A0A087YKP7_POEFO Loading...

PRELI domain containing 3A

AlphaFold DB , UniProt , Accession A0A087YKP7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 178 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
1M65.1Low85.6Confident146 Ų14676.5 Ų76.572%0.71941%0.405SS*.  0120.80177.6-177.3-91.500107.2I129 I130 E142M1-I129 HydrophobicContact CE-CG2 3.99Å; M1-I129 HydrophobicContact CG-CG2 4.06Å; M1-I129 HydrophobicContact SD-CG2 4.32Å; M1-I130 VanDerWaalsContact CA-O 3.29Å; M1-I130 WeakPolarHBondContact CA-O 3.4Å; M1-E142 PolarHBondContact N-OE1 3.46Å
2K75.1Confident86Confident79 Ų7974.5 Ų74.534%0.34339%0.388SS..EExtended strand (participates in β ladder)trans-119137.3171.8-74.2-166.7-175.5174.90109.8I130 E142 V146K2-I130 PolarHBondContact N-O 2.79Å; K2-I130 PolarHBondContact O-N 2.83Å; K2-E142 HydrophobicContact CD-CB 3.92Å; K2-E142 HydrophobicContact CG-CB 4.2Å; K2-V146 HydrophobicContact CB-CG2 4.17Å; K2-V146 HydrophobicContact CD-CG2 4.04Å
3I83.1Confident86.4Confident123 Ų12371.2 Ų71.263%0.63137%0.374SS*.EExtended strand (participates in β ladder)trans-105.5129.3173.6-56.4171.1000106.4A128I3-A128 CarbonylContact C-O 3.59Å; I3-A128 WeakPolarHBondContact CA-O 3.41Å
4W85.3Confident86.8Confident37 Ų3767.1 Ų67.114%0.1435%0.351CS..EExtended strand (participates in β ladder)trans-118.4136.2171.1176.680.6000107.8T6 Q126 E127 A128 V146 A153W4-T6 HydrophobicContact CH2-CG2 3.09Å; W4-T6 HydrophobicContact CZ2-CG2 3.48Å; W4-T6 VanDerWaalsContact CZ2-CG2 3.48Å; W4-T6 HydrophobicContact CZ3-CG2 3.75Å; W4-Q126 HydrophobicContact CZ3-CB 4.26Å; W4-E127 CarbonylContact O-C 3.54Å; W4-E127 WeakPolarHBondContact O-CA 3.35Å; W4-A128 HydrophobicContact CB-CB 4.44Å; W4-A128 HydrophobicContact CE3-CB 4Å; W4-A128 PolarHBondContact N-O 3.4Å; W4-A128 PolarHBondContact O-N 3.3Å; W4-V146 HydrophobicContact CG-CG1 4.42Å; W4-A153 HydrophobicContact CH2-CB 3.39Å; W4-A153 HydrophobicContact CZ2-CB 4.25Å; W4-A153 HydrophobicContact CZ3-CB 4.13Å
5S87.9Confident87Confident73 Ų7367.3 Ų67.351%0.5135%0.35SS..EExtended strand (participates in β ladder)trans-138.6141.7177.4175.90000108.7Q126S5-Q126 CarbonylContact C-O 3.45Å; S5-Q126 VanDerWaalsContact CA-O 3.25Å; S5-Q126 WeakPolarHBondContact CA-O 3.41Å
6T90.4Very high87.2Confident35 Ų3565.9 Ų65.922%0.21535%0.345CS..EExtended strand (participates in β ladder)trans-147.6155.2174.5-164.20000109.7W4 Q126 W157W4-T6 HydrophobicContact CH2-CG2 3.09Å; W4-T6 HydrophobicContact CZ2-CG2 3.48Å; W4-T6 VanDerWaalsContact CZ2-CG2 3.48Å; W4-T6 HydrophobicContact CZ3-CG2 3.75Å; T6-Q126 HydrophobicContact CG2-CB 3.96Å; T6-Q126 HydrophobicContact CG2-CG 4.37Å; T6-Q126 PolarHBondContact N-O 3.37Å; T6-Q126 PolarHBondContact O-N 3.38Å; T6-W157 HydrophobicContact CG2-CH2 4.14Å; T6-W157 HydrophobicContact CG2-CZ2 3.65Å
7E91.3Very high87.4Confident122 Ų12262 Ų6257%0.5732%0.324SS*.EExtended strand (participates in β ladder)trans-121139.8173.4-172.4175.485.500108.6V123 L124E7-V123 HydrophobicContact CG-CG1 3.74Å; E7-L124 CarbonylContact C-O 3.59Å; E7-L124 WeakPolarHBondContact CA-O 3.38Å
8H91.1Very high87.5Confident42 Ų4259.3 Ų59.319%0.19431%0.31CS..EExtended strand (participates in β ladder)trans-133.7144.2174.7-172.665.4000110F10 L124 W157H8-F10 AromaticContact CD2-CD1 3.95Å; H8-F10 AromaticContact CD2-CE1 3.65Å; H8-F10 AromaticContact CD2-CE2 3.74Å; H8-F10 AromaticContact CD2-CZ 3.54Å; H8-F10 AromaticContact NE2-CD1 3.94Å; H8-F10 AromaticContact NE2-CE1 3.78Å; H8-L124 HydrophobicContact CB-CB 4.49Å; H8-L124 PolarHBondContact N-O 2.95Å; H8-L124 PolarHBondContact O-N 2.97Å; H8-W157 HydrophobicContact CB-CD2 3.9Å; H8-W157 HydrophobicContact CB-CE3 4.35Å; H8-W157 HydrophobicContact CB-CG 4.39Å; H8-W157 HydrophobicContact CB-CH2 4.19Å; H8-W157 HydrophobicContact CB-CZ2 3.71Å; H8-W157 HydrophobicContact CB-CZ3 4.49Å; H8-W157 AromaticContact CD2-CD1 3.95Å; H8-W157 AromaticContact CD2-CD2 3.85Å; H8-W157 AromaticContact CD2-CG 3.66Å; H8-W157 AromaticContact CE1-CE3 3.9Å; H8-W157 AromaticContact CG-CD2 3.54Å; H8-W157 AromaticContact CG-CE2 3.74Å; H8-W157 AromaticContact CG-CE3 3.81Å; H8-W157 AromaticContact CG-CG 3.87Å; H8-W157 AromaticContact ND1-CD2 3.77Å; H8-W157 AromaticContact ND1-CE3 3.52Å; H8-W157 AromaticContact ND1-CZ3 3.86Å
9I91.6Very high87.6Confident85 Ų8563.7 Ų63.744%0.43633%0.327SS..EExtended strand (participates in β ladder)trans-116.1119.4-177.8-59.5178.2000107.6V121I9-V121 HydrophobicContact CG2-CG1 3.16Å
10F89.7Confident87.6Confident2 Ų260.7 Ų60.71%0.00931%0.311CS..EExtended strand (participates in β ladder)trans-93.7127.6171.3-65.4-79000109.3H8 Y12 V17 Y112 V121 T122 L124 W157 I160H8-F10 AromaticContact CD2-CD1 3.95Å; H8-F10 AromaticContact CD2-CE1 3.65Å; H8-F10 AromaticContact CD2-CE2 3.74Å; H8-F10 AromaticContact CD2-CZ 3.54Å; H8-F10 AromaticContact NE2-CD1 3.94Å; H8-F10 AromaticContact NE2-CE1 3.78Å; F10-Y12 HydrophobicContact CB-CD2 4.42Å; F10-Y12 PolarHBondContact O-N 2.8Å; F10-V17 HydrophobicContact CB-CG2 3.87Å; F10-V17 HydrophobicContact CD2-CG1 4Å; F10-V17 HydrophobicContact CE2-CG1 4.3Å; F10-V17 HydrophobicContact CG-CG1 4.38Å; F10-V17 HydrophobicContact CG-CG2 4.26Å; F10-Y112 HydrophobicContact CE2-CE1 4.17Å; F10-V121 WeakPolarHBondContact O-CA 3.25Å; F10-V121 WeakPolarHBondContact O-CG1 3.42Å; F10-T122 PolarHBondContact N-O 3.47Å; F10-T122 PolarHBondContact O-N 3.25Å; F10-L124 HydrophobicContact CD2-CB 4.19Å; F10-L124 HydrophobicContact CE2-CB 3.74Å; F10-L124 HydrophobicContact CE2-CD2 3.65Å; F10-L124 HydrophobicContact CE2-CG 4.33Å; F10-L124 HydrophobicContact CZ-CD2 4.09Å; F10-W157 HydrophobicContact CE1-CB 4.21Å; F10-W157 HydrophobicContact CZ-CB 4.19Å; F10-W157 AromaticContact CZ-CD1 3.94Å; F10-W157 HydrophobicContact CZ-CG 4.31Å; F10-I160 HydrophobicContact CD1-CG2 4.39Å; F10-I160 HydrophobicContact CE1-CB 4.11Å; F10-I160 HydrophobicContact CE1-CG2 3.91Å; F10-I160 HydrophobicContact CZ-CB 4.27Å; F10-I160 HydrophobicContact CZ-CD1 3.93Å; F10-I160 HydrophobicContact CZ-CG2 4.19Å
11S91Very high87.6Confident98 Ų9858.1 Ų58.169%0.68530%0.299SS*.SBendtrans-78.541.9176.6-56.10000112.6
12Y90.6Very high88.6Confident52 Ų5253.5 Ų53.520%0.20428%0.277CS..SBendtrans-137.9151.1-179.7-58.9-84.5000110.9F10 E120 T122 E161 I164F10-Y12 HydrophobicContact CB-CD2 4.42Å; F10-Y12 PolarHBondContact O-N 2.8Å; Y12-E120 CarbonylContact C-O 3.57Å; Y12-E120 WeakPolarHBondContact CA-O 3.33Å; Y12-E120 PolarHBondContact N-O 3.23Å; Y12-T122 PolarHBondContact O-N 2.97Å; Y12-T122 PolarHBondContact O-OG1 2.86Å; Y12-E161 VanDerWaalsContact CE2-OE1 3.27Å; Y12-E161 WeakPolarHBondContact CE2-OE1 3.42Å; Y12-E161 VanDerWaalsContact CE2-OE2 3.29Å; Y12-E161 WeakPolarHBondContact CE2-OE2 3.44Å; Y12-E161 PolarHBondContact OH-OE1 2.79Å; Y12-I164 HydrophobicContact CD1-CG2 3.85Å; Y12-I164 HydrophobicContact CD2-CD1 3.76Å; Y12-I164 HydrophobicContact CE1-CG2 3.65Å; Y12-I164 HydrophobicContact CE2-CD1 4.17Å; Y12-I164 HydrophobicContact CE2-CG2 4.43Å; Y12-I164 HydrophobicContact CG-CD1 3.98Å; Y12-I164 HydrophobicContact CG-CG2 4.31Å
13P91.3Very high89Confident32 Ų3255.9 Ų55.921%0.20828%0.284CS..  trans-56.9148.5173.5-24.733.8000112.3E15 T16 V17P13-E15 VanDerWaalsContact C-N 3.26Å; P13-E15 PolarHBondContact O-N 3.2Å; P13-T16 WeakPolarHBondContact O-CB 3.35Å; P13-T16 PolarHBondContact O-N 3.08Å; P13-V17 PolarHBondContact O-N 2.89Å; P13-V17 VanDerWaalsContact O-N 3.14Å
14W92.1Very high88.9Confident14 Ų1451.8 Ų51.85%0.05326%0.261CS..Hα-helixtrans-54.5-42.6-176.9177.687.7000112.5T16 V17 I18 V84 K89 M91 Y112 P114 T122W14-T16 VanDerWaalsContact C-N 3.28Å; W14-T16 PolarHBondContact O-N 3.02Å; W14-V17 PolarHBondContact O-N 3.37Å; W14-I18 HydrophobicContact CD2-CD1 4.46Å; W14-I18 HydrophobicContact CD2-CG1 3.68Å; W14-I18 HydrophobicContact CE3-CG1 4.21Å; W14-I18 HydrophobicContact CG-CG1 4.16Å; W14-I18 HydrophobicContact CH2-CG1 4.08Å; W14-I18 HydrophobicContact CZ2-CD1 4.32Å; W14-I18 HydrophobicContact CZ2-CG1 3.52Å; W14-I18 HydrophobicContact CZ3-CG1 4.39Å; W14-I18 VanDerWaalsContact O-CG1 3.29Å; W14-I18 WeakPolarHBondContact O-CG1 3.41Å; W14-I18 PolarHBondContact O-N 3.39Å; W14-V84 HydrophobicContact CH2-CG1 3.74Å; W14-V84 HydrophobicContact CZ2-CG1 4.05Å; W14-K89 HydrophobicContact CD2-CB 3.99Å; W14-K89 HydrophobicContact CE3-CB 4.04Å; W14-K89 HydrophobicContact CE3-CG 4.27Å; W14-K89 HydrophobicContact CG-CB 4.45Å; W14-K89 VanDerWaalsContact CZ2-C 3.42Å; W14-K89 HydrophobicContact CZ3-CB 4.34Å; W14-K89 HydrophobicContact CZ3-CG 4.43Å; W14-K89 PolarHBondContact NE1-O 3.01Å; W14-K89 VanDerWaalsContact NE1-O 3.12Å; W14-M91 HydrophobicContact CZ2-CB 4.27Å; W14-Y112 PolarHBondContact NE1-O 2.94Å; W14-P114 HydrophobicContact CB-CB 4.45Å; W14-T122 WeakPolarHBondContact CA-OG1 3.45Å; W14-T122 PolarHBondContact N-OG1 2.8Å; W14-T122 VanDerWaalsContact N-OG1 3.16Å
15E89.8Confident88.6Confident70 Ų7053 Ų5333%0.32727%0.266SS..Hα-helixtrans-60.3-38.6-179.4-63.579.5-178.600112.1P13 K19 K89P13-E15 VanDerWaalsContact C-N 3.26Å; P13-E15 PolarHBondContact O-N 3.2Å; E15-K19 WeakPolarHBondContact O-CB 3.29Å; E15-K19 VanDerWaalsContact O-CG 3.22Å; E15-K19 WeakPolarHBondContact O-CG 3.48Å; E15-K19 PolarHBondContact O-N 2.79Å; E15-K19 VanDerWaalsContact O-N 3.16Å; E15-K89 WeakPolarHBondContact OE1-CE 3.46Å; E15-K89 IonicContact OE1-NZ 3.86Å; E15-K89 PolarHBondContact OE1-NZ 2.97Å
16T89.6Confident88.1Confident44 Ų4455.2 Ų55.227%0.2728%0.279SS..Hα-helixtrans-69.7-45.8177.8-59.40000110.5P13 W14 I18 K19 A20 I164P13-T16 WeakPolarHBondContact O-CB 3.35Å; P13-T16 PolarHBondContact O-N 3.08Å; W14-T16 VanDerWaalsContact C-N 3.28Å; W14-T16 PolarHBondContact O-N 3.02Å; T16-I18 PolarHBondContact O-N 2.83Å; T16-K19 PolarHBondContact O-N 2.97Å; T16-A20 WeakPolarHBondContact O-CB 3.37Å; T16-A20 PolarHBondContact O-N 2.95Å; T16-I164 HydrophobicContact CG2-CD1 4.3Å; T16-I164 HydrophobicContact CG2-CG1 4.08Å; T16-I164 HydrophobicContact CG2-CG2 3.9Å
17V90.2Very high87.5Confident0 Ų054 Ų540%027%0.271CS..Hα-helixtrans-63.3-42.9179.2177.80000111.4F10 P13 W14 A20 A21 Y112 T122 I160 I164F10-V17 HydrophobicContact CB-CG2 3.87Å; F10-V17 HydrophobicContact CD2-CG1 4Å; F10-V17 HydrophobicContact CE2-CG1 4.3Å; F10-V17 HydrophobicContact CG-CG1 4.38Å; F10-V17 HydrophobicContact CG-CG2 4.26Å; P13-V17 PolarHBondContact O-N 2.89Å; P13-V17 VanDerWaalsContact O-N 3.14Å; W14-V17 PolarHBondContact O-N 3.37Å; V17-A20 PolarHBondContact O-N 3.16Å; V17-A21 VanDerWaalsContact O-CB 3.31Å; V17-A21 WeakPolarHBondContact O-CB 3.31Å; V17-A21 PolarHBondContact O-N 2.8Å; V17-Y112 HydrophobicContact CG1-CD1 3.85Å; V17-Y112 HydrophobicContact CG1-CE1 4.04Å; V17-T122 HydrophobicContact CB-CG2 4.25Å; V17-T122 HydrophobicContact CG1-CG2 4.15Å; V17-T122 HydrophobicContact CG2-CG2 4.37Å; V17-I160 HydrophobicContact CG1-CG2 4.33Å; V17-I164 HydrophobicContact CG2-CD1 4.28Å
18I90.1Very high86.5Confident14 Ų1451.9 Ų51.97%0.07227%0.268CS..Hα-helixtrans-66-43.2179.2-65-25.6000111.2W14 T16 A20 A21 M22 V84 M91 Y112W14-I18 HydrophobicContact CD2-CD1 4.46Å; W14-I18 HydrophobicContact CD2-CG1 3.68Å; W14-I18 HydrophobicContact CE3-CG1 4.21Å; W14-I18 HydrophobicContact CG-CG1 4.16Å; W14-I18 HydrophobicContact CH2-CG1 4.08Å; W14-I18 HydrophobicContact CZ2-CD1 4.32Å; W14-I18 HydrophobicContact CZ2-CG1 3.52Å; W14-I18 HydrophobicContact CZ3-CG1 4.39Å; W14-I18 VanDerWaalsContact O-CG1 3.29Å; W14-I18 WeakPolarHBondContact O-CG1 3.41Å; W14-I18 PolarHBondContact O-N 3.39Å; T16-I18 PolarHBondContact O-N 2.83Å; I18-A20 VanDerWaalsContact C-N 3.31Å; I18-A20 PolarHBondContact O-N 2.7Å; I18-A21 PolarHBondContact O-N 3.12Å; I18-M22 WeakPolarHBondContact O-CG 3.46Å; I18-M22 PolarHBondContact O-N 3.33Å; I18-V84 HydrophobicContact CG2-CG1 4.29Å; I18-V84 HydrophobicContact CG2-CG2 4.47Å; I18-M91 HydrophobicContact CB-SD 4.37Å; I18-M91 HydrophobicContact CD1-CB 3.65Å; I18-M91 HydrophobicContact CD1-CG 4.26Å; I18-M91 HydrophobicContact CD1-SD 3.71Å; I18-M91 HydrophobicContact CG1-CB 4.11Å; I18-M91 HydrophobicContact CG1-SD 4.2Å; I18-M91 HydrophobicContact CG2-SD 3.76Å; I18-Y112 HydrophobicContact CD1-CD1 4.26Å; I18-Y112 HydrophobicContact CD1-CD2 4.4Å; I18-Y112 HydrophobicContact CD1-CG 3.86Å
19K89.5Confident85.9Confident142 Ų14253.4 Ų53.462%0.61728%0.276SS*.Hα-helixtrans-58.8-45.1175.2-76173-174.7177.30111.2E15 T16 M22 R23E15-K19 WeakPolarHBondContact O-CB 3.29Å; E15-K19 VanDerWaalsContact O-CG 3.22Å; E15-K19 WeakPolarHBondContact O-CG 3.48Å; E15-K19 PolarHBondContact O-N 2.79Å; E15-K19 VanDerWaalsContact O-N 3.16Å; T16-K19 PolarHBondContact O-N 2.97Å; K19-M22 PolarHBondContact O-N 3.25Å; K19-R23 PolarHBondContact O-N 3.06Å
20A88.3Confident85.1Confident3 Ų350.2 Ų50.23%0.02526%0.26CS..Hα-helixtrans-65.7-40.917700000112.3T16 V17 I18 M22 R23 K24 I160 V163 I164T16-A20 WeakPolarHBondContact O-CB 3.37Å; T16-A20 PolarHBondContact O-N 2.95Å; V17-A20 PolarHBondContact O-N 3.16Å; I18-A20 VanDerWaalsContact C-N 3.31Å; I18-A20 PolarHBondContact O-N 2.7Å; A20-M22 VanDerWaalsContact C-N 3.31Å; A20-M22 PolarHBondContact O-N 2.84Å; A20-R23 CarbonylContact O-C 3.46Å; A20-R23 VanDerWaalsContact O-C 3.3Å; A20-R23 PolarHBondContact O-N 3.31Å; A20-R23 VanDerWaalsContact O-N 3.13Å; A20-K24 WeakPolarHBondContact O-CA 3.45Å; A20-K24 PolarHBondContact O-N 3.44Å; A20-I160 HydrophobicContact CB-CG2 4.03Å; A20-V163 HydrophobicContact CB-CB 4.14Å; A20-V163 HydrophobicContact CB-CG1 3.78Å; A20-I164 HydrophobicContact CB-CD1 4.2Å; A20-I164 HydrophobicContact CB-CG1 3.46Å; A20-I164 VanDerWaalsContact CB-CG1 3.46Å
21A87.6Confident84.3Confident7 Ų754.5 Ų54.56%0.05829%0.288CS..Hα-helixtrans-62.7-37176.400000112.2V17 I18 R23 K24 I160V17-A21 VanDerWaalsContact O-CB 3.31Å; V17-A21 WeakPolarHBondContact O-CB 3.31Å; V17-A21 PolarHBondContact O-N 2.8Å; I18-A21 PolarHBondContact O-N 3.12Å; A21-R23 VanDerWaalsContact C-N 3.32Å; A21-K24 VanDerWaalsContact O-CB 3.29Å; A21-K24 WeakPolarHBondContact O-CB 3.22Å; A21-K24 PolarHBondContact O-N 2.8Å; A21-I160 HydrophobicContact CB-CD1 4.3Å
22M85.2Confident83.7Confident49 Ų4952.5 Ų52.524%0.24127%0.269CS..Hα-helixtrans-69.5-29175-71.7-64.3177.800113.2I18 K19 A20 R53 V84 M91I18-M22 WeakPolarHBondContact O-CG 3.46Å; I18-M22 PolarHBondContact O-N 3.33Å; K19-M22 PolarHBondContact O-N 3.25Å; A20-M22 VanDerWaalsContact C-N 3.31Å; A20-M22 PolarHBondContact O-N 2.84Å; M22-R53 PolarHBondContact SD-NH1 3.06Å; M22-V84 HydrophobicContact CE-CG2 3.38Å; M22-M91 HydrophobicContact CE-CE 3.49Å; M22-M91 VanDerWaalsContact CE-CE 3.49Å; M22-M91 HydrophobicContact CE-SD 3.9Å; M22-M91 HydrophobicContact SD-CE 4.29Å
23R82.7Confident83.2Confident130 Ų13051.3 Ų51.349%0.49127%0.267SS..THydrogen-bonded Turntrans-100.816.5177.8-65.2179.1177180-3.5113.1K19 A20 A21 Y25 V163K19-R23 PolarHBondContact O-N 3.06Å; A20-R23 CarbonylContact O-C 3.46Å; A20-R23 VanDerWaalsContact O-C 3.3Å; A20-R23 PolarHBondContact O-N 3.31Å; A20-R23 VanDerWaalsContact O-N 3.13Å; A21-R23 VanDerWaalsContact C-N 3.32Å; R23-Y25 PolarHBondContact O-N 2.96Å; R23-V163 HydrophobicContact CB-CG1 4.2Å
24K80.9Confident82.8Confident36 Ų3653.3 Ų53.316%0.15728%0.279CS..  trans-56.2-26.9-173.2-177.4178.2177.4-171.50113A20 A21 N27 A159A20-K24 WeakPolarHBondContact O-CA 3.45Å; A20-K24 PolarHBondContact O-N 3.44Å; A21-K24 VanDerWaalsContact O-CB 3.29Å; A21-K24 WeakPolarHBondContact O-CB 3.22Å; A21-K24 PolarHBondContact O-N 2.8Å; K24-N27 WeakPolarHBondContact O-CB 3.48Å; K24-N27 PolarHBondContact O-ND2 2.69Å; K24-A159 HydrophobicContact CG-CB 4.19Å
25Y80.1Confident82.4Confident63 Ų6353.7 Ų53.725%0.24729%0.288CS..  trans-118.8143.5-178.7-61.1-74.8000111.8R23 N27 N30 V33 V36 L55R23-Y25 PolarHBondContact O-N 2.96Å; Y25-N27 WeakPolarHBondContact CD1-ND2 3.14Å; Y25-N27 WeakPolarHBondContact CE1-ND2 3.42Å; Y25-N30 HydrophobicContact CE1-CB 3.96Å; Y25-V33 HydrophobicContact CD1-CB 3.82Å; Y25-V33 HydrophobicContact CD1-CG1 3.88Å; Y25-V33 HydrophobicContact CD1-CG2 4.05Å; Y25-V33 HydrophobicContact CE1-CB 3.74Å; Y25-V33 HydrophobicContact CE1-CG1 4.02Å; Y25-V33 HydrophobicContact CE1-CG2 3.42Å; Y25-V33 VanDerWaalsContact CE1-CG2 3.42Å; Y25-V33 HydrophobicContact CG-CG1 4.21Å; Y25-V36 HydrophobicContact CD2-CG2 4Å; Y25-V36 HydrophobicContact CG-CG2 4.01Å; Y25-L55 HydrophobicContact CE2-CD2 3.95Å
26P77.9Confident82.3Confident119 Ų11952.8 Ų52.877%0.77329%0.287SS*.SBendcis-75148.7-3.531.2-34.7000113
27N76.1Confident82.3Confident11 Ų1155.4 Ų55.46%0.05930%0.299CS..  trans-139.9149.8173.266.786.1000111.6K24 Y25 M29 N30 A159 W162K24-N27 WeakPolarHBondContact O-CB 3.48Å; K24-N27 PolarHBondContact O-ND2 2.69Å; Y25-N27 WeakPolarHBondContact CD1-ND2 3.14Å; Y25-N27 WeakPolarHBondContact CE1-ND2 3.42Å; N27-M29 PolarHBondContact O-N 2.71Å; N27-M29 WeakPolarHBondContact OD1-CA 3.39Å; N27-M29 WeakPolarHBondContact OD1-CB 3.41Å; N27-M29 PolarHBondContact OD1-N 2.86Å; N27-M29 VanDerWaalsContact OD1-N 3.13Å; N27-N30 PolarHBondContact O-N 2.83Å; N27-N30 WeakPolarHBondContact OD1-CB 3.49Å; N27-N30 PolarHBondContact OD1-N 3.41Å; N27-N30 PolarHBondContact OD1-ND2 2.82Å; N27-A159 HydrophobicContact CB-CB 4.08Å; N27-A159 WeakPolarHBondContact OD1-CB 3.22Å; N27-W162 HydrophobicContact CB-CE3 4.42Å
28P72.1Confident82.4Confident77 Ų7758.9 Ų58.950%0.532%0.32SS..THydrogen-bonded Turntrans-68-18.9-179.626.5-34.6000114W162P28-W162 HydrophobicContact CG-CD2 4.1Å; P28-W162 HydrophobicContact CG-CG 4.48Å; P28-W162 HydrophobicContact CG-CZ2 4.03Å
29M77.1Confident82.5Confident74 Ų7463.6 Ų63.637%0.36535%0.345SS..THydrogen-bonded Turntrans-77.6-26.2-177.4-55.5-57173.200112.8N27 P31 K155 D158 A159N27-M29 PolarHBondContact O-N 2.71Å; N27-M29 WeakPolarHBondContact OD1-CA 3.39Å; N27-M29 WeakPolarHBondContact OD1-CB 3.41Å; N27-M29 PolarHBondContact OD1-N 2.86Å; N27-M29 VanDerWaalsContact OD1-N 3.13Å; M29-P31 VanDerWaalsContact C-CD 3.49Å; M29-K155 HydrophobicContact CB-CB 4.41Å; M29-D158 HydrophobicContact CG-CB 4.21Å; M29-A159 HydrophobicContact CB-CB 4.31Å; M29-A159 HydrophobicContact CG-CB 4.48Å
30N75.6Confident82.7Confident17 Ų1760.7 Ų60.79%0.09134%0.336CS..  trans-127.668-179-65.6-65.6000111.3Y25 N27 N32 V33 K155Y25-N30 HydrophobicContact CE1-CB 3.96Å; N27-N30 PolarHBondContact O-N 2.83Å; N27-N30 WeakPolarHBondContact OD1-CB 3.49Å; N27-N30 PolarHBondContact OD1-N 3.41Å; N27-N30 PolarHBondContact OD1-ND2 2.82Å; N30-N32 PolarHBondContact O-N 3.34Å; N30-N32 VanDerWaalsContact O-N 3.14Å; N30-V33 HydrophobicContact CB-CG2 4.36Å; N30-V33 PolarHBondContact O-N 2.88Å; N30-K155 PolarHBondContact ND2-O 2.83Å; N30-K155 WeakPolarHBondContact OD1-CB 3.43Å
31P72.6Confident82.9Confident92 Ų9266.6 Ų66.660%0.59736%0.358SS*.THydrogen-bonded Turntrans-66.9-15.6-179.429.7-36.8000113.1M29 V33M29-P31 VanDerWaalsContact C-CD 3.49Å; P31-V33 PolarHBondContact O-N 2.85Å
32N77.7Confident83.2Confident56 Ų5668.7 Ų68.730%0.29937%0.372SS..THydrogen-bonded Turntrans-73.8-12.5-179.6-61.3-16.1000112.9N30 V34 T57 E58N30-N32 PolarHBondContact O-N 3.34Å; N30-N32 VanDerWaalsContact O-N 3.14Å; N32-V34 PolarHBondContact O-N 2.88Å; N32-T57 CarbonylContact O-C 3.55Å; N32-T57 WeakPolarHBondContact O-CA 3.48Å; N32-E58 PolarHBondContact O-N 3.13Å
33V80.6Confident83.7Confident27 Ų2772.2 Ų72.216%0.16439%0.391CS..EExtended strand (participates in β ladder)trans-87.1103.8174.1-174.60000107.6Y25 N30 P31 V36 T57Y25-V33 HydrophobicContact CD1-CB 3.82Å; Y25-V33 HydrophobicContact CD1-CG1 3.88Å; Y25-V33 HydrophobicContact CD1-CG2 4.05Å; Y25-V33 HydrophobicContact CE1-CB 3.74Å; Y25-V33 HydrophobicContact CE1-CG1 4.02Å; Y25-V33 HydrophobicContact CE1-CG2 3.42Å; Y25-V33 VanDerWaalsContact CE1-CG2 3.42Å; Y25-V33 HydrophobicContact CG-CG1 4.21Å; N30-V33 HydrophobicContact CB-CG2 4.36Å; N30-V33 PolarHBondContact O-N 2.88Å; P31-V33 PolarHBondContact O-N 2.85Å; V33-V36 HydrophobicContact CG1-CG2 3.75Å; V33-T57 HydrophobicContact CB-CG2 4.45Å; V33-T57 HydrophobicContact CG1-CG2 4.46Å; V33-T57 HydrophobicContact CG2-CG2 3.97Å
34V82.8Confident84.1Confident74 Ų7467.7 Ų67.745%0.44838%0.377SS..EExtended strand (participates in β ladder)trans-89.8-22-171.7-64.90000112.8N32 S56 E58N32-V34 PolarHBondContact O-N 2.88Å; V34-S56 WeakPolarHBondContact CG2-O 3.47Å; V34-S56 PolarHBondContact N-O 3.21Å; V34-E58 HydrophobicContact CG1-CB 4Å; V34-E58 HydrophobicContact CG1-CG 3.92Å; V34-E58 HydrophobicContact CG2-CG 4.17Å
35G83.9Confident84.6Confident23 Ų2371.9 Ų71.924%0.23741%0.411CS..EExtended strand (participates in β ladder)trans-162.5147.1177.800000112.3S56G35-S56 VanDerWaalsContact CA-OG 3.25Å; G35-S56 WeakPolarHBondContact CA-OG 3.38Å; G35-S56 PolarHBondContact N-O 3.16Å; G35-S56 PolarHBondContact N-OG 3.14Å; G35-S56 VanDerWaalsContact N-OG 3.09Å; G35-S56 PolarHBondContact O-N 3.23Å; G35-S56 PolarHBondContact O-OG 3.34Å
36V87.6Confident85.1Confident51 Ų5174.5 Ų74.531%0.30943%0.425SS..EExtended strand (participates in β ladder)trans-133.9118177.1-177.70000108.1Y25 V33 L54 L55Y25-V36 HydrophobicContact CD2-CG2 4Å; Y25-V36 HydrophobicContact CG-CG2 4.01Å; V33-V36 HydrophobicContact CG1-CG2 3.75Å; V36-L54 WeakPolarHBondContact CA-O 3.5Å; V36-L55 HydrophobicContact CG1-CG 4.35Å; V36-L55 HydrophobicContact CG2-CG 4.16Å
37D90.8Very high85.6Confident98 Ų9870.6 Ų70.652%0.52441%0.407SS..EExtended strand (participates in β ladder)trans-112.3135.2177.7-64.4-44.9000109.9R53 L54D37-R53 CarbonylContact O-C 3.56Å; D37-R53 VanDerWaalsContact O-CA 3.22Å; D37-R53 WeakPolarHBondContact O-CA 3.33Å; D37-L54 PolarHBondContact N-O 2.83Å; D37-L54 PolarHBondContact O-N 3.06Å
38V91Very high86.4Confident74 Ų7473.1 Ų73.145%0.44842%0.415SS..EExtended strand (participates in β ladder)trans-87.6109.8169-175.90000107.2R41 R53V38-R41 HydrophobicContact CG1-CB 4.23Å; V38-R53 HydrophobicContact CG2-CG 4.14Å
39L92.5Very high87.4Confident112 Ų11271.9 Ų71.959%0.58640%0.404SS*.EExtended strand (participates in β ladder)trans-78.5-39.5-178.6-60.8-176.2000111.7H52 L54L39-H52 HydrophobicContact CB-CB 4.41Å; L39-H52 PolarHBondContact N-O 2.87Å; L39-L54 HydrophobicContact CD1-CB 4Å; L39-L54 HydrophobicContact CD2-CB 4.07Å; L39-L54 HydrophobicContact CG-CB 4Å
40D93.2Very high88.2Confident82 Ų8269.9 Ų69.944%0.43939%0.394SS..EExtended strand (participates in β ladder)trans-154.6147.2-179.5-177.349.8000110.2H52D40-H52 HydrophobicContact CB-CB 4.23Å; D40-H52 PolarHBondContact N-O 2.96Å; D40-H52 PolarHBondContact O-N 3Å; D40-H52 IonicContact OD2-CD2 2.63Å
41R93.8Very high89.1Confident126 Ų12669 Ų6948%0.47539%0.39SS..EExtended strand (participates in β ladder)trans-147.7117.8174.9178.7174.7-70.9159.73.2109V38 L49 H50 S51V38-R41 HydrophobicContact CG1-CB 4.23Å; R41-L49 HydrophobicContact CG-CD1 3.68Å; R41-L49 HydrophobicContact CG-CG 4.41Å; R41-H50 VanDerWaalsContact CA-O 3.31Å; R41-H50 WeakPolarHBondContact CA-O 3.29Å; R41-S51 WeakPolarHBondContact CG-OG 3.45Å; R41-S51 PolarHBondContact NE-OG 2.93Å
42S94.1Very high90.1Very high52 Ų5267.7 Ų67.736%0.36438%0.375SS..EExtended strand (participates in β ladder)trans-135.8153-177.264.40000111.1H50S42-H50 PolarHBondContact N-O 2.69Å; S42-H50 PolarHBondContact O-N 3.22Å
43L94.6Very high90.8Very high123 Ų12365.9 Ų65.964%0.64436%0.364SS*.EExtended strand (participates in β ladder)trans-95.2135.3165.5-68.6167.9000108.3R48 L49L43-R48 WeakPolarHBondContact CA-O 3.31Å; L43-L49 HydrophobicContact CD2-CB 4.09Å; L43-L49 HydrophobicContact CD2-CD1 3.79Å; L43-L49 HydrophobicContact CG-CD1 4.31Å
44D91.5Very high91.3Very high35 Ų3566.4 Ų66.419%0.18737%0.366CS..  trans-82.3176.7171.169.717000112E46 G47 R48 H50D44-E46 PolarHBondContact O-N 3.17Å; D44-E46 VanDerWaalsContact OD1-C 3.3Å; D44-E46 WeakPolarHBondContact OD1-CA 3.29Å; D44-E46 WeakPolarHBondContact OD1-CB 3.01Å; D44-E46 PolarHBondContact OD1-N 3.4Å; D44-G47 PolarHBondContact O-N 3.12Å; D44-G47 VanDerWaalsContact O-N 3.08Å; D44-G47 PolarHBondContact OD1-N 3.01Å; D44-R48 PolarHBondContact N-O 3.21Å; D44-R48 PolarHBondContact OD1-N 3.44Å; D44-R48 WeakPolarHBondContact OD2-CB 3.36Å; D44-R48 IonicContact OD2-CZ 2.7Å; D44-R48 IonicContact OD2-NE 3.69Å; D44-R48 PolarHBondContact OD2-NE 2.94Å; D44-R48 IonicContact OD2-NH2 3.44Å; D44-R48 PolarHBondContact OD2-NH2 3.26Å; D44-H50 IonicContact OD2-CD2 3.82Å; D44-H50 IonicContact OD2-CE1 3.77Å; D44-H50 IonicContact OD2-NE2 2.69Å; D44-H50 PolarHBondContact OD2-NE2 3.13Å
45S90.9Very high91.7Very high124 Ų12463.4 Ų63.487%0.86735%0.347SS*.THydrogen-bonded Turntrans-64.2-17.4178.3510000114.1
46E89.9Confident91.8Very high117 Ų11763.3 Ų63.355%0.54734%0.343SS..THydrogen-bonded Turntrans-95.31.8178.5-67.6166.7-142.500111.4D44 R48D44-E46 PolarHBondContact O-N 3.17Å; D44-E46 VanDerWaalsContact OD1-C 3.3Å; D44-E46 WeakPolarHBondContact OD1-CA 3.29Å; D44-E46 WeakPolarHBondContact OD1-CB 3.01Å; D44-E46 PolarHBondContact OD1-N 3.4Å; E46-R48 VanDerWaalsContact C-N 3.34Å; E46-R48 HydrophobicContact CB-CG 4.38Å; E46-R48 VanDerWaalsContact CD-NH2 3.3Å; E46-R48 IonicContact OE1-NH2 2.93Å; E46-R48 PolarHBondContact OE1-NH2 2.81Å; E46-R48 IonicContact OE2-CZ 3.17Å; E46-R48 IonicContact OE2-NE 3.05Å; E46-R48 IonicContact OE2-NH1 2.69Å; E46-R48 PolarHBondContact OE2-NH1 3.38Å; E46-R48 IonicContact OE2-NH2 2.8Å; E46-R48 PolarHBondContact OE2-NH2 3.44Å
47G90Very high91.6Very high38 Ų3861.3 Ų61.339%0.39233%0.331SS..SBendtrans8011.4179.700000114.5D44D44-G47 PolarHBondContact O-N 3.12Å; D44-G47 VanDerWaalsContact O-N 3.08Å; D44-G47 PolarHBondContact OD1-N 3.01Å
48R92.8Very high90.9Very high64 Ų6460.7 Ų60.724%0.24233%0.325CS..  trans-81.8139.2176.1-50.5-179.4-64.9-133.2-17.8110.4L43 D44 E46 H50 I83 V84 D85L43-R48 WeakPolarHBondContact CA-O 3.31Å; D44-R48 PolarHBondContact N-O 3.21Å; D44-R48 PolarHBondContact OD1-N 3.44Å; D44-R48 WeakPolarHBondContact OD2-CB 3.36Å; D44-R48 IonicContact OD2-CZ 2.7Å; D44-R48 IonicContact OD2-NE 3.69Å; D44-R48 PolarHBondContact OD2-NE 2.94Å; D44-R48 IonicContact OD2-NH2 3.44Å; D44-R48 PolarHBondContact OD2-NH2 3.26Å; E46-R48 VanDerWaalsContact C-N 3.34Å; E46-R48 HydrophobicContact CB-CG 4.38Å; E46-R48 VanDerWaalsContact CD-NH2 3.3Å; E46-R48 IonicContact OE1-NH2 2.93Å; E46-R48 PolarHBondContact OE1-NH2 2.81Å; E46-R48 IonicContact OE2-CZ 3.17Å; E46-R48 IonicContact OE2-NE 3.05Å; E46-R48 IonicContact OE2-NH1 2.69Å; E46-R48 PolarHBondContact OE2-NH1 3.38Å; E46-R48 IonicContact OE2-NH2 2.8Å; E46-R48 PolarHBondContact OE2-NH2 3.44Å; R48-H50 PolarHBondContact O-CD2 2.93Å; R48-I83 HydrophobicContact CB-CG2 4.15Å; R48-V84 CarbonylContact C-O 3.55Å; R48-V84 VanDerWaalsContact CA-O 3.29Å; R48-V84 WeakPolarHBondContact CA-O 3.47Å; R48-V84 WeakPolarHBondContact CB-O 3.29Å; R48-D85 WeakPolarHBondContact CD-OD2 3.14Å; R48-D85 HydrophobicContact CG-CB 4.04Å
49L92.9Very high89.7Confident51 Ų5160.9 Ų60.927%0.26732%0.317SS..EExtended strand (participates in β ladder)trans-87.2113.6178.4-174.770.5000110.2R41 L43 I83 V84R41-L49 HydrophobicContact CG-CD1 3.68Å; R41-L49 HydrophobicContact CG-CG 4.41Å; L43-L49 HydrophobicContact CD2-CB 4.09Å; L43-L49 HydrophobicContact CD2-CD1 3.79Å; L43-L49 HydrophobicContact CG-CD1 4.31Å; L49-I83 CarbonylContact O-C 3.56Å; L49-I83 WeakPolarHBondContact O-CA 3.33Å; L49-V84 HydrophobicContact CB-CB 4.23Å; L49-V84 PolarHBondContact N-O 3.34Å; L49-V84 PolarHBondContact O-N 3.13Å
50H94.3Very high88Confident31 Ų3158.1 Ų58.114%0.14432%0.316CS..EExtended strand (participates in β ladder)trans-93.7132.9170.1-64-103000108.6R41 S42 D44 R48 H81 S82R41-H50 VanDerWaalsContact CA-O 3.31Å; R41-H50 WeakPolarHBondContact CA-O 3.29Å; S42-H50 PolarHBondContact N-O 2.69Å; S42-H50 PolarHBondContact O-N 3.22Å; D44-H50 IonicContact OD2-CD2 3.82Å; D44-H50 IonicContact OD2-CE1 3.77Å; D44-H50 IonicContact OD2-NE2 2.69Å; D44-H50 PolarHBondContact OD2-NE2 3.13Å; R48-H50 PolarHBondContact O-CD2 2.93Å; H50-H81 AromaticContact ND1-NE2 3.64Å; H50-S82 CarbonylContact C-O 3.6Å; H50-S82 WeakPolarHBondContact CA-O 3.32Å
51S93.4Very high86.5Confident0 Ų055.2 Ų55.20%030%0.301CS..EExtended strand (participates in β ladder)trans-137.9122.3176.5-73.60000110.1R41 H81 S82R41-S51 WeakPolarHBondContact CG-OG 3.45Å; R41-S51 PolarHBondContact NE-OG 2.93Å; S51-H81 WeakPolarHBondContact O-CA 3.32Å; S51-S82 WeakPolarHBondContact CB-OG 3.48Å; S51-S82 PolarHBondContact N-O 2.99Å; S51-S82 PolarHBondContact O-N 3.39Å; S51-S82 PolarHBondContact O-OG 3.32Å
52H93.4Very high85.1Confident64 Ų6452.4 Ų52.430%0.29630%0.298SS..EExtended strand (participates in β ladder)trans-100.3120.7173.5-67.7-78.3000109.2L39 D40 E80 H81L39-H52 HydrophobicContact CB-CB 4.41Å; L39-H52 PolarHBondContact N-O 2.87Å; D40-H52 HydrophobicContact CB-CB 4.23Å; D40-H52 PolarHBondContact N-O 2.96Å; D40-H52 PolarHBondContact O-N 3Å; D40-H52 IonicContact OD2-CD2 2.63Å; H52-E80 WeakPolarHBondContact CA-O 3.44Å; H52-H81 AromaticContact CE1-CD2 3.11Å; H52-H81 PolarHBondContact CE1-CD2 3.27Å; H52-H81 AromaticContact CE1-CG 3.7Å; H52-H81 AromaticContact CE1-NE2 3.52Å; H52-H81 AromaticContact ND1-CD2 3.42Å; H52-H81 PolarHBondContact ND1-CD2 3.48Å; H52-H81 AromaticContact ND1-CG 3.92Å; H52-H81 AromaticContact NE2-CD2 3.6Å; H52-H81 AromaticContact NE2-NE2 3.7Å
53R92.9Very high83.6Confident18 Ų1854.9 Ų54.97%0.06832%0.316CS..EExtended strand (participates in β ladder)trans-121.1146.1178.7-61.2-166.1-70.1-137.7-3.3111.1M22 D37 V38 L55 E80M22-R53 PolarHBondContact SD-NH1 3.06Å; D37-R53 CarbonylContact O-C 3.56Å; D37-R53 VanDerWaalsContact O-CA 3.22Å; D37-R53 WeakPolarHBondContact O-CA 3.33Å; V38-R53 HydrophobicContact CG2-CG 4.14Å; R53-L55 HydrophobicContact CB-CD1 4.1Å; R53-E80 HydrophobicContact CB-CB 4.29Å; R53-E80 IonicContact CZ-OE1 2.71Å; R53-E80 PolarHBondContact N-O 2.78Å; R53-E80 IonicContact NE-OE1 2.96Å; R53-E80 PolarHBondContact NE-OE1 3.31Å; R53-E80 IonicContact NH2-OE1 2.61Å; R53-E80 PolarHBondContact NH2-OE1 3.18Å; R53-E80 PolarHBondContact O-N 2.82Å
54L91.9Very high82.1Confident38 Ų3852 Ų5220%0.19930%0.3CS..EExtended strand (participates in β ladder)trans-110.3120.4169.9-17765.6000108.2V36 D37 L39 Y77 I98V36-L54 WeakPolarHBondContact CA-O 3.5Å; D37-L54 PolarHBondContact N-O 2.83Å; D37-L54 PolarHBondContact O-N 3.06Å; L39-L54 HydrophobicContact CD1-CB 4Å; L39-L54 HydrophobicContact CD2-CB 4.07Å; L39-L54 HydrophobicContact CG-CB 4Å; L54-Y77 HydrophobicContact CD1-CD1 4.46Å; L54-I98 HydrophobicContact CD1-CD1 3.64Å
55L89.4Confident80.8Confident10 Ų1050.6 Ų50.65%0.05229%0.293CS..EExtended strand (participates in β ladder)trans-102.9124.9175.1-68.977.3000108.3Y25 V36 R53 Y77 V78 E80Y25-L55 HydrophobicContact CE2-CD2 3.95Å; V36-L55 HydrophobicContact CG1-CG 4.35Å; V36-L55 HydrophobicContact CG2-CG 4.16Å; R53-L55 HydrophobicContact CB-CD1 4.1Å; L55-Y77 WeakPolarHBondContact O-CA 3.25Å; L55-V78 HydrophobicContact CB-CB 4.31Å; L55-V78 PolarHBondContact N-O 2.82Å; L55-V78 PolarHBondContact O-N 3.42Å; L55-E80 HydrophobicContact CD1-CB 3.61Å; L55-E80 HydrophobicContact CD1-CG 4.46Å
56S87.3Confident79.7Confident22 Ų2249.1 Ų49.115%0.15427%0.269CS..EExtended strand (participates in β ladder)trans-97.8126.3169.560.30000108.8V34 G35V34-S56 WeakPolarHBondContact CG2-O 3.47Å; V34-S56 PolarHBondContact N-O 3.21Å; G35-S56 VanDerWaalsContact CA-OG 3.25Å; G35-S56 WeakPolarHBondContact CA-OG 3.38Å; G35-S56 PolarHBondContact N-O 3.16Å; G35-S56 PolarHBondContact N-OG 3.14Å; G35-S56 VanDerWaalsContact N-OG 3.09Å; G35-S56 PolarHBondContact O-N 3.23Å; G35-S56 PolarHBondContact O-OG 3.34Å
57T82.1Confident78.7Confident9 Ų947.4 Ų47.46%0.05528%0.275CS..EExtended strand (participates in β ladder)trans-129.7132.7-174.756.50000110.1N32 V33 Q75 T76N32-T57 CarbonylContact O-C 3.55Å; N32-T57 WeakPolarHBondContact O-CA 3.48Å; V33-T57 HydrophobicContact CB-CG2 4.45Å; V33-T57 HydrophobicContact CG1-CG2 4.46Å; V33-T57 HydrophobicContact CG2-CG2 3.97Å; T57-Q75 CarbonylContact O-C 3.58Å; T57-Q75 WeakPolarHBondContact O-CA 3.42Å; T57-T76 PolarHBondContact N-O 2.86Å; T57-T76 PolarHBondContact O-N 3.23Å; T57-T76 PolarHBondContact O-OG1 3.07Å; T57-T76 PolarHBondContact OG1-O 3.46Å; T57-T76 PolarHBondContact OG1-OG1 3.31Å
58E76.4Confident77.5Confident85 Ų8549.7 Ų49.740%0.39728%0.277SS..EExtended strand (participates in β ladder)trans-97.893.7170.7-78.3-172.7177.300108.5N32 V34 Q75N32-E58 PolarHBondContact O-N 3.13Å; V34-E58 HydrophobicContact CG1-CB 4Å; V34-E58 HydrophobicContact CG1-CG 3.92Å; V34-E58 HydrophobicContact CG2-CG 4.17Å; E58-Q75 HydrophobicContact CG-CG 3.57Å; E58-Q75 PolarHBondContact OE1-NE2 2.98Å
59W66.3Low76.2Confident77 Ų7748.4 Ų48.429%0.29228%0.275SS..  trans-94.7132.6173.6-84.389000110.3L61 T74 N152W59-L61 PolarHBondContact O-N 3.19Å; W59-T74 PolarHBondContact N-O 3.43Å; W59-T74 VanDerWaalsContact N-O 3.1Å; W59-T74 WeakPolarHBondContact O-CB 3.42Å; W59-N152 WeakPolarHBondContact CH2-ND2 3.1Å; W59-N152 WeakPolarHBondContact CH2-OD1 3.49Å; W59-N152 WeakPolarHBondContact CZ2-ND2 3.43Å
60G56.9Low74.8Confident54 Ų5449.4 Ų49.456%0.55730%0.297SS*.  trans-65.384.1159.100000109.2
61L61.4Low73.3Confident22 Ų2250.4 Ų50.412%0.11531%0.305CS..  trans-49.4131175.1-72.1175.7000108.7W59 S63 V65 R66 L69 T76 L100W59-L61 PolarHBondContact O-N 3.19Å; L61-S63 PolarHBondContact O-N 3.38Å; L61-V65 HydrophobicContact CB-CB 4.45Å; L61-V65 HydrophobicContact CB-CG1 4.48Å; L61-V65 HydrophobicContact CD1-CG1 4.47Å; L61-V65 HydrophobicContact CD2-CG1 4.1Å; L61-R66 HydrophobicContact CB-CG 3.65Å; L61-R66 PolarHBondContact O-NE 3.27Å; L61-L69 HydrophobicContact CD1-CD1 4.08Å; L61-T76 HydrophobicContact CD2-CG2 4.48Å; L61-L100 HydrophobicContact CD1-CD1 4.08Å; L61-L100 HydrophobicContact CD2-CD1 3.69Å
62P63.6Low71.8Confident66 Ų6657.6 Ų57.643%0.42934%0.344SS..  trans-52.5144.1177.2-24.732.1000110.1I64 V65 R66P62-I64 HydrophobicContact CB-CG2 4.33Å; P62-I64 PolarHBondContact O-N 3.08Å; P62-V65 HydrophobicContact CB-CG2 4.2Å; P62-V65 HydrophobicContact CG-CG2 4.22Å; P62-V65 WeakPolarHBondContact O-CA 3.21Å; P62-V65 WeakPolarHBondContact O-CB 3.41Å; P62-V65 PolarHBondContact O-N 3.27Å; P62-R66 PolarHBondContact O-N 3.45Å; P62-R66 VanDerWaalsContact O-N 3.09Å
63S64.1Low70.3Confident104 Ų10461.7 Ų61.773%0.72736%0.363SS*.Hα-helixtrans-52.1-33.8-172.9-36.30000112.9L61 R66 A67L61-S63 PolarHBondContact O-N 3.38Å; S63-R66 PolarHBondContact O-N 2.99Å; S63-A67 WeakPolarHBondContact O-CB 3.41Å; S63-A67 PolarHBondContact O-N 3.42Å
64I63.3Low69.1Low63 Ų6362.8 Ų62.832%0.32337%0.371SS..Hα-helixtrans-67-37.6176.6-158.1163.1000112.8P62 A67 I68 L137 L141P62-I64 HydrophobicContact CB-CG2 4.33Å; P62-I64 PolarHBondContact O-N 3.08Å; I64-A67 PolarHBondContact O-N 3.11Å; I64-I68 HydrophobicContact CG1-CD1 4.3Å; I64-I68 WeakPolarHBondContact O-CD1 3.35Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 2.84Å; I64-L137 HydrophobicContact CD1-CD1 4.26Å; I64-L141 HydrophobicContact CG2-CD2 3.78Å
65V63.8Low68.4Low6 Ų665.1 Ų65.14%0.03638%0.381CS..Hα-helixtrans-72.2-40.1178.1-177.60000109.8L61 P62 I68 L69 L103L61-V65 HydrophobicContact CB-CB 4.45Å; L61-V65 HydrophobicContact CB-CG1 4.48Å; L61-V65 HydrophobicContact CD1-CG1 4.47Å; L61-V65 HydrophobicContact CD2-CG1 4.1Å; P62-V65 HydrophobicContact CB-CG2 4.2Å; P62-V65 HydrophobicContact CG-CG2 4.22Å; P62-V65 WeakPolarHBondContact O-CA 3.21Å; P62-V65 WeakPolarHBondContact O-CB 3.41Å; P62-V65 PolarHBondContact O-N 3.27Å; V65-I68 PolarHBondContact O-N 2.85Å; V65-L69 HydrophobicContact CG1-CD1 3.59Å; V65-L69 HydrophobicContact CG1-CG 4.36Å; V65-L69 WeakPolarHBondContact O-CB 2.97Å; V65-L69 WeakPolarHBondContact O-CD1 3.25Å; V65-L69 VanDerWaalsContact O-CG 3.27Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 2.81Å; V65-L103 HydrophobicContact CG1-CD2 4.09Å
66R68.5Low68Low93 Ų9365.5 Ų65.535%0.35138%0.384SS..Hα-helixtrans-61-44.3172.2-64.3-175.4-174.5-154.2-4.8112.1L61 P62 S63 I68 L69 G70 T74L61-R66 HydrophobicContact CB-CG 3.65Å; L61-R66 PolarHBondContact O-NE 3.27Å; P62-R66 PolarHBondContact O-N 3.45Å; P62-R66 VanDerWaalsContact O-N 3.09Å; S63-R66 PolarHBondContact O-N 2.99Å; R66-I68 VanDerWaalsContact C-N 3.35Å; R66-I68 PolarHBondContact O-N 2.77Å; R66-L69 PolarHBondContact O-N 2.83Å; R66-G70 PolarHBondContact O-N 2.83Å; R66-T74 VanDerWaalsContact NH2-CG2 3.31Å
67A68.1Low68Low81 Ų8168.8 Ų68.867%0.66939%0.394SS*.Hα-helixtrans-63.6-38.5178.700000112.5S63 I64S63-A67 WeakPolarHBondContact O-CB 3.41Å; S63-A67 PolarHBondContact O-N 3.42Å; I64-A67 PolarHBondContact O-N 3.11Å
68I65.5Low68.4Low85 Ų8570 Ų7044%0.43640%0.401SS..Hα-helixtrans-72-40177.7-68.8164.5000111.6I64 V65 R66 L103 V135I64-I68 HydrophobicContact CG1-CD1 4.3Å; I64-I68 WeakPolarHBondContact O-CD1 3.35Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 2.84Å; V65-I68 PolarHBondContact O-N 2.85Å; R66-I68 VanDerWaalsContact C-N 3.35Å; R66-I68 PolarHBondContact O-N 2.77Å; I68-L103 HydrophobicContact CG2-CD1 4.12Å; I68-L103 HydrophobicContact CG2-CD2 4.3Å; I68-V135 HydrophobicContact CD1-CG1 4.36Å
69L64.3Low69.2Low38 Ų3871.2 Ų71.220%0.19941%0.405CS..Hα-helixtrans-80.8-20.2-177.4-68167.5000113.3L61 V65 R66 T71 L100 L103L61-L69 HydrophobicContact CD1-CD1 4.08Å; V65-L69 HydrophobicContact CG1-CD1 3.59Å; V65-L69 HydrophobicContact CG1-CG 4.36Å; V65-L69 WeakPolarHBondContact O-CB 2.97Å; V65-L69 WeakPolarHBondContact O-CD1 3.25Å; V65-L69 VanDerWaalsContact O-CG 3.27Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 2.81Å; R66-L69 PolarHBondContact O-N 2.83Å; L69-T71 HydrophobicContact CB-CG2 4.32Å; L69-T71 WeakPolarHBondContact O-CG2 3.44Å; L69-T71 PolarHBondContact O-N 2.87Å; L69-T71 VanDerWaalsContact O-N 3.17Å; L69-L100 HydrophobicContact CD1-CD1 3.75Å; L69-L100 HydrophobicContact CD1-CD2 3.34Å; L69-L100 HydrophobicContact CD1-CG 4.15Å; L69-L100 HydrophobicContact CD2-CD2 3.76Å; L69-L100 HydrophobicContact CG-CD2 4.19Å; L69-L103 HydrophobicContact CD2-CD2 4.31Å; L69-L103 HydrophobicContact CG-CD2 4.35Å
70G63.2Low70.5Confident71 Ų7168.3 Ų68.373%0.73239%0.394SS*.THydrogen-bonded Turntrans62.619.7-178.200000113.7R66R66-G70 PolarHBondContact O-N 2.83Å
71T63.9Low72.3Confident53 Ų5368 Ų6833%0.32538%0.379SS..  trans-118.8144.3-178.9900000111.6L69 H73L69-T71 HydrophobicContact CB-CG2 4.32Å; L69-T71 WeakPolarHBondContact O-CG2 3.44Å; L69-T71 PolarHBondContact O-N 2.87Å; L69-T71 VanDerWaalsContact O-N 3.17Å; T71-H73 VanDerWaalsContact C-N 3.33Å; T71-H73 PolarHBondContact OG1-N 3.09Å
72N60.9Low73.8Confident150 Ų15067 Ų6780%0.80237%0.373SS*.  trans-90.21.8168.9-72.4-23.4000112.4T74N72-T74 PolarHBondContact O-N 3.02Å
73H62Low75.3Confident151 Ų15165.9 Ų65.970%0.69936%0.363SS*.  trans-73.9113.9179.4-72.1-78.5000109.5T71T71-H73 VanDerWaalsContact C-N 3.33Å; T71-H73 PolarHBondContact OG1-N 3.09Å
74T67.8Low76.8Confident40 Ų4061.6 Ų61.625%0.24533%0.333CS..  trans-96.3-4.8-17948.90000113.2W59 R66 N72W59-T74 PolarHBondContact N-O 3.43Å; W59-T74 VanDerWaalsContact N-O 3.1Å; W59-T74 WeakPolarHBondContact O-CB 3.42Å; R66-T74 VanDerWaalsContact NH2-CG2 3.31Å; N72-T74 PolarHBondContact O-N 3.02Å
75Q76.6Confident78.2Confident87 Ų8760 Ų6041%0.40733%0.325SS..EExtended strand (participates in β ladder)trans-82123.9178.3-76.3-175.7-7.100110.8T57 E58T57-Q75 CarbonylContact O-C 3.58Å; T57-Q75 WeakPolarHBondContact O-CA 3.42Å; E58-Q75 HydrophobicContact CG-CG 3.57Å; E58-Q75 PolarHBondContact OE1-NE2 2.98Å
76T81.9Confident79.4Confident18 Ų1863.4 Ų63.411%0.1135%0.347CS..EExtended strand (participates in β ladder)trans-120.1140.7175.847.10000110.3T57 L61 T99 L100T57-T76 PolarHBondContact N-O 2.86Å; T57-T76 PolarHBondContact O-N 3.23Å; T57-T76 PolarHBondContact O-OG1 3.07Å; T57-T76 PolarHBondContact OG1-O 3.46Å; T57-T76 PolarHBondContact OG1-OG1 3.31Å; L61-T76 HydrophobicContact CD2-CG2 4.48Å; T76-T99 VanDerWaalsContact CA-OG1 3.26Å; T76-T99 WeakPolarHBondContact CA-OG1 3.19Å; T76-T99 VanDerWaalsContact CB-OG1 3.26Å; T76-T99 WeakPolarHBondContact CB-OG1 3.37Å; T76-L100 HydrophobicContact CG2-CD1 4.21Å
77Y87.4Confident80.3Confident91 Ų9167 Ų6736%0.35737%0.368SS..EExtended strand (participates in β ladder)trans-109136179.4-60.8-73.9000110.4L54 L55 I98 T99L54-Y77 HydrophobicContact CD1-CD1 4.46Å; L55-Y77 WeakPolarHBondContact O-CA 3.25Å; Y77-I98 PolarHBondContact O-N 3.01Å; Y77-T99 HydrophobicContact CD2-CG2 3.54Å; Y77-T99 HydrophobicContact CE2-CG2 4.47Å; Y77-T99 HydrophobicContact CG-CG2 4.26Å; Y77-T99 PolarHBondContact N-OG1 2.63Å; Y77-T99 PolarHBondContact O-N 2.82Å; Y77-T99 PolarHBondContact O-OG1 2.94Å
78V89.7Confident81.4Confident34 Ų3467.8 Ų67.821%0.20636%0.364CS..EExtended strand (participates in β ladder)trans-122.5128.2176.7-178.30000108.2L55L55-V78 HydrophobicContact CB-CB 4.31Å; L55-V78 PolarHBondContact N-O 2.82Å; L55-V78 PolarHBondContact O-N 3.42Å
79K93.1Very high82.6Confident111 Ų11167.8 Ų67.848%0.48336%0.361SS..EExtended strand (participates in β ladder)trans-86.9129.6170-175179.965.3175.30107.8S95 T96 I98K79-S95 CarbonylContact O-C 3.57Å; K79-S95 WeakPolarHBondContact O-CA 3.18Å; K79-T96 PolarHBondContact N-O 2.91Å; K79-T96 PolarHBondContact O-N 3.07Å; K79-I98 HydrophobicContact CB-CD1 3.91Å; K79-I98 HydrophobicContact CB-CG1 3.87Å
80E93.9Very high84Confident16 Ų1669.2 Ų69.28%0.07537%0.365CS..EExtended strand (participates in β ladder)trans-121.2137174.2-1771798500109.6H52 R53 L55 L93 S94 S95H52-E80 WeakPolarHBondContact CA-O 3.44Å; R53-E80 HydrophobicContact CB-CB 4.29Å; R53-E80 IonicContact CZ-OE1 2.71Å; R53-E80 PolarHBondContact N-O 2.78Å; R53-E80 IonicContact NE-OE1 2.96Å; R53-E80 PolarHBondContact NE-OE1 3.31Å; R53-E80 IonicContact NH2-OE1 2.61Å; R53-E80 PolarHBondContact NH2-OE1 3.18Å; R53-E80 PolarHBondContact O-N 2.82Å; L55-E80 HydrophobicContact CD1-CB 3.61Å; L55-E80 HydrophobicContact CD1-CG 4.46Å; E80-L93 HydrophobicContact CG-CD1 4.07Å; E80-L93 HydrophobicContact CG-CD2 3.81Å; E80-L93 HydrophobicContact CG-CG 3.8Å; E80-S94 CarbonylContact C-O 3.57Å; E80-S94 WeakPolarHBondContact CA-O 3.37Å; E80-S95 WeakPolarHBondContact CG-OG 3.49Å; E80-S95 PolarHBondContact OE2-OG 3.16Å
81H94.6Very high85.4Confident49 Ų4965.8 Ų65.823%0.22733%0.331CS..EExtended strand (participates in β ladder)trans-127.8124.8175.1178.6-134.1000108.4H50 S51 H52 L93 S94H50-H81 AromaticContact ND1-NE2 3.64Å; S51-H81 WeakPolarHBondContact O-CA 3.32Å; H52-H81 AromaticContact CE1-CD2 3.11Å; H52-H81 PolarHBondContact CE1-CD2 3.27Å; H52-H81 AromaticContact CE1-CG 3.7Å; H52-H81 AromaticContact CE1-NE2 3.52Å; H52-H81 AromaticContact ND1-CD2 3.42Å; H52-H81 PolarHBondContact ND1-CD2 3.48Å; H52-H81 AromaticContact ND1-CG 3.92Å; H52-H81 AromaticContact NE2-CD2 3.6Å; H52-H81 AromaticContact NE2-NE2 3.7Å; H81-L93 CarbonylContact O-C 3.51Å; H81-L93 WeakPolarHBondContact O-CA 3.4Å; H81-S94 PolarHBondContact N-O 3.22Å; H81-S94 PolarHBondContact O-N 3.46Å
82S94.3Very high86.9Confident0 Ų066.2 Ų66.20%033%0.329CS..EExtended strand (participates in β ladder)trans-124.4141.4178.657.30000111.4H50 S51 E92H50-S82 CarbonylContact C-O 3.6Å; H50-S82 WeakPolarHBondContact CA-O 3.32Å; S51-S82 WeakPolarHBondContact CB-OG 3.48Å; S51-S82 PolarHBondContact N-O 2.99Å; S51-S82 PolarHBondContact O-N 3.39Å; S51-S82 PolarHBondContact O-OG 3.32Å; S82-E92 CarbonylContact C-O 3.56Å; S82-E92 WeakPolarHBondContact CA-O 3.47Å
83I94.7Very high88.5Confident42 Ų4259.5 Ų59.522%0.21529%0.293CS..EExtended strand (participates in β ladder)trans-125.3121.3177.3-51.8177.5000106.7R48 L49 M91 E92R48-I83 HydrophobicContact CB-CG2 4.15Å; L49-I83 CarbonylContact O-C 3.56Å; L49-I83 WeakPolarHBondContact O-CA 3.33Å; I83-M91 CarbonylContact O-C 3.3Å; I83-M91 WeakPolarHBondContact O-CA 3.2Å; I83-E92 PolarHBondContact N-O 2.89Å; I83-E92 PolarHBondContact O-N 2.83Å
84V94.4Very high90Very high15 Ų1554.5 Ų54.59%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-112.7118.5175.8-1730000109W14 I18 M22 R48 L49 M91W14-V84 HydrophobicContact CH2-CG1 3.74Å; W14-V84 HydrophobicContact CZ2-CG1 4.05Å; I18-V84 HydrophobicContact CG2-CG1 4.29Å; I18-V84 HydrophobicContact CG2-CG2 4.47Å; M22-V84 HydrophobicContact CE-CG2 3.38Å; R48-V84 CarbonylContact C-O 3.55Å; R48-V84 VanDerWaalsContact CA-O 3.29Å; R48-V84 WeakPolarHBondContact CA-O 3.47Å; R48-V84 WeakPolarHBondContact CB-O 3.29Å; L49-V84 HydrophobicContact CB-CB 4.23Å; L49-V84 PolarHBondContact N-O 3.34Å; L49-V84 PolarHBondContact O-N 3.13Å; V84-M91 HydrophobicContact CG2-CB 4.33Å; V84-M91 HydrophobicContact CG2-CG 3.96Å; V84-M91 HydrophobicContact CG2-SD 4.09Å
85D93.3Very high91.1Very high30 Ų3053.2 Ų53.216%0.1627%0.267CS..EExtended strand (participates in β ladder)trans-103.8108.4173.8-170.3-36.8000109.3R48 E87 V88 K89 K90R48-D85 WeakPolarHBondContact CD-OD2 3.14Å; R48-D85 HydrophobicContact CG-CB 4.04Å; D85-E87 PolarHBondContact OD1-N 3.21Å; D85-V88 HydrophobicContact CB-CB 4.42Å; D85-V88 PolarHBondContact OD1-N 3.05Å; D85-K89 VanDerWaalsContact O-CA 3.29Å; D85-K89 WeakPolarHBondContact O-CA 3.44Å; D85-K89 PolarHBondContact O-N 3.41Å; D85-K90 PolarHBondContact N-O 2.96Å; D85-K90 PolarHBondContact O-N 2.71Å
86P88.8Confident91.8Very high77 Ų7751 Ų5150%0.526%0.26SS..THydrogen-bonded Turntrans-76.4-23.6-179.831-34.4000113.4
87E88.6Confident92.1Very high168 Ų16851.3 Ų51.379%0.78526%0.261SS*.THydrogen-bonded Turntrans-75.8-46.7-179.9-65.1-162.6158.300110.7D85 K89D85-E87 PolarHBondContact OD1-N 3.21Å; E87-K89 VanDerWaalsContact C-N 3.28Å
88V89.5Confident92.1Very high98 Ų9851 Ų5159%0.59427%0.265SS*.THydrogen-bonded Turntrans-82.2-10.4178-174.50000111.7D85 K90D85-V88 HydrophobicContact CB-CB 4.42Å; D85-V88 PolarHBondContact OD1-N 3.05Å; V88-K90 HydrophobicContact CB-CB 4.44Å; V88-K90 HydrophobicContact CG1-CB 4.18Å
89K91.1Very high91.7Very high85 Ų8551 Ų5137%0.3727%0.265SS..THydrogen-bonded Turntrans51.854.4-171.8-61.2-169.9178.6-156.70111.5W14 E15 D85 E87 P114W14-K89 HydrophobicContact CD2-CB 3.99Å; W14-K89 HydrophobicContact CE3-CB 4.04Å; W14-K89 HydrophobicContact CE3-CG 4.27Å; W14-K89 HydrophobicContact CG-CB 4.45Å; W14-K89 VanDerWaalsContact CZ2-C 3.42Å; W14-K89 HydrophobicContact CZ3-CB 4.34Å; W14-K89 HydrophobicContact CZ3-CG 4.43Å; W14-K89 PolarHBondContact NE1-O 3.01Å; W14-K89 VanDerWaalsContact NE1-O 3.12Å; E15-K89 WeakPolarHBondContact OE1-CE 3.46Å; E15-K89 IonicContact OE1-NZ 3.86Å; E15-K89 PolarHBondContact OE1-NZ 2.97Å; D85-K89 VanDerWaalsContact O-CA 3.29Å; D85-K89 WeakPolarHBondContact O-CA 3.44Å; D85-K89 PolarHBondContact O-N 3.41Å; E87-K89 VanDerWaalsContact C-N 3.28Å; K89-P114 HydrophobicContact CB-CG 4.11Å; K89-P114 WeakPolarHBondContact O-CD 3.41Å
90K93.5Very high90.8Very high67 Ų6747.7 Ų47.729%0.29125%0.252SS..EExtended strand (participates in β ladder)trans-130.3130-178.1-174.6176.3179.2-164.60110D85 V88 E92 V111 Y112 T113D85-K90 PolarHBondContact N-O 2.96Å; D85-K90 PolarHBondContact O-N 2.71Å; V88-K90 HydrophobicContact CB-CB 4.44Å; V88-K90 HydrophobicContact CG1-CB 4.18Å; K90-E92 WeakPolarHBondContact CE-OE1 3.3Å; K90-E92 HydrophobicContact CG-CG 4.4Å; K90-E92 IonicContact NZ-OE1 3.8Å; K90-E92 PolarHBondContact NZ-OE1 3.39Å; K90-V111 HydrophobicContact CG-CG1 4.33Å; K90-Y112 WeakPolarHBondContact CA-O 3.46Å; K90-T113 HydrophobicContact CB-CG2 4.37Å; K90-T113 HydrophobicContact CD-CG2 4.26Å; K90-T113 HydrophobicContact CG-CG2 3.86Å
91M94Very high90.2Very high0 Ų049.7 Ų49.70%027%0.265CS..EExtended strand (participates in β ladder)trans-116.4125.4169.6172.6176.9172.800109.1W14 I18 M22 I83 V84 L93 V111 Y112W14-M91 HydrophobicContact CZ2-CB 4.27Å; I18-M91 HydrophobicContact CB-SD 4.37Å; I18-M91 HydrophobicContact CD1-CB 3.65Å; I18-M91 HydrophobicContact CD1-CG 4.26Å; I18-M91 HydrophobicContact CD1-SD 3.71Å; I18-M91 HydrophobicContact CG1-CB 4.11Å; I18-M91 HydrophobicContact CG1-SD 4.2Å; I18-M91 HydrophobicContact CG2-SD 3.76Å; M22-M91 HydrophobicContact CE-CE 3.49Å; M22-M91 VanDerWaalsContact CE-CE 3.49Å; M22-M91 HydrophobicContact CE-SD 3.9Å; M22-M91 HydrophobicContact SD-CE 4.29Å; I83-M91 CarbonylContact O-C 3.3Å; I83-M91 WeakPolarHBondContact O-CA 3.2Å; V84-M91 HydrophobicContact CG2-CB 4.33Å; V84-M91 HydrophobicContact CG2-CG 3.96Å; V84-M91 HydrophobicContact CG2-SD 4.09Å; M91-L93 HydrophobicContact CE-CB 4.31Å; M91-L93 HydrophobicContact CE-CD1 3.75Å; M91-V111 CarbonylContact O-C 2.97Å; M91-V111 WeakPolarHBondContact O-CA 3.29Å; M91-Y112 HydrophobicContact CB-CD2 4.29Å; M91-Y112 HydrophobicContact CG-CD2 4.16Å; M91-Y112 PolarHBondContact N-O 2.84Å; M91-Y112 PolarHBondContact O-N 2.74Å; M91-Y112 HydrophobicContact SD-CD2 4.35Å
92E94.5Very high89.3Confident61 Ų6152.9 Ų52.929%0.28528%0.284SS..EExtended strand (participates in β ladder)trans-108.8138.2170.6-61.2-168.5172.800109.3S82 I83 K90 L110 V111S82-E92 CarbonylContact C-O 3.56Å; S82-E92 WeakPolarHBondContact CA-O 3.47Å; I83-E92 PolarHBondContact N-O 2.89Å; I83-E92 PolarHBondContact O-N 2.83Å; K90-E92 WeakPolarHBondContact CE-OE1 3.3Å; K90-E92 HydrophobicContact CG-CG 4.4Å; K90-E92 IonicContact NZ-OE1 3.8Å; K90-E92 PolarHBondContact NZ-OE1 3.39Å; E92-L110 CarbonylContact C-O 3.51Å; E92-L110 WeakPolarHBondContact CA-O 3.27Å; E92-V111 HydrophobicContact CG-CG1 4.46Å; E92-V111 HydrophobicContact CG-CG2 4.32Å
93L94Very high88.4Confident10 Ų1053.5 Ų53.55%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-135.6124.7177-175.1151.4000108.6E80 H81 M91 S95 R109 L110E80-L93 HydrophobicContact CG-CD1 4.07Å; E80-L93 HydrophobicContact CG-CD2 3.81Å; E80-L93 HydrophobicContact CG-CG 3.8Å; H81-L93 CarbonylContact O-C 3.51Å; H81-L93 WeakPolarHBondContact O-CA 3.4Å; M91-L93 HydrophobicContact CE-CB 4.31Å; M91-L93 HydrophobicContact CE-CD1 3.75Å; L93-S95 WeakPolarHBondContact CD2-OG 3.36Å; L93-R109 CarbonylContact O-C 3.51Å; L93-R109 WeakPolarHBondContact O-CA 3.32Å; L93-L110 HydrophobicContact CB-CB 4.32Å; L93-L110 HydrophobicContact CD2-CD1 3.92Å; L93-L110 PolarHBondContact N-O 3.14Å; L93-L110 PolarHBondContact O-N 3.27Å
94S93.6Very high87.6Confident46 Ų4652.2 Ų52.232%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-119.6123.4179.8-60.60000109.3E80 H81 E108E80-S94 CarbonylContact C-O 3.57Å; E80-S94 WeakPolarHBondContact CA-O 3.37Å; H81-S94 PolarHBondContact N-O 3.22Å; H81-S94 PolarHBondContact O-N 3.46Å; S94-E108 CarbonylContact C-O 3.56Å; S94-E108 VanDerWaalsContact CA-O 3.31Å; S94-E108 WeakPolarHBondContact CA-O 3.42Å
95S92.1Very high87.2Confident12 Ų1252.3 Ų52.38%0.08428%0.282CS..EExtended strand (participates in β ladder)trans-121.9127.3-177.7-68.30000110.5K79 E80 L93 E108K79-S95 CarbonylContact O-C 3.57Å; K79-S95 WeakPolarHBondContact O-CA 3.18Å; E80-S95 WeakPolarHBondContact CG-OG 3.49Å; E80-S95 PolarHBondContact OE2-OG 3.16Å; L93-S95 WeakPolarHBondContact CD2-OG 3.36Å; S95-E108 PolarHBondContact N-O 2.91Å; S95-E108 PolarHBondContact O-N 2.86Å
96T90.9Very high86.8Confident41 Ų4152.1 Ų52.125%0.25228%0.282SS..EExtended strand (participates in β ladder)trans-131134.3178.3-56.30000109.7K79 V106 D107K79-T96 PolarHBondContact N-O 2.91Å; K79-T96 PolarHBondContact O-N 3.07Å; T96-V106 WeakPolarHBondContact CA-O 3.11Å; T96-D107 WeakPolarHBondContact CB-OD1 3.31Å; T96-D107 WeakPolarHBondContact CG2-OD1 3.39Å; T96-D107 PolarHBondContact OG1-OD1 3.4Å
97N88.1Confident86.9Confident24 Ų2451.2 Ų51.213%0.12827%0.273CS..EExtended strand (participates in β ladder)trans-68.2137.4173.467.6-64.1000111.3T99 T101 I104 S105 V106N97-T99 PolarHBondContact ND2-O 2.59Å; N97-T101 WeakPolarHBondContact O-CG2 3.39Å; N97-I104 PolarHBondContact ND2-O 2.98Å; N97-S105 WeakPolarHBondContact OD1-CA 3.43Å; N97-V106 PolarHBondContact N-O 2.77Å; N97-V106 PolarHBondContact OD1-N 3.41Å; N97-V106 PolarHBondContact OD1-O 2.61Å
98I86.9Confident87Confident85 Ų8545.5 Ų45.544%0.43625%0.246SC..  trans-91.4-46.4174.2-56.6174.4000109.4L54 Y77 K79 T101L54-I98 HydrophobicContact CD1-CD1 3.64Å; Y77-I98 PolarHBondContact O-N 3.01Å; K79-I98 HydrophobicContact CB-CD1 3.91Å; K79-I98 HydrophobicContact CB-CG1 3.87Å; I98-T101 WeakPolarHBondContact O-CG2 3.36Å; I98-T101 PolarHBondContact O-OG1 2.91Å
99T81Confident87.2Confident34 Ų3446.5 Ų46.521%0.20924%0.239CC..THydrogen-bonded Turntrans-75.8144.8178.349.30000111T76 Y77 N97 T101T76-T99 VanDerWaalsContact CA-OG1 3.26Å; T76-T99 WeakPolarHBondContact CA-OG1 3.19Å; T76-T99 VanDerWaalsContact CB-OG1 3.26Å; T76-T99 WeakPolarHBondContact CB-OG1 3.37Å; Y77-T99 HydrophobicContact CD2-CG2 3.54Å; Y77-T99 HydrophobicContact CE2-CG2 4.47Å; Y77-T99 HydrophobicContact CG-CG2 4.26Å; Y77-T99 PolarHBondContact N-OG1 2.63Å; Y77-T99 PolarHBondContact O-N 2.82Å; Y77-T99 PolarHBondContact O-OG1 2.94Å; N97-T99 PolarHBondContact ND2-O 2.59Å; T99-T101 PolarHBondContact O-N 2.88Å
100L75.6Confident87.3Confident42 Ų4242.8 Ų42.822%0.2222%0.224CC..THydrogen-bonded Turntrans67.314.1174.7-48-178.7000115.8L61 L69 T76 N102 L103 I104L61-L100 HydrophobicContact CD1-CD1 4.08Å; L61-L100 HydrophobicContact CD2-CD1 3.69Å; L69-L100 HydrophobicContact CD1-CD1 3.75Å; L69-L100 HydrophobicContact CD1-CD2 3.34Å; L69-L100 HydrophobicContact CD1-CG 4.15Å; L69-L100 HydrophobicContact CD2-CD2 3.76Å; L69-L100 HydrophobicContact CG-CD2 4.19Å; T76-L100 HydrophobicContact CG2-CD1 4.21Å; L100-N102 WeakPolarHBondContact CA-OD1 3.42Å; L100-N102 PolarHBondContact O-N 3.47Å; L100-N102 VanDerWaalsContact O-N 3.12Å; L100-N102 PolarHBondContact O-OD1 2.85Å; L100-L103 PolarHBondContact O-N 3.49Å; L100-I104 CarbonylContact C-O 3.59Å; L100-I104 PolarHBondContact O-N 3Å
101T80.5Confident87.4Confident57 Ų5740.7 Ų40.735%0.3522%0.216SC..THydrogen-bonded Turntrans-59.9-20.6177.3480000114.1N97 I98 T99 L103 I104N97-T101 WeakPolarHBondContact O-CG2 3.39Å; I98-T101 WeakPolarHBondContact O-CG2 3.36Å; I98-T101 PolarHBondContact O-OG1 2.91Å; T99-T101 PolarHBondContact O-N 2.88Å; T101-L103 VanDerWaalsContact C-N 3.29Å; T101-I104 WeakPolarHBondContact CA-O 3.37Å
102N75.3Confident87.4Confident117 Ų11740.9 Ų40.963%0.62622%0.217SC*.THydrogen-bonded Turntrans-68.1-27.4171.863.4-41.6000112.9L100L100-N102 WeakPolarHBondContact CA-OD1 3.42Å; L100-N102 PolarHBondContact O-N 3.47Å; L100-N102 VanDerWaalsContact O-N 3.12Å; L100-N102 PolarHBondContact O-OD1 2.85Å
103L76.2Confident87.4Confident13 Ų1340 Ų407%0.06822%0.216CC..THydrogen-bonded Turntrans-106.8-48.8-179.6-172.570.8000111.7V65 I68 L69 L100 T101 V132 K133 V135V65-L103 HydrophobicContact CG1-CD2 4.09Å; I68-L103 HydrophobicContact CG2-CD1 4.12Å; I68-L103 HydrophobicContact CG2-CD2 4.3Å; L69-L103 HydrophobicContact CD2-CD2 4.31Å; L69-L103 HydrophobicContact CG-CD2 4.35Å; L100-L103 PolarHBondContact O-N 3.49Å; T101-L103 VanDerWaalsContact C-N 3.29Å; L103-V132 WeakPolarHBondContact O-CA 3.32Å; L103-K133 PolarHBondContact O-N 2.75Å; L103-V135 HydrophobicContact CD1-CG1 3.78Å
104I78.6Confident87.3Confident14 Ų1441.4 Ų41.47%0.07223%0.226CC..EExtended strand (participates in β ladder)trans-137.9124.9-175.5-50-177.9000109.2N97 L100 T101 V106 I130 T131 V132 M145N97-I104 PolarHBondContact ND2-O 2.98Å; L100-I104 CarbonylContact C-O 3.59Å; L100-I104 PolarHBondContact O-N 3Å; T101-I104 WeakPolarHBondContact CA-O 3.37Å; I104-V106 HydrophobicContact CG2-CG2 4Å; I104-I130 HydrophobicContact CG2-CG2 4.36Å; I104-T131 WeakPolarHBondContact CA-O 3.33Å; I104-V132 HydrophobicContact CG1-CG2 4.31Å; I104-V132 HydrophobicContact CG2-CG2 4.35Å; I104-M145 HydrophobicContact CD1-CG 4.5Å; I104-M145 HydrophobicContact CD1-SD 4.5Å; I104-M145 HydrophobicContact CG2-CE 4.35Å
105S84.9Confident87.1Confident18 Ų1841.8 Ų41.813%0.12622%0.222CC..EExtended strand (participates in β ladder)trans-106.4129166.7-158.20000108.5N97 D107 T131N97-S105 WeakPolarHBondContact OD1-CA 3.43Å; S105-D107 PolarHBondContact OG-OD2 2.81Å; S105-T131 PolarHBondContact N-O 2.84Å; S105-T131 PolarHBondContact O-N 2.86Å
106V85.6Confident86.8Confident25 Ų2547 Ų4715%0.15226%0.256CS..EExtended strand (participates in β ladder)trans-122.4116.2172.7-177.90000106.4T96 N97 I104 I129 I130 M145 M149T96-V106 WeakPolarHBondContact CA-O 3.11Å; N97-V106 PolarHBondContact N-O 2.77Å; N97-V106 PolarHBondContact OD1-N 3.41Å; N97-V106 PolarHBondContact OD1-O 2.61Å; I104-V106 HydrophobicContact CG2-CG2 4Å; V106-I129 WeakPolarHBondContact CA-O 2.96Å; V106-I130 HydrophobicContact CG2-CG2 4.47Å; V106-M145 HydrophobicContact CG2-CE 4Å; V106-M149 HydrophobicContact CG1-CE 3.84Å; V106-M149 HydrophobicContact CG1-SD 3.64Å
107D89.9Confident86.6Confident59 Ų5953.3 Ų53.332%0.31628%0.283SS..EExtended strand (participates in β ladder)trans-115.4109.1176.2-66.4-77.1000107.4T96 S105 A128 I129T96-D107 WeakPolarHBondContact CB-OD1 3.31Å; T96-D107 WeakPolarHBondContact CG2-OD1 3.39Å; T96-D107 PolarHBondContact OG1-OD1 3.4Å; S105-D107 PolarHBondContact OG-OD2 2.81Å; D107-A128 CarbonylContact O-C 3.6Å; D107-A128 WeakPolarHBondContact O-CA 3.48Å; D107-I129 HydrophobicContact CB-CB 4.46Å; D107-I129 PolarHBondContact N-O 2.75Å; D107-I129 PolarHBondContact O-N 2.79Å
108E91.4Very high86.5Confident48 Ų4855.6 Ų55.622%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-106.9136.2-179.7-161.1-173.4-176.600109.8S94 S95 L110 Q126 E127 A128 M149S94-E108 CarbonylContact C-O 3.56Å; S94-E108 VanDerWaalsContact CA-O 3.31Å; S94-E108 WeakPolarHBondContact CA-O 3.42Å; S95-E108 PolarHBondContact N-O 2.91Å; S95-E108 PolarHBondContact O-N 2.86Å; E108-L110 HydrophobicContact CB-CD1 4.4Å; E108-L110 HydrophobicContact CG-CD1 3.62Å; E108-Q126 PolarHBondContact OE1-NE2 2.87Å; E108-E127 CarbonylContact C-O 3.56Å; E108-E127 WeakPolarHBondContact CA-O 3.26Å; E108-E127 WeakPolarHBondContact CG-O 3.26Å; E108-A128 HydrophobicContact CG-CB 4.34Å; E108-M149 HydrophobicContact CB-CE 4.28Å; E108-M149 HydrophobicContact CG-CE 3.97Å
109R93.6Very high86.3Confident118 Ų11855.8 Ų55.845%0.44530%0.301SS..EExtended strand (participates in β ladder)trans-127.3124.1176.2-176.117274157.62.5109.3L93 V111 Q126 E127L93-R109 CarbonylContact O-C 3.51Å; L93-R109 WeakPolarHBondContact O-CA 3.32Å; R109-V111 HydrophobicContact CG-CG2 4.37Å; R109-Q126 CarbonylContact O-C 3.59Å; R109-Q126 WeakPolarHBondContact O-CA 3.32Å; R109-E127 IonicContact CZ-OE2 2.64Å; R109-E127 PolarHBondContact N-O 3.31Å; R109-E127 IonicContact NE-OE2 3.77Å; R109-E127 PolarHBondContact NE-OE2 2.83Å; R109-E127 IonicContact NH2-OE1 2.83Å; R109-E127 IonicContact NH2-OE2 2.94Å; R109-E127 PolarHBondContact NH2-OE2 2.83Å; R109-E127 PolarHBondContact O-N 2.76Å
110L94.1Very high86.7Confident8 Ų859.8 Ų59.84%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-117.8135.7176.8-66.277.8000108.4E92 L93 E108 Y112 L124 T125 Q126E92-L110 CarbonylContact C-O 3.51Å; E92-L110 WeakPolarHBondContact CA-O 3.27Å; L93-L110 HydrophobicContact CB-CB 4.32Å; L93-L110 HydrophobicContact CD2-CD1 3.92Å; L93-L110 PolarHBondContact N-O 3.14Å; L93-L110 PolarHBondContact O-N 3.27Å; E108-L110 HydrophobicContact CB-CD1 4.4Å; E108-L110 HydrophobicContact CG-CD1 3.62Å; L110-Y112 HydrophobicContact CB-CE2 4.01Å; L110-Y112 HydrophobicContact CD2-CE2 4.37Å; L110-L124 HydrophobicContact CB-CD1 3.97Å; L110-L124 HydrophobicContact CD2-CD1 4.25Å; L110-L124 HydrophobicContact CG-CD1 4.38Å; L110-T125 CarbonylContact C-O 3.5Å; L110-T125 WeakPolarHBondContact CA-O 3.42Å; L110-Q126 HydrophobicContact CD2-CG 4.15Å; L110-Q126 VanDerWaalsContact CD2-NE2 3.35Å; L110-Q126 HydrophobicContact CG-CB 4.36Å; L110-Q126 HydrophobicContact CG-CG 3.88Å
111V95.1Very high87.4Confident22 Ų2258.9 Ų58.913%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-129.7122.1177.6-176.30000108.4K90 M91 E92 R109 T113 L124 T125K90-V111 HydrophobicContact CG-CG1 4.33Å; M91-V111 CarbonylContact O-C 2.97Å; M91-V111 WeakPolarHBondContact O-CA 3.29Å; E92-V111 HydrophobicContact CG-CG1 4.46Å; E92-V111 HydrophobicContact CG-CG2 4.32Å; R109-V111 HydrophobicContact CG-CG2 4.37Å; V111-T113 HydrophobicContact CG1-CG2 4.1Å; V111-L124 WeakPolarHBondContact O-CA 3.44Å; V111-T125 PolarHBondContact N-O 2.84Å; V111-T125 PolarHBondContact O-N 2.8Å
112Y93.8Very high88Confident4 Ų456.1 Ų56.12%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-108.6120.7176.9-59.6-99.5000109.2F10 W14 V17 I18 K90 M91 L110 T122 V123 L124 I160F10-Y112 HydrophobicContact CE2-CE1 4.17Å; W14-Y112 PolarHBondContact NE1-O 2.94Å; V17-Y112 HydrophobicContact CG1-CD1 3.85Å; V17-Y112 HydrophobicContact CG1-CE1 4.04Å; I18-Y112 HydrophobicContact CD1-CD1 4.26Å; I18-Y112 HydrophobicContact CD1-CD2 4.4Å; I18-Y112 HydrophobicContact CD1-CG 3.86Å; K90-Y112 WeakPolarHBondContact CA-O 3.46Å; M91-Y112 HydrophobicContact CB-CD2 4.29Å; M91-Y112 HydrophobicContact CG-CD2 4.16Å; M91-Y112 PolarHBondContact N-O 2.84Å; M91-Y112 PolarHBondContact O-N 2.74Å; M91-Y112 HydrophobicContact SD-CD2 4.35Å; L110-Y112 HydrophobicContact CB-CE2 4.01Å; L110-Y112 HydrophobicContact CD2-CE2 4.37Å; Y112-T122 HydrophobicContact CD1-CG2 4.45Å; Y112-V123 WeakPolarHBondContact CA-O 3.33Å; Y112-L124 HydrophobicContact CD1-CB 4.09Å; Y112-L124 HydrophobicContact CD1-CD1 3.85Å; Y112-L124 HydrophobicContact CD1-CG 4.38Å; Y112-L124 HydrophobicContact CD2-CD1 4.09Å; Y112-L124 HydrophobicContact CE1-CB 4.13Å; Y112-L124 HydrophobicContact CE1-CD1 3.59Å; Y112-L124 HydrophobicContact CE1-CD2 3.84Å; Y112-L124 HydrophobicContact CE1-CG 4.04Å; Y112-L124 HydrophobicContact CE2-CD1 3.82Å; Y112-L124 HydrophobicContact CG-CD1 4.09Å; Y112-I160 HydrophobicContact CE1-CD1 4.22Å
113T93.6Very high88.9Confident43 Ų4351.1 Ų51.126%0.26427%0.271SS..EExtended strand (participates in β ladder)trans-136.3145.8178.448.80000110.4K90 V111 V123K90-T113 HydrophobicContact CB-CG2 4.37Å; K90-T113 HydrophobicContact CD-CG2 4.26Å; K90-T113 HydrophobicContact CG-CG2 3.86Å; V111-T113 HydrophobicContact CG1-CG2 4.1Å; T113-V123 PolarHBondContact N-O 2.88Å; T113-V123 PolarHBondContact O-N 2.81Å
114P93.1Very high89.7Confident39 Ų3950.5 Ų50.525%0.25327%0.268SS..EExtended strand (participates in β ladder)trans-61.1148.5169.927.6-35.1000110.5W14 K89W14-P114 HydrophobicContact CB-CB 4.45Å; K89-P114 HydrophobicContact CB-CG 4.11Å; K89-P114 WeakPolarHBondContact O-CD 3.41Å
115H88.9Confident90.4Very high54 Ų5451.8 Ų51.825%0.2528%0.276CS..  trans-67.3132.6176.1-171.5-82.6000109.7E117 N118 V121 V123H115-E117 PolarHBondContact ND1-N 2.84Å; H115-E117 PolarHBondContact O-N 3.28Å; H115-E117 VanDerWaalsContact O-N 3.16Å; H115-N118 WeakPolarHBondContact CB-O 3.37Å; H115-N118 PolarHBondContact ND1-N 2.79Å; H115-N118 CarbonylContact O-C 3.59Å; H115-N118 PolarHBondContact O-N 3.36Å; H115-V121 HydrophobicContact CB-CB 3.98Å; H115-V121 HydrophobicContact CB-CG1 4.09Å; H115-V121 PolarHBondContact N-O 3Å; H115-V123 HydrophobicContact CB-CG2 4.04Å
116P85Confident90.8Very high123 Ų12351.2 Ų51.280%0.79927%0.271SS*.SBendtrans-61-30.6-172.922.4-33.7000113.5
117E87.1Confident91.1Very high173 Ų17353 Ų5381%0.80828%0.278SS*.SBendtrans-97.5-18179.8-55.6-177.8160.300113.7H115H115-E117 PolarHBondContact ND1-N 2.84Å; H115-E117 PolarHBondContact O-N 3.28Å; H115-E117 VanDerWaalsContact O-N 3.16Å
118N87.1Confident91Very high71 Ų7150.2 Ų50.238%0.3826%0.263SS..  trans-141.897-174.8-171-1.9000111.4H115 E120 V121H115-N118 WeakPolarHBondContact CB-O 3.37Å; H115-N118 PolarHBondContact ND1-N 2.79Å; H115-N118 CarbonylContact O-C 3.59Å; H115-N118 PolarHBondContact O-N 3.36Å; N118-E120 PolarHBondContact O-N 3.38Å; N118-E120 WeakPolarHBondContact OD1-CB 3.49Å; N118-E120 PolarHBondContact OD1-N 2.99Å; N118-V121 HydrophobicContact CB-CB 4.46Å; N118-V121 HydrophobicContact CB-CG2 4.32Å; N118-V121 WeakPolarHBondContact ND2-CG2 3.45Å; N118-V121 PolarHBondContact O-N 3.12Å; N118-V121 VanDerWaalsContact O-N 3.07Å
119P82.1Confident90.8Very high89 Ų8951.1 Ų51.158%0.57827%0.269SS*.THydrogen-bonded Turntrans-60.6-19.1-178.4-24.334.7000115.1V121P119-V121 PolarHBondContact O-N 3.14Å
120E88.3Confident90.4Very high119 Ų11945.5 Ų45.556%0.55625%0.247SC*.THydrogen-bonded Turntrans-78.71.3178.3-59.1-60.3121.100113.1Y12 N118Y12-E120 CarbonylContact C-O 3.57Å; Y12-E120 WeakPolarHBondContact CA-O 3.33Å; Y12-E120 PolarHBondContact N-O 3.23Å; N118-E120 PolarHBondContact O-N 3.38Å; N118-E120 WeakPolarHBondContact OD1-CB 3.49Å; N118-E120 PolarHBondContact OD1-N 2.99Å
121V91.5Very high89.9Confident22 Ų2246.7 Ų46.713%0.13326%0.255CS..  trans-125.6138.1-176175.80000109.1I9 F10 H115 N118 P119I9-V121 HydrophobicContact CG2-CG1 3.16Å; F10-V121 WeakPolarHBondContact O-CA 3.25Å; F10-V121 WeakPolarHBondContact O-CG1 3.42Å; H115-V121 HydrophobicContact CB-CB 3.98Å; H115-V121 HydrophobicContact CB-CG1 4.09Å; H115-V121 PolarHBondContact N-O 3Å; N118-V121 HydrophobicContact CB-CB 4.46Å; N118-V121 HydrophobicContact CB-CG2 4.32Å; N118-V121 WeakPolarHBondContact ND2-CG2 3.45Å; N118-V121 PolarHBondContact O-N 3.12Å; N118-V121 VanDerWaalsContact O-N 3.07Å; P119-V121 PolarHBondContact O-N 3.14Å
122T92.8Very high89.2Confident0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-111.8127.5177.9-55.10000110.5F10 Y12 W14 V17 Y112F10-T122 PolarHBondContact N-O 3.47Å; F10-T122 PolarHBondContact O-N 3.25Å; Y12-T122 PolarHBondContact O-N 2.97Å; Y12-T122 PolarHBondContact O-OG1 2.86Å; W14-T122 WeakPolarHBondContact CA-OG1 3.45Å; W14-T122 PolarHBondContact N-OG1 2.8Å; W14-T122 VanDerWaalsContact N-OG1 3.16Å; V17-T122 HydrophobicContact CB-CG2 4.25Å; V17-T122 HydrophobicContact CG1-CG2 4.15Å; V17-T122 HydrophobicContact CG2-CG2 4.37Å; Y112-T122 HydrophobicContact CD1-CG2 4.45Å
123V93.9Very high88.5Confident12 Ų1251.3 Ų51.37%0.07328%0.275CS..EExtended strand (participates in β ladder)trans-92.5125.6172.1-175.10000108.6E7 Y112 T113 H115E7-V123 HydrophobicContact CG-CG1 3.74Å; Y112-V123 WeakPolarHBondContact CA-O 3.33Å; T113-V123 PolarHBondContact N-O 2.88Å; T113-V123 PolarHBondContact O-N 2.81Å; H115-V123 HydrophobicContact CB-CG2 4.04Å
124L93.8Very high87.2Confident0 Ų053.5 Ų53.50%031%0.306CS..EExtended strand (participates in β ladder)trans-107114.4170.4167.559000108.8E7 H8 F10 L110 V111 Y112 Q126E7-L124 CarbonylContact C-O 3.59Å; E7-L124 WeakPolarHBondContact CA-O 3.38Å; H8-L124 HydrophobicContact CB-CB 4.49Å; H8-L124 PolarHBondContact N-O 2.95Å; H8-L124 PolarHBondContact O-N 2.97Å; F10-L124 HydrophobicContact CD2-CB 4.19Å; F10-L124 HydrophobicContact CE2-CB 3.74Å; F10-L124 HydrophobicContact CE2-CD2 3.65Å; F10-L124 HydrophobicContact CE2-CG 4.33Å; F10-L124 HydrophobicContact CZ-CD2 4.09Å; L110-L124 HydrophobicContact CB-CD1 3.97Å; L110-L124 HydrophobicContact CD2-CD1 4.25Å; L110-L124 HydrophobicContact CG-CD1 4.38Å; V111-L124 WeakPolarHBondContact O-CA 3.44Å; Y112-L124 HydrophobicContact CD1-CB 4.09Å; Y112-L124 HydrophobicContact CD1-CD1 3.85Å; Y112-L124 HydrophobicContact CD1-CG 4.38Å; Y112-L124 HydrophobicContact CD2-CD1 4.09Å; Y112-L124 HydrophobicContact CE1-CB 4.13Å; Y112-L124 HydrophobicContact CE1-CD1 3.59Å; Y112-L124 HydrophobicContact CE1-CD2 3.84Å; Y112-L124 HydrophobicContact CE1-CG 4.04Å; Y112-L124 HydrophobicContact CE2-CD1 3.82Å; Y112-L124 HydrophobicContact CG-CD1 4.09Å; L124-Q126 HydrophobicContact CD1-CG 3.77Å; L124-Q126 HydrophobicContact CD2-CG 3.91Å; L124-Q126 HydrophobicContact CG-CG 3.7Å
125T93.5Very high85.9Confident40 Ų4053.1 Ų53.125%0.24530%0.303CS..EExtended strand (participates in β ladder)trans-97.8124.2167.5-49.10000108.8L110 V111L110-T125 CarbonylContact C-O 3.5Å; L110-T125 WeakPolarHBondContact CA-O 3.42Å; V111-T125 PolarHBondContact N-O 2.84Å; V111-T125 PolarHBondContact O-N 2.8Å
126Q92.3Very high84.7Confident6 Ų656.4 Ų56.43%0.02833%0.332CS..EExtended strand (participates in β ladder)trans-117.2138174.5-50.7-174.2-98.400110.4W4 S5 T6 E108 R109 L110 L124 W157W4-Q126 HydrophobicContact CZ3-CB 4.26Å; S5-Q126 CarbonylContact C-O 3.45Å; S5-Q126 VanDerWaalsContact CA-O 3.25Å; S5-Q126 WeakPolarHBondContact CA-O 3.41Å; T6-Q126 HydrophobicContact CG2-CB 3.96Å; T6-Q126 HydrophobicContact CG2-CG 4.37Å; T6-Q126 PolarHBondContact N-O 3.37Å; T6-Q126 PolarHBondContact O-N 3.38Å; E108-Q126 PolarHBondContact OE1-NE2 2.87Å; R109-Q126 CarbonylContact O-C 3.59Å; R109-Q126 WeakPolarHBondContact O-CA 3.32Å; L110-Q126 HydrophobicContact CD2-CG 4.15Å; L110-Q126 VanDerWaalsContact CD2-NE2 3.35Å; L110-Q126 HydrophobicContact CG-CB 4.36Å; L110-Q126 HydrophobicContact CG-CG 3.88Å; L124-Q126 HydrophobicContact CD1-CG 3.77Å; L124-Q126 HydrophobicContact CD2-CG 3.91Å; L124-Q126 HydrophobicContact CG-CG 3.7Å; Q126-W157 VanDerWaalsContact OE1-CE2 3.24Å; Q126-W157 VanDerWaalsContact OE1-CZ2 3.31Å
127E91.6Very high83.9Confident63 Ų6354.9 Ų54.929%0.29432%0.317SS..EExtended strand (participates in β ladder)trans-134.2142.7177.1-62.7176.4146.700108.8W4 E108 R109W4-E127 CarbonylContact O-C 3.54Å; W4-E127 WeakPolarHBondContact O-CA 3.35Å; E108-E127 CarbonylContact C-O 3.56Å; E108-E127 WeakPolarHBondContact CA-O 3.26Å; E108-E127 WeakPolarHBondContact CG-O 3.26Å; R109-E127 IonicContact CZ-OE2 2.64Å; R109-E127 PolarHBondContact N-O 3.31Å; R109-E127 IonicContact NE-OE2 3.77Å; R109-E127 PolarHBondContact NE-OE2 2.83Å; R109-E127 IonicContact NH2-OE1 2.83Å; R109-E127 IonicContact NH2-OE2 2.94Å; R109-E127 PolarHBondContact NH2-OE2 2.83Å; R109-E127 PolarHBondContact O-N 2.76Å
128A88.1Confident83.1Confident0 Ų048.7 Ų48.70%029%0.293CS..EExtended strand (participates in β ladder)trans-139.7132.9177.900000110.7I3 W4 D107 E108 M149I3-A128 CarbonylContact C-O 3.59Å; I3-A128 WeakPolarHBondContact CA-O 3.41Å; W4-A128 HydrophobicContact CB-CB 4.44Å; W4-A128 HydrophobicContact CE3-CB 4Å; W4-A128 PolarHBondContact N-O 3.4Å; W4-A128 PolarHBondContact O-N 3.3Å; D107-A128 CarbonylContact O-C 3.6Å; D107-A128 WeakPolarHBondContact O-CA 3.48Å; E108-A128 HydrophobicContact CG-CB 4.34Å; A128-M149 HydrophobicContact CB-CE 3.13Å; A128-M149 HydrophobicContact CB-SD 3.54Å; A128-M149 VanDerWaalsContact CB-SD 3.54Å
129I88.4Confident82.5Confident67 Ų6749.1 Ų49.134%0.34430%0.301SS..EExtended strand (participates in β ladder)trans-112.6116.2176.1-54.6178.4000107.4M1 V106 D107M1-I129 HydrophobicContact CE-CG2 3.99Å; M1-I129 HydrophobicContact CG-CG2 4.06Å; M1-I129 HydrophobicContact SD-CG2 4.32Å; V106-I129 WeakPolarHBondContact CA-O 2.96Å; D107-I129 HydrophobicContact CB-CB 4.46Å; D107-I129 PolarHBondContact N-O 2.75Å; D107-I129 PolarHBondContact O-N 2.79Å
130I85.1Confident82.1Confident0 Ų051.6 Ų51.60%030%0.3CS..EExtended strand (participates in β ladder)trans-108.8122.4179.5-50.9176.5000108.5M1 K2 I104 V106 M145 V146 M149M1-I130 VanDerWaalsContact CA-O 3.29Å; M1-I130 WeakPolarHBondContact CA-O 3.4Å; K2-I130 PolarHBondContact N-O 2.79Å; K2-I130 PolarHBondContact O-N 2.83Å; I104-I130 HydrophobicContact CG2-CG2 4.36Å; V106-I130 HydrophobicContact CG2-CG2 4.47Å; I130-M145 HydrophobicContact CD1-CB 3.87Å; I130-M145 HydrophobicContact CG2-CB 4.08Å; I130-V146 HydrophobicContact CD1-CB 4.43Å; I130-V146 HydrophobicContact CD1-CG2 3.68Å; I130-M149 HydrophobicContact CD1-CG 4.13Å; I130-M149 HydrophobicContact CD1-SD 3.47Å; I130-M149 WeakPolarHBondContact CD1-SD 3.47Å; I130-M149 HydrophobicContact CG1-SD 3.7Å
131T83.3Confident81.4Confident33 Ų3346.3 Ų46.320%0.20228%0.275CS..EExtended strand (participates in β ladder)trans-123.5112.6178.8-58.70000109.8I104 S105 K133I104-T131 WeakPolarHBondContact CA-O 3.33Å; S105-T131 PolarHBondContact N-O 2.84Å; S105-T131 PolarHBondContact O-N 2.86Å; T131-K133 HydrophobicContact CG2-CG 4.23Å
132V80.1Confident80.6Confident17 Ų1746 Ų4610%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-98.3129.8173.4179.10000109.2L103 I104 V135 L141 E142L103-V132 WeakPolarHBondContact O-CA 3.32Å; I104-V132 HydrophobicContact CG1-CG2 4.31Å; I104-V132 HydrophobicContact CG2-CG2 4.35Å; V132-V135 HydrophobicContact CG1-CG2 3.29Å; V132-L141 HydrophobicContact CG1-CD1 4.44Å; V132-L141 HydrophobicContact CG2-CB 4.45Å; V132-E142 HydrophobicContact CB-CG 4.11Å; V132-E142 HydrophobicContact CG2-CG 3.58Å
133K79.1Confident79.8Confident106 Ų10647 Ų4746%0.46128%0.283SS..  trans-114.6142.4-176.7-62.8176.4-175.7168.40110.6L103 T131 V135L103-K133 PolarHBondContact O-N 2.75Å; T131-K133 HydrophobicContact CG2-CG 4.23Å; K133-V135 PolarHBondContact O-N 2.64Å
134G66.4Low79Confident89 Ų8949.6 Ų49.692%0.91830%0.296SS*.SBendtrans74.610.9162.500000117.8
135V66.4Low78.1Confident32 Ų3252 Ų5219%0.19431%0.308CS..  trans-126.8137180-71.90000112.5I68 L103 V132 K133 L137 S138 L141I68-V135 HydrophobicContact CD1-CG1 4.36Å; L103-V135 HydrophobicContact CD1-CG1 3.78Å; V132-V135 HydrophobicContact CG1-CG2 3.29Å; K133-V135 PolarHBondContact O-N 2.64Å; V135-L137 PolarHBondContact O-N 2.94Å; V135-S138 PolarHBondContact O-N 3.1Å; V135-L141 HydrophobicContact CG2-CD1 3.88Å
136S63.3Low77.4Confident122 Ų12251.6 Ų51.685%0.85331%0.305SS*.THydrogen-bonded Turntrans-67.6-15.6179.162.30000113.8
137L67.6Low76.7Confident91 Ų9160.6 Ų60.648%0.47634%0.339SS..THydrogen-bonded Turntrans-99.124.4177.2-65.2171.2000112.9I64 V135 S139 Y140 L141I64-L137 HydrophobicContact CD1-CD1 4.26Å; V135-L137 PolarHBondContact O-N 2.94Å; L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 2.79Å; L137-Y140 PolarHBondContact O-N 3.25Å; L137-L141 PolarHBondContact O-N 2.89Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138S70.5Confident76Confident44 Ų4459.4 Ų59.431%0.30834%0.337SS..Hα-helixtrans-50.8-45.3-175.954.90000112.9V135 Y140 L141 E142V135-S138 PolarHBondContact O-N 3.1Å; S138-Y140 PolarHBondContact O-N 3.28Å; S138-L141 PolarHBondContact O-N 2.84Å; S138-E142 VanDerWaalsContact O-CB 3.26Å; S138-E142 WeakPolarHBondContact O-CB 3.38Å; S138-E142 WeakPolarHBondContact O-CG 3.43Å; S138-E142 PolarHBondContact O-N 3.45Å
139S73.6Confident75.5Confident80 Ų8060 Ų6056%0.55934%0.341SS*.Hα-helixtrans-65.6-35.8-177.663.10000114.4L137 G143L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 2.79Å; S139-G143 PolarHBondContact O-N 3.25Å; S139-G143 VanDerWaalsContact O-N 3.09Å
140Y75.5Confident75Confident141 Ų14159.7 Ų59.755%0.55334%0.344SS*.Hα-helixtrans-72.3-46.9177.8178.3-104.2000111L137 S138 G143 L144L137-Y140 PolarHBondContact O-N 3.25Å; S138-Y140 PolarHBondContact O-N 3.28Å; Y140-G143 PolarHBondContact O-N 3.47Å; Y140-G143 VanDerWaalsContact O-N 3.12Å; Y140-L144 HydrophobicContact CD1-CD1 4.04Å; Y140-L144 HydrophobicContact CE1-CD1 3.45Å; Y140-L144 VanDerWaalsContact CE1-CD1 3.45Å; Y140-L144 HydrophobicContact CE1-CG 4.18Å; Y140-L144 PolarHBondContact O-N 3.31Å
141L72.3Confident74.8Confident7 Ų762 Ų624%0.03736%0.363CS..Hα-helixtrans-63.2-43.4176.5-69.1174.6000111.4I64 V132 V135 L137 S138 G143 L144 M145I64-L141 HydrophobicContact CG2-CD2 3.78Å; V132-L141 HydrophobicContact CG1-CD1 4.44Å; V132-L141 HydrophobicContact CG2-CB 4.45Å; V135-L141 HydrophobicContact CG2-CD1 3.88Å; L137-L141 PolarHBondContact O-N 2.89Å; L137-L141 VanDerWaalsContact O-N 3.13Å; S138-L141 PolarHBondContact O-N 2.84Å; L141-G143 VanDerWaalsContact C-N 3.26Å; L141-G143 PolarHBondContact O-N 2.8Å; L141-L144 PolarHBondContact O-N 3.36Å; L141-M145 VanDerWaalsContact O-CG 3.29Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.78Å
142E75.4Confident74.6Confident17 Ų1762.6 Ų62.68%0.07937%0.365CS..Hα-helixtrans-56-42172.2-76.8175.7167.700111.2M1 K2 V132 S138 M145 V146M1-E142 PolarHBondContact N-OE1 3.46Å; K2-E142 HydrophobicContact CD-CB 3.92Å; K2-E142 HydrophobicContact CG-CB 4.2Å; V132-E142 HydrophobicContact CB-CG 4.11Å; V132-E142 HydrophobicContact CG2-CG 3.58Å; S138-E142 VanDerWaalsContact O-CB 3.26Å; S138-E142 WeakPolarHBondContact O-CB 3.38Å; S138-E142 WeakPolarHBondContact O-CG 3.43Å; S138-E142 PolarHBondContact O-N 3.45Å; E142-M145 PolarHBondContact O-N 3.39Å; E142-V146 VanDerWaalsContact O-CG2 3.31Å; E142-V146 WeakPolarHBondContact O-CG2 3.43Å; E142-V146 PolarHBondContact O-N 3.14Å
143G76.3Confident74.6Confident21 Ų2162 Ų6222%0.21636%0.362CS..Hα-helixtrans-63.6-42.2176.500000113.9S139 Y140 L141 R147S139-G143 PolarHBondContact O-N 3.25Å; S139-G143 VanDerWaalsContact O-N 3.09Å; Y140-G143 PolarHBondContact O-N 3.47Å; Y140-G143 VanDerWaalsContact O-N 3.12Å; L141-G143 VanDerWaalsContact C-N 3.26Å; L141-G143 PolarHBondContact O-N 2.8Å; G143-R147 WeakPolarHBondContact O-CG 3.21Å; G143-R147 PolarHBondContact O-N 3.12Å
144L76.6Confident74.9Confident65 Ų6563.2 Ų63.234%0.3436%0.364SS..Hα-helixtrans-64.8-41.9175.2-72.2176.9000111.6Y140 L141 R147 S148Y140-L144 HydrophobicContact CD1-CD1 4.04Å; Y140-L144 HydrophobicContact CE1-CD1 3.45Å; Y140-L144 VanDerWaalsContact CE1-CD1 3.45Å; Y140-L144 HydrophobicContact CE1-CG 4.18Å; Y140-L144 PolarHBondContact O-N 3.31Å; L141-L144 PolarHBondContact O-N 3.36Å; L144-R147 PolarHBondContact O-N 3.16Å; L144-S148 PolarHBondContact O-N 2.84Å
145M74.9Confident75.8Confident51 Ų5162.6 Ų62.625%0.25134%0.336SS..Hα-helixtrans-66-43.5179.2-68.1-61-69.400111.7I104 V106 I130 L141 E142 R147 S148 M149I104-M145 HydrophobicContact CD1-CG 4.5Å; I104-M145 HydrophobicContact CD1-SD 4.5Å; I104-M145 HydrophobicContact CG2-CE 4.35Å; V106-M145 HydrophobicContact CG2-CE 4Å; I130-M145 HydrophobicContact CD1-CB 3.87Å; I130-M145 HydrophobicContact CG2-CB 4.08Å; L141-M145 VanDerWaalsContact O-CG 3.29Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.78Å; E142-M145 PolarHBondContact O-N 3.39Å; M145-R147 VanDerWaalsContact C-N 3.29Å; M145-R147 PolarHBondContact O-N 3.17Å; M145-S148 WeakPolarHBondContact O-CB 3.43Å; M145-S148 PolarHBondContact O-N 2.84Å; M145-S148 VanDerWaalsContact O-N 3.13Å; M145-M149 WeakPolarHBondContact O-CG 3.5Å; M145-M149 PolarHBondContact O-N 2.98Å
146V78Confident76.6Confident32 Ų3261.3 Ų61.319%0.19433%0.328CS..Hα-helixtrans-57.5-42.8174.5169.90000111.3K2 W4 I130 E142 M149 S150K2-V146 HydrophobicContact CB-CG2 4.17Å; K2-V146 HydrophobicContact CD-CG2 4.04Å; W4-V146 HydrophobicContact CG-CG1 4.42Å; I130-V146 HydrophobicContact CD1-CB 4.43Å; I130-V146 HydrophobicContact CD1-CG2 3.68Å; E142-V146 VanDerWaalsContact O-CG2 3.31Å; E142-V146 WeakPolarHBondContact O-CG2 3.43Å; E142-V146 PolarHBondContact O-N 3.14Å; V146-M149 PolarHBondContact O-N 2.86Å; V146-S150 PolarHBondContact O-N 3.48Å
147R78.6Confident77.8Confident194 Ų19456.8 Ų56.873%0.73229%0.293SS*.Hα-helixtrans-63.2-43176.3-72.9178.4175.9-169.9-1.5112G143 L144 M145 M149 S150 A151G143-R147 WeakPolarHBondContact O-CG 3.21Å; G143-R147 PolarHBondContact O-N 3.12Å; L144-R147 PolarHBondContact O-N 3.16Å; M145-R147 VanDerWaalsContact C-N 3.29Å; M145-R147 PolarHBondContact O-N 3.17Å; R147-M149 VanDerWaalsContact C-N 3.34Å; R147-S150 PolarHBondContact O-N 2.83Å; R147-A151 PolarHBondContact O-N 3.46Å; R147-A151 VanDerWaalsContact O-N 3.07Å
148S77.1Confident78.7Confident38 Ų3855.3 Ų55.327%0.26629%0.285SS..Hα-helixtrans-63.7-39.7176.1-167.70000112L144 M145 A151 N152L144-S148 PolarHBondContact O-N 2.84Å; M145-S148 WeakPolarHBondContact O-CB 3.43Å; M145-S148 PolarHBondContact O-N 2.84Å; M145-S148 VanDerWaalsContact O-N 3.13Å; S148-A151 PolarHBondContact O-N 2.85Å; S148-N152 WeakPolarHBondContact O-CB 3.38Å; S148-N152 PolarHBondContact O-N 2.91Å; S148-N152 PolarHBondContact O-ND2 3.31Å
149M76.3Confident79.4Confident14 Ų1453.2 Ų53.27%0.06927%0.271CS..Hα-helixtrans-65.5-44.3176.7-72.6-159.873.900111.9V106 E108 A128 I130 M145 V146 R147 A151 N152 A153V106-M149 HydrophobicContact CG1-CE 3.84Å; V106-M149 HydrophobicContact CG1-SD 3.64Å; E108-M149 HydrophobicContact CB-CE 4.28Å; E108-M149 HydrophobicContact CG-CE 3.97Å; A128-M149 HydrophobicContact CB-CE 3.13Å; A128-M149 HydrophobicContact CB-SD 3.54Å; A128-M149 VanDerWaalsContact CB-SD 3.54Å; I130-M149 HydrophobicContact CD1-CG 4.13Å; I130-M149 HydrophobicContact CD1-SD 3.47Å; I130-M149 WeakPolarHBondContact CD1-SD 3.47Å; I130-M149 HydrophobicContact CG1-SD 3.7Å; M145-M149 WeakPolarHBondContact O-CG 3.5Å; M145-M149 PolarHBondContact O-N 2.98Å; V146-M149 PolarHBondContact O-N 2.86Å; R147-M149 VanDerWaalsContact C-N 3.34Å; M149-A151 VanDerWaalsContact C-N 3.3Å; M149-A151 PolarHBondContact O-N 2.77Å; M149-N152 CarbonylContact O-C 3.53Å; M149-N152 PolarHBondContact O-N 2.91Å; M149-N152 VanDerWaalsContact O-N 3.13Å; M149-A153 WeakPolarHBondContact O-CB 3.49Å; M149-A153 PolarHBondContact O-N 3.38Å
150S79.6Confident80Confident59 Ų5949.4 Ų49.441%0.41324%0.244SC..Hα-helixtrans-59.4-41.2175176.80000112.1V146 R147 R154V146-S150 PolarHBondContact O-N 3.48Å; R147-S150 PolarHBondContact O-N 2.83Å; S150-R154 PolarHBondContact O-N 2.88Å
151A79.3Confident80.6Confident49 Ų4945.2 Ų45.241%0.40523%0.229SC..Hα-helixtrans-66.6-39.2174.400000112.5R147 S148 M149 R154 K155R147-A151 PolarHBondContact O-N 3.46Å; R147-A151 VanDerWaalsContact O-N 3.07Å; S148-A151 PolarHBondContact O-N 2.85Å; M149-A151 VanDerWaalsContact C-N 3.3Å; M149-A151 PolarHBondContact O-N 2.77Å; A151-R154 PolarHBondContact O-N 3.13Å; A151-K155 WeakPolarHBondContact O-CG 3.27Å; A151-K155 PolarHBondContact O-N 3.34Å; A151-K155 VanDerWaalsContact O-N 3.14Å
152N78.9Confident81.2Confident46 Ų4649.4 Ų49.425%0.24625%0.245CC..Hα-helixtrans-69.8-36178.1-72.6-14.8000112.7W59 S148 M149 R154 K155 G156W59-N152 WeakPolarHBondContact CH2-ND2 3.1Å; W59-N152 WeakPolarHBondContact CH2-OD1 3.49Å; W59-N152 WeakPolarHBondContact CZ2-ND2 3.43Å; S148-N152 WeakPolarHBondContact O-CB 3.38Å; S148-N152 PolarHBondContact O-N 2.91Å; S148-N152 PolarHBondContact O-ND2 3.31Å; M149-N152 CarbonylContact O-C 3.53Å; M149-N152 PolarHBondContact O-N 2.91Å; M149-N152 VanDerWaalsContact O-N 3.13Å; N152-R154 VanDerWaalsContact C-N 3.35Å; N152-K155 PolarHBondContact O-N 2.95Å; N152-G156 PolarHBondContact O-N 3.37Å
153A81.9Confident81.7Confident3 Ų349.2 Ų49.23%0.02525%0.245CC..Hα-helixtrans-61.1-46.1174.100000110.7W4 M149 K155 G156 W157W4-A153 HydrophobicContact CH2-CB 3.39Å; W4-A153 HydrophobicContact CZ2-CB 4.25Å; W4-A153 HydrophobicContact CZ3-CB 4.13Å; M149-A153 WeakPolarHBondContact O-CB 3.49Å; M149-A153 PolarHBondContact O-N 3.38Å; A153-K155 PolarHBondContact O-N 3.43Å; A153-G156 VanDerWaalsContact O-CA 3.32Å; A153-G156 WeakPolarHBondContact O-CA 3.37Å; A153-G156 PolarHBondContact O-N 3.13Å; A153-W157 HydrophobicContact CB-CZ2 4.22Å; A153-W157 PolarHBondContact O-N 2.84Å
154R84.3Confident82.2Confident133 Ų13348.2 Ų48.250%0.50224%0.235SC..Hα-helixtrans-59.6-47.6176.2-174.859.4-176.2-152.45.7112.4S150 A151 N152 G156 W157 D158S150-R154 PolarHBondContact O-N 2.88Å; A151-R154 PolarHBondContact O-N 3.13Å; N152-R154 VanDerWaalsContact C-N 3.35Å; R154-G156 PolarHBondContact O-N 3.07Å; R154-W157 VanDerWaalsContact CD-CE3 3.49Å; R154-W157 PolarHBondContact O-N 2.9Å; R154-W157 VanDerWaalsContact O-N 3.12Å; R154-D158 IonicContact CZ-OD1 3.94Å; R154-D158 IonicContact NE-OD1 3.18Å; R154-D158 PolarHBondContact NE-OD1 3.41Å; R154-D158 IonicContact NE-OD2 3.99Å; R154-D158 IonicContact NH2-OD1 3.38Å; R154-D158 VanDerWaalsContact O-CG 3.3Å; R154-D158 PolarHBondContact O-N 2.98Å
155K85.1Confident82.5Confident76 Ų7650.4 Ų50.433%0.3324%0.243SC..Hα-helixtrans-59.3-31.6173.2-68.6172.8176.9-174.10112.5M29 N30 A151 N152 A153 A159M29-K155 HydrophobicContact CB-CB 4.41Å; N30-K155 PolarHBondContact ND2-O 2.83Å; N30-K155 WeakPolarHBondContact OD1-CB 3.43Å; A151-K155 WeakPolarHBondContact O-CG 3.27Å; A151-K155 PolarHBondContact O-N 3.34Å; A151-K155 VanDerWaalsContact O-N 3.14Å; N152-K155 PolarHBondContact O-N 2.95Å; A153-K155 PolarHBondContact O-N 3.43Å; K155-A159 WeakPolarHBondContact O-CB 3.5Å; K155-A159 PolarHBondContact O-N 2.97Å
156G83.7Confident82.7Confident4 Ų451.8 Ų51.84%0.04125%0.251CS..Hα-helixtrans-65.4-43.2175.500000112.4N152 A153 R154 I160N152-G156 PolarHBondContact O-N 3.37Å; A153-G156 VanDerWaalsContact O-CA 3.32Å; A153-G156 WeakPolarHBondContact O-CA 3.37Å; A153-G156 PolarHBondContact O-N 3.13Å; R154-G156 PolarHBondContact O-N 3.07Å; G156-I160 WeakPolarHBondContact O-CG1 3.29Å; G156-I160 PolarHBondContact O-N 3.05Å
157W88.1Confident82.2Confident28 Ų2852.4 Ų52.411%0.10626%0.257CS..Hα-helixtrans-66.5-49.8175.2-51.3-26.2000111.3T6 H8 F10 Q126 A153 R154 A159 I160 E161T6-W157 HydrophobicContact CG2-CH2 4.14Å; T6-W157 HydrophobicContact CG2-CZ2 3.65Å; H8-W157 HydrophobicContact CB-CD2 3.9Å; H8-W157 HydrophobicContact CB-CE3 4.35Å; H8-W157 HydrophobicContact CB-CG 4.39Å; H8-W157 HydrophobicContact CB-CH2 4.19Å; H8-W157 HydrophobicContact CB-CZ2 3.71Å; H8-W157 HydrophobicContact CB-CZ3 4.49Å; H8-W157 AromaticContact CD2-CD1 3.95Å; H8-W157 AromaticContact CD2-CD2 3.85Å; H8-W157 AromaticContact CD2-CG 3.66Å; H8-W157 AromaticContact CE1-CE3 3.9Å; H8-W157 AromaticContact CG-CD2 3.54Å; H8-W157 AromaticContact CG-CE2 3.74Å; H8-W157 AromaticContact CG-CE3 3.81Å; H8-W157 AromaticContact CG-CG 3.87Å; H8-W157 AromaticContact ND1-CD2 3.77Å; H8-W157 AromaticContact ND1-CE3 3.52Å; H8-W157 AromaticContact ND1-CZ3 3.86Å; F10-W157 HydrophobicContact CE1-CB 4.21Å; F10-W157 HydrophobicContact CZ-CB 4.19Å; F10-W157 AromaticContact CZ-CD1 3.94Å; F10-W157 HydrophobicContact CZ-CG 4.31Å; Q126-W157 VanDerWaalsContact OE1-CE2 3.24Å; Q126-W157 VanDerWaalsContact OE1-CZ2 3.31Å; A153-W157 HydrophobicContact CB-CZ2 4.22Å; A153-W157 PolarHBondContact O-N 2.84Å; R154-W157 VanDerWaalsContact CD-CE3 3.49Å; R154-W157 PolarHBondContact O-N 2.9Å; R154-W157 VanDerWaalsContact O-N 3.12Å; W157-A159 PolarHBondContact O-N 2.98Å; W157-I160 PolarHBondContact O-N 2.94Å; W157-E161 PolarHBondContact O-N 2.92Å
158D86.8Confident81.1Confident59 Ų5950.5 Ų50.532%0.31626%0.257SS..Hα-helixtrans-61.5-32-179.9-60.6-25.1000111.4M29 R154 W162M29-D158 HydrophobicContact CG-CB 4.21Å; R154-D158 IonicContact CZ-OD1 3.94Å; R154-D158 IonicContact NE-OD1 3.18Å; R154-D158 PolarHBondContact NE-OD1 3.41Å; R154-D158 IonicContact NE-OD2 3.99Å; R154-D158 IonicContact NH2-OD1 3.38Å; R154-D158 VanDerWaalsContact O-CG 3.3Å; R154-D158 PolarHBondContact O-N 2.98Å; D158-W162 VanDerWaalsContact O-CB 3.3Å; D158-W162 WeakPolarHBondContact O-CB 3.29Å; D158-W162 PolarHBondContact O-N 3.4Å
159A86Confident79.6Confident0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-68.3-42.4173.800000112.8K24 N27 M29 K155 W157 E161 W162 V163K24-A159 HydrophobicContact CG-CB 4.19Å; N27-A159 HydrophobicContact CB-CB 4.08Å; N27-A159 WeakPolarHBondContact OD1-CB 3.22Å; M29-A159 HydrophobicContact CB-CB 4.31Å; M29-A159 HydrophobicContact CG-CB 4.48Å; K155-A159 WeakPolarHBondContact O-CB 3.5Å; K155-A159 PolarHBondContact O-N 2.97Å; W157-A159 PolarHBondContact O-N 2.98Å; A159-E161 VanDerWaalsContact C-N 3.34Å; A159-W162 PolarHBondContact O-N 3.48Å; A159-V163 WeakPolarHBondContact O-CG2 3.44Å; A159-V163 PolarHBondContact O-N 3.38Å
160I85.9Confident78.1Confident1 Ų156.5 Ų56.51%0.00530%0.301CS..Hα-helixtrans-63.6-45.8176.5-70.8169.4000109.4F10 V17 A20 A21 Y112 G156 W157 W162 V163 I164F10-I160 HydrophobicContact CD1-CG2 4.39Å; F10-I160 HydrophobicContact CE1-CB 4.11Å; F10-I160 HydrophobicContact CE1-CG2 3.91Å; F10-I160 HydrophobicContact CZ-CB 4.27Å; F10-I160 HydrophobicContact CZ-CD1 3.93Å; F10-I160 HydrophobicContact CZ-CG2 4.19Å; V17-I160 HydrophobicContact CG1-CG2 4.33Å; A20-I160 HydrophobicContact CB-CG2 4.03Å; A21-I160 HydrophobicContact CB-CD1 4.3Å; Y112-I160 HydrophobicContact CE1-CD1 4.22Å; G156-I160 WeakPolarHBondContact O-CG1 3.29Å; G156-I160 PolarHBondContact O-N 3.05Å; W157-I160 PolarHBondContact O-N 2.94Å; I160-W162 VanDerWaalsContact C-N 3.32Å; I160-W162 PolarHBondContact O-N 3.46Å; I160-V163 PolarHBondContact O-N 3.48Å; I160-V163 VanDerWaalsContact O-N 3.14Å; I160-I164 HydrophobicContact CG2-CD1 3.85Å; I160-I164 HydrophobicContact CG2-CG1 4.38Å; I160-I164 VanDerWaalsContact O-CG1 3.32Å; I160-I164 WeakPolarHBondContact O-CG1 3.4Å; I160-I164 PolarHBondContact O-N 3.09Å
161E86.9Confident76.3Confident52 Ų5262.1 Ų62.124%0.24333%0.327CS..Hα-helixtrans-55.8-47.5176.4-16766-156.300111.6Y12 W157 A159 V163 I164 Q165Y12-E161 VanDerWaalsContact CE2-OE1 3.27Å; Y12-E161 WeakPolarHBondContact CE2-OE1 3.42Å; Y12-E161 VanDerWaalsContact CE2-OE2 3.29Å; Y12-E161 WeakPolarHBondContact CE2-OE2 3.44Å; Y12-E161 PolarHBondContact OH-OE1 2.79Å; W157-E161 PolarHBondContact O-N 2.92Å; A159-E161 VanDerWaalsContact C-N 3.34Å; E161-V163 PolarHBondContact O-N 3.33Å; E161-I164 PolarHBondContact O-N 3.2Å; E161-Q165 VanDerWaalsContact O-CG 3.32Å; E161-Q165 WeakPolarHBondContact O-CG 3.38Å; E161-Q165 PolarHBondContact O-N 2.92Å; E161-Q165 PolarHBondContact OE1-NE2 2.96Å
162W86.6Confident74.6Confident96 Ų9663.7 Ų63.736%0.36433%0.331SS..Hα-helixtrans-62.8-39.7177.6-178.486.9000112.6N27 P28 D158 A159 I160 N166N27-W162 HydrophobicContact CB-CE3 4.42Å; P28-W162 HydrophobicContact CG-CD2 4.1Å; P28-W162 HydrophobicContact CG-CG 4.48Å; P28-W162 HydrophobicContact CG-CZ2 4.03Å; D158-W162 VanDerWaalsContact O-CB 3.3Å; D158-W162 WeakPolarHBondContact O-CB 3.29Å; D158-W162 PolarHBondContact O-N 3.4Å; A159-W162 PolarHBondContact O-N 3.48Å; I160-W162 VanDerWaalsContact C-N 3.32Å; I160-W162 PolarHBondContact O-N 3.46Å; W162-N166 WeakPolarHBondContact CZ2-ND2 3.31Å; W162-N166 PolarHBondContact NE1-ND2 3.13Å; W162-N166 VanDerWaalsContact NE1-ND2 3.19Å; W162-N166 WeakPolarHBondContact O-CB 3.22Å; W162-N166 PolarHBondContact O-N 2.97Å; W162-N166 VanDerWaalsContact O-N 3.08Å; W162-N166 PolarHBondContact O-ND2 2.74Å; W162-N166 VanDerWaalsContact O-ND2 3.13Å
163V86Confident72.6Confident13 Ų1365.7 Ų65.78%0.07935%0.346CS..Hα-helixtrans-66.3-42.1175.8172.10000110.7A20 R23 A159 I160 E161 N166 S167A20-V163 HydrophobicContact CB-CB 4.14Å; A20-V163 HydrophobicContact CB-CG1 3.78Å; R23-V163 HydrophobicContact CB-CG1 4.2Å; A159-V163 WeakPolarHBondContact O-CG2 3.44Å; A159-V163 PolarHBondContact O-N 3.38Å; I160-V163 PolarHBondContact O-N 3.48Å; I160-V163 VanDerWaalsContact O-N 3.14Å; E161-V163 PolarHBondContact O-N 3.33Å; V163-N166 PolarHBondContact O-N 3.32Å; V163-S167 WeakPolarHBondContact O-CB 3.14Å; V163-S167 PolarHBondContact O-N 3.45Å; V163-S167 PolarHBondContact O-OG 3.12Å; V163-S167 VanDerWaalsContact O-OG 3.06Å
164I85.3Confident70.9Confident0 Ų073.4 Ų73.40%039%0.386CS..Hα-helixtrans-59-52.5177.3-67170.9000109.7Y12 T16 V17 A20 I160 E161 N166 S167 E168Y12-I164 HydrophobicContact CD1-CG2 3.85Å; Y12-I164 HydrophobicContact CD2-CD1 3.76Å; Y12-I164 HydrophobicContact CE1-CG2 3.65Å; Y12-I164 HydrophobicContact CE2-CD1 4.17Å; Y12-I164 HydrophobicContact CE2-CG2 4.43Å; Y12-I164 HydrophobicContact CG-CD1 3.98Å; Y12-I164 HydrophobicContact CG-CG2 4.31Å; T16-I164 HydrophobicContact CG2-CD1 4.3Å; T16-I164 HydrophobicContact CG2-CG1 4.08Å; T16-I164 HydrophobicContact CG2-CG2 3.9Å; V17-I164 HydrophobicContact CG2-CD1 4.28Å; A20-I164 HydrophobicContact CB-CD1 4.2Å; A20-I164 HydrophobicContact CB-CG1 3.46Å; A20-I164 VanDerWaalsContact CB-CG1 3.46Å; I160-I164 HydrophobicContact CG2-CD1 3.85Å; I160-I164 HydrophobicContact CG2-CG1 4.38Å; I160-I164 VanDerWaalsContact O-CG1 3.32Å; I160-I164 WeakPolarHBondContact O-CG1 3.4Å; I160-I164 PolarHBondContact O-N 3.09Å; E161-I164 PolarHBondContact O-N 3.2Å; I164-N166 VanDerWaalsContact C-N 3.29Å; I164-N166 PolarHBondContact O-N 3.22Å; I164-S167 WeakPolarHBondContact CA-OG 3.35Å; I164-S167 PolarHBondContact O-N 3.19Å; I164-S167 VanDerWaalsContact O-N 3.12Å; I164-S167 PolarHBondContact O-OG 2.86Å; I164-E168 PolarHBondContact O-N 3.42Å
165Q83.9Confident68.6Low111 Ų11172 Ų7252%0.51940%0.396SS..Hα-helixtrans-59.7-35.7-178.9-70.7174.23.700113.5E161E161-Q165 VanDerWaalsContact O-CG 3.32Å; E161-Q165 WeakPolarHBondContact O-CG 3.38Å; E161-Q165 PolarHBondContact O-N 2.92Å; E161-Q165 PolarHBondContact OE1-NE2 2.96Å
166N79Confident66.1Low79 Ų7974.6 Ų74.642%0.42241%0.413SS..Hα-helixtrans-86.1-23.5177.3-69.6-38.4000113.5W162 V163 I164 E168 G169W162-N166 WeakPolarHBondContact CZ2-ND2 3.31Å; W162-N166 PolarHBondContact NE1-ND2 3.13Å; W162-N166 VanDerWaalsContact NE1-ND2 3.19Å; W162-N166 WeakPolarHBondContact O-CB 3.22Å; W162-N166 PolarHBondContact O-N 2.97Å; W162-N166 VanDerWaalsContact O-N 3.08Å; W162-N166 PolarHBondContact O-ND2 2.74Å; W162-N166 VanDerWaalsContact O-ND2 3.13Å; V163-N166 PolarHBondContact O-N 3.32Å; I164-N166 VanDerWaalsContact C-N 3.29Å; I164-N166 PolarHBondContact O-N 3.22Å; N166-E168 VanDerWaalsContact C-N 3.34Å; N166-G169 PolarHBondContact O-N 3.3Å
167S67.1Low64.1Low45 Ų4581.7 Ų81.732%0.31545%0.449SS..Hα-helixtrans-74.3-23.7177.967.50000113.3V163 I164 G169 D170V163-S167 WeakPolarHBondContact O-CB 3.14Å; V163-S167 PolarHBondContact O-N 3.45Å; V163-S167 PolarHBondContact O-OG 3.12Å; V163-S167 VanDerWaalsContact O-OG 3.06Å; I164-S167 WeakPolarHBondContact CA-OG 3.35Å; I164-S167 PolarHBondContact O-N 3.19Å; I164-S167 VanDerWaalsContact O-N 3.12Å; I164-S167 PolarHBondContact O-OG 2.86Å; S167-G169 PolarHBondContact O-N 3.09Å; S167-D170 PolarHBondContact O-N 2.99Å
168E55.4Low61.6Low155 Ų15594.6 Ų94.672%0.72450%0.499SS*.THydrogen-bonded Turntrans-70.2-11.2172.4-69.2-171.6161.800113.2I164 N166I164-E168 PolarHBondContact O-N 3.42Å; N166-E168 VanDerWaalsContact C-N 3.34Å
169G45.8Very low60.4Low64 Ų6496.4 Ų96.466%0.6651%0.509SS*.THydrogen-bonded Turntrans-91.8-15.8174.700000115N166 S167N166-G169 PolarHBondContact O-N 3.3Å; S167-G169 PolarHBondContact O-N 3.09Å
170D44.5Very low59Low113 Ų113101.5 Ų101.560%0.60454%0.535SS*.  trans-126.790.2-168.6-90-19.4000110.5S167 V172S167-D170 PolarHBondContact O-N 2.99Å; D170-V172 HydrophobicContact CB-CG2 3.7Å; D170-V172 PolarHBondContact O-N 3.28Å
171D42.2Very low57.5Low178 Ų178107.1 Ų107.195%0.95257%0.565SS**  trans-68.552.5163.6-126.2-9.5000109.7P173D171-P173 WeakPolarHBondContact O-CD 3.26Å
172V43.9Very low55.8Low82 Ų82110.3 Ų110.350%0.49758%0.584SS.*  trans-84.9116.4-177178.40000108.2D170D170-V172 HydrophobicContact CB-CG2 3.7Å; D170-V172 PolarHBondContact O-N 3.28Å
173P36.7Very low53.9Low87 Ų87111.2 Ų111.257%0.56560%0.598SS**  trans-62.9149.1-173.923.3-31.6000112.1D171 C175D171-P173 WeakPolarHBondContact O-CD 3.26Å; P173-C175 PolarHBondContact O-N 3.25Å
174L45.3Very low51.8Low165 Ų165117.7 Ų117.786%0.86463%0.632SS**THydrogen-bonded Turntrans-58.910.5-178.2-87.5154000116.2
175C36.4Very low49.4Very low104 Ų104126.1 Ų126.170%0.70368%0.677SS**THydrogen-bonded Turntrans-104.7-14.5-171.7-73.50000115.9P173 I177P173-C175 PolarHBondContact O-N 3.25Å; C175-I177 PolarHBondContact O-N 3.23Å
176D32.2Very low46.7Very low130 Ų130127.3 Ų127.370%0.69569%0.689SS**SBendtrans-104.537.6-167.7-68.2-23.5000115
177I42.3Very low44Very low154 Ų154131.3 Ų131.379%0.7971%0.712SS**  trans-141.476.7165.6-42.1175.7000110.5C175C175-I177 PolarHBondContact O-N 3.23Å
178Y36.4Very low41.9Very low299 Ų299139.2 Ų139.2100%1.17375%0.748SS**  trans-130.50147.4-79.6-73.9000108.3

Retrieved 178 of 178 residues in 170.2 ms (Link to these results)

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