A0A5K4FGW4_SCHMA Loading...

Usp domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FGW4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 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
1M44Very low75.6Confident224 Ų22491.4 Ų91.4100%1.10348%0.48SS*.  0140.20-73.7-177.9-175.200108.3
2N48Very low77.5Confident108 Ų10883.9 Ų83.958%0.57844%0.441SS*.  trans-65.7124171-169.1-10.2000107.7S4 S5N2-S4 PolarHBondContact ND2-OG 2.95Å; N2-S4 PolarHBondContact O-N 2.95Å; N2-S4 PolarHBondContact OD1-OG 3.1Å; N2-S4 VanDerWaalsContact OD1-OG 3.07Å; N2-S5 PolarHBondContact O-N 3.07Å; N2-S5 PolarHBondContact O-OG 2.79Å; N2-S5 VanDerWaalsContact O-OG 3.1Å
3P53.9Low79.1Confident120 Ų12078.2 Ų78.278%0.77941%0.412SS*.G310 helixtrans-55.8-18.4-179.917.5-29.8000113.6S5P3-S5 VanDerWaalsContact C-N 3.3Å; P3-S5 PolarHBondContact O-N 3.05Å
4S59.5Low80.5Confident88 Ų8873.1 Ų73.162%0.61539%0.385SS*.G310 helixtrans-72.7-10.7173.961.90000115.6N2N2-S4 PolarHBondContact ND2-OG 2.95Å; N2-S4 PolarHBondContact O-N 2.95Å; N2-S4 PolarHBondContact OD1-OG 3.1Å; N2-S4 VanDerWaalsContact OD1-OG 3.07Å
5S65.6Low81.4Confident79 Ų7970.7 Ų70.755%0.55237%0.373SS*.G310 helixtrans-99.2-4.2-17876.40000114.7N2 P3 K7N2-S5 PolarHBondContact O-N 3.07Å; N2-S5 PolarHBondContact O-OG 2.79Å; N2-S5 VanDerWaalsContact O-OG 3.1Å; P3-S5 VanDerWaalsContact C-N 3.3Å; P3-S5 PolarHBondContact O-N 3.05Å; S5-K7 PolarHBondContact O-N 3.45Å
6K78.1Confident82.2Confident140 Ų14068.9 Ų68.961%0.60938%0.377SS*.SBendtrans-73.9125.7179.4-165.9-162.8174.1-160.40108.8R8 D118K6-R8 PolarHBondContact O-N 3.27Å; K6-D118 IonicContact NZ-OD1 2.79Å; K6-D118 PolarHBondContact NZ-OD1 3.42Å
7K90.2Very high82.9Confident166 Ų16665.4 Ų65.472%0.72236%0.358SS*.  trans-58.2132.8167-68.3-173.7177.9-176.40108.9S5S5-K7 PolarHBondContact O-N 3.45Å
8R96.4Very high83.6Confident39 Ų3969 Ų6915%0.14738%0.377CS..  trans-105.2139.8177.7-52.2-176.3-63.1168.51.9109.3K6 I10 V31 R33 D36 E37 D118K6-R8 PolarHBondContact O-N 3.27Å; R8-I10 HydrophobicContact CB-CD1 3.73Å; R8-V31 PolarHBondContact NH2-O 3.43Å; R8-R33 VanDerWaalsContact NH2-CG 3.35Å; R8-D36 WeakPolarHBondContact CB-OD1 3.28Å; R8-D36 IonicContact CZ-OD1 2.67Å; R8-D36 IonicContact CZ-OD2 3.39Å; R8-D36 IonicContact NE-OD1 2.77Å; R8-D36 PolarHBondContact NE-OD1 2.82Å; R8-D36 IonicContact NE-OD2 3.74Å; R8-D36 VanDerWaalsContact NH2-CG 3.33Å; R8-D36 IonicContact NH2-OD1 3.78Å; R8-D36 PolarHBondContact NH2-OD1 2.74Å; R8-D36 IonicContact NH2-OD2 3.19Å; R8-D36 PolarHBondContact NH2-OD2 2.81Å; R8-D36 WeakPolarHBondContact O-CA 3.35Å; R8-E37 PolarHBondContact O-N 2.73Å; R8-D118 VanDerWaalsContact CA-OD2 3.28Å; R8-D118 WeakPolarHBondContact CA-OD2 3.31Å; R8-D118 HydrophobicContact CB-CB 4.39Å
9K98.2Very high84.1Confident41 Ų4167.8 Ų67.818%0.17837%0.368CS..EExtended strand (participates in β ladder)trans-100.1127.5165.6-167.9173.3-57.8-138.30109.9E37 L39 H115 V117 D118 L119K9-E37 CarbonylContact C-O 3.53Å; K9-E37 WeakPolarHBondContact CA-O 3.17Å; K9-E37 VanDerWaalsContact CE-OE1 3.25Å; K9-E37 WeakPolarHBondContact CE-OE1 3.41Å; K9-E37 IonicContact NZ-OE1 3.57Å; K9-E37 PolarHBondContact NZ-OE1 2.77Å; K9-E37 IonicContact NZ-OE2 2.67Å; K9-L39 HydrophobicContact CD-CB 4.49Å; K9-L39 HydrophobicContact CG-CB 4.44Å; K9-H115 HydrophobicContact CD-CB 4.37Å; K9-H115 WeakPolarHBondContact CD-O 3.48Å; K9-V117 HydrophobicContact CD-CG2 4.31Å; K9-V117 HydrophobicContact CG-CG2 4.21Å; K9-V117 WeakPolarHBondContact O-CG1 3.38Å; K9-D118 PolarHBondContact N-OD2 3.13Å; K9-D118 PolarHBondContact O-N 3.26Å; K9-L119 PolarHBondContact O-N 3Å
10I98.6Very high84.7Confident0 Ų064.6 Ų64.60%035%0.351CS..EExtended strand (participates in β ladder)trans-115.2117.9-171.7-44.7-60.5000109.4R8 F27 D36 E37 V38 L39 L119 V121R8-I10 HydrophobicContact CB-CD1 3.73Å; I10-F27 HydrophobicContact CB-CE2 4.23Å; I10-F27 HydrophobicContact CB-CZ 4.04Å; I10-F27 HydrophobicContact CG1-CE2 3.93Å; I10-F27 HydrophobicContact CG1-CZ 3.75Å; I10-F27 HydrophobicContact CG2-CD2 4.1Å; I10-F27 HydrophobicContact CG2-CE2 3.68Å; I10-F27 HydrophobicContact CG2-CZ 3.92Å; I10-D36 HydrophobicContact CG1-CB 4.18Å; I10-E37 PolarHBondContact N-O 2.74Å; I10-V38 CarbonylContact O-C 3.42Å; I10-V38 WeakPolarHBondContact O-CA 3.33Å; I10-L39 PolarHBondContact O-N 3.37Å; I10-L119 CarbonylContact C-O 3.55Å; I10-L119 WeakPolarHBondContact CA-O 3.24Å; I10-L119 HydrophobicContact CD1-CB 3.8Å; I10-L119 HydrophobicContact CD1-CD2 4.08Å; I10-L119 HydrophobicContact CG2-CB 4.5Å; I10-L119 HydrophobicContact CG2-CD2 4.45Å; I10-V121 HydrophobicContact CG2-CG2 4.1Å
11C98.7Very high85.3Confident0 Ų064.8 Ų64.80%035%0.349CS..EExtended strand (participates in β ladder)trans-82.2127.2173.8176.30000110.7L39 V41 V112 V117 L119 I120 V121C11-L39 CarbonylContact C-O 3.58Å; C11-L39 WeakPolarHBondContact CA-O 3.45Å; C11-V41 VanDerWaalsContact SG-CG2 3.5Å; C11-V112 HydrophobicContact CB-CG2 3.86Å; C11-V117 HydrophobicContact CB-CB 4.33Å; C11-V117 HydrophobicContact CB-CG1 3.56Å; C11-V117 HydrophobicContact CB-CG2 3.95Å; C11-L119 PolarHBondContact N-O 2.96Å; C11-I120 HydrophobicContact CB-CG1 4.16Å; C11-I120 HydrophobicContact CB-CG2 4.48Å; C11-V121 PolarHBondContact O-N 3.24Å
12L98.7Very high87.8Confident2 Ų257.9 Ų57.91%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-120.193.8172.8-67.4177000109.5I14 V24 F27 V38 L39 F40 V41 V121L12-I14 PolarHBondContact O-N 3.19Å; L12-V24 HydrophobicContact CB-CG2 4.23Å; L12-V24 HydrophobicContact CD1-CB 4.42Å; L12-V24 HydrophobicContact CD1-CG1 4.15Å; L12-V24 HydrophobicContact CD1-CG2 4.05Å; L12-F27 HydrophobicContact CD1-CD1 3.74Å; L12-F27 HydrophobicContact CD1-CE1 4.24Å; L12-F27 HydrophobicContact CD1-CG 4.42Å; L12-F27 HydrophobicContact CD2-CB 4.14Å; L12-F27 HydrophobicContact CD2-CD1 4.31Å; L12-F27 HydrophobicContact CD2-CG 4.19Å; L12-V38 HydrophobicContact CB-CG1 4.42Å; L12-V38 HydrophobicContact CD1-CG1 3.51Å; L12-V38 HydrophobicContact CD1-CG2 4.33Å; L12-V38 HydrophobicContact CG-CG1 4.09Å; L12-L39 PolarHBondContact N-O 3.19Å; L12-F40 HydrophobicContact CB-CD1 3.77Å; L12-F40 HydrophobicContact CB-CE1 3.9Å; L12-F40 HydrophobicContact CD1-CD1 4.41Å; L12-F40 HydrophobicContact CD1-CE1 3.71Å; L12-F40 HydrophobicContact CD1-CZ 4.2Å; L12-F40 HydrophobicContact CG-CE1 4.43Å; L12-F40 WeakPolarHBondContact O-CA 3.49Å; L12-V41 PolarHBondContact O-N 3.48Å; L12-V121 HydrophobicContact CD2-CB 3.64Å; L12-V121 HydrophobicContact CD2-CG1 4.3Å; L12-V121 HydrophobicContact CD2-CG2 4.48Å; L12-V121 WeakPolarHBondContact CD2-O 3.46Å
13P98.3Very high90.2Very high10 Ų1052.8 Ų52.87%0.06528%0.283CS..EExtended strand (participates in β ladder)trans-66.1130.2173.6-21.435.7000111.1V41 I108 I120 V121 I122P13-V41 WeakPolarHBondContact CA-O 3.25Å; P13-I108 HydrophobicContact CB-CD1 3.56Å; P13-I108 HydrophobicContact CB-CG1 3.92Å; P13-I108 HydrophobicContact CG-CD1 3.9Å; P13-I108 HydrophobicContact CG-CG1 4.03Å; P13-I108 HydrophobicContact CG-CG2 3.7Å; P13-I120 HydrophobicContact CG-CG2 4.19Å; P13-V121 VanDerWaalsContact CD-O 3.3Å; P13-V121 WeakPolarHBondContact CD-O 3.43Å; P13-I122 HydrophobicContact CB-CD1 4.08Å; P13-I122 HydrophobicContact CB-CG1 4.1Å; P13-I122 HydrophobicContact CG-CB 4.21Å; P13-I122 HydrophobicContact CG-CD1 3.94Å; P13-I122 HydrophobicContact CG-CG1 4Å
14I98Very high92.3Very high6 Ų647.1 Ų47.13%0.03125%0.247CC..  trans-130.5136.5-175.951.4170.5000110.7L12 V24 F40 V41 H42 L79 Y83 F96L12-I14 PolarHBondContact O-N 3.19Å; I14-V24 HydrophobicContact CG2-CG2 3.88Å; I14-F40 HydrophobicContact CD1-CB 3.77Å; I14-F40 HydrophobicContact CD1-CD1 3.93Å; I14-F40 HydrophobicContact CD1-CG 4.08Å; I14-F40 HydrophobicContact CG1-CB 4.33Å; I14-F40 HydrophobicContact CG1-CD1 4.44Å; I14-F40 HydrophobicContact CG2-CD1 3.98Å; I14-F40 HydrophobicContact CG2-CE1 4.46Å; I14-V41 PolarHBondContact N-O 3.42Å; I14-H42 HydrophobicContact CG1-CB 4.33Å; I14-H42 PolarHBondContact O-ND1 2.84Å; I14-L79 HydrophobicContact CD1-CB 4.25Å; I14-Y83 HydrophobicContact CB-CD2 4.48Å; I14-Y83 HydrophobicContact CB-CE2 3.95Å; I14-Y83 HydrophobicContact CD1-CD2 3.47Å; I14-Y83 VanDerWaalsContact CD1-CD2 3.47Å; I14-Y83 HydrophobicContact CD1-CE2 3.78Å; I14-Y83 HydrophobicContact CD1-CG 4.32Å; I14-Y83 HydrophobicContact CG1-CE2 4.49Å; I14-Y83 HydrophobicContact CG2-CD2 4.21Å; I14-Y83 HydrophobicContact CG2-CE1 4.39Å; I14-Y83 HydrophobicContact CG2-CE2 3.7Å; I14-F96 HydrophobicContact CD1-CD2 4.13Å; I14-F96 HydrophobicContact CD1-CE2 3.43Å; I14-F96 VanDerWaalsContact CD1-CE2 3.43Å; I14-F96 HydrophobicContact CD1-CZ 4.2Å
15D94.9Very high94.1Very high38 Ų3847.8 Ų47.820%0.20324%0.24CC..  trans-131.72-177.367.7-13.7000112.7S17 S20 G126 L127D15-S17 VanDerWaalsContact C-N 3.32Å; D15-S17 WeakPolarHBondContact OD1-CB 3.32Å; D15-S17 PolarHBondContact OD1-N 3.49Å; D15-S17 PolarHBondContact OD1-OG 2.67Å; D15-S17 PolarHBondContact OD2-OG 2.86Å; D15-S20 PolarHBondContact N-OG 2.67Å; D15-S20 WeakPolarHBondContact OD1-CB 3.38Å; D15-S20 PolarHBondContact OD1-OG 3.33Å; D15-G126 VanDerWaalsContact OD2-C 3.25Å; D15-G126 WeakPolarHBondContact OD2-CA 3.47Å; D15-L127 HydrophobicContact CB-CD1 4.44Å; D15-L127 HydrophobicContact CB-CG 4.31Å; D15-L127 WeakPolarHBondContact O-CD1 3.47Å; D15-L127 PolarHBondContact OD2-N 3.18Å
16G94.4Very high95.6Very high42 Ų4247.6 Ų47.643%0.43323%0.227SC..SBendtrans80.66-175.900000114.8
17S94.4Very high96.6Very high9 Ų940.9 Ų40.96%0.06320%0.198CC..SBendtrans-78.1155.9169.871.60000112.4D15 H19 S20 K21D15-S17 VanDerWaalsContact C-N 3.32Å; D15-S17 WeakPolarHBondContact OD1-CB 3.32Å; D15-S17 PolarHBondContact OD1-N 3.49Å; D15-S17 PolarHBondContact OD1-OG 2.67Å; D15-S17 PolarHBondContact OD2-OG 2.86Å; S17-H19 PolarHBondContact O-N 2.98Å; S17-S20 PolarHBondContact O-N 3.19Å; S17-S20 PolarHBondContact O-OG 3.03Å; S17-S20 VanDerWaalsContact O-OG 3.05Å; S17-S20 PolarHBondContact OG-N 3.22Å; S17-S20 PolarHBondContact OG-OG 3.2Å; S17-K21 PolarHBondContact O-N 3.04Å; S17-K21 VanDerWaalsContact O-N 3.11Å
18D94.1Very high96.9Very high130 Ų13033.9 Ų33.970%0.69517%0.168SC*.Hα-helixtrans-60.4-25.9172.6-65-38.5000112.4R22D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 PolarHBondContact O-N 3.04Å
19H94.4Very high97Very high46 Ų4640 Ų4021%0.21320%0.196CC..Hα-helixtrans-73.6-41.9179.7-61.1-59.9000112.5S17 R22 A23 R125S17-H19 PolarHBondContact O-N 2.98Å; H19-R22 PolarHBondContact O-N 2.78Å; H19-A23 PolarHBondContact O-N 3.05Å; H19-R125 HydrophobicContact CB-CB 4.21Å; H19-R125 WeakPolarHBondContact CB-O 3.36Å; H19-R125 VanDerWaalsContact CD2-CB 3.42Å; H19-R125 WeakPolarHBondContact CD2-CB 3.48Å
20S96.2Very high96.9Very high4 Ų441.9 Ų41.93%0.02821%0.208CC..Hα-helixtrans-68.1-4117358.10000110.9D15 S17 R22 A23 V24D15-S20 PolarHBondContact N-OG 2.67Å; D15-S20 WeakPolarHBondContact OD1-CB 3.38Å; D15-S20 PolarHBondContact OD1-OG 3.33Å; S17-S20 PolarHBondContact O-N 3.19Å; S17-S20 PolarHBondContact O-OG 3.03Å; S17-S20 VanDerWaalsContact O-OG 3.05Å; S17-S20 PolarHBondContact OG-N 3.22Å; S17-S20 PolarHBondContact OG-OG 3.2Å; S20-R22 VanDerWaalsContact C-N 3.33Å; S20-R22 PolarHBondContact O-N 2.9Å; S20-A23 WeakPolarHBondContact O-CB 3.47Å; S20-A23 PolarHBondContact O-N 3.27Å; S20-A23 VanDerWaalsContact O-N 3.09Å; S20-V24 WeakPolarHBondContact O-CG2 3.38Å; S20-V24 PolarHBondContact O-N 3.44Å
21K97Very high96.8Very high68 Ų6843.2 Ų43.230%0.29622%0.216SC..Hα-helixtrans-57.7-44.4172.9-175.2167.4-177.9157.50112.7S17 A23 V24 Q25 E82 Y83S17-K21 PolarHBondContact O-N 3.04Å; S17-K21 VanDerWaalsContact O-N 3.11Å; K21-A23 VanDerWaalsContact C-N 3.34Å; K21-A23 PolarHBondContact O-N 3.11Å; K21-V24 PolarHBondContact O-N 2.81Å; K21-Q25 WeakPolarHBondContact O-CG 3.22Å; K21-Q25 PolarHBondContact O-N 2.87Å; K21-E82 IonicContact NZ-OE1 2.73Å; K21-E82 PolarHBondContact NZ-OE1 3.42Å; K21-Y83 WeakPolarHBondContact CA-OH 3.16Å; K21-Y83 WeakPolarHBondContact CB-OH 3.42Å; K21-Y83 PolarHBondContact N-OH 2.97Å
22R96.3Very high96.7Very high80 Ų8046.2 Ų46.230%0.30223%0.228SC..Hα-helixtrans-60.3-42.7174.1172.9175.1168.473.6-4.8111.7D18 H19 S20 V24 Q25 W26 V153 P154 V156D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 PolarHBondContact O-N 3.04Å; H19-R22 PolarHBondContact O-N 2.78Å; S20-R22 VanDerWaalsContact C-N 3.33Å; S20-R22 PolarHBondContact O-N 2.9Å; R22-V24 VanDerWaalsContact C-N 3.33Å; R22-V24 PolarHBondContact O-N 2.84Å; R22-Q25 PolarHBondContact O-N 2.98Å; R22-W26 WeakPolarHBondContact O-CB 3.2Å; R22-W26 PolarHBondContact O-N 3.28Å; R22-V153 HydrophobicContact CG-CG1 4.14Å; R22-P154 PolarHBondContact NE-O 2.94Å; R22-V156 VanDerWaalsContact NH1-CG1 3.25Å
23A97.9Very high96.6Very high1 Ų153.2 Ų53.21%0.00825%0.254CS..Hα-helixtrans-61.2-43178.500000111.8H19 S20 K21 W26 F27 V153H19-A23 PolarHBondContact O-N 3.05Å; S20-A23 WeakPolarHBondContact O-CB 3.47Å; S20-A23 PolarHBondContact O-N 3.27Å; S20-A23 VanDerWaalsContact O-N 3.09Å; K21-A23 VanDerWaalsContact C-N 3.34Å; K21-A23 PolarHBondContact O-N 3.11Å; A23-W26 PolarHBondContact O-N 3.31Å; A23-F27 WeakPolarHBondContact O-CB 3.39Å; A23-F27 PolarHBondContact O-N 2.84Å; A23-V153 HydrophobicContact CB-CB 3.92Å; A23-V153 HydrophobicContact CB-CG2 3.91Å
24V98.3Very high96.4Very high1 Ų161.6 Ų61.61%0.00629%0.292CS..Hα-helixtrans-61.6-50174.7175.60000111.3L12 I14 S20 K21 R22 W26 F27 I28 F40 Y83 M86L12-V24 HydrophobicContact CB-CG2 4.23Å; L12-V24 HydrophobicContact CD1-CB 4.42Å; L12-V24 HydrophobicContact CD1-CG1 4.15Å; L12-V24 HydrophobicContact CD1-CG2 4.05Å; I14-V24 HydrophobicContact CG2-CG2 3.88Å; S20-V24 WeakPolarHBondContact O-CG2 3.38Å; S20-V24 PolarHBondContact O-N 3.44Å; K21-V24 PolarHBondContact O-N 2.81Å; R22-V24 VanDerWaalsContact C-N 3.33Å; R22-V24 PolarHBondContact O-N 2.84Å; V24-W26 VanDerWaalsContact C-N 3.33Å; V24-W26 PolarHBondContact O-N 2.9Å; V24-F27 PolarHBondContact O-N 2.8Å; V24-I28 HydrophobicContact CG1-CD1 3.86Å; V24-I28 WeakPolarHBondContact O-CG1 3.47Å; V24-I28 PolarHBondContact O-N 3.2Å; V24-F40 HydrophobicContact CG1-CE1 4.05Å; V24-F40 HydrophobicContact CG1-CZ 4.33Å; V24-F40 HydrophobicContact CG2-CE1 3.9Å; V24-Y83 HydrophobicContact CB-CD1 4.39Å; V24-Y83 HydrophobicContact CB-CE1 3.86Å; V24-Y83 HydrophobicContact CG1-CD1 3.87Å; V24-Y83 HydrophobicContact CG1-CE1 3.82Å; V24-Y83 HydrophobicContact CG2-CD1 4.21Å; V24-Y83 HydrophobicContact CG2-CE1 3.68Å; V24-M86 HydrophobicContact CG1-SD 3.85Å
25Q97.4Very high96.1Very high101 Ų10162.6 Ų62.647%0.47230%0.303SS..Hα-helixtrans-62.4-41.5-179.7-72.3177.7-23.600112.4K21 R22 I28 K29K21-Q25 WeakPolarHBondContact O-CG 3.22Å; K21-Q25 PolarHBondContact O-N 2.87Å; R22-Q25 PolarHBondContact O-N 2.98Å; Q25-I28 PolarHBondContact O-N 3.1Å; Q25-K29 WeakPolarHBondContact O-CB 3.46Å; Q25-K29 PolarHBondContact O-N 3.29Å
26W98Very high96.3Very high75 Ų7560.9 Ų60.928%0.28429%0.294SS..Hα-helixtrans-64.8-44.9176.6-178.984000111.4R22 A23 V24 I28 K29 D30 V31 V121 I151 V153R22-W26 WeakPolarHBondContact O-CB 3.2Å; R22-W26 PolarHBondContact O-N 3.28Å; A23-W26 PolarHBondContact O-N 3.31Å; V24-W26 VanDerWaalsContact C-N 3.33Å; V24-W26 PolarHBondContact O-N 2.9Å; W26-I28 PolarHBondContact O-N 3.28Å; W26-K29 PolarHBondContact O-N 3.14Å; W26-D30 HydrophobicContact CD2-CB 4.48Å; W26-D30 HydrophobicContact CZ2-CB 4.27Å; W26-D30 PolarHBondContact NE1-OD2 3Å; W26-D30 WeakPolarHBondContact O-CB 3.35Å; W26-D30 PolarHBondContact O-N 3.5Å; W26-V31 HydrophobicContact CE3-CG2 4.2Å; W26-V31 HydrophobicContact CH2-CG2 3.29Å; W26-V31 HydrophobicContact CZ2-CG2 4.11Å; W26-V31 HydrophobicContact CZ3-CB 4.41Å; W26-V31 HydrophobicContact CZ3-CG2 3.35Å; W26-V121 HydrophobicContact CE3-CG1 4.16Å; W26-V121 HydrophobicContact CZ3-CG1 4.17Å; W26-I151 HydrophobicContact CH2-CG2 3.73Å; W26-I151 HydrophobicContact CZ3-CD1 4.46Å; W26-I151 HydrophobicContact CZ3-CG2 3.59Å; W26-V153 HydrophobicContact CB-CG1 4.1Å; W26-V153 HydrophobicContact CD2-CG1 4.4Å; W26-V153 HydrophobicContact CD2-CG2 4Å; W26-V153 HydrophobicContact CE3-CG2 3.54Å; W26-V153 HydrophobicContact CG-CG1 4.1Å; W26-V153 HydrophobicContact CG-CG2 4.44Å; W26-V153 HydrophobicContact CZ3-CG2 4.11Å
27F98.2Very high96.4Very high0 Ų061.5 Ų61.50%029%0.286CS..Hα-helixtrans-55-51.9174.2163.2-105.1000111.4I10 L12 A23 V24 K29 D30 V31 Y32 V38 V121I10-F27 HydrophobicContact CB-CE2 4.23Å; I10-F27 HydrophobicContact CB-CZ 4.04Å; I10-F27 HydrophobicContact CG1-CE2 3.93Å; I10-F27 HydrophobicContact CG1-CZ 3.75Å; I10-F27 HydrophobicContact CG2-CD2 4.1Å; I10-F27 HydrophobicContact CG2-CE2 3.68Å; I10-F27 HydrophobicContact CG2-CZ 3.92Å; L12-F27 HydrophobicContact CD1-CD1 3.74Å; L12-F27 HydrophobicContact CD1-CE1 4.24Å; L12-F27 HydrophobicContact CD1-CG 4.42Å; L12-F27 HydrophobicContact CD2-CB 4.14Å; L12-F27 HydrophobicContact CD2-CD1 4.31Å; L12-F27 HydrophobicContact CD2-CG 4.19Å; A23-F27 WeakPolarHBondContact O-CB 3.39Å; A23-F27 PolarHBondContact O-N 2.84Å; V24-F27 PolarHBondContact O-N 2.8Å; F27-K29 PolarHBondContact O-N 3.46Å; F27-D30 PolarHBondContact O-N 2.82Å; F27-V31 HydrophobicContact CD2-CB 3.88Å; F27-V31 HydrophobicContact CD2-CG1 3.96Å; F27-V31 HydrophobicContact CE2-CB 4.35Å; F27-V31 HydrophobicContact CE2-CG1 4.12Å; F27-V31 PolarHBondContact O-N 3.35Å; F27-Y32 HydrophobicContact CE1-CD2 4.06Å; F27-Y32 AromaticContact CZ-CD2 3.89Å; F27-Y32 HydrophobicContact CZ-CD2 3.89Å; F27-Y32 HydrophobicContact CZ-CG 4.47Å; F27-Y32 PolarHBondContact O-N 2.97Å; F27-V38 HydrophobicContact CE1-CG2 3.73Å; F27-V38 HydrophobicContact CZ-CG2 4.34Å; F27-V121 HydrophobicContact CB-CB 4.47Å; F27-V121 HydrophobicContact CB-CG1 4.17Å; F27-V121 HydrophobicContact CD2-CG2 4.01Å
28I97.6Very high96.6Very high18 Ų1861.1 Ų61.19%0.09228%0.283CS..Hα-helixtrans-61.5-35.1-178-65.8168.1000111.4V24 Q25 W26 M86 K90 I92V24-I28 HydrophobicContact CG1-CD1 3.86Å; V24-I28 WeakPolarHBondContact O-CG1 3.47Å; V24-I28 PolarHBondContact O-N 3.2Å; Q25-I28 PolarHBondContact O-N 3.1Å; W26-I28 PolarHBondContact O-N 3.28Å; I28-M86 HydrophobicContact CD1-CG 4.21Å; I28-M86 HydrophobicContact CD1-SD 3.48Å; I28-M86 WeakPolarHBondContact CD1-SD 3.43Å; I28-K90 HydrophobicContact CG2-CD 3.69Å; I28-I92 HydrophobicContact CG1-CD1 4.24Å; I28-I92 HydrophobicContact CG2-CD1 4.22Å
29K96.9Very high96.9Very high168 Ų16855 Ų5573%0.7325%0.25SS*.Hα-helixtrans-77.8-45.8-177.9-176.5-171.4165.8-164.10112.5Q25 W26 F27Q25-K29 WeakPolarHBondContact O-CB 3.46Å; Q25-K29 PolarHBondContact O-N 3.29Å; W26-K29 PolarHBondContact O-N 3.14Å; F27-K29 PolarHBondContact O-N 3.46Å
30D97.1Very high97.1Very high81 Ų8152.8 Ų52.843%0.43324%0.24SC..Hα-helixtrans-114.9-17.9-159.5-59.4-62.6000113.5W26 F27W26-D30 HydrophobicContact CD2-CB 4.48Å; W26-D30 HydrophobicContact CZ2-CB 4.27Å; W26-D30 PolarHBondContact NE1-OD2 3Å; W26-D30 WeakPolarHBondContact O-CB 3.35Å; W26-D30 PolarHBondContact O-N 3.5Å; F27-D30 PolarHBondContact O-N 2.82Å
31V96.8Very high97.2Very high28 Ų2852.7 Ų52.717%0.1724%0.239CC..THydrogen-bonded Turntrans-127.2-25.9-172178.10000114.2R8 W26 F27 L119 I151R8-V31 PolarHBondContact NH2-O 3.43Å; W26-V31 HydrophobicContact CE3-CG2 4.2Å; W26-V31 HydrophobicContact CH2-CG2 3.29Å; W26-V31 HydrophobicContact CZ2-CG2 4.11Å; W26-V31 HydrophobicContact CZ3-CB 4.41Å; W26-V31 HydrophobicContact CZ3-CG2 3.35Å; F27-V31 HydrophobicContact CD2-CB 3.88Å; F27-V31 HydrophobicContact CD2-CG1 3.96Å; F27-V31 HydrophobicContact CE2-CB 4.35Å; F27-V31 HydrophobicContact CE2-CG1 4.12Å; F27-V31 PolarHBondContact O-N 3.35Å; V31-L119 HydrophobicContact CG1-CD2 4.17Å; V31-I151 HydrophobicContact CG1-CD1 4.26Å; V31-I151 HydrophobicContact CG2-CD1 4.41Å
32Y96.9Very high97.2Very high62 Ų6249.8 Ų49.824%0.24323%0.227CC..  trans-56.2137.3-178.7172.9-101.2000112.2F27 D36 I92F27-Y32 HydrophobicContact CE1-CD2 4.06Å; F27-Y32 AromaticContact CZ-CD2 3.89Å; F27-Y32 HydrophobicContact CZ-CD2 3.89Å; F27-Y32 HydrophobicContact CZ-CG 4.47Å; F27-Y32 PolarHBondContact O-N 2.97Å; Y32-D36 HydrophobicContact CD2-CB 3.92Å; Y32-D36 HydrophobicContact CE2-CB 3.8Å; Y32-I92 HydrophobicContact CD2-CD1 4.24Å; Y32-I92 HydrophobicContact CE1-CD1 4.49Å; Y32-I92 HydrophobicContact CE1-CG1 4.43Å; Y32-I92 HydrophobicContact CE2-CB 4.44Å; Y32-I92 HydrophobicContact CE2-CD1 4.01Å; Y32-I92 HydrophobicContact CE2-CG1 3.88Å; Y32-I92 HydrophobicContact CE2-CG2 3.86Å
33R95.6Very high97.2Very high149 Ų14947 Ų4756%0.56222%0.22SC*.  trans-123149.7175-63.2176.6-169172.3-0.6109.8R8 G35 D36R8-R33 VanDerWaalsContact NH2-CG 3.35Å; R33-G35 PolarHBondContact O-N 2.85Å; R33-D36 PolarHBondContact N-OD2 3.49Å; R33-D36 WeakPolarHBondContact O-CB 3.45Å; R33-D36 VanDerWaalsContact O-CG 3.27Å; R33-D36 PolarHBondContact O-N 3.49Å
34H93.7Very high96.9Very high187 Ų18747.7 Ų47.787%0.86622%0.223SC*.THydrogen-bonded Turntrans-59.2128.6174.2-170.171.4000110.6
35G93.2Very high96.2Very high26 Ų2653.8 Ų53.827%0.26825%0.251SS..THydrogen-bonded Turntrans90.6-0.7-176.500000114.9R33R33-G35 PolarHBondContact O-N 2.85Å
36D97.2Very high95.3Very high3 Ų351.6 Ų51.62%0.01624%0.242CC..  trans-64.4144164.5-70.5-15.5000110.4R8 I10 Y32 R33R8-D36 WeakPolarHBondContact CB-OD1 3.28Å; R8-D36 IonicContact CZ-OD1 2.67Å; R8-D36 IonicContact CZ-OD2 3.39Å; R8-D36 IonicContact NE-OD1 2.77Å; R8-D36 PolarHBondContact NE-OD1 2.82Å; R8-D36 IonicContact NE-OD2 3.74Å; R8-D36 VanDerWaalsContact NH2-CG 3.33Å; R8-D36 IonicContact NH2-OD1 3.78Å; R8-D36 PolarHBondContact NH2-OD1 2.74Å; R8-D36 IonicContact NH2-OD2 3.19Å; R8-D36 PolarHBondContact NH2-OD2 2.81Å; R8-D36 WeakPolarHBondContact O-CA 3.35Å; I10-D36 HydrophobicContact CG1-CB 4.18Å; Y32-D36 HydrophobicContact CD2-CB 3.92Å; Y32-D36 HydrophobicContact CE2-CB 3.8Å; R33-D36 PolarHBondContact N-OD2 3.49Å; R33-D36 WeakPolarHBondContact O-CB 3.45Å; R33-D36 VanDerWaalsContact O-CG 3.27Å; R33-D36 PolarHBondContact O-N 3.49Å
37E97.9Very high94Very high55 Ų5550.8 Ų50.826%0.25725%0.247SC..EExtended strand (participates in β ladder)trans-114.6137170.1-176.8-172.8143.200108.7R8 K9 I10 P93R8-E37 PolarHBondContact O-N 2.73Å; K9-E37 CarbonylContact C-O 3.53Å; K9-E37 WeakPolarHBondContact CA-O 3.17Å; K9-E37 VanDerWaalsContact CE-OE1 3.25Å; K9-E37 WeakPolarHBondContact CE-OE1 3.41Å; K9-E37 IonicContact NZ-OE1 3.57Å; K9-E37 PolarHBondContact NZ-OE1 2.77Å; K9-E37 IonicContact NZ-OE2 2.67Å; I10-E37 PolarHBondContact N-O 2.74Å; E37-P93 WeakPolarHBondContact CA-O 3.43Å; E37-P93 HydrophobicContact CB-CB 4.38Å; E37-P93 HydrophobicContact CG-CB 4.1Å
38V98.6Very high92.4Very high1 Ų158.2 Ų58.21%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-102.9129-177.1172.70000110.7I10 L12 F27 F40 I92 P93 Y94 D95I10-V38 CarbonylContact O-C 3.42Å; I10-V38 WeakPolarHBondContact O-CA 3.33Å; L12-V38 HydrophobicContact CB-CG1 4.42Å; L12-V38 HydrophobicContact CD1-CG1 3.51Å; L12-V38 HydrophobicContact CD1-CG2 4.33Å; L12-V38 HydrophobicContact CG-CG1 4.09Å; F27-V38 HydrophobicContact CE1-CG2 3.73Å; F27-V38 HydrophobicContact CZ-CG2 4.34Å; V38-F40 HydrophobicContact CG1-CD1 4.22Å; V38-F40 HydrophobicContact CG1-CD2 3.89Å; V38-F40 HydrophobicContact CG1-CE1 3.92Å; V38-F40 HydrophobicContact CG1-CE2 3.58Å; V38-F40 HydrophobicContact CG1-CG 4.21Å; V38-F40 HydrophobicContact CG1-CZ 3.58Å; V38-I92 HydrophobicContact CB-CG2 4.45Å; V38-I92 HydrophobicContact CG2-CG2 3.74Å; V38-P93 PolarHBondContact N-O 2.99Å; V38-Y94 CarbonylContact O-C 3.46Å; V38-Y94 WeakPolarHBondContact O-CA 3.45Å; V38-D95 PolarHBondContact O-N 3.18Å
39L98.8Very high90.8Very high0 Ų062 Ų620%031%0.306CS..EExtended strand (participates in β ladder)trans-105.9108.5167.3-178.171000109K9 I10 C11 L12 V41 D95 V97 H115 V117K9-L39 HydrophobicContact CD-CB 4.49Å; K9-L39 HydrophobicContact CG-CB 4.44Å; I10-L39 PolarHBondContact O-N 3.37Å; C11-L39 CarbonylContact C-O 3.58Å; C11-L39 WeakPolarHBondContact CA-O 3.45Å; L12-L39 PolarHBondContact N-O 3.19Å; L39-V41 HydrophobicContact CD2-CG2 4.07Å; L39-V41 HydrophobicContact CG-CG2 4.09Å; L39-D95 HydrophobicContact CD1-CB 3.83Å; L39-V97 HydrophobicContact CD1-CB 4.47Å; L39-V97 HydrophobicContact CD1-CG1 3.76Å; L39-V97 HydrophobicContact CD1-CG2 3.93Å; L39-V97 HydrophobicContact CD2-CG2 4.38Å; L39-V97 HydrophobicContact CG-CG2 4.16Å; L39-H115 HydrophobicContact CD2-CB 3.55Å; L39-V117 HydrophobicContact CB-CG2 4.48Å; L39-V117 HydrophobicContact CD2-CG2 3.75Å
40F98.8Very high89Confident1 Ų157.7 Ų57.70%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-79.7128.1168.9-68.6-69.9000110L12 I14 V24 V38 Y83 Y94 D95 F96 V97L12-F40 HydrophobicContact CB-CD1 3.77Å; L12-F40 HydrophobicContact CB-CE1 3.9Å; L12-F40 HydrophobicContact CD1-CD1 4.41Å; L12-F40 HydrophobicContact CD1-CE1 3.71Å; L12-F40 HydrophobicContact CD1-CZ 4.2Å; L12-F40 HydrophobicContact CG-CE1 4.43Å; L12-F40 WeakPolarHBondContact O-CA 3.49Å; I14-F40 HydrophobicContact CD1-CB 3.77Å; I14-F40 HydrophobicContact CD1-CD1 3.93Å; I14-F40 HydrophobicContact CD1-CG 4.08Å; I14-F40 HydrophobicContact CG1-CB 4.33Å; I14-F40 HydrophobicContact CG1-CD1 4.44Å; I14-F40 HydrophobicContact CG2-CD1 3.98Å; I14-F40 HydrophobicContact CG2-CE1 4.46Å; V24-F40 HydrophobicContact CG1-CE1 4.05Å; V24-F40 HydrophobicContact CG1-CZ 4.33Å; V24-F40 HydrophobicContact CG2-CE1 3.9Å; V38-F40 HydrophobicContact CG1-CD1 4.22Å; V38-F40 HydrophobicContact CG1-CD2 3.89Å; V38-F40 HydrophobicContact CG1-CE1 3.92Å; V38-F40 HydrophobicContact CG1-CE2 3.58Å; V38-F40 HydrophobicContact CG1-CG 4.21Å; V38-F40 HydrophobicContact CG1-CZ 3.58Å; F40-Y83 HydrophobicContact CD1-CG 4.29Å; F40-Y83 AromaticContact CE1-CD1 3.86Å; F40-Y83 HydrophobicContact CE1-CD1 3.86Å; F40-Y83 AromaticContact CE1-CG 3.92Å; F40-Y83 HydrophobicContact CE1-CG 3.92Å; F40-Y83 HydrophobicContact CZ-CD1 4.09Å; F40-Y83 HydrophobicContact CZ-CG 4.11Å; F40-Y94 HydrophobicContact CD2-CD2 4.15Å; F40-Y94 HydrophobicContact CE2-CD2 4.25Å; F40-Y94 HydrophobicContact CE2-CG 4.44Å; F40-D95 PolarHBondContact N-O 3.1Å; F40-F96 HydrophobicContact CB-CD2 3.66Å; F40-F96 HydrophobicContact CB-CE2 4.29Å; F40-F96 HydrophobicContact CB-CG 4.33Å; F40-F96 HydrophobicContact CG-CD2 4.45Å; F40-F96 WeakPolarHBondContact O-CA 3.5Å; F40-V97 WeakPolarHBondContact O-CG2 3.21Å; F40-V97 PolarHBondContact O-N 3.37Å
41V98.6Very high87.4Confident1 Ų158.7 Ų58.71%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-115.5116.5176.9-176.40000109C11 L12 P13 I14 L39 V97 K99 I108 A111C11-V41 VanDerWaalsContact SG-CG2 3.5Å; L12-V41 PolarHBondContact O-N 3.48Å; P13-V41 WeakPolarHBondContact CA-O 3.25Å; I14-V41 PolarHBondContact N-O 3.42Å; L39-V41 HydrophobicContact CD2-CG2 4.07Å; L39-V41 HydrophobicContact CG-CG2 4.09Å; V41-V97 HydrophobicContact CB-CG2 4.2Å; V41-V97 HydrophobicContact CG1-CG2 4.24Å; V41-V97 HydrophobicContact CG2-CG2 3.69Å; V41-K99 HydrophobicContact CG1-CG 4.1Å; V41-I108 HydrophobicContact CG1-CG1 4.16Å; V41-A111 HydrophobicContact CG1-CB 4.01Å; V41-A111 HydrophobicContact CG2-CB 3.82Å
42H98.1Very high85.4Confident7 Ų760.3 Ų60.33%0.03232%0.322CS..EExtended strand (participates in β ladder)trans-109.8121.4171.8-172.256000110.1I14 S76 L79 F96 V97 I98 K99I14-H42 HydrophobicContact CG1-CB 4.33Å; I14-H42 PolarHBondContact O-ND1 2.84Å; H42-S76 PolarHBondContact CD2-OG 2.88Å; H42-L79 VanDerWaalsContact CE1-CD1 3.43Å; H42-L79 WeakPolarHBondContact CE1-CD1 3.35Å; H42-L79 WeakPolarHBondContact ND1-CD1 3.21Å; H42-F96 HydrophobicContact CB-CE1 4.07Å; H42-F96 HydrophobicContact CB-CZ 3.69Å; H42-V97 PolarHBondContact N-O 3.13Å; H42-I98 CarbonylContact O-C 3.55Å; H42-I98 VanDerWaalsContact O-CA 3.3Å; H42-I98 WeakPolarHBondContact O-CA 3.35Å; H42-K99 PolarHBondContact O-N 2.83Å
43C95.9Very high83.2Confident23 Ų2361.2 Ų61.216%0.15534%0.337CS..EExtended strand (participates in β ladder)trans-97.7126.2177.3-65.20000110.2K99 P104C43-K99 CarbonylContact C-O 3.58Å; C43-K99 VanDerWaalsContact CA-O 3.31Å; C43-K99 WeakPolarHBondContact CA-O 3.44Å; C43-P104 HydrophobicContact CB-CB 3.65Å; C43-P104 HydrophobicContact CB-CG 4Å; C43-P104 PolarHBondContact SG-O 2.98Å
44I91.7Very high81.3Confident14 Ų1464.1 Ų64.17%0.07236%0.355CS..EExtended strand (participates in β ladder)trans-106.9119.7177.3-59.9175.9000108.7L46 N72 S76 I98 K99I44-L46 HydrophobicContact CG2-CD2 4.19Å; I44-L46 HydrophobicContact CG2-CG 4.47Å; I44-N72 HydrophobicContact CD1-CB 4.35Å; I44-N72 HydrophobicContact CG2-CB 3.51Å; I44-N72 VanDerWaalsContact CG2-CG 3.44Å; I44-N72 WeakPolarHBondContact CG2-ND2 3.31Å; I44-S76 WeakPolarHBondContact CD1-OG 3.43Å; I44-I98 HydrophobicContact CD1-CD1 4.49Å; I44-I98 HydrophobicContact CD1-CG2 3.39Å; I44-I98 HydrophobicContact CG1-CG2 3.86Å; I44-K99 PolarHBondContact N-O 2.93Å
45E84.1Confident79.5Confident130 Ų13061.4 Ų61.461%0.60735%0.352SS*.  trans-86.7113.2165.8-65.1-179131.300108.3N72 P104E45-N72 PolarHBondContact O-ND2 2.85Å; E45-N72 VanDerWaalsContact O-ND2 3.15Å; E45-P104 HydrophobicContact CG-CG 4.02Å; E45-P104 VanDerWaalsContact OE1-CD 3.25Å; E45-P104 WeakPolarHBondContact OE1-CD 3.37Å
46L76.8Confident77.7Confident54 Ų5462.7 Ų62.728%0.28336%0.356SS..PPolyproline II helixtrans-80.2146.9168.5-67.3174.9000108.8I44 N48 L69I44-L46 HydrophobicContact CG2-CD2 4.19Å; I44-L46 HydrophobicContact CG2-CG 4.47Å; L46-N48 PolarHBondContact O-N 2.9Å; L46-L69 HydrophobicContact CD2-CB 4.48Å; L46-L69 HydrophobicContact CD2-CD1 3.65Å
47P70.6Confident75.9Confident58 Ų5867 Ų6738%0.37740%0.401SS..PPolyproline II helixtrans-55.5130.4170.3-17.428.4000109L49 A68P47-L49 PolarHBondContact O-N 3.4Å; P47-L49 VanDerWaalsContact O-N 3.12Å; P47-A68 HydrophobicContact CG-CB 3.55Å
48N66.1Low74.1Confident157 Ų15770.2 Ų70.284%0.8442%0.42SS*.PPolyproline II helixtrans-57.1121.7169.5-71.2-28.6000107.5L46 P50L46-N48 PolarHBondContact O-N 2.9Å; N48-P50 WeakPolarHBondContact O-CD 3.12Å
49L64Low72.3Confident97 Ų9779.7 Ų79.751%0.50846%0.461SS..PPolyproline II helixtrans-59.9124.7161.1-122.182.9000105.4P47 A51 V60 W65P47-L49 PolarHBondContact O-N 3.4Å; P47-L49 VanDerWaalsContact O-N 3.12Å; L49-A51 PolarHBondContact O-N 2.93Å; L49-V60 HydrophobicContact CD2-CG1 4.17Å; L49-V60 HydrophobicContact CG-CG1 4.35Å; L49-W65 HydrophobicContact CD1-CD2 4.39Å; L49-W65 HydrophobicContact CD1-CG 4.06Å
50P59.3Low70.6Confident78 Ų7882.2 Ų82.251%0.50648%0.476SS..PPolyproline II helixtrans-52.6133.4170.219.5-27.8000107.1N48 I52N48-P50 WeakPolarHBondContact O-CD 3.12Å; P50-I52 HydrophobicContact CG-CG1 4.36Å; P50-I52 WeakPolarHBondContact O-CG1 3.48Å; P50-I52 PolarHBondContact O-N 3.27Å
51A62Low69.3Low102 Ų10285.2 Ų85.284%0.84350%0.496SS*.  trans-63.287.9173.500000107.4L49 S53L49-A51 PolarHBondContact O-N 2.93Å; A51-S53 PolarHBondContact O-N 3.5Å
52I56.3Low68.4Low62 Ų6290.1 Ų90.132%0.31852%0.521SS..  trans-71.8104.7179.6-65.1143.4000105.2P50 F54 V60P50-I52 HydrophobicContact CG-CG1 4.36Å; P50-I52 WeakPolarHBondContact O-CG1 3.48Å; P50-I52 PolarHBondContact O-N 3.27Å; I52-F54 PolarHBondContact O-N 3.35Å; I52-V60 HydrophobicContact CD1-CB 4.26Å; I52-V60 HydrophobicContact CD1-CG1 4.25Å; I52-V60 HydrophobicContact CD1-CG2 3.37Å
53S50.8Low67.7Low80 Ų8096.2 Ų96.256%0.55955%0.554SS**  trans-53.9125.4157.8-740000106.6A51 T55 S56A51-S53 PolarHBondContact O-N 3.5Å; S53-T55 PolarHBondContact O-N 2.9Å; S53-S56 PolarHBondContact O-N 3.46Å; S53-S56 PolarHBondContact O-OG 3.19Å
54F55.3Low67Low210 Ų210100.5 Ų100.592%0.92158%0.575SS**THydrogen-bonded Turntrans-57.4-1-176.9-140.9-94.8000113.7I52I52-F54 PolarHBondContact O-N 3.35Å
55T55.4Low66.6Low131 Ų131104 Ų10480%0.80459%0.587SS**THydrogen-bonded Turntrans-91-8.4-175.856.10000114.7S53S53-T55 PolarHBondContact O-N 2.9Å
56S56.3Low66.7Low52 Ų52100.2 Ų100.236%0.36457%0.573SS.*SBendtrans-120120.5-179.825.50000110.2S53 L58S53-S56 PolarHBondContact O-N 3.46Å; S53-S56 PolarHBondContact O-OG 3.19Å; S56-L58 PolarHBondContact O-N 2.96Å
57G58.4Low67.3Low93 Ų93103.3 Ų103.396%0.95958%0.584SS**  trans-66.939.8176.200000114.5
58L60.2Low68.1Low124 Ų124101.6 Ų101.665%0.64958%0.575SS**  trans-75126.1176.6-82.5159.1000109.6S56 V60S56-L58 PolarHBondContact O-N 2.96Å; L58-V60 PolarHBondContact O-N 2.84Å; L58-V60 VanDerWaalsContact O-N 3.15Å
59K60.1Low69.2Low200 Ų20096.6 Ų96.687%0.8755%0.548SS*.  trans-61.2114.1170.9-71.7-178176.6-177.70108.5
60V63.8Low70.5Confident52 Ų5297.8 Ų97.832%0.31555%0.551SS.*  trans-58126.5166.2-171.10000107L49 I52 L58 I62L49-V60 HydrophobicContact CD2-CG1 4.17Å; L49-V60 HydrophobicContact CG-CG1 4.35Å; I52-V60 HydrophobicContact CD1-CB 4.26Å; I52-V60 HydrophobicContact CD1-CG1 4.25Å; I52-V60 HydrophobicContact CD1-CG2 3.37Å; L58-V60 PolarHBondContact O-N 2.84Å; L58-V60 VanDerWaalsContact O-N 3.15Å; V60-I62 HydrophobicContact CB-CD1 4.4Å; V60-I62 HydrophobicContact CB-CG1 3.93Å; V60-I62 HydrophobicContact CG1-CG1 3.95Å; V60-I62 PolarHBondContact O-N 3.5Å
61P71.3Confident72Confident65 Ų6598.6 Ų98.642%0.42255%0.548SS..  trans-76.168.4177.731-32.3000109.4D63 D64 W65P61-D63 PolarHBondContact O-N 2.78Å; P61-D64 HydrophobicContact CB-CB 4.28Å; P61-D64 PolarHBondContact O-N 3.23Å; P61-W65 PolarHBondContact O-N 2.98Å; P61-W65 VanDerWaalsContact O-N 3.12Å
62I79.6Confident73.5Confident104 Ų10494.6 Ų94.653%0.53351%0.512SS..Hα-helixtrans-59.8-37-177.1-66.3164.2000110.4V60 W65 T66V60-I62 HydrophobicContact CB-CD1 4.4Å; V60-I62 HydrophobicContact CB-CG1 3.93Å; V60-I62 HydrophobicContact CG1-CG1 3.95Å; V60-I62 PolarHBondContact O-N 3.5Å; I62-W65 PolarHBondContact O-N 3.42Å; I62-T66 VanDerWaalsContact O-CB 3.3Å; I62-T66 WeakPolarHBondContact O-CB 3.5Å; I62-T66 PolarHBondContact O-N 3.05Å; I62-T66 PolarHBondContact O-OG1 3.39Å
63D83.6Confident75.2Confident135 Ų13596 Ų9672%0.72252%0.519SS*.Hα-helixtrans-65-47.1-179.7-63.4-29.2000111.7P61 W65 T66 K67P61-D63 PolarHBondContact O-N 2.78Å; D63-W65 VanDerWaalsContact C-N 3.31Å; D63-W65 PolarHBondContact O-N 3.47Å; D63-T66 PolarHBondContact O-N 2.93Å; D63-K67 WeakPolarHBondContact O-CB 3.39Å; D63-K67 PolarHBondContact O-N 3.06Å
64D81.9Confident77.3Confident113 Ų11395 Ų9560%0.60452%0.517SS*.Hα-helixtrans-63-40.5177.1-68.2-32000111.3P61 K67 A68P61-D64 HydrophobicContact CB-CB 4.28Å; P61-D64 PolarHBondContact O-N 3.23Å; D64-K67 PolarHBondContact O-N 3.42Å; D64-A68 WeakPolarHBondContact O-CB 3.36Å; D64-A68 PolarHBondContact O-N 3.02Å
65W82.8Confident79.2Confident87 Ų8789.7 Ų89.733%0.3349%0.49SS..Hα-helixtrans-64.8-44.7176.5-172.685.5000111.9L49 P61 I62 D63 K67 A68 L69L49-W65 HydrophobicContact CD1-CD2 4.39Å; L49-W65 HydrophobicContact CD1-CG 4.06Å; P61-W65 PolarHBondContact O-N 2.98Å; P61-W65 VanDerWaalsContact O-N 3.12Å; I62-W65 PolarHBondContact O-N 3.42Å; D63-W65 VanDerWaalsContact C-N 3.31Å; D63-W65 PolarHBondContact O-N 3.47Å; W65-K67 VanDerWaalsContact C-N 3.34Å; W65-K67 PolarHBondContact O-N 3.31Å; W65-A68 PolarHBondContact O-N 3.43Å; W65-L69 HydrophobicContact CH2-CD2 3.91Å; W65-L69 HydrophobicContact CZ3-CD2 3.85Å; W65-L69 WeakPolarHBondContact O-CB 3.5Å; W65-L69 PolarHBondContact O-N 3.2Å
66T86.5Confident81.2Confident50 Ų5083.5 Ų83.531%0.30745%0.453SS..Hα-helixtrans-62.2-43.4177.5-590000110.7I62 D63 L69 Q70I62-T66 VanDerWaalsContact O-CB 3.3Å; I62-T66 WeakPolarHBondContact O-CB 3.5Å; I62-T66 PolarHBondContact O-N 3.05Å; I62-T66 PolarHBondContact O-OG1 3.39Å; D63-T66 PolarHBondContact O-N 2.93Å; T66-L69 PolarHBondContact O-N 2.88Å; T66-Q70 VanDerWaalsContact O-CG 3.31Å; T66-Q70 WeakPolarHBondContact O-CG 3.48Å; T66-Q70 PolarHBondContact O-N 2.88Å
67K89.1Confident83.2Confident120 Ų12084.5 Ų84.552%0.52246%0.456SS..Hα-helixtrans-62.2-48176.1-175.5-178.5176.1-173.70111.7D63 D64 W65 L69 Q70 E71D63-K67 WeakPolarHBondContact O-CB 3.39Å; D63-K67 PolarHBondContact O-N 3.06Å; D64-K67 PolarHBondContact O-N 3.42Å; W65-K67 VanDerWaalsContact C-N 3.34Å; W65-K67 PolarHBondContact O-N 3.31Å; K67-L69 VanDerWaalsContact C-N 3.3Å; K67-L69 PolarHBondContact O-N 2.89Å; K67-Q70 PolarHBondContact O-N 3.11Å; K67-E71 WeakPolarHBondContact CE-OE1 3.41Å; K67-E71 WeakPolarHBondContact O-CG 3.4Å; K67-E71 PolarHBondContact O-N 3.15Å
68A87.1Confident85.1Confident22 Ų2286.8 Ų86.818%0.18244%0.44CS..Hα-helixtrans-60.6-40.1177.500000112P47 D64 W65 E71 N72P47-A68 HydrophobicContact CG-CB 3.55Å; D64-A68 WeakPolarHBondContact O-CB 3.36Å; D64-A68 PolarHBondContact O-N 3.02Å; W65-A68 PolarHBondContact O-N 3.43Å; A68-E71 PolarHBondContact O-N 3.18Å; A68-N72 WeakPolarHBondContact O-CB 3.3Å; A68-N72 VanDerWaalsContact O-CG 3.24Å; A68-N72 PolarHBondContact O-N 2.94Å; A68-N72 PolarHBondContact O-ND2 3.44Å
69L88.4Confident86.9Confident51 Ų5181.3 Ų81.327%0.26741%0.411SS..Hα-helixtrans-62.8-46.6174.4177.362.6000111.6L46 W65 T66 K67 E71 N72 I73L46-L69 HydrophobicContact CD2-CB 4.48Å; L46-L69 HydrophobicContact CD2-CD1 3.65Å; W65-L69 HydrophobicContact CH2-CD2 3.91Å; W65-L69 HydrophobicContact CZ3-CD2 3.85Å; W65-L69 WeakPolarHBondContact O-CB 3.5Å; W65-L69 PolarHBondContact O-N 3.2Å; T66-L69 PolarHBondContact O-N 2.88Å; K67-L69 VanDerWaalsContact C-N 3.3Å; K67-L69 PolarHBondContact O-N 2.89Å; L69-E71 PolarHBondContact O-N 3.49Å; L69-N72 PolarHBondContact O-N 2.84Å; L69-I73 HydrophobicContact CD1-CD1 4.02Å; L69-I73 HydrophobicContact CD1-CG1 4.28Å; L69-I73 HydrophobicContact CG-CD1 3.92Å; L69-I73 VanDerWaalsContact O-CG1 3.32Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 3.22Å
70Q91.6Very high88.7Confident123 Ų12374.3 Ų74.358%0.57538%0.384SS*.Hα-helixtrans-60.2-43.7176.9-74.9175.1-6.800112T66 K67 N72 I73 A74T66-Q70 VanDerWaalsContact O-CG 3.31Å; T66-Q70 WeakPolarHBondContact O-CG 3.48Å; T66-Q70 PolarHBondContact O-N 2.88Å; K67-Q70 PolarHBondContact O-N 3.11Å; Q70-N72 VanDerWaalsContact C-N 3.34Å; Q70-N72 PolarHBondContact O-N 3.46Å; Q70-I73 PolarHBondContact O-N 2.79Å; Q70-A74 WeakPolarHBondContact O-CB 3.33Å; Q70-A74 PolarHBondContact O-N 2.84Å
71E92.3Very high90.3Very high95 Ų9576.8 Ų76.844%0.44440%0.395SS..Hα-helixtrans-62.4-41.1176.4-73.3177.1-174.800111.9K67 A68 L69 A74 R75K67-E71 WeakPolarHBondContact CE-OE1 3.41Å; K67-E71 WeakPolarHBondContact O-CG 3.4Å; K67-E71 PolarHBondContact O-N 3.15Å; A68-E71 PolarHBondContact O-N 3.18Å; L69-E71 PolarHBondContact O-N 3.49Å; E71-A74 PolarHBondContact O-N 2.81Å; E71-R75 WeakPolarHBondContact O-CB 3.32Å; E71-R75 PolarHBondContact O-N 2.87Å
72N91.8Very high91.6Very high17 Ų1776.8 Ų76.89%0.09139%0.389CS..Hα-helixtrans-66-42.1176.5-78.1-20.1000112.4I44 E45 A68 L69 Q70 R75 S76I44-N72 HydrophobicContact CD1-CB 4.35Å; I44-N72 HydrophobicContact CG2-CB 3.51Å; I44-N72 VanDerWaalsContact CG2-CG 3.44Å; I44-N72 WeakPolarHBondContact CG2-ND2 3.31Å; E45-N72 PolarHBondContact O-ND2 2.85Å; E45-N72 VanDerWaalsContact O-ND2 3.15Å; A68-N72 WeakPolarHBondContact O-CB 3.3Å; A68-N72 VanDerWaalsContact O-CG 3.24Å; A68-N72 PolarHBondContact O-N 2.94Å; A68-N72 PolarHBondContact O-ND2 3.44Å; L69-N72 PolarHBondContact O-N 2.84Å; Q70-N72 VanDerWaalsContact C-N 3.34Å; Q70-N72 PolarHBondContact O-N 3.46Å; N72-R75 PolarHBondContact O-N 2.92Å; N72-R75 PolarHBondContact OD1-NH1 3.29Å; N72-S76 WeakPolarHBondContact O-CB 3.38Å; N72-S76 PolarHBondContact O-N 3.2Å; N72-S76 PolarHBondContact O-OG 3Å
73I92.4Very high92.5Very high91 Ų9172 Ų7247%0.46736%0.364SS..Hα-helixtrans-62.3-49.5174.4-69.4166.8000110L69 Q70 R75 S76 T77L69-I73 HydrophobicContact CD1-CD1 4.02Å; L69-I73 HydrophobicContact CD1-CG1 4.28Å; L69-I73 HydrophobicContact CG-CD1 3.92Å; L69-I73 VanDerWaalsContact O-CG1 3.32Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 3.22Å; Q70-I73 PolarHBondContact O-N 2.79Å; I73-R75 VanDerWaalsContact C-N 3.3Å; I73-R75 PolarHBondContact O-N 2.85Å; I73-S76 WeakPolarHBondContact O-CB 3.45Å; I73-S76 PolarHBondContact O-N 2.85Å; I73-S76 VanDerWaalsContact O-N 3.13Å; I73-T77 PolarHBondContact O-N 2.93Å; I73-T77 PolarHBondContact O-OG1 3.48Å; I73-T77 VanDerWaalsContact O-OG1 3.12Å
74A95.8Very high93.2Very high61 Ų6165.6 Ų65.650%0.50433%0.33SS..Hα-helixtrans-59.4-41.1179.600000112.1Q70 E71 K78Q70-A74 WeakPolarHBondContact O-CB 3.33Å; Q70-A74 PolarHBondContact O-N 2.84Å; E71-A74 PolarHBondContact O-N 2.81Å; A74-K78 WeakPolarHBondContact O-CB 3.48Å; A74-K78 PolarHBondContact O-N 3.48Å
75R95Very high94Very high97 Ų9767.3 Ų67.337%0.36633%0.333SS..Hα-helixtrans-62.7-45.2175.1-169.3-178.7-56.2109.75.4111.6E71 N72 I73 K78 L79E71-R75 WeakPolarHBondContact O-CB 3.32Å; E71-R75 PolarHBondContact O-N 2.87Å; N72-R75 PolarHBondContact O-N 2.92Å; N72-R75 PolarHBondContact OD1-NH1 3.29Å; I73-R75 VanDerWaalsContact C-N 3.3Å; I73-R75 PolarHBondContact O-N 2.85Å; R75-K78 PolarHBondContact O-N 2.99Å; R75-L79 HydrophobicContact CG-CD1 4.31Å; R75-L79 WeakPolarHBondContact O-CG 3.33Å; R75-L79 PolarHBondContact O-N 2.86Å
76S96.8Very high94.7Very high2 Ų264.6 Ų64.61%0.01432%0.324CS..Hα-helixtrans-62.9-46.2179.7-54.90000111.7H42 I44 N72 I73 K78 L79 N80H42-S76 PolarHBondContact CD2-OG 2.88Å; I44-S76 WeakPolarHBondContact CD1-OG 3.43Å; N72-S76 WeakPolarHBondContact O-CB 3.38Å; N72-S76 PolarHBondContact O-N 3.2Å; N72-S76 PolarHBondContact O-OG 3Å; I73-S76 WeakPolarHBondContact O-CB 3.45Å; I73-S76 PolarHBondContact O-N 2.85Å; I73-S76 VanDerWaalsContact O-N 3.13Å; S76-K78 VanDerWaalsContact C-N 3.33Å; S76-K78 PolarHBondContact O-N 2.92Å; S76-L79 PolarHBondContact O-N 3.49Å; S76-N80 WeakPolarHBondContact O-CB 3.34Å; S76-N80 PolarHBondContact O-N 2.94Å
77T97.9Very high95.2Very high72 Ų7262.2 Ų62.244%0.44231%0.31SS..Hα-helixtrans-60.5-43176-58.50000111.5I73 L79 N80 N81I73-T77 PolarHBondContact O-N 2.93Å; I73-T77 PolarHBondContact O-OG1 3.48Å; I73-T77 VanDerWaalsContact O-OG1 3.12Å; T77-L79 PolarHBondContact O-N 3.09Å; T77-N80 PolarHBondContact O-N 3.13Å; T77-N81 WeakPolarHBondContact O-CB 3.42Å; T77-N81 VanDerWaalsContact O-CG 3.23Å; T77-N81 PolarHBondContact O-N 3.39Å; T77-N81 PolarHBondContact O-ND2 3.43Å
78K98.2Very high95.7Very high142 Ų14261.9 Ų61.962%0.61731%0.31SS*.Hα-helixtrans-59.5-47.3176.2-178.8-176.4175.4-175.20111.5A74 R75 S76 N81 E82A74-K78 WeakPolarHBondContact O-CB 3.48Å; A74-K78 PolarHBondContact O-N 3.48Å; R75-K78 PolarHBondContact O-N 2.99Å; S76-K78 VanDerWaalsContact C-N 3.33Å; S76-K78 PolarHBondContact O-N 2.92Å; K78-N81 PolarHBondContact O-N 2.93Å; K78-E82 WeakPolarHBondContact O-CB 3.19Å; K78-E82 PolarHBondContact O-N 2.9Å
79L98.3Very high96.2Very high8 Ų864.6 Ų64.64%0.04233%0.328CS..Hα-helixtrans-65-43.3179.5-67.6172.5000111.5I14 H42 R75 S76 T77 N81 E82 Y83 F96I14-L79 HydrophobicContact CD1-CB 4.25Å; H42-L79 VanDerWaalsContact CE1-CD1 3.43Å; H42-L79 WeakPolarHBondContact CE1-CD1 3.35Å; H42-L79 WeakPolarHBondContact ND1-CD1 3.21Å; R75-L79 HydrophobicContact CG-CD1 4.31Å; R75-L79 WeakPolarHBondContact O-CG 3.33Å; R75-L79 PolarHBondContact O-N 2.86Å; S76-L79 PolarHBondContact O-N 3.49Å; T77-L79 PolarHBondContact O-N 3.09Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 3.18Å; L79-E82 PolarHBondContact O-N 3.17Å; L79-Y83 HydrophobicContact CB-CD2 4.4Å; L79-Y83 HydrophobicContact CD2-CE2 3.96Å; L79-Y83 VanDerWaalsContact O-CD2 3.24Å; L79-Y83 WeakPolarHBondContact O-CD2 3.33Å; L79-Y83 PolarHBondContact O-N 3.35Å; L79-F96 HydrophobicContact CB-CE2 4.21Å; L79-F96 HydrophobicContact CB-CZ 4.29Å
80N98.5Very high96.5Very high54 Ų5467.7 Ų67.729%0.28934%0.339SS..Hα-helixtrans-57.9-47.5176.7-172.328.4000111.3S76 T77 G84 F96S76-N80 WeakPolarHBondContact O-CB 3.34Å; S76-N80 PolarHBondContact O-N 2.94Å; T77-N80 PolarHBondContact O-N 3.13Å; N80-G84 WeakPolarHBondContact O-CA 3.27Å; N80-G84 PolarHBondContact O-N 2.79Å; N80-F96 VanDerWaalsContact CA-CE2 3.41Å; N80-F96 HydrophobicContact CB-CD1 4.13Å; N80-F96 HydrophobicContact CB-CD2 3.75Å; N80-F96 HydrophobicContact CB-CE1 4.14Å; N80-F96 HydrophobicContact CB-CE2 3.7Å; N80-F96 HydrophobicContact CB-CG 3.95Å; N80-F96 HydrophobicContact CB-CZ 3.93Å; N80-F96 WeakPolarHBondContact OD1-CB 3.45Å; N80-F96 WeakPolarHBondContact OD1-CD2 3.5Å; N80-F96 VanDerWaalsContact OD1-CG 3.32Å; N80-F96 WeakPolarHBondContact OD1-CG 3.35Å
81N98.4Very high96.8Very high103 Ų10370.9 Ų70.955%0.55135%0.351SS*.Hα-helixtrans-64.9-43.2178.4-67.2-12.3000112.3T77 K78 L79 F85T77-N81 WeakPolarHBondContact O-CB 3.42Å; T77-N81 VanDerWaalsContact O-CG 3.23Å; T77-N81 PolarHBondContact O-N 3.39Å; T77-N81 PolarHBondContact O-ND2 3.43Å; K78-N81 PolarHBondContact O-N 2.93Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 3.18Å; N81-F85 WeakPolarHBondContact O-CB 2.97Å; N81-F85 PolarHBondContact O-N 3.34Å
82E98.2Very high97.1Very high65 Ų6566.7 Ų66.730%0.30433%0.331SS..Hα-helixtrans-63.4-49.9-179.1-179.4174.8175.300111.8K21 K78 L79 M86K21-E82 IonicContact NZ-OE1 2.73Å; K21-E82 PolarHBondContact NZ-OE1 3.42Å; K78-E82 WeakPolarHBondContact O-CB 3.19Å; K78-E82 PolarHBondContact O-N 2.9Å; L79-E82 PolarHBondContact O-N 3.17Å; E82-M86 PolarHBondContact O-N 3.01Å
83Y98.5Very high97.4Very high3 Ų369.3 Ų69.31%0.01235%0.349CS..Hα-helixtrans-78.2-32.3-178.4-71.8-67.4000112.8I14 K21 V24 F40 L79 M86 C87I14-Y83 HydrophobicContact CB-CD2 4.48Å; I14-Y83 HydrophobicContact CB-CE2 3.95Å; I14-Y83 HydrophobicContact CD1-CD2 3.47Å; I14-Y83 VanDerWaalsContact CD1-CD2 3.47Å; I14-Y83 HydrophobicContact CD1-CE2 3.78Å; I14-Y83 HydrophobicContact CD1-CG 4.32Å; I14-Y83 HydrophobicContact CG1-CE2 4.49Å; I14-Y83 HydrophobicContact CG2-CD2 4.21Å; I14-Y83 HydrophobicContact CG2-CE1 4.39Å; I14-Y83 HydrophobicContact CG2-CE2 3.7Å; K21-Y83 WeakPolarHBondContact CA-OH 3.16Å; K21-Y83 WeakPolarHBondContact CB-OH 3.42Å; K21-Y83 PolarHBondContact N-OH 2.97Å; V24-Y83 HydrophobicContact CB-CD1 4.39Å; V24-Y83 HydrophobicContact CB-CE1 3.86Å; V24-Y83 HydrophobicContact CG1-CD1 3.87Å; V24-Y83 HydrophobicContact CG1-CE1 3.82Å; V24-Y83 HydrophobicContact CG2-CD1 4.21Å; V24-Y83 HydrophobicContact CG2-CE1 3.68Å; F40-Y83 HydrophobicContact CD1-CG 4.29Å; F40-Y83 AromaticContact CE1-CD1 3.86Å; F40-Y83 HydrophobicContact CE1-CD1 3.86Å; F40-Y83 AromaticContact CE1-CG 3.92Å; F40-Y83 HydrophobicContact CE1-CG 3.92Å; F40-Y83 HydrophobicContact CZ-CD1 4.09Å; F40-Y83 HydrophobicContact CZ-CG 4.11Å; L79-Y83 HydrophobicContact CB-CD2 4.4Å; L79-Y83 HydrophobicContact CD2-CE2 3.96Å; L79-Y83 VanDerWaalsContact O-CD2 3.24Å; L79-Y83 WeakPolarHBondContact O-CD2 3.33Å; L79-Y83 PolarHBondContact O-N 3.35Å; Y83-M86 HydrophobicContact CD1-CE 3.91Å; Y83-M86 HydrophobicContact CD1-SD 4.46Å; Y83-M86 HydrophobicContact CE1-CE 4.06Å; Y83-M86 WeakPolarHBondContact O-CB 3.33Å; Y83-M86 PolarHBondContact O-N 3.48Å; Y83-C87 PolarHBondContact O-N 3.46Å
84G98.1Very high97.7Very high1 Ų167.9 Ų67.91%0.0134%0.338CS..Hα-helixtrans-62.6-49.3173.300000111.9N80 M86 C87 E88 Y94N80-G84 WeakPolarHBondContact O-CA 3.27Å; N80-G84 PolarHBondContact O-N 2.79Å; G84-M86 VanDerWaalsContact C-N 3.26Å; G84-M86 PolarHBondContact O-N 3.02Å; G84-C87 PolarHBondContact O-N 3.48Å; G84-C87 VanDerWaalsContact O-N 3.1Å; G84-E88 WeakPolarHBondContact O-CB 3.31Å; G84-E88 VanDerWaalsContact O-CG 3.31Å; G84-E88 WeakPolarHBondContact O-CG 3.33Å; G84-E88 PolarHBondContact O-N 2.85Å; G84-Y94 VanDerWaalsContact CA-OH 3.24Å; G84-Y94 WeakPolarHBondContact CA-OH 3.48Å
85F98.3Very high97.8Very high149 Ų14968.7 Ų68.765%0.65433%0.334SS*.Hα-helixtrans-58-40173.8-177.7-97.2000112.1N81 E88 S89N81-F85 WeakPolarHBondContact O-CB 2.97Å; N81-F85 PolarHBondContact O-N 3.34Å; F85-E88 PolarHBondContact O-N 3.11Å; F85-S89 WeakPolarHBondContact O-CB 3.41Å; F85-S89 PolarHBondContact O-N 3.23Å; F85-S89 PolarHBondContact O-OG 3.09Å
86M97.8Very high97.9Very high31 Ų3165.9 Ų65.915%0.15333%0.325CS..Hα-helixtrans-59.9-47.5175-174.2-170.7-54.900111.8V24 I28 E82 Y83 G84 S89 K90V24-M86 HydrophobicContact CG1-SD 3.85Å; I28-M86 HydrophobicContact CD1-CG 4.21Å; I28-M86 HydrophobicContact CD1-SD 3.48Å; I28-M86 WeakPolarHBondContact CD1-SD 3.43Å; E82-M86 PolarHBondContact O-N 3.01Å; Y83-M86 HydrophobicContact CD1-CE 3.91Å; Y83-M86 HydrophobicContact CD1-SD 4.46Å; Y83-M86 HydrophobicContact CE1-CE 4.06Å; Y83-M86 WeakPolarHBondContact O-CB 3.33Å; Y83-M86 PolarHBondContact O-N 3.48Å; G84-M86 VanDerWaalsContact C-N 3.26Å; G84-M86 PolarHBondContact O-N 3.02Å; M86-S89 PolarHBondContact O-OG 3.39Å; M86-K90 PolarHBondContact O-N 2.54Å
87C97.9Very high98Very high0 Ų067 Ų670%033%0.331CS..Hα-helixtrans-67-42.5178.8-80.40000112.3Y83 G84 S89 K90 K91 I92 Y94Y83-C87 PolarHBondContact O-N 3.46Å; G84-C87 PolarHBondContact O-N 3.48Å; G84-C87 VanDerWaalsContact O-N 3.1Å; C87-S89 PolarHBondContact O-N 2.72Å; C87-K90 CarbonylContact O-C 3.59Å; C87-K90 PolarHBondContact O-N 3.42Å; C87-K90 VanDerWaalsContact O-N 3.13Å; C87-K91 PolarHBondContact O-N 3.17Å; C87-I92 HydrophobicContact CB-CB 4.12Å; C87-I92 PolarHBondContact O-N 2.76Å; C87-Y94 HydrophobicContact CB-CD1 3.42Å; C87-Y94 VanDerWaalsContact CB-CD1 3.42Å; C87-Y94 HydrophobicContact CB-CE1 4.07Å; C87-Y94 HydrophobicContact CB-CG 3.78Å
88E97.8Very high98Very high113 Ų11367.3 Ų67.353%0.52833%0.33SS..Hα-helixtrans-59.9-46.8177.6-73.3166.9-163.400111.9G84 F85 K90 K91 Y94G84-E88 WeakPolarHBondContact O-CB 3.31Å; G84-E88 VanDerWaalsContact O-CG 3.31Å; G84-E88 WeakPolarHBondContact O-CG 3.33Å; G84-E88 PolarHBondContact O-N 2.85Å; F85-E88 PolarHBondContact O-N 3.11Å; E88-K90 PolarHBondContact O-N 3.32Å; E88-K90 VanDerWaalsContact O-N 3.09Å; E88-K91 PolarHBondContact O-N 3.09Å; E88-Y94 HydrophobicContact CG-CE1 3.87Å; E88-Y94 PolarHBondContact OE1-OH 3.3Å
89S97.5Very high97.9Very high79 Ų7962 Ų6255%0.55231%0.306SS*.Hα-helixtrans-58.8-26.1178.173.70000113.1F85 M86 C87F85-S89 WeakPolarHBondContact O-CB 3.41Å; F85-S89 PolarHBondContact O-N 3.23Å; F85-S89 PolarHBondContact O-OG 3.09Å; M86-S89 PolarHBondContact O-OG 3.39Å; C87-S89 PolarHBondContact O-N 2.72Å
90K96.6Very high97.5Very high115 Ų11566.1 Ų66.150%0.533%0.329SS..THydrogen-bonded Turntrans-104.42179.5-64.1-172.7178-160.10113.7I28 M86 C87 E88 I92I28-K90 HydrophobicContact CG2-CD 3.69Å; M86-K90 PolarHBondContact O-N 2.54Å; C87-K90 CarbonylContact O-C 3.59Å; C87-K90 PolarHBondContact O-N 3.42Å; C87-K90 VanDerWaalsContact O-N 3.13Å; E88-K90 PolarHBondContact O-N 3.32Å; E88-K90 VanDerWaalsContact O-N 3.09Å; K90-I92 VanDerWaalsContact C-N 3.28Å; K90-I92 HydrophobicContact CB-CD1 3.84Å; K90-I92 HydrophobicContact CB-CG1 3.86Å; K90-I92 HydrophobicContact CD-CD1 4.28Å; K90-I92 PolarHBondContact O-N 2.79Å
91K97.2Very high96.9Very high191 Ų19167.1 Ų67.183%0.8335%0.352SS*.THydrogen-bonded Turntrans54.740.9-175.6-54.3179.6-179.4179.30113C87 E88C87-K91 PolarHBondContact O-N 3.17Å; E88-K91 PolarHBondContact O-N 3.09Å
92I97.7Very high96.6Very high6 Ų664.7 Ų64.73%0.03134%0.341CS..  trans-94.8120.1176-59176.8000107.9I28 Y32 V38 C87 K90 Y94I28-I92 HydrophobicContact CG1-CD1 4.24Å; I28-I92 HydrophobicContact CG2-CD1 4.22Å; Y32-I92 HydrophobicContact CD2-CD1 4.24Å; Y32-I92 HydrophobicContact CE1-CD1 4.49Å; Y32-I92 HydrophobicContact CE1-CG1 4.43Å; Y32-I92 HydrophobicContact CE2-CB 4.44Å; Y32-I92 HydrophobicContact CE2-CD1 4.01Å; Y32-I92 HydrophobicContact CE2-CG1 3.88Å; Y32-I92 HydrophobicContact CE2-CG2 3.86Å; V38-I92 HydrophobicContact CB-CG2 4.45Å; V38-I92 HydrophobicContact CG2-CG2 3.74Å; C87-I92 HydrophobicContact CB-CB 4.12Å; C87-I92 PolarHBondContact O-N 2.76Å; K90-I92 VanDerWaalsContact C-N 3.28Å; K90-I92 HydrophobicContact CB-CD1 3.84Å; K90-I92 HydrophobicContact CB-CG1 3.86Å; K90-I92 HydrophobicContact CD-CD1 4.28Å; K90-I92 PolarHBondContact O-N 2.79Å; I92-Y94 PolarHBondContact O-N 3.29Å
93P97.9Very high96.4Very high72 Ų7264.4 Ų64.447%0.46835%0.346SS..  trans-58.8132.1171-22.634.1000110.4E37 V38E37-P93 WeakPolarHBondContact CA-O 3.43Å; E37-P93 HydrophobicContact CB-CB 4.38Å; E37-P93 HydrophobicContact CG-CB 4.1Å; V38-P93 PolarHBondContact N-O 2.99Å
94Y98.5Very high96.2Very high61 Ų6165.4 Ų65.424%0.23935%0.353CS..EExtended strand (participates in β ladder)trans-145.5152.5-179.776.8-77.5000112.5V38 F40 G84 C87 E88 I92V38-Y94 CarbonylContact O-C 3.46Å; V38-Y94 WeakPolarHBondContact O-CA 3.45Å; F40-Y94 HydrophobicContact CD2-CD2 4.15Å; F40-Y94 HydrophobicContact CE2-CD2 4.25Å; F40-Y94 HydrophobicContact CE2-CG 4.44Å; G84-Y94 VanDerWaalsContact CA-OH 3.24Å; G84-Y94 WeakPolarHBondContact CA-OH 3.48Å; C87-Y94 HydrophobicContact CB-CD1 3.42Å; C87-Y94 VanDerWaalsContact CB-CD1 3.42Å; C87-Y94 HydrophobicContact CB-CE1 4.07Å; C87-Y94 HydrophobicContact CB-CG 3.78Å; E88-Y94 HydrophobicContact CG-CE1 3.87Å; E88-Y94 PolarHBondContact OE1-OH 3.3Å; I92-Y94 PolarHBondContact O-N 3.29Å
95D98.4Very high96.1Very high78 Ų7865.5 Ų65.542%0.41735%0.354SS..EExtended strand (participates in β ladder)trans-125.4158.9166-80.1-33000109.4V38 L39 F40V38-D95 PolarHBondContact O-N 3.18Å; L39-D95 HydrophobicContact CD1-CB 3.83Å; F40-D95 PolarHBondContact N-O 3.1Å
96F98.6Very high96.1Very high38 Ų3860 Ų6017%0.16733%0.332CS..EExtended strand (participates in β ladder)trans-130.5126.1176.8-171.5-78.2000109.8I14 F40 H42 L79 N80 I98I14-F96 HydrophobicContact CD1-CD2 4.13Å; I14-F96 HydrophobicContact CD1-CE2 3.43Å; I14-F96 VanDerWaalsContact CD1-CE2 3.43Å; I14-F96 HydrophobicContact CD1-CZ 4.2Å; F40-F96 HydrophobicContact CB-CD2 3.66Å; F40-F96 HydrophobicContact CB-CE2 4.29Å; F40-F96 HydrophobicContact CB-CG 4.33Å; F40-F96 HydrophobicContact CG-CD2 4.45Å; F40-F96 WeakPolarHBondContact O-CA 3.5Å; H42-F96 HydrophobicContact CB-CE1 4.07Å; H42-F96 HydrophobicContact CB-CZ 3.69Å; L79-F96 HydrophobicContact CB-CE2 4.21Å; L79-F96 HydrophobicContact CB-CZ 4.29Å; N80-F96 VanDerWaalsContact CA-CE2 3.41Å; N80-F96 HydrophobicContact CB-CD1 4.13Å; N80-F96 HydrophobicContact CB-CD2 3.75Å; N80-F96 HydrophobicContact CB-CE1 4.14Å; N80-F96 HydrophobicContact CB-CE2 3.7Å; N80-F96 HydrophobicContact CB-CG 3.95Å; N80-F96 HydrophobicContact CB-CZ 3.93Å; N80-F96 WeakPolarHBondContact OD1-CB 3.45Å; N80-F96 WeakPolarHBondContact OD1-CD2 3.5Å; N80-F96 VanDerWaalsContact OD1-CG 3.32Å; N80-F96 WeakPolarHBondContact OD1-CG 3.35Å; F96-I98 HydrophobicContact CD1-CG1 4.2Å; F96-I98 HydrophobicContact CE1-CD1 4.22Å; F96-I98 HydrophobicContact CE1-CG1 3.65Å
97V98.2Very high96.1Very high25 Ų2558.5 Ų58.515%0.15233%0.325CS..EExtended strand (participates in β ladder)trans-125141.4179.3-61.70000111.4L39 F40 V41 H42 A111L39-V97 HydrophobicContact CD1-CB 4.47Å; L39-V97 HydrophobicContact CD1-CG1 3.76Å; L39-V97 HydrophobicContact CD1-CG2 3.93Å; L39-V97 HydrophobicContact CD2-CG2 4.38Å; L39-V97 HydrophobicContact CG-CG2 4.16Å; F40-V97 WeakPolarHBondContact O-CG2 3.21Å; F40-V97 PolarHBondContact O-N 3.37Å; V41-V97 HydrophobicContact CB-CG2 4.2Å; V41-V97 HydrophobicContact CG1-CG2 4.24Å; V41-V97 HydrophobicContact CG2-CG2 3.69Å; H42-V97 PolarHBondContact N-O 3.13Å; V97-A111 HydrophobicContact CG2-CB 4.3Å
98I97.2Very high96.1Very high80 Ų8058.8 Ų58.841%0.4133%0.326SS..EExtended strand (participates in β ladder)trans-106.2126.9175.5-63.4173.7000108.1H42 I44 F96H42-I98 CarbonylContact O-C 3.55Å; H42-I98 VanDerWaalsContact O-CA 3.3Å; H42-I98 WeakPolarHBondContact O-CA 3.35Å; I44-I98 HydrophobicContact CD1-CD1 4.49Å; I44-I98 HydrophobicContact CD1-CG2 3.39Å; I44-I98 HydrophobicContact CG1-CG2 3.86Å; F96-I98 HydrophobicContact CD1-CG1 4.2Å; F96-I98 HydrophobicContact CE1-CD1 4.22Å; F96-I98 HydrophobicContact CE1-CG1 3.65Å
99K96.1Very high96.1Very high29 Ų2954.3 Ų54.313%0.12631%0.307CS..EExtended strand (participates in β ladder)trans-110.4133.1171.3-60.8-67.9-72.2-173.70109.5V41 H42 C43 I44 G107 A111 E114V41-K99 HydrophobicContact CG1-CG 4.1Å; H42-K99 PolarHBondContact O-N 2.83Å; C43-K99 CarbonylContact C-O 3.58Å; C43-K99 VanDerWaalsContact CA-O 3.31Å; C43-K99 WeakPolarHBondContact CA-O 3.44Å; I44-K99 PolarHBondContact N-O 2.93Å; K99-G107 WeakPolarHBondContact CG-O 3.42Å; K99-A111 HydrophobicContact CD-CB 4.2Å; K99-A111 HydrophobicContact CG-CB 4.16Å; K99-E114 IonicContact NZ-OE1 2.74Å; K99-E114 PolarHBondContact NZ-OE1 3.39Å; K99-E114 IonicContact NZ-OE2 2.73Å; K99-E114 PolarHBondContact NZ-OE2 2.73Å
100N91.2Very high96.1Very high95 Ų9553.8 Ų53.851%0.50830%0.296SS..EExtended strand (participates in β ladder)trans-140171.3178.963.33.8000110.1V102N100-V102 PolarHBondContact O-N 3.17Å; N100-V102 VanDerWaalsContact O-N 3.13Å
101G85.9Confident96.2Very high76 Ų7648.3 Ų48.378%0.78427%0.272SS*.SBendtrans74.7-4.9178.500000115.3
102V91.1Very high96.3Very high51 Ų5139.2 Ų39.231%0.30923%0.232SC..SBendtrans-134.4162.8175.1-65.10000110N100 V106N100-V102 PolarHBondContact O-N 3.17Å; N100-V102 VanDerWaalsContact O-N 3.13Å; V102-V106 HydrophobicContact CB-CB 4.18Å; V102-V106 HydrophobicContact CB-CG1 3.97Å; V102-V106 HydrophobicContact CG1-CG1 4.25Å; V102-V106 HydrophobicContact CG2-CB 4.35Å; V102-V106 HydrophobicContact CG2-CG1 4.17Å
103S93.3Very high96.3Very high59 Ų5944.7 Ų44.741%0.41326%0.258SS..  trans-64.1151.117570.30000111G105 V106 G107S103-G105 VanDerWaalsContact C-N 3.28Å; S103-G105 PolarHBondContact O-N 2.88Å; S103-V106 PolarHBondContact O-N 3.32Å; S103-V106 VanDerWaalsContact OG-CG2 3.32Å; S103-V106 WeakPolarHBondContact OG-CG2 3.12Å; S103-G107 PolarHBondContact O-N 3.41Å
104P95.1Very high96.3Very high24 Ų2446.2 Ų46.216%0.15626%0.258CS..Hα-helixtrans-55.1-38.9-175.8-30.936.1000114.8C43 E45 V106 G107 I108 V138C43-P104 HydrophobicContact CB-CB 3.65Å; C43-P104 HydrophobicContact CB-CG 4Å; C43-P104 PolarHBondContact SG-O 2.98Å; E45-P104 HydrophobicContact CG-CG 4.02Å; E45-P104 VanDerWaalsContact OE1-CD 3.25Å; E45-P104 WeakPolarHBondContact OE1-CD 3.37Å; P104-V106 PolarHBondContact O-N 3.29Å; P104-G107 PolarHBondContact O-N 3.44Å; P104-I108 WeakPolarHBondContact O-CD1 3.33Å; P104-I108 WeakPolarHBondContact O-CG1 3.48Å; P104-I108 PolarHBondContact O-N 3.41Å; P104-V138 HydrophobicContact CB-CG1 4.08Å; P104-V138 HydrophobicContact CB-CG2 3.98Å
105G96.4Very high96.2Very high3 Ų346 Ų463%0.03126%0.26CS..Hα-helixtrans-62-44.4177.600000112.4S103 V109 Y141S103-G105 VanDerWaalsContact C-N 3.28Å; S103-G105 PolarHBondContact O-N 2.88Å; G105-V109 WeakPolarHBondContact O-CG2 3.32Å; G105-V109 PolarHBondContact O-N 2.66Å; G105-Y141 VanDerWaalsContact CA-CD1 3.45Å; G105-Y141 WeakPolarHBondContact O-CD1 3.47Å; G105-Y141 WeakPolarHBondContact O-CE1 3.36Å
106V97.2Very high96.2Very high34 Ų3449.4 Ų49.421%0.20627%0.273CS..Hα-helixtrans-65.1-47.2176.4175.30000110.2V102 S103 P104 I108 V109 Q110 Y141V102-V106 HydrophobicContact CB-CB 4.18Å; V102-V106 HydrophobicContact CB-CG1 3.97Å; V102-V106 HydrophobicContact CG1-CG1 4.25Å; V102-V106 HydrophobicContact CG2-CB 4.35Å; V102-V106 HydrophobicContact CG2-CG1 4.17Å; S103-V106 PolarHBondContact O-N 3.32Å; S103-V106 VanDerWaalsContact OG-CG2 3.32Å; S103-V106 WeakPolarHBondContact OG-CG2 3.12Å; P104-V106 PolarHBondContact O-N 3.29Å; V106-I108 VanDerWaalsContact C-N 3.31Å; V106-I108 PolarHBondContact O-N 3.2Å; V106-V109 PolarHBondContact O-N 2.76Å; V106-Q110 HydrophobicContact CG1-CG 4.22Å; V106-Q110 WeakPolarHBondContact O-CB 3.2Å; V106-Q110 WeakPolarHBondContact O-CG 3.45Å; V106-Q110 PolarHBondContact O-N 3.41Å; V106-Y141 HydrophobicContact CB-CE1 4.47Å; V106-Y141 HydrophobicContact CG2-CE1 3.94Å; V106-Y141 HydrophobicContact CG2-CE2 4.32Å; V106-Y141 WeakPolarHBondContact CG2-OH 3.41Å
107G97.6Very high96.1Very high0 Ų047.8 Ų47.80%027%0.266CS..Hα-helixtrans-58-41.7-179.800000112.7K99 S103 P104 Q110 A111K99-G107 WeakPolarHBondContact CG-O 3.42Å; S103-G107 PolarHBondContact O-N 3.41Å; P104-G107 PolarHBondContact O-N 3.44Å; G107-Q110 PolarHBondContact O-N 2.62Å; G107-A111 WeakPolarHBondContact O-CB 3.22Å; G107-A111 PolarHBondContact O-N 3.29Å
108I98.3Very high96.1Very high5 Ų548.9 Ų48.93%0.02627%0.271CS..Hα-helixtrans-62.6-48.8175.7-68.1159.9000111.2P13 V41 P104 V106 Q110 A111 V112 I122 V138 V142P13-I108 HydrophobicContact CB-CD1 3.56Å; P13-I108 HydrophobicContact CB-CG1 3.92Å; P13-I108 HydrophobicContact CG-CD1 3.9Å; P13-I108 HydrophobicContact CG-CG1 4.03Å; P13-I108 HydrophobicContact CG-CG2 3.7Å; V41-I108 HydrophobicContact CG1-CG1 4.16Å; P104-I108 WeakPolarHBondContact O-CD1 3.33Å; P104-I108 WeakPolarHBondContact O-CG1 3.48Å; P104-I108 PolarHBondContact O-N 3.41Å; V106-I108 VanDerWaalsContact C-N 3.31Å; V106-I108 PolarHBondContact O-N 3.2Å; I108-Q110 VanDerWaalsContact C-N 3.33Å; I108-Q110 PolarHBondContact O-N 2.93Å; I108-A111 PolarHBondContact O-N 3.12Å; I108-V112 HydrophobicContact CG2-CG2 4.44Å; I108-V112 WeakPolarHBondContact O-CG2 3.24Å; I108-V112 PolarHBondContact O-N 3.12Å; I108-I122 HydrophobicContact CD1-CD1 4.27Å; I108-V138 HydrophobicContact CD1-CG1 3.64Å; I108-V142 HydrophobicContact CB-CG2 3.93Å; I108-V142 HydrophobicContact CD1-CG2 3.96Å; I108-V142 HydrophobicContact CG2-CG1 4.21Å; I108-V142 HydrophobicContact CG2-CG2 3.73Å
109V98.4Very high96.2Very high20 Ų2045.9 Ų45.912%0.12126%0.256CS..Hα-helixtrans-63.2-41.3-179.6173.60000111.1G105 V106 V112 E113 Y141 N145G105-V109 WeakPolarHBondContact O-CG2 3.32Å; G105-V109 PolarHBondContact O-N 2.66Å; V106-V109 PolarHBondContact O-N 2.76Å; V109-V112 WeakPolarHBondContact O-CB 3.3Å; V109-V112 PolarHBondContact O-N 3.05Å; V109-E113 PolarHBondContact O-N 2.98Å; V109-E113 VanDerWaalsContact O-N 3.11Å; V109-Y141 HydrophobicContact CG2-CD1 4.45Å; V109-Y141 HydrophobicContact CG2-CE1 4.21Å; V109-N145 HydrophobicContact CG2-CB 4.12Å
110Q98.1Very high96.3Very high67 Ų6744.5 Ų44.531%0.31325%0.25SC..Hα-helixtrans-61-46.7174.1-74.7178.4-18.100112V106 G107 I108 V112 E113 E114V106-Q110 HydrophobicContact CG1-CG 4.22Å; V106-Q110 WeakPolarHBondContact O-CB 3.2Å; V106-Q110 WeakPolarHBondContact O-CG 3.45Å; V106-Q110 PolarHBondContact O-N 3.41Å; G107-Q110 PolarHBondContact O-N 2.62Å; I108-Q110 VanDerWaalsContact C-N 3.33Å; I108-Q110 PolarHBondContact O-N 2.93Å; Q110-V112 VanDerWaalsContact C-N 3.27Å; Q110-V112 PolarHBondContact O-N 2.86Å; Q110-E113 PolarHBondContact O-N 3.18Å; Q110-E114 WeakPolarHBondContact O-CB 3.35Å; Q110-E114 WeakPolarHBondContact O-CG 3.31Å; Q110-E114 PolarHBondContact O-N 3.48Å
111A98.3Very high96.7Very high0 Ų040 Ų400%023%0.226CC..Hα-helixtrans-62.6-36.7178.200000111.9V41 V97 K99 G107 I108 E113 H115V41-A111 HydrophobicContact CG1-CB 4.01Å; V41-A111 HydrophobicContact CG2-CB 3.82Å; V97-A111 HydrophobicContact CG2-CB 4.3Å; K99-A111 HydrophobicContact CD-CB 4.2Å; K99-A111 HydrophobicContact CG-CB 4.16Å; G107-A111 WeakPolarHBondContact O-CB 3.22Å; G107-A111 PolarHBondContact O-N 3.29Å; I108-A111 PolarHBondContact O-N 3.12Å; A111-E113 VanDerWaalsContact C-N 3.32Å; A111-E113 PolarHBondContact O-N 2.94Å; A111-H115 VanDerWaalsContact O-CB 3.31Å; A111-H115 WeakPolarHBondContact O-CB 3.21Å; A111-H115 PolarHBondContact O-CD2 2.98Å; A111-H115 PolarHBondContact O-N 3.46Å
112V98.3Very high97.2Very high0 Ų036.9 Ų36.90%019%0.191CC..Hα-helixtrans-61.1-43.5175.71640000111C11 I108 V109 Q110 H116 V117 I120 Y147 V148C11-V112 HydrophobicContact CB-CG2 3.86Å; I108-V112 HydrophobicContact CG2-CG2 4.44Å; I108-V112 WeakPolarHBondContact O-CG2 3.24Å; I108-V112 PolarHBondContact O-N 3.12Å; V109-V112 WeakPolarHBondContact O-CB 3.3Å; V109-V112 PolarHBondContact O-N 3.05Å; Q110-V112 VanDerWaalsContact C-N 3.27Å; Q110-V112 PolarHBondContact O-N 2.86Å; V112-H116 PolarHBondContact O-N 3.45Å; V112-V117 HydrophobicContact CB-CB 4.28Å; V112-V117 HydrophobicContact CG1-CB 3.98Å; V112-V117 HydrophobicContact CG1-CG1 4.28Å; V112-V117 HydrophobicContact CG2-CB 4.3Å; V112-V117 HydrophobicContact CG2-CG1 4.3Å; V112-V117 HydrophobicContact CG2-CG2 4.47Å; V112-V117 PolarHBondContact O-N 3Å; V112-I120 HydrophobicContact CB-CD1 4.34Å; V112-I120 HydrophobicContact CG1-CD1 4.08Å; V112-I120 HydrophobicContact CG1-CG1 4.35Å; V112-I120 HydrophobicContact CG2-CD1 3.54Å; V112-I120 HydrophobicContact CG2-CG1 3.66Å; V112-Y147 HydrophobicContact CG1-CE1 3.86Å; V112-Y147 PolarHBondContact O-OH 3.47Å; V112-V148 HydrophobicContact CG1-CG2 3.69Å
113E97.8Very high97.4Very high121 Ų12134.7 Ų34.757%0.56518%0.178SC*.Hα-helixtrans-66.7-54176.3-168172.8-168.400112.7V109 Q110 A111 H115 H116 Y147V109-E113 PolarHBondContact O-N 2.98Å; V109-E113 VanDerWaalsContact O-N 3.11Å; Q110-E113 PolarHBondContact O-N 3.18Å; A111-E113 VanDerWaalsContact C-N 3.32Å; A111-E113 PolarHBondContact O-N 2.94Å; E113-H115 PolarHBondContact O-N 3.44Å; E113-H116 PolarHBondContact O-N 3.45Å; E113-H116 PolarHBondContact O-ND1 3.31Å; E113-Y147 VanDerWaalsContact CA-OH 3.32Å; E113-Y147 WeakPolarHBondContact CA-OH 3.39Å; E113-Y147 HydrophobicContact CB-CE1 3.82Å; E113-Y147 HydrophobicContact CG-CE1 4.17Å
114E97.9Very high97.3Very high104 Ų10433.1 Ų33.149%0.48617%0.165SC..Hα-helixtrans-57.3-34.7-178-73.3164.1-169.200112.5K99 Q110K99-E114 IonicContact NZ-OE1 2.74Å; K99-E114 PolarHBondContact NZ-OE1 3.39Å; K99-E114 IonicContact NZ-OE2 2.73Å; K99-E114 PolarHBondContact NZ-OE2 2.73Å; Q110-E114 WeakPolarHBondContact O-CB 3.35Å; Q110-E114 WeakPolarHBondContact O-CG 3.31Å; Q110-E114 PolarHBondContact O-N 3.48Å
115H97.9Very high96.8Very high57 Ų5734.2 Ų34.226%0.26417%0.166SC..THydrogen-bonded Turntrans-103.96.1-176.3-66.5-93.6000113.9K9 L39 A111 E113 V117K9-H115 HydrophobicContact CD-CB 4.37Å; K9-H115 WeakPolarHBondContact CD-O 3.48Å; L39-H115 HydrophobicContact CD2-CB 3.55Å; A111-H115 VanDerWaalsContact O-CB 3.31Å; A111-H115 WeakPolarHBondContact O-CB 3.21Å; A111-H115 PolarHBondContact O-CD2 2.98Å; A111-H115 PolarHBondContact O-N 3.46Å; E113-H115 PolarHBondContact O-N 3.44Å; H115-V117 VanDerWaalsContact C-N 3.31Å; H115-V117 HydrophobicContact CB-CG2 4.34Å; H115-V117 PolarHBondContact O-N 2.91Å
116H96.7Very high96.2Very high149 Ų14934.9 Ų34.969%0.6917%0.173SC*.THydrogen-bonded Turntrans52.247179.1-52.4-46000113.2V112 E113V112-H116 PolarHBondContact O-N 3.45Å; E113-H116 PolarHBondContact O-N 3.45Å; E113-H116 PolarHBondContact O-ND1 3.31Å
117V98Very high95.4Very high4 Ų438.7 Ų38.72%0.02419%0.192CC..  trans-65.1145.3177.5165.50000110.2K9 C11 L39 V112 H115 L119 I120 V148K9-V117 HydrophobicContact CD-CG2 4.31Å; K9-V117 HydrophobicContact CG-CG2 4.21Å; K9-V117 WeakPolarHBondContact O-CG1 3.38Å; C11-V117 HydrophobicContact CB-CB 4.33Å; C11-V117 HydrophobicContact CB-CG1 3.56Å; C11-V117 HydrophobicContact CB-CG2 3.95Å; L39-V117 HydrophobicContact CB-CG2 4.48Å; L39-V117 HydrophobicContact CD2-CG2 3.75Å; V112-V117 HydrophobicContact CB-CB 4.28Å; V112-V117 HydrophobicContact CG1-CB 3.98Å; V112-V117 HydrophobicContact CG1-CG1 4.28Å; V112-V117 HydrophobicContact CG2-CB 4.3Å; V112-V117 HydrophobicContact CG2-CG1 4.3Å; V112-V117 HydrophobicContact CG2-CG2 4.47Å; V112-V117 PolarHBondContact O-N 3Å; H115-V117 VanDerWaalsContact C-N 3.31Å; H115-V117 HydrophobicContact CB-CG2 4.34Å; H115-V117 PolarHBondContact O-N 2.91Å; V117-L119 WeakPolarHBondContact CG1-O 3.39Å; V117-I120 HydrophobicContact CG1-CG1 4.49Å; V117-V148 WeakPolarHBondContact O-CG1 3.3Å
118D97.9Very high94.4Very high48 Ų4841.4 Ų41.426%0.25721%0.211SC..SBendtrans-101.2-20.7178.3-57.9-87.4000113.3K6 R8 K9K6-D118 IonicContact NZ-OD1 2.79Å; K6-D118 PolarHBondContact NZ-OD1 3.42Å; R8-D118 VanDerWaalsContact CA-OD2 3.28Å; R8-D118 WeakPolarHBondContact CA-OD2 3.31Å; R8-D118 HydrophobicContact CB-CB 4.39Å; K9-D118 PolarHBondContact N-OD2 3.13Å; K9-D118 PolarHBondContact O-N 3.26Å
119L98.2Very high92.8Very high18 Ų1851.5 Ų51.59%0.09425%0.249CC..EExtended strand (participates in β ladder)trans-152.6136.4-177.2-178.669.2000110.8K9 I10 C11 V31 V117 V121 P149 I151K9-L119 PolarHBondContact O-N 3Å; I10-L119 CarbonylContact C-O 3.55Å; I10-L119 WeakPolarHBondContact CA-O 3.24Å; I10-L119 HydrophobicContact CD1-CB 3.8Å; I10-L119 HydrophobicContact CD1-CD2 4.08Å; I10-L119 HydrophobicContact CG2-CB 4.5Å; I10-L119 HydrophobicContact CG2-CD2 4.45Å; C11-L119 PolarHBondContact N-O 2.96Å; V31-L119 HydrophobicContact CG1-CD2 4.17Å; V117-L119 WeakPolarHBondContact CG1-O 3.39Å; L119-V121 HydrophobicContact CD2-CG2 4Å; L119-V121 HydrophobicContact CG-CG2 4.15Å; L119-P149 HydrophobicContact CD1-CB 3.89Å; L119-P149 WeakPolarHBondContact CD1-O 3.38Å; L119-I151 HydrophobicContact CD1-CD1 4.09Å; L119-I151 HydrophobicContact CD1-CG1 4.08Å; L119-I151 HydrophobicContact CD2-CD1 4.01Å; L119-I151 HydrophobicContact CG-CD1 4.49Å
120I98.7Very high91.4Very high0 Ų055.3 Ų55.30%027%0.268CS..EExtended strand (participates in β ladder)trans-104.2130169.7-53.7171.2000109C11 P13 V112 V117 I122 V142 A146 V148 P149 C150 I151C11-I120 HydrophobicContact CB-CG1 4.16Å; C11-I120 HydrophobicContact CB-CG2 4.48Å; P13-I120 HydrophobicContact CG-CG2 4.19Å; V112-I120 HydrophobicContact CB-CD1 4.34Å; V112-I120 HydrophobicContact CG1-CD1 4.08Å; V112-I120 HydrophobicContact CG1-CG1 4.35Å; V112-I120 HydrophobicContact CG2-CD1 3.54Å; V112-I120 HydrophobicContact CG2-CG1 3.66Å; V117-I120 HydrophobicContact CG1-CG1 4.49Å; I120-I122 HydrophobicContact CG2-CB 4.28Å; I120-I122 HydrophobicContact CG2-CG2 4.43Å; I120-V142 HydrophobicContact CD1-CG1 3.77Å; I120-V142 HydrophobicContact CG2-CG1 4.16Å; I120-A146 HydrophobicContact CD1-CB 3.59Å; I120-V148 HydrophobicContact CD1-CG2 3.96Å; I120-V148 HydrophobicContact CG1-CG2 3.78Å; I120-P149 PolarHBondContact N-O 2.88Å; I120-C150 CarbonylContact O-C 3.54Å; I120-C150 WeakPolarHBondContact O-CA 3.25Å; I120-I151 PolarHBondContact O-N 3.2Å
121V98.5Very high89.9Confident1 Ų162 Ų621%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-119.3119.3167.5-173.40000108.8I10 C11 L12 P13 W26 F27 L119 I151 V153I10-V121 HydrophobicContact CG2-CG2 4.1Å; C11-V121 PolarHBondContact O-N 3.24Å; L12-V121 HydrophobicContact CD2-CB 3.64Å; L12-V121 HydrophobicContact CD2-CG1 4.3Å; L12-V121 HydrophobicContact CD2-CG2 4.48Å; L12-V121 WeakPolarHBondContact CD2-O 3.46Å; P13-V121 VanDerWaalsContact CD-O 3.3Å; P13-V121 WeakPolarHBondContact CD-O 3.43Å; W26-V121 HydrophobicContact CE3-CG1 4.16Å; W26-V121 HydrophobicContact CZ3-CG1 4.17Å; F27-V121 HydrophobicContact CB-CB 4.47Å; F27-V121 HydrophobicContact CB-CG1 4.17Å; F27-V121 HydrophobicContact CD2-CG2 4.01Å; L119-V121 HydrophobicContact CD2-CG2 4Å; L119-V121 HydrophobicContact CG-CG2 4.15Å; V121-I151 WeakPolarHBondContact CA-O 3.43Å; V121-I151 HydrophobicContact CG1-CB 4.29Å; V121-I151 HydrophobicContact CG1-CG2 4.44Å; V121-I151 HydrophobicContact CG2-CB 4.19Å; V121-I151 HydrophobicContact CG2-CD1 4.24Å; V121-V153 HydrophobicContact CG1-CG2 3.77Å
122I97.9Very high88.7Confident10 Ų1073.5 Ų73.55%0.05134%0.339CS..EExtended strand (participates in β ladder)trans-138.4145.2-169.6-170.8178.6000111.2P13 I108 I120 V142 I151 M152 V153P13-I122 HydrophobicContact CB-CD1 4.08Å; P13-I122 HydrophobicContact CB-CG1 4.1Å; P13-I122 HydrophobicContact CG-CB 4.21Å; P13-I122 HydrophobicContact CG-CD1 3.94Å; P13-I122 HydrophobicContact CG-CG1 4Å; I108-I122 HydrophobicContact CD1-CD1 4.27Å; I120-I122 HydrophobicContact CG2-CB 4.28Å; I120-I122 HydrophobicContact CG2-CG2 4.43Å; I122-V142 HydrophobicContact CD1-CB 4.49Å; I122-V142 HydrophobicContact CD1-CG2 4.23Å; I122-I151 PolarHBondContact N-O 3.46Å; I122-M152 HydrophobicContact CG2-CE 3.79Å; I122-M152 HydrophobicContact CG2-SD 3.27Å; I122-M152 WeakPolarHBondContact CG2-SD 3.21Å; I122-M152 WeakPolarHBondContact O-CA 3.2Å; I122-V153 PolarHBondContact O-N 3.12Å
123G95.4Very high87.5Confident4 Ų476.4 Ų76.44%0.04136%0.357CS..EExtended strand (participates in β ladder)trans-64.9142.4172.400000111.6R125 M152G123-R125 PolarHBondContact O-N 2.72Å; G123-M152 WeakPolarHBondContact O-CE 3.21Å
124N90.3Very high86.4Confident26 Ų2678.1 Ų78.114%0.13937%0.369CS..SBendtrans-62.2-29.2174.6-172.618.3000112.7L134 L135 G136 S139 M152 V153N124-L134 PolarHBondContact ND2-O 2.9Å; N124-L134 PolarHBondContact OD1-O 2.73Å; N124-L135 WeakPolarHBondContact OD1-CA 3.47Å; N124-L135 WeakPolarHBondContact OD1-CD1 3.11Å; N124-G136 WeakPolarHBondContact O-CA 3.46Å; N124-G136 PolarHBondContact O-N 3.47Å; N124-S139 PolarHBondContact O-OG 3.36Å; N124-M152 HydrophobicContact CB-CE 4.04Å; N124-V153 WeakPolarHBondContact CB-O 2.9Å; N124-V153 PolarHBondContact N-O 3.15Å
125R85.9Confident85.7Confident47 Ų4775.7 Ų75.718%0.17736%0.359CS..  trans-123.8161.2176.6-56.5-57.3-171.3145.223.6110.2H19 G123 L130 T133H19-R125 HydrophobicContact CB-CB 4.21Å; H19-R125 WeakPolarHBondContact CB-O 3.36Å; H19-R125 VanDerWaalsContact CD2-CB 3.42Å; H19-R125 WeakPolarHBondContact CD2-CB 3.48Å; G123-R125 PolarHBondContact O-N 2.72Å; R125-L130 PolarHBondContact NH1-O 3.34Å; R125-L130 PolarHBondContact NH2-O 2.75Å; R125-T133 PolarHBondContact NH1-O 3.22Å; R125-T133 PolarHBondContact NH1-OG1 2.92Å; R125-T133 PolarHBondContact NH2-O 3.42Å
126G82.6Confident85Confident17 Ų1773.3 Ų73.318%0.17535%0.35CS..  trans-122.7-146.4168.600000111.2D15 S128D15-G126 VanDerWaalsContact OD2-C 3.25Å; D15-G126 WeakPolarHBondContact OD2-CA 3.47Å; G126-S128 PolarHBondContact O-N 3.48Å
127L80.2Confident84.7Confident115 Ų11570 Ų7060%0.60234%0.344SS*.SBendtrans-59-30.5175.5-65.9173.1000113.8D15 R129D15-L127 HydrophobicContact CB-CD1 4.44Å; D15-L127 HydrophobicContact CB-CG 4.31Å; D15-L127 WeakPolarHBondContact O-CD1 3.47Å; D15-L127 PolarHBondContact OD2-N 3.18Å; L127-R129 PolarHBondContact O-N 3.3Å
128S76.8Confident84.6Confident56 Ų5672 Ų7239%0.39236%0.356SS..  trans-78.5111.6-178.464.70000112.1G126 L130G126-S128 PolarHBondContact O-N 3.48Å; S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 2.93Å; S128-L130 VanDerWaalsContact O-N 3.12Å
129R65.6Low84.4Confident218 Ų21869.9 Ų69.982%0.82335%0.345SS*.  trans-84.554177.9-78.8-177.8159.7-150.2-2.8114L127 K131L127-R129 PolarHBondContact O-N 3.3Å; R129-K131 PolarHBondContact O-N 3.35Å
130L68.2Low84.2Confident100 Ų10070.8 Ų70.852%0.52435%0.352SS..  trans-67.9101.5173.6-68.2179000110.4R125 S128 R132R125-L130 PolarHBondContact NH1-O 3.34Å; R125-L130 PolarHBondContact NH2-O 2.75Å; S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 2.93Å; S128-L130 VanDerWaalsContact O-N 3.12Å; L130-R132 PolarHBondContact O-N 3.2Å; L130-R132 VanDerWaalsContact O-N 3.09Å
131K67.1Low84.1Confident208 Ų20874.9 Ų74.990%0.90437%0.368SS*.THydrogen-bonded Turntrans-60-20.3-175.7-69-173.5177.3-178.40114.7R129R129-K131 PolarHBondContact O-N 3.35Å
132R72.1Confident84.1Confident241 Ų24174.8 Ų74.891%0.90937%0.368SS*.THydrogen-bonded Turntrans-101.9-20.1-167.8-160.7172.867.4-1720.7115.8L130L130-R132 PolarHBondContact O-N 3.2Å; L130-R132 VanDerWaalsContact O-N 3.09Å
133T74.7Confident84Confident61 Ų6177.2 Ų77.237%0.37438%0.383SS..  trans-86157.1-179.963.50000110.2R125 L135R125-T133 PolarHBondContact NH1-O 3.22Å; R125-T133 PolarHBondContact NH1-OG1 2.92Å; R125-T133 PolarHBondContact NH2-O 3.42Å; T133-L135 WeakPolarHBondContact CB-O 3.22Å; T133-L135 PolarHBondContact OG1-O 3.26Å
134L74.8Confident84Confident156 Ų15683.8 Ų83.882%0.81741%0.413SS*.SBendtrans-85.9-32.8169.9-73.3171.4000111.4N124N124-L134 PolarHBondContact ND2-O 2.9Å; N124-L134 PolarHBondContact OD1-O 2.73Å
135L81.4Confident84.4Confident54 Ų5486.3 Ų86.328%0.28343%0.426SS..SBendtrans-113.7141.9-178.6-166.455.9000110N124 T133 S139 S140 M152N124-L135 WeakPolarHBondContact OD1-CA 3.47Å; N124-L135 WeakPolarHBondContact OD1-CD1 3.11Å; T133-L135 WeakPolarHBondContact CB-O 3.22Å; T133-L135 PolarHBondContact OG1-O 3.26Å; L135-S139 WeakPolarHBondContact CD1-OG 3.34Å; L135-S140 VanDerWaalsContact CD2-CA 3.45Å; L135-M152 HydrophobicContact CD1-CE 3.8Å; L135-M152 HydrophobicContact CD1-SD 4.43Å
136G85Confident85Confident6 Ų685.1 Ų85.16%0.06243%0.426CS..  trans-68.9155.3169.900000111.5N124 V138 S139 S140N124-G136 WeakPolarHBondContact O-CA 3.46Å; N124-G136 PolarHBondContact O-N 3.47Å; G136-V138 VanDerWaalsContact C-N 3.35Å; G136-V138 PolarHBondContact O-N 3.38Å; G136-S139 VanDerWaalsContact CA-OG 3.31Å; G136-S139 WeakPolarHBondContact CA-OG 3.42Å; G136-S139 PolarHBondContact N-OG 2.98Å; G136-S139 VanDerWaalsContact N-OG 3.15Å; G136-S139 PolarHBondContact O-OG 3.47Å; G136-S139 VanDerWaalsContact O-OG 3.11Å; G136-S140 WeakPolarHBondContact O-CB 3.32Å; G136-S140 PolarHBondContact O-N 3.48Å
137S90.3Very high85.6Confident80 Ų8090.3 Ų90.356%0.55944%0.441SS*.Hα-helixtrans-60.5-44.9178.950.70000111.9Y141S137-Y141 WeakPolarHBondContact O-CB 3.42Å; S137-Y141 PolarHBondContact O-N 2.89Å
138V94.6Very high86.4Confident46 Ų4685.8 Ų85.828%0.27942%0.418SS..Hα-helixtrans-67.1-49.5-179.9-179.30000111.4P104 I108 G136 S140 Y141 V142P104-V138 HydrophobicContact CB-CG1 4.08Å; P104-V138 HydrophobicContact CB-CG2 3.98Å; I108-V138 HydrophobicContact CD1-CG1 3.64Å; G136-V138 VanDerWaalsContact C-N 3.35Å; G136-V138 PolarHBondContact O-N 3.38Å; V138-S140 VanDerWaalsContact C-N 3.32Å; V138-S140 PolarHBondContact O-N 3.37Å; V138-Y141 WeakPolarHBondContact O-CB 3.34Å; V138-Y141 PolarHBondContact O-N 3.36Å; V138-V142 WeakPolarHBondContact O-CG2 3.49Å; V138-V142 PolarHBondContact O-N 2.93Å
139S94.1Very high87.4Confident4 Ų487.4 Ų87.43%0.02843%0.427CS..Hα-helixtrans-62.8-39.2177.842.40000112.5N124 L135 G136 V142 V143N124-S139 PolarHBondContact O-OG 3.36Å; L135-S139 WeakPolarHBondContact CD1-OG 3.34Å; G136-S139 VanDerWaalsContact CA-OG 3.31Å; G136-S139 WeakPolarHBondContact CA-OG 3.42Å; G136-S139 PolarHBondContact N-OG 2.98Å; G136-S139 VanDerWaalsContact N-OG 3.15Å; G136-S139 PolarHBondContact O-OG 3.47Å; G136-S139 VanDerWaalsContact O-OG 3.11Å; S139-V142 PolarHBondContact O-N 2.91Å; S139-V143 WeakPolarHBondContact O-CG2 3.4Å; S139-V143 PolarHBondContact O-N 3.01Å
140S94.4Very high89Confident36 Ų3678.9 Ų78.925%0.25240%0.401SS..Hα-helixtrans-58.7-50.3171.5-169.60000111.1L135 G136 V138 V142 V143 H144L135-S140 VanDerWaalsContact CD2-CA 3.45Å; G136-S140 WeakPolarHBondContact O-CB 3.32Å; G136-S140 PolarHBondContact O-N 3.48Å; V138-S140 VanDerWaalsContact C-N 3.32Å; V138-S140 PolarHBondContact O-N 3.37Å; S140-V142 VanDerWaalsContact C-N 3.34Å; S140-V142 PolarHBondContact O-N 3.34Å; S140-V143 PolarHBondContact O-N 2.71Å; S140-H144 PolarHBondContact O-N 2.73Å; S140-H144 VanDerWaalsContact O-N 3.14Å; S140-H144 PolarHBondContact O-ND1 2.77Å; S140-H144 PolarHBondContact OG-CE1 3.35Å; S140-H144 PolarHBondContact OG-ND1 3.34Å
141Y96.6Very high90.4Very high86 Ų8676.4 Ų76.434%0.33739%0.388SS..Hα-helixtrans-56.9-48.2178.9-174.5-82.8000111.7G105 V106 V109 S137 V138 V143 H144 N145G105-Y141 VanDerWaalsContact CA-CD1 3.45Å; G105-Y141 WeakPolarHBondContact O-CD1 3.47Å; G105-Y141 WeakPolarHBondContact O-CE1 3.36Å; V106-Y141 HydrophobicContact CB-CE1 4.47Å; V106-Y141 HydrophobicContact CG2-CE1 3.94Å; V106-Y141 HydrophobicContact CG2-CE2 4.32Å; V106-Y141 WeakPolarHBondContact CG2-OH 3.41Å; V109-Y141 HydrophobicContact CG2-CD1 4.45Å; V109-Y141 HydrophobicContact CG2-CE1 4.21Å; S137-Y141 WeakPolarHBondContact O-CB 3.42Å; S137-Y141 PolarHBondContact O-N 2.89Å; V138-Y141 WeakPolarHBondContact O-CB 3.34Å; V138-Y141 PolarHBondContact O-N 3.36Å; Y141-V143 PolarHBondContact O-N 3.48Å; Y141-H144 PolarHBondContact O-N 2.75Å; Y141-N145 HydrophobicContact CD1-CB 4.48Å; Y141-N145 HydrophobicContact CE1-CB 4.07Å; Y141-N145 WeakPolarHBondContact O-CB 3.4Å; Y141-N145 PolarHBondContact O-N 3.12Å; Y141-N145 VanDerWaalsContact O-N 3.1Å; Y141-N145 PolarHBondContact O-ND2 2.83Å
142V97.9Very high91.8Very high0 Ų069.1 Ų69.10%036%0.358CS..Hα-helixtrans-60.6-48.3-179.31720000111.2I108 I120 I122 V138 S139 S140 H144 N145 A146I108-V142 HydrophobicContact CB-CG2 3.93Å; I108-V142 HydrophobicContact CD1-CG2 3.96Å; I108-V142 HydrophobicContact CG2-CG1 4.21Å; I108-V142 HydrophobicContact CG2-CG2 3.73Å; I120-V142 HydrophobicContact CD1-CG1 3.77Å; I120-V142 HydrophobicContact CG2-CG1 4.16Å; I122-V142 HydrophobicContact CD1-CB 4.49Å; I122-V142 HydrophobicContact CD1-CG2 4.23Å; V138-V142 WeakPolarHBondContact O-CG2 3.49Å; V138-V142 PolarHBondContact O-N 2.93Å; S139-V142 PolarHBondContact O-N 2.91Å; S140-V142 VanDerWaalsContact C-N 3.34Å; S140-V142 PolarHBondContact O-N 3.34Å; V142-H144 VanDerWaalsContact C-N 3.26Å; V142-H144 PolarHBondContact O-N 3.15Å; V142-N145 PolarHBondContact O-N 3.3Å; V142-A146 HydrophobicContact CG1-CB 4.44Å; V142-A146 WeakPolarHBondContact O-CB 3.31Å; V142-A146 PolarHBondContact O-N 3.44Å
143V95.7Very high92.9Very high61 Ų6157.9 Ų57.937%0.3732%0.315SS..Hα-helixtrans-62.2-33.4-179.1171.20000112.4S139 S140 Y141 C150 M152S139-V143 WeakPolarHBondContact O-CG2 3.4Å; S139-V143 PolarHBondContact O-N 3.01Å; S140-V143 PolarHBondContact O-N 2.71Å; Y141-V143 PolarHBondContact O-N 3.48Å; V143-C150 HydrophobicContact CG2-CB 4.11Å; V143-M152 HydrophobicContact CG2-CG 3.84Å; V143-M152 HydrophobicContact CG2-SD 3.45Å; V143-M152 WeakPolarHBondContact CG2-SD 3.42Å
144H96.8Very high93.7Very high142 Ų14258.3 Ų58.366%0.65732%0.319SS*.Hα-helixtrans-80.7-22.4179.2-71.389000114S140 Y141 V142S140-H144 PolarHBondContact O-N 2.73Å; S140-H144 VanDerWaalsContact O-N 3.14Å; S140-H144 PolarHBondContact O-ND1 2.77Å; S140-H144 PolarHBondContact OG-CE1 3.35Å; S140-H144 PolarHBondContact OG-ND1 3.34Å; Y141-H144 PolarHBondContact O-N 2.75Å; V142-H144 VanDerWaalsContact C-N 3.26Å; V142-H144 PolarHBondContact O-N 3.15Å
145N98Very high94.3Very high79 Ų7953.5 Ų53.542%0.42230%0.297SS..Hα-helixtrans-118.3-11-170.9-65.9-86.1000114.2V109 Y141 V142V109-N145 HydrophobicContact CG2-CB 4.12Å; Y141-N145 HydrophobicContact CD1-CB 4.48Å; Y141-N145 HydrophobicContact CE1-CB 4.07Å; Y141-N145 WeakPolarHBondContact O-CB 3.4Å; Y141-N145 PolarHBondContact O-N 3.12Å; Y141-N145 VanDerWaalsContact O-N 3.1Å; Y141-N145 PolarHBondContact O-ND2 2.83Å; V142-N145 PolarHBondContact O-N 3.3Å
146A97.3Very high94.3Very high21 Ų2159.5 Ų59.517%0.17434%0.336CS..  trans-71135.7176.200000111.3I120 V142 V148 C150I120-A146 HydrophobicContact CD1-CB 3.59Å; V142-A146 HydrophobicContact CG1-CB 4.44Å; V142-A146 WeakPolarHBondContact O-CB 3.31Å; V142-A146 PolarHBondContact O-N 3.44Å; A146-V148 VanDerWaalsContact C-N 3.31Å; A146-C150 VanDerWaalsContact CB-SG 3.57Å
147Y95.4Very high94.8Very high126 Ų12662.2 Ų62.249%0.49435%0.35SS..SBendtrans-87.3-1.8174.368.9-89.7000113.1V112 E113V112-Y147 HydrophobicContact CG1-CE1 3.86Å; V112-Y147 PolarHBondContact O-OH 3.47Å; E113-Y147 VanDerWaalsContact CA-OH 3.32Å; E113-Y147 WeakPolarHBondContact CA-OH 3.39Å; E113-Y147 HydrophobicContact CB-CE1 3.82Å; E113-Y147 HydrophobicContact CG-CE1 4.17Å
148V98.1Very high95Very high21 Ų2161.2 Ų61.213%0.12734%0.339CS..SBendtrans-117.2159.6178.1-58.50000111.4V112 V117 I120 A146 C150V112-V148 HydrophobicContact CG1-CG2 3.69Å; V117-V148 WeakPolarHBondContact O-CG1 3.3Å; I120-V148 HydrophobicContact CD1-CG2 3.96Å; I120-V148 HydrophobicContact CG1-CG2 3.78Å; A146-V148 VanDerWaalsContact C-N 3.31Å; V148-C150 PolarHBondContact O-N 3.41Å
149P98.1Very high95Very high89 Ų8962.1 Ų62.158%0.57834%0.342SS*.  trans-54.1141.5175.9-26.936000112.8L119 I120L119-P149 HydrophobicContact CD1-CB 3.89Å; L119-P149 WeakPolarHBondContact CD1-O 3.38Å; I120-P149 PolarHBondContact N-O 2.88Å
150C98.1Very high95.1Very high40 Ų4065.5 Ų65.527%0.2736%0.36SS..EExtended strand (participates in β ladder)trans-119.9135177.8-69.70000110.3I120 V143 A146 V148I120-C150 CarbonylContact O-C 3.54Å; I120-C150 WeakPolarHBondContact O-CA 3.25Å; V143-C150 HydrophobicContact CG2-CB 4.11Å; A146-C150 VanDerWaalsContact CB-SG 3.57Å; V148-C150 PolarHBondContact O-N 3.41Å
151I97.7Very high95.1Very high48 Ų4867.3 Ų67.325%0.24637%0.367CS..EExtended strand (participates in β ladder)trans-111.7123.2168.4-58.1174.1000108.9W26 V31 L119 I120 V121 I122W26-I151 HydrophobicContact CH2-CG2 3.73Å; W26-I151 HydrophobicContact CZ3-CD1 4.46Å; W26-I151 HydrophobicContact CZ3-CG2 3.59Å; V31-I151 HydrophobicContact CG1-CD1 4.26Å; V31-I151 HydrophobicContact CG2-CD1 4.41Å; L119-I151 HydrophobicContact CD1-CD1 4.09Å; L119-I151 HydrophobicContact CD1-CG1 4.08Å; L119-I151 HydrophobicContact CD2-CD1 4.01Å; L119-I151 HydrophobicContact CG-CD1 4.49Å; I120-I151 PolarHBondContact O-N 3.2Å; V121-I151 WeakPolarHBondContact CA-O 3.43Å; V121-I151 HydrophobicContact CG1-CB 4.29Å; V121-I151 HydrophobicContact CG1-CG2 4.44Å; V121-I151 HydrophobicContact CG2-CB 4.19Å; V121-I151 HydrophobicContact CG2-CD1 4.24Å; I122-I151 PolarHBondContact N-O 3.46Å
152M96Very high95Very high55 Ų5566.1 Ų66.127%0.27137%0.369SS..EExtended strand (participates in β ladder)trans-96.2122.7176.5-68-55.4-43.300110.5I122 G123 N124 L135 V143 P154I122-M152 HydrophobicContact CG2-CE 3.79Å; I122-M152 HydrophobicContact CG2-SD 3.27Å; I122-M152 WeakPolarHBondContact CG2-SD 3.21Å; I122-M152 WeakPolarHBondContact O-CA 3.2Å; G123-M152 WeakPolarHBondContact O-CE 3.21Å; N124-M152 HydrophobicContact CB-CE 4.04Å; L135-M152 HydrophobicContact CD1-CE 3.8Å; L135-M152 HydrophobicContact CD1-SD 4.43Å; V143-M152 HydrophobicContact CG2-CG 3.84Å; V143-M152 HydrophobicContact CG2-SD 3.45Å; V143-M152 WeakPolarHBondContact CG2-SD 3.42Å; M152-P154 WeakPolarHBondContact O-CD 3.4Å
153V96.1Very high94.8Very high4 Ų470.8 Ų70.82%0.02440%0.395CS..EExtended strand (participates in β ladder)trans-100.9111.2177.9-173.10000109.9R22 A23 W26 V121 I122 N124R22-V153 HydrophobicContact CG-CG1 4.14Å; A23-V153 HydrophobicContact CB-CB 3.92Å; A23-V153 HydrophobicContact CB-CG2 3.91Å; W26-V153 HydrophobicContact CB-CG1 4.1Å; W26-V153 HydrophobicContact CD2-CG1 4.4Å; W26-V153 HydrophobicContact CD2-CG2 4Å; W26-V153 HydrophobicContact CE3-CG2 3.54Å; W26-V153 HydrophobicContact CG-CG1 4.1Å; W26-V153 HydrophobicContact CG-CG2 4.44Å; W26-V153 HydrophobicContact CZ3-CG2 4.11Å; V121-V153 HydrophobicContact CG1-CG2 3.77Å; I122-V153 PolarHBondContact O-N 3.12Å; N124-V153 WeakPolarHBondContact CB-O 2.9Å; N124-V153 PolarHBondContact N-O 3.15Å
154P92.1Very high94.7Very high70 Ų7071.5 Ų71.546%0.45540%0.397SS..  trans-71.8162.1-18030.4-35.2000112.2R22 M152R22-P154 PolarHBondContact NE-O 2.94Å; M152-P154 WeakPolarHBondContact O-CD 3.4Å
155P86.7Confident94.6Very high55 Ų5565.7 Ų65.736%0.35738%0.376SS..  trans-59.1165.216628.7-35.6000111.8
156V81.1Confident94.2Very high180 Ų18064.5 Ų64.5100%1.09137%0.372SS*.  trans-80.80163.8-68.60000110.7R22R22-V156 VanDerWaalsContact NH1-CG1 3.25Å

Retrieved 156 of 156 residues in 128.8 ms (Link to these results)

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