A0A096LWT7_POEFO Loading...

Spleen tyrosine kinase

AlphaFold DB , UniProt , Accession A0A096LWT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 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
1M40.3Very low75Confident221 Ų22172.5 Ų72.5100%1.08940%0.397SS*.  0330-65.3-172.1-170.300113.3
2A44Very low76.6Confident42 Ų4266.6 Ų66.635%0.34737%0.365SS..  trans-96.8-4155.300000111.1N4 V5A2-N4 PolarHBondContact O-N 3.17Å; A2-N4 VanDerWaalsContact O-N 3.11Å; A2-V5 PolarHBondContact O-N 3.37Å
3D50.2Low77.7Confident127 Ų12761.5 Ų61.568%0.67934%0.338SS*.THydrogen-bonded Turntrans-64.5-14.8-171-64.4-66.6000115.2
4N69.1Low78.4Confident120 Ų12059 Ų5964%0.64232%0.323SS*.THydrogen-bonded Turntrans-97.61.3-173.9-141.210.8000114.7A2 Y6 A7A2-N4 PolarHBondContact O-N 3.17Å; A2-N4 VanDerWaalsContact O-N 3.11Å; N4-Y6 VanDerWaalsContact C-N 3.31Å; N4-Y6 PolarHBondContact O-N 3.46Å; N4-A7 PolarHBondContact O-N 2.94Å; N4-A7 WeakPolarHBondContact OD1-CB 3.2Å
5V81.1Confident79.1Confident4 Ų455.1 Ų55.12%0.02430%0.302CS..THydrogen-bonded Turntrans-67.5-34.2177.1178.80000111.5A2 A7 L8 F11 L36 F46 P80A2-V5 PolarHBondContact O-N 3.37Å; V5-A7 PolarHBondContact O-N 3.44Å; V5-L8 HydrophobicContact CB-CD1 4.42Å; V5-L8 HydrophobicContact CG1-CD1 4.17Å; V5-L8 HydrophobicContact CG2-CD1 4.49Å; V5-L8 WeakPolarHBondContact O-CB 2.92Å; V5-L8 PolarHBondContact O-N 2.9Å; V5-F11 HydrophobicContact CG1-CB 4.21Å; V5-F11 HydrophobicContact CG1-CD1 4.02Å; V5-F11 HydrophobicContact CG1-CD2 3.67Å; V5-F11 HydrophobicContact CG1-CE1 4.27Å; V5-F11 HydrophobicContact CG1-CE2 3.95Å; V5-F11 HydrophobicContact CG1-CG 3.69Å; V5-F11 HydrophobicContact CG1-CZ 4.23Å; V5-F11 WeakPolarHBondContact O-CB 3.4Å; V5-F11 WeakPolarHBondContact O-CD1 3.48Å; V5-L36 HydrophobicContact CG1-CD2 3.81Å; V5-F46 HydrophobicContact CB-CE1 4.23Å; V5-F46 HydrophobicContact CB-CZ 4.28Å; V5-F46 HydrophobicContact CG1-CD1 4.21Å; V5-F46 HydrophobicContact CG1-CE1 3.52Å; V5-F46 HydrophobicContact CG1-CZ 4.04Å; V5-F46 HydrophobicContact CG2-CE1 4.42Å; V5-F46 HydrophobicContact CG2-CZ 4.1Å; V5-P80 HydrophobicContact CG2-CB 4.28Å; V5-P80 HydrophobicContact CG2-CG 3.96Å
6Y79.9Confident79.7Confident109 Ų10953.6 Ų53.643%0.42730%0.295SS..THydrogen-bonded Turntrans-63-28.5177.6-72-82.6000113.1N4 L8 F11 R104 P110N4-Y6 VanDerWaalsContact C-N 3.31Å; N4-Y6 PolarHBondContact O-N 3.46Å; Y6-L8 VanDerWaalsContact C-N 3.35Å; Y6-F11 HydrophobicContact CD1-CD1 4.44Å; Y6-F11 AromaticContact CD1-CE1 3.77Å; Y6-F11 HydrophobicContact CD1-CE1 3.77Å; Y6-F11 AromaticContact CE1-CE1 3.92Å; Y6-F11 HydrophobicContact CE1-CE1 3.92Å; Y6-F11 HydrophobicContact CG-CE1 4.33Å; Y6-R104 PolarHBondContact O-NH1 3.34Å; Y6-P110 HydrophobicContact CD1-CG 4.06Å
7A84.9Confident80.4Confident63 Ų6357.5 Ų57.552%0.52130%0.304SS..THydrogen-bonded Turntrans-79.1-16.517600000113.1N4 V5N4-A7 PolarHBondContact O-N 2.94Å; N4-A7 WeakPolarHBondContact OD1-CB 3.2Å; V5-A7 PolarHBondContact O-N 3.44Å
8L91.1Very high81.1Confident27 Ų2760.7 Ų60.714%0.14132%0.318CS..  trans-64.4127.8-178.8-63.8176.8000110.2V5 Y6 F10 F11 L36 R104V5-L8 HydrophobicContact CB-CD1 4.42Å; V5-L8 HydrophobicContact CG1-CD1 4.17Å; V5-L8 HydrophobicContact CG2-CD1 4.49Å; V5-L8 WeakPolarHBondContact O-CB 2.92Å; V5-L8 PolarHBondContact O-N 2.9Å; Y6-L8 VanDerWaalsContact C-N 3.35Å; L8-F10 HydrophobicContact CB-CE1 4.37Å; L8-F10 HydrophobicContact CB-CE2 4.27Å; L8-F10 HydrophobicContact CB-CZ 4.17Å; L8-F10 HydrophobicContact CD1-CE2 3.9Å; L8-F10 HydrophobicContact CD1-CZ 3.88Å; L8-F10 HydrophobicContact CD2-CE1 4.34Å; L8-F10 HydrophobicContact CD2-CZ 4.06Å; L8-F10 HydrophobicContact CG-CZ 4.27Å; L8-F10 PolarHBondContact O-N 3.46Å; L8-F11 HydrophobicContact CB-CB 3.96Å; L8-F11 PolarHBondContact O-N 3.36Å; L8-F11 VanDerWaalsContact O-N 3.11Å; L8-L36 HydrophobicContact CD1-CD2 4.37Å; L8-R104 PolarHBondContact O-NH2 3.26Å
9P93.9Very high81.8Confident63 Ų6360.6 Ų60.641%0.40932%0.315SS..THydrogen-bonded Turntrans-67.1-22.6-175.726.1-33.8000112.4N103 R104P9-N103 HydrophobicContact CB-CB 4.24Å; P9-N103 CarbonylContact O-C 3.56Å; P9-N103 WeakPolarHBondContact O-CA 3.41Å; P9-R104 WeakPolarHBondContact O-CB 3.42Å; P9-R104 WeakPolarHBondContact O-CG 3.27Å; P9-R104 PolarHBondContact O-N 3.09Å
10F95Very high82.5Confident20 Ų2057.6 Ų57.69%0.08830%0.3CS..THydrogen-bonded Turntrans-98.29.3177.854.5-96.2000113.9L8 Y34 L36 P101 C102L8-F10 HydrophobicContact CB-CE1 4.37Å; L8-F10 HydrophobicContact CB-CE2 4.27Å; L8-F10 HydrophobicContact CB-CZ 4.17Å; L8-F10 HydrophobicContact CD1-CE2 3.9Å; L8-F10 HydrophobicContact CD1-CZ 3.88Å; L8-F10 HydrophobicContact CD2-CE1 4.34Å; L8-F10 HydrophobicContact CD2-CZ 4.06Å; L8-F10 HydrophobicContact CG-CZ 4.27Å; L8-F10 PolarHBondContact O-N 3.46Å; F10-Y34 HydrophobicContact CD2-CE2 4.01Å; F10-Y34 HydrophobicContact CE2-CE2 4.13Å; F10-Y34 HydrophobicContact CG-CE2 4.42Å; F10-L36 HydrophobicContact CD2-CB 4.04Å; F10-L36 HydrophobicContact CE2-CB 4.34Å; F10-L36 PolarHBondContact O-N 2.99Å; F10-P101 HydrophobicContact CB-CB 3.76Å; F10-P101 HydrophobicContact CD1-CB 3.52Å; F10-P101 HydrophobicContact CD1-CG 4.35Å; F10-P101 HydrophobicContact CE1-CB 4.33Å; F10-P101 HydrophobicContact CG-CB 3.78Å; F10-C102 WeakPolarHBondContact CA-O 3.27Å; F10-C102 WeakPolarHBondContact CB-O 2.93Å
11F95.3Very high83.1Confident1 Ų157 Ų570%0.00430%0.295CS..BIsolated β-bridgetrans-94.1117.3173.8175.7-112.2000111.3V5 Y6 L8 L36 Q38 F46 R104 P110V5-F11 HydrophobicContact CG1-CB 4.21Å; V5-F11 HydrophobicContact CG1-CD1 4.02Å; V5-F11 HydrophobicContact CG1-CD2 3.67Å; V5-F11 HydrophobicContact CG1-CE1 4.27Å; V5-F11 HydrophobicContact CG1-CE2 3.95Å; V5-F11 HydrophobicContact CG1-CG 3.69Å; V5-F11 HydrophobicContact CG1-CZ 4.23Å; V5-F11 WeakPolarHBondContact O-CB 3.4Å; V5-F11 WeakPolarHBondContact O-CD1 3.48Å; Y6-F11 HydrophobicContact CD1-CD1 4.44Å; Y6-F11 AromaticContact CD1-CE1 3.77Å; Y6-F11 HydrophobicContact CD1-CE1 3.77Å; Y6-F11 AromaticContact CE1-CE1 3.92Å; Y6-F11 HydrophobicContact CE1-CE1 3.92Å; Y6-F11 HydrophobicContact CG-CE1 4.33Å; L8-F11 HydrophobicContact CB-CB 3.96Å; L8-F11 PolarHBondContact O-N 3.36Å; L8-F11 VanDerWaalsContact O-N 3.11Å; F11-L36 CarbonylContact C-O 3.58Å; F11-L36 VanDerWaalsContact CA-O 3.3Å; F11-L36 WeakPolarHBondContact CA-O 3.49Å; F11-L36 HydrophobicContact CD2-CB 4.17Å; F11-L36 HydrophobicContact CD2-CD2 3.99Å; F11-L36 HydrophobicContact CD2-CG 3.93Å; F11-Q38 HydrophobicContact CE2-CB 4.45Å; F11-Q38 HydrophobicContact CZ-CB 4.3Å; F11-F46 HydrophobicContact CD2-CD1 4.43Å; F11-F46 HydrophobicContact CD2-CE1 4.49Å; F11-F46 AromaticContact CE2-CD1 3.77Å; F11-F46 HydrophobicContact CE2-CD1 3.77Å; F11-F46 AromaticContact CE2-CE1 3.74Å; F11-F46 HydrophobicContact CE2-CE1 3.74Å; F11-F46 HydrophobicContact CZ-CD1 4.5Å; F11-F46 HydrophobicContact CZ-CE1 4.08Å; F11-R104 WeakPolarHBondContact O-CD 3.36Å; F11-R104 PolarHBondContact O-NH1 3.15Å; F11-P110 HydrophobicContact CD1-CB 3.95Å; F11-P110 HydrophobicContact CD1-CG 4.46Å; F11-P110 HydrophobicContact CE1-CB 4.02Å
12Y93.9Very high85.8Confident2 Ų249.4 Ų49.41%0.00826%0.261CS..  trans-95-2.4-174.4-77.4-108.1000114.7I15 Y23 L35 L36 C102 N103 R104 M108 K111Y12-I15 VanDerWaalsContact CB-CD1 3.43Å; Y12-I15 HydrophobicContact CD1-CD1 4.1Å; Y12-I15 HydrophobicContact CG-CD1 3.85Å; Y12-Y23 AromaticContact CD1-CD2 3.63Å; Y12-Y23 HydrophobicContact CD1-CD2 3.63Å; Y12-Y23 AromaticContact CD1-CE2 3.64Å; Y12-Y23 HydrophobicContact CD1-CE2 3.64Å; Y12-Y23 HydrophobicContact CD1-CG 4.18Å; Y12-Y23 AromaticContact CE1-CD1 3.8Å; Y12-Y23 HydrophobicContact CE1-CD1 3.8Å; Y12-Y23 AromaticContact CE1-CD2 3.46Å; Y12-Y23 HydrophobicContact CE1-CD2 3.46Å; Y12-Y23 VanDerWaalsContact CE1-CD2 3.46Å; Y12-Y23 HydrophobicContact CE1-CE1 4.04Å; Y12-Y23 AromaticContact CE1-CE2 3.73Å; Y12-Y23 HydrophobicContact CE1-CE2 3.73Å; Y12-Y23 AromaticContact CE1-CG 3.51Å; Y12-Y23 HydrophobicContact CE1-CG 3.51Å; Y12-L35 HydrophobicContact CD2-CB 3.94Å; Y12-L35 HydrophobicContact CD2-CD1 4.16Å; Y12-L35 HydrophobicContact CD2-CD2 4.11Å; Y12-L35 HydrophobicContact CD2-CG 4.31Å; Y12-L35 HydrophobicContact CE2-CB 3.79Å; Y12-L35 HydrophobicContact CE2-CD2 3.85Å; Y12-L35 HydrophobicContact CE2-CG 4.32Å; Y12-L36 PolarHBondContact N-O 2.79Å; Y12-C102 WeakPolarHBondContact CE2-O 3.35Å; Y12-C102 PolarHBondContact OH-SG 3.2Å; Y12-C102 VanDerWaalsContact OH-SG 3.42Å; Y12-N103 PolarHBondContact OH-O 3.3Å; Y12-N103 VanDerWaalsContact OH-O 3.13Å; Y12-R104 HydrophobicContact CD1-CG 3.98Å; Y12-R104 HydrophobicContact CD2-CG 4.02Å; Y12-R104 HydrophobicContact CE1-CB 4.49Å; Y12-R104 HydrophobicContact CE1-CG 3.91Å; Y12-R104 HydrophobicContact CE2-CG 3.93Å; Y12-R104 HydrophobicContact CG-CG 4.04Å; Y12-R104 PolarHBondContact OH-N 3.31Å; Y12-M108 HydrophobicContact CD1-CE 3.85Å; Y12-M108 HydrophobicContact CD1-SD 4.34Å; Y12-M108 HydrophobicContact CE1-CE 4.29Å; Y12-M108 HydrophobicContact CE1-SD 4.23Å; Y12-K111 PolarHBondContact O-N 3.18Å
13G90.9Very high88.3Confident1 Ų149.8 Ų49.81%0.0125%0.254CS..BIsolated β-bridgetrans72.4-147.8-172.700000112.4I15 R37 Q38 K111G13-I15 VanDerWaalsContact C-N 3.26Å; G13-I15 PolarHBondContact O-N 3.12Å; G13-R37 WeakPolarHBondContact O-CB 3.27Å; G13-Q38 PolarHBondContact O-N 3.14Å; G13-K111 CarbonylContact C-O 3.45Å; G13-K111 WeakPolarHBondContact CA-O 3.12Å
14N87.3Confident90.5Very high26 Ų2643.8 Ų43.814%0.13922%0.222CC..SBendtrans-81.859.3-173.5-167.641.1000113.6Q38 R40 K111 G113 P114N14-Q38 HydrophobicContact CB-CB 4.41Å; N14-R40 VanDerWaalsContact OD1-CG 3.27Å; N14-R40 WeakPolarHBondContact OD1-CG 3.49Å; N14-K111 PolarHBondContact N-O 2.93Å; N14-G113 WeakPolarHBondContact ND2-CA 3.35Å; N14-P114 WeakPolarHBondContact ND2-CD 3.11Å
15I89.9Confident91.8Very high1 Ų143.8 Ų43.81%0.00521%0.213CC..  trans-89.2154.7172.762.9162.2000112.3Y12 G13 E19 A20 Y23 L35 R37 K111Y12-I15 VanDerWaalsContact CB-CD1 3.43Å; Y12-I15 HydrophobicContact CD1-CD1 4.1Å; Y12-I15 HydrophobicContact CG-CD1 3.85Å; G13-I15 VanDerWaalsContact C-N 3.26Å; G13-I15 PolarHBondContact O-N 3.12Å; I15-E19 WeakPolarHBondContact CA-OE2 3.46Å; I15-E19 HydrophobicContact CB-CB 3.99Å; I15-E19 WeakPolarHBondContact CB-OE2 3.47Å; I15-A20 HydrophobicContact CD1-CB 3.81Å; I15-Y23 HydrophobicContact CD1-CD2 4.02Å; I15-Y23 HydrophobicContact CD1-CE2 4.21Å; I15-L35 HydrophobicContact CD1-CD1 4.21Å; I15-R37 HydrophobicContact CD1-CB 4.31Å; I15-R37 HydrophobicContact CG1-CB 3.7Å; I15-R37 HydrophobicContact CG1-CG 4.39Å; I15-K111 HydrophobicContact CG2-CB 4.01Å; I15-K111 HydrophobicContact CG2-CD 3.89Å
16T88.8Confident92.4Very high31 Ų3150.3 Ų50.319%0.1924%0.243CC..  trans-73.6173.6175.883.80000112.2E18 E19 A20T16-E18 VanDerWaalsContact C-N 3.32Å; T16-E18 WeakPolarHBondContact CB-OE2 3.47Å; T16-E18 PolarHBondContact OG1-N 3.37Å; T16-E18 PolarHBondContact OG1-OE2 3.35Å; T16-E19 HydrophobicContact CG2-CG 4.42Å; T16-E19 PolarHBondContact N-OE2 2.84Å; T16-E19 PolarHBondContact OG1-N 2.59Å; T16-E19 VanDerWaalsContact OG1-N 3.07Å; T16-A20 WeakPolarHBondContact O-CB 3.07Å; T16-A20 PolarHBondContact O-N 3.16Å; T16-A20 VanDerWaalsContact O-N 3.16Å
17R91Very high93Very high119 Ų11946.9 Ų46.945%0.44924%0.238SC..Hα-helixtrans-65.9-42.6174.2-76.8178.1176.1180-4.5110A20 E21R17-A20 WeakPolarHBondContact O-CB 3.43Å; R17-A20 PolarHBondContact O-N 2.78Å; R17-A20 VanDerWaalsContact O-N 3.15Å; R17-E21 WeakPolarHBondContact O-CG 3.07Å; R17-E21 PolarHBondContact O-N 3.4Å
18E92.8Very high93.3Very high116 Ų11646 Ų4654%0.54224%0.235SC..Hα-helixtrans-65.5-44.6-178.5-53.969.5-145.700110.6T16 A20 E21 V22T16-E18 VanDerWaalsContact C-N 3.32Å; T16-E18 WeakPolarHBondContact CB-OE2 3.47Å; T16-E18 PolarHBondContact OG1-N 3.37Å; T16-E18 PolarHBondContact OG1-OE2 3.35Å; E18-A20 VanDerWaalsContact C-N 3.3Å; E18-A20 PolarHBondContact O-N 3.28Å; E18-E21 PolarHBondContact O-N 2.78Å; E18-V22 WeakPolarHBondContact O-CG2 3.45Å; E18-V22 PolarHBondContact O-N 3.29Å
19E94Very high93.3Very high59 Ų5947.6 Ų47.628%0.27624%0.242SC..Hα-helixtrans-58.2-42.8172.2-72.5177.2142.400111.2I15 T16 V22 Y23 K111I15-E19 WeakPolarHBondContact CA-OE2 3.46Å; I15-E19 HydrophobicContact CB-CB 3.99Å; I15-E19 WeakPolarHBondContact CB-OE2 3.47Å; T16-E19 HydrophobicContact CG2-CG 4.42Å; T16-E19 PolarHBondContact N-OE2 2.84Å; T16-E19 PolarHBondContact OG1-N 2.59Å; T16-E19 VanDerWaalsContact OG1-N 3.07Å; E19-V22 PolarHBondContact O-N 3.4Å; E19-Y23 WeakPolarHBondContact O-CD2 3.45Å; E19-Y23 PolarHBondContact O-N 3.01Å; E19-Y23 VanDerWaalsContact O-N 3.15Å; E19-K111 IonicContact OE1-NZ 3.55Å; E19-K111 PolarHBondContact OE1-NZ 3.33Å; E19-K111 IonicContact OE2-NZ 2.8Å; E19-K111 PolarHBondContact OE2-NZ 2.91Å; E19-K111 VanDerWaalsContact OE2-NZ 3.15Å
20A95.9Very high93.3Very high0 Ų048.5 Ų48.50%024%0.244CC..Hα-helixtrans-63.6-42.7177.300000112.6I15 T16 R17 E18 V22 Y23 L24 L35I15-A20 HydrophobicContact CD1-CB 3.81Å; T16-A20 WeakPolarHBondContact O-CB 3.07Å; T16-A20 PolarHBondContact O-N 3.16Å; T16-A20 VanDerWaalsContact O-N 3.16Å; R17-A20 WeakPolarHBondContact O-CB 3.43Å; R17-A20 PolarHBondContact O-N 2.78Å; R17-A20 VanDerWaalsContact O-N 3.15Å; E18-A20 VanDerWaalsContact C-N 3.3Å; E18-A20 PolarHBondContact O-N 3.28Å; A20-V22 VanDerWaalsContact C-N 3.32Å; A20-V22 PolarHBondContact O-N 3.31Å; A20-Y23 PolarHBondContact O-N 3.14Å; A20-L24 WeakPolarHBondContact O-CG 3.39Å; A20-L24 PolarHBondContact O-N 2.91Å; A20-L35 HydrophobicContact CB-CD1 3.91Å; A20-L35 HydrophobicContact CB-CD2 4.34Å
21E96.5Very high93.3Very high44 Ų4451.7 Ų51.721%0.20626%0.262CS..Hα-helixtrans-61.1-41.6175.1-68.2-176.5-167.900111.7R17 E18 Y23 L24 R25 F56 H58R17-E21 WeakPolarHBondContact O-CG 3.07Å; R17-E21 PolarHBondContact O-N 3.4Å; E18-E21 PolarHBondContact O-N 2.78Å; E21-Y23 VanDerWaalsContact C-N 3.33Å; E21-Y23 PolarHBondContact O-N 2.91Å; E21-L24 PolarHBondContact O-N 3.08Å; E21-R25 WeakPolarHBondContact O-CB 3.47Å; E21-R25 VanDerWaalsContact O-CG 3.29Å; E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 3.27Å; E21-R25 IonicContact OE2-CZ 2.71Å; E21-R25 IonicContact OE2-NH1 3.7Å; E21-R25 IonicContact OE2-NH2 3.84Å; E21-R25 PolarHBondContact OE2-NH2 3.28Å; E21-F56 HydrophobicContact CB-CD2 3.86Å; E21-F56 HydrophobicContact CB-CE2 4.09Å; E21-F56 HydrophobicContact CB-CG 4.27Å; E21-F56 HydrophobicContact CG-CB 3.89Å; E21-F56 HydrophobicContact CG-CD2 3.53Å; E21-F56 HydrophobicContact CG-CE2 4.27Å; E21-F56 HydrophobicContact CG-CG 3.73Å; E21-H58 IonicContact OE1-NE2 3.86Å
22V96.4Very high93.2Very high62 Ų6251.7 Ų51.738%0.37626%0.261SS..Hα-helixtrans-58.3-45.4176.3170.50000111E18 E19 A20 R25 Q26E18-V22 WeakPolarHBondContact O-CG2 3.45Å; E18-V22 PolarHBondContact O-N 3.29Å; E19-V22 PolarHBondContact O-N 3.4Å; A20-V22 VanDerWaalsContact C-N 3.32Å; A20-V22 PolarHBondContact O-N 3.31Å; V22-R25 WeakPolarHBondContact O-CB 3.31Å; V22-R25 PolarHBondContact O-N 3.24Å; V22-Q26 VanDerWaalsContact O-CG 3.31Å; V22-Q26 WeakPolarHBondContact O-CG 3.31Å; V22-Q26 PolarHBondContact O-N 3.5Å
23Y96.4Very high93.4Very high51 Ų5151.7 Ų51.720%0.226%0.262CS..Hα-helixtrans-64.9-41.7176.9-68.3-57.7000112.7Y12 I15 E19 A20 E21 R25 Q26 A27 M108Y12-Y23 AromaticContact CD1-CD2 3.63Å; Y12-Y23 HydrophobicContact CD1-CD2 3.63Å; Y12-Y23 AromaticContact CD1-CE2 3.64Å; Y12-Y23 HydrophobicContact CD1-CE2 3.64Å; Y12-Y23 HydrophobicContact CD1-CG 4.18Å; Y12-Y23 AromaticContact CE1-CD1 3.8Å; Y12-Y23 HydrophobicContact CE1-CD1 3.8Å; Y12-Y23 AromaticContact CE1-CD2 3.46Å; Y12-Y23 HydrophobicContact CE1-CD2 3.46Å; Y12-Y23 VanDerWaalsContact CE1-CD2 3.46Å; Y12-Y23 HydrophobicContact CE1-CE1 4.04Å; Y12-Y23 AromaticContact CE1-CE2 3.73Å; Y12-Y23 HydrophobicContact CE1-CE2 3.73Å; Y12-Y23 AromaticContact CE1-CG 3.51Å; Y12-Y23 HydrophobicContact CE1-CG 3.51Å; I15-Y23 HydrophobicContact CD1-CD2 4.02Å; I15-Y23 HydrophobicContact CD1-CE2 4.21Å; E19-Y23 WeakPolarHBondContact O-CD2 3.45Å; E19-Y23 PolarHBondContact O-N 3.01Å; E19-Y23 VanDerWaalsContact O-N 3.15Å; A20-Y23 PolarHBondContact O-N 3.14Å; E21-Y23 VanDerWaalsContact C-N 3.33Å; E21-Y23 PolarHBondContact O-N 2.91Å; Y23-R25 VanDerWaalsContact C-N 3.32Å; Y23-R25 PolarHBondContact O-N 3.41Å; Y23-Q26 PolarHBondContact O-N 2.78Å; Y23-A27 WeakPolarHBondContact O-CB 3.03Å; Y23-A27 PolarHBondContact O-N 2.93Å; Y23-M108 HydrophobicContact CE1-SD 4.35Å; Y23-M108 HydrophobicContact CE2-CE 4.28Å; Y23-M108 VanDerWaalsContact OH-CE 3.25Å; Y23-M108 WeakPolarHBondContact OH-CE 3.27Å
24L96.5Very high93.8Very high0 Ų052.6 Ų52.60%027%0.265CS..Hα-helixtrans-65.2-35.7176-68172000112.2A20 E21 A27 G28 M29 L33 L35 F56 C102A20-L24 WeakPolarHBondContact O-CG 3.39Å; A20-L24 PolarHBondContact O-N 2.91Å; E21-L24 PolarHBondContact O-N 3.08Å; L24-A27 PolarHBondContact O-N 2.83Å; L24-G28 PolarHBondContact O-N 2.78Å; L24-M29 PolarHBondContact O-N 2.65Å; L24-M29 VanDerWaalsContact O-N 3.1Å; L24-L33 HydrophobicContact CD2-CD2 3.98Å; L24-L33 HydrophobicContact CD2-CG 3.85Å; L24-L35 HydrophobicContact CD2-CD2 4.06Å; L24-L35 HydrophobicContact CD2-CG 4.23Å; L24-L35 HydrophobicContact CG-CD2 3.9Å; L24-L35 HydrophobicContact CG-CG 4.32Å; L24-F56 HydrophobicContact CB-CD1 3.97Å; L24-F56 HydrophobicContact CB-CE1 3.54Å; L24-F56 HydrophobicContact CB-CZ 4.42Å; L24-F56 HydrophobicContact CD1-CD1 3.75Å; L24-F56 HydrophobicContact CD1-CE1 4.23Å; L24-C102 HydrophobicContact CD2-CB 3.95Å
25R95.7Very high94.3Very high120 Ų12051.4 Ų51.445%0.45326%0.258SS..Hα-helixtrans-61.6-51172-74.3-178.1-172.8113.510.5111E21 V22 Y23 A27 G28 M29 F56E21-R25 WeakPolarHBondContact O-CB 3.47Å; E21-R25 VanDerWaalsContact O-CG 3.29Å; E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 3.27Å; E21-R25 IonicContact OE2-CZ 2.71Å; E21-R25 IonicContact OE2-NH1 3.7Å; E21-R25 IonicContact OE2-NH2 3.84Å; E21-R25 PolarHBondContact OE2-NH2 3.28Å; V22-R25 WeakPolarHBondContact O-CB 3.31Å; V22-R25 PolarHBondContact O-N 3.24Å; Y23-R25 VanDerWaalsContact C-N 3.32Å; Y23-R25 PolarHBondContact O-N 3.41Å; R25-A27 PolarHBondContact O-N 2.8Å; R25-G28 PolarHBondContact O-N 3.12Å; R25-M29 HydrophobicContact CB-CG 4.45Å; R25-M29 HydrophobicContact CB-SD 4.38Å; R25-M29 HydrophobicContact CG-CG 4.28Å; R25-M29 HydrophobicContact CG-SD 3.82Å; R25-F56 HydrophobicContact CG-CE2 3.86Å; R25-F56 HydrophobicContact CG-CZ 3.43Å; R25-F56 VanDerWaalsContact CG-CZ 3.43Å
26Q94.4Very high94.6Very high141 Ų14151.3 Ų51.366%0.65926%0.258SS*.Hα-helixtrans-62-31.7179.7-72172.8-3.200112.9V22 Y23 G28V22-Q26 VanDerWaalsContact O-CG 3.31Å; V22-Q26 WeakPolarHBondContact O-CG 3.31Å; V22-Q26 PolarHBondContact O-N 3.5Å; Y23-Q26 PolarHBondContact O-N 2.78Å; Q26-G28 VanDerWaalsContact C-N 3.28Å; Q26-G28 PolarHBondContact O-N 2.9Å
27A93.1Very high94.8Very high38 Ų3850.4 Ų50.431%0.31425%0.251SS..THydrogen-bonded Turntrans-84.65.8177.300000114.3Y23 L24 R25 L33 C102Y23-A27 WeakPolarHBondContact O-CB 3.03Å; Y23-A27 PolarHBondContact O-N 2.93Å; L24-A27 PolarHBondContact O-N 2.83Å; R25-A27 PolarHBondContact O-N 2.8Å; A27-L33 HydrophobicContact CB-CD1 4.48Å; A27-L33 HydrophobicContact CB-CD2 3.79Å; A27-C102 HydrophobicContact CB-CB 4.43Å; A27-C102 VanDerWaalsContact CB-SG 3.58Å
28G91.4Very high94.7Very high45 Ų4545.7 Ų45.746%0.46423%0.234SC..THydrogen-bonded Turntrans97.310166.600000116.4L24 R25 Q26 N30L24-G28 PolarHBondContact O-N 2.78Å; R25-G28 PolarHBondContact O-N 3.12Å; Q26-G28 VanDerWaalsContact C-N 3.28Å; Q26-G28 PolarHBondContact O-N 2.9Å; G28-N30 PolarHBondContact O-N 2.84Å
29M90.3Very high94.2Very high59 Ų5940.6 Ų40.629%0.29121%0.211SC..  trans52.428.1171.2-55.6-179.162.800115.7L24 R25 S51 G54 F56L24-M29 PolarHBondContact O-N 2.65Å; L24-M29 VanDerWaalsContact O-N 3.1Å; R25-M29 HydrophobicContact CB-CG 4.45Å; R25-M29 HydrophobicContact CB-SD 4.38Å; R25-M29 HydrophobicContact CG-CG 4.28Å; R25-M29 HydrophobicContact CG-SD 3.82Å; M29-S51 WeakPolarHBondContact CA-OG 3.46Å; M29-S51 PolarHBondContact O-OG 2.68Å; M29-G54 WeakPolarHBondContact CE-O 3.37Å; M29-F56 HydrophobicContact CE-CE1 4.05Å; M29-F56 HydrophobicContact CE-CE2 3.93Å; M29-F56 HydrophobicContact CE-CZ 3.35Å; M29-F56 HydrophobicContact CG-CE1 4.21Å; M29-F56 HydrophobicContact CG-CZ 3.97Å; M29-F56 HydrophobicContact SD-CZ 3.93Å
30N92.9Very high93Very high83 Ų8343.3 Ų43.344%0.44422%0.219SC..  trans-64.3144.6-179.3-65.3-61.9000110.8G28 G32 L33G28-N30 PolarHBondContact O-N 2.84Å; N30-G32 PolarHBondContact O-N 3.46Å; N30-L33 HydrophobicContact CB-CB 4.34Å; N30-L33 WeakPolarHBondContact O-CB 3.38Å; N30-L33 PolarHBondContact O-N 2.82Å
31N95.5Very high91.4Very high87 Ų8744.2 Ų44.247%0.46522%0.224SC..THydrogen-bonded Turntrans-59.7126.1177.2-66.2-18.6000110.9L33 N52 S53N31-L33 VanDerWaalsContact C-N 3.31Å; N31-N52 PolarHBondContact OD1-OD1 2.81Å; N31-S53 PolarHBondContact OD1-N 2.81Å
32G94.5Very high89.6Confident0 Ų043.9 Ų43.90%022%0.221CC..THydrogen-bonded Turntrans78.711.5-175.900000114.1N30 S51 L97 K99 K100N30-G32 PolarHBondContact O-N 3.46Å; G32-S51 PolarHBondContact N-O 2.83Å; G32-L97 WeakPolarHBondContact CA-O 3.49Å; G32-K99 PolarHBondContact O-N 2.84Å; G32-K100 PolarHBondContact O-N 2.83Å; G32-K100 VanDerWaalsContact O-N 3.09Å
33L97.8Very high88Confident2 Ų242.9 Ų42.91%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-70.9130.9166.9-178.172.1000109.1L24 A27 N30 N31 V50 S51 K100 C102L24-L33 HydrophobicContact CD2-CD2 3.98Å; L24-L33 HydrophobicContact CD2-CG 3.85Å; A27-L33 HydrophobicContact CB-CD1 4.48Å; A27-L33 HydrophobicContact CB-CD2 3.79Å; N30-L33 HydrophobicContact CB-CB 4.34Å; N30-L33 WeakPolarHBondContact O-CB 3.38Å; N30-L33 PolarHBondContact O-N 2.82Å; N31-L33 VanDerWaalsContact C-N 3.31Å; L33-V50 CarbonylContact O-C 3.53Å; L33-V50 WeakPolarHBondContact O-CA 3.38Å; L33-S51 PolarHBondContact O-N 2.93Å; L33-K100 CarbonylContact C-O 3.55Å; L33-K100 VanDerWaalsContact CA-O 3.31Å; L33-K100 WeakPolarHBondContact CA-O 3.06Å; L33-K100 HydrophobicContact CD1-CB 4.21Å; L33-K100 HydrophobicContact CD1-CD 4.31Å; L33-K100 HydrophobicContact CD1-CG 4.15Å; L33-C102 HydrophobicContact CD1-CB 3.89Å; L33-C102 HydrophobicContact CG-CB 4.14Å
34Y98.1Very high86.6Confident21 Ų2141.9 Ų41.98%0.08222%0.219CC..EExtended strand (participates in β ladder)trans-142.4157.8-175.271.5-85.1000113.4F10 L48 S49 I84 L98 K100 P101 C102F10-Y34 HydrophobicContact CD2-CE2 4.01Å; F10-Y34 HydrophobicContact CE2-CE2 4.13Å; F10-Y34 HydrophobicContact CG-CE2 4.42Å; Y34-L48 HydrophobicContact CD2-CD1 3.85Å; Y34-L48 HydrophobicContact CG-CD1 4.27Å; Y34-S49 CarbonylContact C-O 3.59Å; Y34-S49 WeakPolarHBondContact CA-O 3.14Å; Y34-I84 HydrophobicContact CD2-CD1 4.45Å; Y34-I84 HydrophobicContact CE2-CD1 4.32Å; Y34-I84 HydrophobicContact CE2-CG2 3.59Å; Y34-I84 WeakPolarHBondContact OH-CG2 3.26Å; Y34-L98 HydrophobicContact CD1-CB 3.83Å; Y34-L98 HydrophobicContact CD1-CD2 4.12Å; Y34-L98 HydrophobicContact CD1-CG 4.43Å; Y34-L98 HydrophobicContact CE1-CB 3.91Å; Y34-L98 HydrophobicContact CG-CB 4.41Å; Y34-L98 HydrophobicContact CG-CD2 3.98Å; Y34-K100 WeakPolarHBondContact CD1-O 3.43Å; Y34-K100 WeakPolarHBondContact CE1-O 3.38Å; Y34-K100 PolarHBondContact N-O 3.13Å; Y34-P101 HydrophobicContact CE1-CB 4.17Å; Y34-P101 HydrophobicContact CE2-CB 4.26Å; Y34-P101 CarbonylContact O-C 3.59Å; Y34-C102 VanDerWaalsContact O-CB 3.31Å; Y34-C102 WeakPolarHBondContact O-CB 3.18Å; Y34-C102 PolarHBondContact O-N 3.09Å
35L97.7Very high85.9Confident0 Ų041.9 Ų41.90%022%0.219CC..EExtended strand (participates in β ladder)trans-138.3157165.462.982.7000111Y12 I15 A20 L24 R37 S49 C102Y12-L35 HydrophobicContact CD2-CB 3.94Å; Y12-L35 HydrophobicContact CD2-CD1 4.16Å; Y12-L35 HydrophobicContact CD2-CD2 4.11Å; Y12-L35 HydrophobicContact CD2-CG 4.31Å; Y12-L35 HydrophobicContact CE2-CB 3.79Å; Y12-L35 HydrophobicContact CE2-CD2 3.85Å; Y12-L35 HydrophobicContact CE2-CG 4.32Å; I15-L35 HydrophobicContact CD1-CD1 4.21Å; A20-L35 HydrophobicContact CB-CD1 3.91Å; A20-L35 HydrophobicContact CB-CD2 4.34Å; L24-L35 HydrophobicContact CD2-CD2 4.06Å; L24-L35 HydrophobicContact CD2-CG 4.23Å; L24-L35 HydrophobicContact CG-CD2 3.9Å; L24-L35 HydrophobicContact CG-CG 4.32Å; L35-R37 HydrophobicContact CD1-CB 4.36Å; L35-R37 HydrophobicContact CD1-CG 4.44Å; L35-S49 PolarHBondContact N-O 3.41Å; L35-S49 PolarHBondContact O-N 3.25Å; L35-C102 HydrophobicContact CB-CB 4.16Å
36L96.3Very high85.6Confident0 Ų037.1 Ų37.10%020%0.201CC..EExtended strand (participates in β ladder)trans-103.7140.1175.4-168.468.9000109.4V5 L8 F10 F11 Y12 F46 I61 P80 I84V5-L36 HydrophobicContact CG1-CD2 3.81Å; L8-L36 HydrophobicContact CD1-CD2 4.37Å; F10-L36 HydrophobicContact CD2-CB 4.04Å; F10-L36 HydrophobicContact CE2-CB 4.34Å; F10-L36 PolarHBondContact O-N 2.99Å; F11-L36 CarbonylContact C-O 3.58Å; F11-L36 VanDerWaalsContact CA-O 3.3Å; F11-L36 WeakPolarHBondContact CA-O 3.49Å; F11-L36 HydrophobicContact CD2-CB 4.17Å; F11-L36 HydrophobicContact CD2-CD2 3.99Å; F11-L36 HydrophobicContact CD2-CG 3.93Å; Y12-L36 PolarHBondContact N-O 2.79Å; L36-F46 HydrophobicContact CD1-CB 3.9Å; L36-F46 HydrophobicContact CD2-CD1 4.22Å; L36-F46 HydrophobicContact CG-CB 4.47Å; L36-F46 HydrophobicContact CG-CD1 4.31Å; L36-I61 HydrophobicContact CD1-CD1 3.84Å; L36-P80 HydrophobicContact CD2-CB 4.37Å; L36-I84 HydrophobicContact CD1-CD1 4.46Å
37R93.4Very high85.5Confident12 Ų1230.5 Ų30.55%0.04517%0.171CC..EExtended strand (participates in β ladder)trans-141.4160.7174.259.5-178.4176.973.19.3110.8G13 I15 L35 F46 A47 S49G13-R37 WeakPolarHBondContact O-CB 3.27Å; I15-R37 HydrophobicContact CD1-CB 4.31Å; I15-R37 HydrophobicContact CG1-CB 3.7Å; I15-R37 HydrophobicContact CG1-CG 4.39Å; L35-R37 HydrophobicContact CD1-CB 4.36Å; L35-R37 HydrophobicContact CD1-CG 4.44Å; R37-F46 CarbonylContact O-C 3.59Å; R37-F46 WeakPolarHBondContact O-CA 3.41Å; R37-A47 HydrophobicContact CG-CB 4.02Å; R37-A47 WeakPolarHBondContact CG-O 3.45Å; R37-A47 PolarHBondContact N-O 2.76Å; R37-A47 PolarHBondContact O-N 3.38Å; R37-S49 PolarHBondContact NE-OG 2.89Å; R37-S49 VanDerWaalsContact NE-OG 3.1Å
38Q88.2Confident85.7Confident20 Ų2028.7 Ų28.79%0.09316%0.156CC..EExtended strand (participates in β ladder)trans-66.7139.3176.1-167.9171.613.500109.3F11 G13 N14 R40 E116F11-Q38 HydrophobicContact CE2-CB 4.45Å; F11-Q38 HydrophobicContact CZ-CB 4.3Å; G13-Q38 PolarHBondContact O-N 3.14Å; N14-Q38 HydrophobicContact CB-CB 4.41Å; Q38-R40 PolarHBondContact O-N 2.79Å; Q38-E116 PolarHBondContact NE2-OE1 2.71Å
39S83.1Confident86Confident9 Ų926.6 Ų26.66%0.06313%0.134CC..  trans-73.7123.5173.7-165.50000109.6N41 G45S39-N41 PolarHBondContact O-N 2.85Å; S39-N41 VanDerWaalsContact O-N 3.09Å; S39-G45 WeakPolarHBondContact CB-O 3.34Å; S39-G45 PolarHBondContact N-O 3.09Å
40R69.2Low86.3Confident115 Ų11523.8 Ų23.843%0.43412%0.12SC..THydrogen-bonded Turntrans-72.95.4173.9-66.5-174.269.8-171.42.3113.8N14 Q38N14-R40 VanDerWaalsContact OD1-CG 3.27Å; N14-R40 WeakPolarHBondContact OD1-CG 3.49Å; Q38-R40 PolarHBondContact O-N 2.79Å
41N61.6Low86.5Confident20 Ų2019.9 Ų19.911%0.10710%0.099CC..THydrogen-bonded Turntrans-134.2-17.3-153.1-86.7-32.1000112.8S39 K227 K242S39-N41 PolarHBondContact O-N 2.85Å; S39-N41 VanDerWaalsContact O-N 3.09Å; N41-K227 HydrophobicContact CB-CD 4.22Å; N41-K227 PolarHBondContact ND2-NZ 3.11Å; N41-K227 PolarHBondContact OD1-NZ 3.2Å; N41-K242 PolarHBondContact OD1-NZ 3.37Å
42Y59.4Low86.6Confident36 Ų3616.8 Ų16.814%0.1418%0.083CC..SBendtrans-146.4135.6-175.5-63.2-87.5000109.3G44 G45 T60 E62Y42-G44 PolarHBondContact O-N 2.94Å; Y42-G45 PolarHBondContact O-N 3.34Å; Y42-T60 HydrophobicContact CD2-CG2 3.62Å; Y42-T60 HydrophobicContact CE2-CG2 3.48Å; Y42-T60 VanDerWaalsContact CE2-CG2 3.48Å; Y42-E62 HydrophobicContact CE1-CG 4.35Å; Y42-E62 HydrophobicContact CE2-CG 4.42Å; Y42-E62 PolarHBondContact OH-OE1 2.93Å
43L62.7Low86.5Confident41 Ų4120.8 Ų20.822%0.21511%0.111CC..THydrogen-bonded Turntrans-68.6123.2-178.7-160.683.1000109.7G45 F115 A154 D230 T231 Q234L43-G45 PolarHBondContact O-N 3.16Å; L43-G45 VanDerWaalsContact O-N 3.13Å; L43-F115 HydrophobicContact CD1-CD1 4.38Å; L43-F115 HydrophobicContact CD1-CE1 3.38Å; L43-F115 HydrophobicContact CD1-CE2 4.18Å; L43-F115 HydrophobicContact CD1-CZ 3.27Å; L43-A154 HydrophobicContact CD2-CB 4.13Å; L43-D230 HydrophobicContact CB-CB 3.7Å; L43-D230 WeakPolarHBondContact CB-OD2 3.31Å; L43-D230 HydrophobicContact CD2-CB 4.11Å; L43-D230 HydrophobicContact CG-CB 4.5Å; L43-D230 PolarHBondContact N-OD2 3.28Å; L43-T231 HydrophobicContact CD2-CG2 4.44Å; L43-Q234 HydrophobicContact CD1-CG 4.25Å
44G67.4Low86.1Confident30 Ų3022.9 Ų22.931%0.30913%0.133SC..THydrogen-bonded Turntrans66.68.4-177.700000114.3Y42 F46 Y69Y42-G44 PolarHBondContact O-N 2.94Å; G44-F46 WeakPolarHBondContact O-CE2 3.43Å; G44-Y69 WeakPolarHBondContact O-CE1 3.42Å
45G80.9Confident86Confident0 Ų030.1 Ų30.10%016%0.16CC..  trans-82162.8171.800000111.9S39 Y42 L43 I61S39-G45 WeakPolarHBondContact CB-O 3.34Å; S39-G45 PolarHBondContact N-O 3.09Å; Y42-G45 PolarHBondContact O-N 3.34Å; L43-G45 PolarHBondContact O-N 3.16Å; L43-G45 VanDerWaalsContact O-N 3.13Å; G45-I61 CarbonylContact C-O 3.53Å; G45-I61 WeakPolarHBondContact CA-O 3.27Å
46F90.1Very high85.9Confident20 Ų2031.7 Ų31.79%0.08817%0.167CC..EExtended strand (participates in β ladder)trans-121.8169.6177.6-61.6-88.7000110.9V5 F11 L36 R37 G44 I61 Y69 P80V5-F46 HydrophobicContact CB-CE1 4.23Å; V5-F46 HydrophobicContact CB-CZ 4.28Å; V5-F46 HydrophobicContact CG1-CD1 4.21Å; V5-F46 HydrophobicContact CG1-CE1 3.52Å; V5-F46 HydrophobicContact CG1-CZ 4.04Å; V5-F46 HydrophobicContact CG2-CE1 4.42Å; V5-F46 HydrophobicContact CG2-CZ 4.1Å; F11-F46 HydrophobicContact CD2-CD1 4.43Å; F11-F46 HydrophobicContact CD2-CE1 4.49Å; F11-F46 AromaticContact CE2-CD1 3.77Å; F11-F46 HydrophobicContact CE2-CD1 3.77Å; F11-F46 AromaticContact CE2-CE1 3.74Å; F11-F46 HydrophobicContact CE2-CE1 3.74Å; F11-F46 HydrophobicContact CZ-CD1 4.5Å; F11-F46 HydrophobicContact CZ-CE1 4.08Å; L36-F46 HydrophobicContact CD1-CB 3.9Å; L36-F46 HydrophobicContact CD2-CD1 4.22Å; L36-F46 HydrophobicContact CG-CB 4.47Å; L36-F46 HydrophobicContact CG-CD1 4.31Å; R37-F46 CarbonylContact O-C 3.59Å; R37-F46 WeakPolarHBondContact O-CA 3.41Å; G44-F46 WeakPolarHBondContact O-CE2 3.43Å; F46-I61 HydrophobicContact CB-CB 4.06Å; F46-I61 HydrophobicContact CB-CD1 4.18Å; F46-I61 PolarHBondContact N-O 3.19Å; F46-I61 PolarHBondContact O-N 2.73Å; F46-I61 VanDerWaalsContact O-O 3.1Å; F46-Y69 HydrophobicContact CD2-CD1 4.2Å; F46-Y69 HydrophobicContact CD2-CE1 4.05Å; F46-Y69 HydrophobicContact CE2-CD1 4.36Å; F46-Y69 AromaticContact CE2-CE1 3.78Å; F46-Y69 HydrophobicContact CE2-CE1 3.78Å; F46-P80 HydrophobicContact CD2-CB 3.93Å; F46-P80 HydrophobicContact CD2-CG 3.37Å; F46-P80 HydrophobicContact CE2-CB 4.17Å; F46-P80 HydrophobicContact CE2-CG 3.21Å; F46-P80 HydrophobicContact CG-CB 4.32Å; F46-P80 HydrophobicContact CG-CG 4.2Å; F46-P80 HydrophobicContact CZ-CG 3.91Å
47A92.8Very high85.9Confident3 Ų335.1 Ų35.13%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-133.9131.5168.500000109.5R37 Y59R37-A47 HydrophobicContact CG-CB 4.02Å; R37-A47 WeakPolarHBondContact CG-O 3.45Å; R37-A47 PolarHBondContact N-O 2.76Å; R37-A47 PolarHBondContact O-N 3.38Å; A47-Y59 CarbonylContact C-O 3.58Å; A47-Y59 VanDerWaalsContact CA-O 3.25Å; A47-Y59 WeakPolarHBondContact CA-O 3.48Å
48L95.9Very high86Confident0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-96.5123.5176.3173.761.1000108.3Y34 V50 H58 Y59 I61 I71 I84 L94 L98Y34-L48 HydrophobicContact CD2-CD1 3.85Å; Y34-L48 HydrophobicContact CG-CD1 4.27Å; L48-V50 HydrophobicContact CD1-CG2 4.11Å; L48-V50 HydrophobicContact CD2-CG2 4.13Å; L48-V50 HydrophobicContact CG-CG2 3.73Å; L48-H58 CarbonylContact O-C 3.52Å; L48-H58 WeakPolarHBondContact O-CA 3.3Å; L48-Y59 PolarHBondContact N-O 3.03Å; L48-Y59 PolarHBondContact O-N 2.93Å; L48-I61 HydrophobicContact CB-CD1 4.12Å; L48-I61 HydrophobicContact CB-CG1 4.49Å; L48-I71 HydrophobicContact CD2-CD1 4.07Å; L48-I84 HydrophobicContact CD1-CD1 3.62Å; L48-I84 HydrophobicContact CD2-CD1 4.23Å; L48-I84 HydrophobicContact CG-CD1 4.43Å; L48-L94 HydrophobicContact CD2-CD1 4.19Å; L48-L98 HydrophobicContact CD1-CD1 4.27Å; L48-L98 HydrophobicContact CD1-CD2 4.31Å; L48-L98 HydrophobicContact CD2-CD1 3.91Å; L48-L98 HydrophobicContact CD2-CD2 4.11Å
49S97.6Very high86.3Confident0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-112.3123.3176.6-530000108.8Y34 L35 R37 Y57 H58Y34-S49 CarbonylContact C-O 3.59Å; Y34-S49 WeakPolarHBondContact CA-O 3.14Å; L35-S49 PolarHBondContact N-O 3.41Å; L35-S49 PolarHBondContact O-N 3.25Å; R37-S49 PolarHBondContact NE-OG 2.89Å; R37-S49 VanDerWaalsContact NE-OG 3.1Å; S49-Y57 CarbonylContact C-O 3.55Å; S49-Y57 WeakPolarHBondContact CA-O 3.27Å; S49-H58 WeakPolarHBondContact CB-ND1 3.35Å; S49-H58 PolarHBondContact OG-ND1 2.86Å
50V97.8Very high86.6Confident1 Ų138.8 Ų38.81%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-125.2136.6-171.6-171.50000109.7L33 L48 F56 Y57 Y59 L98L33-V50 CarbonylContact O-C 3.53Å; L33-V50 WeakPolarHBondContact O-CA 3.38Å; L48-V50 HydrophobicContact CD1-CG2 4.11Å; L48-V50 HydrophobicContact CD2-CG2 4.13Å; L48-V50 HydrophobicContact CG-CG2 3.73Å; V50-F56 WeakPolarHBondContact O-CA 3.32Å; V50-Y57 PolarHBondContact N-O 2.83Å; V50-Y57 PolarHBondContact O-N 3.46Å; V50-Y59 HydrophobicContact CB-CE2 4.45Å; V50-Y59 HydrophobicContact CG2-CD2 4.16Å; V50-Y59 HydrophobicContact CG2-CE2 4.1Å; V50-L98 HydrophobicContact CG1-CD2 4.19Å; V50-L98 HydrophobicContact CG2-CD2 3.67Å
51S97.7Very high87.6Confident0 Ų033.3 Ų33.30%018%0.177CC..EExtended strand (participates in β ladder)trans-96.4129.9169.9-166.60000110.4M29 G32 L33 R55M29-S51 WeakPolarHBondContact CA-OG 3.46Å; M29-S51 PolarHBondContact O-OG 2.68Å; G32-S51 PolarHBondContact N-O 2.83Å; L33-S51 PolarHBondContact O-N 2.93Å; S51-R55 WeakPolarHBondContact CA-O 3.33Å
52N96.6Very high88.7Confident22 Ų2235.1 Ų35.112%0.11819%0.185CC..EExtended strand (participates in β ladder)trans-149.5131.7172.5-170.245.3000110.5N31 G54 R55 Y57 V95N31-N52 PolarHBondContact OD1-OD1 2.81Å; N52-G54 PolarHBondContact O-N 3Å; N52-R55 PolarHBondContact N-O 3.34Å; N52-R55 PolarHBondContact O-N 3Å; N52-Y57 HydrophobicContact CB-CD2 4.27Å; N52-Y57 HydrophobicContact CB-CE2 3.98Å; N52-V95 HydrophobicContact CB-CG1 3.75Å; N52-V95 HydrophobicContact CB-CG2 4.28Å; N52-V95 WeakPolarHBondContact ND2-CG2 3.01Å
53S92.8Very high89.8Confident85 Ų8537.5 Ų37.559%0.59419%0.194SC*.THydrogen-bonded Turntrans5142178.4-53.20000113.3N31 R55N31-S53 PolarHBondContact OD1-N 2.81Å; S53-R55 PolarHBondContact O-N 2.84Å
54G88.9Confident90.8Very high46 Ų4638.5 Ų38.547%0.47420%0.197SC..THydrogen-bonded Turntrans72.97.5179.900000115.2M29 N52M29-G54 WeakPolarHBondContact CE-O 3.37Å; N52-G54 PolarHBondContact O-N 3Å
55R95.3Very high91Very high173 Ų17342 Ų4265%0.65322%0.215SC*.EExtended strand (participates in β ladder)trans-114.4162.1175.5-63.1-176.7179.9-176.40111.1S51 N52 S53 Y57S51-R55 WeakPolarHBondContact CA-O 3.33Å; N52-R55 PolarHBondContact N-O 3.34Å; N52-R55 PolarHBondContact O-N 3Å; S53-R55 PolarHBondContact O-N 2.84Å; R55-Y57 HydrophobicContact CB-CE2 3.78Å
56F96.8Very high90.8Very high33 Ų3346.4 Ų46.415%0.14524%0.238CC..EExtended strand (participates in β ladder)trans-113.4135176.8-54.3-64.9000110.7E21 L24 R25 M29 V50E21-F56 HydrophobicContact CB-CD2 3.86Å; E21-F56 HydrophobicContact CB-CE2 4.09Å; E21-F56 HydrophobicContact CB-CG 4.27Å; E21-F56 HydrophobicContact CG-CB 3.89Å; E21-F56 HydrophobicContact CG-CD2 3.53Å; E21-F56 HydrophobicContact CG-CE2 4.27Å; E21-F56 HydrophobicContact CG-CG 3.73Å; L24-F56 HydrophobicContact CB-CD1 3.97Å; L24-F56 HydrophobicContact CB-CE1 3.54Å; L24-F56 HydrophobicContact CB-CZ 4.42Å; L24-F56 HydrophobicContact CD1-CD1 3.75Å; L24-F56 HydrophobicContact CD1-CE1 4.23Å; R25-F56 HydrophobicContact CG-CE2 3.86Å; R25-F56 HydrophobicContact CG-CZ 3.43Å; R25-F56 VanDerWaalsContact CG-CZ 3.43Å; M29-F56 HydrophobicContact CE-CE1 4.05Å; M29-F56 HydrophobicContact CE-CE2 3.93Å; M29-F56 HydrophobicContact CE-CZ 3.35Å; M29-F56 HydrophobicContact CG-CE1 4.21Å; M29-F56 HydrophobicContact CG-CZ 3.97Å; M29-F56 HydrophobicContact SD-CZ 3.93Å; V50-F56 WeakPolarHBondContact O-CA 3.32Å
57Y96.4Very high90.3Very high71 Ų7151.4 Ų51.428%0.27826%0.262SS..EExtended strand (participates in β ladder)trans-122.6136.2-179.3-60.6-95.3000108.5S49 V50 N52 R55 V95S49-Y57 CarbonylContact C-O 3.55Å; S49-Y57 WeakPolarHBondContact CA-O 3.27Å; V50-Y57 PolarHBondContact N-O 2.83Å; V50-Y57 PolarHBondContact O-N 3.46Å; N52-Y57 HydrophobicContact CB-CD2 4.27Å; N52-Y57 HydrophobicContact CB-CE2 3.98Å; R55-Y57 HydrophobicContact CB-CE2 3.78Å; Y57-V95 HydrophobicContact CD1-CB 4.21Å; Y57-V95 HydrophobicContact CD1-CG1 4.41Å; Y57-V95 HydrophobicContact CD1-CG2 4.28Å; Y57-V95 HydrophobicContact CD2-CB 4.24Å; Y57-V95 HydrophobicContact CD2-CG1 3.67Å; Y57-V95 HydrophobicContact CD2-CG2 4.22Å; Y57-V95 HydrophobicContact CE1-CB 4.32Å; Y57-V95 HydrophobicContact CE1-CG2 3.88Å; Y57-V95 HydrophobicContact CE2-CB 4.35Å; Y57-V95 HydrophobicContact CE2-CG1 4.08Å; Y57-V95 HydrophobicContact CE2-CG2 3.82Å; Y57-V95 HydrophobicContact CG-CB 4.17Å; Y57-V95 HydrophobicContact CG-CG1 3.86Å; Y57-V95 HydrophobicContact CG-CG2 4.44Å
58H95.1Very high90.1Very high45 Ų4553.9 Ų53.921%0.20827%0.273CS..EExtended strand (participates in β ladder)trans-125114.1-176.6-55.9-78.1000110.6E21 L48 S49E21-H58 IonicContact OE1-NE2 3.86Å; L48-H58 CarbonylContact O-C 3.52Å; L48-H58 WeakPolarHBondContact O-CA 3.3Å; S49-H58 WeakPolarHBondContact CB-ND1 3.35Å; S49-H58 PolarHBondContact OG-ND1 2.86Å
59Y93.6Very high89.8Confident41 Ų4154.4 Ų54.416%0.16128%0.276CS..EExtended strand (participates in β ladder)trans-103.9136.6179.1-55.3-84.8000109.5A47 L48 V50 I71 L94 V95A47-Y59 CarbonylContact C-O 3.58Å; A47-Y59 VanDerWaalsContact CA-O 3.25Å; A47-Y59 WeakPolarHBondContact CA-O 3.48Å; L48-Y59 PolarHBondContact N-O 3.03Å; L48-Y59 PolarHBondContact O-N 2.93Å; V50-Y59 HydrophobicContact CB-CE2 4.45Å; V50-Y59 HydrophobicContact CG2-CD2 4.16Å; V50-Y59 HydrophobicContact CG2-CE2 4.1Å; Y59-I71 HydrophobicContact CD1-CG2 4.37Å; Y59-L94 HydrophobicContact CD1-CD2 3.56Å; Y59-L94 HydrophobicContact CD2-CD2 3.6Å; Y59-L94 HydrophobicContact CE1-CD2 3.61Å; Y59-L94 HydrophobicContact CE2-CD2 3.65Å; Y59-L94 HydrophobicContact CG-CD2 3.55Å; Y59-V95 WeakPolarHBondContact OH-CB 3.32Å; Y59-V95 PolarHBondContact OH-N 3.14Å
60T89.9Confident89.5Confident32 Ų3254.6 Ų54.620%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-90.5125.8175-56.40000108.5Y42 E62 I71Y42-T60 HydrophobicContact CD2-CG2 3.62Å; Y42-T60 HydrophobicContact CE2-CG2 3.48Å; Y42-T60 VanDerWaalsContact CE2-CG2 3.48Å; T60-E62 HydrophobicContact CG2-CG 3.85Å; T60-I71 WeakPolarHBondContact O-CA 3.4Å
61I91Very high89.2Confident0 Ų055.4 Ų55.40%028%0.281CS..EExtended strand (participates in β ladder)trans-97.6108.7170.3-56.5170.8000106.8L36 G45 F46 L48 Y69 A70 I71 V83L36-I61 HydrophobicContact CD1-CD1 3.84Å; G45-I61 CarbonylContact C-O 3.53Å; G45-I61 WeakPolarHBondContact CA-O 3.27Å; F46-I61 HydrophobicContact CB-CB 4.06Å; F46-I61 HydrophobicContact CB-CD1 4.18Å; F46-I61 PolarHBondContact N-O 3.19Å; F46-I61 PolarHBondContact O-N 2.73Å; F46-I61 VanDerWaalsContact O-O 3.1Å; L48-I61 HydrophobicContact CB-CD1 4.12Å; L48-I61 HydrophobicContact CB-CG1 4.49Å; I61-Y69 HydrophobicContact CG2-CD1 4.3Å; I61-A70 CarbonylContact C-O 3.57Å; I61-A70 WeakPolarHBondContact CA-O 3.32Å; I61-I71 HydrophobicContact CG1-CD1 4.35Å; I61-I71 HydrophobicContact CG1-CG1 3.79Å; I61-V83 HydrophobicContact CD1-CG1 4.09Å; I61-V83 HydrophobicContact CG1-CG1 4.35Å; I61-V83 HydrophobicContact CG2-CG2 4.26Å
62E84.6Confident88.4Confident59 Ų5959 Ų5928%0.27631%0.311SS..EExtended strand (participates in β ladder)trans-91.2139-177.6-60.8-171.9168.600110.4Y42 T60 Y69 A70Y42-E62 HydrophobicContact CE1-CG 4.35Å; Y42-E62 HydrophobicContact CE2-CG 4.42Å; Y42-E62 PolarHBondContact OH-OE1 2.93Å; T60-E62 HydrophobicContact CG2-CG 3.85Å; E62-Y69 WeakPolarHBondContact O-CA 3.37Å; E62-A70 PolarHBondContact N-O 2.73Å; E62-A70 PolarHBondContact O-N 2.98Å; E62-A70 VanDerWaalsContact O-N 3.09Å
63R83.1Confident87.6Confident85 Ų8562.3 Ų62.332%0.32135%0.351SS..EExtended strand (participates in β ladder)trans-84.7117.4167.6-171.3177.5-178.7-131-1.1108.5E67 M68 Y69R63-E67 IonicContact CZ-OE1 3.95Å; R63-E67 IonicContact NH2-OE1 3Å; R63-E67 PolarHBondContact NH2-OE1 3.07Å; R63-E67 IonicContact NH2-OE2 2.92Å; R63-M68 CarbonylContact C-O 3.57Å; R63-M68 WeakPolarHBondContact CA-O 3.45Å; R63-Y69 HydrophobicContact CB-CD1 4.24Å; R63-Y69 HydrophobicContact CB-CE1 3.94Å; R63-Y69 HydrophobicContact CG-CD1 4.48Å; R63-Y69 HydrophobicContact CG-CE1 3.95Å
64Q82.1Confident87.3Confident62 Ų6259.4 Ų59.429%0.2933%0.334SS..PPolyproline II helixtrans-80.6163.9-179.2-69.7-178.2-16.100111.6N66 E67 M68 S76Q64-N66 WeakPolarHBondContact CB-OD1 3.21Å; Q64-N66 PolarHBondContact O-N 2.6Å; Q64-E67 WeakPolarHBondContact O-CA 3.08Å; Q64-E67 PolarHBondContact O-N 2.7Å; Q64-M68 PolarHBondContact N-O 3.13Å; Q64-S76 VanDerWaalsContact CD-OG 3.26Å; Q64-S76 PolarHBondContact NE2-OG 3.14Å; Q64-S76 VanDerWaalsContact NE2-OG 3.1Å; Q64-S76 PolarHBondContact OE1-OG 3.37Å
65P71.6Confident87.4Confident104 Ų10463 Ų6368%0.67534%0.336SS*.THydrogen-bonded Turntrans-59.6-27.9-179.2-25.635.3000114.5E67P65-E67 PolarHBondContact O-N 3.48Å
66N77.8Confident87.2Confident92 Ų9256.6 Ų56.649%0.49232%0.319SS..THydrogen-bonded Turntrans-8213.8174.664.8-3.6000113.3Q64 M68Q64-N66 WeakPolarHBondContact CB-OD1 3.21Å; Q64-N66 PolarHBondContact O-N 2.6Å; N66-M68 PolarHBondContact ND2-SD 2.84Å; N66-M68 VanDerWaalsContact ND2-SD 3.4Å; N66-M68 PolarHBondContact O-N 2.95Å; N66-M68 VanDerWaalsContact O-N 3.17Å; N66-M68 VanDerWaalsContact OD1-CB 3.29Å; N66-M68 WeakPolarHBondContact OD1-CB 3.17Å; N66-M68 PolarHBondContact OD1-N 2.79Å; N66-M68 VanDerWaalsContact OD1-N 3.11Å
67E79.2Confident87.1Confident125 Ų12556 Ų5658%0.58432%0.316SS*.SBendtrans64.710.7-178.3-45.6-161.7134.300115.8R63 Q64 P65 Y69R63-E67 IonicContact CZ-OE1 3.95Å; R63-E67 IonicContact NH2-OE1 3Å; R63-E67 PolarHBondContact NH2-OE1 3.07Å; R63-E67 IonicContact NH2-OE2 2.92Å; Q64-E67 WeakPolarHBondContact O-CA 3.08Å; Q64-E67 PolarHBondContact O-N 2.7Å; P65-E67 PolarHBondContact O-N 3.48Å; E67-Y69 WeakPolarHBondContact O-CE2 3.46Å
68M88.7Confident86.7Confident55 Ų5562.6 Ų62.627%0.27134%0.341SS..  trans-83.1165.1172.5-61.3-173.374.400111.9R63 Q64 N66 S76 H77R63-M68 CarbonylContact C-O 3.57Å; R63-M68 WeakPolarHBondContact CA-O 3.45Å; Q64-M68 PolarHBondContact N-O 3.13Å; N66-M68 PolarHBondContact ND2-SD 2.84Å; N66-M68 VanDerWaalsContact ND2-SD 3.4Å; N66-M68 PolarHBondContact O-N 2.95Å; N66-M68 VanDerWaalsContact O-N 3.17Å; N66-M68 VanDerWaalsContact OD1-CB 3.29Å; N66-M68 WeakPolarHBondContact OD1-CB 3.17Å; N66-M68 PolarHBondContact OD1-N 2.79Å; N66-M68 VanDerWaalsContact OD1-N 3.11Å; M68-S76 WeakPolarHBondContact CE-O 3.31Å; M68-H77 CarbonylContact C-O 3.51Å; M68-H77 VanDerWaalsContact CA-O 3.28Å; M68-H77 WeakPolarHBondContact CA-O 3.46Å; M68-H77 VanDerWaalsContact CB-O 3.27Å; M68-H77 WeakPolarHBondContact CB-O 3.04Å
69Y90Very high86.4Confident12 Ų1261.7 Ų61.75%0.04734%0.339CS..EExtended strand (participates in β ladder)trans-119.8131-177.7-62.4-90.4000110.7G44 F46 I61 E62 R63 E67 H77 R78 P80G44-Y69 WeakPolarHBondContact O-CE1 3.42Å; F46-Y69 HydrophobicContact CD2-CD1 4.2Å; F46-Y69 HydrophobicContact CD2-CE1 4.05Å; F46-Y69 HydrophobicContact CE2-CD1 4.36Å; F46-Y69 AromaticContact CE2-CE1 3.78Å; F46-Y69 HydrophobicContact CE2-CE1 3.78Å; I61-Y69 HydrophobicContact CG2-CD1 4.3Å; E62-Y69 WeakPolarHBondContact O-CA 3.37Å; R63-Y69 HydrophobicContact CB-CD1 4.24Å; R63-Y69 HydrophobicContact CB-CE1 3.94Å; R63-Y69 HydrophobicContact CG-CD1 4.48Å; R63-Y69 HydrophobicContact CG-CE1 3.95Å; E67-Y69 WeakPolarHBondContact O-CE2 3.46Å; Y69-H77 PolarHBondContact N-O 3.44Å; Y69-H77 PolarHBondContact O-N 3.36Å; Y69-R78 WeakPolarHBondContact CD2-O 3.5Å; Y69-P80 HydrophobicContact CD1-CG 3.97Å; Y69-P80 HydrophobicContact CD2-CG 4.4Å; Y69-P80 HydrophobicContact CE1-CG 4.01Å; Y69-P80 HydrophobicContact CE2-CG 4.45Å; Y69-P80 HydrophobicContact CG-CG 4.16Å
70A90.8Very high86.2Confident4 Ų459.8 Ų59.83%0.03333%0.331CS..EExtended strand (participates in β ladder)trans-143.5148.517800000111I61 E62 K75I61-A70 CarbonylContact C-O 3.57Å; I61-A70 WeakPolarHBondContact CA-O 3.32Å; E62-A70 PolarHBondContact N-O 2.73Å; E62-A70 PolarHBondContact O-N 2.98Å; E62-A70 VanDerWaalsContact O-N 3.09Å; A70-K75 WeakPolarHBondContact CB-O 3.39Å
71I91.3Very high86.3Confident17 Ų1760.1 Ų60.19%0.08733%0.334CS..EExtended strand (participates in β ladder)trans-76.9142.1160.7-64.3179.4000107.6L48 Y59 T60 I61 G73 G74 V83 L94L48-I71 HydrophobicContact CD2-CD1 4.07Å; Y59-I71 HydrophobicContact CD1-CG2 4.37Å; T60-I71 WeakPolarHBondContact O-CA 3.4Å; I61-I71 HydrophobicContact CG1-CD1 4.35Å; I61-I71 HydrophobicContact CG1-CG1 3.79Å; I71-G73 PolarHBondContact O-N 3.05Å; I71-G73 VanDerWaalsContact O-N 3.14Å; I71-G74 PolarHBondContact O-N 2.9Å; I71-V83 HydrophobicContact CD1-CG1 4.16Å; I71-V83 HydrophobicContact CG1-CG1 4.13Å; I71-L94 HydrophobicContact CD1-CD2 3.83Å
72A81.4Confident86.4Confident75 Ų7562.9 Ų62.962%0.6235%0.349SS*.THydrogen-bonded Turntrans-51.2121.5-175.800000111.9G74A72-G74 VanDerWaalsContact C-N 3.3Å; A72-G74 PolarHBondContact O-N 3.47Å
73G79.3Confident86.9Confident93 Ų9360.1 Ų60.196%0.95934%0.335SS*.THydrogen-bonded Turntrans82.2-4.4-178.300000115.8I71I71-G73 PolarHBondContact O-N 3.05Å; I71-G73 VanDerWaalsContact O-N 3.14Å
74G87Confident87.4Confident24 Ų2456.1 Ų56.125%0.24732%0.32CS..SBendtrans-100.4-172179.600000113.9I71 A72I71-G74 PolarHBondContact O-N 2.9Å; A72-G74 VanDerWaalsContact C-N 3.3Å; A72-G74 PolarHBondContact O-N 3.47Å
75K90Very high88Confident120 Ų12057.3 Ų57.352%0.52233%0.329SS..  trans-68.6147.5179.9-168.2172.2-178.2176.80113.2A70 H77 Y86 D92A70-K75 WeakPolarHBondContact CB-O 3.39Å; K75-H77 PolarHBondContact O-CD2 3.29Å; K75-H77 PolarHBondContact O-NE2 3.5Å; K75-Y86 HydrophobicContact CB-CE1 4.31Å; K75-Y86 HydrophobicContact CD-CE2 4.27Å; K75-D92 PolarHBondContact N-OD2 3.05Å
76S92.8Very high89.2Confident40 Ų4055 Ų5528%0.2831%0.307SS..EExtended strand (participates in β ladder)trans-89.1138.5174-60.70000112.5Q64 M68Q64-S76 VanDerWaalsContact CD-OG 3.26Å; Q64-S76 PolarHBondContact NE2-OG 3.14Å; Q64-S76 VanDerWaalsContact NE2-OG 3.1Å; Q64-S76 PolarHBondContact OE1-OG 3.37Å; M68-S76 WeakPolarHBondContact CE-O 3.31Å
77H93Very high90.1Very high19 Ų1950.7 Ų50.79%0.08828%0.284CS..EExtended strand (participates in β ladder)trans-128.8160.7-176-59.1-90000112M68 Y69 K75 D82 V83 Y86M68-H77 CarbonylContact C-O 3.51Å; M68-H77 VanDerWaalsContact CA-O 3.28Å; M68-H77 WeakPolarHBondContact CA-O 3.46Å; M68-H77 VanDerWaalsContact CB-O 3.27Å; M68-H77 WeakPolarHBondContact CB-O 3.04Å; Y69-H77 PolarHBondContact N-O 3.44Å; Y69-H77 PolarHBondContact O-N 3.36Å; K75-H77 PolarHBondContact O-CD2 3.29Å; K75-H77 PolarHBondContact O-NE2 3.5Å; H77-D82 HydrophobicContact CB-CB 3.86Å; H77-V83 HydrophobicContact CB-CG2 3.68Å; H77-Y86 WeakPolarHBondContact CE1-CB 3.32Å; H77-Y86 AromaticContact CE1-CD1 3.53Å; H77-Y86 AromaticContact CE1-CG 3.37Å; H77-Y86 AromaticContact NE2-CD1 3.57Å; H77-Y86 AromaticContact NE2-CG 3.92Å
78R89.8Confident90.8Very high211 Ų21147 Ų4780%0.79627%0.272SS*.SBendtrans-79.1-32.9-174.5-57179-177-164.10.8112.3Y69 D82Y69-R78 WeakPolarHBondContact CD2-O 3.5Å; R78-D82 WeakPolarHBondContact CB-OD2 3.13Å; R78-D82 PolarHBondContact N-OD2 2.97Å
79C88.3Confident91.2Very high26 Ų2651.6 Ų51.618%0.17629%0.293CS..SBendtrans-141.2166.1175.873.60000111.9T81 D82 V83C79-T81 PolarHBondContact O-N 3.3Å; C79-D82 PolarHBondContact N-OD2 3.45Å; C79-D82 VanDerWaalsContact N-OD2 3.15Å; C79-D82 WeakPolarHBondContact O-CB 3.08Å; C79-D82 PolarHBondContact O-N 3.19Å; C79-D82 PolarHBondContact SG-OD1 3.46Å; C79-D82 VanDerWaalsContact SG-OD1 3.37Å; C79-D82 PolarHBondContact SG-OD2 3.19Å; C79-D82 VanDerWaalsContact SG-OD2 3.34Å; C79-V83 PolarHBondContact O-N 3.01Å
80P89.7Confident91.4Very high0 Ų056 Ų560%031%0.314CS..Hα-helixtrans-62.1-30.4178.3-24.135.3000113.5V5 L36 F46 Y69 V83 I84V5-P80 HydrophobicContact CG2-CB 4.28Å; V5-P80 HydrophobicContact CG2-CG 3.96Å; L36-P80 HydrophobicContact CD2-CB 4.37Å; F46-P80 HydrophobicContact CD2-CB 3.93Å; F46-P80 HydrophobicContact CD2-CG 3.37Å; F46-P80 HydrophobicContact CE2-CB 4.17Å; F46-P80 HydrophobicContact CE2-CG 3.21Å; F46-P80 HydrophobicContact CG-CB 4.32Å; F46-P80 HydrophobicContact CG-CG 4.2Å; F46-P80 HydrophobicContact CZ-CG 3.91Å; Y69-P80 HydrophobicContact CD1-CG 3.97Å; Y69-P80 HydrophobicContact CD2-CG 4.4Å; Y69-P80 HydrophobicContact CE1-CG 4.01Å; Y69-P80 HydrophobicContact CE2-CG 4.45Å; Y69-P80 HydrophobicContact CG-CG 4.16Å; P80-V83 WeakPolarHBondContact O-CB 3.42Å; P80-V83 PolarHBondContact O-N 3.17Å; P80-I84 WeakPolarHBondContact O-CG1 3.27Å; P80-I84 PolarHBondContact O-N 3.35Å
81T91.9Very high91.3Very high40 Ų4060.6 Ų60.625%0.24534%0.336CS..Hα-helixtrans-64.4-42.6176.6-42.70000111C79 V83 I84 D85C79-T81 PolarHBondContact O-N 3.3Å; T81-V83 PolarHBondContact O-N 3.35Å; T81-I84 WeakPolarHBondContact O-CA 3.41Å; T81-I84 WeakPolarHBondContact O-CB 3.16Å; T81-I84 PolarHBondContact O-N 3.04Å; T81-D85 PolarHBondContact O-N 3.38Å
82D93.3Very high91.3Very high58 Ų5863.1 Ų63.131%0.3135%0.349SS..Hα-helixtrans-61.2-32176.1-59.6-22.4000112.4H77 R78 C79 Y86H77-D82 HydrophobicContact CB-CB 3.86Å; R78-D82 WeakPolarHBondContact CB-OD2 3.13Å; R78-D82 PolarHBondContact N-OD2 2.97Å; C79-D82 PolarHBondContact N-OD2 3.45Å; C79-D82 VanDerWaalsContact N-OD2 3.15Å; C79-D82 WeakPolarHBondContact O-CB 3.08Å; C79-D82 PolarHBondContact O-N 3.19Å; C79-D82 PolarHBondContact SG-OD1 3.46Å; C79-D82 VanDerWaalsContact SG-OD1 3.37Å; C79-D82 PolarHBondContact SG-OD2 3.19Å; C79-D82 VanDerWaalsContact SG-OD2 3.34Å; D82-Y86 VanDerWaalsContact O-CB 3.26Å; D82-Y86 WeakPolarHBondContact O-CB 3.4Å; D82-Y86 PolarHBondContact O-N 3.13Å
83V93.8Very high91.7Very high0 Ų063 Ų630%036%0.356CS..Hα-helixtrans-63.9-44.7173.4-179.60000109.6I61 I71 H77 C79 P80 T81 H87I61-V83 HydrophobicContact CD1-CG1 4.09Å; I61-V83 HydrophobicContact CG1-CG1 4.35Å; I61-V83 HydrophobicContact CG2-CG2 4.26Å; I71-V83 HydrophobicContact CD1-CG1 4.16Å; I71-V83 HydrophobicContact CG1-CG1 4.13Å; H77-V83 HydrophobicContact CB-CG2 3.68Å; C79-V83 PolarHBondContact O-N 3.01Å; P80-V83 WeakPolarHBondContact O-CB 3.42Å; P80-V83 PolarHBondContact O-N 3.17Å; T81-V83 PolarHBondContact O-N 3.35Å; V83-H87 WeakPolarHBondContact O-CB 3.34Å; V83-H87 PolarHBondContact O-CD2 3.4Å; V83-H87 PolarHBondContact O-N 3.18Å
84I94.7Very high92.3Very high1 Ų159.2 Ų59.21%0.00531%0.313CS..Hα-helixtrans-64.3-46.9177.7-59.3-56.5000110.9Y34 L36 L48 P80 T81 Y86 H87 S88 L98Y34-I84 HydrophobicContact CD2-CD1 4.45Å; Y34-I84 HydrophobicContact CE2-CD1 4.32Å; Y34-I84 HydrophobicContact CE2-CG2 3.59Å; Y34-I84 WeakPolarHBondContact OH-CG2 3.26Å; L36-I84 HydrophobicContact CD1-CD1 4.46Å; L48-I84 HydrophobicContact CD1-CD1 3.62Å; L48-I84 HydrophobicContact CD2-CD1 4.23Å; L48-I84 HydrophobicContact CG-CD1 4.43Å; P80-I84 WeakPolarHBondContact O-CG1 3.27Å; P80-I84 PolarHBondContact O-N 3.35Å; T81-I84 WeakPolarHBondContact O-CA 3.41Å; T81-I84 WeakPolarHBondContact O-CB 3.16Å; T81-I84 PolarHBondContact O-N 3.04Å; I84-Y86 PolarHBondContact O-N 2.78Å; I84-H87 CarbonylContact O-C 3.59Å; I84-H87 PolarHBondContact O-N 3.37Å; I84-S88 PolarHBondContact O-N 3.26Å; I84-L98 HydrophobicContact CB-CD1 4.33Å; I84-L98 HydrophobicContact CD1-CD1 3.82Å; I84-L98 HydrophobicContact CG2-CD1 3.93Å
85D94.4Very high92.7Very high87 Ų8760.2 Ų60.247%0.46532%0.315SS..Hα-helixtrans-63-43.2-178.4-66.7-20.7000111T81 H87 S88T81-D85 PolarHBondContact O-N 3.38Å; D85-H87 PolarHBondContact O-N 3.17Å; D85-S88 WeakPolarHBondContact O-CB 3.33Å; D85-S88 PolarHBondContact O-N 2.78Å; D85-S88 PolarHBondContact O-OG 2.88Å
86Y95.8Very high93Very high56 Ų5655.2 Ų55.222%0.2230%0.295CS..Hα-helixtrans-58.9-48.8173.8177-112.7000111.9K75 H77 D82 I84 S88 Q89 E90 D92K75-Y86 HydrophobicContact CB-CE1 4.31Å; K75-Y86 HydrophobicContact CD-CE2 4.27Å; H77-Y86 WeakPolarHBondContact CE1-CB 3.32Å; H77-Y86 AromaticContact CE1-CD1 3.53Å; H77-Y86 AromaticContact CE1-CG 3.37Å; H77-Y86 AromaticContact NE2-CD1 3.57Å; H77-Y86 AromaticContact NE2-CG 3.92Å; D82-Y86 VanDerWaalsContact O-CB 3.26Å; D82-Y86 WeakPolarHBondContact O-CB 3.4Å; D82-Y86 PolarHBondContact O-N 3.13Å; I84-Y86 PolarHBondContact O-N 2.78Å; Y86-S88 PolarHBondContact O-N 3.07Å; Y86-Q89 PolarHBondContact O-N 3.43Å; Y86-E90 HydrophobicContact CD2-CB 4.3Å; Y86-E90 HydrophobicContact CD2-CG 4.38Å; Y86-E90 HydrophobicContact CE1-CB 4.13Å; Y86-E90 HydrophobicContact CE2-CB 3.74Å; Y86-E90 HydrophobicContact CE2-CG 3.72Å; Y86-E90 PolarHBondContact O-N 3.32Å; Y86-D92 HydrophobicContact CE1-CB 3.76Å
87H96.4Very high93.2Very high2 Ų255.9 Ų55.91%0.00930%0.295CS..Hα-helixtrans-75.5-3.1-178-76-64000115.1V83 I84 D85 Q89 E90 M91 L94 L98V83-H87 WeakPolarHBondContact O-CB 3.34Å; V83-H87 PolarHBondContact O-CD2 3.4Å; V83-H87 PolarHBondContact O-N 3.18Å; I84-H87 CarbonylContact O-C 3.59Å; I84-H87 PolarHBondContact O-N 3.37Å; D85-H87 PolarHBondContact O-N 3.17Å; H87-Q89 VanDerWaalsContact C-N 3.3Å; H87-E90 VanDerWaalsContact CA-O 3.27Å; H87-E90 WeakPolarHBondContact CA-O 3.27Å; H87-E90 PolarHBondContact ND1-O 2.88Å; H87-M91 PolarHBondContact CE1-O 2.99Å; H87-M91 PolarHBondContact ND1-O 3Å; H87-L94 HydrophobicContact CB-CD1 3.52Å; H87-L94 VanDerWaalsContact CG-CD1 3.42Å; H87-L94 WeakPolarHBondContact ND1-CD1 3.41Å; H87-L98 HydrophobicContact CB-CD1 3.72Å; H87-L98 HydrophobicContact CB-CG 3.96Å; H87-L98 PolarHBondContact O-N 2.72Å
88S95.6Very high93.4Very high48 Ų4855.3 Ų55.334%0.33629%0.293SS..Hα-helixtrans-76-21.9165.977.60000112.5I84 D85 Y86 L98I84-S88 PolarHBondContact O-N 3.26Å; D85-S88 WeakPolarHBondContact O-CB 3.33Å; D85-S88 PolarHBondContact O-N 2.78Å; D85-S88 PolarHBondContact O-OG 2.88Å; Y86-S88 PolarHBondContact O-N 3.07Å; S88-L98 WeakPolarHBondContact CA-O 3.18Å; S88-L98 WeakPolarHBondContact CB-O 3.13Å
89Q95.8Very high93.7Very high151 Ų15152.5 Ų52.571%0.70629%0.286SS*.Hα-helixtrans-111.6-36.8-177.4-58.2179.717.400112.2Y86 H87 L97Y86-Q89 PolarHBondContact O-N 3.43Å; H87-Q89 VanDerWaalsContact C-N 3.3Å; Q89-L97 VanDerWaalsContact C-CD2 3.44Å; Q89-L97 WeakPolarHBondContact O-CD2 3.49Å
90E94.2Very high94.1Very high105 Ų10556.9 Ų56.949%0.49130%0.302SS..  trans-120.4134.1-175.3-70.3-65.2162.500111.6Y86 H87 L97Y86-E90 HydrophobicContact CD2-CB 4.3Å; Y86-E90 HydrophobicContact CD2-CG 4.38Å; Y86-E90 HydrophobicContact CE1-CB 4.13Å; Y86-E90 HydrophobicContact CE2-CB 3.74Å; Y86-E90 HydrophobicContact CE2-CG 3.72Å; Y86-E90 PolarHBondContact O-N 3.32Å; H87-E90 VanDerWaalsContact CA-O 3.27Å; H87-E90 WeakPolarHBondContact CA-O 3.27Å; H87-E90 PolarHBondContact ND1-O 2.88Å; E90-L97 VanDerWaalsContact C-CD2 3.43Å
91M89.9Confident94.4Very high99 Ų9958.9 Ų58.949%0.48832%0.315SS..  trans-73.7-45.1178.8-71.4-170.7-65.900111.7H87 G93 L94 L97H87-M91 PolarHBondContact CE1-O 2.99Å; H87-M91 PolarHBondContact ND1-O 3Å; M91-G93 PolarHBondContact O-N 2.87Å; M91-G93 VanDerWaalsContact O-N 3.1Å; M91-L94 VanDerWaalsContact O-CB 3.26Å; M91-L94 WeakPolarHBondContact O-CB 3.48Å; M91-L94 WeakPolarHBondContact O-CG 3.17Å; M91-L94 PolarHBondContact O-N 3.49Å; M91-L97 HydrophobicContact CB-CD2 4.47Å; M91-L97 HydrophobicContact CG-CD2 3.62Å; M91-L97 HydrophobicContact CG-CG 3.95Å
92D90.5Very high94.7Very high70 Ų7057.2 Ų57.237%0.37431%0.305SS..THydrogen-bonded Turntrans38.252.2179.3-166.633.7000113.5K75 Y86K75-D92 PolarHBondContact N-OD2 3.05Å; Y86-D92 HydrophobicContact CE1-CB 3.76Å
93G88.9Confident94.8Very high74 Ų7458.4 Ų58.476%0.76331%0.312SS*.THydrogen-bonded Turntrans89.5-5.8-179.900000116.5M91M91-G93 PolarHBondContact O-N 2.87Å; M91-G93 VanDerWaalsContact O-N 3.1Å
94L93.4Very high94.9Very high12 Ų1260.3 Ų60.36%0.06332%0.319CS..  trans-72.3154.2169.4-63-168.3000112.3L48 Y59 I71 H87 M91 C96 L98L48-L94 HydrophobicContact CD2-CD1 4.19Å; Y59-L94 HydrophobicContact CD1-CD2 3.56Å; Y59-L94 HydrophobicContact CD2-CD2 3.6Å; Y59-L94 HydrophobicContact CE1-CD2 3.61Å; Y59-L94 HydrophobicContact CE2-CD2 3.65Å; Y59-L94 HydrophobicContact CG-CD2 3.55Å; I71-L94 HydrophobicContact CD1-CD2 3.83Å; H87-L94 HydrophobicContact CB-CD1 3.52Å; H87-L94 VanDerWaalsContact CG-CD1 3.42Å; H87-L94 WeakPolarHBondContact ND1-CD1 3.41Å; M91-L94 VanDerWaalsContact O-CB 3.26Å; M91-L94 WeakPolarHBondContact O-CB 3.48Å; M91-L94 WeakPolarHBondContact O-CG 3.17Å; M91-L94 PolarHBondContact O-N 3.49Å; L94-C96 VanDerWaalsContact C-N 3.25Å; L94-C96 PolarHBondContact O-N 3.1Å; L94-L98 HydrophobicContact CD1-CD2 4.29Å; L94-L98 HydrophobicContact CD1-CG 4.32Å
95V95.6Very high94.8Very high45 Ų4563.4 Ų63.427%0.27334%0.339SS..SBendtrans-64.7-30.3178.171.30000112.7N52 Y57 Y59N52-V95 HydrophobicContact CB-CG1 3.75Å; N52-V95 HydrophobicContact CB-CG2 4.28Å; N52-V95 WeakPolarHBondContact ND2-CG2 3.01Å; Y57-V95 HydrophobicContact CD1-CB 4.21Å; Y57-V95 HydrophobicContact CD1-CG1 4.41Å; Y57-V95 HydrophobicContact CD1-CG2 4.28Å; Y57-V95 HydrophobicContact CD2-CB 4.24Å; Y57-V95 HydrophobicContact CD2-CG1 3.67Å; Y57-V95 HydrophobicContact CD2-CG2 4.22Å; Y57-V95 HydrophobicContact CE1-CB 4.32Å; Y57-V95 HydrophobicContact CE1-CG2 3.88Å; Y57-V95 HydrophobicContact CE2-CB 4.35Å; Y57-V95 HydrophobicContact CE2-CG1 4.08Å; Y57-V95 HydrophobicContact CE2-CG2 3.82Å; Y57-V95 HydrophobicContact CG-CB 4.17Å; Y57-V95 HydrophobicContact CG-CG1 3.86Å; Y57-V95 HydrophobicContact CG-CG2 4.44Å; Y59-V95 WeakPolarHBondContact OH-CB 3.32Å; Y59-V95 PolarHBondContact OH-N 3.14Å
96C94.9Very high94.5Very high16 Ų1668.8 Ų68.811%0.10836%0.358CS..SBendtrans-161.7164.9176.8680000110.1L94L94-C96 VanDerWaalsContact C-N 3.25Å; L94-C96 PolarHBondContact O-N 3.1Å
97L97Very high94Very high54 Ų5474 Ų7428%0.28339%0.39SS..  trans-62.4146.8170.7-62.6176.9000111.8G32 Q89 E90 M91 K99G32-L97 WeakPolarHBondContact CA-O 3.49Å; Q89-L97 VanDerWaalsContact C-CD2 3.44Å; Q89-L97 WeakPolarHBondContact O-CD2 3.49Å; E90-L97 VanDerWaalsContact C-CD2 3.43Å; M91-L97 HydrophobicContact CB-CD2 4.47Å; M91-L97 HydrophobicContact CG-CD2 3.62Å; M91-L97 HydrophobicContact CG-CG 3.95Å; L97-K99 PolarHBondContact O-N 2.96Å
98L97.3Very high93.7Very high7 Ų776.3 Ų76.34%0.03740%0.401CS..  trans-76.5115.9172.3-56.6-176.8000109.5Y34 L48 V50 I84 H87 S88 L94Y34-L98 HydrophobicContact CD1-CB 3.83Å; Y34-L98 HydrophobicContact CD1-CD2 4.12Å; Y34-L98 HydrophobicContact CD1-CG 4.43Å; Y34-L98 HydrophobicContact CE1-CB 3.91Å; Y34-L98 HydrophobicContact CG-CB 4.41Å; Y34-L98 HydrophobicContact CG-CD2 3.98Å; L48-L98 HydrophobicContact CD1-CD1 4.27Å; L48-L98 HydrophobicContact CD1-CD2 4.31Å; L48-L98 HydrophobicContact CD2-CD1 3.91Å; L48-L98 HydrophobicContact CD2-CD2 4.11Å; V50-L98 HydrophobicContact CG1-CD2 4.19Å; V50-L98 HydrophobicContact CG2-CD2 3.67Å; I84-L98 HydrophobicContact CB-CD1 4.33Å; I84-L98 HydrophobicContact CD1-CD1 3.82Å; I84-L98 HydrophobicContact CG2-CD1 3.93Å; H87-L98 HydrophobicContact CB-CD1 3.72Å; H87-L98 HydrophobicContact CB-CG 3.96Å; H87-L98 PolarHBondContact O-N 2.72Å; S88-L98 WeakPolarHBondContact CA-O 3.18Å; S88-L98 WeakPolarHBondContact CB-O 3.13Å; L94-L98 HydrophobicContact CD1-CD2 4.29Å; L94-L98 HydrophobicContact CD1-CG 4.32Å
99K96.3Very high93.4Very high151 Ų15180.9 Ų80.966%0.65742%0.417SS*.  trans-111-45.1-172.7-66.4-176.3-180-178.10113G32 L97G32-K99 PolarHBondContact O-N 2.84Å; L97-K99 PolarHBondContact O-N 2.96Å
100K96.7Very high93.1Very high118 Ų11874.4 Ų74.451%0.51339%0.389SS..EExtended strand (participates in β ladder)trans-135.6122.9-172.8-172175.2179.5-179.90111.2G32 L33 Y34G32-K100 PolarHBondContact O-N 2.83Å; G32-K100 VanDerWaalsContact O-N 3.09Å; L33-K100 CarbonylContact C-O 3.55Å; L33-K100 VanDerWaalsContact CA-O 3.31Å; L33-K100 WeakPolarHBondContact CA-O 3.06Å; L33-K100 HydrophobicContact CD1-CB 4.21Å; L33-K100 HydrophobicContact CD1-CD 4.31Å; L33-K100 HydrophobicContact CD1-CG 4.15Å; Y34-K100 WeakPolarHBondContact CD1-O 3.43Å; Y34-K100 WeakPolarHBondContact CE1-O 3.38Å; Y34-K100 PolarHBondContact N-O 3.13Å
101P97.1Very high92.8Very high42 Ų4273.7 Ų73.727%0.27338%0.384SS..EExtended strand (participates in β ladder)trans-70.5132.7170.726.8-31.6000110.5F10 Y34 N103F10-P101 HydrophobicContact CB-CB 3.76Å; F10-P101 HydrophobicContact CD1-CB 3.52Å; F10-P101 HydrophobicContact CD1-CG 4.35Å; F10-P101 HydrophobicContact CE1-CB 4.33Å; F10-P101 HydrophobicContact CG-CB 3.78Å; Y34-P101 HydrophobicContact CE1-CB 4.17Å; Y34-P101 HydrophobicContact CE2-CB 4.26Å; Y34-P101 CarbonylContact O-C 3.59Å; P101-N103 PolarHBondContact O-N 2.89Å
102C97Very high92.3Very high6 Ų672.8 Ų72.84%0.04138%0.384CS..  trans-82.596164.9177.50000107F10 Y12 L24 A27 L33 Y34 L35F10-C102 WeakPolarHBondContact CA-O 3.27Å; F10-C102 WeakPolarHBondContact CB-O 2.93Å; Y12-C102 WeakPolarHBondContact CE2-O 3.35Å; Y12-C102 PolarHBondContact OH-SG 3.2Å; Y12-C102 VanDerWaalsContact OH-SG 3.42Å; L24-C102 HydrophobicContact CD2-CB 3.95Å; A27-C102 HydrophobicContact CB-CB 4.43Å; A27-C102 VanDerWaalsContact CB-SG 3.58Å; L33-C102 HydrophobicContact CD1-CB 3.89Å; L33-C102 HydrophobicContact CG-CB 4.14Å; Y34-C102 VanDerWaalsContact O-CB 3.31Å; Y34-C102 WeakPolarHBondContact O-CB 3.18Å; Y34-C102 PolarHBondContact O-N 3.09Å; L35-C102 HydrophobicContact CB-CB 4.16Å
103N96.6Very high91.3Very high83 Ų8369.5 Ų69.544%0.44437%0.366SS..PPolyproline II helixtrans-75.1144.8179.6-66.6-30.1000110.9P9 Y12 P101P9-N103 HydrophobicContact CB-CB 4.24Å; P9-N103 CarbonylContact O-C 3.56Å; P9-N103 WeakPolarHBondContact O-CA 3.41Å; Y12-N103 PolarHBondContact OH-O 3.3Å; Y12-N103 VanDerWaalsContact OH-O 3.13Å; P101-N103 PolarHBondContact O-N 2.89Å
104R95.4Very high90.2Very high39 Ų3968.9 Ų68.915%0.14735%0.349CS..PPolyproline II helixtrans-51.8142.3169.6-69.6-177.2-61.1-142.510.4110.3Y6 L8 P9 F11 Y12 M108 P110Y6-R104 PolarHBondContact O-NH1 3.34Å; L8-R104 PolarHBondContact O-NH2 3.26Å; P9-R104 WeakPolarHBondContact O-CB 3.42Å; P9-R104 WeakPolarHBondContact O-CG 3.27Å; P9-R104 PolarHBondContact O-N 3.09Å; F11-R104 WeakPolarHBondContact O-CD 3.36Å; F11-R104 PolarHBondContact O-NH1 3.15Å; Y12-R104 HydrophobicContact CD1-CG 3.98Å; Y12-R104 HydrophobicContact CD2-CG 4.02Å; Y12-R104 HydrophobicContact CE1-CB 4.49Å; Y12-R104 HydrophobicContact CE1-CG 3.91Å; Y12-R104 HydrophobicContact CE2-CG 3.93Å; Y12-R104 HydrophobicContact CG-CG 4.04Å; Y12-R104 PolarHBondContact OH-N 3.31Å; R104-M108 HydrophobicContact CB-CB 4.31Å; R104-M108 WeakPolarHBondContact CD-O 3.23Å; R104-M108 PolarHBondContact NE-O 2.97Å; R104-P110 VanDerWaalsContact NH1-CB 3.31Å
105P91.8Very high88.8Confident66 Ų6670 Ų7043%0.42935%0.353SS..PPolyproline II helixtrans-51.8153.9167.5-25.433.6000112.2N107 M108P105-N107 PolarHBondContact O-N 3.07Å; P105-M108 HydrophobicContact CB-CB 4.39Å; P105-M108 HydrophobicContact CG-SD 4.26Å; P105-M108 WeakPolarHBondContact O-CB 3.41Å; P105-M108 PolarHBondContact O-N 3.36Å; P105-M108 VanDerWaalsContact O-N 3.07Å
106K87.4Confident87.6Confident201 Ų20169.1 Ų69.187%0.87435%0.346SS*.THydrogen-bonded Turntrans-54.1136.2177.3-70.1-175178.9-179.60110.3M108K106-M108 PolarHBondContact O-N 2.96Å
107N86.4Confident86.4Confident165 Ų16572.9 Ų72.988%0.88237%0.365SS*.THydrogen-bonded Turntrans67.12.1-178.3-50.8-30.9000116.2P105 Q109P105-N107 PolarHBondContact O-N 3.07Å; N107-Q109 PolarHBondContact O-N 3.32Å
108M89.4Confident85.1Confident51 Ų5171.5 Ų71.525%0.25136%0.358SS..PPolyproline II helixtrans-79.2117.3173.4-176.1178.9173.300110.2Y12 Y23 R104 P105 K106Y12-M108 HydrophobicContact CD1-CE 3.85Å; Y12-M108 HydrophobicContact CD1-SD 4.34Å; Y12-M108 HydrophobicContact CE1-CE 4.29Å; Y12-M108 HydrophobicContact CE1-SD 4.23Å; Y23-M108 HydrophobicContact CE1-SD 4.35Å; Y23-M108 HydrophobicContact CE2-CE 4.28Å; Y23-M108 VanDerWaalsContact OH-CE 3.25Å; Y23-M108 WeakPolarHBondContact OH-CE 3.27Å; R104-M108 HydrophobicContact CB-CB 4.31Å; R104-M108 WeakPolarHBondContact CD-O 3.23Å; R104-M108 PolarHBondContact NE-O 2.97Å; P105-M108 HydrophobicContact CB-CB 4.39Å; P105-M108 HydrophobicContact CG-SD 4.26Å; P105-M108 WeakPolarHBondContact O-CB 3.41Å; P105-M108 PolarHBondContact O-N 3.36Å; P105-M108 VanDerWaalsContact O-N 3.07Å; K106-M108 PolarHBondContact O-N 2.96Å
109Q88.9Confident84Confident143 Ų14372.2 Ų72.267%0.66836%0.361SS*.PPolyproline II helixtrans-82.1154.9170.7-68.3-64.5-7.300110.8N107 K111N107-Q109 PolarHBondContact O-N 3.32Å; Q109-K111 PolarHBondContact O-N 3.07Å
110P90.2Very high83.2Confident16 Ų1667 Ų6710%0.10434%0.338CS..PPolyproline II helixtrans-62.3135.417519.3-19.7000110Y6 F11 R104 V112Y6-P110 HydrophobicContact CD1-CG 4.06Å; F11-P110 HydrophobicContact CD1-CB 3.95Å; F11-P110 HydrophobicContact CD1-CG 4.46Å; F11-P110 HydrophobicContact CE1-CB 4.02Å; R104-P110 VanDerWaalsContact NH1-CB 3.31Å; P110-V112 PolarHBondContact O-N 2.96Å
111K87.3Confident82.5Confident90 Ų9067.4 Ų67.439%0.39134%0.337SS..BIsolated β-bridgetrans-65.3120.7-179.3-170.5174.6-178.8-178.50109.2Y12 G13 N14 I15 E19 Q109Y12-K111 PolarHBondContact O-N 3.18Å; G13-K111 CarbonylContact C-O 3.45Å; G13-K111 WeakPolarHBondContact CA-O 3.12Å; N14-K111 PolarHBondContact N-O 2.93Å; I15-K111 HydrophobicContact CG2-CB 4.01Å; I15-K111 HydrophobicContact CG2-CD 3.89Å; E19-K111 IonicContact OE1-NZ 3.55Å; E19-K111 PolarHBondContact OE1-NZ 3.33Å; E19-K111 IonicContact OE2-NZ 2.8Å; E19-K111 PolarHBondContact OE2-NZ 2.91Å; E19-K111 VanDerWaalsContact OE2-NZ 3.15Å; Q109-K111 PolarHBondContact O-N 3.07Å
112V79.8Confident81.7Confident80 Ų8066.3 Ų66.349%0.48533%0.329SS..PPolyproline II helixtrans-77.9134.4174.3-170.30000108.2P110 E116 D117P110-V112 PolarHBondContact O-N 2.96Å; V112-E116 HydrophobicContact CG1-CB 3.52Å; V112-D117 WeakPolarHBondContact CG1-OD1 3.34Å
113G70.3Confident81.1Confident1 Ų166 Ų661%0.0133%0.327CS..PPolyproline II helixtrans-82.4156.7179.100000112.3N14 F115 E116 D117N14-G113 WeakPolarHBondContact ND2-CA 3.35Å; G113-F115 PolarHBondContact O-N 2.8Å; G113-E116 PolarHBondContact O-N 3.07Å; G113-D117 PolarHBondContact O-N 3.39Å; G113-D117 VanDerWaalsContact O-N 3.07Å
114P65.1Low80.7Confident60 Ų6066.4 Ų66.439%0.3932%0.322SS..Hα-helixtrans-54.1-28174-23.732000113N14 L118N14-P114 WeakPolarHBondContact ND2-CD 3.11Å; P114-L118 VanDerWaalsContact O-CB 3.23Å; P114-L118 WeakPolarHBondContact O-CB 3.49Å; P114-L118 PolarHBondContact O-N 3.01Å; P114-L118 VanDerWaalsContact O-N 3.14Å
115F65.2Low80.1Confident36 Ų3668 Ų6816%0.15833%0.331CS..Hα-helixtrans-68.3-46.5174.9179.6-103000112.8L43 G113 L118 K119 W233 L237L43-F115 HydrophobicContact CD1-CD1 4.38Å; L43-F115 HydrophobicContact CD1-CE1 3.38Å; L43-F115 HydrophobicContact CD1-CE2 4.18Å; L43-F115 HydrophobicContact CD1-CZ 3.27Å; G113-F115 PolarHBondContact O-N 2.8Å; F115-L118 PolarHBondContact O-N 3.15Å; F115-K119 HydrophobicContact CE1-CD 3.83Å; F115-K119 HydrophobicContact CZ-CD 4.15Å; F115-K119 WeakPolarHBondContact O-CB 3.46Å; F115-K119 PolarHBondContact O-N 3.14Å; F115-W233 AromaticContact CD2-CD1 3.77Å; F115-L237 HydrophobicContact CB-CD1 3.85Å; F115-L237 HydrophobicContact CD2-CD1 3.87Å; F115-L237 HydrophobicContact CG-CD1 4.31Å
116E69.8Low79.8Confident26 Ų2668 Ų6812%0.12132%0.323CS..Hα-helixtrans-69.9-40.3-179.4-69.8-60.9160.800110.8Q38 V112 G113 L118 K119 E120Q38-E116 PolarHBondContact NE2-OE1 2.71Å; V112-E116 HydrophobicContact CG1-CB 3.52Å; G113-E116 PolarHBondContact O-N 3.07Å; E116-L118 VanDerWaalsContact C-N 3.35Å; E116-L118 PolarHBondContact O-N 2.92Å; E116-K119 PolarHBondContact O-N 2.83Å; E116-K119 IonicContact OE2-NZ 2.72Å; E116-E120 VanDerWaalsContact O-CB 3.3Å; E116-E120 WeakPolarHBondContact O-CB 3.47Å; E116-E120 PolarHBondContact O-N 3.49Å
117D70.4Confident79.7Confident96 Ų9658.4 Ų58.451%0.51328%0.281SS..Hα-helixtrans-60.5-45.3175.1-71.6-27.1000111.8V112 G113 R121V112-D117 WeakPolarHBondContact CG1-OD1 3.34Å; G113-D117 PolarHBondContact O-N 3.39Å; G113-D117 VanDerWaalsContact O-N 3.07Å; D117-R121 WeakPolarHBondContact O-CB 3.23Å; D117-R121 PolarHBondContact O-N 3.3Å
118L69.9Low79.8Confident24 Ų2455.3 Ų55.313%0.12626%0.26CS..Hα-helixtrans-67.9-43177.4179.765000111.9P114 F115 E116 E120 R121 L122 W233P114-L118 VanDerWaalsContact O-CB 3.23Å; P114-L118 WeakPolarHBondContact O-CB 3.49Å; P114-L118 PolarHBondContact O-N 3.01Å; P114-L118 VanDerWaalsContact O-N 3.14Å; F115-L118 PolarHBondContact O-N 3.15Å; E116-L118 VanDerWaalsContact C-N 3.35Å; E116-L118 PolarHBondContact O-N 2.92Å; L118-E120 VanDerWaalsContact C-N 3.33Å; L118-E120 PolarHBondContact O-N 2.79Å; L118-R121 WeakPolarHBondContact O-CB 3.26Å; L118-R121 PolarHBondContact O-N 2.99Å; L118-L122 HydrophobicContact CD1-CD1 4.3Å; L118-L122 HydrophobicContact CD1-CG 4.15Å; L118-L122 HydrophobicContact CD2-CD1 4.38Å; L118-L122 HydrophobicContact CG-CD1 3.9Å; L118-L122 HydrophobicContact CG-CG 4.19Å; L118-L122 WeakPolarHBondContact O-CB 3.26Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 2.85Å; L118-W233 HydrophobicContact CD2-CD2 4.04Å; L118-W233 HydrophobicContact CD2-CH2 3.65Å; L118-W233 HydrophobicContact CD2-CZ2 2.95Å; L118-W233 HydrophobicContact CD2-CZ3 4.38Å; L118-W233 HydrophobicContact CG-CZ2 4.44Å
119K73.9Confident79.5Confident22 Ų2259 Ų5910%0.09628%0.277CS..Hα-helixtrans-59.2-46.4177.7176.7-177.2164.5-157.40110.4F115 E116 R121 L122 I123 E150 I153F115-K119 HydrophobicContact CE1-CD 3.83Å; F115-K119 HydrophobicContact CZ-CD 4.15Å; F115-K119 WeakPolarHBondContact O-CB 3.46Å; F115-K119 PolarHBondContact O-N 3.14Å; E116-K119 PolarHBondContact O-N 2.83Å; E116-K119 IonicContact OE2-NZ 2.72Å; K119-R121 VanDerWaalsContact C-N 3.33Å; K119-R121 PolarHBondContact O-N 2.82Å; K119-L122 PolarHBondContact O-N 3.47Å; K119-I123 HydrophobicContact CG-CD1 3.95Å; K119-I123 WeakPolarHBondContact O-CB 3.29Å; K119-I123 VanDerWaalsContact O-CG1 3.25Å; K119-I123 WeakPolarHBondContact O-CG1 3.19Å; K119-I123 PolarHBondContact O-N 2.7Å; K119-E150 VanDerWaalsContact CE-CD 3.41Å; K119-E150 IonicContact NZ-OE1 3.53Å; K119-E150 PolarHBondContact NZ-OE1 3.3Å; K119-E150 IonicContact NZ-OE2 3.84Å; K119-E150 PolarHBondContact NZ-OE2 3.38Å; K119-I153 HydrophobicContact CG-CG2 4.33Å
120E78.7Confident79.3Confident41 Ų4155.3 Ų55.319%0.19226%0.264CS..Hα-helixtrans-59.2-43.8175.1-170.866.3-142.600111.1E116 L118 I123 R124 R146E116-E120 VanDerWaalsContact O-CB 3.3Å; E116-E120 WeakPolarHBondContact O-CB 3.47Å; E116-E120 PolarHBondContact O-N 3.49Å; L118-E120 VanDerWaalsContact C-N 3.33Å; L118-E120 PolarHBondContact O-N 2.79Å; E120-I123 PolarHBondContact O-N 3.4Å; E120-R124 PolarHBondContact O-N 3.44Å; E120-R146 IonicContact OE2-CZ 3.55Å; E120-R146 IonicContact OE2-NH2 3.66Å; E120-R146 PolarHBondContact OE2-NH2 2.98Å
121R81.7Confident79.2Confident127 Ų12760.2 Ų60.248%0.47928%0.281SS..Hα-helixtrans-61.5-45.8174.8-173.9172.867.391.3-6.7112.5D117 L118 K119 R124 E125D117-R121 WeakPolarHBondContact O-CB 3.23Å; D117-R121 PolarHBondContact O-N 3.3Å; L118-R121 WeakPolarHBondContact O-CB 3.26Å; L118-R121 PolarHBondContact O-N 2.99Å; K119-R121 VanDerWaalsContact C-N 3.33Å; K119-R121 PolarHBondContact O-N 2.82Å; R121-R124 PolarHBondContact O-N 3.24Å; R121-E125 HydrophobicContact CG-CG 4.5Å; R121-E125 IonicContact CZ-OE1 2.73Å; R121-E125 IonicContact NH1-OE1 3.66Å; R121-E125 PolarHBondContact NH1-OE1 3.49Å; R121-E125 IonicContact NH1-OE2 3.92Å; R121-E125 WeakPolarHBondContact O-CB 3.41Å; R121-E125 WeakPolarHBondContact O-CG 3.44Å; R121-E125 PolarHBondContact O-N 3.2Å
122L80.5Confident79.3Confident19 Ų1962.4 Ų62.410%0.09930%0.297CS..Hα-helixtrans-66.1-39.2179.6-70.5172.5000112.1L118 K119 E125 Y126 I153 A157 M161L118-L122 HydrophobicContact CD1-CD1 4.3Å; L118-L122 HydrophobicContact CD1-CG 4.15Å; L118-L122 HydrophobicContact CD2-CD1 4.38Å; L118-L122 HydrophobicContact CG-CD1 3.9Å; L118-L122 HydrophobicContact CG-CG 4.19Å; L118-L122 WeakPolarHBondContact O-CB 3.26Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 2.85Å; K119-L122 PolarHBondContact O-N 3.47Å; L122-E125 PolarHBondContact O-N 2.86Å; L122-Y126 VanDerWaalsContact O-CB 3.23Å; L122-Y126 WeakPolarHBondContact O-CB 3.38Å; L122-Y126 PolarHBondContact O-N 3.26Å; L122-I153 HydrophobicContact CB-CD1 4.16Å; L122-I153 HydrophobicContact CB-CG1 4.49Å; L122-I153 HydrophobicContact CB-CG2 3.95Å; L122-I153 HydrophobicContact CD1-CG2 4.06Å; L122-A157 HydrophobicContact CD1-CB 3.96Å; L122-M161 HydrophobicContact CD1-CE 4.41Å; L122-M161 HydrophobicContact CD2-CE 3.53Å
123I83.9Confident79.8Confident1 Ų161 Ų611%0.00529%0.286CS..Hα-helixtrans-61.1-49.9174-71.7170.7000109.8K119 E120 E125 Y126 V127 I142 L149 E150 I153K119-I123 HydrophobicContact CG-CD1 3.95Å; K119-I123 WeakPolarHBondContact O-CB 3.29Å; K119-I123 VanDerWaalsContact O-CG1 3.25Å; K119-I123 WeakPolarHBondContact O-CG1 3.19Å; K119-I123 PolarHBondContact O-N 2.7Å; E120-I123 PolarHBondContact O-N 3.4Å; I123-E125 PolarHBondContact O-N 3.35Å; I123-Y126 PolarHBondContact O-N 2.83Å; I123-V127 WeakPolarHBondContact O-CG2 3.44Å; I123-V127 PolarHBondContact O-N 3.08Å; I123-I142 HydrophobicContact CG2-CG1 4.17Å; I123-I142 HydrophobicContact CG2-CG2 4.05Å; I123-L149 HydrophobicContact CG1-CB 4.33Å; I123-L149 HydrophobicContact CG2-CB 4.03Å; I123-L149 HydrophobicContact CG2-CD1 3.93Å; I123-L149 HydrophobicContact CG2-CG 4.48Å; I123-E150 HydrophobicContact CD1-CG 3.78Å; I123-I153 HydrophobicContact CG1-CB 4.34Å; I123-I153 HydrophobicContact CG1-CG1 3.65Å
124R87.8Confident80.7Confident90 Ų9067.8 Ų67.834%0.3432%0.318SS..Hα-helixtrans-59.1-47.5176.8-88.5-178.9170.2138.92.7112.4E120 R121 V127 K128 E139 I142E120-R124 PolarHBondContact O-N 3.44Å; R121-R124 PolarHBondContact O-N 3.24Å; R124-V127 PolarHBondContact O-N 2.82Å; R124-K128 WeakPolarHBondContact O-CB 3.47Å; R124-K128 WeakPolarHBondContact O-CG 3.36Å; R124-K128 PolarHBondContact O-N 3.11Å; R124-E139 IonicContact CZ-OE1 3.9Å; R124-E139 IonicContact CZ-OE2 3.79Å; R124-E139 IonicContact NE-OE1 3.93Å; R124-E139 PolarHBondContact NE-OE1 3.17Å; R124-E139 IonicContact NE-OE2 3.93Å; R124-E139 IonicContact NH2-OE1 2.86Å; R124-E139 PolarHBondContact NH2-OE1 3.2Å; R124-E139 IonicContact NH2-OE2 2.83Å; R124-E139 PolarHBondContact NH2-OE2 2.83Å; R124-I142 HydrophobicContact CB-CD1 4.33Å; R124-I142 HydrophobicContact CG-CD1 3.37Å
125E84.8Confident82Confident73 Ų7367.1 Ų67.134%0.34132%0.321SS..Hα-helixtrans-61.9-42.5178-76.9175.4-170.800111.7R121 L122 I123 K128 Q129R121-E125 HydrophobicContact CG-CG 4.5Å; R121-E125 IonicContact CZ-OE1 2.73Å; R121-E125 IonicContact NH1-OE1 3.66Å; R121-E125 PolarHBondContact NH1-OE1 3.49Å; R121-E125 IonicContact NH1-OE2 3.92Å; R121-E125 WeakPolarHBondContact O-CB 3.41Å; R121-E125 WeakPolarHBondContact O-CG 3.44Å; R121-E125 PolarHBondContact O-N 3.2Å; L122-E125 PolarHBondContact O-N 2.86Å; I123-E125 PolarHBondContact O-N 3.35Å; E125-K128 PolarHBondContact O-N 3.09Å; E125-Q129 WeakPolarHBondContact O-CB 3.28Å; E125-Q129 VanDerWaalsContact O-CG 3.26Å; E125-Q129 WeakPolarHBondContact O-CG 3.46Å; E125-Q129 PolarHBondContact O-N 2.78Å
126Y83.7Confident83.2Confident65 Ų6570.6 Ų70.626%0.25535%0.348SS..Hα-helixtrans-61.4-52.2176.9-179.8-93.2000111.5L122 I123 K128 Q129 T130 L149 L152 I153L122-Y126 VanDerWaalsContact O-CB 3.23Å; L122-Y126 WeakPolarHBondContact O-CB 3.38Å; L122-Y126 PolarHBondContact O-N 3.26Å; I123-Y126 PolarHBondContact O-N 2.83Å; Y126-K128 VanDerWaalsContact C-N 3.33Å; Y126-K128 PolarHBondContact O-N 3.1Å; Y126-Q129 PolarHBondContact O-N 3.31Å; Y126-Q129 VanDerWaalsContact O-N 3.13Å; Y126-T130 HydrophobicContact CE1-CG2 4.44Å; Y126-T130 WeakPolarHBondContact O-CB 3.39Å; Y126-T130 PolarHBondContact O-N 3.32Å; Y126-T130 PolarHBondContact O-OG1 2.93Å; Y126-L149 HydrophobicContact CD1-CD2 3.84Å; Y126-L149 HydrophobicContact CE1-CD2 4.08Å; Y126-L152 HydrophobicContact CD1-CD2 4.17Å; Y126-L152 HydrophobicContact CD2-CD2 4.38Å; Y126-L152 HydrophobicContact CE1-CD2 3.49Å; Y126-L152 VanDerWaalsContact CE1-CD2 3.49Å; Y126-L152 HydrophobicContact CE2-CD2 3.74Å; Y126-L152 WeakPolarHBondContact OH-CD2 3.25Å; Y126-I153 HydrophobicContact CG-CD1 4.41Å
127V86.6Confident84.2Confident0 Ų071.9 Ų71.90%036%0.362CS..Hα-helixtrans-61.8-42-179.51750000111.6I123 R124 Q129 W131 L133 L138 A141 I142 L149I123-V127 WeakPolarHBondContact O-CG2 3.44Å; I123-V127 PolarHBondContact O-N 3.08Å; R124-V127 PolarHBondContact O-N 2.82Å; V127-Q129 VanDerWaalsContact C-N 3.34Å; V127-Q129 PolarHBondContact O-N 2.8Å; V127-W131 HydrophobicContact CB-CE3 4.35Å; V127-W131 HydrophobicContact CB-CZ3 4.44Å; V127-W131 HydrophobicContact CG1-CD2 4.41Å; V127-W131 HydrophobicContact CG1-CE3 3.46Å; V127-W131 VanDerWaalsContact CG1-CE3 3.46Å; V127-W131 HydrophobicContact CG1-CZ3 3.82Å; V127-W131 HydrophobicContact CG2-CE3 4.31Å; V127-W131 HydrophobicContact CG2-CZ3 3.91Å; V127-W131 PolarHBondContact O-N 2.81Å; V127-L133 HydrophobicContact CG1-CD1 4.31Å; V127-L138 HydrophobicContact CB-CD1 3.71Å; V127-L138 HydrophobicContact CG1-CD1 3.33Å; V127-A141 HydrophobicContact CG1-CB 4.29Å; V127-I142 HydrophobicContact CB-CG1 4.38Å; V127-I142 HydrophobicContact CG2-CG1 4.05Å; V127-L149 HydrophobicContact CG2-CD1 3.62Å; V127-L149 HydrophobicContact CG2-CD2 3.68Å; V127-L149 HydrophobicContact CG2-CG 4.32Å
128K87.8Confident85.1Confident100 Ų10067.5 Ų67.544%0.43534%0.339SS..Hα-helixtrans-58.3-45174.1-76.9177.3-178.3-174.10111.8R124 E125 Y126 N132 L138R124-K128 WeakPolarHBondContact O-CB 3.47Å; R124-K128 WeakPolarHBondContact O-CG 3.36Å; R124-K128 PolarHBondContact O-N 3.11Å; E125-K128 PolarHBondContact O-N 3.09Å; Y126-K128 VanDerWaalsContact C-N 3.33Å; Y126-K128 PolarHBondContact O-N 3.1Å; K128-N132 WeakPolarHBondContact O-CA 3.27Å; K128-N132 PolarHBondContact O-N 2.77Å; K128-L138 HydrophobicContact CD-CD2 4.11Å; K128-L138 HydrophobicContact CG-CD1 3.94Å; K128-L138 HydrophobicContact CG-CD2 3.73Å; K128-L138 HydrophobicContact CG-CG 4.49Å
129Q83.7Confident86.1Confident129 Ų12969.4 Ų69.460%0.60335%0.347SS*.Hα-helixtrans-72.4-41-178.6-73.11745.800112.6E125 Y126 V127E125-Q129 WeakPolarHBondContact O-CB 3.28Å; E125-Q129 VanDerWaalsContact O-CG 3.26Å; E125-Q129 WeakPolarHBondContact O-CG 3.46Å; E125-Q129 PolarHBondContact O-N 2.78Å; Y126-Q129 PolarHBondContact O-N 3.31Å; Y126-Q129 VanDerWaalsContact O-N 3.13Å; V127-Q129 VanDerWaalsContact C-N 3.34Å; V127-Q129 PolarHBondContact O-N 2.8Å
130T84.8Confident86.8Confident66 Ų6674.3 Ų74.341%0.40537%0.371SS..Hα-helixtrans-80-37.4-172.8-55.50000112.7Y126Y126-T130 HydrophobicContact CE1-CG2 4.44Å; Y126-T130 WeakPolarHBondContact O-CB 3.39Å; Y126-T130 PolarHBondContact O-N 3.32Å; Y126-T130 PolarHBondContact O-OG1 2.93Å
131W86.8Confident87.3Confident118 Ų11873.2 Ų73.245%0.44737%0.368SS..Hα-helixtrans-115.70.6-175.9-59.1-34.8000113.9V127 L133 A141 Q145 L149V127-W131 HydrophobicContact CB-CE3 4.35Å; V127-W131 HydrophobicContact CB-CZ3 4.44Å; V127-W131 HydrophobicContact CG1-CD2 4.41Å; V127-W131 HydrophobicContact CG1-CE3 3.46Å; V127-W131 VanDerWaalsContact CG1-CE3 3.46Å; V127-W131 HydrophobicContact CG1-CZ3 3.82Å; V127-W131 HydrophobicContact CG2-CE3 4.31Å; V127-W131 HydrophobicContact CG2-CZ3 3.91Å; V127-W131 PolarHBondContact O-N 2.81Å; W131-L133 HydrophobicContact CB-CD1 3.94Å; W131-L133 HydrophobicContact CB-CG 3.78Å; W131-L133 HydrophobicContact CE3-CD1 4.14Å; W131-L133 PolarHBondContact O-N 2.93Å; W131-L133 VanDerWaalsContact O-N 3.11Å; W131-A141 HydrophobicContact CE3-CB 4.16Å; W131-A141 HydrophobicContact CZ3-CB 4.14Å; W131-Q145 HydrophobicContact CH2-CB 4.46Å; W131-Q145 HydrophobicContact CH2-CG 4.27Å; W131-L149 HydrophobicContact CH2-CD2 4.28Å
132N90.7Very high87.6Confident136 Ų13667.3 Ų67.373%0.72735%0.346SS*.  trans52.431.4-178.8-158.735.1000113.7K128K128-N132 WeakPolarHBondContact O-CA 3.27Å; K128-N132 PolarHBondContact O-N 2.77Å
133L89.6Confident87.8Confident50 Ų5071.4 Ų71.426%0.26237%0.367SS..  trans-86.4146.8-178.4-64.2177.7000111.6V127 W131 A137 L138 A141V127-L133 HydrophobicContact CG1-CD1 4.31Å; W131-L133 HydrophobicContact CB-CD1 3.94Å; W131-L133 HydrophobicContact CB-CG 3.78Å; W131-L133 HydrophobicContact CE3-CD1 4.14Å; W131-L133 PolarHBondContact O-N 2.93Å; W131-L133 VanDerWaalsContact O-N 3.11Å; L133-A137 HydrophobicContact CD2-CB 4.28Å; L133-L138 HydrophobicContact CB-CB 4.11Å; L133-L138 HydrophobicContact CB-CD1 4.42Å; L133-A141 HydrophobicContact CD1-CB 3.57Å
134Q90.3Very high87.9Confident145 Ų14575.2 Ų75.268%0.67839%0.394SS*.  trans-140.5165.7175.7-59.9-169.61.600111.4A137 L138Q134-A137 PolarHBondContact O-N 2.88Å; Q134-L138 PolarHBondContact O-N 2.78Å
135G91.2Very high87.8Confident45 Ų4573.7 Ų73.746%0.46439%0.391SS..Hα-helixtrans57.1-141.4175.200000113.2A137 L138 E139G135-A137 VanDerWaalsContact C-N 3.28Å; G135-A137 PolarHBondContact O-N 2.83Å; G135-L138 WeakPolarHBondContact O-CB 3.39Å; G135-L138 PolarHBondContact O-N 2.97Å; G135-E139 PolarHBondContact O-N 2.97Å
136P91.7Very high87.6Confident110 Ų11074.5 Ų74.571%0.71439%0.391SS*.Hα-helixtrans-60-31.8-177.5-25.535.1000114.7L138 E139 Q140P136-L138 VanDerWaalsContact C-N 3.34Å; P136-E139 PolarHBondContact O-N 2.83Å; P136-Q140 WeakPolarHBondContact O-CG 3.34Å; P136-Q140 PolarHBondContact O-N 2.85Å
137A89.7Confident87.2Confident52 Ų5276.1 Ų76.143%0.4341%0.409SS..Hα-helixtrans-66.9-37179.800000112.1L133 Q134 G135 A141L133-A137 HydrophobicContact CD2-CB 4.28Å; Q134-A137 PolarHBondContact O-N 2.88Å; G135-A137 VanDerWaalsContact C-N 3.28Å; G135-A137 PolarHBondContact O-N 2.83Å; A137-A141 WeakPolarHBondContact O-CB 3.45Å; A137-A141 PolarHBondContact O-N 2.83Å
138L90.4Very high86.8Confident5 Ų582.4 Ų82.43%0.02644%0.438CS..Hα-helixtrans-61.4-49.5172.3171.566.1000110.9V127 K128 L133 Q134 G135 P136 Q140 A141 I142V127-L138 HydrophobicContact CB-CD1 3.71Å; V127-L138 HydrophobicContact CG1-CD1 3.33Å; K128-L138 HydrophobicContact CD-CD2 4.11Å; K128-L138 HydrophobicContact CG-CD1 3.94Å; K128-L138 HydrophobicContact CG-CD2 3.73Å; K128-L138 HydrophobicContact CG-CG 4.49Å; L133-L138 HydrophobicContact CB-CB 4.11Å; L133-L138 HydrophobicContact CB-CD1 4.42Å; Q134-L138 PolarHBondContact O-N 2.78Å; G135-L138 WeakPolarHBondContact O-CB 3.39Å; G135-L138 PolarHBondContact O-N 2.97Å; P136-L138 VanDerWaalsContact C-N 3.34Å; L138-Q140 VanDerWaalsContact C-N 3.34Å; L138-Q140 PolarHBondContact O-N 3.22Å; L138-A141 PolarHBondContact O-N 2.96Å; L138-I142 HydrophobicContact CD1-CD1 3.8Å; L138-I142 HydrophobicContact CD1-CG1 4.27Å; L138-I142 HydrophobicContact CG-CD1 3.85Å; L138-I142 WeakPolarHBondContact O-CG1 3.42Å; L138-I142 PolarHBondContact O-N 2.95Å
139E89.7Confident86.6Confident64 Ų6477.9 Ų77.930%0.29942%0.419SS..Hα-helixtrans-63.4-41-177.9-61.7-61.1134.400111.3R124 G135 P136 A141 I142 I143R124-E139 IonicContact CZ-OE1 3.9Å; R124-E139 IonicContact CZ-OE2 3.79Å; R124-E139 IonicContact NE-OE1 3.93Å; R124-E139 PolarHBondContact NE-OE1 3.17Å; R124-E139 IonicContact NE-OE2 3.93Å; R124-E139 IonicContact NH2-OE1 2.86Å; R124-E139 PolarHBondContact NH2-OE1 3.2Å; R124-E139 IonicContact NH2-OE2 2.83Å; R124-E139 PolarHBondContact NH2-OE2 2.83Å; G135-E139 PolarHBondContact O-N 2.97Å; P136-E139 PolarHBondContact O-N 2.83Å; E139-A141 PolarHBondContact O-N 2.95Å; E139-I142 PolarHBondContact O-N 2.79Å; E139-I143 WeakPolarHBondContact O-CB 3.37Å; E139-I143 WeakPolarHBondContact O-CD1 3.42Å; E139-I143 VanDerWaalsContact O-CG1 3.23Å; E139-I143 WeakPolarHBondContact O-CG1 3.25Å; E139-I143 PolarHBondContact O-N 2.87Å
140Q88.7Confident86.3Confident125 Ų12574.3 Ų74.358%0.58440%0.402SS*.Hα-helixtrans-63-42.1175.1-73.3-63.2-30.300112.6P136 L138 I142 I143 S144P136-Q140 WeakPolarHBondContact O-CG 3.34Å; P136-Q140 PolarHBondContact O-N 2.85Å; L138-Q140 VanDerWaalsContact C-N 3.34Å; L138-Q140 PolarHBondContact O-N 3.22Å; Q140-I142 VanDerWaalsContact C-N 3.35Å; Q140-I142 PolarHBondContact O-N 3.34Å; Q140-I143 PolarHBondContact O-N 3.03Å; Q140-S144 VanDerWaalsContact O-CB 3.24Å; Q140-S144 WeakPolarHBondContact O-CB 3.47Å; Q140-S144 PolarHBondContact O-N 3.22Å
141A88.6Confident85.8Confident17 Ų1778.7 Ų78.714%0.1442%0.416CS..Hα-helixtrans-63.4-41.6176.200000111.8V127 W131 L133 A137 L138 E139 S144 Q145V127-A141 HydrophobicContact CG1-CB 4.29Å; W131-A141 HydrophobicContact CE3-CB 4.16Å; W131-A141 HydrophobicContact CZ3-CB 4.14Å; L133-A141 HydrophobicContact CD1-CB 3.57Å; A137-A141 WeakPolarHBondContact O-CB 3.45Å; A137-A141 PolarHBondContact O-N 2.83Å; L138-A141 PolarHBondContact O-N 2.96Å; E139-A141 PolarHBondContact O-N 2.95Å; A141-S144 PolarHBondContact O-N 2.8Å; A141-Q145 WeakPolarHBondContact O-CB 3.36Å; A141-Q145 PolarHBondContact O-N 3.27Å
142I88.1Confident85.5Confident3 Ų375.5 Ų75.52%0.01541%0.407CS..Hα-helixtrans-63.5-47.6176.6-68.6167000110.8I123 R124 V127 L138 E139 Q140 S144 Q145 R146I123-I142 HydrophobicContact CG2-CG1 4.17Å; I123-I142 HydrophobicContact CG2-CG2 4.05Å; R124-I142 HydrophobicContact CB-CD1 4.33Å; R124-I142 HydrophobicContact CG-CD1 3.37Å; V127-I142 HydrophobicContact CB-CG1 4.38Å; V127-I142 HydrophobicContact CG2-CG1 4.05Å; L138-I142 HydrophobicContact CD1-CD1 3.8Å; L138-I142 HydrophobicContact CD1-CG1 4.27Å; L138-I142 HydrophobicContact CG-CD1 3.85Å; L138-I142 WeakPolarHBondContact O-CG1 3.42Å; L138-I142 PolarHBondContact O-N 2.95Å; E139-I142 PolarHBondContact O-N 2.79Å; Q140-I142 VanDerWaalsContact C-N 3.35Å; Q140-I142 PolarHBondContact O-N 3.34Å; I142-S144 PolarHBondContact O-N 3.14Å; I142-Q145 PolarHBondContact O-N 3.1Å; I142-R146 VanDerWaalsContact O-CA 3.25Å; I142-R146 WeakPolarHBondContact O-CA 3.25Å; I142-R146 VanDerWaalsContact O-CB 3.27Å; I142-R146 WeakPolarHBondContact O-CB 3.47Å; I142-R146 PolarHBondContact O-N 2.83Å
143I85.3Confident85.1Confident106 Ų10669.8 Ų69.854%0.54438%0.376SS..Hα-helixtrans-60.4-47.5179.1-68.7164.9000110.4E139 Q140E139-I143 WeakPolarHBondContact O-CB 3.37Å; E139-I143 WeakPolarHBondContact O-CD1 3.42Å; E139-I143 VanDerWaalsContact O-CG1 3.23Å; E139-I143 WeakPolarHBondContact O-CG1 3.25Å; E139-I143 PolarHBondContact O-N 2.87Å; Q140-I143 PolarHBondContact O-N 3.03Å
144S86.1Confident84.2Confident81 Ų8168.5 Ų68.557%0.56637%0.373SS*.Hα-helixtrans-64.4-42.3-178.21790000113Q140 A141 I142Q140-S144 VanDerWaalsContact O-CB 3.24Å; Q140-S144 WeakPolarHBondContact O-CB 3.47Å; Q140-S144 PolarHBondContact O-N 3.22Å; A141-S144 PolarHBondContact O-N 2.8Å; I142-S144 PolarHBondContact O-N 3.14Å
145Q85.4Confident83.3Confident58 Ų5865.5 Ų65.527%0.27137%0.365SS..Hα-helixtrans-103.410.8-172.2-57.7-58.1-48.200113.4W131 A141 I142 Q148 L149W131-Q145 HydrophobicContact CH2-CB 4.46Å; W131-Q145 HydrophobicContact CH2-CG 4.27Å; A141-Q145 WeakPolarHBondContact O-CB 3.36Å; A141-Q145 PolarHBondContact O-N 3.27Å; I142-Q145 PolarHBondContact O-N 3.1Å; Q145-Q148 PolarHBondContact O-N 3.24Å; Q145-Q148 VanDerWaalsContact O-N 3.09Å; Q145-L149 HydrophobicContact CB-CD1 3.85Å; Q145-L149 HydrophobicContact CB-CG 4.09Å; Q145-L149 WeakPolarHBondContact O-CG 3.44Å; Q145-L149 PolarHBondContact O-N 3.5Å
146R81.8Confident82.7Confident90 Ų9065.5 Ų65.534%0.3436%0.356SS..Hα-helixtrans-47.5-52.8-171.3-165.5175-172.6128.317.3113.4E120 I142 Q148 L149 E150E120-R146 IonicContact OE2-CZ 3.55Å; E120-R146 IonicContact OE2-NH2 3.66Å; E120-R146 PolarHBondContact OE2-NH2 2.98Å; I142-R146 VanDerWaalsContact O-CA 3.25Å; I142-R146 WeakPolarHBondContact O-CA 3.25Å; I142-R146 VanDerWaalsContact O-CB 3.27Å; I142-R146 WeakPolarHBondContact O-CB 3.47Å; I142-R146 PolarHBondContact O-N 2.83Å; R146-Q148 VanDerWaalsContact C-N 3.27Å; R146-Q148 PolarHBondContact O-N 3.37Å; R146-L149 PolarHBondContact O-N 2.94Å; R146-E150 HydrophobicContact CG-CG 4.08Å; R146-E150 WeakPolarHBondContact CG-OE1 3.43Å; R146-E150 IonicContact CZ-OE1 3.37Å; R146-E150 IonicContact NE-OE1 2.98Å; R146-E150 PolarHBondContact NE-OE1 3.13Å; R146-E150 IonicContact NH2-OE1 2.94Å; R146-E150 WeakPolarHBondContact O-CB 3.21Å; R146-E150 VanDerWaalsContact O-CG 3.25Å; R146-E150 WeakPolarHBondContact O-CG 3.37Å; R146-E150 PolarHBondContact O-N 2.84Å
147P74.4Confident82Confident99 Ų9960.9 Ų60.964%0.64333%0.327SS*.Hα-helixtrans-60.2-37.5-175.1-22.434.6000113.3K151P147-K151 PolarHBondContact O-N 2.96Å; P147-K151 VanDerWaalsContact O-N 3.14Å
148Q78.2Confident81.4Confident131 Ų13159.1 Ų59.161%0.61231%0.31SS*.Hα-helixtrans-74-42.6-179.1-59.5172.811.600111Q145 R146 E150 K151 L152Q145-Q148 PolarHBondContact O-N 3.24Å; Q145-Q148 VanDerWaalsContact O-N 3.09Å; R146-Q148 VanDerWaalsContact C-N 3.27Å; R146-Q148 PolarHBondContact O-N 3.37Å; Q148-E150 VanDerWaalsContact C-N 3.34Å; Q148-K151 PolarHBondContact O-N 3.48Å; Q148-L152 WeakPolarHBondContact O-CB 3.11Å; Q148-L152 PolarHBondContact O-N 2.99Å
149L83.3Confident81.2Confident6 Ų664.5 Ų64.53%0.03134%0.335CS..Hα-helixtrans-62.2-42.5175.6-68.6168.5000111.3I123 Y126 V127 W131 Q145 R146 L152 I153I123-L149 HydrophobicContact CG1-CB 4.33Å; I123-L149 HydrophobicContact CG2-CB 4.03Å; I123-L149 HydrophobicContact CG2-CD1 3.93Å; I123-L149 HydrophobicContact CG2-CG 4.48Å; Y126-L149 HydrophobicContact CD1-CD2 3.84Å; Y126-L149 HydrophobicContact CE1-CD2 4.08Å; V127-L149 HydrophobicContact CG2-CD1 3.62Å; V127-L149 HydrophobicContact CG2-CD2 3.68Å; V127-L149 HydrophobicContact CG2-CG 4.32Å; W131-L149 HydrophobicContact CH2-CD2 4.28Å; Q145-L149 HydrophobicContact CB-CD1 3.85Å; Q145-L149 HydrophobicContact CB-CG 4.09Å; Q145-L149 WeakPolarHBondContact O-CG 3.44Å; Q145-L149 PolarHBondContact O-N 3.5Å; R146-L149 PolarHBondContact O-N 2.94Å; L149-L152 PolarHBondContact O-N 3.3Å; L149-I153 WeakPolarHBondContact O-CB 3.35Å; L149-I153 WeakPolarHBondContact O-CG1 3.47Å; L149-I153 PolarHBondContact O-N 3.26Å
150E78Confident80.7Confident54 Ų5468.1 Ų68.125%0.25235%0.349SS..Hα-helixtrans-62.5-43.7176.7-69.4-165.5176.700112.1K119 I123 R146 Q148 A154K119-E150 VanDerWaalsContact CE-CD 3.41Å; K119-E150 IonicContact NZ-OE1 3.53Å; K119-E150 PolarHBondContact NZ-OE1 3.3Å; K119-E150 IonicContact NZ-OE2 3.84Å; K119-E150 PolarHBondContact NZ-OE2 3.38Å; I123-E150 HydrophobicContact CD1-CG 3.78Å; R146-E150 HydrophobicContact CG-CG 4.08Å; R146-E150 WeakPolarHBondContact CG-OE1 3.43Å; R146-E150 IonicContact CZ-OE1 3.37Å; R146-E150 IonicContact NE-OE1 2.98Å; R146-E150 PolarHBondContact NE-OE1 3.13Å; R146-E150 IonicContact NH2-OE1 2.94Å; R146-E150 WeakPolarHBondContact O-CB 3.21Å; R146-E150 VanDerWaalsContact O-CG 3.25Å; R146-E150 WeakPolarHBondContact O-CG 3.37Å; R146-E150 PolarHBondContact O-N 2.84Å; Q148-E150 VanDerWaalsContact C-N 3.34Å; E150-A154 VanDerWaalsContact O-CB 3.27Å; E150-A154 WeakPolarHBondContact O-CB 3.37Å; E150-A154 PolarHBondContact O-N 2.82Å
151K74.3Confident80.4Confident157 Ų15763.2 Ų63.268%0.68333%0.327SS*.Hα-helixtrans-62.5-45.5175.5-173.3177.1-178.6178.50111.2P147 Q148 A154 T155P147-K151 PolarHBondContact O-N 2.96Å; P147-K151 VanDerWaalsContact O-N 3.14Å; Q148-K151 PolarHBondContact O-N 3.48Å; K151-A154 PolarHBondContact O-N 3.26Å; K151-T155 WeakPolarHBondContact O-CG2 3.38Å; K151-T155 PolarHBondContact O-N 3.31Å; K151-T155 PolarHBondContact O-OG1 3.15Å; K151-T155 VanDerWaalsContact O-OG1 3.09Å
152L80.9Confident80.2Confident51 Ų5167.9 Ų67.927%0.26736%0.356SS..Hα-helixtrans-59.8-55.4179.5-178.665.8000111Y126 Q148 L149 A154 T155 T156Y126-L152 HydrophobicContact CD1-CD2 4.17Å; Y126-L152 HydrophobicContact CD2-CD2 4.38Å; Y126-L152 HydrophobicContact CE1-CD2 3.49Å; Y126-L152 VanDerWaalsContact CE1-CD2 3.49Å; Y126-L152 HydrophobicContact CE2-CD2 3.74Å; Y126-L152 WeakPolarHBondContact OH-CD2 3.25Å; Q148-L152 WeakPolarHBondContact O-CB 3.11Å; Q148-L152 PolarHBondContact O-N 2.99Å; L149-L152 PolarHBondContact O-N 3.3Å; L152-A154 VanDerWaalsContact C-N 3.29Å; L152-A154 PolarHBondContact O-N 3.01Å; L152-T155 PolarHBondContact O-N 3.41Å; L152-T155 PolarHBondContact O-OG1 3.25Å; L152-T156 HydrophobicContact CD1-CG2 4.09Å; L152-T156 PolarHBondContact O-N 2.76Å; L152-T156 PolarHBondContact O-OG1 2.92Å
153I80.6Confident80.1Confident16 Ų1669 Ų698%0.08236%0.36CS..Hα-helixtrans-58.5-41178.9-67.2-54.5000111K119 L122 I123 Y126 L149 T155 A157K119-I153 HydrophobicContact CG-CG2 4.33Å; L122-I153 HydrophobicContact CB-CD1 4.16Å; L122-I153 HydrophobicContact CB-CG1 4.49Å; L122-I153 HydrophobicContact CB-CG2 3.95Å; L122-I153 HydrophobicContact CD1-CG2 4.06Å; I123-I153 HydrophobicContact CG1-CB 4.34Å; I123-I153 HydrophobicContact CG1-CG1 3.65Å; Y126-I153 HydrophobicContact CG-CD1 4.41Å; L149-I153 WeakPolarHBondContact O-CB 3.35Å; L149-I153 WeakPolarHBondContact O-CG1 3.47Å; L149-I153 PolarHBondContact O-N 3.26Å; I153-T155 VanDerWaalsContact C-N 3.26Å; I153-T155 PolarHBondContact O-N 3.16Å; I153-A157 HydrophobicContact CG2-CB 3.92Å; I153-A157 WeakPolarHBondContact O-CB 3.46Å; I153-A157 PolarHBondContact O-N 3.43Å
154A71.6Confident80.4Confident24 Ų2465.2 Ų65.220%0.19834%0.339CS..Hα-helixtrans-59-38.1175.200000112.5L43 E150 K151 L152 T231L43-A154 HydrophobicContact CD2-CB 4.13Å; E150-A154 VanDerWaalsContact O-CB 3.27Å; E150-A154 WeakPolarHBondContact O-CB 3.37Å; E150-A154 PolarHBondContact O-N 2.82Å; K151-A154 PolarHBondContact O-N 3.26Å; L152-A154 VanDerWaalsContact C-N 3.29Å; L152-A154 PolarHBondContact O-N 3.01Å; A154-T231 HydrophobicContact CB-CG2 3.98Å; A154-T231 WeakPolarHBondContact O-CB 3.4Å; A154-T231 WeakPolarHBondContact O-CG2 3.46Å
155T72Confident80.7Confident81 Ų8163.9 Ų63.950%0.49732%0.324SS..Hα-helixtrans-85.8-36.1-176.455.30000115K151 L152 I153 H158K151-T155 WeakPolarHBondContact O-CG2 3.38Å; K151-T155 PolarHBondContact O-N 3.31Å; K151-T155 PolarHBondContact O-OG1 3.15Å; K151-T155 VanDerWaalsContact O-OG1 3.09Å; L152-T155 PolarHBondContact O-N 3.41Å; L152-T155 PolarHBondContact O-OG1 3.25Å; I153-T155 VanDerWaalsContact C-N 3.26Å; I153-T155 PolarHBondContact O-N 3.16Å; T155-H158 PolarHBondContact O-CE1 2.85Å; T155-H158 PolarHBondContact O-ND1 3.45Å; T155-H158 VanDerWaalsContact O-ND1 3.13Å
156T78.1Confident81Confident46 Ų4662.1 Ų62.128%0.28232%0.322SS..Hα-helixtrans-117.4-12.3-168.960.50000114.3L152 H158 E159L152-T156 HydrophobicContact CD1-CG2 4.09Å; L152-T156 PolarHBondContact O-N 2.76Å; L152-T156 PolarHBondContact O-OG1 2.92Å; T156-H158 PolarHBondContact O-N 3.07Å; T156-E159 WeakPolarHBondContact O-CB 3.44Å; T156-E159 PolarHBondContact O-N 2.87Å
157A76.6Confident81.5Confident12 Ų1263.2 Ų63.210%0.09934%0.338CS..G310 helixtrans-57.8-32.8-173.400000113.3L122 I153 E159 K160 M161L122-A157 HydrophobicContact CD1-CB 3.96Å; I153-A157 HydrophobicContact CG2-CB 3.92Å; I153-A157 WeakPolarHBondContact O-CB 3.46Å; I153-A157 PolarHBondContact O-N 3.43Å; A157-E159 PolarHBondContact O-N 3.35Å; A157-K160 PolarHBondContact O-N 3.44Å; A157-M161 WeakPolarHBondContact O-CG 3.29Å
158H78.3Confident82.4Confident15 Ų1559.6 Ų59.67%0.06931%0.314CS..G310 helixtrans-57-30.2179.168.8-87.4000113.2T155 T156 K160 M161 W163 F164 Y198 L232T155-H158 PolarHBondContact O-CE1 2.85Å; T155-H158 PolarHBondContact O-ND1 3.45Å; T155-H158 VanDerWaalsContact O-ND1 3.13Å; T156-H158 PolarHBondContact O-N 3.07Å; H158-K160 VanDerWaalsContact C-N 3.27Å; H158-K160 PolarHBondContact O-N 2.84Å; H158-M161 WeakPolarHBondContact O-CB 3.49Å; H158-M161 PolarHBondContact O-N 3.02Å; H158-M161 VanDerWaalsContact O-N 3.17Å; H158-W163 HydrophobicContact CB-CH2 3.62Å; H158-W163 HydrophobicContact CB-CZ2 4.4Å; H158-W163 HydrophobicContact CB-CZ3 4.25Å; H158-F164 AromaticContact CD2-CD2 3.97Å; H158-F164 AromaticContact CD2-CE2 3.79Å; H158-F164 AromaticContact CD2-CZ 3.9Å; H158-F164 WeakPolarHBondContact O-CB 3.37Å; H158-F164 WeakPolarHBondContact O-CG 3.49Å; H158-Y198 PolarHBondContact NE2-OH 2.88Å; H158-L232 HydrophobicContact CB-CB 4.23Å; H158-L232 HydrophobicContact CB-CD1 4.22Å
159E84.6Confident83.2Confident118 Ų11856.6 Ų56.655%0.55130%0.304SS*.G310 helixtrans-66.2-29.9-178.5-62.9175.9-176.200112.8T156 A157 M161 F164T156-E159 WeakPolarHBondContact O-CB 3.44Å; T156-E159 PolarHBondContact O-N 2.87Å; A157-E159 PolarHBondContact O-N 3.35Å; E159-M161 VanDerWaalsContact C-N 3.3Å; E159-F164 HydrophobicContact CG-CE1 4.33Å
160K80.2Confident83.6Confident140 Ų14061.9 Ų61.961%0.60932%0.324SS*.G310 helixtrans-89.14.2178.8-67.7-166.5174.9-173.80113.2A157 H158A157-K160 PolarHBondContact O-N 3.44Å; H158-K160 VanDerWaalsContact C-N 3.27Å; H158-K160 PolarHBondContact O-N 2.84Å
161M81.8Confident84.2Confident22 Ų2265.3 Ų65.311%0.10834%0.34CS..SBendtrans-93.9140-169.9-65-69.2124.600111.3L122 A157 H158 E159 W163 F164 W233L122-M161 HydrophobicContact CD1-CE 4.41Å; L122-M161 HydrophobicContact CD2-CE 3.53Å; A157-M161 WeakPolarHBondContact O-CG 3.29Å; H158-M161 WeakPolarHBondContact O-CB 3.49Å; H158-M161 PolarHBondContact O-N 3.02Å; H158-M161 VanDerWaalsContact O-N 3.17Å; E159-M161 VanDerWaalsContact C-N 3.3Å; M161-W163 HydrophobicContact CB-CD2 3.97Å; M161-W163 VanDerWaalsContact CB-CE2 3.48Å; M161-W163 HydrophobicContact CB-CG 4.35Å; M161-W163 HydrophobicContact CB-CH2 4.5Å; M161-W163 HydrophobicContact CB-CZ2 3.83Å; M161-W163 HydrophobicContact CG-CZ2 4.13Å; M161-W163 PolarHBondContact O-N 2.98Å; M161-F164 PolarHBondContact O-N 3.31Å; M161-W233 HydrophobicContact CB-CZ3 3.86Å; M161-W233 HydrophobicContact CG-CE3 3.71Å; M161-W233 HydrophobicContact CG-CH2 4.34Å; M161-W233 HydrophobicContact CG-CZ3 3.25Å; M161-W233 HydrophobicContact SD-CE3 3.95Å; M161-W233 HydrophobicContact SD-CH2 3.71Å; M161-W233 HydrophobicContact SD-CZ3 3.13Å; M161-W233 WeakPolarHBondContact SD-CZ3 3.21Å
162P84.4Confident85.1Confident116 Ų11660.6 Ų60.675%0.75333%0.326SS*.THydrogen-bonded Turntrans-64.4-18.9-171.425.6-35.5000113.5
163W87.3Confident85.6Confident26 Ų2658.1 Ų58.110%0.09831%0.314CS..THydrogen-bonded Turntrans-88.5-7.9177.351.5-107.6000113.5H158 M161 F187 L188 I189 L232 W233 L236H158-W163 HydrophobicContact CB-CH2 3.62Å; H158-W163 HydrophobicContact CB-CZ2 4.4Å; H158-W163 HydrophobicContact CB-CZ3 4.25Å; M161-W163 HydrophobicContact CB-CD2 3.97Å; M161-W163 VanDerWaalsContact CB-CE2 3.48Å; M161-W163 HydrophobicContact CB-CG 4.35Å; M161-W163 HydrophobicContact CB-CH2 4.5Å; M161-W163 HydrophobicContact CB-CZ2 3.83Å; M161-W163 HydrophobicContact CG-CZ2 4.13Å; M161-W163 PolarHBondContact O-N 2.98Å; W163-F187 HydrophobicContact CB-CD2 4.4Å; W163-F187 HydrophobicContact CB-CE2 3.64Å; W163-F187 HydrophobicContact CB-CZ 4.15Å; W163-F187 AromaticContact CG-CE2 3.97Å; W163-F187 HydrophobicContact CG-CE2 3.97Å; W163-F187 HydrophobicContact CG-CZ 4.37Å; W163-L188 CarbonylContact O-C 3.57Å; W163-L188 WeakPolarHBondContact O-CA 3.44Å; W163-I189 HydrophobicContact CE3-CB 3.95Å; W163-I189 HydrophobicContact CE3-CD1 4.07Å; W163-I189 HydrophobicContact CE3-CG1 4.09Å; W163-I189 HydrophobicContact CH2-CD1 4.47Å; W163-I189 HydrophobicContact CZ3-CB 3.96Å; W163-I189 HydrophobicContact CZ3-CD1 3.74Å; W163-I189 HydrophobicContact CZ3-CG1 4.15Å; W163-I189 PolarHBondContact O-N 3.31Å; W163-L232 HydrophobicContact CH2-CB 4.06Å; W163-L232 HydrophobicContact CZ3-CB 4.45Å; W163-W233 AromaticContact CE2-CE3 3.9Å; W163-W233 AromaticContact CE2-CZ3 3.5Å; W163-W233 HydrophobicContact CH2-CE3 4.38Å; W163-W233 HydrophobicContact CZ2-CD2 4.18Å; W163-W233 AromaticContact CZ2-CE3 3.3Å; W163-W233 HydrophobicContact CZ2-CE3 3.3Å; W163-W233 AromaticContact CZ2-CZ3 3.44Å; W163-W233 HydrophobicContact CZ2-CZ3 3.44Å; W163-W233 VanDerWaalsContact CZ2-CZ3 3.44Å; W163-W233 AromaticContact NE1-CE3 3.89Å; W163-W233 AromaticContact NE1-CH2 3.49Å; W163-W233 AromaticContact NE1-CZ3 3.06Å; W163-L236 HydrophobicContact CD2-CD1 3.32Å; W163-L236 HydrophobicContact CE3-CD1 3.53Å; W163-L236 HydrophobicContact CG-CD1 3.93Å; W163-L236 HydrophobicContact CH2-CD1 3.6Å; W163-L236 HydrophobicContact CZ2-CD1 3.35Å; W163-L236 HydrophobicContact CZ3-CD1 3.7Å
164F91.3Very high86.1Confident26 Ų2660.4 Ų60.411%0.11432%0.324CS..BIsolated β-bridgetrans-97.9122.9178.9-175.3-104.3000110.5H158 E159 M161 I189 Q191 Y198 L232H158-F164 AromaticContact CD2-CD2 3.97Å; H158-F164 AromaticContact CD2-CE2 3.79Å; H158-F164 AromaticContact CD2-CZ 3.9Å; H158-F164 WeakPolarHBondContact O-CB 3.37Å; H158-F164 WeakPolarHBondContact O-CG 3.49Å; E159-F164 HydrophobicContact CG-CE1 4.33Å; M161-F164 PolarHBondContact O-N 3.31Å; F164-I189 WeakPolarHBondContact CA-O 3.37Å; F164-I189 HydrophobicContact CD2-CB 4.28Å; F164-I189 HydrophobicContact CD2-CG2 4.01Å; F164-I189 HydrophobicContact CE2-CG2 4.27Å; F164-Q191 HydrophobicContact CZ-CB 4.25Å; F164-Y198 AromaticContact CE2-CD1 3.94Å; F164-Y198 HydrophobicContact CE2-CD1 3.94Å; F164-Y198 AromaticContact CE2-CE1 3.9Å; F164-Y198 HydrophobicContact CE2-CE1 3.9Å; F164-Y198 HydrophobicContact CZ-CE1 4.2Å; F164-L232 HydrophobicContact CD2-CD1 4.44Å; F164-L232 HydrophobicContact CE2-CD1 4.26Å
165H91.9Very high87Confident53 Ų5361.7 Ų61.725%0.24533%0.33CS..  trans-112.215.3-170.3-73.6-149.3000112.9I168 R176 I189H165-I168 HydrophobicContact CB-CD1 3.57Å; H165-I168 HydrophobicContact CB-CG1 3.93Å; H165-I168 WeakPolarHBondContact O-CG2 3.15Å; H165-R176 WeakPolarHBondContact ND1-CD 3.4Å; H165-R176 PolarHBondContact ND1-NH1 3.49Å; H165-R176 VanDerWaalsContact ND1-NH1 3.16Å; H165-I189 PolarHBondContact N-O 2.97Å
166G91.4Very high87.9Confident21 Ų2163.9 Ų63.922%0.21633%0.329CS..THydrogen-bonded Turntrans61.3-144.2179.300000112.9I168 R190 Q191G166-I168 VanDerWaalsContact C-N 3.26Å; G166-I168 PolarHBondContact O-N 3.46Å; G166-I168 VanDerWaalsContact O-N 3.14Å; G166-R190 CarbonylContact O-C 3.6Å; G166-R190 WeakPolarHBondContact O-CA 3.47Å; G166-R190 WeakPolarHBondContact O-CB 3.04Å; G166-Q191 PolarHBondContact O-N 2.98Å
167T92.8Very high88.3Confident113 Ų11361.9 Ų61.969%0.69332%0.317SS*.THydrogen-bonded Turntrans-84.731.3-170.151.50000114.8Q191T167-Q191 HydrophobicContact CG2-CB 4.16Å; T167-Q191 HydrophobicContact CG2-CG 4.33Å
168I94.1Very high88.8Confident24 Ų2464.7 Ų64.712%0.12333%0.328CS..  trans-64.8148.2176.759.8164.7000112H165 G166 L188 R190H165-I168 HydrophobicContact CB-CD1 3.57Å; H165-I168 HydrophobicContact CB-CG1 3.93Å; H165-I168 WeakPolarHBondContact O-CG2 3.15Å; G166-I168 VanDerWaalsContact C-N 3.26Å; G166-I168 PolarHBondContact O-N 3.46Å; G166-I168 VanDerWaalsContact O-N 3.14Å; I168-L188 HydrophobicContact CD1-CD1 4.07Å; I168-L188 HydrophobicContact CD1-CD2 4.49Å; I168-R190 HydrophobicContact CD1-CB 4.24Å; I168-R190 HydrophobicContact CG1-CB 3.55Å; I168-R190 HydrophobicContact CG1-CG 4.39Å; I168-R190 WeakPolarHBondContact O-CD 3.32Å; I168-R190 PolarHBondContact O-NH1 3.49Å; I168-R190 VanDerWaalsContact O-NH1 3.15Å
169T93.2Very high89Confident67 Ų6769.5 Ų69.541%0.41135%0.354SS..  trans-73.2168.8177.377.20000111.8E171 S172 S173T169-E171 VanDerWaalsContact C-N 3.34Å; T169-E171 WeakPolarHBondContact CB-OE2 3.3Å; T169-E171 PolarHBondContact OG1-OE2 2.71Å; T169-S172 PolarHBondContact O-N 3.22Å; T169-S172 WeakPolarHBondContact OG1-CB 3.4Å; T169-S172 PolarHBondContact OG1-N 2.97Å; T169-S172 VanDerWaalsContact OG1-N 3.12Å; T169-S172 PolarHBondContact OG1-OG 3.01Å; T169-S173 PolarHBondContact O-N 3.2Å; T169-S173 VanDerWaalsContact O-N 3.16Å
170R92.1Very high88.7Confident118 Ų11867.1 Ų67.145%0.44536%0.362SS..Hα-helixtrans-61.7-47.1175.9-175.5-178.4178.3132.5-2.2110.3S172 S173 E174 H210R170-S172 VanDerWaalsContact C-N 3.28Å; R170-S172 PolarHBondContact O-N 3.49Å; R170-S173 WeakPolarHBondContact O-CB 3.47Å; R170-S173 PolarHBondContact O-N 3.15Å; R170-S173 PolarHBondContact O-OG 3.07Å; R170-E174 IonicContact NE-OE1 3.91Å; R170-E174 PolarHBondContact O-N 3.15Å; R170-H210 VanDerWaalsContact CZ-CD2 3.41Å; R170-H210 PolarHBondContact NE-CD2 3.5Å; R170-H210 PolarHBondContact NH2-CD2 3.15Å
171E92.1Very high88.6Confident126 Ų12664.5 Ų64.559%0.58936%0.361SS*.Hα-helixtrans-65.7-33.1-177.5-5369.4-145.100110.8T169 S173 P175T169-E171 VanDerWaalsContact C-N 3.34Å; T169-E171 WeakPolarHBondContact CB-OE2 3.3Å; T169-E171 PolarHBondContact OG1-OE2 2.71Å; E171-S173 VanDerWaalsContact C-N 3.34Å; E171-P175 WeakPolarHBondContact O-CD 3.17Å
172S92.2Very high88.6Confident57 Ų5771.8 Ų71.840%0.39939%0.387SS..Hα-helixtrans-77-19.6175-67.50000113.5T169 R170T169-S172 PolarHBondContact O-N 3.22Å; T169-S172 WeakPolarHBondContact OG1-CB 3.4Å; T169-S172 PolarHBondContact OG1-N 2.97Å; T169-S172 VanDerWaalsContact OG1-N 3.12Å; T169-S172 PolarHBondContact OG1-OG 3.01Å; R170-S172 VanDerWaalsContact C-N 3.28Å; R170-S172 PolarHBondContact O-N 3.49Å
173S91.4Very high88.6Confident0 Ų070.3 Ų70.30%038%0.376CS..Hα-helixtrans-81.5-35.3-179.867.50000113.3T169 R170 E171 R176 L177 H210T169-S173 PolarHBondContact O-N 3.2Å; T169-S173 VanDerWaalsContact O-N 3.16Å; R170-S173 WeakPolarHBondContact O-CB 3.47Å; R170-S173 PolarHBondContact O-N 3.15Å; R170-S173 PolarHBondContact O-OG 3.07Å; E171-S173 VanDerWaalsContact C-N 3.34Å; S173-R176 PolarHBondContact O-N 3.44Å; S173-L177 PolarHBondContact O-N 2.9Å; S173-H210 PolarHBondContact OG-CE1 3.25Å
174E90.7Very high88.5Confident64 Ų6473.3 Ų73.330%0.29939%0.394SS..Hα-helixtrans-57.6-52.5179.1-67.1175.3-168.600113.3R170 R176 L177 Q178 V208 H210R170-E174 IonicContact NE-OE1 3.91Å; R170-E174 PolarHBondContact O-N 3.15Å; E174-R176 VanDerWaalsContact C-N 3.27Å; E174-R176 PolarHBondContact O-N 3.4Å; E174-L177 PolarHBondContact O-N 3.24Å; E174-L177 VanDerWaalsContact O-N 3.08Å; E174-Q178 WeakPolarHBondContact O-CG 3.11Å; E174-Q178 PolarHBondContact O-N 3.23Å; E174-V208 HydrophobicContact CB-CG2 4.41Å; E174-V208 HydrophobicContact CG-CB 4.13Å; E174-V208 HydrophobicContact CG-CG1 4.15Å; E174-V208 HydrophobicContact CG-CG2 4.36Å; E174-H210 IonicContact OE1-NE2 2.81Å; E174-H210 PolarHBondContact OE1-NE2 3.31Å
175P91.1Very high88.1Confident51 Ų5174 Ų7433%0.33141%0.409SS..Hα-helixtrans-65.6-29.4-179.725.5-34.5000112.1E171 L177 Q178 N179E171-P175 WeakPolarHBondContact O-CD 3.17Å; P175-L177 VanDerWaalsContact C-N 3.28Å; P175-L177 PolarHBondContact O-N 2.78Å; P175-Q178 PolarHBondContact O-N 3.26Å; P175-N179 WeakPolarHBondContact O-CB 3.48Å; P175-N179 PolarHBondContact O-N 2.91Å; P175-N179 PolarHBondContact O-ND2 3.2Å; P175-N179 PolarHBondContact O-OD1 3.09Å
176R90.4Very high88Confident127 Ų12774.5 Ų74.548%0.47941%0.41SS..Hα-helixtrans-65.5-33.3175.2-68-172.7-175.6-159.83.3112.4H165 S173 E174 K186 L188H165-R176 WeakPolarHBondContact ND1-CD 3.4Å; H165-R176 PolarHBondContact ND1-NH1 3.49Å; H165-R176 VanDerWaalsContact ND1-NH1 3.16Å; S173-R176 PolarHBondContact O-N 3.44Å; E174-R176 VanDerWaalsContact C-N 3.27Å; E174-R176 PolarHBondContact O-N 3.4Å; R176-K186 PolarHBondContact O-NZ 3Å; R176-L188 HydrophobicContact CB-CD2 4.08Å
177L87.6Confident88Confident3 Ų376.8 Ų76.82%0.01641%0.414CS..Hα-helixtrans-80.2-39.3175.9-69.4174.1000111.6S173 E174 P175 K186 L188 C201 V208S173-L177 PolarHBondContact O-N 2.9Å; E174-L177 PolarHBondContact O-N 3.24Å; E174-L177 VanDerWaalsContact O-N 3.08Å; P175-L177 VanDerWaalsContact C-N 3.28Å; P175-L177 PolarHBondContact O-N 2.78Å; L177-K186 HydrophobicContact CD2-CD 4.28Å; L177-K186 HydrophobicContact CD2-CG 3.86Å; L177-K186 WeakPolarHBondContact O-CD 3.21Å; L177-K186 WeakPolarHBondContact O-CE 3.34Å; L177-K186 PolarHBondContact O-NZ 2.92Å; L177-L188 HydrophobicContact CD1-CD2 4.28Å; L177-L188 HydrophobicContact CD1-CG 4.28Å; L177-L188 HydrophobicContact CD2-CD2 3.96Å; L177-L188 HydrophobicContact CD2-CG 4.16Å; L177-L188 HydrophobicContact CG-CD2 3.79Å; L177-L188 HydrophobicContact CG-CG 4.23Å; L177-C201 HydrophobicContact CD1-CB 3.61Å; L177-V208 HydrophobicContact CB-CG2 4.17Å; L177-V208 HydrophobicContact CD1-CG1 3.61Å; L177-V208 HydrophobicContact CD1-CG2 4.34Å
178Q86.3Confident88Confident72 Ų7271.5 Ų71.534%0.33638%0.382SS..Hα-helixtrans-78-25.6-178.2-68.7175.1-2000114E174 P175 L203 V208E174-Q178 WeakPolarHBondContact O-CG 3.11Å; E174-Q178 PolarHBondContact O-N 3.23Å; P175-Q178 PolarHBondContact O-N 3.26Å; Q178-L203 HydrophobicContact CG-CD1 4.47Å; Q178-V208 HydrophobicContact CG-CG2 4.03Å
179N82.3Confident88Confident115 Ų11570.4 Ų70.462%0.61538%0.376SS*.SBendtrans-76131.6175.4-71.6-9.8000110.7P175 K186P175-N179 WeakPolarHBondContact O-CB 3.48Å; P175-N179 PolarHBondContact O-N 2.91Å; P175-N179 PolarHBondContact O-ND2 3.2Å; P175-N179 PolarHBondContact O-OD1 3.09Å; N179-K186 PolarHBondContact O-NZ 3.48Å
180G77.7Confident88Confident69 Ų6968.3 Ų68.371%0.71136%0.361SS*.SBendtrans85.7-148.4-177.400000113.3R182G180-R182 PolarHBondContact O-N 2.92Å
181S79.3Confident88Confident85 Ų8565 Ų6559%0.59435%0.35SS*.  trans-64.3121.6-178.3-170.20000111.6T183S181-T183 PolarHBondContact O-N 3.42Å; S181-T183 VanDerWaalsContact O-N 3.12Å; S181-T183 PolarHBondContact OG-OG1 2.97Å
182R81.3Confident88Confident175 Ų17564.6 Ų64.666%0.6634%0.343SS*.  trans-86.750.5177.2-64.7-175.9179.8178.7-0.6111.7G180 L203G180-R182 PolarHBondContact O-N 2.92Å; R182-L203 HydrophobicContact CB-CD2 4.13Å
183T84.2Confident87.6Confident84 Ų8464.9 Ų64.952%0.51534%0.34SS..  trans-74.2128.7-179.7-45.40000109.5S181 G185 K186S181-T183 PolarHBondContact O-N 3.42Å; S181-T183 VanDerWaalsContact O-N 3.12Å; S181-T183 PolarHBondContact OG-OG1 2.97Å; T183-G185 PolarHBondContact O-N 2.93Å; T183-K186 WeakPolarHBondContact O-CB 3.36Å; T183-K186 PolarHBondContact O-N 2.87Å; T183-K186 VanDerWaalsContact O-N 3.09Å
184N85.5Confident86.9Confident90 Ų9073.7 Ų73.748%0.48138%0.381SS..THydrogen-bonded Turntrans-54.7134.1170.6-82.3-15.8000109.9E205N184-E205 PolarHBondContact OD1-N 3.01Å
185G83.8Confident86.4Confident41 Ų4177.3 Ų77.342%0.42340%0.403SS..THydrogen-bonded Turntrans90.4-1.8-176.800000114.6T183 F187 L203T183-G185 PolarHBondContact O-N 2.93Å; G185-F187 WeakPolarHBondContact O-CD1 3.42Å; G185-F187 PolarHBondContact O-N 3.49Å; G185-L203 PolarHBondContact N-O 2.98Å
186K88.4Confident85.9Confident63 Ų6375.1 Ų75.127%0.27439%0.39SS..  trans-62.3128.2170.2-173.7-177.3177.4-173.70109.2R176 L177 N179 T183 L203R176-K186 PolarHBondContact O-NZ 3Å; L177-K186 HydrophobicContact CD2-CD 4.28Å; L177-K186 HydrophobicContact CD2-CG 3.86Å; L177-K186 WeakPolarHBondContact O-CD 3.21Å; L177-K186 WeakPolarHBondContact O-CE 3.34Å; L177-K186 PolarHBondContact O-NZ 2.92Å; N179-K186 PolarHBondContact O-NZ 3.48Å; T183-K186 WeakPolarHBondContact O-CB 3.36Å; T183-K186 PolarHBondContact O-N 2.87Å; T183-K186 VanDerWaalsContact O-N 3.09Å; K186-L203 HydrophobicContact CB-CB 4.13Å; K186-L203 HydrophobicContact CB-CD2 4.35Å; K186-L203 HydrophobicContact CD-CD2 4.47Å; K186-L203 WeakPolarHBondContact O-CB 3.26Å; K186-L203 PolarHBondContact O-N 2.94Å
187F91.9Very high85.8Confident69 Ų6969.3 Ų69.330%0.30337%0.368SS..EExtended strand (participates in β ladder)trans-141.7162.8-17474.1-87.3000112.5W163 G185 L200 C201 L202 L236W163-F187 HydrophobicContact CB-CD2 4.4Å; W163-F187 HydrophobicContact CB-CE2 3.64Å; W163-F187 HydrophobicContact CB-CZ 4.15Å; W163-F187 AromaticContact CG-CE2 3.97Å; W163-F187 HydrophobicContact CG-CE2 3.97Å; W163-F187 HydrophobicContact CG-CZ 4.37Å; G185-F187 WeakPolarHBondContact O-CD1 3.42Å; G185-F187 PolarHBondContact O-N 3.49Å; F187-L200 HydrophobicContact CB-CD1 4.12Å; F187-L200 HydrophobicContact CD2-CD1 3.93Å; F187-L200 HydrophobicContact CG-CD1 4.35Å; F187-C201 CarbonylContact C-O 3.48Å; F187-C201 WeakPolarHBondContact CA-O 3.3Å; F187-C201 WeakPolarHBondContact CB-O 3.27Å; F187-L202 HydrophobicContact CB-CD1 3.89Å; F187-L236 HydrophobicContact CD2-CD2 3.74Å; F187-L236 HydrophobicContact CE2-CD1 3.67Å; F187-L236 HydrophobicContact CE2-CD2 3.33Å; F187-L236 HydrophobicContact CE2-CG 4.12Å; F187-L236 HydrophobicContact CZ-CD1 4.2Å; F187-L236 HydrophobicContact CZ-CD2 3.95Å
188L92.5Very high86.1Confident2 Ų269.9 Ų69.91%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-147158.4165.464.383.6000109.6W163 I168 R176 L177 R190 C201W163-L188 CarbonylContact O-C 3.57Å; W163-L188 WeakPolarHBondContact O-CA 3.44Å; I168-L188 HydrophobicContact CD1-CD1 4.07Å; I168-L188 HydrophobicContact CD1-CD2 4.49Å; R176-L188 HydrophobicContact CB-CD2 4.08Å; L177-L188 HydrophobicContact CD1-CD2 4.28Å; L177-L188 HydrophobicContact CD1-CG 4.28Å; L177-L188 HydrophobicContact CD2-CD2 3.96Å; L177-L188 HydrophobicContact CD2-CG 4.16Å; L177-L188 HydrophobicContact CG-CD2 3.79Å; L177-L188 HydrophobicContact CG-CG 4.23Å; L188-R190 HydrophobicContact CD1-CB 4.35Å; L188-C201 HydrophobicContact CD1-CB 3.88Å; L188-C201 HydrophobicContact CG-CB 4.05Å; L188-C201 PolarHBondContact N-O 2.96Å; L188-C201 PolarHBondContact O-N 3.11Å
189I93.3Very high86.4Confident0 Ų066.6 Ų66.60%036%0.356CS..EExtended strand (participates in β ladder)trans-113.7136.3169.8-63.3-174.4000108.8W163 F164 H165 Y198 A199 L200 I213 L232 L236W163-I189 HydrophobicContact CE3-CB 3.95Å; W163-I189 HydrophobicContact CE3-CD1 4.07Å; W163-I189 HydrophobicContact CE3-CG1 4.09Å; W163-I189 HydrophobicContact CH2-CD1 4.47Å; W163-I189 HydrophobicContact CZ3-CB 3.96Å; W163-I189 HydrophobicContact CZ3-CD1 3.74Å; W163-I189 HydrophobicContact CZ3-CG1 4.15Å; W163-I189 PolarHBondContact O-N 3.31Å; F164-I189 WeakPolarHBondContact CA-O 3.37Å; F164-I189 HydrophobicContact CD2-CB 4.28Å; F164-I189 HydrophobicContact CD2-CG2 4.01Å; F164-I189 HydrophobicContact CE2-CG2 4.27Å; H165-I189 PolarHBondContact N-O 2.97Å; I189-Y198 HydrophobicContact CG2-CD1 4.43Å; I189-A199 WeakPolarHBondContact CA-O 3.39Å; I189-L200 HydrophobicContact CD1-CD1 4.35Å; I189-L200 HydrophobicContact CG1-CB 4.43Å; I189-L200 HydrophobicContact CG1-CD1 3.84Å; I189-I213 HydrophobicContact CD1-CD1 4.32Å; I189-L232 HydrophobicContact CD1-CD2 4.34Å; I189-L232 HydrophobicContact CG2-CD1 4.14Å; I189-L232 HydrophobicContact CG2-CD2 4.36Å; I189-L236 HydrophobicContact CD1-CD1 3.82Å; I189-L236 HydrophobicContact CD1-CD2 3.78Å; I189-L236 HydrophobicContact CD1-CG 3.75Å; I189-L236 HydrophobicContact CG1-CD2 4.37Å
190R93.4Very high86.9Confident24 Ų2461.7 Ų61.79%0.09133%0.329CS..EExtended strand (participates in β ladder)trans-125.8150.6173.865.7-172.9-169.977.33.6110.8G166 I168 L188 Y198 A199G166-R190 CarbonylContact O-C 3.6Å; G166-R190 WeakPolarHBondContact O-CA 3.47Å; G166-R190 WeakPolarHBondContact O-CB 3.04Å; I168-R190 HydrophobicContact CD1-CB 4.24Å; I168-R190 HydrophobicContact CG1-CB 3.55Å; I168-R190 HydrophobicContact CG1-CG 4.39Å; I168-R190 WeakPolarHBondContact O-CD 3.32Å; I168-R190 PolarHBondContact O-NH1 3.49Å; I168-R190 VanDerWaalsContact O-NH1 3.15Å; L188-R190 HydrophobicContact CD1-CB 4.35Å; R190-Y198 CarbonylContact O-C 3.5Å; R190-Y198 VanDerWaalsContact O-CA 3.27Å; R190-Y198 WeakPolarHBondContact O-CA 3.49Å; R190-Y198 WeakPolarHBondContact O-CB 3.36Å; R190-A199 HydrophobicContact CG-CB 3.87Å; R190-A199 PolarHBondContact N-O 3.45Å; R190-A199 PolarHBondContact O-N 3.43Å
191Q93.4Very high87.6Confident49 Ų4958.4 Ų58.423%0.22930%0.295CS..EExtended strand (participates in β ladder)trans-80134.3172.2-173.7172.70.900109.6F164 G166 T167 D193 Y198F164-Q191 HydrophobicContact CZ-CB 4.25Å; G166-Q191 PolarHBondContact O-N 2.98Å; T167-Q191 HydrophobicContact CG2-CB 4.16Å; T167-Q191 HydrophobicContact CG2-CG 4.33Å; Q191-D193 WeakPolarHBondContact CG-O 3.42Å; Q191-D193 PolarHBondContact NE2-O 3.07Å; Q191-Y198 HydrophobicContact CB-CD1 4.11Å; Q191-Y198 HydrophobicContact CB-CE1 4.26Å; Q191-Y198 HydrophobicContact CG-CD1 4.34Å; Q191-Y198 HydrophobicContact CG-CE1 4.22Å
192R91.5Very high88.2Confident117 Ų11756.3 Ų56.344%0.44228%0.277SS..  trans-96.8-38.4179.4-68.1179.666.1-125.1-1.4112S197 Y198 A199 D214R192-S197 PolarHBondContact N-O 3.1Å; R192-S197 PolarHBondContact NH1-OG 2.98Å; R192-Y198 VanDerWaalsContact CD-O 3.31Å; R192-Y198 WeakPolarHBondContact CD-O 3.46Å; R192-A199 HydrophobicContact CG-CB 3.93Å; R192-D214 IonicContact NH1-OD1 3.5Å
193D84.7Confident88.7Confident62 Ų6248 Ų4833%0.33225%0.246SC..  trans-147.9174.2-179.560.240.1000111.8Q191 N195 G196 S197Q191-D193 WeakPolarHBondContact CG-O 3.42Å; Q191-D193 PolarHBondContact NE2-O 3.07Å; D193-N195 PolarHBondContact O-N 3.32Å; D193-N195 WeakPolarHBondContact OD1-CA 3.25Å; D193-N195 WeakPolarHBondContact OD1-CB 3.36Å; D193-N195 PolarHBondContact OD1-N 3.46Å; D193-G196 PolarHBondContact OD1-N 3.4Å; D193-S197 VanDerWaalsContact CG-CB 3.44Å; D193-S197 WeakPolarHBondContact OD1-CB 3.17Å; D193-S197 PolarHBondContact OD1-N 3.3Å; D193-S197 WeakPolarHBondContact OD2-CB 3.27Å
194Q76.7Confident88.9Confident186 Ų18648.4 Ų48.487%0.86924%0.242SC*.THydrogen-bonded Turntrans-77.4-8.4176.4-62.5-179.513.200112.8G196Q194-G196 VanDerWaalsContact C-N 3.27Å; Q194-G196 PolarHBondContact O-N 3.49Å
195N78.6Confident89Confident140 Ų14051.4 Ų51.475%0.74925%0.253SS*.THydrogen-bonded Turntrans-899.2-176.5-65.3-12.4000112.8D193D193-N195 PolarHBondContact O-N 3.32Å; D193-N195 WeakPolarHBondContact OD1-CA 3.25Å; D193-N195 WeakPolarHBondContact OD1-CB 3.36Å; D193-N195 PolarHBondContact OD1-N 3.46Å
196G80.4Confident89.1Confident5 Ų551.1 Ų51.15%0.05225%0.25CS..SBendtrans81.825.2179.500000113.9D193 Q194 Y198D193-G196 PolarHBondContact OD1-N 3.4Å; Q194-G196 VanDerWaalsContact C-N 3.27Å; Q194-G196 PolarHBondContact O-N 3.49Å; G196-Y198 VanDerWaalsContact O-CD2 3.27Å; G196-Y198 WeakPolarHBondContact O-CD2 3.05Å; G196-Y198 WeakPolarHBondContact O-CE2 3.49Å
197S89.8Confident89.1Confident5 Ų554.6 Ų54.64%0.03527%0.268CS..  trans-87.1137.8164.5-169.50000110.8R192 D193 I213 D214R192-S197 PolarHBondContact N-O 3.1Å; R192-S197 PolarHBondContact NH1-OG 2.98Å; D193-S197 VanDerWaalsContact CG-CB 3.44Å; D193-S197 WeakPolarHBondContact OD1-CB 3.17Å; D193-S197 PolarHBondContact OD1-N 3.3Å; D193-S197 WeakPolarHBondContact OD2-CB 3.27Å; S197-I213 WeakPolarHBondContact CA-O 3.31Å; S197-I213 PolarHBondContact OG-O 3.32Å; S197-D214 PolarHBondContact OG-OD1 3Å
198Y93.1Very high89.1Confident15 Ų1552.3 Ų52.36%0.05926%0.259CS..EExtended strand (participates in β ladder)trans-129.5165.9-179.3-53.7-90.1000111H158 F164 I189 R190 Q191 R192 G196 I213 L221 L232H158-Y198 PolarHBondContact NE2-OH 2.88Å; F164-Y198 AromaticContact CE2-CD1 3.94Å; F164-Y198 HydrophobicContact CE2-CD1 3.94Å; F164-Y198 AromaticContact CE2-CE1 3.9Å; F164-Y198 HydrophobicContact CE2-CE1 3.9Å; F164-Y198 HydrophobicContact CZ-CE1 4.2Å; I189-Y198 HydrophobicContact CG2-CD1 4.43Å; R190-Y198 CarbonylContact O-C 3.5Å; R190-Y198 VanDerWaalsContact O-CA 3.27Å; R190-Y198 WeakPolarHBondContact O-CA 3.49Å; R190-Y198 WeakPolarHBondContact O-CB 3.36Å; Q191-Y198 HydrophobicContact CB-CD1 4.11Å; Q191-Y198 HydrophobicContact CB-CE1 4.26Å; Q191-Y198 HydrophobicContact CG-CD1 4.34Å; Q191-Y198 HydrophobicContact CG-CE1 4.22Å; R192-Y198 VanDerWaalsContact CD-O 3.31Å; R192-Y198 WeakPolarHBondContact CD-O 3.46Å; G196-Y198 VanDerWaalsContact O-CD2 3.27Å; G196-Y198 WeakPolarHBondContact O-CD2 3.05Å; G196-Y198 WeakPolarHBondContact O-CE2 3.49Å; Y198-I213 PolarHBondContact N-O 3.43Å; Y198-I213 PolarHBondContact O-N 3.34Å; Y198-L221 HydrophobicContact CD2-CD2 4.08Å; Y198-L221 HydrophobicContact CE2-CD2 3.97Å; Y198-L232 HydrophobicContact CD1-CD1 3.66Å; Y198-L232 HydrophobicContact CD1-CD2 4.49Å; Y198-L232 HydrophobicContact CD2-CD1 4.07Å; Y198-L232 HydrophobicContact CD2-CD2 3.77Å; Y198-L232 HydrophobicContact CD2-CG 4.21Å; Y198-L232 HydrophobicContact CE1-CD1 3.59Å; Y198-L232 HydrophobicContact CE2-CD1 4.01Å; Y198-L232 HydrophobicContact CE2-CD2 4.27Å; Y198-L232 HydrophobicContact CE2-CG 4.23Å; Y198-L232 HydrophobicContact CG-CD1 3.89Å; Y198-L232 HydrophobicContact CG-CD2 3.88Å; Y198-L232 HydrophobicContact CG-CG 4.39Å
199A93.3Very high89Confident3 Ų356 Ų563%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-128.4125.1170.100000110.1I189 R190 R192 Y211I189-A199 WeakPolarHBondContact CA-O 3.39Å; R190-A199 HydrophobicContact CG-CB 3.87Å; R190-A199 PolarHBondContact N-O 3.45Å; R190-A199 PolarHBondContact O-N 3.43Å; R192-A199 HydrophobicContact CG-CB 3.93Å; A199-Y211 CarbonylContact C-O 3.53Å; A199-Y211 VanDerWaalsContact CA-O 3.31Å; A199-Y211 WeakPolarHBondContact CA-O 3.45Å
200L92.5Very high89Confident12 Ų1257.7 Ų57.76%0.06329%0.285CS..EExtended strand (participates in β ladder)trans-84.7117.1165.2171.167.2000108.3F187 I189 Y211 I213 I223 L236F187-L200 HydrophobicContact CB-CD1 4.12Å; F187-L200 HydrophobicContact CD2-CD1 3.93Å; F187-L200 HydrophobicContact CG-CD1 4.35Å; I189-L200 HydrophobicContact CD1-CD1 4.35Å; I189-L200 HydrophobicContact CG1-CB 4.43Å; I189-L200 HydrophobicContact CG1-CD1 3.84Å; L200-Y211 HydrophobicContact CD2-CD2 4.36Å; L200-Y211 HydrophobicContact CG-CD2 4.46Å; L200-Y211 PolarHBondContact N-O 3.41Å; L200-Y211 PolarHBondContact O-N 3.27Å; L200-I213 HydrophobicContact CB-CD1 3.9Å; L200-I223 HydrophobicContact CD2-CD1 4.09Å; L200-L236 HydrophobicContact CD1-CD2 4.04Å
201C92.9Very high88.9Confident0 Ų060.4 Ų60.40%030%0.296CS..EExtended strand (participates in β ladder)trans-103.9120.4176.7-50.10000107.5L177 F187 L188 V208 M209 H210L177-C201 HydrophobicContact CD1-CB 3.61Å; F187-C201 CarbonylContact C-O 3.48Å; F187-C201 WeakPolarHBondContact CA-O 3.3Å; F187-C201 WeakPolarHBondContact CB-O 3.27Å; L188-C201 HydrophobicContact CD1-CB 3.88Å; L188-C201 HydrophobicContact CG-CB 4.05Å; L188-C201 PolarHBondContact N-O 2.96Å; L188-C201 PolarHBondContact O-N 3.11Å; C201-V208 HydrophobicContact CB-CG1 4.31Å; C201-M209 CarbonylContact C-O 3.56Å; C201-M209 WeakPolarHBondContact CA-O 3.49Å; C201-H210 PolarHBondContact SG-ND1 3.29Å
202L91.8Very high88.8Confident41 Ų4164.2 Ų64.222%0.21531%0.308CS..EExtended strand (participates in β ladder)trans-125.9127.9-172.5179.469.8000109.9F187 M209 Y211F187-L202 HydrophobicContact CB-CD1 3.89Å; L202-M209 PolarHBondContact N-O 2.62Å; L202-M209 PolarHBondContact O-N 2.96Å; L202-Y211 HydrophobicContact CB-CE2 4.14Å; L202-Y211 HydrophobicContact CD2-CE2 4.07Å
203L90.9Very high88.9Confident0 Ų058.7 Ų58.70%029%0.287CS..EExtended strand (participates in β ladder)trans-86121172.7-171.870.9000110Q178 R182 G185 K186 Q207 V208Q178-L203 HydrophobicContact CG-CD1 4.47Å; R182-L203 HydrophobicContact CB-CD2 4.13Å; G185-L203 PolarHBondContact N-O 2.98Å; K186-L203 HydrophobicContact CB-CB 4.13Å; K186-L203 HydrophobicContact CB-CD2 4.35Å; K186-L203 HydrophobicContact CD-CD2 4.47Å; K186-L203 WeakPolarHBondContact O-CB 3.26Å; K186-L203 PolarHBondContact O-N 2.94Å; L203-Q207 WeakPolarHBondContact CA-O 3.38Å; L203-V208 HydrophobicContact CD1-CG2 3.92Å
204H89.1Confident89.1Confident93 Ų9357.9 Ų57.943%0.43128%0.283SS..EExtended strand (participates in β ladder)trans-141.7126.6175.5-17472.2000109.4G206 Q207H204-G206 PolarHBondContact O-N 2.91Å; H204-G206 VanDerWaalsContact O-N 3.14Å; H204-Q207 PolarHBondContact N-O 3.24Å; H204-Q207 PolarHBondContact O-N 3.2Å; H204-Q207 VanDerWaalsContact O-O 3.11Å
205E88Confident89.6Confident152 Ų15254.9 Ų54.971%0.7126%0.264SS*.THydrogen-bonded Turntrans5237.3-179.3-61.4-172.1158.300113.2N184 Q207N184-E205 PolarHBondContact OD1-N 3.01Å; E205-Q207 PolarHBondContact O-N 3.5Å
206G85.1Confident89.9Confident36 Ų3649.9 Ų49.937%0.37124%0.237SC..THydrogen-bonded Turntrans77.6-4.7-178.900000115H204H204-G206 PolarHBondContact O-N 2.91Å; H204-G206 VanDerWaalsContact O-N 3.14Å
207Q89.4Confident90Very high136 Ų13656 Ų5664%0.63628%0.279SS*.EExtended strand (participates in β ladder)trans-99.9145176-60.4-173.51400111.3L203 H204 E205L203-Q207 WeakPolarHBondContact CA-O 3.38Å; H204-Q207 PolarHBondContact N-O 3.24Å; H204-Q207 PolarHBondContact O-N 3.2Å; H204-Q207 VanDerWaalsContact O-O 3.11Å; E205-Q207 PolarHBondContact O-N 3.5Å
208V91.4Very high89.4Confident20 Ų2059 Ų5912%0.12130%0.297CS..EExtended strand (participates in β ladder)trans-96.9110.8176.8-176.60000109.1E174 L177 Q178 C201 L203 H210E174-V208 HydrophobicContact CB-CG2 4.41Å; E174-V208 HydrophobicContact CG-CB 4.13Å; E174-V208 HydrophobicContact CG-CG1 4.15Å; E174-V208 HydrophobicContact CG-CG2 4.36Å; L177-V208 HydrophobicContact CB-CG2 4.17Å; L177-V208 HydrophobicContact CD1-CG1 3.61Å; L177-V208 HydrophobicContact CD1-CG2 4.34Å; Q178-V208 HydrophobicContact CG-CG2 4.03Å; C201-V208 HydrophobicContact CB-CG1 4.31Å; L203-V208 HydrophobicContact CD1-CG2 3.92Å; V208-H210 WeakPolarHBondContact CG1-NE2 3.32Å; V208-H210 PolarHBondContact O-CD2 3.47Å
209M90.8Very high88.7Confident79 Ų7959.9 Ų59.939%0.38931%0.311SS..EExtended strand (participates in β ladder)trans-88.6134.6175.5-59.2-60.8-81.100109.7C201 L202 Y211C201-M209 CarbonylContact C-O 3.56Å; C201-M209 WeakPolarHBondContact CA-O 3.49Å; L202-M209 PolarHBondContact N-O 2.62Å; L202-M209 PolarHBondContact O-N 2.96Å; M209-Y211 HydrophobicContact CB-CD2 4.44Å; M209-Y211 HydrophobicContact CB-CE2 3.63Å
210H92.2Very high88.2Confident36 Ų3660.9 Ų60.917%0.16732%0.315CS..EExtended strand (participates in β ladder)trans-116.4109.9-179.9-63.5-91.7000110.7R170 S173 E174 C201 V208R170-H210 VanDerWaalsContact CZ-CD2 3.41Å; R170-H210 PolarHBondContact NE-CD2 3.5Å; R170-H210 PolarHBondContact NH2-CD2 3.15Å; S173-H210 PolarHBondContact OG-CE1 3.25Å; E174-H210 IonicContact OE1-NE2 2.81Å; E174-H210 PolarHBondContact OE1-NE2 3.31Å; C201-H210 PolarHBondContact SG-ND1 3.29Å; V208-H210 WeakPolarHBondContact CG1-NE2 3.32Å; V208-H210 PolarHBondContact O-CD2 3.47Å
211Y90.9Very high87.9Confident81 Ų8160.4 Ų60.432%0.31831%0.313SS..EExtended strand (participates in β ladder)trans-99.7124176.2-58.2-84000109.6A199 L200 L202 M209 I223A199-Y211 CarbonylContact C-O 3.53Å; A199-Y211 VanDerWaalsContact CA-O 3.31Å; A199-Y211 WeakPolarHBondContact CA-O 3.45Å; L200-Y211 HydrophobicContact CD2-CD2 4.36Å; L200-Y211 HydrophobicContact CG-CD2 4.46Å; L200-Y211 PolarHBondContact N-O 3.41Å; L200-Y211 PolarHBondContact O-N 3.27Å; L202-Y211 HydrophobicContact CB-CE2 4.14Å; L202-Y211 HydrophobicContact CD2-CE2 4.07Å; M209-Y211 HydrophobicContact CB-CD2 4.44Å; M209-Y211 HydrophobicContact CB-CE2 3.63Å; Y211-I223 HydrophobicContact CD1-CG2 4.3Å
212R92.3Very high87.6Confident130 Ų13061.6 Ų61.649%0.49132%0.321SS..EExtended strand (participates in β ladder)trans-72.2138.4173.9-167.4170.970-168.48.7109.1D214 I223 P224R212-D214 VanDerWaalsContact CD-OD2 3.27Å; R212-D214 WeakPolarHBondContact CD-OD2 3.26Å; R212-D214 WeakPolarHBondContact CG-OD1 3.4Å; R212-D214 WeakPolarHBondContact CG-OD2 3.41Å; R212-D214 IonicContact CZ-OD2 3.37Å; R212-D214 IonicContact NE-OD1 3.5Å; R212-D214 IonicContact NE-OD2 2.79Å; R212-D214 PolarHBondContact NE-OD2 2.87Å; R212-D214 IonicContact NH2-OD2 3.41Å; R212-D214 PolarHBondContact NH2-OD2 3.37Å; R212-I223 WeakPolarHBondContact O-CA 3.4Å; R212-P224 WeakPolarHBondContact O-CD 3.43Å
213I92.2Very high87.4Confident0 Ų060.4 Ų60.40%031%0.314CS..EExtended strand (participates in β ladder)trans-121.5115.2171.1-61.5166000106.5I189 S197 Y198 L200 L221 S222 I223 L232 I235I189-I213 HydrophobicContact CD1-CD1 4.32Å; S197-I213 WeakPolarHBondContact CA-O 3.31Å; S197-I213 PolarHBondContact OG-O 3.32Å; Y198-I213 PolarHBondContact N-O 3.43Å; Y198-I213 PolarHBondContact O-N 3.34Å; L200-I213 HydrophobicContact CB-CD1 3.9Å; I213-L221 HydrophobicContact CG2-CB 4Å; I213-L221 HydrophobicContact CG2-CD2 4.23Å; I213-S222 VanDerWaalsContact CA-O 3.3Å; I213-S222 WeakPolarHBondContact CA-O 3.42Å; I213-I223 HydrophobicContact CG1-CG1 3.8Å; I213-L232 HydrophobicContact CD1-CD2 3.99Å; I213-L232 HydrophobicContact CG2-CD2 4.08Å; I213-I235 HydrophobicContact CD1-CD1 4.24Å; I213-I235 HydrophobicContact CD1-CG2 4.16Å; I213-I235 HydrophobicContact CG1-CD1 4.43Å; I213-I235 HydrophobicContact CG2-CD1 3.55Å
214D90.1Very high87Confident46 Ų4663.6 Ų63.625%0.24634%0.335CS..EExtended strand (participates in β ladder)trans-114.4149.9-179.5-62-49.7000111.1R192 S197 R212 L221 S222R192-D214 IonicContact NH1-OD1 3.5Å; S197-D214 PolarHBondContact OG-OD1 3Å; R212-D214 VanDerWaalsContact CD-OD2 3.27Å; R212-D214 WeakPolarHBondContact CD-OD2 3.26Å; R212-D214 WeakPolarHBondContact CG-OD1 3.4Å; R212-D214 WeakPolarHBondContact CG-OD2 3.41Å; R212-D214 IonicContact CZ-OD2 3.37Å; R212-D214 IonicContact NE-OD1 3.5Å; R212-D214 IonicContact NE-OD2 2.79Å; R212-D214 PolarHBondContact NE-OD2 2.87Å; R212-D214 IonicContact NH2-OD2 3.41Å; R212-D214 PolarHBondContact NH2-OD2 3.37Å; D214-L221 WeakPolarHBondContact O-CA 3.25Å; D214-S222 PolarHBondContact N-O 3.49Å; D214-S222 PolarHBondContact O-N 2.93Å
215R87.7Confident86.4Confident122 Ų12267.9 Ų67.946%0.4636%0.361SS..EExtended strand (participates in β ladder)trans-90.3127171.9-172173.9-80.3164.2-0.2109.4K220 L221R215-K220 CarbonylContact C-O 3.55Å; R215-K220 VanDerWaalsContact CA-O 3.32Å; R215-K220 WeakPolarHBondContact CA-O 3.47Å; R215-L221 HydrophobicContact CB-CD2 3.85Å; R215-L221 HydrophobicContact CG-CD2 4.38Å
216D85.1Confident85.8Confident36 Ų3662 Ų6219%0.19334%0.342CS..  trans-83.8176.4175.77510000112.7T218 G219 K220 K228D216-T218 VanDerWaalsContact CG-OG1 3.25Å; D216-T218 PolarHBondContact O-N 3.32Å; D216-T218 VanDerWaalsContact O-N 3.13Å; D216-T218 VanDerWaalsContact OD1-CA 3.31Å; D216-T218 WeakPolarHBondContact OD1-CA 3.47Å; D216-T218 WeakPolarHBondContact OD1-CB 3.42Å; D216-T218 PolarHBondContact OD1-N 3.47Å; D216-T218 PolarHBondContact OD1-OG1 3.09Å; D216-T218 PolarHBondContact OD2-OG1 3.48Å; D216-G219 PolarHBondContact O-N 2.93Å; D216-G219 PolarHBondContact OD1-N 2.88Å; D216-G219 VanDerWaalsContact OD1-N 3.14Å; D216-K220 PolarHBondContact N-O 2.98Å; D216-K220 PolarHBondContact OD1-N 2.97Å; D216-K228 WeakPolarHBondContact OD2-CD 3.44Å; D216-K228 WeakPolarHBondContact OD2-CE 3.46Å; D216-K228 IonicContact OD2-NZ 2.65Å; D216-K228 PolarHBondContact OD2-NZ 3.42Å
217S82.5Confident85.3Confident132 Ų13262.9 Ų62.992%0.92334%0.335SS*.THydrogen-bonded Turntrans-62.1-17.5178.354.90000114.1G219S217-G219 VanDerWaalsContact C-N 3.32Å
218T77.1Confident84.8Confident68 Ų6860.8 Ų60.842%0.41732%0.324SS..THydrogen-bonded Turntrans-89.90.3175.473.50000112.7D216 K220D216-T218 VanDerWaalsContact CG-OG1 3.25Å; D216-T218 PolarHBondContact O-N 3.32Å; D216-T218 VanDerWaalsContact O-N 3.13Å; D216-T218 VanDerWaalsContact OD1-CA 3.31Å; D216-T218 WeakPolarHBondContact OD1-CA 3.47Å; D216-T218 WeakPolarHBondContact OD1-CB 3.42Å; D216-T218 PolarHBondContact OD1-N 3.47Å; D216-T218 PolarHBondContact OD1-OG1 3.09Å; D216-T218 PolarHBondContact OD2-OG1 3.48Å; T218-K220 VanDerWaalsContact C-N 3.33Å
219G78.2Confident84.1Confident35 Ų3559.9 Ų59.936%0.36132%0.318SS..SBendtrans834.9-177.800000114.2D216 S217D216-G219 PolarHBondContact O-N 2.93Å; D216-G219 PolarHBondContact OD1-N 2.88Å; D216-G219 VanDerWaalsContact OD1-N 3.14Å; S217-G219 VanDerWaalsContact C-N 3.32Å
220K82Confident83.4Confident23 Ų2358.4 Ų58.410%0.131%0.312CS..  trans-88.3141.1-178.3-66-176.7-176.1-69.90111.3R215 D216 T218 K228 F229 D230R215-K220 CarbonylContact C-O 3.55Å; R215-K220 VanDerWaalsContact CA-O 3.32Å; R215-K220 WeakPolarHBondContact CA-O 3.47Å; D216-K220 PolarHBondContact N-O 2.98Å; D216-K220 PolarHBondContact OD1-N 2.97Å; T218-K220 VanDerWaalsContact C-N 3.33Å; K220-K228 HydrophobicContact CB-CB 4.1Å; K220-K228 HydrophobicContact CD-CB 4.09Å; K220-F229 CarbonylContact C-O 3.52Å; K220-F229 VanDerWaalsContact CA-O 3.32Å; K220-F229 WeakPolarHBondContact CA-O 3.15Å; K220-D230 IonicContact NZ-OD1 3.15Å; K220-D230 PolarHBondContact NZ-OD1 3.04Å; K220-D230 IonicContact NZ-OD2 3.37Å
221L86.4Confident82.8Confident3 Ų357 Ų572%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-92.9135.5178.3-63.5167.3000110.7Y198 I213 D214 R215 K228 F229 L232 I235Y198-L221 HydrophobicContact CD2-CD2 4.08Å; Y198-L221 HydrophobicContact CE2-CD2 3.97Å; I213-L221 HydrophobicContact CG2-CB 4Å; I213-L221 HydrophobicContact CG2-CD2 4.23Å; D214-L221 WeakPolarHBondContact O-CA 3.25Å; R215-L221 HydrophobicContact CB-CD2 3.85Å; R215-L221 HydrophobicContact CG-CD2 4.38Å; L221-K228 CarbonylContact O-C 3.53Å; L221-K228 WeakPolarHBondContact O-CA 3.36Å; L221-F229 PolarHBondContact N-O 3.11Å; L221-F229 PolarHBondContact O-N 2.94Å; L221-L232 HydrophobicContact CD1-CD2 4.1Å; L221-L232 HydrophobicContact CD1-CG 3.96Å; L221-I235 HydrophobicContact CB-CD1 3.71Å
222S86.1Confident82.4Confident24 Ų2453.2 Ų53.217%0.16829%0.292CS..EExtended strand (participates in β ladder)trans-150.5151.9175.755.90000112.1I213 D214 K227I213-S222 VanDerWaalsContact CA-O 3.3Å; I213-S222 WeakPolarHBondContact CA-O 3.42Å; D214-S222 PolarHBondContact N-O 3.49Å; D214-S222 PolarHBondContact O-N 2.93Å; S222-K227 VanDerWaalsContact CB-O 3.27Å; S222-K227 WeakPolarHBondContact CB-O 3.37Å
223I87.6Confident81.7Confident17 Ų1749.1 Ų49.19%0.08728%0.276CS..  trans-78.3148.6162.1-61.7-177.5000107.5L200 Y211 R212 I213 D225 G226 Y239L200-I223 HydrophobicContact CD2-CD1 4.09Å; Y211-I223 HydrophobicContact CD1-CG2 4.3Å; R212-I223 WeakPolarHBondContact O-CA 3.4Å; I213-I223 HydrophobicContact CG1-CG1 3.8Å; I223-D225 PolarHBondContact O-N 3.33Å; I223-G226 VanDerWaalsContact O-CA 3.27Å; I223-G226 WeakPolarHBondContact O-CA 3.37Å; I223-G226 PolarHBondContact O-N 2.67Å; I223-Y239 HydrophobicContact CD1-CD2 4.12Å; I223-Y239 HydrophobicContact CD1-CE2 3.38Å; I223-Y239 HydrophobicContact CG1-CE2 4.15Å
224P82.9Confident80.8Confident67 Ų6750 Ų5044%0.43528%0.28SS..THydrogen-bonded Turntrans-44.7131.2173.3-31.533.7000112.6R212 G226R212-P224 WeakPolarHBondContact O-CD 3.43Å; P224-G226 PolarHBondContact O-N 2.72Å
225D77.3Confident80.3Confident182 Ų18247.9 Ų47.997%0.97327%0.269SS*.THydrogen-bonded Turntrans54.910.4-175.5-52.2-46.2000115.2I223I223-D225 PolarHBondContact O-N 3.33Å
226G74.6Confident79.8Confident30 Ų3042.8 Ų42.831%0.30925%0.251SS..SBendtrans-93.7178.2-178.200000112.4I223 P224I223-G226 VanDerWaalsContact O-CA 3.27Å; I223-G226 WeakPolarHBondContact O-CA 3.37Å; I223-G226 PolarHBondContact O-N 2.67Å; P224-G226 PolarHBondContact O-N 2.72Å
227K74.4Confident79.1Confident53 Ų5342.8 Ų42.823%0.2325%0.25CS..  trans-72148.9177-170.4163.8-164.2142.90111.6N41 S222 F229N41-K227 HydrophobicContact CB-CD 4.22Å; N41-K227 PolarHBondContact ND2-NZ 3.11Å; N41-K227 PolarHBondContact OD1-NZ 3.2Å; S222-K227 VanDerWaalsContact CB-O 3.27Å; S222-K227 WeakPolarHBondContact CB-O 3.37Å; K227-F229 HydrophobicContact CB-CE2 3.68Å; K227-F229 HydrophobicContact CB-CZ 3.64Å; K227-F229 HydrophobicContact CD-CE1 4.26Å; K227-F229 HydrophobicContact CD-CZ 4.07Å; K227-F229 HydrophobicContact CG-CE1 4.24Å; K227-F229 HydrophobicContact CG-CE2 4.13Å; K227-F229 HydrophobicContact CG-CZ 3.83Å; K227-F229 WeakPolarHBondContact O-CD2 3.31Å; K227-F229 WeakPolarHBondContact O-CE2 3.24Å
228K79.5Confident78.5Confident92 Ų9237.1 Ų37.140%0.421%0.21SC..EExtended strand (participates in β ladder)trans-90.1137.3175.7-61.6-174.5177.3-163.50111.6D216 K220 L221D216-K228 WeakPolarHBondContact OD2-CD 3.44Å; D216-K228 WeakPolarHBondContact OD2-CE 3.46Å; D216-K228 IonicContact OD2-NZ 2.65Å; D216-K228 PolarHBondContact OD2-NZ 3.42Å; K220-K228 HydrophobicContact CB-CB 4.1Å; K220-K228 HydrophobicContact CD-CB 4.09Å; L221-K228 CarbonylContact O-C 3.53Å; L221-K228 WeakPolarHBondContact O-CA 3.36Å
229F77.3Confident78.3Confident1 Ų136.5 Ų36.50%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-137156.7-176.2-58.6-82.5000110.6K220 L221 K227 Q234 I235 N238K220-F229 CarbonylContact C-O 3.52Å; K220-F229 VanDerWaalsContact CA-O 3.32Å; K220-F229 WeakPolarHBondContact CA-O 3.15Å; L221-F229 PolarHBondContact N-O 3.11Å; L221-F229 PolarHBondContact O-N 2.94Å; K227-F229 HydrophobicContact CB-CE2 3.68Å; K227-F229 HydrophobicContact CB-CZ 3.64Å; K227-F229 HydrophobicContact CD-CE1 4.26Å; K227-F229 HydrophobicContact CD-CZ 4.07Å; K227-F229 HydrophobicContact CG-CE1 4.24Å; K227-F229 HydrophobicContact CG-CE2 4.13Å; K227-F229 HydrophobicContact CG-CZ 3.83Å; K227-F229 WeakPolarHBondContact O-CD2 3.31Å; K227-F229 WeakPolarHBondContact O-CE2 3.24Å; F229-Q234 HydrophobicContact CB-CB 4.01Å; F229-Q234 HydrophobicContact CD1-CB 3.78Å; F229-Q234 HydrophobicContact CG-CB 4.2Å; F229-I235 HydrophobicContact CB-CD1 4.49Å; F229-I235 HydrophobicContact CB-CG1 3.82Å; F229-I235 HydrophobicContact CD2-CB 4.3Å; F229-I235 HydrophobicContact CD2-CD1 4.15Å; F229-I235 HydrophobicContact CD2-CG1 3.23Å; F229-I235 HydrophobicContact CE2-CG1 3.9Å; F229-I235 HydrophobicContact CG-CG1 3.67Å; F229-N238 HydrophobicContact CE1-CB 3.64Å; F229-N238 HydrophobicContact CZ-CB 3.55Å; F229-N238 VanDerWaalsContact CZ-CG 3.47Å
230D74.9Confident77.8Confident48 Ų4842.1 Ų42.126%0.25722%0.215SC..SBendtrans-86.4-23.3-179.8-55.4-78.2000111.5L43 K220L43-D230 HydrophobicContact CB-CB 3.7Å; L43-D230 WeakPolarHBondContact CB-OD2 3.31Å; L43-D230 HydrophobicContact CD2-CB 4.11Å; L43-D230 HydrophobicContact CG-CB 4.5Å; L43-D230 PolarHBondContact N-OD2 3.28Å; K220-D230 IonicContact NZ-OD1 3.15Å; K220-D230 PolarHBondContact NZ-OD1 3.04Å; K220-D230 IonicContact NZ-OD2 3.37Å
231T79.4Confident76.5Confident8 Ų846.8 Ų46.85%0.04923%0.233CC..SBendtrans-139.8154-177810000112.7L43 A154 W233 Q234 I235L43-T231 HydrophobicContact CD2-CG2 4.44Å; A154-T231 HydrophobicContact CB-CG2 3.98Å; A154-T231 WeakPolarHBondContact O-CB 3.4Å; A154-T231 WeakPolarHBondContact O-CG2 3.46Å; T231-W233 PolarHBondContact O-N 3.42Å; T231-W233 PolarHBondContact OG1-N 2.92Å; T231-Q234 PolarHBondContact O-N 2.92Å; T231-Q234 PolarHBondContact OG1-N 3.5Å; T231-I235 PolarHBondContact O-N 3.41Å
232L82.2Confident74.8Confident1 Ų152.1 Ų52.11%0.00526%0.256CS..Hα-helixtrans-58.8-31.7173-73175.1000112.5H158 W163 F164 I189 Y198 I213 L221 Q234 I235 L236H158-L232 HydrophobicContact CB-CB 4.23Å; H158-L232 HydrophobicContact CB-CD1 4.22Å; W163-L232 HydrophobicContact CH2-CB 4.06Å; W163-L232 HydrophobicContact CZ3-CB 4.45Å; F164-L232 HydrophobicContact CD2-CD1 4.44Å; F164-L232 HydrophobicContact CE2-CD1 4.26Å; I189-L232 HydrophobicContact CD1-CD2 4.34Å; I189-L232 HydrophobicContact CG2-CD1 4.14Å; I189-L232 HydrophobicContact CG2-CD2 4.36Å; Y198-L232 HydrophobicContact CD1-CD1 3.66Å; Y198-L232 HydrophobicContact CD1-CD2 4.49Å; Y198-L232 HydrophobicContact CD2-CD1 4.07Å; Y198-L232 HydrophobicContact CD2-CD2 3.77Å; Y198-L232 HydrophobicContact CD2-CG 4.21Å; Y198-L232 HydrophobicContact CE1-CD1 3.59Å; Y198-L232 HydrophobicContact CE2-CD1 4.01Å; Y198-L232 HydrophobicContact CE2-CD2 4.27Å; Y198-L232 HydrophobicContact CE2-CG 4.23Å; Y198-L232 HydrophobicContact CG-CD1 3.89Å; Y198-L232 HydrophobicContact CG-CD2 3.88Å; Y198-L232 HydrophobicContact CG-CG 4.39Å; I213-L232 HydrophobicContact CD1-CD2 3.99Å; I213-L232 HydrophobicContact CG2-CD2 4.08Å; L221-L232 HydrophobicContact CD1-CD2 4.1Å; L221-L232 HydrophobicContact CD1-CG 3.96Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 3.25Å; L232-I235 HydrophobicContact CD2-CD1 4.38Å; L232-I235 WeakPolarHBondContact O-CB 3.35Å; L232-I235 PolarHBondContact O-N 3.06Å; L232-L236 PolarHBondContact O-N 3.46Å
233W77.4Confident72.7Confident43 Ų4359 Ų5916%0.16328%0.279CS..Hα-helixtrans-62.7-41178.3-167.2-80.6000111.6F115 L118 M161 W163 T231 L236 L237F115-W233 AromaticContact CD2-CD1 3.77Å; L118-W233 HydrophobicContact CD2-CD2 4.04Å; L118-W233 HydrophobicContact CD2-CH2 3.65Å; L118-W233 HydrophobicContact CD2-CZ2 2.95Å; L118-W233 HydrophobicContact CD2-CZ3 4.38Å; L118-W233 HydrophobicContact CG-CZ2 4.44Å; M161-W233 HydrophobicContact CB-CZ3 3.86Å; M161-W233 HydrophobicContact CG-CE3 3.71Å; M161-W233 HydrophobicContact CG-CH2 4.34Å; M161-W233 HydrophobicContact CG-CZ3 3.25Å; M161-W233 HydrophobicContact SD-CE3 3.95Å; M161-W233 HydrophobicContact SD-CH2 3.71Å; M161-W233 HydrophobicContact SD-CZ3 3.13Å; M161-W233 WeakPolarHBondContact SD-CZ3 3.21Å; W163-W233 AromaticContact CE2-CE3 3.9Å; W163-W233 AromaticContact CE2-CZ3 3.5Å; W163-W233 HydrophobicContact CH2-CE3 4.38Å; W163-W233 HydrophobicContact CZ2-CD2 4.18Å; W163-W233 AromaticContact CZ2-CE3 3.3Å; W163-W233 HydrophobicContact CZ2-CE3 3.3Å; W163-W233 AromaticContact CZ2-CZ3 3.44Å; W163-W233 HydrophobicContact CZ2-CZ3 3.44Å; W163-W233 VanDerWaalsContact CZ2-CZ3 3.44Å; W163-W233 AromaticContact NE1-CE3 3.89Å; W163-W233 AromaticContact NE1-CH2 3.49Å; W163-W233 AromaticContact NE1-CZ3 3.06Å; T231-W233 PolarHBondContact O-N 3.42Å; T231-W233 PolarHBondContact OG1-N 2.92Å; W233-L236 PolarHBondContact O-N 3.42Å; W233-L237 VanDerWaalsContact CD1-CD1 3.47Å; W233-L237 WeakPolarHBondContact O-CG 3.33Å; W233-L237 PolarHBondContact O-N 2.75Å
234Q74.3Confident69.9Low20 Ų2065.3 Ų65.39%0.09331%0.313CS..Hα-helixtrans-67.1-38.1178.1-69.6-175.3-46.200113L43 F229 T231 L232 L236 L237 N238L43-Q234 HydrophobicContact CD1-CG 4.25Å; F229-Q234 HydrophobicContact CB-CB 4.01Å; F229-Q234 HydrophobicContact CD1-CB 3.78Å; F229-Q234 HydrophobicContact CG-CB 4.2Å; T231-Q234 PolarHBondContact O-N 2.92Å; T231-Q234 PolarHBondContact OG1-N 3.5Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 3.25Å; Q234-L236 VanDerWaalsContact C-N 3.3Å; Q234-L236 PolarHBondContact O-N 3.45Å; Q234-L237 PolarHBondContact O-N 3.13Å; Q234-N238 WeakPolarHBondContact O-CB 3.23Å; Q234-N238 PolarHBondContact O-N 2.83Å
235I79.2Confident67.4Low0 Ų069.1 Ų69.10%037%0.365CS..Hα-helixtrans-53.5-52.6172.2-75.2172.9000109I213 L221 F229 T231 L232 L237 N238 Y239I213-I235 HydrophobicContact CD1-CD1 4.24Å; I213-I235 HydrophobicContact CD1-CG2 4.16Å; I213-I235 HydrophobicContact CG1-CD1 4.43Å; I213-I235 HydrophobicContact CG2-CD1 3.55Å; L221-I235 HydrophobicContact CB-CD1 3.71Å; F229-I235 HydrophobicContact CB-CD1 4.49Å; F229-I235 HydrophobicContact CB-CG1 3.82Å; F229-I235 HydrophobicContact CD2-CB 4.3Å; F229-I235 HydrophobicContact CD2-CD1 4.15Å; F229-I235 HydrophobicContact CD2-CG1 3.23Å; F229-I235 HydrophobicContact CE2-CG1 3.9Å; F229-I235 HydrophobicContact CG-CG1 3.67Å; T231-I235 PolarHBondContact O-N 3.41Å; L232-I235 HydrophobicContact CD2-CD1 4.38Å; L232-I235 WeakPolarHBondContact O-CB 3.35Å; L232-I235 PolarHBondContact O-N 3.06Å; I235-L237 PolarHBondContact O-N 3.34Å; I235-N238 PolarHBondContact O-N 2.97Å; I235-Y239 HydrophobicContact CG2-CD2 3.7Å; I235-Y239 HydrophobicContact CG2-CE2 3.82Å; I235-Y239 WeakPolarHBondContact O-CD2 3.41Å; I235-Y239 PolarHBondContact O-N 3.22Å
236L78.1Confident66.9Low15 Ų1563.5 Ų63.58%0.07933%0.334CS..Hα-helixtrans-64.3-42.8-179-71.3178.1000113.4W163 F187 I189 L200 L232 W233 Q234 N238 Y239 K240W163-L236 HydrophobicContact CD2-CD1 3.32Å; W163-L236 HydrophobicContact CE3-CD1 3.53Å; W163-L236 HydrophobicContact CG-CD1 3.93Å; W163-L236 HydrophobicContact CH2-CD1 3.6Å; W163-L236 HydrophobicContact CZ2-CD1 3.35Å; W163-L236 HydrophobicContact CZ3-CD1 3.7Å; F187-L236 HydrophobicContact CD2-CD2 3.74Å; F187-L236 HydrophobicContact CE2-CD1 3.67Å; F187-L236 HydrophobicContact CE2-CD2 3.33Å; F187-L236 HydrophobicContact CE2-CG 4.12Å; F187-L236 HydrophobicContact CZ-CD1 4.2Å; F187-L236 HydrophobicContact CZ-CD2 3.95Å; I189-L236 HydrophobicContact CD1-CD1 3.82Å; I189-L236 HydrophobicContact CD1-CD2 3.78Å; I189-L236 HydrophobicContact CD1-CG 3.75Å; I189-L236 HydrophobicContact CG1-CD2 4.37Å; L200-L236 HydrophobicContact CD1-CD2 4.04Å; L232-L236 PolarHBondContact O-N 3.46Å; W233-L236 PolarHBondContact O-N 3.42Å; Q234-L236 VanDerWaalsContact C-N 3.3Å; Q234-L236 PolarHBondContact O-N 3.45Å; L236-N238 VanDerWaalsContact C-N 3.33Å; L236-N238 PolarHBondContact O-N 3.32Å; L236-Y239 PolarHBondContact O-N 3.45Å; L236-K240 WeakPolarHBondContact O-CB 3.35Å; L236-K240 PolarHBondContact O-N 3.07Å
237L69.9Low66.5Low36 Ų3665.3 Ų65.319%0.18834%0.336CS..Hα-helixtrans-60.5-45.5175.6-72.3177000111.1F115 W233 Q234 I235 Y239 K240 Y241F115-L237 HydrophobicContact CB-CD1 3.85Å; F115-L237 HydrophobicContact CD2-CD1 3.87Å; F115-L237 HydrophobicContact CG-CD1 4.31Å; W233-L237 VanDerWaalsContact CD1-CD1 3.47Å; W233-L237 WeakPolarHBondContact O-CG 3.33Å; W233-L237 PolarHBondContact O-N 2.75Å; Q234-L237 PolarHBondContact O-N 3.13Å; I235-L237 PolarHBondContact O-N 3.34Å; L237-Y239 VanDerWaalsContact C-N 3.35Å; L237-Y239 PolarHBondContact O-N 3.25Å; L237-K240 PolarHBondContact O-N 3.22Å; L237-Y241 HydrophobicContact CD2-CD2 4.38Å; L237-Y241 HydrophobicContact CD2-CE2 3.93Å; L237-Y241 WeakPolarHBondContact O-CB 3.33Å; L237-Y241 VanDerWaalsContact O-CD2 3.27Å; L237-Y241 WeakPolarHBondContact O-CD2 3.49Å; L237-Y241 PolarHBondContact O-N 3.39Å
238N70.9Confident66.1Low14 Ų1465.9 Ų65.98%0.07534%0.342CS..Hα-helixtrans-59.1-47.8178.2175.287000111.3F229 Q234 I235 L236 K242F229-N238 HydrophobicContact CE1-CB 3.64Å; F229-N238 HydrophobicContact CZ-CB 3.55Å; F229-N238 VanDerWaalsContact CZ-CG 3.47Å; Q234-N238 WeakPolarHBondContact O-CB 3.23Å; Q234-N238 PolarHBondContact O-N 2.83Å; I235-N238 PolarHBondContact O-N 2.97Å; L236-N238 VanDerWaalsContact C-N 3.33Å; L236-N238 PolarHBondContact O-N 3.32Å; N238-K242 VanDerWaalsContact O-CB 3.26Å; N238-K242 WeakPolarHBondContact O-CB 3.5Å; N238-K242 WeakPolarHBondContact O-CG 3.42Å; N238-K242 PolarHBondContact O-N 3.38Å; N238-K242 WeakPolarHBondContact OD1-CD 3.37Å; N238-K242 WeakPolarHBondContact OD1-CE 3.43Å; N238-K242 PolarHBondContact OD1-NZ 3.47Å
239Y71.2Confident65.3Low54 Ų5464.4 Ų64.421%0.21234%0.338CS..Hα-helixtrans-75.7-25.8-178.5-70.6-62.9000113.6I223 I235 L236 L237 Y243I223-Y239 HydrophobicContact CD1-CD2 4.12Å; I223-Y239 HydrophobicContact CD1-CE2 3.38Å; I223-Y239 HydrophobicContact CG1-CE2 4.15Å; I235-Y239 HydrophobicContact CG2-CD2 3.7Å; I235-Y239 HydrophobicContact CG2-CE2 3.82Å; I235-Y239 WeakPolarHBondContact O-CD2 3.41Å; I235-Y239 PolarHBondContact O-N 3.22Å; L236-Y239 PolarHBondContact O-N 3.45Å; L237-Y239 VanDerWaalsContact C-N 3.35Å; L237-Y239 PolarHBondContact O-N 3.25Å; Y239-Y243 HydrophobicContact CD1-CD2 4.14Å; Y239-Y243 AromaticContact CD1-CE2 3.78Å; Y239-Y243 HydrophobicContact CD1-CE2 3.78Å; Y239-Y243 HydrophobicContact CE1-CE2 4.43Å; Y239-Y243 WeakPolarHBondContact O-CB 3.34Å; Y239-Y243 WeakPolarHBondContact O-CD2 3.22Å
240K67.6Low64.5Low153 Ų15368.4 Ų68.467%0.66536%0.359SS*.Hα-helixtrans-73.9-33.8174.2-167.9179.2-179.4-175.10112.7L236 L237L236-K240 WeakPolarHBondContact O-CB 3.35Å; L236-K240 PolarHBondContact O-N 3.07Å; L237-K240 PolarHBondContact O-N 3.22Å
241Y54.5Low63.8Low121 Ų12169.7 Ų69.748%0.47537%0.366SS..Hα-helixtrans-98.4-9.1-176.8-76.2-75.6000114.9L237L237-Y241 HydrophobicContact CD2-CD2 4.38Å; L237-Y241 HydrophobicContact CD2-CE2 3.93Å; L237-Y241 WeakPolarHBondContact O-CB 3.33Å; L237-Y241 VanDerWaalsContact O-CD2 3.27Å; L237-Y241 WeakPolarHBondContact O-CD2 3.49Å; L237-Y241 PolarHBondContact O-N 3.39Å
242K52.5Low62.7Low115 Ų11574.1 Ų74.150%0.539%0.388SS..Hα-helixtrans-104.6-3.3175.4-71.3-173.6179.2162.60114.1N41 N238N41-K242 PolarHBondContact OD1-NZ 3.37Å; N238-K242 VanDerWaalsContact O-CB 3.26Å; N238-K242 WeakPolarHBondContact O-CB 3.5Å; N238-K242 WeakPolarHBondContact O-CG 3.42Å; N238-K242 PolarHBondContact O-N 3.38Å; N238-K242 WeakPolarHBondContact OD1-CD 3.37Å; N238-K242 WeakPolarHBondContact OD1-CE 3.43Å; N238-K242 PolarHBondContact OD1-NZ 3.47Å
243Y40.3Very low61.2Low170 Ų17079.8 Ų79.867%0.66742%0.418SS*.  trans-103.537.2174.3-89.6-81.7000111.9Y239Y239-Y243 HydrophobicContact CD1-CD2 4.14Å; Y239-Y243 AromaticContact CD1-CE2 3.78Å; Y239-Y243 HydrophobicContact CD1-CE2 3.78Å; Y239-Y243 HydrophobicContact CE1-CE2 4.43Å; Y239-Y243 WeakPolarHBondContact O-CB 3.34Å; Y239-Y243 WeakPolarHBondContact O-CD2 3.22Å
244D29.6Very low59.9Low148 Ų14882.8 Ų82.879%0.79144%0.439SS*.  trans-86.7106.4141.9-73.9-29.8000103.8
245G30.2Very low58.5Low148 Ų14888.5 Ų88.5100%1.52647%0.471SS*.  trans-530-165.900000116.4

Retrieved 245 of 245 residues in 876.5 ms (Link to these results)

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