A0AA82N7X9_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7X9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 306 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
1M93.1Very high91.5Very high104 Ų10474.9 Ų74.951%0.51237%0.369SS..  0129.50-178177.869.900107.9I3 I144 V146 V157 E158 F159M1-I3 HydrophobicContact CE-CD1 4.2Å; M1-I3 HydrophobicContact CG-CG1 4.43Å; M1-I144 HydrophobicContact CB-CG2 4.43Å; M1-I144 HydrophobicContact SD-CG2 4.17Å; M1-V146 HydrophobicContact SD-CG2 4.3Å; M1-V157 HydrophobicContact CG-CG1 3.67Å; M1-V157 HydrophobicContact SD-CG1 4Å; M1-E158 CarbonylContact C-O 3.57Å; M1-E158 WeakPolarHBondContact CA-O 3.35Å; M1-F159 HydrophobicContact CB-CD1 3.95Å; M1-F159 HydrophobicContact CB-CE1 3.99Å; M1-F159 HydrophobicContact CG-CD1 4.05Å; M1-F159 HydrophobicContact CG-CE1 3.7Å; M1-F159 HydrophobicContact CG-CZ 4.25Å; M1-F159 HydrophobicContact SD-CD1 4.5Å; M1-F159 HydrophobicContact SD-CE1 3.61Å; M1-F159 HydrophobicContact SD-CZ 4Å
2R92.5Very high91.7Very high43 Ų4372.8 Ų72.816%0.16237%0.366CS..EExtended strand (participates in β ladder)trans-129.3138.7178.5-178.5174.3-177.3-100.4-25.7108.2V157 E158 D209R2-V157 CarbonylContact O-C 3.42Å; R2-V157 VanDerWaalsContact O-CA 3.3Å; R2-V157 WeakPolarHBondContact O-CA 3.32Å; R2-E158 PolarHBondContact N-O 2.91Å; R2-E158 IonicContact NH1-OE2 3.7Å; R2-E158 PolarHBondContact NH1-OE2 2.84Å; R2-E158 PolarHBondContact O-N 3.3Å; R2-D209 WeakPolarHBondContact CD-OD2 3.49Å; R2-D209 IonicContact CZ-OD2 2.74Å; R2-D209 IonicContact NE-OD2 3.86Å; R2-D209 PolarHBondContact NE-OD2 3.31Å; R2-D209 IonicContact NH2-OD2 2.66Å
3I94.8Very high91.8Very high50 Ų5070.5 Ų70.526%0.25636%0.361SS..EExtended strand (participates in β ladder)trans-125.3125.2-177.2-54.4-175.7000108.1M1 V146 W150 L156 V157M1-I3 HydrophobicContact CE-CD1 4.2Å; M1-I3 HydrophobicContact CG-CG1 4.43Å; I3-V146 HydrophobicContact CD1-CG1 4.35Å; I3-W150 HydrophobicContact CD1-CB 3.93Å; I3-W150 HydrophobicContact CD1-CG 3.8Å; I3-W150 HydrophobicContact CG2-CB 4Å; I3-W150 HydrophobicContact CG2-CD2 4.42Å; I3-W150 HydrophobicContact CG2-CG 4.18Å; I3-L156 CarbonylContact C-O 3.57Å; I3-L156 WeakPolarHBondContact CA-O 3.43Å; I3-V157 HydrophobicContact CG1-CG1 4.26Å; I3-V157 HydrophobicContact CG1-CG2 4.13Å; I3-V157 HydrophobicContact CG2-CG2 4.36Å
4Q94.1Very high91.9Very high42 Ų4275.9 Ų75.920%0.19638%0.384CS..EExtended strand (participates in β ladder)trans-121.6145175.7-61.9179.9-90.900109.8Q7 S155 L156Q4-Q7 HydrophobicContact CB-CG 3.79Å; Q4-S155 CarbonylContact O-C 3.52Å; Q4-S155 WeakPolarHBondContact O-CA 3.36Å; Q4-L156 PolarHBondContact N-O 2.78Å; Q4-L156 PolarHBondContact O-N 2.79Å
5R94.4Very high92.1Very high92 Ų9277.7 Ų77.735%0.34738%0.384SS..SBendtrans-110.4164.9177.7-59.8179.479-162.13.2110.7Q7 E152 G154R5-Q7 PolarHBondContact O-N 3.15Å; R5-Q7 PolarHBondContact O-NE2 3.45Å; R5-E152 IonicContact CZ-OE1 3Å; R5-E152 IonicContact NE-OE1 2.65Å; R5-E152 PolarHBondContact NE-OE1 2.95Å; R5-E152 IonicContact NH2-OE1 2.69Å; R5-E152 PolarHBondContact NH2-OE1 2.95Å; R5-E152 IonicContact NH2-OE2 3.03Å; R5-E152 PolarHBondContact NH2-OE2 3.45Å; R5-G154 CarbonylContact C-O 3.54Å
6Y93.1Very high92.2Very high190 Ų19073.1 Ų73.175%0.74536%0.361SS*.SBendtrans56.334.7177.2-45.6-70.4000112.8G154Y6-G154 PolarHBondContact N-O 2.83Å
7Q93.3Very high92Very high65 Ų6576.5 Ų76.530%0.30438%0.379SS..PPolyproline II helixtrans-82.8143.8175.5-58.3-55.4-69.900109.2Q4 R5 Y112 G154 L156Q4-Q7 HydrophobicContact CB-CG 3.79Å; R5-Q7 PolarHBondContact O-N 3.15Å; R5-Q7 PolarHBondContact O-NE2 3.45Å; Q7-Y112 HydrophobicContact CB-CE2 4.03Å; Q7-Y112 PolarHBondContact O-OH 2.63Å; Q7-G154 PolarHBondContact N-O 3.22Å; Q7-L156 HydrophobicContact CB-CB 4.18Å; Q7-L156 HydrophobicContact CG-CB 3.77Å; Q7-L156 HydrophobicContact CG-CD2 4.39Å
8S90.2Very high91.4Very high100 Ų10076.3 Ų76.370%0.69938%0.38SS*.PPolyproline II helixtrans-71.1163.2168.956.10000110.7A10 Y112S8-A10 PolarHBondContact O-N 3.24Å; S8-A10 VanDerWaalsContact O-N 3.14Å; S8-Y112 VanDerWaalsContact O-CE2 3.28Å; S8-Y112 WeakPolarHBondContact O-CE2 3.33Å; S8-Y112 PolarHBondContact O-OH 3.44Å
9Q85.9Confident90.9Very high79 Ų7980 Ų8037%0.36939%0.393SS..PPolyproline II helixtrans-53.4122.7175.4-1671763100110.8V11 S13 Y112 D114Q9-V11 VanDerWaalsContact C-N 3.3Å; Q9-V11 VanDerWaalsContact CD-O 3.3Å; Q9-V11 VanDerWaalsContact CG-O 3.31Å; Q9-V11 WeakPolarHBondContact CG-O 3.42Å; Q9-V11 PolarHBondContact O-N 3.07Å; Q9-S13 PolarHBondContact NE2-OG 3.06Å; Q9-S13 VanDerWaalsContact NE2-OG 3.09Å; Q9-Y112 WeakPolarHBondContact CA-OH 3.06Å; Q9-Y112 HydrophobicContact CB-CE1 4.13Å; Q9-Y112 HydrophobicContact CG-CD1 4.49Å; Q9-Y112 HydrophobicContact CG-CE1 3.99Å; Q9-Y112 PolarHBondContact N-OH 3.02Å; Q9-Y112 VanDerWaalsContact N-OH 3.15Å; Q9-D114 WeakPolarHBondContact CG-OD1 3.47Å; Q9-D114 PolarHBondContact NE2-OD1 3.06Å
10A83.2Confident89.9Confident52 Ų5277 Ų7743%0.4338%0.379SS..SBendtrans-65.9-35.3-174.500000112.3S8 L102 Y112S8-A10 PolarHBondContact O-N 3.24Å; S8-A10 VanDerWaalsContact O-N 3.14Å; A10-L102 HydrophobicContact CB-CD1 4.04Å; A10-Y112 HydrophobicContact CB-CG 4.32Å
11V92.6Very high88.7Confident7 Ų780.5 Ų80.54%0.04240%0.399CS..SBendtrans-143.6129.2-179.5-1760000108.7Q9 S13 R15 F16 L74 L79 L102Q9-V11 VanDerWaalsContact C-N 3.3Å; Q9-V11 VanDerWaalsContact CD-O 3.3Å; Q9-V11 VanDerWaalsContact CG-O 3.31Å; Q9-V11 WeakPolarHBondContact CG-O 3.42Å; Q9-V11 PolarHBondContact O-N 3.07Å; V11-S13 PolarHBondContact O-N 2.94Å; V11-R15 HydrophobicContact CG1-CB 4.11Å; V11-R15 HydrophobicContact CG1-CG 4.43Å; V11-F16 HydrophobicContact CB-CE2 3.93Å; V11-F16 HydrophobicContact CB-CZ 4.17Å; V11-F16 HydrophobicContact CG1-CE2 3.83Å; V11-F16 HydrophobicContact CG1-CZ 4.24Å; V11-L74 HydrophobicContact CG1-CD2 4Å; V11-L79 HydrophobicContact CG2-CD2 3.61Å; V11-L102 HydrophobicContact CG2-CD1 3.71Å; V11-L102 HydrophobicContact CG2-CD2 4Å
12P93.4Very high87.6Confident50 Ų5079.8 Ų79.833%0.32540%0.397SS..  trans-56.9137177.3-2432.5000113E14 R15P12-E14 HydrophobicContact CB-CG 4.25Å; P12-E14 WeakPolarHBondContact CB-OE1 3.36Å; P12-E14 VanDerWaalsContact CB-OE2 3.29Å; P12-E14 WeakPolarHBondContact CB-OE2 3.48Å; P12-E14 PolarHBondContact O-N 3.28Å; P12-E14 VanDerWaalsContact O-N 3.16Å; P12-R15 PolarHBondContact O-N 2.98Å; P12-R15 VanDerWaalsContact O-N 3.1Å
13S93.1Very high87Confident43 Ų4380.5 Ų80.530%0.30140%0.402SS..G310 helixtrans-58.3-29.5-175.8-77.90000114Q9 V11 R15 F16 Q83Q9-S13 PolarHBondContact NE2-OG 3.06Å; Q9-S13 VanDerWaalsContact NE2-OG 3.09Å; V11-S13 PolarHBondContact O-N 2.94Å; S13-R15 PolarHBondContact O-N 3.21Å; S13-F16 PolarHBondContact O-N 3.14Å; S13-F16 VanDerWaalsContact O-N 3.14Å; S13-Q83 PolarHBondContact OG-NE2 3.01Å; S13-Q83 PolarHBondContact OG-OE1 3.03Å
14E93.2Very high86.8Confident146 Ų14684 Ų8468%0.68241%0.412SS*.G310 helixtrans-64.5-20.3178.662.6-88.8-160.100114P12 F16 I17P12-E14 HydrophobicContact CB-CG 4.25Å; P12-E14 WeakPolarHBondContact CB-OE1 3.36Å; P12-E14 VanDerWaalsContact CB-OE2 3.29Å; P12-E14 WeakPolarHBondContact CB-OE2 3.48Å; P12-E14 PolarHBondContact O-N 3.28Å; P12-E14 VanDerWaalsContact O-N 3.16Å; E14-F16 VanDerWaalsContact C-N 3.28Å; E14-F16 PolarHBondContact O-N 3.43Å; E14-I17 WeakPolarHBondContact O-CG1 3.4Å
15R94.8Very high86.7Confident102 Ų10282 Ų8239%0.38540%0.404SS..G310 helixtrans-75.2-19.5176.4-61.6-178.865.7178.615.3112.4V11 P12 S13 I17 L74 E76V11-R15 HydrophobicContact CG1-CB 4.11Å; V11-R15 HydrophobicContact CG1-CG 4.43Å; P12-R15 PolarHBondContact O-N 2.98Å; P12-R15 VanDerWaalsContact O-N 3.1Å; S13-R15 PolarHBondContact O-N 3.21Å; R15-I17 PolarHBondContact O-N 3.36Å; R15-I17 VanDerWaalsContact O-N 3.12Å; R15-L74 HydrophobicContact CB-CD1 3.56Å; R15-L74 WeakPolarHBondContact O-CD1 3.43Å; R15-E76 IonicContact CZ-OE1 2.72Å; R15-E76 VanDerWaalsContact CZ-OE1 3.3Å; R15-E76 IonicContact CZ-OE2 3.92Å; R15-E76 VanDerWaalsContact CZ-OE2 3.29Å; R15-E76 IonicContact NE-OE1 3.48Å; R15-E76 PolarHBondContact NE-OE1 3.36Å; R15-E76 IonicContact NE-OE2 3.34Å; R15-E76 IonicContact NH2-OE1 3.78Å; R15-E76 PolarHBondContact NH2-OE1 3.17Å; R15-E76 IonicContact NH2-OE2 2.69Å; R15-E76 PolarHBondContact NH2-OE2 2.9Å
16F94.1Very high86.7Confident4 Ų483.2 Ų83.22%0.01841%0.413CS..  trans-84.583.5175.3-61.4-94.4000110.1V11 S13 E14 R72 L74 Q83 T100 L102V11-F16 HydrophobicContact CB-CE2 3.93Å; V11-F16 HydrophobicContact CB-CZ 4.17Å; V11-F16 HydrophobicContact CG1-CE2 3.83Å; V11-F16 HydrophobicContact CG1-CZ 4.24Å; S13-F16 PolarHBondContact O-N 3.14Å; S13-F16 VanDerWaalsContact O-N 3.14Å; E14-F16 VanDerWaalsContact C-N 3.28Å; E14-F16 PolarHBondContact O-N 3.43Å; F16-R72 HydrophobicContact CB-CB 3.7Å; F16-R72 WeakPolarHBondContact CD1-O 3.44Å; F16-R72 WeakPolarHBondContact O-CB 3.48Å; F16-R72 WeakPolarHBondContact O-CD 3.23Å; F16-L74 HydrophobicContact CD1-CB 3.59Å; F16-L74 HydrophobicContact CE1-CB 3.6Å; F16-L74 HydrophobicContact CE1-CD2 4.38Å; F16-L74 HydrophobicContact CG-CB 4.26Å; F16-L74 HydrophobicContact CZ-CB 4.29Å; F16-L74 HydrophobicContact CZ-CD2 4.33Å; F16-Q83 HydrophobicContact CB-CB 4.39Å; F16-Q83 HydrophobicContact CD1-CB 3.76Å; F16-Q83 HydrophobicContact CD2-CB 4.05Å; F16-Q83 HydrophobicContact CE1-CB 3.97Å; F16-Q83 HydrophobicContact CE2-CB 4.24Å; F16-Q83 HydrophobicContact CG-CB 3.8Å; F16-Q83 HydrophobicContact CZ-CB 4.2Å; F16-T100 HydrophobicContact CE1-CG2 4.07Å; F16-T100 HydrophobicContact CE2-CG2 4.36Å; F16-T100 HydrophobicContact CZ-CG2 3.53Å; F16-L102 HydrophobicContact CE1-CD2 4.46Å; F16-L102 HydrophobicContact CZ-CD2 4.11Å
17I87.7Confident86.7Confident132 Ų13275 Ų7568%0.67738%0.383SS*.  trans-90.8-36.4-169.1-59.4166.1000112E14 R15 K19 V73E14-I17 WeakPolarHBondContact O-CG1 3.4Å; R15-I17 PolarHBondContact O-N 3.36Å; R15-I17 VanDerWaalsContact O-N 3.12Å; I17-K19 PolarHBondContact O-N 3.21Å; I17-V73 PolarHBondContact N-O 3.19Å
18N82.7Confident86.7Confident73 Ų7377.3 Ų77.339%0.3939%0.394SS..EExtended strand (participates in β ladder)trans-85.7110.2-168.9-70.2-45.4000111.7I20 K23 R72 V73N18-I20 PolarHBondContact O-N 3.36Å; N18-K23 PolarHBondContact ND2-NZ 2.78Å; N18-R72 CarbonylContact O-C 3.51Å; N18-R72 VanDerWaalsContact O-CA 3.27Å; N18-R72 WeakPolarHBondContact O-CA 3.3Å; N18-V73 HydrophobicContact CB-CB 4.29Å; N18-V73 PolarHBondContact N-O 3.33Å; N18-V73 PolarHBondContact O-N 2.9Å
19K80.9Confident86.9Confident146 Ų14673.7 Ų73.764%0.63537%0.365SS*.EExtended strand (participates in β ladder)trans-64.1133.4171.2-171170.6-178.7167.20110.7I17 E70I17-K19 PolarHBondContact O-N 3.21Å; K19-E70 IonicContact NZ-OE1 2.84Å
20I71.7Confident87.3Confident20 Ų2074.2 Ų74.210%0.10338%0.378CS..  trans-79.5133.8176.5-67.7161000110.5N18 K23 F43 S71 V73 V82N18-I20 PolarHBondContact O-N 3.36Å; I20-K23 HydrophobicContact CG2-CB 4.39Å; I20-F43 HydrophobicContact CD1-CB 3.61Å; I20-F43 HydrophobicContact CD1-CD1 4.4Å; I20-F43 HydrophobicContact CD1-CG 4.16Å; I20-F43 HydrophobicContact CG1-CB 4.17Å; I20-F43 HydrophobicContact CG2-CB 4.33Å; I20-F43 WeakPolarHBondContact CG2-O 3.46Å; I20-S71 PolarHBondContact N-O 3.15Å; I20-V73 HydrophobicContact CD1-CG2 3.37Å; I20-V73 HydrophobicContact CG1-CB 4.5Å; I20-V73 HydrophobicContact CG1-CG2 3.36Å; I20-V82 HydrophobicContact CD1-CB 4.38Å; I20-V82 HydrophobicContact CD1-CG2 3.46Å; I20-V82 VanDerWaalsContact CD1-CG2 3.46Å
21N64.8Low87.8Confident150 Ų15071.9 Ų71.980%0.80236%0.359SS*.SBendtrans-135.582.3154.1-175.613000107.1
22N69.2Low87.9Confident89 Ų8974.4 Ų74.448%0.47638%0.377SS..SBendtrans54.170.3-178-157.650.9000112.5H42 Y44N22-H42 VanDerWaalsContact CG-NE2 3.28Å; N22-H42 PolarHBondContact OD1-CE1 3.49Å; N22-H42 PolarHBondContact OD1-NE2 2.94Å; N22-Y44 WeakPolarHBondContact OD1-CE1 3.37Å
23K81Confident87.9Confident58 Ų5872.3 Ų72.325%0.25236%0.362SS..EExtended strand (participates in β ladder)trans-109.5131-167.1-174.2-179.5178.2-169.10111.8N18 I20 H42 F43N18-K23 PolarHBondContact ND2-NZ 2.78Å; I20-K23 HydrophobicContact CG2-CB 4.39Å; K23-H42 PolarHBondContact O-CD2 3.22Å; K23-F43 PolarHBondContact N-O 3.1Å; K23-F43 PolarHBondContact O-N 2.69Å
24Y89.7Confident87.8Confident123 Ų12373.7 Ų73.748%0.48236%0.361SS..EExtended strand (participates in β ladder)trans-86135.1163.9-64.5-91.9000109.8N40 I41 H42Y24-N40 WeakPolarHBondContact CD1-OD1 3.31Å; Y24-I41 WeakPolarHBondContact CA-O 3.37Å; Y24-H42 HydrophobicContact CD1-CB 3.91Å; Y24-H42 AromaticContact CD1-CG 3.97Å; Y24-H42 AromaticContact CD2-CD2 3.93Å; Y24-H42 HydrophobicContact CE1-CB 3.75Å; Y24-H42 AromaticContact CE1-CD2 3.87Å; Y24-H42 AromaticContact CE1-CG 3.59Å; Y24-H42 AromaticContact CE1-ND1 3.91Å; Y24-H42 AromaticContact CE2-CD2 3.78Å; Y24-H42 AromaticContact CE2-NE2 3.63Å; Y24-H42 AromaticContact CZ-CD2 3.75Å; Y24-H42 AromaticContact CZ-CE1 3.75Å; Y24-H42 AromaticContact CZ-CG 3.74Å; Y24-H42 AromaticContact CZ-ND1 3.72Å; Y24-H42 AromaticContact CZ-NE2 3.76Å
25A92.5Very high87.6Confident2 Ų270.2 Ų70.22%0.01737%0.365CS..EExtended strand (participates in β ladder)trans-121.7140.9165.700000109.8N40 I41 F43 L80A25-N40 CarbonylContact O-C 3.53Å; A25-N40 WeakPolarHBondContact O-CA 3.38Å; A25-N40 WeakPolarHBondContact O-CB 3.4Å; A25-I41 PolarHBondContact N-O 3.13Å; A25-I41 PolarHBondContact O-N 2.86Å; A25-F43 HydrophobicContact CB-CD2 4.36Å; A25-F43 HydrophobicContact CB-CE2 3.71Å; A25-L80 HydrophobicContact CB-CD1 3.63Å; A25-L80 HydrophobicContact CB-CD2 4.34Å
26H93.5Very high87.4Confident116 Ų11667 Ų6754%0.53736%0.358SS..  trans-106112.1175.5-60.981.2000106.1Q28 Q39H26-Q28 PolarHBondContact O-N 3.19Å; H26-Q39 PolarHBondContact CD2-O 3.28Å
27P93.6Very high87.5Confident19 Ų1971.5 Ų71.512%0.12338%0.379CS..  trans-49.5129.8175.8-23.129.6000110.3F29 V38 L80P27-F29 HydrophobicContact CB-CD2 4.16Å; P27-F29 HydrophobicContact CB-CE1 4.37Å; P27-F29 HydrophobicContact CB-CE2 4.04Å; P27-F29 HydrophobicContact CB-CG 4.45Å; P27-F29 HydrophobicContact CB-CZ 4.15Å; P27-F29 WeakPolarHBondContact CB-O 3.29Å; P27-F29 PolarHBondContact O-N 2.96Å; P27-V38 HydrophobicContact CG-CG1 3.98Å; P27-L80 HydrophobicContact CB-CD2 4.24Å; P27-L80 HydrophobicContact CG-CD2 3.7Å
28Q93.3Very high87.9Confident112 Ų11265.4 Ų65.452%0.52335%0.348SS..SBendtrans-761.2176.9-65.2176.253.500112.4H26 D75H26-Q28 PolarHBondContact O-N 3.19Å; Q28-D75 PolarHBondContact NE2-O 2.94Å; Q28-D75 PolarHBondContact NE2-OD1 3.5Å
29F94.8Very high88.5Confident24 Ų2466.2 Ų66.211%0.10535%0.35CS..SBendtrans-127.6150.5178.650.7-94000109.5P27 C31 E77 L80 M103 P105P27-F29 HydrophobicContact CB-CD2 4.16Å; P27-F29 HydrophobicContact CB-CE1 4.37Å; P27-F29 HydrophobicContact CB-CE2 4.04Å; P27-F29 HydrophobicContact CB-CG 4.45Å; P27-F29 HydrophobicContact CB-CZ 4.15Å; P27-F29 WeakPolarHBondContact CB-O 3.29Å; P27-F29 PolarHBondContact O-N 2.96Å; F29-C31 HydrophobicContact CD2-CB 3.89Å; F29-C31 HydrophobicContact CE2-CB 3.87Å; F29-C31 PolarHBondContact O-N 3.43Å; F29-E77 VanDerWaalsContact CD1-O 3.27Å; F29-E77 WeakPolarHBondContact CD1-O 3.14Å; F29-L80 HydrophobicContact CE1-CB 4.05Å; F29-L80 HydrophobicContact CZ-CB 3.85Å; F29-M103 HydrophobicContact CE2-CG 4.25Å; F29-M103 HydrophobicContact CZ-CG 4.38Å; F29-M103 WeakPolarHBondContact CZ-O 3.37Å; F29-P105 HydrophobicContact CB-CB 4.29Å; F29-P105 HydrophobicContact CB-CG 4.26Å; F29-P105 HydrophobicContact CD1-CG 4.37Å; F29-P105 VanDerWaalsContact CD2-CA 3.46Å; F29-P105 HydrophobicContact CD2-CB 4.07Å; F29-P105 HydrophobicContact CD2-CG 4.09Å; F29-P105 HydrophobicContact CE2-CG 4.49Å; F29-P105 HydrophobicContact CG-CB 4.25Å; F29-P105 HydrophobicContact CG-CG 3.98Å
30S93.4Very high89.2Confident91 Ų9160.5 Ų60.564%0.63633%0.326SS*.  trans-75.2122.9172.9176.30000109.7P105S30-P105 VanDerWaalsContact O-O 3.07Å
31C94.3Very high90.4Very high3 Ų359.7 Ų59.72%0.0232%0.322CS..  trans-139.7164.7173.4660000111.7F29 V38F29-C31 HydrophobicContact CD2-CB 3.89Å; F29-C31 HydrophobicContact CE2-CB 3.87Å; F29-C31 PolarHBondContact O-N 3.43Å; C31-V38 PolarHBondContact O-N 3.17Å
32S93.7Very high91.8Very high60 Ų6052.7 Ų52.742%0.4228%0.284SS..EExtended strand (participates in β ladder)trans-124.6146.4179.8-64.50000111S36 G107S32-S36 CarbonylContact C-O 3.5Å; S32-S36 VanDerWaalsContact CA-O 3.24Å; S32-S36 WeakPolarHBondContact CA-O 3.36Å; S32-G107 WeakPolarHBondContact O-CA 3.39Å
33Y94.4Very high92.9Very high6 Ų648.6 Ų48.62%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-129.6123.5175.5-175.6-89.1000108.9G35 S36 V50 I56 S58 I59 M103 V109 I129 D130Y33-G35 PolarHBondContact O-N 2.86Å; Y33-S36 PolarHBondContact N-O 3.23Å; Y33-S36 PolarHBondContact O-N 3.47Å; Y33-V50 HydrophobicContact CD1-CB 4.33Å; Y33-V50 HydrophobicContact CD1-CG1 4.29Å; Y33-V50 HydrophobicContact CD2-CG2 4.33Å; Y33-V50 HydrophobicContact CE2-CG2 4.31Å; Y33-V50 HydrophobicContact CG-CB 4.41Å; Y33-V50 HydrophobicContact CG-CG1 4.01Å; Y33-V50 HydrophobicContact CG-CG2 4.4Å; Y33-I56 HydrophobicContact CD1-CG1 4.47Å; Y33-S58 PolarHBondContact OH-O 2.73Å; Y33-I59 HydrophobicContact CE2-CD1 4.07Å; Y33-I59 HydrophobicContact CE2-CG1 3.85Å; Y33-M103 HydrophobicContact CD2-CE 4.06Å; Y33-V109 HydrophobicContact CD2-CG2 4.24Å; Y33-V109 HydrophobicContact CE2-CG2 4.2Å; Y33-I129 WeakPolarHBondContact OH-CB 3.43Å; Y33-D130 WeakPolarHBondContact CE1-O 3.21Å; Y33-D130 PolarHBondContact OH-N 3.47Å; Y33-D130 PolarHBondContact OH-O 3.28Å
34Y90.7Very high93.4Very high71 Ų7148.4 Ų48.428%0.27826%0.26SS..THydrogen-bonded Turntrans49.740.7-174-82.6-111.8000113S36 I129 H142Y34-S36 PolarHBondContact O-N 2.85Å; Y34-I129 HydrophobicContact CE2-CD1 4.04Å; Y34-I129 HydrophobicContact CE2-CG1 4.36Å; Y34-I129 PolarHBondContact OH-O 3.42Å; Y34-H142 HydrophobicContact CE1-CB 4.3Å; Y34-H142 PolarHBondContact OH-O 3.24Å
35G88.4Confident93.1Very high74 Ų7448.2 Ų48.276%0.76326%0.264SS*.THydrogen-bonded Turntrans77.1-1.1179.800000115.3Y33Y33-G35 PolarHBondContact O-N 2.86Å
36S91.9Very high92.7Very high35 Ų3549.8 Ų49.825%0.24527%0.272CS..EExtended strand (participates in β ladder)trans-106.7139.6178.5-61.50000111.5S32 Y33 Y34 V38S32-S36 CarbonylContact C-O 3.5Å; S32-S36 VanDerWaalsContact CA-O 3.24Å; S32-S36 WeakPolarHBondContact CA-O 3.36Å; Y33-S36 PolarHBondContact N-O 3.23Å; Y33-S36 PolarHBondContact O-N 3.47Å; Y34-S36 PolarHBondContact O-N 2.85Å; S36-V38 PolarHBondContact O-N 3.22Å
37H94.8Very high92.5Very high98 Ų9847.8 Ų47.845%0.45426%0.26SS..EExtended strand (participates in β ladder)trans-62.7132.3177174.7-85.7000111.7G52H37-G52 WeakPolarHBondContact O-CA 2.89Å
38V96.3Very high92.4Very high4 Ų447 Ų472%0.02426%0.255CS..  trans-86.8117.7177.5-176.80000109.6P27 C31 S36 I41 V50 I56P27-V38 HydrophobicContact CG-CG1 3.98Å; C31-V38 PolarHBondContact O-N 3.17Å; S36-V38 PolarHBondContact O-N 3.22Å; V38-I41 HydrophobicContact CG1-CG1 4.03Å; V38-V50 HydrophobicContact CB-CG1 4.39Å; V38-V50 HydrophobicContact CG1-CG1 3.81Å; V38-V50 HydrophobicContact CG2-CG1 3.79Å; V38-I56 HydrophobicContact CG2-CD1 4.26Å
39Q96.6Very high92.6Very high90 Ų9043.8 Ų43.842%0.42124%0.239SC..  trans-89.6-43.2172.4-69.3-178.46.100111.7H26 Y51 G52H26-Q39 PolarHBondContact CD2-O 3.28Å; Q39-Y51 PolarHBondContact N-O 3.44Å; Q39-G52 PolarHBondContact OE1-O 3.32Å
40N95.4Very high92.6Very high25 Ų2542.6 Ų42.613%0.13423%0.234CC..EExtended strand (participates in β ladder)trans-154.8160.1177.863.686.4000111.6Y24 A25 Y51Y24-N40 WeakPolarHBondContact CD1-OD1 3.31Å; A25-N40 CarbonylContact O-C 3.53Å; A25-N40 WeakPolarHBondContact O-CA 3.38Å; A25-N40 WeakPolarHBondContact O-CB 3.4Å; N40-Y51 PolarHBondContact N-O 3.48Å; N40-Y51 PolarHBondContact O-N 3.29Å; N40-Y51 WeakPolarHBondContact OD1-CD2 3.49Å
41I95.6Very high92.8Very high4 Ų440.6 Ų40.62%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-118.3128.6171.3-57.1-174.2000107.8Y24 A25 V38 F43 E48 F49 L80 M103Y24-I41 WeakPolarHBondContact CA-O 3.37Å; A25-I41 PolarHBondContact N-O 3.13Å; A25-I41 PolarHBondContact O-N 2.86Å; V38-I41 HydrophobicContact CG1-CG1 4.03Å; I41-F43 HydrophobicContact CB-CE2 3.95Å; I41-F43 HydrophobicContact CB-CZ 4.11Å; I41-F43 HydrophobicContact CG2-CD1 4.38Å; I41-F43 HydrophobicContact CG2-CD2 4.2Å; I41-F43 HydrophobicContact CG2-CE1 3.98Å; I41-F43 HydrophobicContact CG2-CE2 3.8Å; I41-F43 HydrophobicContact CG2-CG 4.47Å; I41-F43 HydrophobicContact CG2-CZ 3.68Å; I41-E48 HydrophobicContact CG2-CB 3.85Å; I41-E48 HydrophobicContact CG2-CG 4.24Å; I41-F49 WeakPolarHBondContact CA-O 3.48Å; I41-L80 HydrophobicContact CB-CD2 4.43Å; I41-L80 HydrophobicContact CD1-CD2 3.63Å; I41-L80 HydrophobicContact CG1-CD2 4.09Å; I41-M103 HydrophobicContact CD1-CB 4.49Å; I41-M103 HydrophobicContact CD1-CE 4.1Å
42H94.7Very high92.8Very high2 Ų240.9 Ų40.91%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-98.9113.3173.4-168.3-159.3000109.6N22 K23 Y24 Y44 E48 F49 Y51N22-H42 VanDerWaalsContact CG-NE2 3.28Å; N22-H42 PolarHBondContact OD1-CE1 3.49Å; N22-H42 PolarHBondContact OD1-NE2 2.94Å; K23-H42 PolarHBondContact O-CD2 3.22Å; Y24-H42 HydrophobicContact CD1-CB 3.91Å; Y24-H42 AromaticContact CD1-CG 3.97Å; Y24-H42 AromaticContact CD2-CD2 3.93Å; Y24-H42 HydrophobicContact CE1-CB 3.75Å; Y24-H42 AromaticContact CE1-CD2 3.87Å; Y24-H42 AromaticContact CE1-CG 3.59Å; Y24-H42 AromaticContact CE1-ND1 3.91Å; Y24-H42 AromaticContact CE2-CD2 3.78Å; Y24-H42 AromaticContact CE2-NE2 3.63Å; Y24-H42 AromaticContact CZ-CD2 3.75Å; Y24-H42 AromaticContact CZ-CE1 3.75Å; Y24-H42 AromaticContact CZ-CG 3.74Å; Y24-H42 AromaticContact CZ-ND1 3.72Å; Y24-H42 AromaticContact CZ-NE2 3.76Å; H42-Y44 HydrophobicContact CB-CE2 4.21Å; H42-Y44 AromaticContact CE1-CE1 3.76Å; H42-Y44 AromaticContact CE1-CE2 3.81Å; H42-Y44 AromaticContact CE1-CZ 3.33Å; H42-Y44 PolarHBondContact CE1-OH 2.86Å; H42-Y44 VanDerWaalsContact CE1-OH 3.24Å; H42-Y44 AromaticContact CG-CE2 3.78Å; H42-Y44 AromaticContact ND1-CE2 3.27Å; H42-Y44 VanDerWaalsContact ND1-CE2 3.27Å; H42-Y44 WeakPolarHBondContact ND1-CE2 3.24Å; H42-Y44 AromaticContact ND1-CZ 3.15Å; H42-Y44 PolarHBondContact ND1-OH 2.82Å; H42-E48 VanDerWaalsContact O-CA 3.27Å; H42-E48 WeakPolarHBondContact O-CA 3.42Å; H42-F49 PolarHBondContact N-O 3.46Å; H42-F49 PolarHBondContact O-N 3.47Å; H42-Y51 HydrophobicContact CB-CD2 4.28Å; H42-Y51 HydrophobicContact CB-CE2 3.73Å
43F93.2Very high92.7Very high4 Ų443.2 Ų43.22%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-90.6115.7-179.7-63.8-87.2000111I20 K23 A25 I41 E48 V73 L80 V82I20-F43 HydrophobicContact CD1-CB 3.61Å; I20-F43 HydrophobicContact CD1-CD1 4.4Å; I20-F43 HydrophobicContact CD1-CG 4.16Å; I20-F43 HydrophobicContact CG1-CB 4.17Å; I20-F43 HydrophobicContact CG2-CB 4.33Å; I20-F43 WeakPolarHBondContact CG2-O 3.46Å; K23-F43 PolarHBondContact N-O 3.1Å; K23-F43 PolarHBondContact O-N 2.69Å; A25-F43 HydrophobicContact CB-CD2 4.36Å; A25-F43 HydrophobicContact CB-CE2 3.71Å; I41-F43 HydrophobicContact CB-CE2 3.95Å; I41-F43 HydrophobicContact CB-CZ 4.11Å; I41-F43 HydrophobicContact CG2-CD1 4.38Å; I41-F43 HydrophobicContact CG2-CD2 4.2Å; I41-F43 HydrophobicContact CG2-CE1 3.98Å; I41-F43 HydrophobicContact CG2-CE2 3.8Å; I41-F43 HydrophobicContact CG2-CG 4.47Å; I41-F43 HydrophobicContact CG2-CZ 3.68Å; F43-E48 HydrophobicContact CD1-CB 4.46Å; F43-E48 HydrophobicContact CD1-CG 3.37Å; F43-E48 HydrophobicContact CE1-CG 3.73Å; F43-E48 HydrophobicContact CG-CG 4.24Å; F43-V73 HydrophobicContact CD1-CG2 4.38Å; F43-V73 HydrophobicContact CD2-CG2 4.08Å; F43-V73 HydrophobicContact CE2-CG1 4.46Å; F43-V73 HydrophobicContact CE2-CG2 4.34Å; F43-V73 HydrophobicContact CG-CG2 4.1Å; F43-L80 HydrophobicContact CE2-CD1 4.32Å; F43-L80 HydrophobicContact CZ-CD1 4.26Å; F43-L80 HydrophobicContact CZ-CG 4.24Å; F43-V82 HydrophobicContact CD1-CB 3.79Å; F43-V82 HydrophobicContact CD1-CG1 3.68Å; F43-V82 HydrophobicContact CD1-CG2 4.38Å; F43-V82 HydrophobicContact CE1-CB 3.76Å; F43-V82 HydrophobicContact CE1-CG1 3.61Å
44Y90.3Very high92.5Very high54 Ų5449.8 Ų49.821%0.21226%0.258CS..  trans-94.8176.1166.4-61.5-95.3000110.3N22 H42 D46 Y47 F49 R84N22-Y44 WeakPolarHBondContact OD1-CE1 3.37Å; H42-Y44 HydrophobicContact CB-CE2 4.21Å; H42-Y44 AromaticContact CE1-CE1 3.76Å; H42-Y44 AromaticContact CE1-CE2 3.81Å; H42-Y44 AromaticContact CE1-CZ 3.33Å; H42-Y44 PolarHBondContact CE1-OH 2.86Å; H42-Y44 VanDerWaalsContact CE1-OH 3.24Å; H42-Y44 AromaticContact CG-CE2 3.78Å; H42-Y44 AromaticContact ND1-CE2 3.27Å; H42-Y44 VanDerWaalsContact ND1-CE2 3.27Å; H42-Y44 WeakPolarHBondContact ND1-CE2 3.24Å; H42-Y44 AromaticContact ND1-CZ 3.15Å; H42-Y44 PolarHBondContact ND1-OH 2.82Å; Y44-D46 VanDerWaalsContact C-N 3.33Å; Y44-D46 PolarHBondContact O-N 3.22Å; Y44-Y47 CarbonylContact C-O 3.5Å; Y44-Y47 WeakPolarHBondContact CA-O 3.15Å; Y44-Y47 VanDerWaalsContact CB-O 3.31Å; Y44-Y47 WeakPolarHBondContact CB-O 3.46Å; Y44-Y47 HydrophobicContact CD1-CE2 4.1Å; Y44-Y47 AromaticContact CD2-CD2 3.64Å; Y44-Y47 HydrophobicContact CD2-CD2 3.64Å; Y44-Y47 AromaticContact CD2-CE2 3.26Å; Y44-Y47 HydrophobicContact CD2-CE2 3.26Å; Y44-Y47 AromaticContact CD2-CZ 3.99Å; Y44-Y47 HydrophobicContact CE1-CE2 4.43Å; Y44-Y47 HydrophobicContact CE2-CD2 4.31Å; Y44-Y47 AromaticContact CE2-CE2 3.69Å; Y44-Y47 HydrophobicContact CE2-CE2 3.69Å; Y44-Y47 HydrophobicContact CG-CD2 4.04Å; Y44-Y47 HydrophobicContact CG-CE1 4.43Å; Y44-Y47 AromaticContact CG-CE2 3.49Å; Y44-Y47 HydrophobicContact CG-CE2 3.49Å; Y44-Y47 VanDerWaalsContact CG-CE2 3.49Å; Y44-Y47 AromaticContact CG-CZ 3.71Å; Y44-Y47 PolarHBondContact N-O 2.9Å; Y44-F49 HydrophobicContact CD2-CD2 4.28Å; Y44-F49 HydrophobicContact CE2-CB 4.44Å; Y44-F49 AromaticContact CE2-CD2 3.35Å; Y44-F49 HydrophobicContact CE2-CD2 3.35Å; Y44-F49 AromaticContact CE2-CE2 3.81Å; Y44-F49 HydrophobicContact CE2-CE2 3.81Å; Y44-F49 HydrophobicContact CE2-CG 4.1Å; Y44-F49 AromaticContact CZ-CD2 3.88Å; Y44-R84 PolarHBondContact O-NH2 3.26Å
45E83.8Confident92.6Very high119 Ų11950.2 Ų50.256%0.55626%0.262SS*.SBendtrans-57.7-43.7-179.1-68.3-172.7174.200112.3S71 R84E45-S71 PolarHBondContact O-OG 2.91Å; E45-R84 VanDerWaalsContact O-CD 3.27Å; E45-R84 WeakPolarHBondContact O-CD 3.27Å; E45-R84 PolarHBondContact O-NE 3.34Å
46D83.4Confident92.9Very high35 Ų3546.8 Ų46.819%0.18723%0.227CC..SBendtrans-125.2-3.9-172.952.8-3.6000115.5Y44 Y62 Y66 F86Y44-D46 VanDerWaalsContact C-N 3.33Å; Y44-D46 PolarHBondContact O-N 3.22Å; D46-Y62 HydrophobicContact CB-CD2 4.25Å; D46-Y62 HydrophobicContact CB-CG 4.21Å; D46-Y62 WeakPolarHBondContact O-CB 3.33Å; D46-Y66 HydrophobicContact CB-CE1 4.1Å; D46-Y66 PolarHBondContact OD2-OH 3.42Å; D46-F86 HydrophobicContact CB-CE1 4.45Å
47Y89Confident93.1Very high73 Ų7345.1 Ų45.129%0.28622%0.215SC..EExtended strand (participates in β ladder)trans-147172.3173.557.6-88.6000111.8Y44 F49 N60 R84Y44-Y47 CarbonylContact C-O 3.5Å; Y44-Y47 WeakPolarHBondContact CA-O 3.15Å; Y44-Y47 VanDerWaalsContact CB-O 3.31Å; Y44-Y47 WeakPolarHBondContact CB-O 3.46Å; Y44-Y47 HydrophobicContact CD1-CE2 4.1Å; Y44-Y47 AromaticContact CD2-CD2 3.64Å; Y44-Y47 HydrophobicContact CD2-CD2 3.64Å; Y44-Y47 AromaticContact CD2-CE2 3.26Å; Y44-Y47 HydrophobicContact CD2-CE2 3.26Å; Y44-Y47 AromaticContact CD2-CZ 3.99Å; Y44-Y47 HydrophobicContact CE1-CE2 4.43Å; Y44-Y47 HydrophobicContact CE2-CD2 4.31Å; Y44-Y47 AromaticContact CE2-CE2 3.69Å; Y44-Y47 HydrophobicContact CE2-CE2 3.69Å; Y44-Y47 HydrophobicContact CG-CD2 4.04Å; Y44-Y47 HydrophobicContact CG-CE1 4.43Å; Y44-Y47 AromaticContact CG-CE2 3.49Å; Y44-Y47 HydrophobicContact CG-CE2 3.49Å; Y44-Y47 VanDerWaalsContact CG-CE2 3.49Å; Y44-Y47 AromaticContact CG-CZ 3.71Å; Y44-Y47 PolarHBondContact N-O 2.9Å; Y47-F49 HydrophobicContact CD2-CD1 4.38Å; Y47-F49 HydrophobicContact CD2-CE1 4.03Å; Y47-F49 HydrophobicContact CD2-CE2 4.28Å; Y47-F49 AromaticContact CD2-CZ 3.97Å; Y47-F49 HydrophobicContact CD2-CZ 3.97Å; Y47-F49 HydrophobicContact CE2-CD2 4.16Å; Y47-F49 HydrophobicContact CE2-CE1 4.05Å; Y47-F49 AromaticContact CE2-CE2 3.57Å; Y47-F49 HydrophobicContact CE2-CE2 3.57Å; Y47-F49 AromaticContact CE2-CZ 3.5Å; Y47-F49 HydrophobicContact CE2-CZ 3.5Å; Y47-F49 VanDerWaalsContact CE2-CZ 3.5Å; Y47-N60 VanDerWaalsContact CB-OD1 3.24Å; Y47-N60 WeakPolarHBondContact CB-OD1 3.23Å; Y47-R84 PolarHBondContact O-NH2 3.32Å
48E93.2Very high93.2Very high3 Ų340.8 Ų40.81%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-128.1142.7170.2-52.493.717500111.4I41 H42 F43 S58 I59 V82 R84 N101I41-E48 HydrophobicContact CG2-CB 3.85Å; I41-E48 HydrophobicContact CG2-CG 4.24Å; H42-E48 VanDerWaalsContact O-CA 3.27Å; H42-E48 WeakPolarHBondContact O-CA 3.42Å; F43-E48 HydrophobicContact CD1-CB 4.46Å; F43-E48 HydrophobicContact CD1-CG 3.37Å; F43-E48 HydrophobicContact CE1-CG 3.73Å; F43-E48 HydrophobicContact CG-CG 4.24Å; E48-S58 CarbonylContact O-C 3.58Å; E48-S58 WeakPolarHBondContact O-CA 3.44Å; E48-S58 VanDerWaalsContact O-CB 3.24Å; E48-S58 WeakPolarHBondContact O-CB 3.27Å; E48-I59 HydrophobicContact CB-CB 4.32Å; E48-I59 PolarHBondContact N-O 3.3Å; E48-I59 PolarHBondContact O-N 3.48Å; E48-I59 WeakPolarHBondContact OE2-CB 3.34Å; E48-I59 WeakPolarHBondContact OE2-CG2 3.31Å; E48-V82 WeakPolarHBondContact OE1-CG1 3.4Å; E48-R84 IonicContact OE1-CZ 2.75Å; E48-R84 IonicContact OE1-NH1 2.97Å; E48-R84 PolarHBondContact OE1-NH1 2.8Å; E48-R84 IonicContact OE1-NH2 3.61Å; E48-R84 PolarHBondContact OE1-NH2 3.29Å; E48-N101 PolarHBondContact OE1-ND2 2.97Å; E48-N101 PolarHBondContact OE2-ND2 3.36Å; E48-N101 VanDerWaalsContact OE2-ND2 3.14Å
49F95.7Very high93.2Very high44 Ų4441 Ų4119%0.19320%0.196CC..EExtended strand (participates in β ladder)trans-101.5135.2164.5-69.1-38.7000110.6I41 H42 Y44 Y47 Y51 Q55I41-F49 WeakPolarHBondContact CA-O 3.48Å; H42-F49 PolarHBondContact N-O 3.46Å; H42-F49 PolarHBondContact O-N 3.47Å; Y44-F49 HydrophobicContact CD2-CD2 4.28Å; Y44-F49 HydrophobicContact CE2-CB 4.44Å; Y44-F49 AromaticContact CE2-CD2 3.35Å; Y44-F49 HydrophobicContact CE2-CD2 3.35Å; Y44-F49 AromaticContact CE2-CE2 3.81Å; Y44-F49 HydrophobicContact CE2-CE2 3.81Å; Y44-F49 HydrophobicContact CE2-CG 4.1Å; Y44-F49 AromaticContact CZ-CD2 3.88Å; Y47-F49 HydrophobicContact CD2-CD1 4.38Å; Y47-F49 HydrophobicContact CD2-CE1 4.03Å; Y47-F49 HydrophobicContact CD2-CE2 4.28Å; Y47-F49 AromaticContact CD2-CZ 3.97Å; Y47-F49 HydrophobicContact CD2-CZ 3.97Å; Y47-F49 HydrophobicContact CE2-CD2 4.16Å; Y47-F49 HydrophobicContact CE2-CE1 4.05Å; Y47-F49 AromaticContact CE2-CE2 3.57Å; Y47-F49 HydrophobicContact CE2-CE2 3.57Å; Y47-F49 AromaticContact CE2-CZ 3.5Å; Y47-F49 HydrophobicContact CE2-CZ 3.5Å; Y47-F49 VanDerWaalsContact CE2-CZ 3.5Å; F49-Y51 HydrophobicContact CB-CD2 4.21Å; F49-Y51 HydrophobicContact CB-CE2 3.38Å; F49-Y51 HydrophobicContact CG-CE2 4.48Å; F49-Q55 HydrophobicContact CB-CG 4.45Å; F49-Q55 VanDerWaalsContact CE1-NE2 3.34Å
50V96.5Very high93.1Very high0 Ų037.5 Ų37.50%018%0.181CC..EExtended strand (participates in β ladder)trans-101.3128.2177.2-170.40000108.1Y33 V38 I56 G57 I59Y33-V50 HydrophobicContact CD1-CB 4.33Å; Y33-V50 HydrophobicContact CD1-CG1 4.29Å; Y33-V50 HydrophobicContact CD2-CG2 4.33Å; Y33-V50 HydrophobicContact CE2-CG2 4.31Å; Y33-V50 HydrophobicContact CG-CB 4.41Å; Y33-V50 HydrophobicContact CG-CG1 4.01Å; Y33-V50 HydrophobicContact CG-CG2 4.4Å; V38-V50 HydrophobicContact CB-CG1 4.39Å; V38-V50 HydrophobicContact CG1-CG1 3.81Å; V38-V50 HydrophobicContact CG2-CG1 3.79Å; V50-I56 HydrophobicContact CB-CG1 4.17Å; V50-I56 HydrophobicContact CG1-CD1 3.95Å; V50-I56 HydrophobicContact CG1-CG1 3.87Å; V50-I56 WeakPolarHBondContact O-CG1 3.09Å; V50-I56 PolarHBondContact O-N 3.24Å; V50-G57 PolarHBondContact N-O 2.71Å; V50-G57 PolarHBondContact O-N 3.3Å; V50-I59 HydrophobicContact CG2-CD1 3.9Å; V50-I59 HydrophobicContact CG2-CG1 3.93Å
51Y96.3Very high93.2Very high49 Ų4936.3 Ų36.319%0.19217%0.174CC..EExtended strand (participates in β ladder)trans-119.3131.2-177.2-67.5-90000111.5Q39 N40 H42 F49 Y54 Q55Q39-Y51 PolarHBondContact N-O 3.44Å; N40-Y51 PolarHBondContact N-O 3.48Å; N40-Y51 PolarHBondContact O-N 3.29Å; N40-Y51 WeakPolarHBondContact OD1-CD2 3.49Å; H42-Y51 HydrophobicContact CB-CD2 4.28Å; H42-Y51 HydrophobicContact CB-CE2 3.73Å; F49-Y51 HydrophobicContact CB-CD2 4.21Å; F49-Y51 HydrophobicContact CB-CE2 3.38Å; F49-Y51 HydrophobicContact CG-CE2 4.48Å; Y51-Y54 WeakPolarHBondContact CA-O 3.29Å; Y51-Q55 HydrophobicContact CD1-CB 3.91Å; Y51-Q55 HydrophobicContact CE1-CB 3.59Å; Y51-Q55 HydrophobicContact CE1-CG 4.12Å
52G94Very high93.2Very high8 Ų838.5 Ų38.58%0.08218%0.183CC..SBendtrans-94.8-129.6152.600000108.2H37 Q39 Y54H37-G52 WeakPolarHBondContact O-CA 2.89Å; Q39-G52 PolarHBondContact OE1-O 3.32Å; G52-Y54 PolarHBondContact N-O 2.95Å; G52-Y54 PolarHBondContact O-N 2.83Å
53S91.6Very high93.2Very high109 Ų10938.4 Ų38.476%0.76218%0.182SC*.SBendtrans-65.7-22.2168.5-52.90000113.3
54Y91.4Very high93.3Very high145 Ų14542 Ų4257%0.56920%0.198SC*.SBendtrans-138.8175.9172.752.8-91.5000108.4Y51 G52 I56Y51-Y54 WeakPolarHBondContact CA-O 3.29Å; G52-Y54 PolarHBondContact N-O 2.95Å; G52-Y54 PolarHBondContact O-N 2.83Å; Y54-I56 HydrophobicContact CD2-CG2 4.13Å; Y54-I56 HydrophobicContact CE2-CG2 3.87Å; Y54-I56 PolarHBondContact O-N 3.18Å; Y54-I56 VanDerWaalsContact O-N 3.15Å
55Q93.3Very high93.4Very high79 Ų7945.9 Ų45.937%0.36922%0.223SC..EExtended strand (participates in β ladder)trans-64.1115.7175.1-173.9-179.9-24.600110.3F49 Y51F49-Q55 HydrophobicContact CB-CG 4.45Å; F49-Q55 VanDerWaalsContact CE1-NE2 3.34Å; Y51-Q55 HydrophobicContact CD1-CB 3.91Å; Y51-Q55 HydrophobicContact CE1-CB 3.59Å; Y51-Q55 HydrophobicContact CE1-CG 4.12Å
56I94.3Very high93.9Very high2 Ų242.9 Ų42.91%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-103.70.4-178.259.5172.3000112.8Y33 V38 V50 Y54 P132Y33-I56 HydrophobicContact CD1-CG1 4.47Å; V38-I56 HydrophobicContact CG2-CD1 4.26Å; V50-I56 HydrophobicContact CB-CG1 4.17Å; V50-I56 HydrophobicContact CG1-CD1 3.95Å; V50-I56 HydrophobicContact CG1-CG1 3.87Å; V50-I56 WeakPolarHBondContact O-CG1 3.09Å; V50-I56 PolarHBondContact O-N 3.24Å; Y54-I56 HydrophobicContact CD2-CG2 4.13Å; Y54-I56 HydrophobicContact CE2-CG2 3.87Å; Y54-I56 PolarHBondContact O-N 3.18Å; Y54-I56 VanDerWaalsContact O-N 3.15Å; I56-P132 WeakPolarHBondContact O-CD 3.26Å
57G95.7Very high94.4Very high0 Ų048.5 Ų48.50%023%0.225CC..EExtended strand (participates in β ladder)trans168.1-176.617700000114.8V50 D130 Y141V50-G57 PolarHBondContact N-O 2.71Å; V50-G57 PolarHBondContact O-N 3.3Å; G57-D130 CarbonylContact C-O 3.57Å; G57-D130 WeakPolarHBondContact CA-O 3.47Å; G57-Y141 VanDerWaalsContact CA-OH 3.31Å; G57-Y141 WeakPolarHBondContact CA-OH 3.25Å
58S96.2Very high94.6Very high7 Ų752.2 Ų52.25%0.04924%0.243CC..EExtended strand (participates in β ladder)trans-140.9147.5167.281.90000112.2Y33 E48 N60 D130 Y141Y33-S58 PolarHBondContact OH-O 2.73Å; E48-S58 CarbonylContact O-C 3.58Å; E48-S58 WeakPolarHBondContact O-CA 3.44Å; E48-S58 VanDerWaalsContact O-CB 3.24Å; E48-S58 WeakPolarHBondContact O-CB 3.27Å; S58-N60 PolarHBondContact OG-ND2 2.95Å; S58-D130 VanDerWaalsContact CB-OD1 3.31Å; S58-D130 WeakPolarHBondContact CB-OD1 3.31Å; S58-D130 PolarHBondContact N-O 3.41Å; S58-D130 PolarHBondContact N-OD1 3.3Å; S58-D130 PolarHBondContact O-N 2.88Å; S58-D130 PolarHBondContact OG-OD1 3.05Å; S58-D130 PolarHBondContact OG-OD2 2.93Å; S58-Y141 PolarHBondContact N-OH 2.82Å
59I96.8Very high94.6Very high8 Ų853.5 Ų53.54%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-111.4130.3171.8-60.1173.3000105.1Y33 E48 V50 M103 V109 F111 I129Y33-I59 HydrophobicContact CE2-CD1 4.07Å; Y33-I59 HydrophobicContact CE2-CG1 3.85Å; E48-I59 HydrophobicContact CB-CB 4.32Å; E48-I59 PolarHBondContact N-O 3.3Å; E48-I59 PolarHBondContact O-N 3.48Å; E48-I59 WeakPolarHBondContact OE2-CB 3.34Å; E48-I59 WeakPolarHBondContact OE2-CG2 3.31Å; V50-I59 HydrophobicContact CG2-CD1 3.9Å; V50-I59 HydrophobicContact CG2-CG1 3.93Å; I59-M103 HydrophobicContact CD1-CE 3.88Å; I59-V109 HydrophobicContact CD1-CG1 4.11Å; I59-V109 HydrophobicContact CD1-CG2 4.17Å; I59-V109 HydrophobicContact CG2-CG1 4.39Å; I59-F111 HydrophobicContact CG2-CE1 3.4Å; I59-F111 VanDerWaalsContact CG2-CE1 3.4Å; I59-F111 HydrophobicContact CG2-CZ 3.69Å; I59-I129 HydrophobicContact CG1-CG2 4.34Å; I59-I129 HydrophobicContact CG2-CG2 4.42Å
60N95.5Very high94.5Very high17 Ų1754.4 Ų54.49%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-132.4120.4-177.7-57.9-95000107.6Y47 S58 Y62 S127 K128 D130Y47-N60 VanDerWaalsContact CB-OD1 3.24Å; Y47-N60 WeakPolarHBondContact CB-OD1 3.23Å; S58-N60 PolarHBondContact OG-ND2 2.95Å; N60-Y62 HydrophobicContact CB-CD1 4.31Å; N60-Y62 HydrophobicContact CB-CE1 4.36Å; N60-S127 CarbonylContact O-C 3.56Å; N60-S127 VanDerWaalsContact O-CA 3.23Å; N60-S127 WeakPolarHBondContact O-CA 3.27Å; N60-K128 HydrophobicContact CB-CG 3.73Å; N60-K128 PolarHBondContact N-O 3.23Å; N60-K128 WeakPolarHBondContact ND2-CE 3.42Å; N60-K128 PolarHBondContact O-N 3.45Å; N60-K128 VanDerWaalsContact O-O 3.1Å; N60-D130 PolarHBondContact ND2-OD2 2.57Å
61N96.3Very high94.3Very high0 Ų054.9 Ų54.90%026%0.26CS..EExtended strand (participates in β ladder)trans-146.288.8176.3-166.920.3000109.3M99 N101 F111 Y113 Q126 S127N61-M99 WeakPolarHBondContact OD1-CE 3.47Å; N61-N101 WeakPolarHBondContact CB-ND2 3.32Å; N61-N101 WeakPolarHBondContact CB-OD1 3.38Å; N61-N101 VanDerWaalsContact CG-OD1 3.27Å; N61-N101 PolarHBondContact ND2-OD1 3.22Å; N61-F111 HydrophobicContact CB-CD1 4.31Å; N61-F111 HydrophobicContact CB-CE1 4.3Å; N61-F111 HydrophobicContact CB-CG 4.49Å; N61-F111 HydrophobicContact CB-CZ 4.44Å; N61-Y113 WeakPolarHBondContact OD1-CE1 3.35Å; N61-Q126 WeakPolarHBondContact CA-O 3.38Å; N61-S127 WeakPolarHBondContact OD1-CB 3.33Å; N61-S127 PolarHBondContact OD1-OG 2.85Å
62Y95.2Very high94.2Very high50 Ų5056.2 Ų56.220%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-150.2169.2-168.376.7-75.1000113.3D46 N60 K64 Q126D46-Y62 HydrophobicContact CB-CD2 4.25Å; D46-Y62 HydrophobicContact CB-CG 4.21Å; D46-Y62 WeakPolarHBondContact O-CB 3.33Å; N60-Y62 HydrophobicContact CB-CD1 4.31Å; N60-Y62 HydrophobicContact CB-CE1 4.36Å; Y62-K64 HydrophobicContact CE2-CG 3.76Å; Y62-Q126 HydrophobicContact CD1-CB 3.9Å; Y62-Q126 HydrophobicContact CE1-CB 3.52Å; Y62-Q126 HydrophobicContact CE1-CG 4.2Å; Y62-Q126 PolarHBondContact N-O 3.36Å; Y62-Q126 PolarHBondContact O-N 2.99Å; Y62-Q126 VanDerWaalsContact O-O 3.06Å
63I95.5Very high94.1Very high0 Ų055.9 Ų55.90%026%0.261CS..EExtended strand (participates in β ladder)trans-111.2127.6174.5-57.5-171.2000108.7Y66 F86 I88 A97 M99 I120 K124 L125I63-Y66 WeakPolarHBondContact O-CD1 3.1Å; I63-F86 HydrophobicContact CB-CG 4.49Å; I63-F86 HydrophobicContact CG1-CD2 4.23Å; I63-I88 HydrophobicContact CB-CG2 4.37Å; I63-I88 HydrophobicContact CD1-CD1 4.11Å; I63-I88 HydrophobicContact CD1-CG2 4.5Å; I63-I88 HydrophobicContact CG2-CD1 4.37Å; I63-I88 HydrophobicContact CG2-CG2 3.94Å; I63-A97 HydrophobicContact CD1-CB 3.21Å; I63-M99 HydrophobicContact CD1-SD 4.23Å; I63-M99 HydrophobicContact CG1-SD 3.71Å; I63-I120 HydrophobicContact CD1-CD1 3.91Å; I63-I120 HydrophobicContact CG2-CD1 3.62Å; I63-K124 CarbonylContact C-O 3.55Å; I63-K124 WeakPolarHBondContact CA-O 3.46Å; I63-K124 HydrophobicContact CG2-CB 4.08Å; I63-L125 HydrophobicContact CD1-CD2 4.2Å; I63-L125 HydrophobicContact CG1-CD2 4.22Å
64K94.7Very high94.2Very high81 Ų8150.8 Ų50.835%0.35223%0.225SC..THydrogen-bonded Turntrans-67.4151.4173-68.9175.7171.2154.60111.4Y62 Y66 K124 Q126Y62-K64 HydrophobicContact CE2-CG 3.76Å; K64-Y66 VanDerWaalsContact C-N 3.26Å; K64-Y66 PolarHBondContact O-N 3.3Å; K64-K124 HydrophobicContact CB-CB 4.49Å; K64-K124 PolarHBondContact N-O 3.49Å; K64-Q126 HydrophobicContact CD-CG 3.99Å; K64-Q126 HydrophobicContact CG-CG 3.96Å
65N92.6Very high94.3Very high135 Ų13546.1 Ų46.172%0.72221%0.21SC*.THydrogen-bonded Turntrans59.633.2176-54.3-23.1000113.7
66Y94.5Very high94.2Very high56 Ų5645 Ų4522%0.2221%0.205CC..  trans-69152.2168.466.1-80.8000110.9D46 I63 K64 F86D46-Y66 HydrophobicContact CB-CE1 4.1Å; D46-Y66 PolarHBondContact OD2-OH 3.42Å; I63-Y66 WeakPolarHBondContact O-CD1 3.1Å; K64-Y66 VanDerWaalsContact C-N 3.26Å; K64-Y66 PolarHBondContact O-N 3.3Å; Y66-F86 HydrophobicContact CD1-CD1 4.22Å; Y66-F86 HydrophobicContact CD1-CE1 4.47Å; Y66-F86 HydrophobicContact CD2-CD1 4.08Å; Y66-F86 AromaticContact CG-CD1 3.87Å; Y66-F86 HydrophobicContact CG-CD1 3.87Å
67R94.7Very high94.1Very high152 Ų15252 Ų5257%0.57424%0.238SC*.SBendtrans-87.3-42.5177-71.1-174.5167.2-166.3-4.9112.1S87 E94R67-S87 PolarHBondContact N-O 3.3Å; R67-E94 IonicContact NH1-OE2 3.07Å; R67-E94 PolarHBondContact NH1-OE2 2.9Å; R67-E94 VanDerWaalsContact NH1-OE2 3.07Å
68K93.7Very high94Very high151 Ų15159.4 Ų59.466%0.65727%0.272SS*.EExtended strand (participates in β ladder)trans-148.2147.7-178.1-61.5-179.1-178.8173.10108.9S87K68-S87 PolarHBondContact O-N 2.88Å
69S92.9Very high93.9Very high31 Ų3160 Ų6022%0.21728%0.275CS..EExtended strand (participates in β ladder)trans-126146.817255.90000109.8N85S69-N85 CarbonylContact C-O 3.57Å; S69-N85 VanDerWaalsContact CA-O 3.28Å; S69-N85 WeakPolarHBondContact CA-O 3.16Å
70E92.4Very high93.8Very high63 Ų6359.7 Ų59.729%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-128.6124.3164.1-175.2178.2-161.600108.9K19 R72 R84 N85K19-E70 IonicContact NZ-OE1 2.84Å; E70-R72 IonicContact OE1-CZ 3.3Å; E70-R72 IonicContact OE1-NE 2.87Å; E70-R72 IonicContact OE1-NH2 3.02Å; E70-R72 PolarHBondContact OE1-NH2 2.96Å; E70-R72 IonicContact OE2-CZ 3.71Å; E70-R72 IonicContact OE2-NH2 2.83Å; E70-R72 PolarHBondContact OE2-NH2 3.3Å; E70-R84 WeakPolarHBondContact O-CA 3.09Å; E70-N85 PolarHBondContact N-O 3.46Å; E70-N85 PolarHBondContact O-N 2.9Å
71S93.1Very high93.8Very high9 Ų959 Ų596%0.06327%0.27CS..EExtended strand (participates in β ladder)trans-119.7132.3-175.9-49.50000110.2I20 E45 Q83I20-S71 PolarHBondContact N-O 3.15Å; E45-S71 PolarHBondContact O-OG 2.91Å; S71-Q83 CarbonylContact C-O 3.57Å; S71-Q83 WeakPolarHBondContact CA-O 3.21Å
72R93.8Very high93.8Very high78 Ų7859 Ų5929%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-126.7137.5178.1-61.8-169.1-174.5108.66.8111F16 N18 E70 V82 Q83F16-R72 HydrophobicContact CB-CB 3.7Å; F16-R72 WeakPolarHBondContact CD1-O 3.44Å; F16-R72 WeakPolarHBondContact O-CB 3.48Å; F16-R72 WeakPolarHBondContact O-CD 3.23Å; N18-R72 CarbonylContact O-C 3.51Å; N18-R72 VanDerWaalsContact O-CA 3.27Å; N18-R72 WeakPolarHBondContact O-CA 3.3Å; E70-R72 IonicContact OE1-CZ 3.3Å; E70-R72 IonicContact OE1-NE 2.87Å; E70-R72 IonicContact OE1-NH2 3.02Å; E70-R72 PolarHBondContact OE1-NH2 2.96Å; E70-R72 IonicContact OE2-CZ 3.71Å; E70-R72 IonicContact OE2-NH2 2.83Å; E70-R72 PolarHBondContact OE2-NH2 3.3Å; R72-V82 CarbonylContact O-C 3.45Å; R72-V82 VanDerWaalsContact O-CA 3.27Å; R72-V82 WeakPolarHBondContact O-CA 3.44Å; R72-V82 WeakPolarHBondContact O-CG2 3.45Å; R72-Q83 PolarHBondContact N-O 3.44Å; R72-Q83 PolarHBondContact O-N 2.91Å
73V93.1Very high93.8Very high1 Ų156.9 Ų56.91%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-102.7137.6-175.4170.20000111.3I17 N18 I20 F43 D75 L80 G81 V82I17-V73 PolarHBondContact N-O 3.19Å; N18-V73 HydrophobicContact CB-CB 4.29Å; N18-V73 PolarHBondContact N-O 3.33Å; N18-V73 PolarHBondContact O-N 2.9Å; I20-V73 HydrophobicContact CD1-CG2 3.37Å; I20-V73 HydrophobicContact CG1-CB 4.5Å; I20-V73 HydrophobicContact CG1-CG2 3.36Å; F43-V73 HydrophobicContact CD1-CG2 4.38Å; F43-V73 HydrophobicContact CD2-CG2 4.08Å; F43-V73 HydrophobicContact CE2-CG1 4.46Å; F43-V73 HydrophobicContact CE2-CG2 4.34Å; F43-V73 HydrophobicContact CG-CG2 4.1Å; V73-D75 HydrophobicContact CG1-CB 4.19Å; V73-L80 HydrophobicContact CG1-CD1 4.44Å; V73-G81 VanDerWaalsContact CA-O 3.31Å; V73-G81 WeakPolarHBondContact CA-O 3.45Å; V73-V82 HydrophobicContact CG2-CB 4.32Å; V73-V82 HydrophobicContact CG2-CG2 4.39Å
74L93.8Very high93.8Very high2 Ų256.9 Ų56.91%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-101.2126.6164-179.575.2000107.7V11 R15 F16 E76 L79 L80 G81 L102V11-L74 HydrophobicContact CG1-CD2 4Å; R15-L74 HydrophobicContact CB-CD1 3.56Å; R15-L74 WeakPolarHBondContact O-CD1 3.43Å; F16-L74 HydrophobicContact CD1-CB 3.59Å; F16-L74 HydrophobicContact CE1-CB 3.6Å; F16-L74 HydrophobicContact CE1-CD2 4.38Å; F16-L74 HydrophobicContact CG-CB 4.26Å; F16-L74 HydrophobicContact CZ-CB 4.29Å; F16-L74 HydrophobicContact CZ-CD2 4.33Å; L74-E76 HydrophobicContact CD1-CG 3.89Å; L74-E76 WeakPolarHBondContact CD1-OE1 2.97Å; L74-E76 HydrophobicContact CG-CG 4.22Å; L74-L79 HydrophobicContact CD2-CB 4.2Å; L74-L79 HydrophobicContact CD2-CD2 3.65Å; L74-L79 HydrophobicContact CD2-CG 3.82Å; L74-L80 CarbonylContact O-C 3.55Å; L74-L80 WeakPolarHBondContact O-CA 2.99Å; L74-L80 WeakPolarHBondContact O-CD1 3.5Å; L74-G81 PolarHBondContact N-O 3.39Å; L74-G81 PolarHBondContact O-N 2.89Å; L74-L102 HydrophobicContact CD2-CD2 4.35Å
75D91.7Very high93.8Very high47 Ų4754.7 Ų54.725%0.25125%0.254SS..EExtended strand (participates in β ladder)trans-141.794.9-179.9-177.8-2000108.3Q28 V73 L80Q28-D75 PolarHBondContact NE2-O 2.94Å; Q28-D75 PolarHBondContact NE2-OD1 3.5Å; V73-D75 HydrophobicContact CG1-CB 4.19Å; D75-L80 HydrophobicContact CB-CD1 4Å
76E92.7Very high94Very high55 Ų5548.3 Ų48.326%0.25722%0.22SC..EExtended strand (participates in β ladder)trans-132.2169.5-173.3-62.5173.2153.200110.7R15 L74 E78 L79R15-E76 IonicContact CZ-OE1 2.72Å; R15-E76 VanDerWaalsContact CZ-OE1 3.3Å; R15-E76 IonicContact CZ-OE2 3.92Å; R15-E76 VanDerWaalsContact CZ-OE2 3.29Å; R15-E76 IonicContact NE-OE1 3.48Å; R15-E76 PolarHBondContact NE-OE1 3.36Å; R15-E76 IonicContact NE-OE2 3.34Å; R15-E76 IonicContact NH2-OE1 3.78Å; R15-E76 PolarHBondContact NH2-OE1 3.17Å; R15-E76 IonicContact NH2-OE2 2.69Å; R15-E76 PolarHBondContact NH2-OE2 2.9Å; L74-E76 HydrophobicContact CD1-CG 3.89Å; L74-E76 WeakPolarHBondContact CD1-OE1 2.97Å; L74-E76 HydrophobicContact CG-CG 4.22Å; E76-E78 VanDerWaalsContact C-N 3.26Å; E76-E78 PolarHBondContact O-N 3.18Å; E76-L79 PolarHBondContact N-O 2.88Å; E76-L79 PolarHBondContact O-N 3.04Å
77E92.2Very high94.1Very high150 Ų15046.3 Ų46.370%0.70121%0.214SC*.THydrogen-bonded Turntrans-58.4-31.8-175.1-66.7-176.9173.300114.3F29F29-E77 VanDerWaalsContact CD1-O 3.27Å; F29-E77 WeakPolarHBondContact CD1-O 3.14Å
78E92.4Very high94.1Very high155 Ų15539.3 Ų39.372%0.72419%0.188SC*.THydrogen-bonded Turntrans-120.45.4-177.1-61.5-169.415400113.4E76 P105E76-E78 VanDerWaalsContact C-N 3.26Å; E76-E78 PolarHBondContact O-N 3.18Å; E78-P105 HydrophobicContact CB-CG 4.48Å; E78-P105 VanDerWaalsContact O-CD 3.23Å; E78-P105 WeakPolarHBondContact O-CD 3.45Å
79L94.8Very high94.1Very high20 Ų2034.7 Ų34.711%0.10517%0.171CC..EExtended strand (participates in β ladder)trans-158.2129.7-175.6-159.659.2000112.4V11 L74 E76 L102 H104V11-L79 HydrophobicContact CG2-CD2 3.61Å; L74-L79 HydrophobicContact CD2-CB 4.2Å; L74-L79 HydrophobicContact CD2-CD2 3.65Å; L74-L79 HydrophobicContact CD2-CG 3.82Å; E76-L79 PolarHBondContact N-O 2.88Å; E76-L79 PolarHBondContact O-N 3.04Å; L79-L102 HydrophobicContact CD1-CB 4.19Å; L79-L102 HydrophobicContact CD1-CD2 4.4Å; L79-L102 HydrophobicContact CD2-CD2 4.17Å; L79-L102 HydrophobicContact CG-CD2 4.22Å; L79-H104 WeakPolarHBondContact CD1-ND1 3.5Å
80L95.4Very high94.1Very high1 Ų134 Ų341%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-123136.9172.3176.168.3000108.5A25 P27 F29 I41 F43 V73 L74 D75 L102 M103A25-L80 HydrophobicContact CB-CD1 3.63Å; A25-L80 HydrophobicContact CB-CD2 4.34Å; P27-L80 HydrophobicContact CB-CD2 4.24Å; P27-L80 HydrophobicContact CG-CD2 3.7Å; F29-L80 HydrophobicContact CE1-CB 4.05Å; F29-L80 HydrophobicContact CZ-CB 3.85Å; I41-L80 HydrophobicContact CB-CD2 4.43Å; I41-L80 HydrophobicContact CD1-CD2 3.63Å; I41-L80 HydrophobicContact CG1-CD2 4.09Å; F43-L80 HydrophobicContact CE2-CD1 4.32Å; F43-L80 HydrophobicContact CZ-CD1 4.26Å; F43-L80 HydrophobicContact CZ-CG 4.24Å; V73-L80 HydrophobicContact CG1-CD1 4.44Å; L74-L80 CarbonylContact O-C 3.55Å; L74-L80 WeakPolarHBondContact O-CA 2.99Å; L74-L80 WeakPolarHBondContact O-CD1 3.5Å; D75-L80 HydrophobicContact CB-CD1 4Å; L80-L102 CarbonylContact O-C 3.58Å; L80-M103 HydrophobicContact CB-CB 4.43Å; L80-M103 PolarHBondContact N-O 2.8Å; L80-M103 PolarHBondContact O-N 3.11Å
81G95.1Very high94.1Very high3 Ų337.2 Ų37.23%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-172.5176.7-179.100000115.1V73 L74 N101V73-G81 VanDerWaalsContact CA-O 3.31Å; V73-G81 WeakPolarHBondContact CA-O 3.45Å; L74-G81 PolarHBondContact N-O 3.39Å; L74-G81 PolarHBondContact O-N 2.89Å; G81-N101 CarbonylContact C-O 3.52Å; G81-N101 WeakPolarHBondContact CA-O 3.17Å
82V95.2Very high94Very high0 Ų039.7 Ų39.70%021%0.211CC..EExtended strand (participates in β ladder)trans-140.6136176.258.70000110.4I20 F43 E48 R72 V73 R84 T100 N101I20-V82 HydrophobicContact CD1-CB 4.38Å; I20-V82 HydrophobicContact CD1-CG2 3.46Å; I20-V82 VanDerWaalsContact CD1-CG2 3.46Å; F43-V82 HydrophobicContact CD1-CB 3.79Å; F43-V82 HydrophobicContact CD1-CG1 3.68Å; F43-V82 HydrophobicContact CD1-CG2 4.38Å; F43-V82 HydrophobicContact CE1-CB 3.76Å; F43-V82 HydrophobicContact CE1-CG1 3.61Å; E48-V82 WeakPolarHBondContact OE1-CG1 3.4Å; R72-V82 CarbonylContact O-C 3.45Å; R72-V82 VanDerWaalsContact O-CA 3.27Å; R72-V82 WeakPolarHBondContact O-CA 3.44Å; R72-V82 WeakPolarHBondContact O-CG2 3.45Å; V73-V82 HydrophobicContact CG2-CB 4.32Å; V73-V82 HydrophobicContact CG2-CG2 4.39Å; V82-R84 VanDerWaalsContact CG1-NH1 3.3Å; V82-R84 HydrophobicContact CG2-CG 4.1Å; V82-T100 CarbonylContact O-C 3.54Å; V82-T100 WeakPolarHBondContact O-CA 3.39Å; V82-N101 HydrophobicContact CG1-CB 3.99Å; V82-N101 PolarHBondContact N-O 2.03Å; V82-N101 PolarHBondContact O-N 2.96Å
83Q95.3Very high94Very high4 Ų439.4 Ų39.42%0.01922%0.221CC..EExtended strand (participates in β ladder)trans-104.4129.6167.6-179.2171.294.900108.7S13 F16 S71 R72 T98 T100S13-Q83 PolarHBondContact OG-NE2 3.01Å; S13-Q83 PolarHBondContact OG-OE1 3.03Å; F16-Q83 HydrophobicContact CB-CB 4.39Å; F16-Q83 HydrophobicContact CD1-CB 3.76Å; F16-Q83 HydrophobicContact CD2-CB 4.05Å; F16-Q83 HydrophobicContact CE1-CB 3.97Å; F16-Q83 HydrophobicContact CE2-CB 4.24Å; F16-Q83 HydrophobicContact CG-CB 3.8Å; F16-Q83 HydrophobicContact CZ-CB 4.2Å; S71-Q83 CarbonylContact C-O 3.57Å; S71-Q83 WeakPolarHBondContact CA-O 3.21Å; R72-Q83 PolarHBondContact N-O 3.44Å; R72-Q83 PolarHBondContact O-N 2.91Å; Q83-T98 HydrophobicContact CG-CG2 3.81Å; Q83-T100 PolarHBondContact NE2-OG1 3.3Å
84R95.1Very high94.1Very high1 Ų144.5 Ų44.50%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-116.2129.8179.1-61.1-166.3170.875.74.5110.7Y44 E45 Y47 E48 E70 V82 F86 T98 M99 N101Y44-R84 PolarHBondContact O-NH2 3.26Å; E45-R84 VanDerWaalsContact O-CD 3.27Å; E45-R84 WeakPolarHBondContact O-CD 3.27Å; E45-R84 PolarHBondContact O-NE 3.34Å; Y47-R84 PolarHBondContact O-NH2 3.32Å; E48-R84 IonicContact OE1-CZ 2.75Å; E48-R84 IonicContact OE1-NH1 2.97Å; E48-R84 PolarHBondContact OE1-NH1 2.8Å; E48-R84 IonicContact OE1-NH2 3.61Å; E48-R84 PolarHBondContact OE1-NH2 3.29Å; E70-R84 WeakPolarHBondContact O-CA 3.09Å; V82-R84 VanDerWaalsContact CG1-NH1 3.3Å; V82-R84 HydrophobicContact CG2-CG 4.1Å; R84-F86 HydrophobicContact CB-CD2 4.27Å; R84-F86 HydrophobicContact CB-CE2 3.57Å; R84-F86 HydrophobicContact CB-CZ 3.75Å; R84-F86 VanDerWaalsContact CD-CZ 3.46Å; R84-F86 HydrophobicContact CG-CE2 4.47Å; R84-F86 HydrophobicContact CG-CZ 4.27Å; R84-T98 VanDerWaalsContact O-CA 3.3Å; R84-T98 WeakPolarHBondContact O-CA 3.49Å; R84-M99 PolarHBondContact N-O 3.39Å; R84-M99 PolarHBondContact O-N 3.09Å; R84-N101 PolarHBondContact NH1-ND2 3.35Å
85N95.5Very high94.2Very high35 Ų3546.5 Ų46.519%0.18726%0.257CS..EExtended strand (participates in β ladder)trans-107.5113.7170.2-65.5-58.8000109.1S69 E70 T96 A97 T98S69-N85 CarbonylContact C-O 3.57Å; S69-N85 VanDerWaalsContact CA-O 3.28Å; S69-N85 WeakPolarHBondContact CA-O 3.16Å; E70-N85 PolarHBondContact N-O 3.46Å; E70-N85 PolarHBondContact O-N 2.9Å; N85-T96 HydrophobicContact CB-CG2 4.17Å; N85-A97 CarbonylContact C-O 3.53Å; N85-A97 WeakPolarHBondContact CA-O 3.24Å; N85-T98 WeakPolarHBondContact OD1-CB 3.45Å; N85-T98 WeakPolarHBondContact OD1-CG2 3.39Å; N85-T98 PolarHBondContact OD1-OG1 3.15Å
86F96.4Very high94.4Very high0 Ų047.7 Ų47.70%027%0.266CS..EExtended strand (participates in β ladder)trans-100.5121.6176.9-59.7-80.5000110D46 I63 Y66 R84 I88 T96 A97 M99D46-F86 HydrophobicContact CB-CE1 4.45Å; I63-F86 HydrophobicContact CB-CG 4.49Å; I63-F86 HydrophobicContact CG1-CD2 4.23Å; Y66-F86 HydrophobicContact CD1-CD1 4.22Å; Y66-F86 HydrophobicContact CD1-CE1 4.47Å; Y66-F86 HydrophobicContact CD2-CD1 4.08Å; Y66-F86 AromaticContact CG-CD1 3.87Å; Y66-F86 HydrophobicContact CG-CD1 3.87Å; R84-F86 HydrophobicContact CB-CD2 4.27Å; R84-F86 HydrophobicContact CB-CE2 3.57Å; R84-F86 HydrophobicContact CB-CZ 3.75Å; R84-F86 VanDerWaalsContact CD-CZ 3.46Å; R84-F86 HydrophobicContact CG-CE2 4.47Å; R84-F86 HydrophobicContact CG-CZ 4.27Å; F86-I88 HydrophobicContact CB-CG2 3.96Å; F86-T96 CarbonylContact O-C 3.6Å; F86-T96 VanDerWaalsContact O-CA 3.31Å; F86-T96 WeakPolarHBondContact O-CA 3.31Å; F86-A97 PolarHBondContact N-O 3.18Å; F86-A97 PolarHBondContact O-N 3.45Å; F86-M99 HydrophobicContact CD2-CG 4.37Å; F86-M99 HydrophobicContact CD2-SD 4.02Å; F86-M99 HydrophobicContact CE2-CB 4.4Å; F86-M99 HydrophobicContact CE2-CG 4.22Å; F86-M99 HydrophobicContact CE2-SD 3.72Å
87S96.6Very high94.7Very high15 Ų1545 Ų4511%0.10525%0.254CS..EExtended strand (participates in β ladder)trans-82.1119.9164.1166.60000108.8R67 K68 E94R67-S87 PolarHBondContact N-O 3.3Å; K68-S87 PolarHBondContact O-N 2.88Å; S87-E94 WeakPolarHBondContact OG-CG 3.34Å; S87-E94 PolarHBondContact OG-OE1 2.98Å
88I95.4Very high94.9Very high5 Ų538.8 Ų38.83%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-130.9150.6-175.366.6171.3000110.7I63 F86 V90 E94 V95 A97 P117 I120I63-I88 HydrophobicContact CB-CG2 4.37Å; I63-I88 HydrophobicContact CD1-CD1 4.11Å; I63-I88 HydrophobicContact CD1-CG2 4.5Å; I63-I88 HydrophobicContact CG2-CD1 4.37Å; I63-I88 HydrophobicContact CG2-CG2 3.94Å; F86-I88 HydrophobicContact CB-CG2 3.96Å; I88-V90 HydrophobicContact CD1-CG2 3.86Å; I88-V90 HydrophobicContact CG1-CG2 4.06Å; I88-E94 WeakPolarHBondContact O-CA 3.31Å; I88-V95 HydrophobicContact CD1-CG2 4.17Å; I88-V95 HydrophobicContact CG1-CG2 3.61Å; I88-V95 WeakPolarHBondContact CG1-O 2.88Å; I88-V95 PolarHBondContact N-O 3.25Å; I88-V95 PolarHBondContact O-N 2.02Å; I88-A97 HydrophobicContact CD1-CB 4.48Å; I88-P117 HydrophobicContact CD1-CG 4.07Å; I88-I120 HydrophobicContact CD1-CD1 3.41Å; I88-I120 VanDerWaalsContact CD1-CD1 3.41Å; I88-I120 HydrophobicContact CD1-CG1 4.08Å
89N94.3Very high95.1Very high53 Ų5331.4 Ų31.428%0.28319%0.191SC..EExtended strand (participates in β ladder)trans-92.5121.6172.4-169.5-82.7000110.3G92 S93N89-G92 PolarHBondContact ND2-O 2.9Å; N89-G92 WeakPolarHBondContact OD1-CA 3.28Å; N89-G92 PolarHBondContact OD1-N 3.01Å; N89-S93 CarbonylContact C-O 3.43Å; N89-S93 WeakPolarHBondContact CA-O 3.42Å
90V92.6Very high95.2Very high17 Ų1730.6 Ų30.610%0.10319%0.187CC..EExtended strand (participates in β ladder)trans-123.4113174.2179.30000108I88 G92 S93 V95 P117 K119I88-V90 HydrophobicContact CD1-CG2 3.86Å; I88-V90 HydrophobicContact CG1-CG2 4.06Å; V90-G92 VanDerWaalsContact C-N 3.27Å; V90-G92 PolarHBondContact O-N 3.39Å; V90-S93 PolarHBondContact N-O 3.48Å; V90-S93 PolarHBondContact O-N 3.47Å; V90-S93 VanDerWaalsContact O-N 3.07Å; V90-V95 HydrophobicContact CB-CG2 3.98Å; V90-V95 HydrophobicContact CG2-CG2 3.56Å; V90-P117 HydrophobicContact CG2-CB 4.43Å; V90-K119 HydrophobicContact CG1-CB 3.64Å
91N91Very high95.2Very high131 Ų13130.9 Ų30.970%0.70119%0.189SC*.THydrogen-bonded Turntrans51.941.7179.5-59.3-20.1000113.8S93N91-S93 VanDerWaalsContact C-N 3.29Å; N91-S93 PolarHBondContact O-N 2.86Å
92G91.1Very high95.3Very high60 Ų6031.1 Ų31.162%0.61919%0.189SC*.THydrogen-bonded Turntrans88.7-17.7179.100000114.6N89 V90N89-G92 PolarHBondContact ND2-O 2.9Å; N89-G92 WeakPolarHBondContact OD1-CA 3.28Å; N89-G92 PolarHBondContact OD1-N 3.01Å; V90-G92 VanDerWaalsContact C-N 3.27Å; V90-G92 PolarHBondContact O-N 3.39Å
93S94Very high95.3Very high73 Ų7331.3 Ų31.351%0.5119%0.19SC..EExtended strand (participates in β ladder)trans-93.6139.3177.8-62.50000111.8N89 V90 N91N89-S93 CarbonylContact C-O 3.43Å; N89-S93 WeakPolarHBondContact CA-O 3.42Å; V90-S93 PolarHBondContact N-O 3.48Å; V90-S93 PolarHBondContact O-N 3.47Å; V90-S93 VanDerWaalsContact O-N 3.07Å; N91-S93 VanDerWaalsContact C-N 3.29Å; N91-S93 PolarHBondContact O-N 2.86Å
94E94.9Very high95.3Very high107 Ų10733 Ų3350%0.520%0.198SC..EExtended strand (participates in β ladder)trans-82.5123.3170.7-168.1164.713300109.5R67 S87 I88R67-E94 IonicContact NH1-OE2 3.07Å; R67-E94 PolarHBondContact NH1-OE2 2.9Å; R67-E94 VanDerWaalsContact NH1-OE2 3.07Å; S87-E94 WeakPolarHBondContact OG-CG 3.34Å; S87-E94 PolarHBondContact OG-OE1 2.98Å; I88-E94 WeakPolarHBondContact O-CA 3.31Å
95V96.6Very high95.2Very high45 Ų4535.6 Ų35.627%0.27322%0.215SC..EExtended strand (participates in β ladder)trans-131.1153.8-179.7-62.10000109.6I88 V90 P117I88-V95 HydrophobicContact CD1-CG2 4.17Å; I88-V95 HydrophobicContact CG1-CG2 3.61Å; I88-V95 WeakPolarHBondContact CG1-O 2.88Å; I88-V95 PolarHBondContact N-O 3.25Å; I88-V95 PolarHBondContact O-N 2.02Å; V90-V95 HydrophobicContact CB-CG2 3.98Å; V90-V95 HydrophobicContact CG2-CG2 3.56Å; V95-P117 HydrophobicContact CB-CG 4.23Å; V95-P117 HydrophobicContact CG2-CB 3.96Å; V95-P117 HydrophobicContact CG2-CG 3.58Å
96T96.9Very high94.9Very high71 Ų7138.8 Ų38.844%0.43623%0.232SC..EExtended strand (participates in β ladder)trans-96.6140.2176.4-55.60000109.8N85 F86 N115N85-T96 HydrophobicContact CB-CG2 4.17Å; F86-T96 CarbonylContact O-C 3.6Å; F86-T96 VanDerWaalsContact O-CA 3.31Å; F86-T96 WeakPolarHBondContact O-CA 3.31Å; T96-N115 PolarHBondContact O-ND2 2.88Å
97A97.3Very high94.7Very high0 Ų039.4 Ų39.40%024%0.239CC..EExtended strand (participates in β ladder)trans-117.1141.8162.200000109.8I63 N85 F86 I88 N115 P117I63-A97 HydrophobicContact CD1-CB 3.21Å; N85-A97 CarbonylContact C-O 3.53Å; N85-A97 WeakPolarHBondContact CA-O 3.24Å; F86-A97 PolarHBondContact N-O 3.18Å; F86-A97 PolarHBondContact O-N 3.45Å; I88-A97 HydrophobicContact CD1-CB 4.48Å; A97-N115 CarbonylContact C-O 3.48Å; A97-N115 WeakPolarHBondContact CA-O 3.48Å; A97-P117 HydrophobicContact CB-CG 4.39Å
98T96.6Very high94.6Very high18 Ų1840.5 Ų40.511%0.1124%0.241CC..EExtended strand (participates in β ladder)trans-124.5125.6-177.5-54.30000109.3Q83 R84 N85 D114 N115Q83-T98 HydrophobicContact CG-CG2 3.81Å; R84-T98 VanDerWaalsContact O-CA 3.3Å; R84-T98 WeakPolarHBondContact O-CA 3.49Å; N85-T98 WeakPolarHBondContact OD1-CB 3.45Å; N85-T98 WeakPolarHBondContact OD1-CG2 3.39Å; N85-T98 PolarHBondContact OD1-OG1 3.15Å; T98-D114 HydrophobicContact CG2-CB 3.68Å; T98-D114 PolarHBondContact O-N 3.31Å; T98-D114 VanDerWaalsContact O-N 3.09Å; T98-N115 PolarHBondContact N-O 3.24Å; T98-N115 PolarHBondContact O-N 2.83Å; T98-N115 VanDerWaalsContact O-N 3.12Å
99M96.7Very high94.7Very high1 Ų140.5 Ų40.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-136134.2-175-51.5177.384.500109.1N61 I63 R84 F86 Y113 I116 I151N61-M99 WeakPolarHBondContact OD1-CE 3.47Å; I63-M99 HydrophobicContact CD1-SD 4.23Å; I63-M99 HydrophobicContact CG1-SD 3.71Å; R84-M99 PolarHBondContact N-O 3.39Å; R84-M99 PolarHBondContact O-N 3.09Å; F86-M99 HydrophobicContact CD2-CG 4.37Å; F86-M99 HydrophobicContact CD2-SD 4.02Å; F86-M99 HydrophobicContact CE2-CB 4.4Å; F86-M99 HydrophobicContact CE2-CG 4.22Å; F86-M99 HydrophobicContact CE2-SD 3.72Å; M99-Y113 HydrophobicContact CE-CD1 3.58Å; M99-Y113 HydrophobicContact CE-CE1 3.44Å; M99-Y113 VanDerWaalsContact CE-CE1 3.44Å; M99-Y113 HydrophobicContact CG-CD1 4.44Å; M99-I116 HydrophobicContact CE-CD1 4.21Å; M99-I116 HydrophobicContact CG-CD1 3.87Å; M99-I116 HydrophobicContact SD-CD1 4.32Å; M99-I151 HydrophobicContact CE-CG2 4.06Å
100T96.6Very high94.8Very high3 Ų338.1 Ų38.12%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-122.6133.7-175.5-59.10000110.8F16 V82 Q83 L102 F111 Y112 D114F16-T100 HydrophobicContact CE1-CG2 4.07Å; F16-T100 HydrophobicContact CE2-CG2 4.36Å; F16-T100 HydrophobicContact CZ-CG2 3.53Å; V82-T100 CarbonylContact O-C 3.54Å; V82-T100 WeakPolarHBondContact O-CA 3.39Å; Q83-T100 PolarHBondContact NE2-OG1 3.3Å; T100-L102 HydrophobicContact CG2-CD2 4.08Å; T100-L102 HydrophobicContact CG2-CG 4.16Å; T100-F111 CarbonylContact O-C 3.57Å; T100-F111 WeakPolarHBondContact O-CA 3.31Å; T100-Y112 PolarHBondContact N-O 3.05Å; T100-Y112 PolarHBondContact O-N 2.97Å; T100-D114 WeakPolarHBondContact CB-OD2 3.43Å; T100-D114 PolarHBondContact N-OD2 2.92Å; T100-D114 PolarHBondContact OG1-OD2 3.41Å
101N96.3Very high95.1Very high7 Ų737.3 Ų37.34%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-111.8133.8172.6-65.8-10.6000109.3E48 N61 G81 V82 R84 S110 F111E48-N101 PolarHBondContact OE1-ND2 2.97Å; E48-N101 PolarHBondContact OE2-ND2 3.36Å; E48-N101 VanDerWaalsContact OE2-ND2 3.14Å; N61-N101 WeakPolarHBondContact CB-ND2 3.32Å; N61-N101 WeakPolarHBondContact CB-OD1 3.38Å; N61-N101 VanDerWaalsContact CG-OD1 3.27Å; N61-N101 PolarHBondContact ND2-OD1 3.22Å; G81-N101 CarbonylContact C-O 3.52Å; G81-N101 WeakPolarHBondContact CA-O 3.17Å; V82-N101 HydrophobicContact CG1-CB 3.99Å; V82-N101 PolarHBondContact N-O 2.03Å; V82-N101 PolarHBondContact O-N 2.96Å; R84-N101 PolarHBondContact NH1-ND2 3.35Å; N101-S110 CarbonylContact C-O 3.56Å; N101-S110 WeakPolarHBondContact CA-O 3.27Å; N101-F111 HydrophobicContact CB-CD1 4.41Å; N101-F111 WeakPolarHBondContact OD1-CD1 3.02Å
102L96.5Very high95.4Very high8 Ų831.8 Ų31.84%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-129.1140.5176.1-57.4171.3000110.3A10 V11 F16 L74 L79 L80 T100 V109 S110A10-L102 HydrophobicContact CB-CD1 4.04Å; V11-L102 HydrophobicContact CG2-CD1 3.71Å; V11-L102 HydrophobicContact CG2-CD2 4Å; F16-L102 HydrophobicContact CE1-CD2 4.46Å; F16-L102 HydrophobicContact CZ-CD2 4.11Å; L74-L102 HydrophobicContact CD2-CD2 4.35Å; L79-L102 HydrophobicContact CD1-CB 4.19Å; L79-L102 HydrophobicContact CD1-CD2 4.4Å; L79-L102 HydrophobicContact CD2-CD2 4.17Å; L79-L102 HydrophobicContact CG-CD2 4.22Å; L80-L102 CarbonylContact O-C 3.58Å; T100-L102 HydrophobicContact CG2-CD2 4.08Å; T100-L102 HydrophobicContact CG2-CG 4.16Å; L102-V109 CarbonylContact O-C 3.6Å; L102-V109 WeakPolarHBondContact O-CA 3.16Å; L102-S110 PolarHBondContact N-O 3.48Å; L102-S110 PolarHBondContact O-N 2.95Å
103M96.3Very high95.7Very high4 Ų428.9 Ų28.92%0.0216%0.164CC..EExtended strand (participates in β ladder)trans-114.8127.8169.9-179.66973.600108F29 Y33 I41 I59 L80 V109F29-M103 HydrophobicContact CE2-CG 4.25Å; F29-M103 HydrophobicContact CZ-CG 4.38Å; F29-M103 WeakPolarHBondContact CZ-O 3.37Å; Y33-M103 HydrophobicContact CD2-CE 4.06Å; I41-M103 HydrophobicContact CD1-CB 4.49Å; I41-M103 HydrophobicContact CD1-CE 4.1Å; I59-M103 HydrophobicContact CD1-CE 3.88Å; L80-M103 HydrophobicContact CB-CB 4.43Å; L80-M103 PolarHBondContact N-O 2.8Å; L80-M103 PolarHBondContact O-N 3.11Å; M103-V109 HydrophobicContact CE-CG2 3.62Å; M103-V109 HydrophobicContact SD-CG2 3.8Å
104H95.1Very high95.8Very high40 Ų4026.9 Ų26.919%0.18515%0.148CC..  trans-105.8161.6-178.3-60.9-88.6000111.7L79 N106 G107 K108 S110L79-H104 WeakPolarHBondContact CD1-ND1 3.5Å; H104-N106 WeakPolarHBondContact CB-OD1 3.42Å; H104-N106 PolarHBondContact O-N 2.97Å; H104-G107 PolarHBondContact O-N 2.93Å; H104-K108 HydrophobicContact CB-CB 4.17Å; H104-K108 PolarHBondContact CD2-O 3.31Å; H104-K108 PolarHBondContact N-O 3.12Å; H104-S110 PolarHBondContact CD2-OG 3.24Å; H104-S110 PolarHBondContact NE2-OG 2.98Å
105P92.7Very high95.8Very high55 Ų5525 Ų2536%0.35714%0.141SC..THydrogen-bonded Turntrans-55-34.7179-29.936.7000114.8F29 S30 E78 G107F29-P105 HydrophobicContact CB-CB 4.29Å; F29-P105 HydrophobicContact CB-CG 4.26Å; F29-P105 HydrophobicContact CD1-CG 4.37Å; F29-P105 VanDerWaalsContact CD2-CA 3.46Å; F29-P105 HydrophobicContact CD2-CB 4.07Å; F29-P105 HydrophobicContact CD2-CG 4.09Å; F29-P105 HydrophobicContact CE2-CG 4.49Å; F29-P105 HydrophobicContact CG-CB 4.25Å; F29-P105 HydrophobicContact CG-CG 3.98Å; S30-P105 VanDerWaalsContact O-O 3.07Å; E78-P105 HydrophobicContact CB-CG 4.48Å; E78-P105 VanDerWaalsContact O-CD 3.23Å; E78-P105 WeakPolarHBondContact O-CD 3.45Å; P105-G107 PolarHBondContact O-N 2.88Å; P105-G107 VanDerWaalsContact O-N 3.17Å
106N89Confident95.9Very high102 Ų10223.2 Ų23.255%0.54513%0.129SC..THydrogen-bonded Turntrans-77.38.1176.668.3-9000114.2H104 K108H104-N106 WeakPolarHBondContact CB-OD1 3.42Å; H104-N106 PolarHBondContact O-N 2.97Å; N106-K108 PolarHBondContact O-N 2.91Å; N106-K108 WeakPolarHBondContact OD1-CB 3.19Å; N106-K108 PolarHBondContact OD1-N 3.17Å
107G92.6Very high95.9Very high13 Ų1320.8 Ų20.813%0.13412%0.115CC..SBendtrans75.74.9-176.400000114.4S32 H104 P105 V109S32-G107 WeakPolarHBondContact O-CA 3.39Å; H104-G107 PolarHBondContact O-N 2.93Å; P105-G107 PolarHBondContact O-N 2.88Å; P105-G107 VanDerWaalsContact O-N 3.17Å; G107-V109 PolarHBondContact O-N 2.99Å
108K94.2Very high95.7Very high38 Ų3827.5 Ų27.517%0.16516%0.156CC..  trans-63.1135.2172.2-176.8176.267.9169.30109.4H104 N106 E158 F159H104-K108 HydrophobicContact CB-CB 4.17Å; H104-K108 PolarHBondContact CD2-O 3.31Å; H104-K108 PolarHBondContact N-O 3.12Å; N106-K108 PolarHBondContact O-N 2.91Å; N106-K108 WeakPolarHBondContact OD1-CB 3.19Å; N106-K108 PolarHBondContact OD1-N 3.17Å; K108-E158 HydrophobicContact CD-CB 4.3Å; K108-E158 HydrophobicContact CD-CG 4.48Å; K108-E158 WeakPolarHBondContact CE-OE1 3.34Å; K108-E158 IonicContact NZ-OE1 2.66Å; K108-E158 PolarHBondContact NZ-OE1 3.4Å; K108-F159 VanDerWaalsContact CA-O 3.32Å; K108-F159 WeakPolarHBondContact CA-O 3.45Å; K108-F159 WeakPolarHBondContact CG-O 3.33Å
109V96.9Very high95.6Very high4 Ų433.9 Ų33.92%0.02418%0.182CC..EExtended strand (participates in β ladder)trans-110.3130.1172179.30000108.6Y33 I59 L102 M103 G107 F111 I129 F159Y33-V109 HydrophobicContact CD2-CG2 4.24Å; Y33-V109 HydrophobicContact CE2-CG2 4.2Å; I59-V109 HydrophobicContact CD1-CG1 4.11Å; I59-V109 HydrophobicContact CD1-CG2 4.17Å; I59-V109 HydrophobicContact CG2-CG1 4.39Å; L102-V109 CarbonylContact O-C 3.6Å; L102-V109 WeakPolarHBondContact O-CA 3.16Å; M103-V109 HydrophobicContact CE-CG2 3.62Å; M103-V109 HydrophobicContact SD-CG2 3.8Å; G107-V109 PolarHBondContact O-N 2.99Å; V109-F111 HydrophobicContact CG1-CD1 4.36Å; V109-F111 HydrophobicContact CG1-CE1 3.81Å; V109-F111 HydrophobicContact CG1-CZ 4.48Å; V109-I129 HydrophobicContact CG1-CG2 4.16Å; V109-F159 HydrophobicContact CB-CB 4.35Å; V109-F159 HydrophobicContact CB-CD2 4.37Å; V109-F159 HydrophobicContact CG1-CD2 4.43Å; V109-F159 PolarHBondContact N-O 2.72Å; V109-F159 WeakPolarHBondContact O-CD2 3.49Å; V109-F159 PolarHBondContact O-N 3.42Å
110S97.1Very high95.5Very high3 Ų334.9 Ų34.92%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-121.3131.1-179.3-51.50000110.5N101 L102 H104 V157N101-S110 CarbonylContact C-O 3.56Å; N101-S110 WeakPolarHBondContact CA-O 3.27Å; L102-S110 PolarHBondContact N-O 3.48Å; L102-S110 PolarHBondContact O-N 2.95Å; H104-S110 PolarHBondContact CD2-OG 3.24Å; H104-S110 PolarHBondContact NE2-OG 2.98Å; S110-V157 CarbonylContact C-O 3.51Å; S110-V157 VanDerWaalsContact CA-O 3.25Å; S110-V157 WeakPolarHBondContact CA-O 3.27Å
111F97.9Very high95.4Very high0 Ų039.9 Ų39.90%021%0.211CC..EExtended strand (participates in β ladder)trans-105.5122166.4-58.7-22.6000108.9I59 N61 T100 N101 V109 Y113 I129 V146 L156 V157 F159I59-F111 HydrophobicContact CG2-CE1 3.4Å; I59-F111 VanDerWaalsContact CG2-CE1 3.4Å; I59-F111 HydrophobicContact CG2-CZ 3.69Å; N61-F111 HydrophobicContact CB-CD1 4.31Å; N61-F111 HydrophobicContact CB-CE1 4.3Å; N61-F111 HydrophobicContact CB-CG 4.49Å; N61-F111 HydrophobicContact CB-CZ 4.44Å; T100-F111 CarbonylContact O-C 3.57Å; T100-F111 WeakPolarHBondContact O-CA 3.31Å; N101-F111 HydrophobicContact CB-CD1 4.41Å; N101-F111 WeakPolarHBondContact OD1-CD1 3.02Å; V109-F111 HydrophobicContact CG1-CD1 4.36Å; V109-F111 HydrophobicContact CG1-CE1 3.81Å; V109-F111 HydrophobicContact CG1-CZ 4.48Å; F111-Y113 HydrophobicContact CB-CE1 4.42Å; F111-I129 HydrophobicContact CE1-CG2 4.37Å; F111-I129 HydrophobicContact CE2-CG2 4.32Å; F111-I129 HydrophobicContact CZ-CG2 3.64Å; F111-V146 HydrophobicContact CD2-CG2 4.02Å; F111-V146 HydrophobicContact CE2-CG2 4.32Å; F111-L156 CarbonylContact O-C 3.57Å; F111-L156 WeakPolarHBondContact O-CA 3.19Å; F111-V157 HydrophobicContact CB-CB 4.24Å; F111-V157 PolarHBondContact N-O 3.35Å; F111-V157 PolarHBondContact O-N 2.97Å; F111-F159 AromaticContact CD2-CE2 3.63Å; F111-F159 HydrophobicContact CD2-CE2 3.63Å; F111-F159 HydrophobicContact CD2-CZ 4.22Å; F111-F159 AromaticContact CE2-CE2 3.49Å; F111-F159 HydrophobicContact CE2-CE2 3.49Å; F111-F159 VanDerWaalsContact CE2-CE2 3.49Å; F111-F159 AromaticContact CE2-CZ 3.94Å; F111-F159 HydrophobicContact CE2-CZ 3.94Å; F111-F159 HydrophobicContact CG-CE2 4.24Å; F111-F159 AromaticContact CZ-CE2 4Å; F111-F159 HydrophobicContact CZ-CE2 4Å
112Y97.9Very high95.4Very high15 Ų1545 Ų456%0.05924%0.235CC..EExtended strand (participates in β ladder)trans-113.1132.8172.5-176.2-103.2000109.3Q7 S8 Q9 A10 T100 D114 L156Q7-Y112 HydrophobicContact CB-CE2 4.03Å; Q7-Y112 PolarHBondContact O-OH 2.63Å; S8-Y112 VanDerWaalsContact O-CE2 3.28Å; S8-Y112 WeakPolarHBondContact O-CE2 3.33Å; S8-Y112 PolarHBondContact O-OH 3.44Å; Q9-Y112 WeakPolarHBondContact CA-OH 3.06Å; Q9-Y112 HydrophobicContact CB-CE1 4.13Å; Q9-Y112 HydrophobicContact CG-CD1 4.49Å; Q9-Y112 HydrophobicContact CG-CE1 3.99Å; Q9-Y112 PolarHBondContact N-OH 3.02Å; Q9-Y112 VanDerWaalsContact N-OH 3.15Å; A10-Y112 HydrophobicContact CB-CG 4.32Å; T100-Y112 PolarHBondContact N-O 3.05Å; T100-Y112 PolarHBondContact O-N 2.97Å; Y112-D114 HydrophobicContact CD1-CB 4.23Å; Y112-D114 VanDerWaalsContact CD1-CG 3.4Å; Y112-D114 WeakPolarHBondContact CD1-OD1 3.42Å; Y112-D114 HydrophobicContact CE1-CB 3.95Å; Y112-D114 WeakPolarHBondContact CE1-OD1 2.95Å; Y112-L156 HydrophobicContact CD2-CB 4.21Å; Y112-L156 HydrophobicContact CD2-CD1 4.21Å
113Y97.7Very high95.3Very high0 Ų048.1 Ų48.10%026%0.257CS..EExtended strand (participates in β ladder)trans-104.884.9-178.3-57.3-63.3000109N61 M99 F111 N115 I116 S127 I151 E152 S153 G154 S155 V157N61-Y113 WeakPolarHBondContact OD1-CE1 3.35Å; M99-Y113 HydrophobicContact CE-CD1 3.58Å; M99-Y113 HydrophobicContact CE-CE1 3.44Å; M99-Y113 VanDerWaalsContact CE-CE1 3.44Å; M99-Y113 HydrophobicContact CG-CD1 4.44Å; F111-Y113 HydrophobicContact CB-CE1 4.42Å; Y113-N115 VanDerWaalsContact C-N 3.34Å; Y113-N115 PolarHBondContact O-N 2.85Å; Y113-I116 HydrophobicContact CD1-CD1 4.23Å; Y113-I116 HydrophobicContact CG-CG1 4.44Å; Y113-S127 WeakPolarHBondContact CE1-OG 3.39Å; Y113-S127 WeakPolarHBondContact OH-CB 3.31Å; Y113-S127 PolarHBondContact OH-OG 3.01Å; Y113-I151 HydrophobicContact CD1-CG2 3.75Å; Y113-I151 HydrophobicContact CE1-CB 4.36Å; Y113-I151 HydrophobicContact CE1-CG1 4.32Å; Y113-I151 HydrophobicContact CE1-CG2 3.55Å; Y113-I151 HydrophobicContact CE2-CB 4.37Å; Y113-I151 HydrophobicContact CE2-CG1 4.2Å; Y113-I151 HydrophobicContact CE2-CG2 4.33Å; Y113-I151 HydrophobicContact CG-CG2 4.23Å; Y113-E152 VanDerWaalsContact CB-O 3.29Å; Y113-E152 WeakPolarHBondContact CB-O 3.32Å; Y113-S153 CarbonylContact O-C 3.58Å; Y113-S153 WeakPolarHBondContact O-CA 3.41Å; Y113-G154 PolarHBondContact O-N 3.15Å; Y113-S155 WeakPolarHBondContact CD2-O 3.35Å; Y113-S155 PolarHBondContact N-O 2.57Å; Y113-V157 HydrophobicContact CE2-CG2 3.68Å
114D96.2Very high95.3Very high31 Ų3149.8 Ų49.817%0.16626%0.264CS..EExtended strand (participates in β ladder)trans-60.3-44-174.6-52.9-107.1000112Q9 T98 T100 Y112Q9-D114 WeakPolarHBondContact CG-OD1 3.47Å; Q9-D114 PolarHBondContact NE2-OD1 3.06Å; T98-D114 HydrophobicContact CG2-CB 3.68Å; T98-D114 PolarHBondContact O-N 3.31Å; T98-D114 VanDerWaalsContact O-N 3.09Å; T100-D114 WeakPolarHBondContact CB-OD2 3.43Å; T100-D114 PolarHBondContact N-OD2 2.92Å; T100-D114 PolarHBondContact OG1-OD2 3.41Å; Y112-D114 HydrophobicContact CD1-CB 4.23Å; Y112-D114 VanDerWaalsContact CD1-CG 3.4Å; Y112-D114 WeakPolarHBondContact CD1-OD1 3.42Å; Y112-D114 HydrophobicContact CE1-CB 3.95Å; Y112-D114 WeakPolarHBondContact CE1-OD1 2.95Å
115N95.8Very high95.4Very high67 Ų6748.3 Ų48.336%0.35826%0.258SS..EExtended strand (participates in β ladder)trans-153.3114.9179.9172.247000110.7T96 A97 T98 Y113T96-N115 PolarHBondContact O-ND2 2.88Å; A97-N115 CarbonylContact C-O 3.48Å; A97-N115 WeakPolarHBondContact CA-O 3.48Å; T98-N115 PolarHBondContact N-O 3.24Å; T98-N115 PolarHBondContact O-N 2.83Å; T98-N115 VanDerWaalsContact O-N 3.12Å; Y113-N115 VanDerWaalsContact C-N 3.34Å; Y113-N115 PolarHBondContact O-N 2.85Å
116I97.3Very high95.5Very high7 Ų748.2 Ų48.24%0.03625%0.253CS..  trans-121.6121.1175.3-53.8-63.6000108.9M99 Y113 T118 I120 L125 I151 S153M99-I116 HydrophobicContact CE-CD1 4.21Å; M99-I116 HydrophobicContact CG-CD1 3.87Å; M99-I116 HydrophobicContact SD-CD1 4.32Å; Y113-I116 HydrophobicContact CD1-CD1 4.23Å; Y113-I116 HydrophobicContact CG-CG1 4.44Å; I116-T118 PolarHBondContact O-N 3.27Å; I116-I120 HydrophobicContact CG2-CG2 4.07Å; I116-L125 HydrophobicContact CG2-CD1 4.42Å; I116-L125 HydrophobicContact CG2-CD2 3.94Å; I116-I151 HydrophobicContact CD1-CG2 4.32Å; I116-I151 HydrophobicContact CG1-CG2 4.43Å; I116-S153 PolarHBondContact N-OG 2.87Å; I116-S153 PolarHBondContact O-OG 2.74Å
117P96.4Very high95.9Very high20 Ų2043.6 Ų43.613%0.1323%0.228CC..  trans-59.8125.4177.9-27.937.6000112.5I88 V90 V95 A97 K119 I120I88-P117 HydrophobicContact CD1-CG 4.07Å; V90-P117 HydrophobicContact CG2-CB 4.43Å; V95-P117 HydrophobicContact CB-CG 4.23Å; V95-P117 HydrophobicContact CG2-CB 3.96Å; V95-P117 HydrophobicContact CG2-CG 3.58Å; A97-P117 HydrophobicContact CB-CG 4.39Å; P117-K119 PolarHBondContact O-N 3.45Å; P117-K119 VanDerWaalsContact O-N 3.09Å; P117-I120 WeakPolarHBondContact O-CB 3.4Å; P117-I120 WeakPolarHBondContact O-CG2 3.5Å; P117-I120 PolarHBondContact O-N 3.07Å; P117-I120 VanDerWaalsContact O-N 3.1Å
118T93.9Very high96.2Very high142 Ų14245.3 Ų45.387%0.87123%0.232SC*.THydrogen-bonded Turntrans-63.2-20.6-17454.70000115.1I116I116-T118 PolarHBondContact O-N 3.27Å
119K93.7Very high96.3Very high151 Ų15144 Ų4466%0.65723%0.226SC*.THydrogen-bonded Turntrans-97.48.1-179.7-65.1-177.3-178.1178.60113.5V90 P117V90-K119 HydrophobicContact CG1-CB 3.64Å; P117-K119 PolarHBondContact O-N 3.45Å; P117-K119 VanDerWaalsContact O-N 3.09Å
120I95Very high96.2Very high23 Ų2344 Ų4412%0.11823%0.226CC..SBendtrans-71.4143.3177.5-161.1178.9000110.8I63 I88 I116 P117 K124 L125I63-I120 HydrophobicContact CD1-CD1 3.91Å; I63-I120 HydrophobicContact CG2-CD1 3.62Å; I88-I120 HydrophobicContact CD1-CD1 3.41Å; I88-I120 VanDerWaalsContact CD1-CD1 3.41Å; I88-I120 HydrophobicContact CD1-CG1 4.08Å; I116-I120 HydrophobicContact CG2-CG2 4.07Å; P117-I120 WeakPolarHBondContact O-CB 3.4Å; P117-I120 WeakPolarHBondContact O-CG2 3.5Å; P117-I120 PolarHBondContact O-N 3.07Å; P117-I120 VanDerWaalsContact O-N 3.1Å; I120-K124 HydrophobicContact CD1-CB 4.21Å; I120-K124 HydrophobicContact CG1-CB 4.34Å; I120-K124 HydrophobicContact CG1-CD 4.31Å; I120-L125 HydrophobicContact CD1-CD2 3.81Å; I120-L125 HydrophobicContact CD1-CG 4.38Å; I120-L125 HydrophobicContact CG2-CD1 3.89Å; I120-L125 HydrophobicContact CG2-CD2 4.02Å; I120-L125 HydrophobicContact CG2-CG 4.09Å
121E94.6Very high96Very high107 Ų10743.8 Ų43.850%0.523%0.225SC..  trans-68.8129.3171.7-66.8160-125.500110.7S123 K124E121-S123 PolarHBondContact O-N 2.69Å; E121-S123 VanDerWaalsContact O-N 3.11Å; E121-K124 HydrophobicContact CB-CD 4.33Å; E121-K124 HydrophobicContact CB-CG 4.29Å; E121-K124 WeakPolarHBondContact O-CB 2.93Å; E121-K124 PolarHBondContact O-N 3.39Å; E121-K124 WeakPolarHBondContact OE1-CE 3.5Å; E121-K124 IonicContact OE1-NZ 3.16Å; E121-K124 PolarHBondContact OE1-NZ 3.03Å; E121-K124 IonicContact OE2-NZ 2.79Å
122E95.7Very high95.4Very high115 Ų11545.4 Ų45.454%0.53724%0.235SC..G310 helixtrans-54.4-32.8179-74.5-170.4-174.100113.2K124 L125 A148E122-K124 PolarHBondContact O-N 3.36Å; E122-K124 VanDerWaalsContact O-N 3.14Å; E122-L125 PolarHBondContact O-N 3.27Å; E122-A148 HydrophobicContact CB-CB 3.76Å; E122-A148 HydrophobicContact CG-CB 4.16Å
123S95.5Very high94.4Very high74 Ų7451.5 Ų51.552%0.51726%0.258SS..G310 helixtrans-61.8-21.8178.564.10000113.6E121 Q126E121-S123 PolarHBondContact O-N 2.69Å; E121-S123 VanDerWaalsContact O-N 3.11Å; S123-Q126 PolarHBondContact O-NE2 2.92Å
124K95.8Very high93.1Very high39 Ų3957 Ų5717%0.1729%0.286CS..G310 helixtrans-83-23.4177.3-63.3179.5-176.9161.10112.4I63 K64 I120 E121 E122I63-K124 CarbonylContact C-O 3.55Å; I63-K124 WeakPolarHBondContact CA-O 3.46Å; I63-K124 HydrophobicContact CG2-CB 4.08Å; K64-K124 HydrophobicContact CB-CB 4.49Å; K64-K124 PolarHBondContact N-O 3.49Å; I120-K124 HydrophobicContact CD1-CB 4.21Å; I120-K124 HydrophobicContact CG1-CB 4.34Å; I120-K124 HydrophobicContact CG1-CD 4.31Å; E121-K124 HydrophobicContact CB-CD 4.33Å; E121-K124 HydrophobicContact CB-CG 4.29Å; E121-K124 WeakPolarHBondContact O-CB 2.93Å; E121-K124 PolarHBondContact O-N 3.39Å; E121-K124 WeakPolarHBondContact OE1-CE 3.5Å; E121-K124 IonicContact OE1-NZ 3.16Å; E121-K124 PolarHBondContact OE1-NZ 3.03Å; E121-K124 IonicContact OE2-NZ 2.79Å; E122-K124 PolarHBondContact O-N 3.36Å; E122-K124 VanDerWaalsContact O-N 3.14Å
125L97Very high92Very high8 Ų857.3 Ų57.34%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-80.6122.5-178.6-60.2171.3000109.5I63 I116 I120 E122 A148 I151I63-L125 HydrophobicContact CD1-CD2 4.2Å; I63-L125 HydrophobicContact CG1-CD2 4.22Å; I116-L125 HydrophobicContact CG2-CD1 4.42Å; I116-L125 HydrophobicContact CG2-CD2 3.94Å; I120-L125 HydrophobicContact CD1-CD2 3.81Å; I120-L125 HydrophobicContact CD1-CG 4.38Å; I120-L125 HydrophobicContact CG2-CD1 3.89Å; I120-L125 HydrophobicContact CG2-CD2 4.02Å; I120-L125 HydrophobicContact CG2-CG 4.09Å; E122-L125 PolarHBondContact O-N 3.27Å; L125-A148 HydrophobicContact CB-CB 4.43Å; L125-I151 HydrophobicContact CB-CB 4.22Å; L125-I151 HydrophobicContact CB-CD1 3.9Å; L125-I151 HydrophobicContact CB-CG2 4.06Å; L125-I151 HydrophobicContact CD1-CB 3.99Å; L125-I151 HydrophobicContact CD1-CG2 4.06Å; L125-I151 WeakPolarHBondContact CD1-O 3.39Å; L125-I151 HydrophobicContact CD2-CG2 3.89Å; L125-I151 HydrophobicContact CG-CG2 4.23Å
126Q96.2Very high90.9Very high54 Ų5463.1 Ų63.125%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-135.8110.3-178.3-61.2-66.7-55.200110.2N61 Y62 K64 S123N61-Q126 WeakPolarHBondContact CA-O 3.38Å; Y62-Q126 HydrophobicContact CD1-CB 3.9Å; Y62-Q126 HydrophobicContact CE1-CB 3.52Å; Y62-Q126 HydrophobicContact CE1-CG 4.2Å; Y62-Q126 PolarHBondContact N-O 3.36Å; Y62-Q126 PolarHBondContact O-N 2.99Å; Y62-Q126 VanDerWaalsContact O-O 3.06Å; K64-Q126 HydrophobicContact CD-CG 3.99Å; K64-Q126 HydrophobicContact CG-CG 3.96Å; S123-Q126 PolarHBondContact O-NE2 2.92Å
127S97.6Very high89.7Confident4 Ų470 Ų703%0.02835%0.352CS..EExtended strand (participates in β ladder)trans-133124.9172-48.80000109.8N60 N61 Y113 V146 I151N60-S127 CarbonylContact O-C 3.56Å; N60-S127 VanDerWaalsContact O-CA 3.23Å; N60-S127 WeakPolarHBondContact O-CA 3.27Å; N61-S127 WeakPolarHBondContact OD1-CB 3.33Å; N61-S127 PolarHBondContact OD1-OG 2.85Å; Y113-S127 WeakPolarHBondContact CE1-OG 3.39Å; Y113-S127 WeakPolarHBondContact OH-CB 3.31Å; Y113-S127 PolarHBondContact OH-OG 3.01Å; S127-V146 PolarHBondContact O-N 3.31Å; S127-I151 WeakPolarHBondContact OG-CD1 3.19Å
128K96.9Very high88.7Confident49 Ų4973.4 Ų73.421%0.21337%0.368CS..EExtended strand (participates in β ladder)trans-158157179.762.3175.2-165.1174.70112N60 D130 E143 I144 S145N60-K128 HydrophobicContact CB-CG 3.73Å; N60-K128 PolarHBondContact N-O 3.23Å; N60-K128 WeakPolarHBondContact ND2-CE 3.42Å; N60-K128 PolarHBondContact O-N 3.45Å; N60-K128 VanDerWaalsContact O-O 3.1Å; K128-D130 WeakPolarHBondContact CE-OD2 3.24Å; K128-D130 IonicContact NZ-OD2 3.91Å; K128-E143 HydrophobicContact CB-CG 4.1Å; K128-E143 HydrophobicContact CD-CG 3.78Å; K128-E143 WeakPolarHBondContact CD-OE2 3.27Å; K128-E143 WeakPolarHBondContact CE-OE2 3.49Å; K128-E143 IonicContact NZ-OE2 3.61Å; K128-E143 PolarHBondContact NZ-OE2 3.26Å; K128-I144 VanDerWaalsContact CA-O 3.25Å; K128-I144 WeakPolarHBondContact CA-O 3.25Å; K128-S145 WeakPolarHBondContact CB-OG 3.16Å
129I96.8Very high87.6Confident10 Ų1073.7 Ų73.75%0.05136%0.36CS..EExtended strand (participates in β ladder)trans-116.3146162.461.3167.5000109Y33 Y34 I59 V109 F111 E143 I144 F159Y33-I129 WeakPolarHBondContact OH-CB 3.43Å; Y34-I129 HydrophobicContact CE2-CD1 4.04Å; Y34-I129 HydrophobicContact CE2-CG1 4.36Å; Y34-I129 PolarHBondContact OH-O 3.42Å; I59-I129 HydrophobicContact CG1-CG2 4.34Å; I59-I129 HydrophobicContact CG2-CG2 4.42Å; V109-I129 HydrophobicContact CG1-CG2 4.16Å; F111-I129 HydrophobicContact CE1-CG2 4.37Å; F111-I129 HydrophobicContact CE2-CG2 4.32Å; F111-I129 HydrophobicContact CZ-CG2 3.64Å; I129-E143 WeakPolarHBondContact O-CA 2.99Å; I129-I144 HydrophobicContact CD1-CD1 4.29Å; I129-I144 HydrophobicContact CG1-CB 3.97Å; I129-I144 HydrophobicContact CG1-CD1 4.47Å; I129-I144 HydrophobicContact CG1-CG1 4.44Å; I129-I144 PolarHBondContact N-O 3.47Å; I129-I144 VanDerWaalsContact N-O 3.08Å; I129-I144 PolarHBondContact O-N 3.43Å; I129-F159 HydrophobicContact CD1-CB 3.61Å; I129-F159 HydrophobicContact CD1-CD1 3.44Å; I129-F159 VanDerWaalsContact CD1-CD1 3.44Å; I129-F159 HydrophobicContact CD1-CD2 4.19Å; I129-F159 HydrophobicContact CD1-CE1 4.11Å; I129-F159 HydrophobicContact CD1-CG 3.48Å; I129-F159 VanDerWaalsContact CD1-CG 3.48Å; I129-F159 HydrophobicContact CG1-CD1 3.8Å; I129-F159 HydrophobicContact CG1-CE1 3.94Å; I129-F159 HydrophobicContact CG1-CG 4.11Å; I129-F159 HydrophobicContact CG1-CZ 4.36Å; I129-F159 HydrophobicContact CG2-CD2 4.14Å; I129-F159 HydrophobicContact CG2-CE2 4.18Å; I129-F159 HydrophobicContact CG2-CG 4.49Å
130D95.3Very high87Confident4 Ų473.9 Ų73.92%0.02136%0.356CS..EExtended strand (participates in β ladder)trans-145.7148.9176.555.864.4000112.7Y33 G57 S58 N60 K128 Y141 H142 E143Y33-D130 WeakPolarHBondContact CE1-O 3.21Å; Y33-D130 PolarHBondContact OH-N 3.47Å; Y33-D130 PolarHBondContact OH-O 3.28Å; G57-D130 CarbonylContact C-O 3.57Å; G57-D130 WeakPolarHBondContact CA-O 3.47Å; S58-D130 VanDerWaalsContact CB-OD1 3.31Å; S58-D130 WeakPolarHBondContact CB-OD1 3.31Å; S58-D130 PolarHBondContact N-O 3.41Å; S58-D130 PolarHBondContact N-OD1 3.3Å; S58-D130 PolarHBondContact O-N 2.88Å; S58-D130 PolarHBondContact OG-OD1 3.05Å; S58-D130 PolarHBondContact OG-OD2 2.93Å; N60-D130 PolarHBondContact ND2-OD2 2.57Å; K128-D130 WeakPolarHBondContact CE-OD2 3.24Å; K128-D130 IonicContact NZ-OD2 3.91Å; D130-Y141 HydrophobicContact CB-CD1 3.88Å; D130-Y141 HydrophobicContact CB-CE1 3.45Å; D130-Y141 VanDerWaalsContact CB-CE1 3.45Å; D130-Y141 WeakPolarHBondContact OD1-CE1 3.27Å; D130-Y141 PolarHBondContact OD1-OH 2.91Å; D130-H142 VanDerWaalsContact CA-O 3.31Å; D130-H142 WeakPolarHBondContact CA-O 3.48Å; D130-E143 HydrophobicContact CB-CB 4.42Å
131G92.9Very high86.5Confident0 Ų078.7 Ų78.70%037%0.374CS..EExtended strand (participates in β ladder)trans-161.3164.9-178.700000111.7H142G131-H142 PolarHBondContact N-O 2.92Å; G131-H142 PolarHBondContact O-N 2.83Å
132P86Confident86.2Confident33 Ų3377.4 Ų77.421%0.21437%0.368CS..EExtended strand (participates in β ladder)trans-67141.1176.330.8-32.1000109.5I56 R140I56-P132 WeakPolarHBondContact O-CD 3.26Å; P132-R140 CarbonylContact C-O 3.49Å
133R77Confident86.2Confident144 Ų14476.5 Ų76.554%0.54336%0.363SS..EExtended strand (participates in β ladder)trans-127.5119.1167.4-170.2-179.4-175.5-154.2-2.9107.4R140 H142R133-R140 PolarHBondContact N-O 3.02Å; R133-R140 PolarHBondContact O-N 3.19Å; R133-R140 VanDerWaalsContact O-O 3.14Å; R133-H142 HydrophobicContact CB-CB 4.23Å
134I70Confident86.2Confident115 Ų11575.6 Ų75.659%0.5935%0.352SS*.EExtended strand (participates in β ladder)trans-83.6118.9173.1-57174.1000106.9
135C71.9Confident86.2Confident37 Ų3776.1 Ų76.125%0.2536%0.361CS..EExtended strand (participates in β ladder)trans-126.8112.7170.5-65.10000108.1D137 I138C135-D137 VanDerWaalsContact C-N 3.31Å; C135-D137 PolarHBondContact O-N 3.47Å; C135-I138 PolarHBondContact N-O 2.93Å; C135-I138 VanDerWaalsContact N-O 3.1Å; C135-I138 WeakPolarHBondContact O-CA 3.49Å; C135-I138 WeakPolarHBondContact O-CB 3.13Å; C135-I138 PolarHBondContact O-N 3.3Å
136E73.5Confident86.3Confident189 Ų18976.1 Ų76.188%0.88336%0.361SS*.THydrogen-bonded Turntrans47.352.6173.8-60.7174.6179.700112.1I138E136-I138 PolarHBondContact O-N 3.37Å
137D72.2Confident86.4Confident151 Ų15176.2 Ų76.281%0.80737%0.366SS*.THydrogen-bonded Turntrans65.50.5-177.1-53.2-40.8000116.7C135C135-D137 VanDerWaalsContact C-N 3.31Å; C135-D137 PolarHBondContact O-N 3.47Å
138I75.6Confident86.3Confident92 Ų9277.1 Ų77.147%0.47237%0.374SS..EExtended strand (participates in β ladder)trans-91.6115.8171.7-53.9177.2000109.2C135 E136 R140C135-I138 PolarHBondContact N-O 2.93Å; C135-I138 VanDerWaalsContact N-O 3.1Å; C135-I138 WeakPolarHBondContact O-CA 3.49Å; C135-I138 WeakPolarHBondContact O-CB 3.13Å; C135-I138 PolarHBondContact O-N 3.3Å; E136-I138 PolarHBondContact O-N 3.37Å; I138-R140 HydrophobicContact CG2-CG 3.93Å; I138-R140 PolarHBondContact O-N 2.87Å; I138-R140 VanDerWaalsContact O-N 3.13Å
139H70Confident86.3Confident149 Ų14981 Ų8169%0.6939%0.391SS*.EExtended strand (participates in β ladder)trans-69.2105.2166.5-67.2-94.4000109
140R82.8Confident86.3Confident154 Ų15484.8 Ų84.858%0.58141%0.405SS*.EExtended strand (participates in β ladder)trans-103.9149.6167.9-66-170.2-179.1175.73.6109.3P132 R133 I138P132-R140 CarbonylContact C-O 3.49Å; R133-R140 PolarHBondContact N-O 3.02Å; R133-R140 PolarHBondContact O-N 3.19Å; R133-R140 VanDerWaalsContact O-O 3.14Å; I138-R140 HydrophobicContact CG2-CG 3.93Å; I138-R140 PolarHBondContact O-N 2.87Å; I138-R140 VanDerWaalsContact O-N 3.13Å
141Y83.1Confident86.4Confident124 Ų12484.8 Ų84.849%0.48641%0.405SS..EExtended strand (participates in β ladder)trans-101.7118.8171.5-146.2-115.8000107.7G57 S58 D130G57-Y141 VanDerWaalsContact CA-OH 3.31Å; G57-Y141 WeakPolarHBondContact CA-OH 3.25Å; S58-Y141 PolarHBondContact N-OH 2.82Å; D130-Y141 HydrophobicContact CB-CD1 3.88Å; D130-Y141 HydrophobicContact CB-CE1 3.45Å; D130-Y141 VanDerWaalsContact CB-CE1 3.45Å; D130-Y141 WeakPolarHBondContact OD1-CE1 3.27Å; D130-Y141 PolarHBondContact OD1-OH 2.91Å
142H89.7Confident86.6Confident81 Ų8187.6 Ų87.638%0.37542%0.418SS..EExtended strand (participates in β ladder)trans-103.3121.9-176.1-176.8-82000110.2Y34 D130 G131 R133Y34-H142 HydrophobicContact CE1-CB 4.3Å; Y34-H142 PolarHBondContact OH-O 3.24Å; D130-H142 VanDerWaalsContact CA-O 3.31Å; D130-H142 WeakPolarHBondContact CA-O 3.48Å; G131-H142 PolarHBondContact N-O 2.92Å; G131-H142 PolarHBondContact O-N 2.83Å; R133-H142 HydrophobicContact CB-CB 4.23Å
143E93.9Very high87.1Confident95 Ų9588.7 Ų88.744%0.44443%0.427SS..EExtended strand (participates in β ladder)trans-103.7137.1179.5-178-179.9106.600110.8K128 I129 D130 S145K128-E143 HydrophobicContact CB-CG 4.1Å; K128-E143 HydrophobicContact CD-CG 3.78Å; K128-E143 WeakPolarHBondContact CD-OE2 3.27Å; K128-E143 WeakPolarHBondContact CE-OE2 3.49Å; K128-E143 IonicContact NZ-OE2 3.61Å; K128-E143 PolarHBondContact NZ-OE2 3.26Å; I129-E143 WeakPolarHBondContact O-CA 2.99Å; D130-E143 HydrophobicContact CB-CB 4.42Å; E143-S145 PolarHBondContact OE1-OG 3.18Å
144I95.7Very high88.1Confident55 Ų5582.4 Ų82.428%0.28241%0.406SS..EExtended strand (participates in β ladder)trans-117.6104.1165.7-50.2177.5000107.6M1 K128 I129 F159M1-I144 HydrophobicContact CB-CG2 4.43Å; M1-I144 HydrophobicContact SD-CG2 4.17Å; K128-I144 VanDerWaalsContact CA-O 3.25Å; K128-I144 WeakPolarHBondContact CA-O 3.25Å; I129-I144 HydrophobicContact CD1-CD1 4.29Å; I129-I144 HydrophobicContact CG1-CB 3.97Å; I129-I144 HydrophobicContact CG1-CD1 4.47Å; I129-I144 HydrophobicContact CG1-CG1 4.44Å; I129-I144 PolarHBondContact N-O 3.47Å; I129-I144 VanDerWaalsContact N-O 3.08Å; I129-I144 PolarHBondContact O-N 3.43Å; I144-F159 HydrophobicContact CB-CD1 4.43Å; I144-F159 HydrophobicContact CB-CE1 4.05Å; I144-F159 HydrophobicContact CG2-CD1 4.12Å; I144-F159 HydrophobicContact CG2-CE1 3.63Å
145S97.2Very high89.4Confident50 Ų5077 Ų7735%0.3538%0.378SS..EExtended strand (participates in β ladder)trans-93.3136.7179.2-81.10000111.7K128 E143K128-S145 WeakPolarHBondContact CB-OG 3.16Å; E143-S145 PolarHBondContact OE1-OG 3.18Å
146V98Very high90.6Very high9 Ų976.2 Ų76.26%0.05537%0.372CS..PPolyproline II helixtrans-76.2126.6170.7-174.70000108.4M1 I3 F111 S127 A148 W150 I151 V157 F159M1-V146 HydrophobicContact SD-CG2 4.3Å; I3-V146 HydrophobicContact CD1-CG1 4.35Å; F111-V146 HydrophobicContact CD2-CG2 4.02Å; F111-V146 HydrophobicContact CE2-CG2 4.32Å; S127-V146 PolarHBondContact O-N 3.31Å; V146-A148 PolarHBondContact O-N 2.88Å; V146-W150 HydrophobicContact CG1-CB 4.44Å; V146-I151 HydrophobicContact CB-CD1 4.28Å; V146-I151 HydrophobicContact CB-CG1 4.32Å; V146-I151 HydrophobicContact CG1-CD1 4.34Å; V146-I151 HydrophobicContact CG1-CG1 3.84Å; V146-V157 HydrophobicContact CG1-CG2 3.83Å; V146-V157 HydrophobicContact CG2-CB 4.4Å; V146-V157 HydrophobicContact CG2-CG1 3.89Å; V146-V157 HydrophobicContact CG2-CG2 4.19Å; V146-F159 HydrophobicContact CG2-CE2 4.44Å; V146-F159 HydrophobicContact CG2-CZ 3.76Å
147P97.5Very high91.7Very high55 Ų5567.2 Ų67.236%0.35733%0.33SS..PPolyproline II helixtrans-60.4128.4174.6-21.231.7000110.8K149 W150P147-K149 HydrophobicContact CB-CG 4.26Å; P147-K149 PolarHBondContact O-N 2.97Å; P147-K149 VanDerWaalsContact O-N 3.1Å; P147-W150 WeakPolarHBondContact O-CB 3.47Å; P147-W150 PolarHBondContact O-N 2.8Å
148A97.2Very high92.9Very high23 Ų2361.3 Ų61.319%0.1930%0.297CS..G310 helixtrans-55.1-34.2-172.500000114.2E122 L125 V146 W150 I151E122-A148 HydrophobicContact CB-CB 3.76Å; E122-A148 HydrophobicContact CG-CB 4.16Å; L125-A148 HydrophobicContact CB-CB 4.43Å; V146-A148 PolarHBondContact O-N 2.88Å; A148-W150 PolarHBondContact O-N 2.9Å; A148-I151 WeakPolarHBondContact O-CB 3.45Å; A148-I151 PolarHBondContact O-N 2.74Å
149K95.9Very high93.8Very high131 Ų13157.4 Ų57.457%0.5728%0.277SS*.G310 helixtrans-57.9-18.6174.268.8175.9-176.41760115.3P147P147-K149 HydrophobicContact CB-CG 4.26Å; P147-K149 PolarHBondContact O-N 2.97Å; P147-K149 VanDerWaalsContact O-N 3.1Å
150W96.9Very high94.9Very high89 Ų8954.1 Ų54.134%0.33726%0.262SS..G310 helixtrans-100.50.1176.9-61.5127000112.9I3 V146 P147 A148 E152 S155I3-W150 HydrophobicContact CD1-CB 3.93Å; I3-W150 HydrophobicContact CD1-CG 3.8Å; I3-W150 HydrophobicContact CG2-CB 4Å; I3-W150 HydrophobicContact CG2-CD2 4.42Å; I3-W150 HydrophobicContact CG2-CG 4.18Å; V146-W150 HydrophobicContact CG1-CB 4.44Å; P147-W150 WeakPolarHBondContact O-CB 3.47Å; P147-W150 PolarHBondContact O-N 2.8Å; A148-W150 PolarHBondContact O-N 2.9Å; W150-E152 PolarHBondContact O-N 2.84Å; W150-S155 WeakPolarHBondContact O-CB 3.42Å
151I97.7Very high95.1Very high4 Ų451 Ų512%0.02127%0.269CS..  trans-91.881.8175.8-55179.1000107.4M99 Y113 I116 L125 S127 V146 A148M99-I151 HydrophobicContact CE-CG2 4.06Å; Y113-I151 HydrophobicContact CD1-CG2 3.75Å; Y113-I151 HydrophobicContact CE1-CB 4.36Å; Y113-I151 HydrophobicContact CE1-CG1 4.32Å; Y113-I151 HydrophobicContact CE1-CG2 3.55Å; Y113-I151 HydrophobicContact CE2-CB 4.37Å; Y113-I151 HydrophobicContact CE2-CG1 4.2Å; Y113-I151 HydrophobicContact CE2-CG2 4.33Å; Y113-I151 HydrophobicContact CG-CG2 4.23Å; I116-I151 HydrophobicContact CD1-CG2 4.32Å; I116-I151 HydrophobicContact CG1-CG2 4.43Å; L125-I151 HydrophobicContact CB-CB 4.22Å; L125-I151 HydrophobicContact CB-CD1 3.9Å; L125-I151 HydrophobicContact CB-CG2 4.06Å; L125-I151 HydrophobicContact CD1-CB 3.99Å; L125-I151 HydrophobicContact CD1-CG2 4.06Å; L125-I151 WeakPolarHBondContact CD1-O 3.39Å; L125-I151 HydrophobicContact CD2-CG2 3.89Å; L125-I151 HydrophobicContact CG-CG2 4.23Å; S127-I151 WeakPolarHBondContact OG-CD1 3.19Å; V146-I151 HydrophobicContact CB-CD1 4.28Å; V146-I151 HydrophobicContact CB-CG1 4.32Å; V146-I151 HydrophobicContact CG1-CD1 4.34Å; V146-I151 HydrophobicContact CG1-CG1 3.84Å; A148-I151 WeakPolarHBondContact O-CB 3.45Å; A148-I151 PolarHBondContact O-N 2.74Å
152E96.8Very high95.1Very high59 Ų5949 Ų4928%0.27627%0.266SS..SBendtrans-142161.3-179.365.1-177.3159.500110.4R5 Y113 W150 G154 S155R5-E152 IonicContact CZ-OE1 3Å; R5-E152 IonicContact NE-OE1 2.65Å; R5-E152 PolarHBondContact NE-OE1 2.95Å; R5-E152 IonicContact NH2-OE1 2.69Å; R5-E152 PolarHBondContact NH2-OE1 2.95Å; R5-E152 IonicContact NH2-OE2 3.03Å; R5-E152 PolarHBondContact NH2-OE2 3.45Å; Y113-E152 VanDerWaalsContact CB-O 3.29Å; Y113-E152 WeakPolarHBondContact CB-O 3.32Å; W150-E152 PolarHBondContact O-N 2.84Å; E152-G154 PolarHBondContact O-N 3.41Å; E152-S155 VanDerWaalsContact CG-OG 3.29Å; E152-S155 WeakPolarHBondContact CG-OG 3.11Å; E152-S155 VanDerWaalsContact O-CB 3.32Å; E152-S155 WeakPolarHBondContact O-CB 3.38Å; E152-S155 PolarHBondContact O-N 2.66Å; E152-S155 VanDerWaalsContact O-N 3.11Å; E152-S155 PolarHBondContact O-OG 3.33Å
153S97.3Very high94.8Very high57 Ų5746.1 Ų46.140%0.39926%0.258SS..THydrogen-bonded Turntrans-52.2132.8-179-56.40000112.7Y113 I116 S155Y113-S153 CarbonylContact O-C 3.58Å; Y113-S153 WeakPolarHBondContact O-CA 3.41Å; I116-S153 PolarHBondContact N-OG 2.87Å; I116-S153 PolarHBondContact O-OG 2.74Å; S153-S155 VanDerWaalsContact C-N 3.3Å
154G96.7Very high94.3Very high11 Ų1149.4 Ų49.411%0.11327%0.273CS..THydrogen-bonded Turntrans76.911.8179.300000114.4R5 Y6 Q7 Y113 E152R5-G154 CarbonylContact C-O 3.54Å; Y6-G154 PolarHBondContact N-O 2.83Å; Q7-G154 PolarHBondContact N-O 3.22Å; Y113-G154 PolarHBondContact O-N 3.15Å; E152-G154 PolarHBondContact O-N 3.41Å
155S97.5Very high94.1Very high1 Ų151.2 Ų51.21%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-89.6139.9171.3-67.20000111.6Q4 Y113 W150 E152 S153Q4-S155 CarbonylContact O-C 3.52Å; Q4-S155 WeakPolarHBondContact O-CA 3.36Å; Y113-S155 WeakPolarHBondContact CD2-O 3.35Å; Y113-S155 PolarHBondContact N-O 2.57Å; W150-S155 WeakPolarHBondContact O-CB 3.42Å; E152-S155 VanDerWaalsContact CG-OG 3.29Å; E152-S155 WeakPolarHBondContact CG-OG 3.11Å; E152-S155 VanDerWaalsContact O-CB 3.32Å; E152-S155 WeakPolarHBondContact O-CB 3.38Å; E152-S155 PolarHBondContact O-N 2.66Å; E152-S155 VanDerWaalsContact O-N 3.11Å; E152-S155 PolarHBondContact O-OG 3.33Å; S153-S155 VanDerWaalsContact C-N 3.3Å
156L97.4Very high93.9Very high22 Ų2248.8 Ų48.812%0.11527%0.266CS..EExtended strand (participates in β ladder)trans-120.6127.1176.1176.765.3000108.9I3 Q4 Q7 F111 Y112 E158I3-L156 CarbonylContact C-O 3.57Å; I3-L156 WeakPolarHBondContact CA-O 3.43Å; Q4-L156 PolarHBondContact N-O 2.78Å; Q4-L156 PolarHBondContact O-N 2.79Å; Q7-L156 HydrophobicContact CB-CB 4.18Å; Q7-L156 HydrophobicContact CG-CB 3.77Å; Q7-L156 HydrophobicContact CG-CD2 4.39Å; F111-L156 CarbonylContact O-C 3.57Å; F111-L156 WeakPolarHBondContact O-CA 3.19Å; Y112-L156 HydrophobicContact CD2-CB 4.21Å; Y112-L156 HydrophobicContact CD2-CD1 4.21Å; L156-E158 HydrophobicContact CD1-CG 4.43Å; L156-E158 HydrophobicContact CD2-CG 4.22Å; L156-E158 HydrophobicContact CG-CG 4.06Å
157V97.6Very high93.6Very high0 Ų050.3 Ų50.30%028%0.277CS..EExtended strand (participates in β ladder)trans-115.5126174.4-175.90000109M1 R2 I3 S110 F111 Y113 V146 F159M1-V157 HydrophobicContact CG-CG1 3.67Å; M1-V157 HydrophobicContact SD-CG1 4Å; R2-V157 CarbonylContact O-C 3.42Å; R2-V157 VanDerWaalsContact O-CA 3.3Å; R2-V157 WeakPolarHBondContact O-CA 3.32Å; I3-V157 HydrophobicContact CG1-CG1 4.26Å; I3-V157 HydrophobicContact CG1-CG2 4.13Å; I3-V157 HydrophobicContact CG2-CG2 4.36Å; S110-V157 CarbonylContact C-O 3.51Å; S110-V157 VanDerWaalsContact CA-O 3.25Å; S110-V157 WeakPolarHBondContact CA-O 3.27Å; F111-V157 HydrophobicContact CB-CB 4.24Å; F111-V157 PolarHBondContact N-O 3.35Å; F111-V157 PolarHBondContact O-N 2.97Å; Y113-V157 HydrophobicContact CE2-CG2 3.68Å; V146-V157 HydrophobicContact CG1-CG2 3.83Å; V146-V157 HydrophobicContact CG2-CB 4.4Å; V146-V157 HydrophobicContact CG2-CG1 3.89Å; V146-V157 HydrophobicContact CG2-CG2 4.19Å; V157-F159 HydrophobicContact CG1-CD2 4.36Å; V157-F159 HydrophobicContact CG1-CE1 4.41Å; V157-F159 HydrophobicContact CG1-CE2 3.69Å; V157-F159 HydrophobicContact CG1-CZ 3.72Å
158E96.1Very high93.4Very high27 Ų2753.7 Ų53.713%0.12629%0.288CS..EExtended strand (participates in β ladder)trans-116.9128.4178.7-60.5-177.2111.100110.6M1 R2 K108 L156M1-E158 CarbonylContact C-O 3.57Å; M1-E158 WeakPolarHBondContact CA-O 3.35Å; R2-E158 PolarHBondContact N-O 2.91Å; R2-E158 IonicContact NH1-OE2 3.7Å; R2-E158 PolarHBondContact NH1-OE2 2.84Å; R2-E158 PolarHBondContact O-N 3.3Å; K108-E158 HydrophobicContact CD-CB 4.3Å; K108-E158 HydrophobicContact CD-CG 4.48Å; K108-E158 WeakPolarHBondContact CE-OE1 3.34Å; K108-E158 IonicContact NZ-OE1 2.66Å; K108-E158 PolarHBondContact NZ-OE1 3.4Å; L156-E158 HydrophobicContact CD1-CG 4.43Å; L156-E158 HydrophobicContact CD2-CG 4.22Å; L156-E158 HydrophobicContact CG-CG 4.06Å
159F95.7Very high93.3Very high9 Ų956 Ų564%0.03929%0.292CS..EExtended strand (participates in β ladder)trans-107.4116.4170.6-55.3-90000108.6M1 K108 V109 F111 I129 I144 V146 V157M1-F159 HydrophobicContact CB-CD1 3.95Å; M1-F159 HydrophobicContact CB-CE1 3.99Å; M1-F159 HydrophobicContact CG-CD1 4.05Å; M1-F159 HydrophobicContact CG-CE1 3.7Å; M1-F159 HydrophobicContact CG-CZ 4.25Å; M1-F159 HydrophobicContact SD-CD1 4.5Å; M1-F159 HydrophobicContact SD-CE1 3.61Å; M1-F159 HydrophobicContact SD-CZ 4Å; K108-F159 VanDerWaalsContact CA-O 3.32Å; K108-F159 WeakPolarHBondContact CA-O 3.45Å; K108-F159 WeakPolarHBondContact CG-O 3.33Å; V109-F159 HydrophobicContact CB-CB 4.35Å; V109-F159 HydrophobicContact CB-CD2 4.37Å; V109-F159 HydrophobicContact CG1-CD2 4.43Å; V109-F159 PolarHBondContact N-O 2.72Å; V109-F159 WeakPolarHBondContact O-CD2 3.49Å; V109-F159 PolarHBondContact O-N 3.42Å; F111-F159 AromaticContact CD2-CE2 3.63Å; F111-F159 HydrophobicContact CD2-CE2 3.63Å; F111-F159 HydrophobicContact CD2-CZ 4.22Å; F111-F159 AromaticContact CE2-CE2 3.49Å; F111-F159 HydrophobicContact CE2-CE2 3.49Å; F111-F159 VanDerWaalsContact CE2-CE2 3.49Å; F111-F159 AromaticContact CE2-CZ 3.94Å; F111-F159 HydrophobicContact CE2-CZ 3.94Å; F111-F159 HydrophobicContact CG-CE2 4.24Å; F111-F159 AromaticContact CZ-CE2 4Å; F111-F159 HydrophobicContact CZ-CE2 4Å; I129-F159 HydrophobicContact CD1-CB 3.61Å; I129-F159 HydrophobicContact CD1-CD1 3.44Å; I129-F159 VanDerWaalsContact CD1-CD1 3.44Å; I129-F159 HydrophobicContact CD1-CD2 4.19Å; I129-F159 HydrophobicContact CD1-CE1 4.11Å; I129-F159 HydrophobicContact CD1-CG 3.48Å; I129-F159 VanDerWaalsContact CD1-CG 3.48Å; I129-F159 HydrophobicContact CG1-CD1 3.8Å; I129-F159 HydrophobicContact CG1-CE1 3.94Å; I129-F159 HydrophobicContact CG1-CG 4.11Å; I129-F159 HydrophobicContact CG1-CZ 4.36Å; I129-F159 HydrophobicContact CG2-CD2 4.14Å; I129-F159 HydrophobicContact CG2-CE2 4.18Å; I129-F159 HydrophobicContact CG2-CG 4.49Å; I144-F159 HydrophobicContact CB-CD1 4.43Å; I144-F159 HydrophobicContact CB-CE1 4.05Å; I144-F159 HydrophobicContact CG2-CD1 4.12Å; I144-F159 HydrophobicContact CG2-CE1 3.63Å; V146-F159 HydrophobicContact CG2-CE2 4.44Å; V146-F159 HydrophobicContact CG2-CZ 3.76Å; V157-F159 HydrophobicContact CG1-CD2 4.36Å; V157-F159 HydrophobicContact CG1-CE1 4.41Å; V157-F159 HydrophobicContact CG1-CE2 3.69Å; V157-F159 HydrophobicContact CG1-CZ 3.72Å
160E91.8Very high93.3Very high81 Ų8156 Ų5638%0.37930%0.298SS..  trans-123.1139.3178-167.6-178.5-179.600108.5K206E160-K206 IonicContact OE1-NZ 2.57Å; E160-K206 PolarHBondContact OE1-NZ 3.49Å; E160-K206 WeakPolarHBondContact OE2-CE 3.46Å; E160-K206 IonicContact OE2-NZ 3.29Å; E160-K206 PolarHBondContact OE2-NZ 3.42Å
161A87.5Confident93.2Very high89 Ų8954.6 Ų54.674%0.73630%0.299SS*.PPolyproline II helixtrans-66.1138.2174.400000110
162I82.7Confident93.1Very high81 Ų8157 Ų5742%0.41532%0.315SS..PPolyproline II helixtrans-84.4120.1168.6-60.6175.3000106.5
163G84.2Confident93Very high20 Ų2060.7 Ų60.721%0.20633%0.332CS..PPolyproline II helixtrans-55.9141.3175.900000112.3S167 E196G163-S167 WeakPolarHBondContact O-CB 3.36Å; G163-E196 WeakPolarHBondContact CA-OE2 3.31Å
164E84.3Confident93Very high165 Ų16560.6 Ų60.677%0.77133%0.329SS*.Hα-helixtrans-74.1-32.8-172.1-63.6-173.6166.400112.2S167E164-S167 WeakPolarHBondContact CA-OG 3.39Å; E164-S167 PolarHBondContact O-N 3.28Å; E164-S167 PolarHBondContact O-OG 3.18Å
165I90.1Very high92.9Very high92 Ų9260.1 Ų60.147%0.47232%0.324SS..Hα-helixtrans-65.6-55.7-172.4-54.9172000110.8S167 Q168 M183I165-S167 PolarHBondContact O-N 3.32Å; I165-Q168 VanDerWaalsContact O-CD 3.31Å; I165-Q168 WeakPolarHBondContact O-CG 3.41Å; I165-Q168 PolarHBondContact O-N 2.91Å; I165-Q168 PolarHBondContact O-NE2 3.08Å; I165-M183 HydrophobicContact CB-CE 4.45Å; I165-M183 HydrophobicContact CB-SD 3.52Å; I165-M183 VanDerWaalsContact CB-SD 3.52Å; I165-M183 HydrophobicContact CD1-SD 4.01Å; I165-M183 HydrophobicContact CG1-SD 4.37Å; I165-M183 HydrophobicContact CG2-CE 3.64Å; I165-M183 HydrophobicContact CG2-SD 3.36Å; I165-M183 WeakPolarHBondContact CG2-SD 3.27Å
166C94.2Very high92.7Very high0 Ų065.6 Ų65.60%035%0.349CS..Hα-helixtrans-63.9-31.7177.3-63.30000111.4Q168 Y169 M183 C185 C194 E196C166-Q168 PolarHBondContact O-N 2.87Å; C166-Y169 WeakPolarHBondContact O-CD2 3.4Å; C166-Y169 PolarHBondContact O-N 3.35Å; C166-Y169 VanDerWaalsContact O-N 3.15Å; C166-M183 VanDerWaalsContact SG-SD 3.65Å; C166-C185 HydrophobicContact CB-CB 3.84Å; C166-C185 WeakPolarHBondContact CB-SG 2.96Å; C166-C185 WeakPolarHBondContact SG-CA 3.38Å; C166-C185 WeakPolarHBondContact SG-CB 3.08Å; C166-C185 CovalentContact SG-SG 2.03Å; C166-C185 PolarHBondContact SG-SG 3.24Å; C166-C194 WeakPolarHBondContact O-CB 3.34Å; C166-C194 PolarHBondContact O-SG 2.87Å; C166-E196 HydrophobicContact CB-CB 3.99Å; C166-E196 VanDerWaalsContact SG-CA 3.55Å
167S91.4Very high92.6Very high40 Ų4070.4 Ų70.428%0.2838%0.375SS..Hα-helixtrans-65.2-14.3-173.781.40000115.1G163 E164 I165 Y169G163-S167 WeakPolarHBondContact O-CB 3.36Å; E164-S167 WeakPolarHBondContact CA-OG 3.39Å; E164-S167 PolarHBondContact O-N 3.28Å; E164-S167 PolarHBondContact O-OG 3.18Å; I165-S167 PolarHBondContact O-N 3.32Å; S167-Y169 VanDerWaalsContact C-N 3.35Å
168Q93.2Very high92.5Very high126 Ų12670.9 Ų70.959%0.58938%0.379SS*.THydrogen-bonded Turntrans-74.2-22.4176.979.5-165-17.700113.5I165 C166I165-Q168 VanDerWaalsContact O-CD 3.31Å; I165-Q168 WeakPolarHBondContact O-CG 3.41Å; I165-Q168 PolarHBondContact O-N 2.91Å; I165-Q168 PolarHBondContact O-NE2 3.08Å; C166-Q168 PolarHBondContact O-N 2.87Å
169Y95.1Very high92.4Very high72 Ų7272.4 Ų72.428%0.28239%0.39SS..  trans-84.3124.9-178.9-56.1-76.3000110.8C166 S167 A178 C194C166-Y169 WeakPolarHBondContact O-CD2 3.4Å; C166-Y169 PolarHBondContact O-N 3.35Å; C166-Y169 VanDerWaalsContact O-N 3.15Å; S167-Y169 VanDerWaalsContact C-N 3.35Å; Y169-A178 HydrophobicContact CD1-CB 4.32Å; Y169-A178 HydrophobicContact CD2-CB 3.48Å; Y169-A178 VanDerWaalsContact CD2-CB 3.48Å; Y169-A178 HydrophobicContact CE1-CB 3.98Å; Y169-A178 HydrophobicContact CE2-CB 3.12Å; Y169-A178 HydrophobicContact CG-CB 4.08Å; Y169-C194 VanDerWaalsContact O-CB 3.28Å; Y169-C194 WeakPolarHBondContact O-CB 3.49Å
170N94.8Very high92.2Very high132 Ų13275.8 Ų75.871%0.70641%0.412SS*.  trans-1083.8-17066.2-0000114.1W187N170-W187 VanDerWaalsContact O-CH2 3.27Å; N170-W187 WeakPolarHBondContact O-CH2 3.23Å
171T94.9Very high92.1Very high58 Ų5877.6 Ų77.636%0.35643%0.433SS..SBendtrans-128.2155.8173.2730000111.3E173 T174 C175T171-E173 VanDerWaalsContact C-N 3.33Å; T171-E173 PolarHBondContact O-N 2.86Å; T171-T174 PolarHBondContact N-OG1 2.68Å; T171-T174 PolarHBondContact O-N 3.39Å; T171-T174 PolarHBondContact O-OG1 3.2Å; T171-T174 VanDerWaalsContact O-OG1 3.12Å; T171-T174 WeakPolarHBondContact OG1-CB 3.36Å; T171-T174 VanDerWaalsContact OG1-CG2 3.29Å; T171-T174 WeakPolarHBondContact OG1-CG2 3.14Å; T171-T174 PolarHBondContact OG1-N 2.69Å; T171-T174 PolarHBondContact OG1-OG1 3.46Å; T171-C175 WeakPolarHBondContact O-CB 3.39Å; T171-C175 PolarHBondContact O-N 3.45Å
172T95.1Very high92.1Very high56 Ų5680 Ų8034%0.34443%0.434SS..Hα-helixtrans-55.6-48177-51.80000112C175 Q176 W187T172-C175 WeakPolarHBondContact O-CB 3.39Å; T172-C175 PolarHBondContact O-N 2.88Å; T172-Q176 WeakPolarHBondContact O-CG 3.25Å; T172-Q176 PolarHBondContact O-N 3.37Å; T172-W187 HydrophobicContact CG2-CB 3.94Å; T172-W187 HydrophobicContact CG2-CG 3.98Å; T172-W187 VanDerWaalsContact OG1-CD1 3.31Å; T172-W187 PolarHBondContact OG1-NE1 2.83Å
173E95.4Very high92.5Very high136 Ų13677 Ų7764%0.63642%0.418SS*.Hα-helixtrans-64.1-49.5-178-177.6-178.1-178.100111.8T171 C175 Q176 N177T171-E173 VanDerWaalsContact C-N 3.33Å; T171-E173 PolarHBondContact O-N 2.86Å; E173-C175 VanDerWaalsContact C-N 3.28Å; E173-C175 PolarHBondContact O-N 3.45Å; E173-Q176 PolarHBondContact O-N 3.12Å; E173-N177 WeakPolarHBondContact O-CB 3.13Å; E173-N177 VanDerWaalsContact O-CG 3.26Å; E173-N177 PolarHBondContact O-N 3.14Å; E173-N177 PolarHBondContact O-ND2 3.5Å
174T96.7Very high93Very high55 Ų5578.4 Ų78.434%0.33742%0.423SS..Hα-helixtrans-64.3-35.7179.256.60000111.9T171 A178T171-T174 PolarHBondContact N-OG1 2.68Å; T171-T174 PolarHBondContact O-N 3.39Å; T171-T174 PolarHBondContact O-OG1 3.2Å; T171-T174 VanDerWaalsContact O-OG1 3.12Å; T171-T174 WeakPolarHBondContact OG1-CB 3.36Å; T171-T174 VanDerWaalsContact OG1-CG2 3.29Å; T171-T174 WeakPolarHBondContact OG1-CG2 3.14Å; T171-T174 PolarHBondContact OG1-N 2.69Å; T171-T174 PolarHBondContact OG1-OG1 3.46Å; T174-A178 WeakPolarHBondContact O-CB 3.3Å; T174-A178 PolarHBondContact O-N 2.88Å
175C96.4Very high93.5Very high0 Ų070.8 Ų70.80%039%0.388CS..Hα-helixtrans-65.3-46.2175.61790000112.7T171 T172 E173 A178 C185 F186 W187 C194T171-C175 WeakPolarHBondContact O-CB 3.39Å; T171-C175 PolarHBondContact O-N 3.45Å; T172-C175 WeakPolarHBondContact O-CB 3.39Å; T172-C175 PolarHBondContact O-N 2.88Å; E173-C175 VanDerWaalsContact C-N 3.28Å; E173-C175 PolarHBondContact O-N 3.45Å; C175-A178 WeakPolarHBondContact O-CB 3.34Å; C175-A178 PolarHBondContact O-N 2.89Å; C175-C185 WeakPolarHBondContact O-CB 3.39Å; C175-F186 PolarHBondContact SG-O 3.37Å; C175-W187 HydrophobicContact CB-CB 4.41Å; C175-W187 HydrophobicContact CB-CE3 3.88Å; C175-W187 PolarHBondContact SG-N 3.49Å; C175-W187 VanDerWaalsContact SG-N 3.45Å; C175-C194 WeakPolarHBondContact CA-SG 3.12Å; C175-C194 HydrophobicContact CB-CB 3.58Å; C175-C194 WeakPolarHBondContact CB-SG 3.29Å; C175-C194 VanDerWaalsContact SG-CA 3.51Å; C175-C194 WeakPolarHBondContact SG-CB 3Å; C175-C194 CovalentContact SG-SG 2.02Å; C175-C194 PolarHBondContact SG-SG 2.58Å
176Q93.3Very high93.7Very high116 Ų11667.2 Ų67.254%0.54237%0.369SS..Hα-helixtrans-65.3-42.6179.4-74173.1-31.800111.3T172 E173 A178 T179T172-Q176 WeakPolarHBondContact O-CG 3.25Å; T172-Q176 PolarHBondContact O-N 3.37Å; E173-Q176 PolarHBondContact O-N 3.12Å; Q176-A178 PolarHBondContact O-N 2.87Å; Q176-T179 PolarHBondContact O-N 3.34Å; Q176-T179 PolarHBondContact O-OG1 2.72Å
177N95.3Very high93.8Very high123 Ų12369.1 Ų69.166%0.65838%0.376SS*.Hα-helixtrans-70-14.2179.2-68.1-17.7000113.8E173 T179E173-N177 WeakPolarHBondContact O-CB 3.13Å; E173-N177 VanDerWaalsContact O-CG 3.26Å; E173-N177 PolarHBondContact O-N 3.14Å; E173-N177 PolarHBondContact O-ND2 3.5Å; N177-T179 VanDerWaalsContact C-N 3.29Å
178A94.5Very high93.9Very high10 Ų1067.6 Ų67.68%0.08337%0.366CS..THydrogen-bonded Turntrans-78.9-10.1177.500000114.2Y169 T174 C175 Q176 T180 M183 C185Y169-A178 HydrophobicContact CD1-CB 4.32Å; Y169-A178 HydrophobicContact CD2-CB 3.48Å; Y169-A178 VanDerWaalsContact CD2-CB 3.48Å; Y169-A178 HydrophobicContact CE1-CB 3.98Å; Y169-A178 HydrophobicContact CE2-CB 3.12Å; Y169-A178 HydrophobicContact CG-CB 4.08Å; T174-A178 WeakPolarHBondContact O-CB 3.3Å; T174-A178 PolarHBondContact O-N 2.88Å; C175-A178 WeakPolarHBondContact O-CB 3.34Å; C175-A178 PolarHBondContact O-N 2.89Å; Q176-A178 PolarHBondContact O-N 2.87Å; A178-T180 PolarHBondContact O-N 3.48Å; A178-M183 VanDerWaalsContact O-CE 3.31Å; A178-M183 WeakPolarHBondContact O-CE 3.47Å; A178-C185 HydrophobicContact CB-CB 4.34Å
179T93.6Very high93.9Very high60 Ų6066.4 Ų66.437%0.36836%0.36SS..  trans-63.4134178.6-66.50000111Q176 N177 M183 T184 C185Q176-T179 PolarHBondContact O-N 3.34Å; Q176-T179 PolarHBondContact O-OG1 2.72Å; N177-T179 VanDerWaalsContact C-N 3.29Å; T179-M183 WeakPolarHBondContact CA-O 2.99Å; T179-T184 HydrophobicContact CG2-CG2 4.49Å; T179-C185 PolarHBondContact OG1-N 3.22Å; T179-C185 PolarHBondContact OG1-O 3.05Å; T179-C185 VanDerWaalsContact OG1-O 3.09Å
180T92Very high93.8Very high79 Ų7969 Ų6949%0.48537%0.373SS..BIsolated β-bridgetrans-126.5178.6177.767.60000110.3A178 N182 M183A178-T180 PolarHBondContact O-N 3.48Å; T180-N182 PolarHBondContact O-N 3.21Å; T180-N182 PolarHBondContact OG1-N 2.97Å; T180-M183 PolarHBondContact N-O 3.4Å; T180-M183 PolarHBondContact O-N 3.24Å; T180-M183 VanDerWaalsContact O-O 3.09Å; T180-M183 PolarHBondContact OG1-N 3.29Å
181S88.8Confident93.5Very high120 Ų12065.1 Ų65.184%0.83936%0.364SS*.THydrogen-bonded Turntrans-61.7-25.5176.560.80000114
182N88.9Confident93.4Very high139 Ų13970.2 Ų70.274%0.74338%0.381SS*.THydrogen-bonded Turntrans-109.3-6.3-173.8-63.2-2.6000112.8T180T180-N182 PolarHBondContact O-N 3.21Å; T180-N182 PolarHBondContact OG1-N 2.97Å
183M91.4Very high93.3Very high18 Ų1871.8 Ų71.89%0.08938%0.383CS..BIsolated β-bridgetrans-148.7123.2-174.1-179.7-169.263.400110.1I165 C166 A178 T179 T180 C185 E196 N198I165-M183 HydrophobicContact CB-CE 4.45Å; I165-M183 HydrophobicContact CB-SD 3.52Å; I165-M183 VanDerWaalsContact CB-SD 3.52Å; I165-M183 HydrophobicContact CD1-SD 4.01Å; I165-M183 HydrophobicContact CG1-SD 4.37Å; I165-M183 HydrophobicContact CG2-CE 3.64Å; I165-M183 HydrophobicContact CG2-SD 3.36Å; I165-M183 WeakPolarHBondContact CG2-SD 3.27Å; C166-M183 VanDerWaalsContact SG-SD 3.65Å; A178-M183 VanDerWaalsContact O-CE 3.31Å; A178-M183 WeakPolarHBondContact O-CE 3.47Å; T179-M183 WeakPolarHBondContact CA-O 2.99Å; T180-M183 PolarHBondContact N-O 3.4Å; T180-M183 PolarHBondContact O-N 3.24Å; T180-M183 VanDerWaalsContact O-O 3.09Å; T180-M183 PolarHBondContact OG1-N 3.29Å; M183-C185 VanDerWaalsContact CE-SG 3.56Å; M183-E196 HydrophobicContact CG-CG 3.91Å; M183-N198 VanDerWaalsContact CA-OD1 3.29Å; M183-N198 WeakPolarHBondContact CA-OD1 3.33Å
184T93.3Very high93.3Very high49 Ų4965.3 Ų65.330%0.30135%0.353SS..  trans-104119177.9-580000109.5T179 S197 N198T179-T184 HydrophobicContact CG2-CG2 4.49Å; T184-S197 WeakPolarHBondContact CB-O 3.35Å; T184-S197 PolarHBondContact O-N 3.34Å; T184-N198 PolarHBondContact N-OD1 3.3Å
185C95.1Very high93.2Very high6 Ų664 Ų644%0.04134%0.344CS..EExtended strand (participates in β ladder)trans-105137.2174.6-61.10000110.1C166 C175 A178 T179 M183C166-C185 HydrophobicContact CB-CB 3.84Å; C166-C185 WeakPolarHBondContact CB-SG 2.96Å; C166-C185 WeakPolarHBondContact SG-CA 3.38Å; C166-C185 WeakPolarHBondContact SG-CB 3.08Å; C166-C185 CovalentContact SG-SG 2.03Å; C166-C185 PolarHBondContact SG-SG 3.24Å; C175-C185 WeakPolarHBondContact O-CB 3.39Å; A178-C185 HydrophobicContact CB-CB 4.34Å; T179-C185 PolarHBondContact OG1-N 3.22Å; T179-C185 PolarHBondContact OG1-O 3.05Å; T179-C185 VanDerWaalsContact OG1-O 3.09Å; M183-C185 VanDerWaalsContact CE-SG 3.56Å
186F94.5Very high93Very high17 Ų1766.1 Ų66.18%0.07535%0.353CS..EExtended strand (participates in β ladder)trans-137.3151.4170.183.2-80000111.6C175 C188 I195 K206 V207 C210C175-F186 PolarHBondContact SG-O 3.37Å; F186-C188 HydrophobicContact CE2-CB 4.34Å; F186-I195 HydrophobicContact CD1-CB 4.29Å; F186-I195 WeakPolarHBondContact CD1-O 3.09Å; F186-I195 HydrophobicContact CE1-CB 3.72Å; F186-I195 HydrophobicContact CE1-CG2 3.8Å; F186-I195 HydrophobicContact CZ-CB 4.05Å; F186-I195 HydrophobicContact CZ-CD1 4.34Å; F186-I195 HydrophobicContact CZ-CG2 4.28Å; F186-I195 PolarHBondContact N-O 2.03Å; F186-I195 PolarHBondContact O-N 2.8Å; F186-K206 HydrophobicContact CE1-CB 3.98Å; F186-K206 HydrophobicContact CZ-CB 3.76Å; F186-V207 HydrophobicContact CB-CG2 4.44Å; F186-V207 HydrophobicContact CD1-CG2 4.49Å; F186-V207 HydrophobicContact CD2-CG2 3.73Å; F186-V207 HydrophobicContact CE2-CG2 4.08Å; F186-V207 HydrophobicContact CG-CG2 3.96Å; F186-C210 HydrophobicContact CE2-CB 3.85Å; F186-C210 HydrophobicContact CZ-CB 4.48Å
187W95.3Very high92.9Very high40 Ų4060.6 Ų60.615%0.15233%0.328CS..EExtended strand (participates in β ladder)trans-86.1121.3-179.1-176.7-101000111.3N170 T172 C175 Q189 K192 C194N170-W187 VanDerWaalsContact O-CH2 3.27Å; N170-W187 WeakPolarHBondContact O-CH2 3.23Å; T172-W187 HydrophobicContact CG2-CB 3.94Å; T172-W187 HydrophobicContact CG2-CG 3.98Å; T172-W187 VanDerWaalsContact OG1-CD1 3.31Å; T172-W187 PolarHBondContact OG1-NE1 2.83Å; C175-W187 HydrophobicContact CB-CB 4.41Å; C175-W187 HydrophobicContact CB-CE3 3.88Å; C175-W187 PolarHBondContact SG-N 3.49Å; C175-W187 VanDerWaalsContact SG-N 3.45Å; W187-Q189 PolarHBondContact O-N 3.14Å; W187-K192 HydrophobicContact CZ2-CB 4.36Å; W187-C194 HydrophobicContact CE3-CB 4.09Å; W187-C194 HydrophobicContact CZ3-CB 4.31Å
188C94.7Very high92.5Very high8 Ų858.1 Ų58.15%0.05431%0.314CS..EExtended strand (participates in β ladder)trans-89.6104174.7-174.70000110.9F186 K190 G191 K192 K193 I195 C210F186-C188 HydrophobicContact CE2-CB 4.34Å; C188-K190 PolarHBondContact O-N 2.79Å; C188-G191 CarbonylContact O-C 3.59Å; C188-G191 PolarHBondContact O-N 2.73Å; C188-K192 WeakPolarHBondContact O-CA 3.45Å; C188-K192 PolarHBondContact O-N 2.83Å; C188-K193 VanDerWaalsContact CB-O 3.27Å; C188-K193 WeakPolarHBondContact CB-O 3.33Å; C188-K193 PolarHBondContact N-O 2.9Å; C188-K193 PolarHBondContact O-N 3.46Å; C188-I195 HydrophobicContact CB-CD1 3.55Å; C188-I195 HydrophobicContact CB-CG1 4.07Å; C188-C210 HydrophobicContact CB-CB 3.69Å; C188-C210 WeakPolarHBondContact CB-SG 3.36Å; C188-C210 WeakPolarHBondContact SG-CB 3.44Å; C188-C210 CovalentContact SG-SG 2.03Å; C188-C210 PolarHBondContact SG-SG 3.34Å
189Q93.6Very high92Very high101 Ų10160.6 Ų60.647%0.47233%0.326SS..THydrogen-bonded Turntrans-65.7-42.4-175.1-171.864.86.900113W187 G191 K192 C210 V212W187-Q189 PolarHBondContact O-N 3.14Å; Q189-G191 VanDerWaalsContact C-N 3.33Å; Q189-G191 PolarHBondContact O-N 2.84Å; Q189-K192 PolarHBondContact O-N 3.12Å; Q189-C210 PolarHBondContact N-O 3.34Å; Q189-V212 HydrophobicContact CB-CG2 4.09Å; Q189-V212 HydrophobicContact CG-CG2 3.62Å
190K91.5Very high91.6Very high126 Ų12666.2 Ų66.255%0.54835%0.348SS..THydrogen-bonded Turntrans-60.8-41.4175.2-76.4179.1-176.7148.80112.4C188 D209 C210 S211 V212C188-K190 PolarHBondContact O-N 2.79Å; K190-D209 VanDerWaalsContact CD-O 3.31Å; K190-D209 WeakPolarHBondContact CD-O 3.39Å; K190-D209 PolarHBondContact NZ-O 2.86Å; K190-C210 PolarHBondContact N-O 2.98Å; K190-S211 WeakPolarHBondContact CE-O 3.5Å; K190-S211 PolarHBondContact NZ-O 2.84Å; K190-V212 HydrophobicContact CG-CG2 4.05Å
191G89.8Confident91.2Very high50 Ų5069.6 Ų69.652%0.51536%0.364SS..THydrogen-bonded Turntrans-84.9-12.8-179.200000114.7C188 Q189 K193C188-G191 CarbonylContact O-C 3.59Å; C188-G191 PolarHBondContact O-N 2.73Å; Q189-G191 VanDerWaalsContact C-N 3.33Å; Q189-G191 PolarHBondContact O-N 2.84Å; G191-K193 PolarHBondContact O-N 3.5Å
192K92.8Very high91.1Very high166 Ų16665.4 Ų65.472%0.72233%0.333SS*.THydrogen-bonded Turntrans4743.9-170.3-60.2-177.4178.9-178.50112.5W187 C188 Q189W187-K192 HydrophobicContact CZ2-CB 4.36Å; C188-K192 WeakPolarHBondContact O-CA 3.45Å; C188-K192 PolarHBondContact O-N 2.83Å; Q189-K192 PolarHBondContact O-N 3.12Å
193K93.5Very high91.1Very high88 Ų8861.5 Ų61.538%0.38331%0.31SS..EExtended strand (participates in β ladder)trans-143.9143.9-174-167.8165.7-178178.60110.3C188 G191C188-K193 VanDerWaalsContact CB-O 3.27Å; C188-K193 WeakPolarHBondContact CB-O 3.33Å; C188-K193 PolarHBondContact N-O 2.9Å; C188-K193 PolarHBondContact O-N 3.46Å; G191-K193 PolarHBondContact O-N 3.5Å
194C95.3Very high91Very high0 Ų062.4 Ų62.40%032%0.324CS..EExtended strand (participates in β ladder)trans-79.9130.8170.3-170.20000110.1C166 Y169 C175 W187C166-C194 WeakPolarHBondContact O-CB 3.34Å; C166-C194 PolarHBondContact O-SG 2.87Å; Y169-C194 VanDerWaalsContact O-CB 3.28Å; Y169-C194 WeakPolarHBondContact O-CB 3.49Å; C175-C194 WeakPolarHBondContact CA-SG 3.12Å; C175-C194 HydrophobicContact CB-CB 3.58Å; C175-C194 WeakPolarHBondContact CB-SG 3.29Å; C175-C194 VanDerWaalsContact SG-CA 3.51Å; C175-C194 WeakPolarHBondContact SG-CB 3Å; C175-C194 CovalentContact SG-SG 2.02Å; C175-C194 PolarHBondContact SG-SG 2.58Å; W187-C194 HydrophobicContact CE3-CB 4.09Å; W187-C194 HydrophobicContact CZ3-CB 4.31Å
195I94.1Very high90.7Very high29 Ų2963.1 Ų63.115%0.14933%0.326CS..EExtended strand (participates in β ladder)trans-122.8137.4-174.6-60.2-179.3000109.2F186 C188F186-I195 HydrophobicContact CD1-CB 4.29Å; F186-I195 WeakPolarHBondContact CD1-O 3.09Å; F186-I195 HydrophobicContact CE1-CB 3.72Å; F186-I195 HydrophobicContact CE1-CG2 3.8Å; F186-I195 HydrophobicContact CZ-CB 4.05Å; F186-I195 HydrophobicContact CZ-CD1 4.34Å; F186-I195 HydrophobicContact CZ-CG2 4.28Å; F186-I195 PolarHBondContact N-O 2.03Å; F186-I195 PolarHBondContact O-N 2.8Å; C188-I195 HydrophobicContact CB-CD1 3.55Å; C188-I195 HydrophobicContact CB-CG1 4.07Å
196E92.8Very high90.5Very high43 Ų4364 Ų6420%0.20133%0.329CS..EExtended strand (participates in β ladder)trans-78.3132.6171.6-167.2173.3139.600110.8G163 C166 M183 N198G163-E196 WeakPolarHBondContact CA-OE2 3.31Å; C166-E196 HydrophobicContact CB-CB 3.99Å; C166-E196 VanDerWaalsContact SG-CA 3.55Å; M183-E196 HydrophobicContact CG-CG 3.91Å; E196-N198 WeakPolarHBondContact CG-OD1 3.34Å; E196-N198 PolarHBondContact OE1-ND2 3.06Å
197S91Very high90.3Very high1 Ų165.2 Ų65.21%0.00734%0.338CS..  trans-14662.2-169.5-165.20000111.1T184 H203 K206T184-S197 WeakPolarHBondContact CB-O 3.35Å; T184-S197 PolarHBondContact O-N 3.34Å; S197-H203 WeakPolarHBondContact CB-ND1 3.35Å; S197-H203 PolarHBondContact O-ND1 3.49Å; S197-H203 WeakPolarHBondContact OG-CA 3.42Å; S197-H203 PolarHBondContact OG-ND1 2.79Å; S197-H203 VanDerWaalsContact OG-ND1 3.15Å; S197-K206 WeakPolarHBondContact OG-CD 3.33Å
198N86.2Confident90.1Very high71 Ų7168.6 Ų68.638%0.3836%0.359SS..  trans-78.8-24-173.9-55.5-22.3000113.3M183 T184 E196 Q200M183-N198 VanDerWaalsContact CA-OD1 3.29Å; M183-N198 WeakPolarHBondContact CA-OD1 3.33Å; T184-N198 PolarHBondContact N-OD1 3.3Å; E196-N198 WeakPolarHBondContact CG-OD1 3.34Å; E196-N198 PolarHBondContact OE1-ND2 3.06Å; N198-Q200 PolarHBondContact O-N 3.09Å
199D84.3Confident89.8Confident62 Ų6271.5 Ų71.533%0.33237%0.374SS..  trans-75.8108.5175172.912.2000110.2N201 T202 H203D199-N201 PolarHBondContact O-N 3.01Å; D199-N201 WeakPolarHBondContact OD1-CB 3.35Å; D199-N201 PolarHBondContact OD1-N 3.14Å; D199-T202 WeakPolarHBondContact CB-OG1 3.44Å; D199-T202 VanDerWaalsContact CG-OG1 3.22Å; D199-T202 PolarHBondContact O-N 2.84Å; D199-T202 PolarHBondContact O-OG1 3.47Å; D199-T202 WeakPolarHBondContact OD2-CG2 3.3Å; D199-T202 PolarHBondContact OD2-OG1 3.14Å; D199-H203 WeakPolarHBondContact O-CB 3.49Å; D199-H203 PolarHBondContact O-N 3.03Å
200Q84.2Confident89.7Confident178 Ų17867.4 Ų67.483%0.83236%0.356SS*.Hα-helixtrans-60.3-30.6-179.4-66.1-172.1-12.600112.8N198 T202N198-Q200 PolarHBondContact O-N 3.09Å; Q200-T202 VanDerWaalsContact C-N 3.33Å; Q200-T202 PolarHBondContact O-N 3.42Å
201N85Confident89.5Confident150 Ų15064 Ų6480%0.80235%0.348SS*.Hα-helixtrans-72.1-30-179.1-61.5-44.6000111.9D199D199-N201 PolarHBondContact O-N 3.01Å; D199-N201 WeakPolarHBondContact OD1-CB 3.35Å; D199-N201 PolarHBondContact OD1-N 3.14Å
202T85.3Confident89.1Confident31 Ų3165.5 Ų65.519%0.1935%0.347CS..Hα-helixtrans-102.6-7.9179.8580000113.3D199 Q200 L205 K206D199-T202 WeakPolarHBondContact CB-OG1 3.44Å; D199-T202 VanDerWaalsContact CG-OG1 3.22Å; D199-T202 PolarHBondContact O-N 2.84Å; D199-T202 PolarHBondContact O-OG1 3.47Å; D199-T202 WeakPolarHBondContact OD2-CG2 3.3Å; D199-T202 PolarHBondContact OD2-OG1 3.14Å; Q200-T202 VanDerWaalsContact C-N 3.33Å; Q200-T202 PolarHBondContact O-N 3.42Å; T202-L205 WeakPolarHBondContact O-CB 3.21Å; T202-L205 PolarHBondContact O-N 3.03Å; T202-K206 WeakPolarHBondContact O-CG 3.42Å; T202-K206 PolarHBondContact O-N 3.34Å
203H89.6Confident88.4Confident57 Ų5764.6 Ų64.626%0.26435%0.345SS..Hα-helixtrans-56.4-58.3-176.3179.784.8000113.4S197 D199 L205 K206 V207S197-H203 WeakPolarHBondContact CB-ND1 3.35Å; S197-H203 PolarHBondContact O-ND1 3.49Å; S197-H203 WeakPolarHBondContact OG-CA 3.42Å; S197-H203 PolarHBondContact OG-ND1 2.79Å; S197-H203 VanDerWaalsContact OG-ND1 3.15Å; D199-H203 WeakPolarHBondContact O-CB 3.49Å; D199-H203 PolarHBondContact O-N 3.03Å; H203-L205 PolarHBondContact O-N 2.99Å; H203-K206 PolarHBondContact O-N 3.24Å; H203-V207 WeakPolarHBondContact O-CG2 3.39Å; H203-V207 PolarHBondContact O-N 2.97Å
204G89.3Confident87.4Confident38 Ų3870 Ų7039%0.39237%0.369SS..Hα-helixtrans-61.3-33.5-178.100000112.6V207 N208G204-V207 PolarHBondContact O-N 2.75Å; G204-N208 PolarHBondContact O-N 3.24Å; G204-N208 PolarHBondContact O-ND2 3.06Å
205L87.3Confident85.9Confident64 Ų6479.3 Ų79.334%0.33541%0.405SS..Hα-helixtrans-66.7-45.5178.2-168.655.6000112T202 H203 V207 N208 D209T202-L205 WeakPolarHBondContact O-CB 3.21Å; T202-L205 PolarHBondContact O-N 3.03Å; H203-L205 PolarHBondContact O-N 2.99Å; L205-V207 VanDerWaalsContact C-N 3.34Å; L205-V207 PolarHBondContact O-N 2.78Å; L205-N208 PolarHBondContact O-N 3.02Å; L205-D209 VanDerWaalsContact O-CG 3.3Å; L205-D209 PolarHBondContact O-N 3.38Å
206K90.1Very high83.9Confident23 Ų2382.6 Ų82.610%0.143%0.431CS..Hα-helixtrans-61.4-41.3174-71.9171.7176.6176.50111.9E160 F186 S197 T202 H203 D209 C210E160-K206 IonicContact OE1-NZ 2.57Å; E160-K206 PolarHBondContact OE1-NZ 3.49Å; E160-K206 WeakPolarHBondContact OE2-CE 3.46Å; E160-K206 IonicContact OE2-NZ 3.29Å; E160-K206 PolarHBondContact OE2-NZ 3.42Å; F186-K206 HydrophobicContact CE1-CB 3.98Å; F186-K206 HydrophobicContact CZ-CB 3.76Å; S197-K206 WeakPolarHBondContact OG-CD 3.33Å; T202-K206 WeakPolarHBondContact O-CG 3.42Å; T202-K206 PolarHBondContact O-N 3.34Å; H203-K206 PolarHBondContact O-N 3.24Å; K206-D209 PolarHBondContact O-N 3.1Å; K206-C210 WeakPolarHBondContact O-CB 3.31Å; K206-C210 PolarHBondContact O-N 3.16Å; K206-C210 VanDerWaalsContact O-N 3.12Å
207V90.8Very high81.6Confident44 Ų4487.6 Ų87.627%0.26746%0.459SS..Hα-helixtrans-61.6-46.2177172.40000111.1F186 H203 G204 L205 C210 S211F186-V207 HydrophobicContact CB-CG2 4.44Å; F186-V207 HydrophobicContact CD1-CG2 4.49Å; F186-V207 HydrophobicContact CD2-CG2 3.73Å; F186-V207 HydrophobicContact CE2-CG2 4.08Å; F186-V207 HydrophobicContact CG-CG2 3.96Å; H203-V207 WeakPolarHBondContact O-CG2 3.39Å; H203-V207 PolarHBondContact O-N 2.97Å; G204-V207 PolarHBondContact O-N 2.75Å; L205-V207 VanDerWaalsContact C-N 3.34Å; L205-V207 PolarHBondContact O-N 2.78Å; V207-C210 PolarHBondContact O-N 2.67Å; V207-S211 PolarHBondContact O-N 3.01Å; V207-S211 VanDerWaalsContact O-N 3.09Å; V207-S211 PolarHBondContact O-OG 2.83Å
208N89.8Confident79.3Confident110 Ų11093.5 Ų93.559%0.58850%0.495SS*.Hα-helixtrans-63.4-46178.5-70.2-18.4000111.7G204 L205 C210 S211G204-N208 PolarHBondContact O-N 3.24Å; G204-N208 PolarHBondContact O-ND2 3.06Å; L205-N208 PolarHBondContact O-N 3.02Å; N208-C210 PolarHBondContact O-N 3.14Å; N208-S211 WeakPolarHBondContact O-CB 3.28Å; N208-S211 PolarHBondContact O-N 3.09Å; N208-S211 VanDerWaalsContact O-N 3.1Å
209D88.7Confident77.1Confident69 Ų6996.5 Ų96.537%0.36951%0.511SS..Hα-helixtrans-59.9-34.3179.1-73-14.2000112.2R2 K190 L205 K206R2-D209 WeakPolarHBondContact CD-OD2 3.49Å; R2-D209 IonicContact CZ-OD2 2.74Å; R2-D209 IonicContact NE-OD2 3.86Å; R2-D209 PolarHBondContact NE-OD2 3.31Å; R2-D209 IonicContact NH2-OD2 2.66Å; K190-D209 VanDerWaalsContact CD-O 3.31Å; K190-D209 WeakPolarHBondContact CD-O 3.39Å; K190-D209 PolarHBondContact NZ-O 2.86Å; L205-D209 VanDerWaalsContact O-CG 3.3Å; L205-D209 PolarHBondContact O-N 3.38Å; K206-D209 PolarHBondContact O-N 3.1Å
210C91.2Very high74.8Confident15 Ų15101.2 Ų101.210%0.10154%0.536CS..Hα-helixtrans-84.2-12.5179.5-86.50000115.3F186 C188 Q189 K190 K206 V207 N208F186-C210 HydrophobicContact CE2-CB 3.85Å; F186-C210 HydrophobicContact CZ-CB 4.48Å; C188-C210 HydrophobicContact CB-CB 3.69Å; C188-C210 WeakPolarHBondContact CB-SG 3.36Å; C188-C210 WeakPolarHBondContact SG-CB 3.44Å; C188-C210 CovalentContact SG-SG 2.03Å; C188-C210 PolarHBondContact SG-SG 3.34Å; Q189-C210 PolarHBondContact N-O 3.34Å; K190-C210 PolarHBondContact N-O 2.98Å; K206-C210 WeakPolarHBondContact O-CB 3.31Å; K206-C210 PolarHBondContact O-N 3.16Å; K206-C210 VanDerWaalsContact O-N 3.12Å; V207-C210 PolarHBondContact O-N 2.67Å; N208-C210 PolarHBondContact O-N 3.14Å
211S87.6Confident72.4Confident54 Ų54101 Ų10138%0.37854%0.54SS..SBendtrans-75.5136.4-178.7-67.50000110.6K190 V207 N208K190-S211 WeakPolarHBondContact CE-O 3.5Å; K190-S211 PolarHBondContact NZ-O 2.84Å; V207-S211 PolarHBondContact O-N 3.01Å; V207-S211 VanDerWaalsContact O-N 3.09Å; V207-S211 PolarHBondContact O-OG 2.83Å; N208-S211 WeakPolarHBondContact O-CB 3.28Å; N208-S211 PolarHBondContact O-N 3.09Å; N208-S211 VanDerWaalsContact O-N 3.1Å
212V82.4Confident69.9Low82 Ų82101.4 Ų101.450%0.49754%0.542SS..  trans-79129.1170-179.20000107Q189 K190 K214Q189-V212 HydrophobicContact CB-CG2 4.09Å; Q189-V212 HydrophobicContact CG-CG2 3.62Å; K190-V212 HydrophobicContact CG-CG2 4.05Å; V212-K214 PolarHBondContact O-N 2.9Å
213E78Confident67.3Low147 Ų147104.8 Ų104.869%0.68757%0.567SS**  trans-56.5111.5169.1-73.4177-167.400107.8Y215E213-Y215 PolarHBondContact O-N 2.93Å
214K71.9Confident64.4Low201 Ų201107.3 Ų107.387%0.87459%0.591SS**  trans-70.1104.5167.6-72.1-176.3-179.11790105.2V212 S216V212-K214 PolarHBondContact O-N 2.9Å; K214-S216 VanDerWaalsContact C-N 3.26Å; K214-S216 PolarHBondContact O-N 2.79Å
215Y63.2Low61.6Low196 Ų196111.1 Ų111.177%0.76961%0.607SS**  trans-56.4104.6154.8-68.6-78.6000105.4E213 N217E213-Y215 PolarHBondContact O-N 2.93Å; Y215-N217 PolarHBondContact O-N 2.81Å
216S52.9Low58.5Low98 Ų98113.1 Ų113.169%0.68562%0.622SS**  trans-59.899.4165.543.90000105.7K214 V218K214-S216 VanDerWaalsContact C-N 3.26Å; K214-S216 PolarHBondContact O-N 2.79Å; S216-V218 PolarHBondContact O-N 3.49Å
217N45.5Very low55.4Low148 Ų148120.5 Ų120.579%0.79166%0.659SS**  trans-59.397.7158.2-87.9-12.2000105.1Y215 N219Y215-N217 PolarHBondContact O-N 2.81Å; N217-N219 PolarHBondContact O-N 2.98Å
218V41.4Very low52.1Low125 Ų125126.8 Ų126.876%0.75869%0.685SS**SBendtrans-62.690.3158.6178.80000104.5S216S216-V218 PolarHBondContact O-N 3.49Å
219N39.8Very low49.1Very low134 Ų134130 Ų13072%0.71770%0.697SS**  trans166.885.5157.9-83.6-10.7000106.5N217N217-N219 PolarHBondContact O-N 2.98Å
220D35.7Very low46Very low162 Ų162130.7 Ų130.787%0.86671%0.707SS**  trans-169.554.8135.9-83.4-23.3000107.9N222D220-N222 PolarHBondContact O-N 2.8Å; D220-N222 VanDerWaalsContact O-N 3.12Å
221L35.1Very low43.1Very low172 Ų172139.6 Ų139.690%0.90175%0.747SS**  trans-71.288144.5-99.8114.3000105.3
222N32.5Very low40.1Very low160 Ų160143.2 Ų143.286%0.85677%0.766SS**  trans-179.771.4150.5-93.2-0.1000109.6D220D220-N222 PolarHBondContact O-N 2.8Å; D220-N222 VanDerWaalsContact O-N 3.12Å
223S31.4Very low37.2Very low102 Ų102145.1 Ų145.171%0.71378%0.778SS**  trans-155.276.3151.4-176.10000108T225S223-T225 PolarHBondContact O-N 2.84Å
224S27.9Very low34.9Very low110 Ų110144 Ų14477%0.76979%0.787SS**  trans-57.1112159.3160.70000107.8
225T29.8Very low32.5Very low117 Ų117137.4 Ų137.472%0.71878%0.776SS**  trans-137.789.6157.5-42.20000108.8S223 M227S223-T225 PolarHBondContact O-N 2.84Å; T225-M227 PolarHBondContact O-N 2.84Å
226T21.9Very low30.8Very low106 Ų106136 Ų13665%0.6578%0.78SS**  trans-41.3123.5158-51.70000111.5
227M26.7Very low29.6Very low179 Ų179137.3 Ų137.388%0.88278%0.784SS**  trans-148.995.5144.8-76.4-54.2-77.100107.6T225T225-M227 PolarHBondContact O-N 2.84Å
228E21.4Very low28.5Very low176 Ų176137.4 Ų137.482%0.82278%0.78SS**  trans-91.9114.6172.6-167.8178.7-154.800107.1
229H26.7Very low27.7Very low178 Ų178137.8 Ų137.882%0.82478%0.782SS**  trans-141.794.9164.3-136.830.5000110.7
230S22.9Very low26.9Very low83 Ų83138.6 Ų138.658%0.5878%0.782SS**  trans29.8110134.955.70000118.4
231E29.6Very low26.4Very low202 Ų202137.3 Ų137.394%0.94478%0.779SS**  trans-128.6147.2138.4-88.1-169.9164.300111.1
232T24.9Very low25.9Very low129 Ų129133.3 Ų133.379%0.79177%0.766SS**  trans-89134.8-156.9-65.80000112.8
233T21.7Very low25.4Very low122 Ų122133.6 Ų133.675%0.74876%0.762SS**  trans22.5114.2140.5-47.60000119.9
234S29.4Very low25.2Very low124 Ų124136.8 Ų136.887%0.86777%0.771SS**  161126.2129.9-75.30000106.7
235G23.1Very low24.9Very low63 Ų63138.6 Ų138.665%0.64977%0.771SS**  cis153.3126.38.600000105.9
236I26.3Very low24.7Very low166 Ų166141.3 Ų141.385%0.85178%0.778SS**  trans73120.2161.3-44.7162.2000113.4
237T27.5Very low24.6Very low125 Ų125144.6 Ų144.677%0.76778%0.783SS**  cis-153136.144.7-34.80000110.6
238E22.4Very low24.6Very low151 Ų151141.9 Ų141.971%0.70678%0.777SS**  trans-56.4129.7163.8-85.1174.8121.600112Q240E238-Q240 PolarHBondContact OE1-NE2 2.66Å
239V26Very low24.7Very low133 Ų133138.6 Ų138.681%0.80677%0.769SS**  trans-124.995.6142.8177.80000106.2V241V239-V241 HydrophobicContact CG1-CG2 4.42Å; V239-V241 PolarHBondContact O-N 3.22Å
240Q21.6Very low24.5Very low150 Ų150138 Ų13870%0.70177%0.766SS**  trans-70.5120.5166.9-62.5-157.2-2.400108.8E238E238-Q240 PolarHBondContact OE1-NE2 2.66Å
241V25.9Very low24.8Very low135 Ų135143.7 Ų143.782%0.81878%0.784SS**  trans-120.696.4150.6-179.70000106V239V239-V241 HydrophobicContact CG1-CG2 4.42Å; V239-V241 PolarHBondContact O-N 3.22Å
242S23.8Very low24.5Very low88 Ų88138.7 Ų138.762%0.61577%0.768SS**  trans-57.7130.3169.649.40000111.3
243E23Very low24.8Very low167 Ų167140.8 Ų140.878%0.7877%0.774SS**  57.6109.5118.1-146.4167.7-149.900117.5
244N27.5Very low24.9Very low168 Ų168143.5 Ų143.590%0.89878%0.775SS**  -158.189.9129.8-89.7-33.6000109.9M246N244-M246 PolarHBondContact O-N 3.32Å
245L21Very low24.9Very low148 Ų148144.4 Ų144.478%0.77577%0.766SS**  trans-65105.1161.8178.578.5000108.7K247L245-K247 PolarHBondContact O-N 3.1Å
246M24.4Very low25.1Very low175 Ų175146.6 Ų146.686%0.86277%0.771SS**  trans-95.491.2164.5-155.5165.5159.400108.3N244N244-M246 PolarHBondContact O-N 3.32Å
247K21.1Very low25.3Very low174 Ų174147.4 Ų147.476%0.75777%0.765SS**  trans-69.8117.3165.8-119.8177.1179.1178.40107.3L245L245-K247 PolarHBondContact O-N 3.1Å
248T26.1Very low25.3Very low123 Ų123149.1 Ų149.176%0.75577%0.766SS**  trans-114.7119.9157.3-51.30000108
249T24Very low25.7Very low106 Ų106147.9 Ų147.965%0.6577%0.769SS**  trans-65.5143.7-175.1-48.30000111.7
250E22.6Very low26Very low165 Ų165147.5 Ų147.577%0.77177%0.767SS**  trans16.3122.1150.9-56.7169.5143.300118.2
251E28.1Very low26.7Very low203 Ų203147.9 Ų147.995%0.94976%0.762SS**  -144.2136.3115.7-125.1173.7-170.400110.6
252T23.6Very low27.3Very low98 Ų98146 Ų14660%0.60175%0.751SS**  trans-93.2117.1-169.6-57.10000107.4K254T252-K254 HydrophobicContact CG2-CG 4.19Å
253D31.4Very low28Very low172 Ų172148 Ų14892%0.9276%0.76SS**  trans-131.897.8152.5-96.7-28.4000109.7Q255D253-Q255 PolarHBondContact O-N 2.8Å
254K24.9Very low28.9Very low179 Ų179146 Ų14678%0.77875%0.75SS**  trans-68.7113.1167.3-72.6172.8175.4174.80108T252T252-K254 HydrophobicContact CG2-CG 4.19Å
255Q28.7Very low29.7Very low144 Ų144143.8 Ų143.867%0.67373%0.734SS**  trans-134.884.4148.4-151.892.223.900109.6D253 Y257D253-Q255 PolarHBondContact O-N 2.8Å; Q255-Y257 HydrophobicContact CG-CD2 3.52Å; Q255-Y257 HydrophobicContact CG-CE2 3.18Å; Q255-Y257 PolarHBondContact NE2-OH 2.82Å; Q255-Y257 PolarHBondContact O-N 3.09Å
256S26.2Very low31Very low108 Ų108142.9 Ų142.976%0.75573%0.73SS**  trans-60.3115162.255.30000109.7
257Y31.3Very low32.2Very low184 Ų184142.7 Ų142.772%0.72273%0.725SS**  trans-136114.2156.9-73.1-62.6000112Q255Q255-Y257 HydrophobicContact CG-CD2 3.52Å; Q255-Y257 HydrophobicContact CG-CE2 3.18Å; Q255-Y257 PolarHBondContact NE2-OH 2.82Å; Q255-Y257 PolarHBondContact O-N 3.09Å
258M27.2Very low33.7Very low160 Ų160139.3 Ų139.379%0.78871%0.711SS**  trans48.790150.4-79.8-141.5-99.300119.2
259T30.6Very low35.3Very low126 Ų126140.3 Ų140.377%0.77371%0.707SS**  trans-10482.1146.2-61.10000108.7
260T33.1Very low37.2Very low124 Ų124142.7 Ų142.776%0.76171%0.709SS**  trans-150.326163.2-28.70000113.6
261R36.4Very low39.6Very low159 Ų159138 Ų13860%0.669%0.694SS**  trans-124.311.6179.8-102.9-175.8113.8101.41.9117.1
262T37.2Very low41.7Very low96 Ų96132.1 Ų132.159%0.58967%0.666SS**THydrogen-bonded Turntrans-88.6-11.1-176.91.30000115.3
263T39Very low44.2Very low130 Ų130134.9 Ų134.980%0.79867%0.666SS**THydrogen-bonded Turntrans-88-19.5177.2-330000112.8
264E43.5Very low46.5Very low125 Ų125133.6 Ų133.658%0.58465%0.649SS**THydrogen-bonded Turntrans-90.3-32.8-176.3-131160.9-163.600113N266 K267 Q268E264-N266 VanDerWaalsContact C-N 3.33Å; E264-N266 PolarHBondContact O-N 2.82Å; E264-K267 PolarHBondContact O-N 3.01Å; E264-Q268 PolarHBondContact O-N 3.36Å; E264-Q268 VanDerWaalsContact O-N 3.13Å
265E44.1Very low49.3Very low120 Ų120129.4 Ų129.456%0.56164%0.635SS**Hα-helixtrans-61.9-36.3179.9-74.8-174.6157.900113.4K267 Q268 H269E265-K267 VanDerWaalsContact C-N 3.32Å; E265-K267 PolarHBondContact O-N 2.79Å; E265-Q268 PolarHBondContact O-N 2.78Å; E265-H269 PolarHBondContact O-N 2.82Å
266N47.4Very low52Low129 Ų129130.6 Ų130.669%0.6963%0.634SS**Hα-helixtrans-68.9-28.3179.2-86.9-33.9000113.4E264E264-N266 VanDerWaalsContact C-N 3.33Å; E264-N266 PolarHBondContact O-N 2.82Å
267K49.2Very low54.8Low172 Ų172128.6 Ų128.675%0.74862%0.617SS**Hα-helixtrans-75.7-38.2170.7-83.6-176.2177.4177.80111E264 E265 S271E264-K267 PolarHBondContact O-N 3.01Å; E265-K267 VanDerWaalsContact C-N 3.32Å; E265-K267 PolarHBondContact O-N 2.79Å; K267-S271 WeakPolarHBondContact O-CB 2.96Å; K267-S271 PolarHBondContact O-N 3.1Å; K267-S271 VanDerWaalsContact O-N 3.09Å
268Q52.5Low57.5Low102 Ų102121.8 Ų121.848%0.47760%0.595SS.*Hα-helixtrans-65.5-45.2179.7-170.3165.24.900111.8E264 E265 K270 S271 H272E264-Q268 PolarHBondContact O-N 3.36Å; E264-Q268 VanDerWaalsContact O-N 3.13Å; E265-Q268 PolarHBondContact O-N 2.78Å; Q268-K270 PolarHBondContact O-N 3.29Å; Q268-S271 WeakPolarHBondContact O-CB 3.1Å; Q268-S271 PolarHBondContact O-N 3.06Å; Q268-S271 VanDerWaalsContact O-N 3.14Å; Q268-H272 PolarHBondContact NE2-NE2 2.99Å; Q268-H272 PolarHBondContact O-CD2 3.22Å; Q268-H272 PolarHBondContact O-N 2.81Å
269H59.8Low60.4Low144 Ų144118.2 Ų118.267%0.66758%0.578SS**Hα-helixtrans-63.9-39.4179.6-166.6-86.6000112.9E265 W273E265-H269 PolarHBondContact O-N 2.82Å; H269-W273 WeakPolarHBondContact O-CB 3.47Å; H269-W273 PolarHBondContact O-N 3.4Å
270K65Low63.3Low157 Ų157115.5 Ų115.568%0.68356%0.563SS**Hα-helixtrans-64.5-38.8172.9-89.8-174.3176.8-178.90112.5Q268 Y274Q268-K270 PolarHBondContact O-N 3.29Å; K270-Y274 WeakPolarHBondContact O-CB 3.34Å; K270-Y274 PolarHBondContact O-N 2.89Å; K270-Y274 VanDerWaalsContact O-N 3.14Å
271S71.4Confident66.1Low66 Ų66114.5 Ų114.546%0.46255%0.552SS.*Hα-helixtrans-65.3-45.8177.8-171.60000111.9K267 Q268 Y274 L275K267-S271 WeakPolarHBondContact O-CB 2.96Å; K267-S271 PolarHBondContact O-N 3.1Å; K267-S271 VanDerWaalsContact O-N 3.09Å; Q268-S271 WeakPolarHBondContact O-CB 3.1Å; Q268-S271 PolarHBondContact O-N 3.06Å; Q268-S271 VanDerWaalsContact O-N 3.14Å; S271-Y274 PolarHBondContact O-N 3.19Å; S271-L275 PolarHBondContact O-N 3.18Å
272H72.4Confident68.8Low79 Ų79110.1 Ų110.137%0.36654%0.543SS..Hα-helixtrans-66-41.5177.7-76.9-77.6000112.3Q268 Y274 L275 Y276Q268-H272 PolarHBondContact NE2-NE2 2.99Å; Q268-H272 PolarHBondContact O-CD2 3.22Å; Q268-H272 PolarHBondContact O-N 2.81Å; H272-Y274 VanDerWaalsContact C-N 3.3Å; H272-Y274 PolarHBondContact O-N 3.32Å; H272-L275 PolarHBondContact O-N 3.19Å; H272-Y276 HydrophobicContact CB-CD2 4.22Å; H272-Y276 HydrophobicContact CB-CE2 4.2Å; H272-Y276 AromaticContact ND1-CE2 3.57Å; H272-Y276 WeakPolarHBondContact O-CD2 3.45Å; H272-Y276 PolarHBondContact O-N 2.95Å
273W77.6Confident71.4Confident156 Ų156107.7 Ų107.759%0.59153%0.533SS*.Hα-helixtrans-58.8-42.2175.4175.151.5000112.1H269 V277H269-W273 WeakPolarHBondContact O-CB 3.47Å; H269-W273 PolarHBondContact O-N 3.4Å; W273-V277 WeakPolarHBondContact O-CB 3.42Å; W273-V277 PolarHBondContact O-N 3.13Å
274Y79Confident74Confident145 Ų145103.9 Ų103.957%0.56951%0.511SS*.Iπ-helixtrans-64.3-43.9176.5-166.5-93.6000112.1K270 S271 H272 V278 I279K270-Y274 WeakPolarHBondContact O-CB 3.34Å; K270-Y274 PolarHBondContact O-N 2.89Å; K270-Y274 VanDerWaalsContact O-N 3.14Å; S271-Y274 PolarHBondContact O-N 3.19Å; H272-Y274 VanDerWaalsContact C-N 3.3Å; H272-Y274 PolarHBondContact O-N 3.32Å; Y274-V278 HydrophobicContact CD2-CB 4.07Å; Y274-V278 HydrophobicContact CD2-CG1 4.32Å; Y274-V278 HydrophobicContact CD2-CG2 3.79Å; Y274-V278 HydrophobicContact CE2-CB 4.15Å; Y274-V278 HydrophobicContact CE2-CG1 3.9Å; Y274-V278 HydrophobicContact CE2-CG2 4.15Å; Y274-V278 HydrophobicContact CG-CB 4.38Å; Y274-V278 HydrophobicContact CG-CG2 4.35Å; Y274-V278 WeakPolarHBondContact O-CB 3.15Å; Y274-V278 PolarHBondContact O-N 3.36Å; Y274-I279 PolarHBondContact O-N 2.91Å
275L83.1Confident76.4Confident91 Ų91103 Ų10348%0.47651%0.51SS..Iπ-helixtrans-62.8-42.3178.3-92.8151.6000113.3S271 H272 I279S271-L275 PolarHBondContact O-N 3.18Å; H272-L275 PolarHBondContact O-N 3.19Å; L275-I279 HydrophobicContact CD2-CD1 3.79Å; L275-I279 HydrophobicContact CG-CD1 4.32Å
276Y87Confident78.8Confident169 Ų169103.9 Ų103.966%0.66351%0.512SS*.Iπ-helixtrans-93.7-22.2-172.4-67-65.5000115.1H272 P280H272-Y276 HydrophobicContact CB-CD2 4.22Å; H272-Y276 HydrophobicContact CB-CE2 4.2Å; H272-Y276 AromaticContact ND1-CE2 3.57Å; H272-Y276 WeakPolarHBondContact O-CD2 3.45Å; H272-Y276 PolarHBondContact O-N 2.95Å; Y276-P280 WeakPolarHBondContact O-CD 3.28Å; Y276-P280 WeakPolarHBondContact O-CG 3.43Å
277V84.4Confident81Confident66 Ų66103.8 Ų103.840%0.451%0.511SS..Iπ-helixtrans-107.5-46.3-177.6-176.70000111.6W273 L281W273-V277 WeakPolarHBondContact O-CB 3.42Å; W273-V277 PolarHBondContact O-N 3.13Å; V277-L281 HydrophobicContact CG1-CD1 4.09Å; V277-L281 WeakPolarHBondContact O-CD1 3.34Å; V277-L281 WeakPolarHBondContact O-CG 3.29Å; V277-L281 PolarHBondContact O-N 3.15Å
278V86.7Confident83.2Confident41 Ų41100.5 Ų100.525%0.24850%0.501CS..Iπ-helixtrans-77.1-43.7-172.2-176.20000111.5Y274 L281 V282Y274-V278 HydrophobicContact CD2-CB 4.07Å; Y274-V278 HydrophobicContact CD2-CG1 4.32Å; Y274-V278 HydrophobicContact CD2-CG2 3.79Å; Y274-V278 HydrophobicContact CE2-CB 4.15Å; Y274-V278 HydrophobicContact CE2-CG1 3.9Å; Y274-V278 HydrophobicContact CE2-CG2 4.15Å; Y274-V278 HydrophobicContact CG-CB 4.38Å; Y274-V278 HydrophobicContact CG-CG2 4.35Å; Y274-V278 WeakPolarHBondContact O-CB 3.15Å; Y274-V278 PolarHBondContact O-N 3.36Å; V278-L281 PolarHBondContact O-N 2.86Å; V278-V282 HydrophobicContact CG1-CG2 4.27Å; V278-V282 WeakPolarHBondContact O-CG2 3.32Å; V278-V282 PolarHBondContact O-N 3.49Å
279I88.8Confident85.1Confident85 Ų8598.9 Ų98.944%0.43650%0.5SS..Hα-helixtrans-62.1-46.8-178.7-60177.3000112.3Y274 L275 L281 V282 A283Y274-I279 PolarHBondContact O-N 2.91Å; L275-I279 HydrophobicContact CD2-CD1 3.79Å; L275-I279 HydrophobicContact CG-CD1 4.32Å; I279-L281 PolarHBondContact O-N 3.24Å; I279-V282 PolarHBondContact O-N 2.68Å; I279-A283 WeakPolarHBondContact O-CB 3.36Å; I279-A283 PolarHBondContact O-N 2.78Å
280P92.2Very high86.8Confident70 Ų7096.4 Ų96.446%0.45549%0.491SS..Hα-helixtrans-65.4-36.3178.3-25.738.4000113.6Y276 A283 S284Y276-P280 WeakPolarHBondContact O-CD 3.28Å; Y276-P280 WeakPolarHBondContact O-CG 3.43Å; P280-A283 PolarHBondContact O-N 3.12Å; P280-S284 WeakPolarHBondContact O-CB 3.33Å; P280-S284 PolarHBondContact O-N 2.99Å
281L92.2Very high88.1Confident102 Ų10290.8 Ų90.853%0.53448%0.477SS..Hα-helixtrans-61.9-47.4175.3-82.5168.3000111.3V277 V278 I279 S284 L285V277-L281 HydrophobicContact CG1-CD1 4.09Å; V277-L281 WeakPolarHBondContact O-CD1 3.34Å; V277-L281 WeakPolarHBondContact O-CG 3.29Å; V277-L281 PolarHBondContact O-N 3.15Å; V278-L281 PolarHBondContact O-N 2.86Å; I279-L281 PolarHBondContact O-N 3.24Å; L281-S284 PolarHBondContact O-N 2.86Å; L281-S284 PolarHBondContact O-OG 2.83Å; L281-L285 PolarHBondContact O-N 3.38Å; L281-L285 VanDerWaalsContact O-N 3.07Å
282V92.3Very high89.1Confident67 Ų6790.9 Ų90.941%0.40648%0.477SS..Hα-helixtrans-63.2-43.9177.4173.30000110.7V278 I279 S284 L285 F286V278-V282 HydrophobicContact CG1-CG2 4.27Å; V278-V282 WeakPolarHBondContact O-CG2 3.32Å; V278-V282 PolarHBondContact O-N 3.49Å; I279-V282 PolarHBondContact O-N 2.68Å; V282-S284 VanDerWaalsContact C-N 3.33Å; V282-S284 PolarHBondContact O-N 3.09Å; V282-L285 PolarHBondContact O-N 3.11Å; V282-F286 HydrophobicContact CG1-CD2 3.71Å; V282-F286 HydrophobicContact CG1-CE2 3.43Å; V282-F286 VanDerWaalsContact CG1-CE2 3.43Å; V282-F286 WeakPolarHBondContact O-CD2 3.31Å; V282-F286 PolarHBondContact O-N 3.2Å
283A92.4Very high90.1Very high46 Ų4692.6 Ų92.638%0.3849%0.488SS..Hα-helixtrans-60.6-40.5175.700000112.5I279 P280 F286 L287I279-A283 WeakPolarHBondContact O-CB 3.36Å; I279-A283 PolarHBondContact O-N 2.78Å; P280-A283 PolarHBondContact O-N 3.12Å; A283-F286 PolarHBondContact O-N 3.42Å; A283-L287 WeakPolarHBondContact O-CG 3.5Å; A283-L287 PolarHBondContact O-N 2.7Å
284S92.8Very high90.8Very high49 Ų4989.6 Ų89.634%0.34348%0.482SS..Hα-helixtrans-63.8-40.9177.175.90000112.4P280 L281 V282 L287 I288P280-S284 WeakPolarHBondContact O-CB 3.33Å; P280-S284 PolarHBondContact O-N 2.99Å; L281-S284 PolarHBondContact O-N 2.86Å; L281-S284 PolarHBondContact O-OG 2.83Å; V282-S284 VanDerWaalsContact C-N 3.33Å; V282-S284 PolarHBondContact O-N 3.09Å; S284-L287 PolarHBondContact O-N 2.85Å; S284-I288 VanDerWaalsContact O-CG1 3.26Å; S284-I288 WeakPolarHBondContact O-CG1 3.29Å; S284-I288 PolarHBondContact O-N 3.44Å
285L94.1Very high91.4Very high107 Ų10791.2 Ų91.256%0.5649%0.488SS*.Hα-helixtrans-62.6-42.6174.9-79.4159.8000111.6L281 V282 I288 C289L281-L285 PolarHBondContact O-N 3.38Å; L281-L285 VanDerWaalsContact O-N 3.07Å; V282-L285 PolarHBondContact O-N 3.11Å; L285-I288 PolarHBondContact O-N 3.31Å; L285-C289 WeakPolarHBondContact O-CB 3.12Å; L285-C289 PolarHBondContact O-N 2.84Å; L285-C289 PolarHBondContact O-SG 3.04Å
286F93.9Very high91.7Very high139 Ų13995.9 Ų95.961%0.6150%0.499SS*.Hα-helixtrans-62.9-42.2175.6-81.7-68.5000112.4V282 A283 I288 C289 I290V282-F286 HydrophobicContact CG1-CD2 3.71Å; V282-F286 HydrophobicContact CG1-CE2 3.43Å; V282-F286 VanDerWaalsContact CG1-CE2 3.43Å; V282-F286 WeakPolarHBondContact O-CD2 3.31Å; V282-F286 PolarHBondContact O-N 3.2Å; A283-F286 PolarHBondContact O-N 3.42Å; F286-I288 PolarHBondContact O-N 2.92Å; F286-C289 PolarHBondContact O-N 2.97Å; F286-I290 VanDerWaalsContact O-CG1 3.25Å; F286-I290 WeakPolarHBondContact O-CG1 3.38Å; F286-I290 PolarHBondContact O-N 3.14Å
287L94.3Very high91.8Very high126 Ų12695.2 Ų95.266%0.6650%0.495SS*.Hα-helixtrans-63.6-40.5176.7-70.1173000112.1A283 S284 I290 G291A283-L287 WeakPolarHBondContact O-CG 3.5Å; A283-L287 PolarHBondContact O-N 2.7Å; S284-L287 PolarHBondContact O-N 2.85Å; L287-I290 PolarHBondContact O-N 3.11Å; L287-G291 PolarHBondContact O-N 3.48Å
288I94.6Very high91.9Very high103 Ų10396.6 Ų96.653%0.52850%0.5SS..Hα-helixtrans-62.8-46.8174.7-67.5164.2000110.3S284 L285 F286 I290 G291 C292S284-I288 VanDerWaalsContact O-CG1 3.26Å; S284-I288 WeakPolarHBondContact O-CG1 3.29Å; S284-I288 PolarHBondContact O-N 3.44Å; L285-I288 PolarHBondContact O-N 3.31Å; F286-I288 PolarHBondContact O-N 2.92Å; I288-I290 PolarHBondContact O-N 2.96Å; I288-G291 PolarHBondContact O-N 3.04Å; I288-C292 PolarHBondContact O-N 3.07Å; I288-C292 PolarHBondContact O-SG 2.87Å
289C93.8Very high91.8Very high69 Ų6999.1 Ų99.147%0.46651%0.512SS..Hα-helixtrans-60.2-43.9177.6-740000112.5L285 F286 C292 I293L285-C289 WeakPolarHBondContact O-CB 3.12Å; L285-C289 PolarHBondContact O-N 2.84Å; L285-C289 PolarHBondContact O-SG 3.04Å; F286-C289 PolarHBondContact O-N 2.97Å; C289-C292 PolarHBondContact O-N 3.24Å; C289-I293 VanDerWaalsContact O-CG1 3.3Å; C289-I293 WeakPolarHBondContact O-CG1 3.46Å; C289-I293 PolarHBondContact O-N 3.29Å
290I94.3Very high91.5Very high91 Ų91104.7 Ų104.747%0.46753%0.527SS..Hα-helixtrans-63.1-44.6176.2-67.9165.8000110.2F286 L287 I288 C292 I293 I294F286-I290 VanDerWaalsContact O-CG1 3.25Å; F286-I290 WeakPolarHBondContact O-CG1 3.38Å; F286-I290 PolarHBondContact O-N 3.14Å; L287-I290 PolarHBondContact O-N 3.11Å; I288-I290 PolarHBondContact O-N 2.96Å; I290-C292 VanDerWaalsContact C-N 3.33Å; I290-C292 PolarHBondContact O-N 2.83Å; I290-I293 PolarHBondContact O-N 3.03Å; I290-I294 HydrophobicContact CG2-CD1 3.68Å; I290-I294 HydrophobicContact CG2-CG1 4.33Å; I290-I294 VanDerWaalsContact O-CG1 3.31Å; I290-I294 WeakPolarHBondContact O-CG1 3.48Å; I290-I294 PolarHBondContact O-N 3.46Å
291G92.3Very high90.9Very high39 Ų39108 Ų10840%0.40253%0.531SS..Hα-helixtrans-57.3-44.4174.300000112.4L287 I288 I293 I294 W295L287-G291 PolarHBondContact O-N 3.48Å; I288-G291 PolarHBondContact O-N 3.04Å; G291-I293 PolarHBondContact O-N 2.69Å; G291-I294 PolarHBondContact O-N 2.94Å; G291-W295 VanDerWaalsContact O-CB 3.23Å; G291-W295 WeakPolarHBondContact O-CB 3.4Å; G291-W295 PolarHBondContact O-N 2.83Å
292C93.9Very high90.2Very high69 Ų69111 Ų11147%0.46654%0.54SS..Hα-helixtrans-64.4-38.5176-690000112.9I288 C289 I290 R296I288-C292 PolarHBondContact O-N 3.07Å; I288-C292 PolarHBondContact O-SG 2.87Å; C289-C292 PolarHBondContact O-N 3.24Å; I290-C292 VanDerWaalsContact C-N 3.33Å; I290-C292 PolarHBondContact O-N 2.83Å; C292-R296 WeakPolarHBondContact O-CB 3.47Å; C292-R296 WeakPolarHBondContact O-CG 3.13Å; C292-R296 PolarHBondContact O-N 2.88Å
293I93Very high89.3Confident115 Ų115117.9 Ų117.959%0.5956%0.558SS**Hα-helixtrans-67.6-46.7177.3-69.8162.2000110.4C289 I290 G291 W295 R296 W297C289-I293 VanDerWaalsContact O-CG1 3.3Å; C289-I293 WeakPolarHBondContact O-CG1 3.46Å; C289-I293 PolarHBondContact O-N 3.29Å; I290-I293 PolarHBondContact O-N 3.03Å; G291-I293 PolarHBondContact O-N 2.69Å; I293-W295 VanDerWaalsContact C-N 3.34Å; I293-W295 PolarHBondContact O-N 2.87Å; I293-R296 PolarHBondContact O-N 2.85Å; I293-W297 WeakPolarHBondContact O-CB 3.41Å; I293-W297 PolarHBondContact O-N 3.07Å
294I91.9Very high88.3Confident92 Ų92119.6 Ų119.647%0.47257%0.567SS.*Hα-helixtrans-61.9-44.3177.5-65.6167.6000110.2I290 G291 R296 W297 L298I290-I294 HydrophobicContact CG2-CD1 3.68Å; I290-I294 HydrophobicContact CG2-CG1 4.33Å; I290-I294 VanDerWaalsContact O-CG1 3.31Å; I290-I294 WeakPolarHBondContact O-CG1 3.48Å; I290-I294 PolarHBondContact O-N 3.46Å; G291-I294 PolarHBondContact O-N 2.94Å; I294-R296 PolarHBondContact O-N 2.84Å; I294-W297 PolarHBondContact O-N 2.86Å; I294-W297 VanDerWaalsContact O-N 3.17Å; I294-L298 HydrophobicContact CG2-CD1 3.95Å; I294-L298 HydrophobicContact CG2-CG 4.33Å; I294-L298 WeakPolarHBondContact O-CG 3.43Å; I294-L298 PolarHBondContact O-N 2.65Å
295W90.8Very high86.8Confident179 Ų179123.6 Ų123.668%0.67859%0.585SS**Hα-helixtrans-58.4-47.1175.8-177.7-95.5000112.1G291 I293 W297 L298 L299G291-W295 VanDerWaalsContact O-CB 3.23Å; G291-W295 WeakPolarHBondContact O-CB 3.4Å; G291-W295 PolarHBondContact O-N 2.83Å; I293-W295 VanDerWaalsContact C-N 3.34Å; I293-W295 PolarHBondContact O-N 2.87Å; W295-W297 VanDerWaalsContact C-N 3.31Å; W295-W297 PolarHBondContact O-N 3.1Å; W295-L298 PolarHBondContact O-N 2.86Å; W295-L299 VanDerWaalsContact CD1-CD1 3.43Å; W295-L299 HydrophobicContact CG-CD1 4.34Å; W295-L299 WeakPolarHBondContact O-CB 3.41Å; W295-L299 WeakPolarHBondContact O-CG 3.41Å; W295-L299 PolarHBondContact O-N 3.4Å
296R89.7Confident84.9Confident190 Ų190129 Ų12972%0.71761%0.607SS**Hα-helixtrans-63.3-36.2175.5-78-176.8175.4-155.90.2112.5C292 I293 I294 R300C292-R296 WeakPolarHBondContact O-CB 3.47Å; C292-R296 WeakPolarHBondContact O-CG 3.13Å; C292-R296 PolarHBondContact O-N 2.88Å; I293-R296 PolarHBondContact O-N 2.85Å; I294-R296 PolarHBondContact O-N 2.84Å; R296-R300 PolarHBondContact O-N 3.12Å
297W88.7Confident84.5Confident154 Ų154128.5 Ų128.558%0.58361%0.607SS**Hα-helixtrans-69.9-43178.1-16778.9000111.9I293 I294 W295 R300 R301I293-W297 WeakPolarHBondContact O-CB 3.41Å; I293-W297 PolarHBondContact O-N 3.07Å; I294-W297 PolarHBondContact O-N 2.86Å; I294-W297 VanDerWaalsContact O-N 3.17Å; W295-W297 VanDerWaalsContact C-N 3.31Å; W295-W297 PolarHBondContact O-N 3.1Å; W297-R300 PolarHBondContact O-N 3.07Å; W297-R301 PolarHBondContact O-N 3.23Å
298L87.7Confident83.9Confident96 Ų96128.6 Ų128.650%0.50360%0.604SS.*Hα-helixtrans-63.3-41.3173.9-71.5172000112I294 W295 R300 R301 K302I294-L298 HydrophobicContact CG2-CD1 3.95Å; I294-L298 HydrophobicContact CG2-CG 4.33Å; I294-L298 WeakPolarHBondContact O-CG 3.43Å; I294-L298 PolarHBondContact O-N 2.65Å; W295-L298 PolarHBondContact O-N 2.86Å; L298-R300 VanDerWaalsContact C-N 3.3Å; L298-R300 PolarHBondContact O-N 3.09Å; L298-R301 PolarHBondContact O-N 3.07Å; L298-K302 PolarHBondContact O-N 3.31Å
299L84.2Confident83.4Confident94 Ų94130.1 Ų130.149%0.49261%0.609SS.*Hα-helixtrans-60.8-38173.3-86.1164.8000112.6W295W295-L299 VanDerWaalsContact CD1-CD1 3.43Å; W295-L299 HydrophobicContact CG-CD1 4.34Å; W295-L299 WeakPolarHBondContact O-CB 3.41Å; W295-L299 WeakPolarHBondContact O-CG 3.41Å; W295-L299 PolarHBondContact O-N 3.4Å
300R83.4Confident82.7Confident202 Ų202133.6 Ų133.676%0.76262%0.617SS**Hα-helixtrans-68.1-42175-99.4-174.1-179.1174.30.5112.2R296 W297 L298 R303R296-R300 PolarHBondContact O-N 3.12Å; W297-R300 PolarHBondContact O-N 3.07Å; L298-R300 VanDerWaalsContact C-N 3.3Å; L298-R300 PolarHBondContact O-N 3.09Å; R300-R303 PolarHBondContact O-N 3.48Å
301R79.5Confident82Confident140 Ų140136.3 Ų136.353%0.52863%0.626SS.*Hα-helixtrans-66.2-39.7-179.5-165.9173.3-177173.21.3112W297 L298 R303 S304 D305W297-R301 PolarHBondContact O-N 3.23Å; L298-R301 PolarHBondContact O-N 3.07Å; R301-R303 PolarHBondContact O-N 3.31Å; R301-R303 VanDerWaalsContact O-N 3.15Å; R301-S304 PolarHBondContact O-N 3.38Å; R301-S304 PolarHBondContact O-OG 3.25Å; R301-D305 PolarHBondContact O-N 2.9Å
302K77.1Confident81.3Confident165 Ų165142.8 Ų142.872%0.71764%0.641SS**Hα-helixtrans-62.3-22.3176.2-153.3178.5-177.9-175.30113.3L298L298-K302 PolarHBondContact O-N 3.31Å
303R73.6Confident80.4Confident210 Ų210148.1 Ų148.179%0.79265%0.654SS**THydrogen-bonded Turntrans-84.4-12.8174.1-92.4-170.7-162.8173.84.7114.9R300 R301R300-R303 PolarHBondContact O-N 3.48Å; R301-R303 PolarHBondContact O-N 3.31Å; R301-R303 VanDerWaalsContact O-N 3.15Å
304S70.5Confident79.5Confident83 Ų83150.6 Ų150.658%0.5866%0.659SS**THydrogen-bonded Turntrans-97.4-14.2176.672.60000113.5R301 E306R301-S304 PolarHBondContact O-N 3.38Å; R301-S304 PolarHBondContact O-OG 3.25Å; S304-E306 VanDerWaalsContact C-N 3.34Å
305D62.4Low78.4Confident133 Ų133155.5 Ų155.571%0.71167%0.674SS**  trans-91.71.4175.6-64-21.3000112R301R301-D305 PolarHBondContact O-N 2.9Å
306E53.7Low77.3Confident220 Ų220153.4 Ų153.4100%1.02867%0.674SS**  trans-101.20162.5-80.7179.1165.500109.7S304S304-E306 VanDerWaalsContact C-N 3.34Å

Retrieved 306 of 306 residues in 252.4 ms (Link to these results)

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