 4.39Å; L279-I288 HydrophobicContact CD1-CD1 3.8Å; L279-I288 HydrophobicContact CG-CD1 3.89Å
280K98.2Very high96.4Very high34 Ų3435.4 Ų35.415%0.14821%0.211CC..EExtended strand (participates in β ladder)trans-103.9121.1169.8177.1-178.5170.8-170.70110.5I144 Y145 V146 Y182 G282 K284I144-K280 PolarHBondContact O-N 2.8Å; Y145-K280 HydrophobicContact CD2-CB 4.43Å; Y145-K280 HydrophobicContact CD2-CD 4.06Å; Y145-K280 HydrophobicContact CD2-CG 4.29Å; Y145-K280 HydrophobicContact CE2-CD 4.34Å; V146-K280 VanDerWaalsContact CB-O 3.31Å; V146-K280 WeakPolarHBondContact CB-O 3.49Å; V146-K280 VanDerWaalsContact CG2-O 3.29Å; V146-K280 WeakPolarHBondContact CG2-O 3.43Å; V146-K280 PolarHBondContact N-O 3.05Å; Y182-K280 HydrophobicContact CE1-CB 3.56Å; Y182-K280 HydrophobicContact CE1-CD 4.37Å; Y182-K280 HydrophobicContact CE2-CB 4.31Å; Y182-K280 HydrophobicContact CE2-CD 3.56Å; Y182-K280 VanDerWaalsContact CZ-CB 3.47Å; Y182-K280 VanDerWaalsContact CZ-CD 3.46Å; Y182-K280 WeakPolarHBondContact OH-CB 3.44Å; Y182-K280 VanDerWaalsContact OH-CD 3.24Å; Y182-K280 WeakPolarHBondContact OH-CD 3.13Å; K280-G282 WeakPolarHBondContact CE-O 3.29Å; K280-G282 WeakPolarHBondContact CG-O 3.39Å; K280-K284 WeakPolarHBondContact CA-O 3.27Å
281Y97.7Very high96.7Very high68 Ų6834.8 Ų34.827%0.26721%0.209SC..EExtended strand (participates in β ladder)trans-127.9115.2174.6179.1-128000109.7V146 E148 L188 I249 V253 D283 K284V146-Y281 HydrophobicContact CB-CD2 3.89Å; V146-Y281 HydrophobicContact CB-CG 4.47Å; V146-Y281 HydrophobicContact CG1-CD2 3.66Å; V146-Y281 HydrophobicContact CG1-CE2 4.22Å; V146-Y281 HydrophobicContact CG1-CG 4.5Å; V146-Y281 HydrophobicContact CG2-CD2 4.46Å; E148-Y281 HydrophobicContact CG-CD2 4.19Å; E148-Y281 HydrophobicContact CG-CE2 3.89Å; L188-Y281 HydrophobicContact CD1-CE2 4.41Å; I249-Y281 HydrophobicContact CG1-CD1 4.02Å; I249-Y281 HydrophobicContact CG1-CD2 4.12Å; I249-Y281 HydrophobicContact CG1-CE1 4.17Å; I249-Y281 HydrophobicContact CG1-CE2 4.26Å; I249-Y281 HydrophobicContact CG1-CG 3.98Å; I249-Y281 HydrophobicContact CG2-CE1 4.07Å; I249-Y281 HydrophobicContact CG2-CE2 4.13Å; V253-Y281 HydrophobicContact CG2-CD1 3.81Å; V253-Y281 HydrophobicContact CG2-CE1 4.38Å; Y281-D283 PolarHBondContact O-N 2.84Å; Y281-K284 PolarHBondContact N-O 3.25Å; Y281-K284 WeakPolarHBondContact O-CB 3.45Å; Y281-K284 PolarHBondContact O-N 2.9Å
282G95.6Very high97Very high32 Ų3241.5 Ų41.533%0.3324%0.236SC..THydrogen-bonded Turntrans50.8-123.6-161.700000111.8E148 K280E148-G282 PolarHBondContact OE1-N 3.45Å; K280-G282 WeakPolarHBondContact CE-O 3.29Å; K280-G282 WeakPolarHBondContact CG-O 3.39Å
283D95.8Very high97Very high160 Ų16043.3 Ų43.386%0.85625%0.245SC*.THydrogen-bonded Turntrans-89.6-3176-62.7-42.3000113.5Y281 H285Y281-D283 PolarHBondContact O-N 2.84Å; D283-H285 PolarHBondContact O-CD2 2.91Å
284K97.5Very high97.1Very high68 Ų6843.4 Ų43.430%0.29625%0.247SC..EExtended strand (participates in β ladder)trans-86.4124.1-177-164.4-178.6-175.4103.10110.4V253 D257 K280 Y281 M286V253-K284 HydrophobicContact CG1-CD 3.71Å; V253-K284 HydrophobicContact CG2-CD 4.46Å; D257-K284 VanDerWaalsContact OD1-CE 3.26Å; D257-K284 WeakPolarHBondContact OD1-CE 3.41Å; D257-K284 IonicContact OD1-NZ 2.63Å; D257-K284 PolarHBondContact OD1-NZ 3.45Å; D257-K284 IonicContact OD2-NZ 2.8Å; D257-K284 PolarHBondContact OD2-NZ 2.92Å; K280-K284 WeakPolarHBondContact CA-O 3.27Å; Y281-K284 PolarHBondContact N-O 3.25Å; Y281-K284 WeakPolarHBondContact O-CB 3.45Å; Y281-K284 PolarHBondContact O-N 2.9Å; K284-M286 HydrophobicContact CD-CG 4.28Å; K284-M286 HydrophobicContact CG-CG 4.32Å
285H98.1Very high97.1Very high91 Ų9147.8 Ų47.842%0.42128%0.275SS..EExtended strand (participates in β ladder)trans-102.5119.5171.3-66-103.3000109.7Y182 E278 D283Y182-H285 PolarHBondContact OH-CE1 3.25Å; Y182-H285 PolarHBondContact OH-ND1 3.02Å; E278-H285 IonicContact OE1-CE1 3.7Å; E278-H285 IonicContact OE1-CG 3.92Å; E278-H285 IonicContact OE1-ND1 2.86Å; E278-H285 PolarHBondContact OE1-ND1 2.99Å; D283-H285 PolarHBondContact O-CD2 2.91Å
286M98.5Very high97.2Very high0 Ų048.3 Ų48.30%028%0.277CS..EExtended strand (participates in β ladder)trans-107.2100.6178-61.8-176.7-71.300109.4V253 Y256 E278 L279 K284 I288V253-M286 HydrophobicContact CB-SD 4.36Å; V253-M286 HydrophobicContact CG2-CE 4.11Å; V253-M286 HydrophobicContact CG2-SD 3.91Å; Y256-M286 HydrophobicContact CD1-CB 4.14Å; Y256-M286 HydrophobicContact CD1-CG 3.65Å; Y256-M286 HydrophobicContact CD1-SD 4.32Å; Y256-M286 HydrophobicContact CD2-CB 3.77Å; Y256-M286 HydrophobicContact CD2-CG 4.13Å; Y256-M286 HydrophobicContact CE1-CB 4.26Å; Y256-M286 HydrophobicContact CE1-CG 4.05Å; Y256-M286 HydrophobicContact CE2-CB 3.95Å; Y256-M286 HydrophobicContact CG-CB 3.87Å; Y256-M286 HydrophobicContact CG-CG 3.68Å; Y256-M286 HydrophobicContact CG-SD 4.02Å; E278-M286 VanDerWaalsContact CA-O 3.32Å; E278-M286 WeakPolarHBondContact CA-O 3.3Å; L279-M286 HydrophobicContact CB-CB 4.37Å; L279-M286 HydrophobicContact CB-CE 3.76Å; L279-M286 HydrophobicContact CD1-CE 4.32Å; L279-M286 PolarHBondContact N-O 3.41Å; L279-M286 PolarHBondContact O-N 3.21Å; K284-M286 HydrophobicContact CD-CG 4.28Å; K284-M286 HydrophobicContact CG-CG 4.32Å; M286-I288 PolarHBondContact O-N 3.18Å
287T98.4Very high97.1Very high67 Ų6748.2 Ų48.241%0.41128%0.277SS..EExtended strand (participates in β ladder)trans-79.9110.9175.1-57.50000110.4Y256Y256-T287 WeakPolarHBondContact CE2-O 3.33Å; Y256-T287 PolarHBondContact OH-N 3.15Å
288I98.1Very high97.1Very high1 Ų150.8 Ų50.81%0.00529%0.288CS..G310 helixtrans-95134.9-172.8-61.2157.8000109.2F261 A264 I276 G277 L279 M286 G290 G291F261-I288 HydrophobicContact CD1-CD1 4.45Å; F261-I288 HydrophobicContact CD1-CG1 4.22Å; F261-I288 HydrophobicContact CE1-CD1 3.74Å; F261-I288 HydrophobicContact CE1-CG1 4Å; F261-I288 HydrophobicContact CE2-CD1 4.3Å; F261-I288 HydrophobicContact CZ-CD1 3.64Å; F261-I288 HydrophobicContact CZ-CG1 4.16Å; A264-I288 HydrophobicContact CB-CD1 3.82Å; A264-I288 HydrophobicContact CB-CG2 4.34Å; I276-I288 HydrophobicContact CG2-CD1 4.11Å; G277-I288 PolarHBondContact O-N 3.01Å; L279-I288 HydrophobicContact CB-CD1 4.39Å; L279-I288 HydrophobicContact CD1-CD1 3.8Å; L279-I288 HydrophobicContact CG-CD1 3.89Å; M286-I288 PolarHBondContact O-N 3.18Å; I288-G290 PolarHBondContact O-N 2.72Å; I288-G291 PolarHBondContact O-N 2.92Å
289N96.9Very high97Very high65 Ų6554.1 Ų54.135%0.34830%0.302SS..G310 helixtrans46.837.4-177.9-167.338.4000114.2D262 G291 K292 I293 G294D262-N289 WeakPolarHBondContact O-CB 3.39Å; N289-G291 PolarHBondContact O-N 3.45Å; N289-K292 WeakPolarHBondContact CB-O 3.46Å; N289-K292 PolarHBondContact ND2-O 2.8Å; N289-K292 PolarHBondContact O-N 2.81Å; N289-K292 VanDerWaalsContact O-N 3.15Å; N289-I293 PolarHBondContact ND2-O 3.27Å; N289-G294 VanDerWaalsContact ND2-CA 3.28Å; N289-G294 WeakPolarHBondContact ND2-CA 3.49Å; N289-G294 PolarHBondContact ND2-N 3.42Å
290G96Very high97Very high63 Ų6354.1 Ų54.165%0.64930%0.302SS*.G310 helixtrans61.625.2-176.500000114.7I288I288-G290 PolarHBondContact O-N 2.72Å
291G95.9Very high96.9Very high33 Ų3355.2 Ų55.234%0.3431%0.305SS..G310 helixtrans74.923.6-177.700000113.7P141 I288 N289P141-G291 WeakPolarHBondContact CG-O 3.41Å; I288-G291 PolarHBondContact O-N 2.92Å; N289-G291 PolarHBondContact O-N 3.45Å
292K95.2Very high96.8Very high150 Ų15055.6 Ų55.665%0.65231%0.312SS*.SBendtrans-120.8157.2-177.8-63.5-176.3-178.4179.50111.5P141 N289P141-K292 VanDerWaalsContact CG-C 3.42Å; N289-K292 WeakPolarHBondContact CB-O 3.46Å; N289-K292 PolarHBondContact ND2-O 2.8Å; N289-K292 PolarHBondContact O-N 2.81Å; N289-K292 VanDerWaalsContact O-N 3.15Å
293I95.6Very high96.8Very high42 Ų4255.3 Ų55.322%0.21530%0.304CS..  trans-60.7139.2168.8-173169.3000109.7L139 P141 P275 N289 S297 Q298L139-I293 HydrophobicContact CB-CD1 3.92Å; L139-I293 HydrophobicContact CD1-CD1 3.84Å; L139-I293 HydrophobicContact CG-CD1 4.32Å; P141-I293 VanDerWaalsContact CG-N 3.35Å; P275-I293 HydrophobicContact CB-CB 4.12Å; P275-I293 HydrophobicContact CB-CD1 4.49Å; P275-I293 HydrophobicContact CB-CG1 4.03Å; P275-I293 HydrophobicContact CG-CB 3.91Å; P275-I293 HydrophobicContact CG-CD1 3.51Å; P275-I293 HydrophobicContact CG-CG1 3.57Å; N289-I293 PolarHBondContact ND2-O 3.27Å; I293-S297 VanDerWaalsContact CG1-OG 3.3Å; I293-S297 WeakPolarHBondContact CG1-OG 3.29Å; I293-Q298 HydrophobicContact CD1-CB 3.88Å; I293-Q298 HydrophobicContact CG1-CB 4.21Å
294G96.5Very high96.9Very high4 Ų447.7 Ų47.74%0.04126%0.263CS..  trans-94.3165.2178.100000113.3E263 N289 I296 S297 Q298E263-G294 VanDerWaalsContact CD-C 3.49Å; E263-G294 WeakPolarHBondContact OE2-CA 3.49Å; N289-G294 VanDerWaalsContact ND2-CA 3.28Å; N289-G294 WeakPolarHBondContact ND2-CA 3.49Å; N289-G294 PolarHBondContact ND2-N 3.42Å; G294-I296 VanDerWaalsContact C-N 3.33Å; G294-I296 PolarHBondContact O-N 2.95Å; G294-S297 PolarHBondContact N-OG 3.27Å; G294-S297 VanDerWaalsContact N-OG 3.11Å; G294-S297 PolarHBondContact O-N 3.47Å; G294-S297 PolarHBondContact O-OG 3.03Å; G294-Q298 WeakPolarHBondContact O-CB 3.48Å; G294-Q298 PolarHBondContact O-N 3.47Å
295P97.2Very high96.8Very high93 Ų9345 Ų4560%0.60425%0.253SS*.Hα-helixtrans-61.7-34.6-176.123.6-34.9000114.1E263 K299E263-P295 WeakPolarHBondContact OE1-CD 3.43Å; E263-P295 VanDerWaalsContact OE1-CG 3.32Å; E263-P295 WeakPolarHBondContact OE1-CG 3.21Å; E263-P295 VanDerWaalsContact OE1-N 3.15Å; P295-K299 VanDerWaalsContact O-CB 3.26Å; P295-K299 WeakPolarHBondContact O-CB 3.45Å; P295-K299 PolarHBondContact O-N 3.11Å
296I98Very high96.7Very high13 Ų1340.9 Ų40.97%0.06723%0.234CC..Hα-helixtrans-72.1-48.5179.4-66.1175.2000110.1V207 V212 L235 Y240 E263 F265 G294 Q298 K299 L300V207-I296 HydrophobicContact CG1-CD1 3.84Å; V207-I296 HydrophobicContact CG2-CD1 3.88Å; V212-I296 HydrophobicContact CG2-CD1 4.19Å; V212-I296 HydrophobicContact CG2-CG2 4.43Å; L235-I296 HydrophobicContact CD2-CG2 3.62Å; Y240-I296 HydrophobicContact CD1-CD1 3.97Å; Y240-I296 HydrophobicContact CD1-CG1 4.43Å; Y240-I296 HydrophobicContact CE1-CD1 3.66Å; Y240-I296 HydrophobicContact CE1-CG1 3.74Å; E263-I296 WeakPolarHBondContact OE1-CB 3.36Å; E263-I296 PolarHBondContact OE1-N 3.48Å; E263-I296 PolarHBondContact OE2-N 2.88Å; F265-I296 HydrophobicContact CE1-CG2 4.42Å; G294-I296 VanDerWaalsContact C-N 3.33Å; G294-I296 PolarHBondContact O-N 2.95Å; I296-Q298 VanDerWaalsContact C-N 3.35Å; I296-Q298 PolarHBondContact O-N 3.07Å; I296-K299 PolarHBondContact O-N 3.24Å; I296-L300 HydrophobicContact CG2-CD1 4.35Å; I296-L300 WeakPolarHBondContact O-CB 3.42Å; I296-L300 PolarHBondContact O-N 2.97Å
297S96.9Very high96.6Very high2 Ų241.1 Ų41.11%0.01424%0.236CC..Hα-helixtrans-60.2-41.6177.143.90000112.5E263 I293 G294 Y301E263-S297 WeakPolarHBondContact OE2-CB 3.37Å; E263-S297 PolarHBondContact OE2-N 3.41Å; E263-S297 PolarHBondContact OE2-OG 2.95Å; I293-S297 VanDerWaalsContact CG1-OG 3.3Å; I293-S297 WeakPolarHBondContact CG1-OG 3.29Å; G294-S297 PolarHBondContact N-OG 3.27Å; G294-S297 VanDerWaalsContact N-OG 3.11Å; G294-S297 PolarHBondContact O-N 3.47Å; G294-S297 PolarHBondContact O-OG 3.03Å; S297-Y301 PolarHBondContact O-N 3.23Å
298Q96.3Very high96.5Very high60 Ų6038.2 Ų38.228%0.2822%0.218SC..Hα-helixtrans-62.4-49.7174.4-176.764.267.700111.7I293 G294 I296 L300 Y301 D302I293-Q298 HydrophobicContact CD1-CB 3.88Å; I293-Q298 HydrophobicContact CG1-CB 4.21Å; G294-Q298 WeakPolarHBondContact O-CB 3.48Å; G294-Q298 PolarHBondContact O-N 3.47Å; I296-Q298 VanDerWaalsContact C-N 3.35Å; I296-Q298 PolarHBondContact O-N 3.07Å; Q298-L300 VanDerWaalsContact C-N 3.32Å; Q298-L300 PolarHBondContact O-N 2.69Å; Q298-Y301 WeakPolarHBondContact O-CB 3.32Å; Q298-Y301 PolarHBondContact O-N 3.37Å; Q298-Y301 VanDerWaalsContact O-N 3.14Å; Q298-D302 PolarHBondContact NE2-OD1 3.32Å; Q298-D302 PolarHBondContact NE2-OD2 3.1Å; Q298-D302 PolarHBondContact O-N 2.96Å
299K97Very high96.4Very high90 Ų9039.7 Ų39.739%0.39122%0.223SC..Hα-helixtrans-60.1-41.6-179.9-176.1-177.8-66.8179.50112.2M238 Y240 P295 I296 T303M238-K299 HydrophobicContact CE-CD 4.26Å; M238-K299 HydrophobicContact CE-CG 4.2Å; M238-K299 HydrophobicContact SD-CD 3.63Å; M238-K299 HydrophobicContact SD-CG 4.09Å; Y240-K299 HydrophobicContact CE2-CD 4.46Å; Y240-K299 PolarHBondContact OH-NZ 2.76Å; P295-K299 VanDerWaalsContact O-CB 3.26Å; P295-K299 WeakPolarHBondContact O-CB 3.45Å; P295-K299 PolarHBondContact O-N 3.11Å; I296-K299 PolarHBondContact O-N 3.24Å; K299-T303 VanDerWaalsContact O-CB 3.3Å; K299-T303 WeakPolarHBondContact O-CB 3.33Å; K299-T303 PolarHBondContact O-N 2.95Å; K299-T303 PolarHBondContact O-OG1 3.32Å
300L97.5Very high96.3Very high1 Ų138.5 Ų38.51%0.00523%0.226CC..Hα-helixtrans-60-47.8174.5-86.4176.7000111.6C231 L234 L235 F265 I273 I296 Q298 T303 L304C231-L300 HydrophobicContact CB-CD1 4.36Å; C231-L300 HydrophobicContact CB-CD2 4.21Å; L234-L300 HydrophobicContact CB-CD2 4.43Å; L234-L300 HydrophobicContact CD2-CD2 3.91Å; L235-L300 HydrophobicContact CD1-CD1 4.09Å; L235-L300 HydrophobicContact CD2-CD1 4.1Å; L235-L300 HydrophobicContact CD2-CD2 4.07Å; L235-L300 HydrophobicContact CD2-CG 4.03Å; L235-L300 HydrophobicContact CG-CD1 4.17Å; L235-L300 HydrophobicContact CG-CD2 3.88Å; L235-L300 HydrophobicContact CG-CG 4.27Å; F265-L300 HydrophobicContact CE1-CD1 4.38Å; F265-L300 HydrophobicContact CE2-CD1 3.5Å; F265-L300 HydrophobicContact CZ-CD1 3.4Å; I273-L300 HydrophobicContact CD1-CB 4.01Å; I273-L300 HydrophobicContact CD1-CD1 4.24Å; I273-L300 HydrophobicContact CG1-CB 4.07Å; I296-L300 HydrophobicContact CG2-CD1 4.35Å; I296-L300 WeakPolarHBondContact O-CB 3.42Å; I296-L300 PolarHBondContact O-N 2.97Å; Q298-L300 VanDerWaalsContact C-N 3.32Å; Q298-L300 PolarHBondContact O-N 2.69Å; L300-T303 PolarHBondContact O-N 2.77Å; L300-L304 WeakPolarHBondContact O-CB 3.46Å; L300-L304 WeakPolarHBondContact O-CG 3.12Å; L300-L304 PolarHBondContact O-N 2.97Å
301Y95.8Very high96.3Very high56 Ų5641.5 Ų41.522%0.2222%0.221CC..Hα-helixtrans-58.8-55178.7178.9-93.3000110.6L139 V272 I273 S297 Q298 T303 L304 T305L139-Y301 HydrophobicContact CD1-CD1 3.55Å; L139-Y301 HydrophobicContact CD1-CD2 4.35Å; L139-Y301 HydrophobicContact CD1-CE1 3.88Å; L139-Y301 HydrophobicContact CD1-CG 3.78Å; L139-Y301 HydrophobicContact CD2-CD1 4.3Å; L139-Y301 HydrophobicContact CD2-CD2 3.57Å; L139-Y301 HydrophobicContact CD2-CE1 4.44Å; L139-Y301 HydrophobicContact CD2-CE2 3.73Å; L139-Y301 HydrophobicContact CD2-CG 3.85Å; L139-Y301 HydrophobicContact CG-CD1 4.37Å; L139-Y301 HydrophobicContact CG-CD2 4.46Å; L139-Y301 HydrophobicContact CG-CE1 4.38Å; L139-Y301 HydrophobicContact CG-CE2 4.47Å; L139-Y301 HydrophobicContact CG-CG 4.37Å; V272-Y301 HydrophobicContact CB-CD2 4.16Å; V272-Y301 HydrophobicContact CB-CE2 4.32Å; I273-Y301 HydrophobicContact CB-CD2 4.31Å; S297-Y301 PolarHBondContact O-N 3.23Å; Q298-Y301 WeakPolarHBondContact O-CB 3.32Å; Q298-Y301 PolarHBondContact O-N 3.37Å; Q298-Y301 VanDerWaalsContact O-N 3.14Å; Y301-T303 VanDerWaalsContact C-N 3.25Å; Y301-T303 PolarHBondContact O-N 3.49Å; Y301-L304 PolarHBondContact O-N 3.37Å; Y301-T305 HydrophobicContact CD1-CG2 4.23Å; Y301-T305 HydrophobicContact CD2-CG2 3.98Å; Y301-T305 HydrophobicContact CE1-CG2 3.99Å; Y301-T305 HydrophobicContact CE2-CG2 3.72Å; Y301-T305 HydrophobicContact CG-CG2 4.25Å; Y301-T305 VanDerWaalsContact O-CB 3.24Å; Y301-T305 WeakPolarHBondContact O-CB 3.33Å; Y301-T305 VanDerWaalsContact O-CG2 3.26Å; Y301-T305 WeakPolarHBondContact O-CG2 3.49Å; Y301-T305 PolarHBondContact O-N 2.89Å; Y301-T305 PolarHBondContact O-OG1 2.91Å
302D95.3Very high96.3Very high77 Ų7743.5 Ų43.541%0.41222%0.223SC..Hα-helixtrans-59.5-38.2-176.2-65.7-25.9000112Q298 T305 G306Q298-D302 PolarHBondContact NE2-OD1 3.32Å; Q298-D302 PolarHBondContact NE2-OD2 3.1Å; Q298-D302 PolarHBondContact O-N 2.96Å; D302-T305 WeakPolarHBondContact CA-OG1 3.44Å; D302-T305 PolarHBondContact O-OG1 2.91Å; D302-G306 WeakPolarHBondContact O-CA 3.37Å; D302-G306 PolarHBondContact O-N 3.48Å
303T97.3Very high96.3Very high26 Ų2640.6 Ų40.616%0.1622%0.22CC..Hα-helixtrans-75.7-47.7-177.6-50.20000111.6L234 M238 K299 L300 Y301 T305 G306 I307 L312L234-T303 HydrophobicContact CD1-CG2 3.96Å; L234-T303 HydrophobicContact CD2-CG2 3.7Å; L234-T303 HydrophobicContact CG-CG2 4.35Å; M238-T303 HydrophobicContact CE-CG2 3.74Å; M238-T303 WeakPolarHBondContact CE-OG1 3.43Å; K299-T303 VanDerWaalsContact O-CB 3.3Å; K299-T303 WeakPolarHBondContact O-CB 3.33Å; K299-T303 PolarHBondContact O-N 2.95Å; K299-T303 PolarHBondContact O-OG1 3.32Å; L300-T303 PolarHBondContact O-N 2.77Å; Y301-T303 VanDerWaalsContact C-N 3.25Å; Y301-T303 PolarHBondContact O-N 3.49Å; T303-T305 PolarHBondContact O-N 3.42Å; T303-G306 PolarHBondContact O-N 3.42Å; T303-I307 HydrophobicContact CG2-CD1 4.36Å; T303-I307 WeakPolarHBondContact O-CG1 3.44Å; T303-I307 PolarHBondContact O-N 3.47Å; T303-L312 HydrophobicContact CG2-CD1 4.11Å
304L97Very high96.4Very high0 Ų040.6 Ų40.60%022%0.22CC..Hα-helixtrans-62.8-45.4179.1-75.7171.2000111.5F52 T227 L234 V272 I273 L300 Y301 I307 Q308 W318F52-L304 HydrophobicContact CZ-CD2 4.24Å; T227-L304 HydrophobicContact CG2-CD1 4.23Å; L234-L304 HydrophobicContact CD2-CD2 4.32Å; L234-L304 HydrophobicContact CD2-CG 4.19Å; V272-L304 HydrophobicContact CG1-CB 3.85Å; V272-L304 HydrophobicContact CG1-CD1 3.87Å; I273-L304 HydrophobicContact CD1-CD1 4.47Å; L300-L304 WeakPolarHBondContact O-CB 3.46Å; L300-L304 WeakPolarHBondContact O-CG 3.12Å; L300-L304 PolarHBondContact O-N 2.97Å; Y301-L304 PolarHBondContact O-N 3.37Å; L304-I307 PolarHBondContact O-N 3.49Å; L304-Q308 WeakPolarHBondContact O-CG 3.43Å; L304-Q308 PolarHBondContact O-N 3.33Å; L304-W318 HydrophobicContact CD2-CZ3 4.12Å
305T95Very high96.4Very high11 Ų1146.8 Ų46.87%0.06725%0.248CC..Hα-helixtrans-66.3-40.5177.256.30000111.9V272 Y301 D302 T303 I307 Q308 W309V272-T305 HydrophobicContact CB-CG2 4.47Å; V272-T305 HydrophobicContact CG1-CG2 4.32Å; V272-T305 HydrophobicContact CG2-CG2 4.2Å; Y301-T305 HydrophobicContact CD1-CG2 4.23Å; Y301-T305 HydrophobicContact CD2-CG2 3.98Å; Y301-T305 HydrophobicContact CE1-CG2 3.99Å; Y301-T305 HydrophobicContact CE2-CG2 3.72Å; Y301-T305 HydrophobicContact CG-CG2 4.25Å; Y301-T305 VanDerWaalsContact O-CB 3.24Å; Y301-T305 WeakPolarHBondContact O-CB 3.33Å; Y301-T305 VanDerWaalsContact O-CG2 3.26Å; Y301-T305 WeakPolarHBondContact O-CG2 3.49Å; Y301-T305 PolarHBondContact O-N 2.89Å; Y301-T305 PolarHBondContact O-OG1 2.91Å; D302-T305 WeakPolarHBondContact CA-OG1 3.44Å; D302-T305 PolarHBondContact O-OG1 2.91Å; T303-T305 PolarHBondContact O-N 3.42Å; T305-I307 VanDerWaalsContact C-N 3.3Å; T305-I307 PolarHBondContact O-N 3.05Å; T305-Q308 PolarHBondContact O-N 3.36Å; T305-W309 VanDerWaalsContact CB-CE3 3.49Å; T305-W309 HydrophobicContact CG2-CE3 4.13Å; T305-W309 HydrophobicContact CG2-CH2 4.2Å; T305-W309 HydrophobicContact CG2-CZ3 3.37Å; T305-W309 PolarHBondContact O-N 2.95Å
306G95.9Very high96.4Very high4 Ų445.4 Ų45.44%0.04123%0.233CC..Hα-helixtrans-55.4-44.1173.400000112.4D302 T303 G310 K311 L312D302-G306 WeakPolarHBondContact O-CA 3.37Å; D302-G306 PolarHBondContact O-N 3.48Å; T303-G306 PolarHBondContact O-N 3.42Å; G306-G310 CarbonylContact O-C 3.48Å; G306-G310 PolarHBondContact O-N 2.87Å; G306-G310 VanDerWaalsContact O-N 3.15Å; G306-K311 WeakPolarHBondContact O-CA 3.47Å; G306-K311 PolarHBondContact O-N 3.43Å; G306-L312 PolarHBondContact O-N 2.9Å
307I97.3Very high96.4Very high5 Ų547.7 Ų47.73%0.02626%0.26CS..Hα-helixtrans-66.3-47.2175.3-66.2169.3000111.2F52 T303 L304 T305 W309 G310 L312 D314 W318 T319F52-I307 HydrophobicContact CE2-CG2 4.27Å; T303-I307 HydrophobicContact CG2-CD1 4.36Å; T303-I307 WeakPolarHBondContact O-CG1 3.44Å; T303-I307 PolarHBondContact O-N 3.47Å; L304-I307 PolarHBondContact O-N 3.49Å; T305-I307 VanDerWaalsContact C-N 3.3Å; T305-I307 PolarHBondContact O-N 3.05Å; I307-W309 PolarHBondContact O-N 3.26Å; I307-G310 PolarHBondContact O-N 2.81Å; I307-L312 HydrophobicContact CG1-CB 4.27Å; I307-D314 HydrophobicContact CG2-CB 4.04Å; I307-W318 HydrophobicContact CD1-CE3 4.38Å; I307-W318 HydrophobicContact CD1-CZ3 4.24Å; I307-T319 HydrophobicContact CG2-CG2 3.63Å
308Q96.4Very high96.4Very high7 Ų748.1 Ų48.13%0.03326%0.261CS..Hα-helixtrans-58.4-46.9-178.1-74.2167.10.900112.5Y42 F52 L304 T305 G310Y42-Q308 WeakPolarHBondContact CB-O 3.36Å; Y42-Q308 HydrophobicContact CD1-CB 3.99Å; Y42-Q308 HydrophobicContact CD2-CB 4.16Å; Y42-Q308 HydrophobicContact CE1-CB 3.8Å; Y42-Q308 HydrophobicContact CE1-CG 4.26Å; Y42-Q308 HydrophobicContact CE2-CB 4.01Å; Y42-Q308 HydrophobicContact CE2-CG 4.01Å; Y42-Q308 HydrophobicContact CG-CB 4.14Å; Y42-Q308 PolarHBondContact OH-NE2 3.41Å; Y42-Q308 PolarHBondContact OH-OE1 3.38Å; F52-Q308 HydrophobicContact CB-CG 4.11Å; F52-Q308 HydrophobicContact CD2-CG 3.61Å; F52-Q308 HydrophobicContact CE2-CG 4.17Å; F52-Q308 HydrophobicContact CG-CG 3.89Å; L304-Q308 WeakPolarHBondContact O-CG 3.43Å; L304-Q308 PolarHBondContact O-N 3.33Å; T305-Q308 PolarHBondContact O-N 3.36Å; Q308-G310 VanDerWaalsContact C-N 3.27Å; Q308-G310 PolarHBondContact O-N 2.8Å
309W95.2Very high96.5Very high32 Ų3246.6 Ų46.612%0.12126%0.256CS..THydrogen-bonded Turntrans-832.2177.5-75.5-70000114Y42 T99 T305 I307 K311Y42-W309 HydrophobicContact CD1-CD2 4.24Å; Y42-W309 AromaticContact CD1-CE2 3.7Å; Y42-W309 HydrophobicContact CD1-CG 4.45Å; Y42-W309 HydrophobicContact CD1-CZ2 4Å; Y42-W309 AromaticContact CD1-NE1 3.69Å; Y42-W309 HydrophobicContact CE1-CZ2 4.11Å; T99-W309 PolarHBondContact O-NE1 2.79Å; T305-W309 VanDerWaalsContact CB-CE3 3.49Å; T305-W309 HydrophobicContact CG2-CE3 4.13Å; T305-W309 HydrophobicContact CG2-CH2 4.2Å; T305-W309 HydrophobicContact CG2-CZ3 3.37Å; T305-W309 PolarHBondContact O-N 2.95Å; I307-W309 PolarHBondContact O-N 3.26Å; W309-K311 VanDerWaalsContact C-N 3.27Å; W309-K311 HydrophobicContact CB-CG 4.31Å; W309-K311 PolarHBondContact O-N 3.4Å
310G94.9Very high96.5Very high39 Ų3944.6 Ų44.640%0.40225%0.251SS..THydrogen-bonded Turntrans69.220.6178.600000114.6G306 I307 Q308G306-G310 CarbonylContact O-C 3.48Å; G306-G310 PolarHBondContact O-N 2.87Å; G306-G310 VanDerWaalsContact O-N 3.15Å; I307-G310 PolarHBondContact O-N 2.81Å; Q308-G310 VanDerWaalsContact C-N 3.27Å; Q308-G310 PolarHBondContact O-N 2.8Å
311K95.4Very high96.5Very high126 Ų12649.6 Ų49.655%0.54827%0.273SS..SBendtrans-79.3-26.3173.6-60.1178.8177.6-179.60112.3E97 G306 W309E97-K311 IonicContact OE1-NZ 2.71Å; E97-K311 PolarHBondContact OE1-NZ 2.84Å; G306-K311 WeakPolarHBondContact O-CA 3.47Å; G306-K311 PolarHBondContact O-N 3.43Å; W309-K311 VanDerWaalsContact C-N 3.27Å; W309-K311 HydrophobicContact CB-CG 4.31Å; W309-K311 PolarHBondContact O-N 3.4Å
312L96.9Very high96.4Very high75 Ų7547.3 Ų47.339%0.39326%0.264SS..SBendtrans-118.7150.9175.7-64.8179000109.9T303 G306 I307T303-L312 HydrophobicContact CG2-CD1 4.11Å; G306-L312 PolarHBondContact O-N 2.9Å; I307-L312 HydrophobicContact CG1-CB 4.27Å
313P95.7Very high95.5Very high89 Ų8951.4 Ų51.458%0.57829%0.286SS*.  trans-64144.1175.828.6-35000110.8E315P313-E315 HydrophobicContact CG-CG 4.47Å; P313-E315 PolarHBondContact O-N 2.76Å
314D96.9Very high95.4Very high42 Ų4252.7 Ų52.723%0.22529%0.292CS..  trans-92.584.1173.7177.918000110I307 F316 G317 W318 T319I307-D314 HydrophobicContact CG2-CB 4.04Å; D314-F316 PolarHBondContact O-N 2.96Å; D314-F316 PolarHBondContact OD1-N 2.72Å; D314-G317 PolarHBondContact OD1-N 2.86Å; D314-G317 WeakPolarHBondContact OD2-CA 3.36Å; D314-W318 VanDerWaalsContact CG-N 3.28Å; D314-W318 PolarHBondContact OD1-N 3.41Å; D314-W318 PolarHBondContact OD2-N 2.93Å; D314-T319 HydrophobicContact CB-CG2 4.34Å; D314-T319 WeakPolarHBondContact OD2-CA 3.47Å; D314-T319 WeakPolarHBondContact OD2-CB 3.42Å; D314-T319 PolarHBondContact OD2-N 2.7Å; D314-T319 PolarHBondContact OD2-OG1 3.31Å
315E96.3Very high95.3Very high134 Ų13455.4 Ų55.463%0.62631%0.308SS*.THydrogen-bonded Turntrans-70.1-11.7-178.4-61.2-175.6-175.400113.5H237 P313H237-E315 IonicContact CE1-OE2 3.23Å; H237-E315 IonicContact NE2-OE2 3.4Å; P313-E315 HydrophobicContact CG-CG 4.47Å; P313-E315 PolarHBondContact O-N 2.76Å
316F97.4Very high95.3Very high64 Ų6457.9 Ų57.928%0.28132%0.321SS..THydrogen-bonded Turntrans-107.1-5-174.6-57.1-88.9000113.4L234 H237 D314 W318L234-F316 HydrophobicContact CD1-CE2 3.79Å; L234-F316 HydrophobicContact CD1-CZ 4.1Å; H237-F316 HydrophobicContact CB-CE1 4.23Å; H237-F316 HydrophobicContact CB-CZ 3.81Å; H237-F316 AromaticContact CG-CZ 3.68Å; H237-F316 AromaticContact ND1-CZ 3.95Å; D314-F316 PolarHBondContact O-N 2.96Å; D314-F316 PolarHBondContact OD1-N 2.72Å; F316-W318 VanDerWaalsContact C-N 3.32Å; F316-W318 HydrophobicContact CB-CD2 3.63Å; F316-W318 HydrophobicContact CB-CE3 4.28Å; F316-W318 HydrophobicContact CB-CG 3.84Å; F316-W318 HydrophobicContact CB-CH2 4.41Å; F316-W318 HydrophobicContact CB-CZ2 3.76Å; F316-W318 VanDerWaalsContact CB-NE1 3.32Å; F316-W318 HydrophobicContact CD1-CH2 4.31Å; F316-W318 AromaticContact CD1-CZ2 3.8Å; F316-W318 HydrophobicContact CD1-CZ2 3.8Å; F316-W318 HydrophobicContact CD2-CD2 4.37Å; F316-W318 HydrophobicContact CD2-CE3 4.21Å; F316-W318 AromaticContact CD2-CH2 3.76Å; F316-W318 HydrophobicContact CD2-CH2 3.76Å; F316-W318 AromaticContact CD2-CZ2 3.91Å; F316-W318 HydrophobicContact CD2-CZ2 3.91Å; F316-W318 AromaticContact CD2-CZ3 3.92Å; F316-W318 HydrophobicContact CD2-CZ3 3.92Å; F316-W318 HydrophobicContact CE1-CZ2 4.38Å; F316-W318 HydrophobicContact CE2-CH2 4.07Å; F316-W318 HydrophobicContact CE2-CZ2 4.48Å; F316-W318 HydrophobicContact CE2-CZ3 4.38Å; F316-W318 HydrophobicContact CG-CD2 4.17Å; F316-W318 AromaticContact CG-CE2 3.69Å; F316-W318 HydrophobicContact CG-CE3 4.46Å; F316-W318 AromaticContact CG-CH2 3.91Å; F316-W318 HydrophobicContact CG-CH2 3.91Å; F316-W318 AromaticContact CG-CZ2 3.54Å; F316-W318 HydrophobicContact CG-CZ2 3.54Å; F316-W318 HydrophobicContact CG-CZ3 4.35Å; F316-W318 HydrophobicContact CZ-CH2 4.46Å; F316-W318 PolarHBondContact O-N 3.11Å
317G97.5Very high95.3Very high61 Ų6161.1 Ų61.163%0.62934%0.338SS*.  trans64.234.9-175.700000113.1D314D314-G317 PolarHBondContact OD1-N 2.86Å; D314-G317 WeakPolarHBondContact OD2-CA 3.36Å
318W98.3Very high95.2Very high11 Ų1164.6 Ų64.64%0.04236%0.357CS..  trans-81.2-20.3-179.4-70.9-12.9000114.1F52 R53 E233 L234 L304 I307 D314 F316F52-W318 HydrophobicContact CD2-CB 4.3Å; F52-W318 HydrophobicContact CE2-CB 3.85Å; F52-W318 HydrophobicContact CE2-CD2 4.31Å; F52-W318 AromaticContact CE2-CE3 3.72Å; F52-W318 HydrophobicContact CE2-CE3 3.72Å; F52-W318 HydrophobicContact CE2-CG 4.42Å; F52-W318 HydrophobicContact CZ-CB 4.33Å; F52-W318 HydrophobicContact CZ-CD2 4.19Å; F52-W318 AromaticContact CZ-CE3 3.67Å; F52-W318 HydrophobicContact CZ-CE3 3.67Å; F52-W318 HydrophobicContact CZ-CZ3 4.37Å; R53-W318 WeakPolarHBondContact CA-O 3.29Å; R53-W318 HydrophobicContact CG-CB 3.62Å; R53-W318 HydrophobicContact CG-CG 3.79Å; R53-W318 PolarHBondContact N-O 3.48Å; E233-W318 HydrophobicContact CB-CH2 4.2Å; E233-W318 HydrophobicContact CB-CZ2 3.8Å; E233-W318 HydrophobicContact CG-CZ2 4.41Å; E233-W318 VanDerWaalsContact OE2-CZ2 3.32Å; E233-W318 WeakPolarHBondContact OE2-CZ2 3.49Å; E233-W318 PolarHBondContact OE2-NE1 3.28Å; L234-W318 HydrophobicContact CB-CH2 4.39Å; L304-W318 HydrophobicContact CD2-CZ3 4.12Å; I307-W318 HydrophobicContact CD1-CE3 4.38Å; I307-W318 HydrophobicContact CD1-CZ3 4.24Å; D314-W318 VanDerWaalsContact CG-N 3.28Å; D314-W318 PolarHBondContact OD1-N 3.41Å; D314-W318 PolarHBondContact OD2-N 2.93Å; F316-W318 VanDerWaalsContact C-N 3.32Å; F316-W318 HydrophobicContact CB-CD2 3.63Å; F316-W318 HydrophobicContact CB-CE3 4.28Å; F316-W318 HydrophobicContact CB-CG 3.84Å; F316-W318 HydrophobicContact CB-CH2 4.41Å; F316-W318 HydrophobicContact CB-CZ2 3.76Å; F316-W318 VanDerWaalsContact CB-NE1 3.32Å; F316-W318 HydrophobicContact CD1-CH2 4.31Å; F316-W318 AromaticContact CD1-CZ2 3.8Å; F316-W318 HydrophobicContact CD1-CZ2 3.8Å; F316-W318 HydrophobicContact CD2-CD2 4.37Å; F316-W318 HydrophobicContact CD2-CE3 4.21Å; F316-W318 AromaticContact CD2-CH2 3.76Å; F316-W318 HydrophobicContact CD2-CH2 3.76Å; F316-W318 AromaticContact CD2-CZ2 3.91Å; F316-W318 HydrophobicContact CD2-CZ2 3.91Å; F316-W318 AromaticContact CD2-CZ3 3.92Å; F316-W318 HydrophobicContact CD2-CZ3 3.92Å; F316-W318 HydrophobicContact CE1-CZ2 4.38Å; F316-W318 HydrophobicContact CE2-CH2 4.07Å; F316-W318 HydrophobicContact CE2-CZ2 4.48Å; F316-W318 HydrophobicContact CE2-CZ3 4.38Å; F316-W318 HydrophobicContact CG-CD2 4.17Å; F316-W318 AromaticContact CG-CE2 3.69Å; F316-W318 HydrophobicContact CG-CE3 4.46Å; F316-W318 AromaticContact CG-CH2 3.91Å; F316-W318 HydrophobicContact CG-CH2 3.91Å; F316-W318 AromaticContact CG-CZ2 3.54Å; F316-W318 HydrophobicContact CG-CZ2 3.54Å; F316-W318 HydrophobicContact CG-CZ3 4.35Å; F316-W318 HydrophobicContact CZ-CH2 4.46Å; F316-W318 PolarHBondContact O-N 3.11Å
319T97.7Very high95.1Very high29 Ų2968.4 Ų68.418%0.17838%0.379CS..EExtended strand (participates in β ladder)trans-99.5137-173.766.60000111.7R44 L51 F52 I307 D314R44-T319 PolarHBondContact NH2-OG1 2.59Å; L51-T319 VanDerWaalsContact O-CA 3.29Å; L51-T319 WeakPolarHBondContact O-CA 3.43Å; F52-T319 HydrophobicContact CD2-CG2 4.17Å; I307-T319 HydrophobicContact CG2-CG2 3.63Å; D314-T319 HydrophobicContact CB-CG2 4.34Å; D314-T319 WeakPolarHBondContact OD2-CA 3.47Å; D314-T319 WeakPolarHBondContact OD2-CB 3.42Å; D314-T319 PolarHBondContact OD2-N 2.7Å; D314-T319 PolarHBondContact OD2-OG1 3.31Å
320V97.7Very high95.1Very high48 Ų4871 Ų7129%0.29140%0.397SS..EExtended strand (participates in β ladder)trans-120.4125.7-179.7-176.80000107.8G50 L51 P54G50-V320 CarbonylContact C-O 3.59Å; G50-V320 WeakPolarHBondContact CA-O 3.24Å; L51-V320 HydrophobicContact CB-CB 4.43Å; L51-V320 PolarHBondContact N-O 3.44Å; L51-V320 PolarHBondContact O-N 2.96Å; P54-V320 HydrophobicContact CG-CB 4.04Å; P54-V320 HydrophobicContact CG-CG2 3.71Å
321K96.1Very high95.1Very high105 Ų10573.5 Ų73.546%0.45740%0.397SS..EExtended strand (participates in β ladder)trans-77.4146.1177.1-162.8-173.3171.5-166.50110.4
322I93.4Very high95.1Very high9 Ų969.1 Ų69.15%0.04638%0.384CS..EExtended strand (participates in β ladder)trans-89.3122.4163.3-54.2-170.4000107I49 L51 K83 V86 E87I49-I322 HydrophobicContact CB-CB 4.41Å; I49-I322 HydrophobicContact CB-CD1 4.39Å; I49-I322 HydrophobicContact CG2-CD1 3.68Å; I49-I322 HydrophobicContact CG2-CG1 4.17Å; I49-I322 PolarHBondContact O-N 2.79Å; L51-I322 HydrophobicContact CD1-CD1 4.48Å; L51-I322 HydrophobicContact CD1-CG1 4.42Å; L51-I322 HydrophobicContact CD2-CD1 4.09Å; L51-I322 HydrophobicContact CG-CD1 4.16Å; L51-I322 HydrophobicContact CG-CG1 4.13Å; K83-I322 HydrophobicContact CG-CG1 4.44Å; V86-I322 HydrophobicContact CB-CD1 3.55Å; V86-I322 HydrophobicContact CG1-CD1 3.25Å; V86-I322 HydrophobicContact CG2-CD1 4.38Å; E87-I322 HydrophobicContact CB-CG2 3.95Å
323D77.2Confident94.9Very high162 Ų16268.5 Ų68.587%0.86638%0.383SS*.  trans-98.60-177.4-64.2-39.9000111.6

Retrieved 323 of 323 residues in 172.2 ms (Link to these results)

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