A0AA82N815_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N815, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 301 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
1M91.2Very high95.6Very high125 Ų12581.4 Ų81.462%0.61642%0.415SS*.  0128.40179.1178.667.900108.2I3 V158 E159 F160M1-I3 HydrophobicContact CE-CD1 4.09Å; M1-I3 HydrophobicContact CG-CG1 4.36Å; M1-I3 HydrophobicContact SD-CD1 4.36Å; M1-I3 HydrophobicContact SD-CG1 4.5Å; M1-V158 HydrophobicContact CG-CG1 3.93Å; M1-V158 HydrophobicContact SD-CG1 4.19Å; M1-E159 CarbonylContact C-O 3.57Å; M1-E159 VanDerWaalsContact CA-O 3.22Å; M1-E159 WeakPolarHBondContact CA-O 3.22Å; M1-F160 HydrophobicContact CB-CD1 3.94Å; M1-F160 HydrophobicContact CB-CE1 3.63Å; M1-F160 HydrophobicContact CB-CZ 4.31Å; M1-F160 HydrophobicContact CG-CD1 4.18Å; M1-F160 HydrophobicContact CG-CE1 3.57Å; M1-F160 HydrophobicContact CG-CE2 4.4Å; M1-F160 HydrophobicContact CG-CZ 3.72Å; M1-F160 HydrophobicContact SD-CE1 3.61Å; M1-F160 HydrophobicContact SD-CE2 4.45Å; M1-F160 HydrophobicContact SD-CZ 3.46Å; M1-F160 WeakPolarHBondContact SD-CZ 3.41Å
2R94.1Very high95.7Very high152 Ų15279.7 Ų79.757%0.57441%0.414SS*.EExtended strand (participates in β ladder)trans-121135.1174.1-178.2179.3177.8-174.4-6.1108.7Q4 V158 E159R2-Q4 HydrophobicContact CG-CG 4.13Å; R2-Q4 VanDerWaalsContact NE-NE2 3.16Å; R2-V158 CarbonylContact O-C 3.58Å; R2-V158 WeakPolarHBondContact O-CA 3.28Å; R2-E159 PolarHBondContact N-O 2.91Å; R2-E159 PolarHBondContact O-N 2.86Å
3I96Very high95.7Very high49 Ų4977.4 Ų77.425%0.25141%0.409SS..EExtended strand (participates in β ladder)trans-118.8129177.7-57-179.3000107.8M1 W151 T156 V158M1-I3 HydrophobicContact CE-CD1 4.09Å; M1-I3 HydrophobicContact CG-CG1 4.36Å; M1-I3 HydrophobicContact SD-CD1 4.36Å; M1-I3 HydrophobicContact SD-CG1 4.5Å; I3-W151 HydrophobicContact CD1-CB 4.08Å; I3-W151 HydrophobicContact CD1-CD2 4.48Å; I3-W151 HydrophobicContact CD1-CG 3.81Å; I3-W151 HydrophobicContact CG2-CB 4.28Å; I3-T156 HydrophobicContact CG2-CG2 3.86Å; I3-V158 HydrophobicContact CG1-CG1 4.15Å; I3-V158 HydrophobicContact CG1-CG2 4.16Å; I3-V158 HydrophobicContact CG2-CG2 4.33Å
4Q97.3Very high95.7Very high38 Ų3882.4 Ų82.418%0.17843%0.429CS..EExtended strand (participates in β ladder)trans-128.6139.2179.4-50.3-171.149.100109.2R2 Q7 T156 L157 E159R2-Q4 HydrophobicContact CG-CG 4.13Å; R2-Q4 VanDerWaalsContact NE-NE2 3.16Å; Q4-Q7 HydrophobicContact CB-CG 3.75Å; Q4-T156 CarbonylContact O-C 3.43Å; Q4-T156 WeakPolarHBondContact O-CA 3.33Å; Q4-L157 PolarHBondContact N-O 2.9Å; Q4-L157 PolarHBondContact O-N 3Å; Q4-E159 PolarHBondContact NE2-OE2 2.82Å
5H96Very high95.8Very high73 Ų7382.4 Ų82.434%0.33842%0.421SS..SBendtrans-109166.5178.6-63.6-63.7000111.4Q7 W151 G155 T156H5-Q7 PolarHBondContact O-N 3.48Å; H5-Q7 PolarHBondContact O-NE2 3.22Å; H5-W151 AromaticContact CE1-CE3 3.64Å; H5-W151 AromaticContact NE2-CE3 3.33Å; H5-W151 VanDerWaalsContact NE2-CE3 3.33Å; H5-W151 AromaticContact NE2-CZ3 3.52Å; H5-G155 CarbonylContact C-O 3.55Å; H5-T156 PolarHBondContact ND1-OG1 2.01Å
6N95.9Very high95.9Very high152 Ų15278 Ų7881%0.81340%0.398SS*.SBendtrans5435.8179.8-54.3-33.3000112.9G155N6-G155 PolarHBondContact N-O 2.9Å
7Q97.4Very high95.8Very high69 Ų6982.9 Ų82.932%0.32242%0.416SS..PPolyproline II helixtrans-89.9138.3177.5-59-56.2-64.800110Q4 H5 Y113 G155 L157Q4-Q7 HydrophobicContact CB-CG 3.75Å; H5-Q7 PolarHBondContact O-N 3.48Å; H5-Q7 PolarHBondContact O-NE2 3.22Å; Q7-Y113 HydrophobicContact CB-CE2 4.25Å; Q7-Y113 VanDerWaalsContact O-CE2 3.31Å; Q7-Y113 WeakPolarHBondContact O-CE2 3.5Å; Q7-Y113 PolarHBondContact O-OH 3.07Å; Q7-G155 PolarHBondContact N-O 3.49Å; Q7-G155 WeakPolarHBondContact O-CA 3.4Å; Q7-L157 HydrophobicContact CB-CB 4.07Å; Q7-L157 HydrophobicContact CG-CB 3.86Å
8S96.1Very high95.8Very high107 Ų10781.8 Ų81.875%0.74841%0.411SS*.PPolyproline II helixtrans-69.2160.8167.2-56.60000110.8Y113S8-Y113 VanDerWaalsContact C-OH 3.29Å
9Q95.6Very high95.7Very high62 Ų6285.4 Ų85.429%0.2942%0.424SS..PPolyproline II helixtrans-57.1123.7176.6-173-179.1-10.100110.6V11 S13 Y113Q9-V11 VanDerWaalsContact C-N 3.26Å; Q9-V11 VanDerWaalsContact CD-O 3.27Å; Q9-V11 VanDerWaalsContact CG-O 3.32Å; Q9-V11 WeakPolarHBondContact CG-O 3.48Å; Q9-V11 PolarHBondContact NE2-O 3.35Å; Q9-V11 PolarHBondContact O-N 3.44Å; Q9-S13 PolarHBondContact NE2-OG 3.22Å; Q9-S13 PolarHBondContact OE1-OG 3.35Å; Q9-Y113 VanDerWaalsContact CA-CE1 3.5Å; Q9-Y113 HydrophobicContact CB-CD1 4.46Å; Q9-Y113 HydrophobicContact CB-CE1 3.76Å; Q9-Y113 HydrophobicContact CG-CD1 4.21Å; Q9-Y113 HydrophobicContact CG-CE1 3.96Å; Q9-Y113 PolarHBondContact N-OH 2.79Å; Q9-Y113 VanDerWaalsContact N-OH 3.14Å
10P95.8Very high95.5Very high60 Ų6082 Ų8239%0.3941%0.407SS..SBendtrans-71.2-20.1-172.526.2-35.3000113.7L103 Y113 L157P10-L103 HydrophobicContact CB-CD1 4.12Å; P10-L103 HydrophobicContact CG-CD1 3.68Å; P10-Y113 HydrophobicContact CG-CG 4.22Å; P10-L157 HydrophobicContact CG-CD1 4.39Å
11V96.4Very high95.1Very high8 Ų880.5 Ų80.55%0.04841%0.413CS..SBendtrans-143.2125.9-176.1-177.40000108.9Q9 R15 F16 L75 L80 L103Q9-V11 VanDerWaalsContact C-N 3.26Å; Q9-V11 VanDerWaalsContact CD-O 3.27Å; Q9-V11 VanDerWaalsContact CG-O 3.32Å; Q9-V11 WeakPolarHBondContact CG-O 3.48Å; Q9-V11 PolarHBondContact NE2-O 3.35Å; Q9-V11 PolarHBondContact O-N 3.44Å; V11-R15 HydrophobicContact CG1-CB 4.28Å; V11-F16 HydrophobicContact CB-CE2 4.19Å; V11-F16 HydrophobicContact CB-CZ 4.49Å; V11-F16 HydrophobicContact CG1-CE2 3.86Å; V11-F16 HydrophobicContact CG1-CZ 4.32Å; V11-L75 HydrophobicContact CG1-CD2 4.04Å; V11-L80 HydrophobicContact CG1-CD2 4.32Å; V11-L80 HydrophobicContact CG2-CD2 3.59Å; V11-L103 HydrophobicContact CG2-CD1 3.56Å; V11-L103 HydrophobicContact CG2-CD2 3.93Å; V11-L103 HydrophobicContact CG2-CG 4.42Å
12P96.4Very high95Very high61 Ų6182.8 Ų82.840%0.39642%0.42SS..  trans-56.2138.3178.3-25.833.8000113.2E14 R15P12-E14 VanDerWaalsContact C-N 3.26Å; P12-E14 HydrophobicContact CB-CG 4.24Å; P12-E14 WeakPolarHBondContact CB-OE1 3.35Å; P12-E14 PolarHBondContact O-N 3.05Å; P12-R15 WeakPolarHBondContact O-CB 3.38Å; P12-R15 PolarHBondContact O-N 3.23Å
13S95.8Very high95Very high50 Ų5078.2 Ų78.235%0.3541%0.411SS..G310 helixtrans-61.4-30.5-177.1-59.40000113.1Q9 R15 F16 Q84Q9-S13 PolarHBondContact NE2-OG 3.22Å; Q9-S13 PolarHBondContact OE1-OG 3.35Å; S13-R15 PolarHBondContact O-N 3.32Å; S13-F16 PolarHBondContact O-N 3.05Å; S13-Q84 PolarHBondContact OG-NE2 3.26Å; S13-Q84 PolarHBondContact OG-OE1 3.32Å
14E96.2Very high95.1Very high147 Ų14779.4 Ų79.469%0.68741%0.413SS*.G310 helixtrans-62.7-15.9178.466-111.3-166.800114.9P12 F16 K17P12-E14 VanDerWaalsContact C-N 3.26Å; P12-E14 HydrophobicContact CB-CG 4.24Å; P12-E14 WeakPolarHBondContact CB-OE1 3.35Å; P12-E14 PolarHBondContact O-N 3.05Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-K17 VanDerWaalsContact O-CE 3.28Å; E14-K17 WeakPolarHBondContact O-CE 3.45Å
15R97.4Very high95.1Very high83 Ų8382.7 Ų82.731%0.31343%0.427SS..G310 helixtrans-74.8-25.4176.4-67.5-175.762.2-166.8-1.8111.9V11 P12 S13 K17 L75 E77V11-R15 HydrophobicContact CG1-CB 4.28Å; P12-R15 WeakPolarHBondContact O-CB 3.38Å; P12-R15 PolarHBondContact O-N 3.23Å; S13-R15 PolarHBondContact O-N 3.32Å; R15-K17 PolarHBondContact O-N 3.46Å; R15-L75 HydrophobicContact CB-CD1 4.05Å; R15-L75 WeakPolarHBondContact O-CD1 3.43Å; R15-E77 IonicContact CZ-OE2 3.84Å; R15-E77 IonicContact NE-OE1 2.73Å; R15-E77 IonicContact NE-OE2 3.53Å; R15-E77 IonicContact NH2-OE1 2.81Å; R15-E77 IonicContact NH2-OE2 3.61Å; R15-E77 PolarHBondContact NH2-OE2 2.95Å
16F97.8Very high95.1Very high12 Ų1279.5 Ų79.55%0.05341%0.412CS..  trans-83.5111.7177-60.2-98.8000109.8V11 S13 E14 V73 L75 Q84 T101 L103V11-F16 HydrophobicContact CB-CE2 4.19Å; V11-F16 HydrophobicContact CB-CZ 4.49Å; V11-F16 HydrophobicContact CG1-CE2 3.86Å; V11-F16 HydrophobicContact CG1-CZ 4.32Å; S13-F16 PolarHBondContact O-N 3.05Å; E14-F16 VanDerWaalsContact C-N 3.32Å; F16-V73 HydrophobicContact CB-CB 3.83Å; F16-V73 HydrophobicContact CB-CG2 3.45Å; F16-V73 VanDerWaalsContact CB-CG2 3.45Å; F16-V73 WeakPolarHBondContact CD1-O 3.45Å; F16-V73 HydrophobicContact CG-CG2 4.31Å; F16-L75 HydrophobicContact CD1-CB 3.51Å; F16-L75 HydrophobicContact CE1-CB 3.68Å; F16-L75 HydrophobicContact CE1-CD2 4.3Å; F16-L75 HydrophobicContact CG-CB 4.1Å; F16-L75 HydrophobicContact CZ-CB 4.38Å; F16-L75 HydrophobicContact CZ-CD2 4.21Å; F16-Q84 HydrophobicContact CD1-CB 3.83Å; F16-Q84 HydrophobicContact CD2-CB 4.24Å; F16-Q84 HydrophobicContact CE1-CB 3.93Å; F16-Q84 HydrophobicContact CE2-CB 4.33Å; F16-Q84 HydrophobicContact CG-CB 3.99Å; F16-Q84 HydrophobicContact CZ-CB 4.18Å; F16-T101 HydrophobicContact CE1-CG2 4.33Å; F16-T101 HydrophobicContact CZ-CG2 3.83Å; F16-L103 HydrophobicContact CE1-CD2 4.48Å; F16-L103 HydrophobicContact CZ-CD2 3.95Å
17K94.1Very high95.2Very high161 Ų16178.4 Ų78.470%0.740%0.397SS*.  trans-120.1-26.6-169.4-64.9-179.3-177.5-179.50114.3E14 R15 K19 V74E14-K17 VanDerWaalsContact O-CE 3.28Å; E14-K17 WeakPolarHBondContact O-CE 3.45Å; R15-K17 PolarHBondContact O-N 3.46Å; K17-K19 PolarHBondContact O-N 2.89Å; K17-V74 PolarHBondContact N-O 2.98Å
18N95Very high95.2Very high63 Ų6376.1 Ų76.134%0.33739%0.389SS..EExtended strand (participates in β ladder)trans-93.8106.6-169.9-56.9-50.1000110.5Y24 V73 V74N18-Y24 HydrophobicContact CB-CE1 4.02Å; N18-Y24 HydrophobicContact CB-CE2 4.13Å; N18-Y24 WeakPolarHBondContact CB-OH 3.35Å; N18-V73 CarbonylContact O-C 3.56Å; N18-V73 WeakPolarHBondContact O-CA 3.48Å; N18-V74 HydrophobicContact CB-CB 4.24Å; N18-V74 PolarHBondContact N-O 3.31Å; N18-V74 PolarHBondContact ND2-O 3.39Å; N18-V74 PolarHBondContact O-N 2.87Å
19K94.6Very high95.3Very high151 Ų15176.7 Ų76.766%0.65738%0.378SS*.EExtended strand (participates in β ladder)trans-67.4137.6178.6-69.1-168.8176.3-163.40111.5K17 A72 V73K17-K19 PolarHBondContact O-N 2.89Å; K19-A72 WeakPolarHBondContact CA-O 3.22Å; K19-V73 HydrophobicContact CG-CG1 3.93Å
20I91.8Very high95.3Very high16 Ų1674.6 Ų74.68%0.08237%0.368CS..  trans-87.3125171.3-58.1169.9000108.3Y24 F44 A72 V74 V83I20-Y24 HydrophobicContact CG1-CG 4.46Å; I20-F44 HydrophobicContact CD1-CB 3.47Å; I20-F44 VanDerWaalsContact CD1-CB 3.47Å; I20-F44 HydrophobicContact CD1-CG 4.17Å; I20-F44 HydrophobicContact CG1-CB 4.24Å; I20-A72 HydrophobicContact CB-CB 4.2Å; I20-A72 HydrophobicContact CD1-CB 3.7Å; I20-A72 HydrophobicContact CG1-CB 4.25Å; I20-A72 PolarHBondContact N-O 3.21Å; I20-V74 HydrophobicContact CD1-CG2 3.5Å; I20-V74 HydrophobicContact CG1-CG2 3.59Å; I20-V83 HydrophobicContact CD1-CG2 3.74Å
21G87.2Confident95.2Very high51 Ų5181.8 Ų81.853%0.52639%0.387SS..SBendtrans-82.9-117.3166.400000110.6Y70G21-Y70 PolarHBondContact O-OH 3.4Å
22F89Confident95.1Very high174 Ų17481.8 Ų81.876%0.76339%0.387SS*.SBendtrans-71.2-42.8170.7179.9-102.7000112.3Y45F22-Y45 HydrophobicContact CE1-CE1 4.37Å
23S94.2Very high94.8Very high56 Ų5682.3 Ų82.339%0.39239%0.391SS..  trans-150.9157174.5660000109.5F44S23-F44 CarbonylContact C-O 3.51Å; S23-F44 VanDerWaalsContact CA-O 3.23Å; S23-F44 WeakPolarHBondContact CA-O 3.39Å
24Y96.8Very high94.6Very high73 Ų7380.2 Ų80.229%0.28638%0.376SS..EExtended strand (participates in β ladder)trans-136.9123.7174.8-166.6-96.1000109.6N18 I20 V26 F44 V74N18-Y24 HydrophobicContact CB-CE1 4.02Å; N18-Y24 HydrophobicContact CB-CE2 4.13Å; N18-Y24 WeakPolarHBondContact CB-OH 3.35Å; I20-Y24 HydrophobicContact CG1-CG 4.46Å; Y24-V26 HydrophobicContact CD1-CG1 3.65Å; Y24-V26 HydrophobicContact CE1-CG1 3.44Å; Y24-V26 VanDerWaalsContact CE1-CG1 3.44Å; Y24-F44 HydrophobicContact CD1-CD2 4.46Å; Y24-F44 PolarHBondContact N-O 2.93Å; Y24-F44 PolarHBondContact O-N 3.18Å; Y24-V74 HydrophobicContact CD1-CB 4.24Å; Y24-V74 HydrophobicContact CD1-CG1 4.27Å; Y24-V74 HydrophobicContact CD1-CG2 4.1Å; Y24-V74 HydrophobicContact CE1-CB 4.34Å; Y24-V74 HydrophobicContact CE1-CG1 4.25Å
25K97.3Very high94.3Very high108 Ų10876.3 Ų76.347%0.4736%0.355SS..EExtended strand (participates in β ladder)trans-101.3135.6-177.7-179178.963.8159.30109.9Y27 E41 R43K25-Y27 HydrophobicContact CD-CE2 4.47Å; K25-Y27 PolarHBondContact NZ-OH 2.9Å; K25-E41 VanDerWaalsContact CD-CD 3.42Å; K25-E41 HydrophobicContact CD-CG 4.13Å; K25-E41 WeakPolarHBondContact CD-OE1 3.44Å; K25-E41 WeakPolarHBondContact CD-OE2 3.38Å; K25-E41 HydrophobicContact CG-CG 3.84Å; K25-R43 HydrophobicContact CG-CG 4.38Å
26V97.6Very high93.7Very high6 Ų675.7 Ų75.74%0.03638%0.375CS..EExtended strand (participates in β ladder)trans-131147.5171.9-56.20000112.1Y24 V42 F44 V74 L81Y24-V26 HydrophobicContact CD1-CG1 3.65Å; Y24-V26 HydrophobicContact CE1-CG1 3.44Å; Y24-V26 VanDerWaalsContact CE1-CG1 3.44Å; V26-V42 HydrophobicContact CG2-CB 3.85Å; V26-V42 PolarHBondContact N-O 2.89Å; V26-V42 PolarHBondContact O-N 3.23Å; V26-F44 HydrophobicContact CB-CE2 4.45Å; V26-F44 HydrophobicContact CG1-CD2 4.4Å; V26-F44 HydrophobicContact CG1-CE2 4Å; V26-F44 HydrophobicContact CG2-CD2 4.41Å; V26-F44 HydrophobicContact CG2-CE2 3.59Å; V26-F44 HydrophobicContact CG2-CZ 4.43Å; V26-V74 HydrophobicContact CG1-CG1 4.15Å; V26-L81 HydrophobicContact CG2-CD1 3.91Å; V26-L81 HydrophobicContact CG2-CD2 4.28Å
27Y97.7Very high93.2Very high128 Ų12877.8 Ų77.850%0.50238%0.383SS..  trans-98.4114.9158.6-59.8-78.2000106.3K25 K29 E40 E41 N76K25-Y27 HydrophobicContact CD-CE2 4.47Å; K25-Y27 PolarHBondContact NZ-OH 2.9Å; Y27-K29 PolarHBondContact O-N 2.92Å; Y27-E40 VanDerWaalsContact CD1-O 3.29Å; Y27-E40 WeakPolarHBondContact CD1-O 3.31Å; Y27-E41 HydrophobicContact CD1-CB 4.39Å; Y27-E41 HydrophobicContact CE1-CB 4.11Å; Y27-E41 HydrophobicContact CE1-CG 4.22Å; Y27-E41 PolarHBondContact OH-OE2 3.45Å; Y27-N76 PolarHBondContact O-ND2 3.34Å
28P97.5Very high93.1Very high21 Ų2174 Ų7414%0.13637%0.368CS..  trans-54.2136.1178.2-24.633.8000111F30 F32 V39 E40 V42 L81P28-F30 WeakPolarHBondContact CB-O 3.41Å; P28-F30 PolarHBondContact O-N 2.93Å; P28-F32 HydrophobicContact CB-CD1 4.38Å; P28-F32 HydrophobicContact CB-CE1 3.95Å; P28-F32 HydrophobicContact CG-CE1 3.7Å; P28-V39 HydrophobicContact CG-CG1 4.38Å; P28-E40 WeakPolarHBondContact CD-O 3.37Å; P28-V42 HydrophobicContact CG-CG2 4.27Å; P28-L81 HydrophobicContact CB-CD2 4.39Å; P28-L81 HydrophobicContact CG-CD2 4.08Å
29K97.2Very high93.2Very high120 Ų12071.2 Ų71.252%0.52235%0.353SS..SBendtrans-77.76.6178.2-68.7-179.8-178.9165.40114.1Y27 N76 N78Y27-K29 PolarHBondContact O-N 2.92Å; K29-N76 WeakPolarHBondContact CD-O 3.26Å; K29-N76 VanDerWaalsContact CE-O 3.32Å; K29-N76 WeakPolarHBondContact CE-O 3.29Å; K29-N76 PolarHBondContact N-OD1 3.48Å; K29-N76 PolarHBondContact NZ-O 3.31Å; K29-N78 WeakPolarHBondContact CB-OD1 3.43Å
30F96.6Very high93.3Very high17 Ų1768.7 Ų68.78%0.07534%0.344CS..SBendtrans-145.7158.9177.156.6-89.3000109P28 F32 E77 N78 L80 L81 I104 P106P28-F30 WeakPolarHBondContact CB-O 3.41Å; P28-F30 PolarHBondContact O-N 2.93Å; F30-F32 HydrophobicContact CD2-CB 4.3Å; F30-F32 HydrophobicContact CD2-CD1 4.01Å; F30-F32 HydrophobicContact CE2-CB 4.15Å; F30-F32 AromaticContact CE2-CD1 3.57Å; F30-F32 HydrophobicContact CE2-CD1 3.57Å; F30-F32 HydrophobicContact CE2-CE1 4.27Å; F30-F32 HydrophobicContact CE2-CG 4.11Å; F30-F32 HydrophobicContact CZ-CD1 4.43Å; F30-E77 VanDerWaalsContact CD1-O 3.23Å; F30-E77 WeakPolarHBondContact CD1-O 3.37Å; F30-E77 WeakPolarHBondContact CE1-O 3.3Å; F30-N78 WeakPolarHBondContact CB-O 3.46Å; F30-L80 VanDerWaalsContact CE1-C 3.48Å; F30-L81 HydrophobicContact CE1-CB 3.9Å; F30-L81 HydrophobicContact CZ-CB 3.7Å; F30-I104 WeakPolarHBondContact CZ-O 3.48Å; F30-P106 HydrophobicContact CB-CG 4.33Å; F30-P106 HydrophobicContact CD1-CG 4.46Å; F30-P106 HydrophobicContact CD2-CB 3.87Å; F30-P106 HydrophobicContact CD2-CG 3.72Å; F30-P106 HydrophobicContact CE2-CB 4.4Å; F30-P106 HydrophobicContact CE2-CG 4.11Å; F30-P106 HydrophobicContact CG-CB 4.38Å; F30-P106 HydrophobicContact CG-CG 3.91Å
31W92.8Very high93.6Very high212 Ų21268.9 Ų68.980%0.80334%0.344SS*.  trans-87138.3176.7-62.72.7000109.7H38W31-H38 AromaticContact CD1-CE1 3.97Å; W31-H38 AromaticContact CD2-CE1 3.97Å; W31-H38 AromaticContact CG-CE1 3.7Å
32F93.4Very high94.1Very high8 Ų866.5 Ų66.54%0.03532%0.319CS..  trans-149.6159.4167.272-80.2000109.2P28 F30 F34 V39 V42 L81 I104P28-F32 HydrophobicContact CB-CD1 4.38Å; P28-F32 HydrophobicContact CB-CE1 3.95Å; P28-F32 HydrophobicContact CG-CE1 3.7Å; F30-F32 HydrophobicContact CD2-CB 4.3Å; F30-F32 HydrophobicContact CD2-CD1 4.01Å; F30-F32 HydrophobicContact CE2-CB 4.15Å; F30-F32 AromaticContact CE2-CD1 3.57Å; F30-F32 HydrophobicContact CE2-CD1 3.57Å; F30-F32 HydrophobicContact CE2-CE1 4.27Å; F30-F32 HydrophobicContact CE2-CG 4.11Å; F30-F32 HydrophobicContact CZ-CD1 4.43Å; F32-F34 HydrophobicContact CE2-CB 4.42Å; F32-V39 HydrophobicContact CD1-CB 4.26Å; F32-V39 HydrophobicContact CD2-CB 4.42Å; F32-V39 HydrophobicContact CD2-CG2 3.85Å; F32-V39 HydrophobicContact CE1-CB 3.79Å; F32-V39 HydrophobicContact CE1-CG1 3.87Å; F32-V39 HydrophobicContact CE1-CG2 4.17Å; F32-V39 HydrophobicContact CE2-CB 3.96Å; F32-V39 HydrophobicContact CE2-CG1 4.29Å; F32-V39 HydrophobicContact CE2-CG2 3.38Å; F32-V39 HydrophobicContact CG-CG2 4.42Å; F32-V39 HydrophobicContact CZ-CB 3.62Å; F32-V39 HydrophobicContact CZ-CG1 3.58Å; F32-V39 HydrophobicContact CZ-CG2 3.57Å; F32-V39 PolarHBondContact O-N 3.17Å; F32-V39 VanDerWaalsContact O-N 3.16Å; F32-V42 HydrophobicContact CZ-CG2 4.35Å; F32-L81 HydrophobicContact CE1-CD2 4.49Å; F32-I104 HydrophobicContact CD1-CG2 4.39Å; F32-I104 HydrophobicContact CD2-CG2 3.85Å; F32-I104 HydrophobicContact CE1-CG2 4.14Å; F32-I104 HydrophobicContact CE2-CG2 3.57Å; F32-I104 HydrophobicContact CG-CG2 4.25Å; F32-I104 HydrophobicContact CZ-CD1 4.47Å; F32-I104 HydrophobicContact CZ-CG2 3.73Å
33S91Very high94.5Very high71 Ų7162.2 Ų62.250%0.49730%0.298SS..EExtended strand (participates in β ladder)trans-104.8145176.4-59.40000110.5Y37S33-Y37 CarbonylContact C-O 3.52Å; S33-Y37 VanDerWaalsContact CA-O 3.24Å; S33-Y37 WeakPolarHBondContact CA-O 3.49Å
34F92.7Very high94.7Very high7 Ų759.6 Ų59.63%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-130.5115.4174.2-175.8-92.4000108.7F32 G36 Y37 V39 I51 I57 I60 I110 I130 V131F32-F34 HydrophobicContact CE2-CB 4.42Å; F34-G36 PolarHBondContact O-N 2.85Å; F34-Y37 PolarHBondContact N-O 3.14Å; F34-Y37 PolarHBondContact O-N 3.4Å; F34-Y37 VanDerWaalsContact O-N 3.07Å; F34-V39 HydrophobicContact CB-CG2 3.54Å; F34-I51 HydrophobicContact CB-CG2 4.22Å; F34-I51 HydrophobicContact CD1-CB 4.47Å; F34-I51 HydrophobicContact CD1-CD1 4.09Å; F34-I51 HydrophobicContact CD1-CG2 4.21Å; F34-I51 HydrophobicContact CD2-CD1 3.55Å; F34-I51 HydrophobicContact CE1-CD1 3.99Å; F34-I51 HydrophobicContact CE2-CD1 3.44Å; F34-I51 VanDerWaalsContact CE2-CD1 3.44Å; F34-I51 HydrophobicContact CG-CD1 3.88Å; F34-I51 HydrophobicContact CG-CG2 4.16Å; F34-I51 HydrophobicContact CZ-CD1 3.67Å; F34-I57 HydrophobicContact CB-CD1 4.11Å; F34-I57 HydrophobicContact CD1-CD1 4.26Å; F34-I57 HydrophobicContact CD1-CG1 4.25Å; F34-I60 HydrophobicContact CE2-CD1 4.29Å; F34-I60 HydrophobicContact CE2-CG1 4.26Å; F34-I110 HydrophobicContact CD2-CD1 4.02Å; F34-I110 HydrophobicContact CE2-CD1 3.75Å; F34-I130 HydrophobicContact CE2-CG2 3.65Å; F34-I130 HydrophobicContact CZ-CG2 3.6Å; F34-V131 WeakPolarHBondContact CE1-O 3.18Å; F34-V131 WeakPolarHBondContact CZ-O 3.27Å
35Y88Confident94.5Very high64 Ų6458.5 Ų58.525%0.25128%0.276SS..THydrogen-bonded Turntrans53.138.8-175.5-79.2-100.9000113.9Y37 I130 I134 H143Y35-Y37 VanDerWaalsContact C-N 3.26Å; Y35-Y37 WeakPolarHBondContact O-CD2 3.49Å; Y35-Y37 WeakPolarHBondContact O-CE2 3.4Å; Y35-Y37 PolarHBondContact O-N 3.02Å; Y35-I130 HydrophobicContact CE2-CG2 3.9Å; Y35-I134 HydrophobicContact CD1-CG2 3.84Å; Y35-I134 HydrophobicContact CE1-CG2 4.49Å; Y35-H143 HydrophobicContact CE1-CB 3.82Å; Y35-H143 AromaticContact CE1-CG 3.97Å; Y35-H143 AromaticContact CE1-ND1 3.48Å; Y35-H143 WeakPolarHBondContact CE1-ND1 3.39Å; Y35-H143 AromaticContact CZ-ND1 3.64Å; Y35-H143 PolarHBondContact OH-ND1 3.26Å
36G85.3Confident94.1Very high71 Ų7154.8 Ų54.873%0.73226%0.263SS*.THydrogen-bonded Turntrans83.2-6.9179.900000114.8F34F34-G36 PolarHBondContact O-N 2.85Å
37Y88.7Confident93.5Very high56 Ų5656.5 Ų56.522%0.2227%0.272CS..EExtended strand (participates in β ladder)trans-98.3141.4177.1-60.3-87.6000111.4S33 F34 Y35 F55 I57 T133 I135S33-Y37 CarbonylContact C-O 3.52Å; S33-Y37 VanDerWaalsContact CA-O 3.24Å; S33-Y37 WeakPolarHBondContact CA-O 3.49Å; F34-Y37 PolarHBondContact N-O 3.14Å; F34-Y37 PolarHBondContact O-N 3.4Å; F34-Y37 VanDerWaalsContact O-N 3.07Å; Y35-Y37 VanDerWaalsContact C-N 3.26Å; Y35-Y37 WeakPolarHBondContact O-CD2 3.49Å; Y35-Y37 WeakPolarHBondContact O-CE2 3.4Å; Y35-Y37 PolarHBondContact O-N 3.02Å; Y37-F55 HydrophobicContact CD1-CE1 4.42Å; Y37-F55 HydrophobicContact CD1-CZ 4.33Å; Y37-F55 HydrophobicContact CE1-CE1 4Å; Y37-F55 AromaticContact CE1-CZ 3.75Å; Y37-F55 HydrophobicContact CE1-CZ 3.75Å; Y37-F55 AromaticContact CZ-CZ 3.95Å; Y37-I57 HydrophobicContact CD1-CG2 4.01Å; Y37-I57 HydrophobicContact CD2-CB 4.15Å; Y37-I57 HydrophobicContact CD2-CG2 3.88Å; Y37-I57 HydrophobicContact CG-CB 4.26Å; Y37-I57 HydrophobicContact CG-CG2 3.6Å; Y37-T133 WeakPolarHBondContact CE2-O 3.41Å; Y37-I135 VanDerWaalsContact OH-CD1 3.31Å; Y37-I135 WeakPolarHBondContact OH-CD1 3.4Å; Y37-I135 WeakPolarHBondContact OH-CG1 3.36Å
38H91.3Very high93.3Very high82 Ų8251.7 Ų51.738%0.3826%0.255SS..EExtended strand (participates in β ladder)trans-65.5131.7168.1179.863.4000110.3W31 G53W31-H38 AromaticContact CD1-CE1 3.97Å; W31-H38 AromaticContact CD2-CE1 3.97Å; W31-H38 AromaticContact CG-CE1 3.7Å; H38-G53 VanDerWaalsContact O-CA 3.3Å; H38-G53 WeakPolarHBondContact O-CA 3.36Å
39V95.8Very high93.2Very high4 Ų450.9 Ų50.92%0.02425%0.249CC..PPolyproline II helixtrans-89.5119.6176.9-175.50000110.3P28 F32 F34 V42 I51 I57P28-V39 HydrophobicContact CG-CG1 4.38Å; F32-V39 HydrophobicContact CD1-CB 4.26Å; F32-V39 HydrophobicContact CD2-CB 4.42Å; F32-V39 HydrophobicContact CD2-CG2 3.85Å; F32-V39 HydrophobicContact CE1-CB 3.79Å; F32-V39 HydrophobicContact CE1-CG1 3.87Å; F32-V39 HydrophobicContact CE1-CG2 4.17Å; F32-V39 HydrophobicContact CE2-CB 3.96Å; F32-V39 HydrophobicContact CE2-CG1 4.29Å; F32-V39 HydrophobicContact CE2-CG2 3.38Å; F32-V39 HydrophobicContact CG-CG2 4.42Å; F32-V39 HydrophobicContact CZ-CB 3.62Å; F32-V39 HydrophobicContact CZ-CG1 3.58Å; F32-V39 HydrophobicContact CZ-CG2 3.57Å; F32-V39 PolarHBondContact O-N 3.17Å; F32-V39 VanDerWaalsContact O-N 3.16Å; F34-V39 HydrophobicContact CB-CG2 3.54Å; V39-V42 HydrophobicContact CG1-CG2 3.9Å; V39-I51 HydrophobicContact CB-CG2 4.34Å; V39-I51 HydrophobicContact CG1-CG2 3.68Å; V39-I51 HydrophobicContact CG2-CG2 3.72Å; V39-I57 HydrophobicContact CG2-CD1 4.03Å
40E97.2Very high93.3Very high97 Ų9748.5 Ų48.545%0.45324%0.237SC..  trans-95.6-36.6175.2-65.5179.3-16800111Y27 P28 Y52Y27-E40 VanDerWaalsContact CD1-O 3.29Å; Y27-E40 WeakPolarHBondContact CD1-O 3.31Å; P28-E40 WeakPolarHBondContact CD-O 3.37Å; E40-Y52 PolarHBondContact N-O 2.94Å
41E97.8Very high93.3Very high21 Ų2147.7 Ų47.710%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-147142.8-170.1-178.7-178.5127.400112K25 Y27 R43 Y52K25-E41 VanDerWaalsContact CD-CD 3.42Å; K25-E41 HydrophobicContact CD-CG 4.13Å; K25-E41 WeakPolarHBondContact CD-OE1 3.44Å; K25-E41 WeakPolarHBondContact CD-OE2 3.38Å; K25-E41 HydrophobicContact CG-CG 3.84Å; Y27-E41 HydrophobicContact CD1-CB 4.39Å; Y27-E41 HydrophobicContact CE1-CB 4.11Å; Y27-E41 HydrophobicContact CE1-CG 4.22Å; Y27-E41 PolarHBondContact OH-OE2 3.45Å; E41-R43 HydrophobicContact CG-CG 4.48Å; E41-R43 WeakPolarHBondContact OE1-CG 3.39Å; E41-R43 IonicContact OE1-CZ 3.76Å; E41-R43 IonicContact OE1-NE 2.75Å; E41-R43 PolarHBondContact OE1-NE 3.3Å; E41-R43 IonicContact OE1-NH2 3.05Å; E41-R43 PolarHBondContact OE1-NH2 2.83Å; E41-Y52 PolarHBondContact N-O 3.28Å; E41-Y52 VanDerWaalsContact N-O 3.08Å; E41-Y52 PolarHBondContact O-N 3.01Å
42V98.4Very high93.6Very high0 Ų039.4 Ų39.40%020%0.203CC..EExtended strand (participates in β ladder)trans-124.6130.4170.1-178.10000109V26 P28 F32 V39 F44 E49 Y50 L81V26-V42 HydrophobicContact CG2-CB 3.85Å; V26-V42 PolarHBondContact N-O 2.89Å; V26-V42 PolarHBondContact O-N 3.23Å; P28-V42 HydrophobicContact CG-CG2 4.27Å; F32-V42 HydrophobicContact CZ-CG2 4.35Å; V39-V42 HydrophobicContact CG1-CG2 3.9Å; V42-F44 HydrophobicContact CB-CE2 4.38Å; V42-F44 HydrophobicContact CG1-CD2 4.38Å; V42-F44 HydrophobicContact CG1-CE1 4.17Å; V42-F44 HydrophobicContact CG1-CE2 3.91Å; V42-F44 HydrophobicContact CG1-CZ 3.77Å; V42-E49 HydrophobicContact CG1-CB 4.18Å; V42-Y50 WeakPolarHBondContact CA-O 2.93Å; V42-L81 HydrophobicContact CB-CD2 4.29Å; V42-L81 HydrophobicContact CG2-CD2 3.9Å
43R98Very high93.6Very high84 Ų8439.5 Ų39.532%0.31721%0.206SC..EExtended strand (participates in β ladder)trans-111.9115.2174.7-64.9-173.5-174.1161.112110.1K25 E41 Y45 E49 Y50 Y52K25-R43 HydrophobicContact CG-CG 4.38Å; E41-R43 HydrophobicContact CG-CG 4.48Å; E41-R43 WeakPolarHBondContact OE1-CG 3.39Å; E41-R43 IonicContact OE1-CZ 3.76Å; E41-R43 IonicContact OE1-NE 2.75Å; E41-R43 PolarHBondContact OE1-NE 3.3Å; E41-R43 IonicContact OE1-NH2 3.05Å; E41-R43 PolarHBondContact OE1-NH2 2.83Å; R43-Y45 HydrophobicContact CB-CD2 4.39Å; R43-Y45 HydrophobicContact CB-CE2 3.64Å; R43-E49 CarbonylContact O-C 3.55Å; R43-E49 VanDerWaalsContact O-CA 3.23Å; R43-E49 WeakPolarHBondContact O-CA 3.15Å; R43-Y50 PolarHBondContact N-O 3.45Å; R43-Y50 PolarHBondContact O-N 3.43Å; R43-Y52 HydrophobicContact CB-CE2 4.23Å; R43-Y52 HydrophobicContact CG-CD2 4.3Å; R43-Y52 HydrophobicContact CG-CE2 3.85Å
44F97.4Very high93.6Very high2 Ų241.8 Ų41.81%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-88.2132.2174.9-58.6-88.6000110.6I20 S23 Y24 V26 V42 E49 V74 L81 V83I20-F44 HydrophobicContact CD1-CB 3.47Å; I20-F44 VanDerWaalsContact CD1-CB 3.47Å; I20-F44 HydrophobicContact CD1-CG 4.17Å; I20-F44 HydrophobicContact CG1-CB 4.24Å; S23-F44 CarbonylContact C-O 3.51Å; S23-F44 VanDerWaalsContact CA-O 3.23Å; S23-F44 WeakPolarHBondContact CA-O 3.39Å; Y24-F44 HydrophobicContact CD1-CD2 4.46Å; Y24-F44 PolarHBondContact N-O 2.93Å; Y24-F44 PolarHBondContact O-N 3.18Å; V26-F44 HydrophobicContact CB-CE2 4.45Å; V26-F44 HydrophobicContact CG1-CD2 4.4Å; V26-F44 HydrophobicContact CG1-CE2 4Å; V26-F44 HydrophobicContact CG2-CD2 4.41Å; V26-F44 HydrophobicContact CG2-CE2 3.59Å; V26-F44 HydrophobicContact CG2-CZ 4.43Å; V42-F44 HydrophobicContact CB-CE2 4.38Å; V42-F44 HydrophobicContact CG1-CD2 4.38Å; V42-F44 HydrophobicContact CG1-CE1 4.17Å; V42-F44 HydrophobicContact CG1-CE2 3.91Å; V42-F44 HydrophobicContact CG1-CZ 3.77Å; F44-E49 HydrophobicContact CD1-CB 4.33Å; F44-E49 HydrophobicContact CD1-CG 3.27Å; F44-E49 HydrophobicContact CE1-CG 3.61Å; F44-E49 HydrophobicContact CG-CG 4.17Å; F44-V74 HydrophobicContact CB-CG2 4.4Å; F44-V74 HydrophobicContact CD1-CG2 4.29Å; F44-V74 HydrophobicContact CD2-CG1 4.21Å; F44-V74 HydrophobicContact CD2-CG2 3.85Å; F44-V74 HydrophobicContact CE2-CG1 3.77Å; F44-V74 HydrophobicContact CE2-CG2 4.16Å; F44-V74 HydrophobicContact CG-CG2 3.93Å; F44-V74 HydrophobicContact CZ-CG1 4.18Å; F44-L81 HydrophobicContact CE2-CD1 4.09Å; F44-L81 HydrophobicContact CZ-CD1 3.78Å; F44-L81 HydrophobicContact CZ-CD2 4.43Å; F44-L81 HydrophobicContact CZ-CG 4.17Å; F44-V83 HydrophobicContact CD1-CB 3.7Å; F44-V83 HydrophobicContact CD1-CG1 3.74Å; F44-V83 HydrophobicContact CD1-CG2 4.16Å; F44-V83 HydrophobicContact CE1-CB 3.67Å; F44-V83 HydrophobicContact CE1-CG1 3.65Å
45Y94Very high93.5Very high50 Ų5044.3 Ų44.320%0.19623%0.228CC..  trans-118.8-176.2170.6-65.9-96.1000109.5F22 R43 D47 L48 Y50 R85F22-Y45 HydrophobicContact CE1-CE1 4.37Å; R43-Y45 HydrophobicContact CB-CD2 4.39Å; R43-Y45 HydrophobicContact CB-CE2 3.64Å; Y45-D47 VanDerWaalsContact C-N 3.3Å; Y45-D47 PolarHBondContact O-N 3.31Å; Y45-L48 WeakPolarHBondContact CB-O 3.28Å; Y45-L48 HydrophobicContact CD2-CD1 3.87Å; Y45-L48 HydrophobicContact CG-CD1 4.34Å; Y45-L48 PolarHBondContact N-O 3.4Å; Y45-Y50 HydrophobicContact CD2-CD2 4.01Å; Y45-Y50 HydrophobicContact CD2-CE2 4.42Å; Y45-Y50 AromaticContact CE2-CD2 3.54Å; Y45-Y50 HydrophobicContact CE2-CD2 3.54Å; Y45-Y50 HydrophobicContact CE2-CE2 4.12Å; Y45-R85 PolarHBondContact O-NH2 2.96Å
46S87.3Confident93.8Very high29 Ų2945.1 Ų45.120%0.20323%0.234CC..SBendtrans-49.1-47.6177.4400000113.5R85S46-R85 WeakPolarHBondContact O-CD 3.31Å; S46-R85 PolarHBondContact O-NE 3.49Å
47D86.4Confident94.3Very high43 Ų4341.7 Ų41.723%0.2320%0.199CC..SBendtrans-133.71.1-163.660-28.1000113.7Y45 Y63Y45-D47 VanDerWaalsContact C-N 3.3Å; Y45-D47 PolarHBondContact O-N 3.31Å; D47-Y63 HydrophobicContact CB-CD1 4.27Å; D47-Y63 HydrophobicContact CB-CD2 4.02Å; D47-Y63 HydrophobicContact CB-CG 3.82Å; D47-Y63 VanDerWaalsContact O-CD1 3.31Å; D47-Y63 WeakPolarHBondContact O-CD1 3.38Å
48L93.4Very high94.7Very high27 Ų2739.1 Ų39.114%0.14119%0.189CC..EExtended strand (participates in β ladder)trans-154.9162.5-178.868.486.2000112.4Y45 Y50 I60 N61Y45-L48 WeakPolarHBondContact CB-O 3.28Å; Y45-L48 HydrophobicContact CD2-CD1 3.87Å; Y45-L48 HydrophobicContact CG-CD1 4.34Å; Y45-L48 PolarHBondContact N-O 3.4Å; L48-Y50 HydrophobicContact CD1-CD1 4.21Å; L48-Y50 HydrophobicContact CD1-CD2 3.59Å; L48-Y50 HydrophobicContact CD1-CE1 4.04Å; L48-Y50 HydrophobicContact CD1-CE2 3.4Å; L48-Y50 VanDerWaalsContact CD1-CE2 3.4Å; L48-Y50 HydrophobicContact CD1-CG 3.98Å; L48-I60 WeakPolarHBondContact CA-O 3.45Å; L48-N61 WeakPolarHBondContact CB-ND2 3.29Å
49E95.6Very high95Very high4 Ų436.3 Ų36.32%0.01918%0.177CC..EExtended strand (participates in β ladder)trans-123.9127.2169.3-53.776-153.900110.1V42 R43 F44 N59 I60 R85 I102V42-E49 HydrophobicContact CG1-CB 4.18Å; R43-E49 CarbonylContact O-C 3.55Å; R43-E49 VanDerWaalsContact O-CA 3.23Å; R43-E49 WeakPolarHBondContact O-CA 3.15Å; F44-E49 HydrophobicContact CD1-CB 4.33Å; F44-E49 HydrophobicContact CD1-CG 3.27Å; F44-E49 HydrophobicContact CE1-CG 3.61Å; F44-E49 HydrophobicContact CG-CG 4.17Å; E49-N59 CarbonylContact O-C 3.55Å; E49-N59 WeakPolarHBondContact O-CA 3.38Å; E49-N59 WeakPolarHBondContact O-CB 3.48Å; E49-I60 PolarHBondContact N-O 3.06Å; E49-I60 PolarHBondContact O-N 2.88Å; E49-I60 VanDerWaalsContact OE2-C 3.24Å; E49-I60 WeakPolarHBondContact OE2-CB 3.3Å; E49-R85 IonicContact OE1-CZ 3.26Å; E49-R85 IonicContact OE1-NH1 3.2Å; E49-R85 PolarHBondContact OE1-NH1 3.27Å; E49-R85 IonicContact OE1-NH2 2.63Å; E49-R85 PolarHBondContact OE1-NH2 2.78Å; E49-I102 WeakPolarHBondContact OE1-CD1 3.42Å; E49-I102 WeakPolarHBondContact OE2-CD1 2.7Å
50Y97.9Very high95.1Very high70 Ų7036.1 Ų36.128%0.27518%0.176SC..EExtended strand (participates in β ladder)trans-88.7136.5167-70.3-60.7000110.1V42 R43 Y45 L48 Y52 Q56 N59V42-Y50 WeakPolarHBondContact CA-O 2.93Å; R43-Y50 PolarHBondContact N-O 3.45Å; R43-Y50 PolarHBondContact O-N 3.43Å; Y45-Y50 HydrophobicContact CD2-CD2 4.01Å; Y45-Y50 HydrophobicContact CD2-CE2 4.42Å; Y45-Y50 AromaticContact CE2-CD2 3.54Å; Y45-Y50 HydrophobicContact CE2-CD2 3.54Å; Y45-Y50 HydrophobicContact CE2-CE2 4.12Å; L48-Y50 HydrophobicContact CD1-CD1 4.21Å; L48-Y50 HydrophobicContact CD1-CD2 3.59Å; L48-Y50 HydrophobicContact CD1-CE1 4.04Å; L48-Y50 HydrophobicContact CD1-CE2 3.4Å; L48-Y50 VanDerWaalsContact CD1-CE2 3.4Å; L48-Y50 HydrophobicContact CD1-CG 3.98Å; Y50-Y52 HydrophobicContact CG-CE2 4.42Å; Y50-Q56 HydrophobicContact CD1-CG 4.3Å; Y50-Q56 VanDerWaalsContact CE1-NE2 3.29Å; Y50-N59 HydrophobicContact CD1-CB 3.78Å; Y50-N59 HydrophobicContact CE1-CB 4.14Å
51I98.1Very high95Very high0 Ų031.7 Ų31.70%016%0.155CC..EExtended strand (participates in β ladder)trans-110.9129.3179-55.5179.5000107.9F34 V39 I57 G58 I60F34-I51 HydrophobicContact CB-CG2 4.22Å; F34-I51 HydrophobicContact CD1-CB 4.47Å; F34-I51 HydrophobicContact CD1-CD1 4.09Å; F34-I51 HydrophobicContact CD1-CG2 4.21Å; F34-I51 HydrophobicContact CD2-CD1 3.55Å; F34-I51 HydrophobicContact CE1-CD1 3.99Å; F34-I51 HydrophobicContact CE2-CD1 3.44Å; F34-I51 VanDerWaalsContact CE2-CD1 3.44Å; F34-I51 HydrophobicContact CG-CD1 3.88Å; F34-I51 HydrophobicContact CG-CG2 4.16Å; F34-I51 HydrophobicContact CZ-CD1 3.67Å; V39-I51 HydrophobicContact CB-CG2 4.34Å; V39-I51 HydrophobicContact CG1-CG2 3.68Å; V39-I51 HydrophobicContact CG2-CG2 3.72Å; I51-I57 HydrophobicContact CB-CG1 4.25Å; I51-I57 HydrophobicContact CG2-CD1 3.81Å; I51-I57 HydrophobicContact CG2-CG1 3.82Å; I51-I57 WeakPolarHBondContact O-CG1 3.29Å; I51-I57 PolarHBondContact O-N 3.03Å; I51-G58 PolarHBondContact N-O 3.2Å; I51-G58 PolarHBondContact O-N 2.89Å; I51-I60 HydrophobicContact CD1-CD1 3.65Å; I51-I60 HydrophobicContact CD1-CG1 3.76Å
52Y97.8Very high94.9Very high38 Ų3830.7 Ų30.715%0.14915%0.151CC..EExtended strand (participates in β ladder)trans-123.3132-177.2-63.2-93.4000110.6E40 E41 R43 Y50 F55 Q56E40-Y52 PolarHBondContact N-O 2.94Å; E41-Y52 PolarHBondContact N-O 3.28Å; E41-Y52 VanDerWaalsContact N-O 3.08Å; E41-Y52 PolarHBondContact O-N 3.01Å; R43-Y52 HydrophobicContact CB-CE2 4.23Å; R43-Y52 HydrophobicContact CG-CD2 4.3Å; R43-Y52 HydrophobicContact CG-CE2 3.85Å; Y50-Y52 HydrophobicContact CG-CE2 4.42Å; Y52-F55 WeakPolarHBondContact CA-O 3.4Å; Y52-Q56 HydrophobicContact CD1-CB 3.82Å; Y52-Q56 HydrophobicContact CD1-CG 4.32Å; Y52-Q56 HydrophobicContact CE1-CB 3.56Å; Y52-Q56 HydrophobicContact CE1-CG 3.91Å
53G93.4Very high94.8Very high9 Ų932.6 Ų32.69%0.09316%0.158CC..SBendtrans-98.9-127.4151.600000107.6H38 F55H38-G53 VanDerWaalsContact O-CA 3.3Å; H38-G53 WeakPolarHBondContact O-CA 3.36Å; G53-F55 PolarHBondContact N-O 2.95Å; G53-F55 PolarHBondContact O-N 3.3Å
54T90.3Very high94.6Very high119 Ų11928.6 Ų28.673%0.7314%0.143SC*.SBendtrans-63.1-25170.855.80000113.5
55F92Very high94.4Very high61 Ų6132.2 Ų32.227%0.26816%0.16SC..SBendtrans-138179.2170.762.1-86.4000109.6Y37 Y52 G53 I57 T133 Y140Y37-F55 HydrophobicContact CD1-CE1 4.42Å; Y37-F55 HydrophobicContact CD1-CZ 4.33Å; Y37-F55 HydrophobicContact CE1-CE1 4Å; Y37-F55 AromaticContact CE1-CZ 3.75Å; Y37-F55 HydrophobicContact CE1-CZ 3.75Å; Y37-F55 AromaticContact CZ-CZ 3.95Å; Y52-F55 WeakPolarHBondContact CA-O 3.4Å; G53-F55 PolarHBondContact N-O 2.95Å; G53-F55 PolarHBondContact O-N 3.3Å; F55-I57 HydrophobicContact CD2-CG2 4.19Å; F55-I57 HydrophobicContact CE1-CG2 4.41Å; F55-I57 HydrophobicContact CE2-CG2 3.85Å; F55-I57 HydrophobicContact CZ-CG2 3.96Å; F55-I57 PolarHBondContact O-N 3.32Å; F55-I57 VanDerWaalsContact O-N 3.1Å; F55-T133 HydrophobicContact CE2-CG2 4.38Å; F55-Y140 AromaticContact CE2-CE1 3.84Å; F55-Y140 HydrophobicContact CE2-CE1 3.84Å; F55-Y140 AromaticContact CZ-CE1 3.95Å; F55-Y140 HydrophobicContact CZ-CE1 3.95Å
56Q94.8Very high94.2Very high80 Ų8036.5 Ų36.537%0.37419%0.186SC..EExtended strand (participates in β ladder)trans-68.5108.3174.2-171.4-176-41.400110.4Y50 Y52Y50-Q56 HydrophobicContact CD1-CG 4.3Å; Y50-Q56 VanDerWaalsContact CE1-NE2 3.29Å; Y52-Q56 HydrophobicContact CD1-CB 3.82Å; Y52-Q56 HydrophobicContact CD1-CG 4.32Å; Y52-Q56 HydrophobicContact CE1-CB 3.56Å; Y52-Q56 HydrophobicContact CE1-CG 3.91Å
57I94.9Very high94.5Very high0 Ų038.1 Ų38.10%019%0.188CC..EExtended strand (participates in β ladder)trans-94-12.3-175.954.7174.6000112.6F34 Y37 V39 I51 F55 T133F34-I57 HydrophobicContact CB-CD1 4.11Å; F34-I57 HydrophobicContact CD1-CD1 4.26Å; F34-I57 HydrophobicContact CD1-CG1 4.25Å; Y37-I57 HydrophobicContact CD1-CG2 4.01Å; Y37-I57 HydrophobicContact CD2-CB 4.15Å; Y37-I57 HydrophobicContact CD2-CG2 3.88Å; Y37-I57 HydrophobicContact CG-CB 4.26Å; Y37-I57 HydrophobicContact CG-CG2 3.6Å; V39-I57 HydrophobicContact CG2-CD1 4.03Å; I51-I57 HydrophobicContact CB-CG1 4.25Å; I51-I57 HydrophobicContact CG2-CD1 3.81Å; I51-I57 HydrophobicContact CG2-CG1 3.82Å; I51-I57 WeakPolarHBondContact O-CG1 3.29Å; I51-I57 PolarHBondContact O-N 3.03Å; F55-I57 HydrophobicContact CD2-CG2 4.19Å; F55-I57 HydrophobicContact CE1-CG2 4.41Å; F55-I57 HydrophobicContact CE2-CG2 3.85Å; F55-I57 HydrophobicContact CZ-CG2 3.96Å; F55-I57 PolarHBondContact O-N 3.32Å; F55-I57 VanDerWaalsContact O-N 3.1Å; I57-T133 VanDerWaalsContact O-CB 3.27Å; I57-T133 WeakPolarHBondContact O-CB 3.25Å; I57-T133 PolarHBondContact O-N 3.08Å; I57-T133 PolarHBondContact O-OG1 3.41Å; I57-T133 VanDerWaalsContact O-OG1 3.07Å
58G96.5Very high94.9Very high1 Ų141.1 Ų41.11%0.0120%0.201CC..EExtended strand (participates in β ladder)trans167.2-161.717000000113.8I51 V131I51-G58 PolarHBondContact N-O 3.2Å; I51-G58 PolarHBondContact O-N 2.89Å; G58-V131 CarbonylContact C-O 3.57Å; G58-V131 WeakPolarHBondContact CA-O 3.41Å
59N97.6Very high94.9Very high24 Ų2445.4 Ų45.413%0.12822%0.218CC..EExtended strand (participates in β ladder)trans-152.8155.1177.363.9-88.1000112.2E49 Y50 N61 V131E49-N59 CarbonylContact O-C 3.55Å; E49-N59 WeakPolarHBondContact O-CA 3.38Å; E49-N59 WeakPolarHBondContact O-CB 3.48Å; Y50-N59 HydrophobicContact CD1-CB 3.78Å; Y50-N59 HydrophobicContact CE1-CB 4.14Å; N59-N61 PolarHBondContact ND2-OD1 3.3Å; N59-V131 PolarHBondContact N-O 3.07Å; N59-V131 PolarHBondContact O-N 3.43Å; N59-V131 WeakPolarHBondContact OD1-CB 3.43Å
60I97.9Very high94.9Very high0 Ų048.6 Ų48.60%023%0.231CC..EExtended strand (participates in β ladder)trans-115145.6170.2-57.9172.3000107.5F34 L48 E49 I51 I102 I104 I110 F112 I130F34-I60 HydrophobicContact CE2-CD1 4.29Å; F34-I60 HydrophobicContact CE2-CG1 4.26Å; L48-I60 WeakPolarHBondContact CA-O 3.45Å; E49-I60 PolarHBondContact N-O 3.06Å; E49-I60 PolarHBondContact O-N 2.88Å; E49-I60 VanDerWaalsContact OE2-C 3.24Å; E49-I60 WeakPolarHBondContact OE2-CB 3.3Å; I51-I60 HydrophobicContact CD1-CD1 3.65Å; I51-I60 HydrophobicContact CD1-CG1 3.76Å; I60-I102 HydrophobicContact CG2-CD1 3.9Å; I60-I102 HydrophobicContact CG2-CG2 4.32Å; I60-I104 HydrophobicContact CD1-CD1 4.15Å; I60-I110 HydrophobicContact CD1-CD1 3.76Å; I60-I110 HydrophobicContact CD1-CG1 4.37Å; I60-I110 HydrophobicContact CD1-CG2 4.26Å; I60-F112 HydrophobicContact CG2-CE1 3.61Å; I60-F112 HydrophobicContact CG2-CZ 3.65Å; I60-I130 HydrophobicContact CG1-CG1 4.45Å; I60-I130 HydrophobicContact CG1-CG2 4.43Å; I60-I130 HydrophobicContact CG2-CG1 4.45Å
61N95.8Very high94.7Very high4 Ų451.1 Ų51.12%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-129.9138173.7-63.7102.7000108.7L48 N59 Y63 T128 R129L48-N61 WeakPolarHBondContact CB-ND2 3.29Å; N59-N61 PolarHBondContact ND2-OD1 3.3Å; N61-Y63 HydrophobicContact CB-CD1 4.08Å; N61-Y63 HydrophobicContact CB-CE1 4.1Å; N61-T128 VanDerWaalsContact O-CA 3.28Å; N61-T128 WeakPolarHBondContact O-CA 3.23Å; N61-R129 HydrophobicContact CB-CG 3.68Å; N61-R129 PolarHBondContact N-O 2.99Å; N61-R129 PolarHBondContact O-N 3.28Å; N61-R129 WeakPolarHBondContact OD1-CG 3.39Å; N61-R129 PolarHBondContact OD1-NE 3.41Å
62N96.4Very high94.7Very high0 Ų051.3 Ų51.30%025%0.247CC..EExtended strand (participates in β ladder)trans-153.585.5171-162.433.4000109.4M100 T101 I102 F112 Y114 K127 T128N62-M100 VanDerWaalsContact OD1-CE 3.23Å; N62-M100 WeakPolarHBondContact OD1-CE 3.24Å; N62-T101 PolarHBondContact ND2-O 2.63Å; N62-I102 HydrophobicContact CB-CD1 3.56Å; N62-I102 HydrophobicContact CB-CG1 3.61Å; N62-F112 HydrophobicContact CB-CD1 4.04Å; N62-F112 HydrophobicContact CB-CE1 4.09Å; N62-Y114 WeakPolarHBondContact OD1-CE1 3.25Å; N62-K127 WeakPolarHBondContact CA-O 3.33Å; N62-T128 HydrophobicContact CB-CG2 4.4Å; N62-T128 WeakPolarHBondContact OD1-CB 3.21Å; N62-T128 VanDerWaalsContact OD1-CG2 3.31Å; N62-T128 WeakPolarHBondContact OD1-CG2 3.27Å; N62-T128 PolarHBondContact OD1-OG1 3.49Å
63Y95.4Very high94.6Very high40 Ų4050.9 Ų50.916%0.15725%0.248CC..EExtended strand (participates in β ladder)trans-147.4167.7-172.674.5-78000112.2D47 N61 Q65 K127D47-Y63 HydrophobicContact CB-CD1 4.27Å; D47-Y63 HydrophobicContact CB-CD2 4.02Å; D47-Y63 HydrophobicContact CB-CG 3.82Å; D47-Y63 VanDerWaalsContact O-CD1 3.31Å; D47-Y63 WeakPolarHBondContact O-CD1 3.38Å; N61-Y63 HydrophobicContact CB-CD1 4.08Å; N61-Y63 HydrophobicContact CB-CE1 4.1Å; Y63-Q65 HydrophobicContact CE2-CG 4.26Å; Y63-K127 HydrophobicContact CD1-CB 3.82Å; Y63-K127 HydrophobicContact CE1-CB 3.38Å; Y63-K127 HydrophobicContact CE1-CG 4.07Å; Y63-K127 HydrophobicContact CE2-CB 4.26Å; Y63-K127 HydrophobicContact CE2-CG 4.2Å; Y63-K127 HydrophobicContact CG-CB 4.42Å; Y63-K127 PolarHBondContact N-O 3.33Å; Y63-K127 PolarHBondContact O-N 2.9Å
64I95Very high94.8Very high0 Ų050.5 Ų50.50%024%0.244CC..EExtended strand (participates in β ladder)trans-106146169.6-168.4171.4000110Y67 F87 V89 F98 I121 Q125 F126I64-Y67 HydrophobicContact CG2-CD1 4.15Å; I64-Y67 HydrophobicContact CG2-CG 4.47Å; I64-Y67 VanDerWaalsContact O-CD1 3.26Å; I64-Y67 WeakPolarHBondContact O-CD1 3.45Å; I64-F87 HydrophobicContact CG2-CB 4.01Å; I64-F87 HydrophobicContact CG2-CD1 3.96Å; I64-F87 HydrophobicContact CG2-CD2 4.41Å; I64-F87 HydrophobicContact CG2-CG 3.88Å; I64-V89 HydrophobicContact CD1-CG1 4.12Å; I64-V89 HydrophobicContact CG2-CG1 4.19Å; I64-F98 HydrophobicContact CB-CE2 4.47Å; I64-F98 HydrophobicContact CB-CZ 3.88Å; I64-F98 HydrophobicContact CD1-CE1 3.96Å; I64-F98 HydrophobicContact CD1-CZ 3.5Å; I64-F98 HydrophobicContact CG1-CZ 4.25Å; I64-F98 HydrophobicContact CG2-CE2 4.47Å; I64-F98 HydrophobicContact CG2-CZ 3.73Å; I64-I121 HydrophobicContact CD1-CD1 3.91Å; I64-I121 HydrophobicContact CD1-CG2 3.71Å; I64-Q125 HydrophobicContact CD1-CB 4.34Å; I64-Q125 HydrophobicContact CG1-CB 3.95Å; I64-F126 HydrophobicContact CB-CD1 4.23Å; I64-F126 HydrophobicContact CB-CE1 4.35Å; I64-F126 HydrophobicContact CD1-CD1 4.25Å; I64-F126 HydrophobicContact CD1-CE1 3.73Å; I64-F126 HydrophobicContact CD1-CZ 3.96Å; I64-F126 HydrophobicContact CG1-CD1 4.16Å; I64-F126 HydrophobicContact CG1-CE1 4.14Å
65Q93Very high95.2Very high77 Ų7745 Ų4536%0.3621%0.21SC..THydrogen-bonded Turntrans-73.4150.5168.9-66.6-177.8-5100111.3Y63 Y67 Q125 K127Y63-Q65 HydrophobicContact CE2-CG 4.26Å; Q65-Y67 PolarHBondContact O-N 2.83Å; Q65-Q125 PolarHBondContact N-O 3.19Å; Q65-K127 VanDerWaalsContact CD-CE 3.48Å; Q65-K127 HydrophobicContact CG-CG 4.15Å
66N89.7Confident95.5Very high141 Ų14143.3 Ų43.375%0.75420%0.203SC*.THydrogen-bonded Turntrans59.335.8172.7-49.3-32.5000115.3
67Y93.3Very high95.6Very high63 Ų6342.8 Ų42.825%0.24720%0.201CC..  trans-70.7150.2168.860.1-91.5000111.8I64 Q65 Y70 F87I64-Y67 HydrophobicContact CG2-CD1 4.15Å; I64-Y67 HydrophobicContact CG2-CG 4.47Å; I64-Y67 VanDerWaalsContact O-CD1 3.26Å; I64-Y67 WeakPolarHBondContact O-CD1 3.45Å; Q65-Y67 PolarHBondContact O-N 2.83Å; Y67-Y70 HydrophobicContact CD2-CD1 4.32Å; Y67-Y70 AromaticContact CE2-CD1 3.58Å; Y67-Y70 HydrophobicContact CE2-CD1 3.58Å; Y67-Y70 HydrophobicContact CE2-CE1 4.4Å; Y67-Y70 HydrophobicContact CE2-CG 4.25Å; Y67-F87 AromaticContact CD1-CD1 3.89Å; Y67-F87 HydrophobicContact CD1-CD1 3.89Å; Y67-F87 AromaticContact CD1-CE1 3.93Å; Y67-F87 HydrophobicContact CD1-CE1 3.93Å; Y67-F87 HydrophobicContact CD2-CD1 4.35Å; Y67-F87 HydrophobicContact CE1-CD1 4.49Å; Y67-F87 HydrophobicContact CE1-CE1 4.11Å; Y67-F87 AromaticContact CG-CD1 3.81Å; Y67-F87 HydrophobicContact CG-CD1 3.81Å; Y67-F87 HydrophobicContact CG-CE1 4.24Å
68E93.7Very high95.5Very high105 Ų10548.7 Ų48.749%0.49123%0.233SC..SBendtrans-87.2-42.8176.1-62.5-169.916000111.2S88 N90E68-S88 PolarHBondContact N-O 3.25Å; E68-N90 VanDerWaalsContact OE1-CB 3.28Å; E68-N90 WeakPolarHBondContact OE1-CB 3.22Å
69K94.3Very high95.4Very high117 Ų11750.7 Ų50.751%0.50925%0.253SS..EExtended strand (participates in β ladder)trans-139.4154.8-179.7-56.9172.6-167.6142.70110S88 E95K69-S88 PolarHBondContact N-O 3.17Å; K69-S88 PolarHBondContact O-N 3.26Å; K69-E95 IonicContact NZ-OE2 2.81Å; K69-E95 PolarHBondContact NZ-OE2 2.69Å
70Y94.6Very high95.4Very high71 Ų7150 Ų5028%0.27825%0.25SC..EExtended strand (participates in β ladder)trans-140.6149.1168.178.6-80.5000110.6G21 Y67 A72 N86G21-Y70 PolarHBondContact O-OH 3.4Å; Y67-Y70 HydrophobicContact CD2-CD1 4.32Å; Y67-Y70 AromaticContact CE2-CD1 3.58Å; Y67-Y70 HydrophobicContact CE2-CD1 3.58Å; Y67-Y70 HydrophobicContact CE2-CE1 4.4Å; Y67-Y70 HydrophobicContact CE2-CG 4.25Å; Y70-A72 HydrophobicContact CD2-CB 4.16Å; Y70-A72 HydrophobicContact CE2-CB 4.28Å; Y70-N86 CarbonylContact C-O 3.6Å; Y70-N86 VanDerWaalsContact CA-O 3.23Å; Y70-N86 WeakPolarHBondContact CA-O 3.44Å
71E95.4Very high95.4Very high124 Ų12450 Ų5058%0.57925%0.25SC*.EExtended strand (participates in β ladder)trans-126133.1163.7-64.9-164.715200108.7R85 N86E71-R85 CarbonylContact O-C 3.58Å; E71-R85 WeakPolarHBondContact O-CA 3.25Å; E71-N86 PolarHBondContact N-O 3.35Å; E71-N86 PolarHBondContact O-N 3.04Å
72A96.4Very high95.5Very high4 Ų449.9 Ų49.93%0.03325%0.249CC..EExtended strand (participates in β ladder)trans-131.4132.9-178.300000111.5K19 I20 Y70 V83 Q84 R85K19-A72 WeakPolarHBondContact CA-O 3.22Å; I20-A72 HydrophobicContact CB-CB 4.2Å; I20-A72 HydrophobicContact CD1-CB 3.7Å; I20-A72 HydrophobicContact CG1-CB 4.25Å; I20-A72 PolarHBondContact N-O 3.21Å; Y70-A72 HydrophobicContact CD2-CB 4.16Å; Y70-A72 HydrophobicContact CE2-CB 4.28Å; A72-V83 HydrophobicContact CB-CG2 4.38Å; A72-Q84 WeakPolarHBondContact CA-O 3.03Å; A72-R85 HydrophobicContact CB-CG 3.84Å
73V97.1Very high95.6Very high29 Ų2949.9 Ų49.918%0.17625%0.249CC..EExtended strand (participates in β ladder)trans-128.6136.3-178.6-75.70000110.7F16 N18 K19 V83 Q84F16-V73 HydrophobicContact CB-CB 3.83Å; F16-V73 HydrophobicContact CB-CG2 3.45Å; F16-V73 VanDerWaalsContact CB-CG2 3.45Å; F16-V73 WeakPolarHBondContact CD1-O 3.45Å; F16-V73 HydrophobicContact CG-CG2 4.31Å; N18-V73 CarbonylContact O-C 3.56Å; N18-V73 WeakPolarHBondContact O-CA 3.48Å; K19-V73 HydrophobicContact CG-CG1 3.93Å; V73-V83 WeakPolarHBondContact O-CA 3.05Å; V73-Q84 HydrophobicContact CG2-CB 4.12Å; V73-Q84 PolarHBondContact N-O 3.44Å; V73-Q84 PolarHBondContact O-N 3.44Å
74V97.9Very high95.7Very high0 Ų048.4 Ų48.40%024%0.244CC..EExtended strand (participates in β ladder)trans-107.3140.4-174.6175.70000111K17 N18 I20 Y24 V26 F44 L81 G82 V83K17-V74 PolarHBondContact N-O 2.98Å; N18-V74 HydrophobicContact CB-CB 4.24Å; N18-V74 PolarHBondContact N-O 3.31Å; N18-V74 PolarHBondContact ND2-O 3.39Å; N18-V74 PolarHBondContact O-N 2.87Å; I20-V74 HydrophobicContact CD1-CG2 3.5Å; I20-V74 HydrophobicContact CG1-CG2 3.59Å; Y24-V74 HydrophobicContact CD1-CB 4.24Å; Y24-V74 HydrophobicContact CD1-CG1 4.27Å; Y24-V74 HydrophobicContact CD1-CG2 4.1Å; Y24-V74 HydrophobicContact CE1-CB 4.34Å; Y24-V74 HydrophobicContact CE1-CG1 4.25Å; V26-V74 HydrophobicContact CG1-CG1 4.15Å; F44-V74 HydrophobicContact CB-CG2 4.4Å; F44-V74 HydrophobicContact CD1-CG2 4.29Å; F44-V74 HydrophobicContact CD2-CG1 4.21Å; F44-V74 HydrophobicContact CD2-CG2 3.85Å; F44-V74 HydrophobicContact CE2-CG1 3.77Å; F44-V74 HydrophobicContact CE2-CG2 4.16Å; F44-V74 HydrophobicContact CG-CG2 3.93Å; F44-V74 HydrophobicContact CZ-CG1 4.18Å; V74-L81 HydrophobicContact CG1-CD1 4.49Å; V74-G82 WeakPolarHBondContact CA-O 3.49Å; V74-V83 HydrophobicContact CG2-CB 4.34Å; V74-V83 HydrophobicContact CG2-CG2 4.2Å
75L97.8Very high95.7Very high3 Ų348.4 Ų48.42%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-111.3125.2171.3171.265.8000108.7V11 R15 F16 E77 L80 L81 G82V11-L75 HydrophobicContact CG1-CD2 4.04Å; R15-L75 HydrophobicContact CB-CD1 4.05Å; R15-L75 WeakPolarHBondContact O-CD1 3.43Å; F16-L75 HydrophobicContact CD1-CB 3.51Å; F16-L75 HydrophobicContact CE1-CB 3.68Å; F16-L75 HydrophobicContact CE1-CD2 4.3Å; F16-L75 HydrophobicContact CG-CB 4.1Å; F16-L75 HydrophobicContact CZ-CB 4.38Å; F16-L75 HydrophobicContact CZ-CD2 4.21Å; L75-E77 HydrophobicContact CD1-CG 3.69Å; L75-E77 VanDerWaalsContact CD1-OE1 3.22Å; L75-E77 WeakPolarHBondContact CD1-OE1 3.27Å; L75-L80 HydrophobicContact CD2-CB 4.39Å; L75-L80 HydrophobicContact CD2-CD2 3.77Å; L75-L80 HydrophobicContact CD2-CG 4.06Å; L75-L81 CarbonylContact O-C 3.52Å; L75-L81 WeakPolarHBondContact O-CA 3.47Å; L75-L81 VanDerWaalsContact O-CD1 3.29Å; L75-L81 WeakPolarHBondContact O-CD1 3.45Å; L75-G82 PolarHBondContact N-O 3.13Å; L75-G82 PolarHBondContact O-N 3.35Å
76N97.7Very high95.9Very high26 Ų2646.9 Ų46.914%0.13924%0.238CC..EExtended strand (participates in β ladder)trans-137.799.4173.5-176.920.1000110.5Y27 K29 L81Y27-N76 PolarHBondContact O-ND2 3.34Å; K29-N76 WeakPolarHBondContact CD-O 3.26Å; K29-N76 VanDerWaalsContact CE-O 3.32Å; K29-N76 WeakPolarHBondContact CE-O 3.29Å; K29-N76 PolarHBondContact N-OD1 3.48Å; K29-N76 PolarHBondContact NZ-O 3.31Å; N76-L81 HydrophobicContact CB-CD1 4.11Å
77E96.8Very high96.2Very high69 Ų6940.1 Ų40.132%0.32220%0.202SC..EExtended strand (participates in β ladder)trans-129.9165.9-177.3-67.2-177.6-165.800111R15 F30 L75 G79 L80R15-E77 IonicContact CZ-OE2 3.84Å; R15-E77 IonicContact NE-OE1 2.73Å; R15-E77 IonicContact NE-OE2 3.53Å; R15-E77 IonicContact NH2-OE1 2.81Å; R15-E77 IonicContact NH2-OE2 3.61Å; R15-E77 PolarHBondContact NH2-OE2 2.95Å; F30-E77 VanDerWaalsContact CD1-O 3.23Å; F30-E77 WeakPolarHBondContact CD1-O 3.37Å; F30-E77 WeakPolarHBondContact CE1-O 3.3Å; L75-E77 HydrophobicContact CD1-CG 3.69Å; L75-E77 VanDerWaalsContact CD1-OE1 3.22Å; L75-E77 WeakPolarHBondContact CD1-OE1 3.27Å; E77-G79 PolarHBondContact O-N 2.94Å; E77-L80 PolarHBondContact N-O 2.98Å; E77-L80 PolarHBondContact O-N 2.97Å
78N93.8Very high96.4Very high124 Ų12437.9 Ų37.966%0.66320%0.196SC*.THydrogen-bonded Turntrans-61-16.1-174.7-65.62.6000114.7K29 F30K29-N78 WeakPolarHBondContact CB-OD1 3.43Å; F30-N78 WeakPolarHBondContact CB-O 3.46Å
79G93.7Very high96.4Very high43 Ų4333.2 Ų33.244%0.44317%0.174SC..THydrogen-bonded Turntrans-123.91.7179.900000114.3E77 P106E77-G79 PolarHBondContact O-N 2.94Å; G79-P106 VanDerWaalsContact O-CD 3.27Å; G79-P106 WeakPolarHBondContact O-CD 3.23Å
80L97.7Very high96.4Very high11 Ų1131.6 Ų31.66%0.05817%0.171CC..EExtended strand (participates in β ladder)trans-162.6128.7-173.7-160.960.4000112.1V11 F30 L75 E77 L103 H105V11-L80 HydrophobicContact CG1-CD2 4.32Å; V11-L80 HydrophobicContact CG2-CD2 3.59Å; F30-L80 VanDerWaalsContact CE1-C 3.48Å; L75-L80 HydrophobicContact CD2-CB 4.39Å; L75-L80 HydrophobicContact CD2-CD2 3.77Å; L75-L80 HydrophobicContact CD2-CG 4.06Å; E77-L80 PolarHBondContact N-O 2.98Å; E77-L80 PolarHBondContact O-N 2.97Å; L80-L103 HydrophobicContact CD1-CB 4.25Å; L80-L103 HydrophobicContact CD1-CD2 4.45Å; L80-L103 HydrophobicContact CD2-CD2 4.18Å; L80-L103 HydrophobicContact CG-CD2 4.35Å; L80-H105 VanDerWaalsContact CD1-CE1 3.49Å; L80-H105 WeakPolarHBondContact CD1-CE1 3.23Å
81L98.3Very high96.1Very high0 Ų029.2 Ų29.20%016%0.164CC..EExtended strand (participates in β ladder)trans-113.9138.8167.7172.461.8000107.6V26 P28 F30 F32 V42 F44 V74 L75 N76 L103 I104V26-L81 HydrophobicContact CG2-CD1 3.91Å; V26-L81 HydrophobicContact CG2-CD2 4.28Å; P28-L81 HydrophobicContact CB-CD2 4.39Å; P28-L81 HydrophobicContact CG-CD2 4.08Å; F30-L81 HydrophobicContact CE1-CB 3.9Å; F30-L81 HydrophobicContact CZ-CB 3.7Å; F32-L81 HydrophobicContact CE1-CD2 4.49Å; V42-L81 HydrophobicContact CB-CD2 4.29Å; V42-L81 HydrophobicContact CG2-CD2 3.9Å; F44-L81 HydrophobicContact CE2-CD1 4.09Å; F44-L81 HydrophobicContact CZ-CD1 3.78Å; F44-L81 HydrophobicContact CZ-CD2 4.43Å; F44-L81 HydrophobicContact CZ-CG 4.17Å; V74-L81 HydrophobicContact CG1-CD1 4.49Å; L75-L81 CarbonylContact O-C 3.52Å; L75-L81 WeakPolarHBondContact O-CA 3.47Å; L75-L81 VanDerWaalsContact O-CD1 3.29Å; L75-L81 WeakPolarHBondContact O-CD1 3.45Å; N76-L81 HydrophobicContact CB-CD1 4.11Å; L81-L103 CarbonylContact O-C 3.54Å; L81-I104 HydrophobicContact CB-CB 4.25Å; L81-I104 HydrophobicContact CD2-CD1 4.16Å; L81-I104 HydrophobicContact CG-CD1 4.46Å; L81-I104 PolarHBondContact N-O 3.1Å; L81-I104 PolarHBondContact O-N 3.26Å
82G97.7Very high95.9Very high1 Ų130.5 Ų30.51%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-165.5165.3177.700000113.9V74 L75 I102V74-G82 WeakPolarHBondContact CA-O 3.49Å; L75-G82 PolarHBondContact N-O 3.13Å; L75-G82 PolarHBondContact O-N 3.35Å; G82-I102 CarbonylContact C-O 3.52Å; G82-I102 WeakPolarHBondContact CA-O 3.11Å
83V97.9Very high95.6Very high0 Ų033.3 Ų33.30%020%0.204CC..EExtended strand (participates in β ladder)trans-134.9132.817257.80000108.8I20 F44 A72 V73 V74 R85 T101 I102I20-V83 HydrophobicContact CD1-CG2 3.74Å; F44-V83 HydrophobicContact CD1-CB 3.7Å; F44-V83 HydrophobicContact CD1-CG1 3.74Å; F44-V83 HydrophobicContact CD1-CG2 4.16Å; F44-V83 HydrophobicContact CE1-CB 3.67Å; F44-V83 HydrophobicContact CE1-CG1 3.65Å; A72-V83 HydrophobicContact CB-CG2 4.38Å; V73-V83 WeakPolarHBondContact O-CA 3.05Å; V74-V83 HydrophobicContact CG2-CB 4.34Å; V74-V83 HydrophobicContact CG2-CG2 4.2Å; V83-R85 HydrophobicContact CG2-CG 4.18Å; V83-T101 CarbonylContact O-C 3.51Å; V83-T101 WeakPolarHBondContact O-CA 3.49Å; V83-I102 HydrophobicContact CG1-CB 3.92Å; V83-I102 HydrophobicContact CG1-CD1 3.88Å; V83-I102 HydrophobicContact CG1-CG1 4.08Å; V83-I102 PolarHBondContact N-O 3.36Å; V83-I102 PolarHBondContact O-N 2.91Å
84Q97.1Very high95.4Very high9 Ų935.5 Ų35.54%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-111130172.1177.2173.791.200108.2S13 F16 A72 V73 T99 T101S13-Q84 PolarHBondContact OG-NE2 3.26Å; S13-Q84 PolarHBondContact OG-OE1 3.32Å; F16-Q84 HydrophobicContact CD1-CB 3.83Å; F16-Q84 HydrophobicContact CD2-CB 4.24Å; F16-Q84 HydrophobicContact CE1-CB 3.93Å; F16-Q84 HydrophobicContact CE2-CB 4.33Å; F16-Q84 HydrophobicContact CG-CB 3.99Å; F16-Q84 HydrophobicContact CZ-CB 4.18Å; A72-Q84 WeakPolarHBondContact CA-O 3.03Å; V73-Q84 HydrophobicContact CG2-CB 4.12Å; V73-Q84 PolarHBondContact N-O 3.44Å; V73-Q84 PolarHBondContact O-N 3.44Å; Q84-T99 HydrophobicContact CG-CG2 3.37Å; Q84-T101 HydrophobicContact CB-CG2 4.35Å
85R96.7Very high95.2Very high0 Ų040.2 Ų40.20%024%0.242CC..EExtended strand (participates in β ladder)trans-120.7127.7179.1-62.5-169172.377.84.5110.6Y45 S46 E49 E71 A72 V83 F87 T99 M100Y45-R85 PolarHBondContact O-NH2 2.96Å; S46-R85 WeakPolarHBondContact O-CD 3.31Å; S46-R85 PolarHBondContact O-NE 3.49Å; E49-R85 IonicContact OE1-CZ 3.26Å; E49-R85 IonicContact OE1-NH1 3.2Å; E49-R85 PolarHBondContact OE1-NH1 3.27Å; E49-R85 IonicContact OE1-NH2 2.63Å; E49-R85 PolarHBondContact OE1-NH2 2.78Å; E71-R85 CarbonylContact O-C 3.58Å; E71-R85 WeakPolarHBondContact O-CA 3.25Å; A72-R85 HydrophobicContact CB-CG 3.84Å; V83-R85 HydrophobicContact CG2-CG 4.18Å; R85-F87 HydrophobicContact CB-CD2 4.17Å; R85-F87 HydrophobicContact CB-CE2 3.58Å; R85-F87 HydrophobicContact CB-CZ 3.93Å; R85-F87 VanDerWaalsContact CD-CZ 3.49Å; R85-F87 HydrophobicContact CG-CE2 4.41Å; R85-F87 HydrophobicContact CG-CZ 4.38Å; R85-T99 CarbonylContact O-C 3.58Å; R85-T99 VanDerWaalsContact O-CA 3.26Å; R85-T99 WeakPolarHBondContact O-CA 3.04Å; R85-M100 PolarHBondContact N-O 3.44Å; R85-M100 PolarHBondContact O-N 3.28Å
86N96.4Very high95.1Very high44 Ų4442.3 Ų42.324%0.23526%0.255CS..EExtended strand (participates in β ladder)trans-98.5120.6167-63.1-29.7000107.7Y70 E71 T97 F98 T99Y70-N86 CarbonylContact C-O 3.6Å; Y70-N86 VanDerWaalsContact CA-O 3.23Å; Y70-N86 WeakPolarHBondContact CA-O 3.44Å; E71-N86 PolarHBondContact N-O 3.35Å; E71-N86 PolarHBondContact O-N 3.04Å; N86-T97 HydrophobicContact CB-CG2 4.08Å; N86-F98 CarbonylContact C-O 3.56Å; N86-F98 VanDerWaalsContact CA-O 3.32Å; N86-F98 WeakPolarHBondContact CA-O 3.38Å; N86-T99 WeakPolarHBondContact OD1-CB 3.46Å; N86-T99 WeakPolarHBondContact OD1-CG2 3.15Å; N86-T99 PolarHBondContact OD1-OG1 2.93Å
87F96.3Very high95.1Very high0 Ų044.2 Ų44.20%027%0.268CS..EExtended strand (participates in β ladder)trans-106.3132.8175.6-68.1-77.2000109.1I64 Y67 R85 T97 F98 M100I64-F87 HydrophobicContact CG2-CB 4.01Å; I64-F87 HydrophobicContact CG2-CD1 3.96Å; I64-F87 HydrophobicContact CG2-CD2 4.41Å; I64-F87 HydrophobicContact CG2-CG 3.88Å; Y67-F87 AromaticContact CD1-CD1 3.89Å; Y67-F87 HydrophobicContact CD1-CD1 3.89Å; Y67-F87 AromaticContact CD1-CE1 3.93Å; Y67-F87 HydrophobicContact CD1-CE1 3.93Å; Y67-F87 HydrophobicContact CD2-CD1 4.35Å; Y67-F87 HydrophobicContact CE1-CD1 4.49Å; Y67-F87 HydrophobicContact CE1-CE1 4.11Å; Y67-F87 AromaticContact CG-CD1 3.81Å; Y67-F87 HydrophobicContact CG-CD1 3.81Å; Y67-F87 HydrophobicContact CG-CE1 4.24Å; R85-F87 HydrophobicContact CB-CD2 4.17Å; R85-F87 HydrophobicContact CB-CE2 3.58Å; R85-F87 HydrophobicContact CB-CZ 3.93Å; R85-F87 VanDerWaalsContact CD-CZ 3.49Å; R85-F87 HydrophobicContact CG-CE2 4.41Å; R85-F87 HydrophobicContact CG-CZ 4.38Å; F87-T97 VanDerWaalsContact O-CA 3.25Å; F87-T97 WeakPolarHBondContact O-CA 3.15Å; F87-F98 HydrophobicContact CB-CD2 4.42Å; F87-F98 HydrophobicContact CB-CE1 4.14Å; F87-F98 HydrophobicContact CB-CE2 3.87Å; F87-F98 HydrophobicContact CB-CZ 3.72Å; F87-F98 AromaticContact CD2-CE2 3.95Å; F87-F98 HydrophobicContact CD2-CE2 3.95Å; F87-F98 HydrophobicContact CD2-CZ 4.48Å; F87-F98 HydrophobicContact CG-CE2 4.3Å; F87-F98 HydrophobicContact CG-CZ 4.41Å; F87-F98 PolarHBondContact N-O 3.32Å; F87-F98 PolarHBondContact O-N 2Å; F87-M100 HydrophobicContact CD2-CB 4.42Å; F87-M100 HydrophobicContact CD2-CG 4.01Å; F87-M100 HydrophobicContact CD2-SD 3.72Å; F87-M100 HydrophobicContact CE2-CB 4.1Å; F87-M100 HydrophobicContact CE2-CG 4.04Å; F87-M100 HydrophobicContact CE2-SD 3.55Å; F87-M100 VanDerWaalsContact CE2-SD 3.55Å
88S96.3Very high95.1Very high16 Ų1641 Ų4111%0.11225%0.253CS..EExtended strand (participates in β ladder)trans-106.4127.6171.4-53.30000109.2E68 K69 V96 T97E68-S88 PolarHBondContact N-O 3.25Å; K69-S88 PolarHBondContact N-O 3.17Å; K69-S88 PolarHBondContact O-N 3.26Å; S88-V96 WeakPolarHBondContact CA-O 3.03Å; S88-T97 PolarHBondContact OG-OG1 3.45Å
89V94.9Very high95.2Very high7 Ų736 Ų364%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-133.7149.8-179.1-55.90000110.5I64 V91 V96 F98 I121I64-V89 HydrophobicContact CD1-CG1 4.12Å; I64-V89 HydrophobicContact CG2-CG1 4.19Å; V89-V91 HydrophobicContact CG2-CG2 3.97Å; V89-V96 PolarHBondContact N-O 2.79Å; V89-V96 PolarHBondContact O-N 2.99Å; V89-F98 HydrophobicContact CG1-CE1 3.87Å; V89-F98 HydrophobicContact CG1-CZ 4.37Å; V89-F98 HydrophobicContact CG2-CD1 4.41Å; V89-F98 HydrophobicContact CG2-CE1 3.82Å; V89-I121 HydrophobicContact CG2-CD1 3.62Å; V89-I121 HydrophobicContact CG2-CG1 4.49Å
90N92.9Very high95.4Very high83 Ų8334 Ų3444%0.44421%0.206SC..EExtended strand (participates in β ladder)trans-85.6116.9174.3-167.7-57000110.6E68 G93 S94E68-N90 VanDerWaalsContact OE1-CB 3.28Å; E68-N90 WeakPolarHBondContact OE1-CB 3.22Å; N90-G93 WeakPolarHBondContact OD1-CA 3.46Å; N90-G93 PolarHBondContact OD1-N 3.39Å; N90-S94 WeakPolarHBondContact CA-O 3.48Å
91V89.8Confident95.4Very high20 Ų2033.6 Ų33.612%0.12120%0.204CC..EExtended strand (participates in β ladder)trans-114.1113.6172.3-176.80000107.7V89 G93 S94 V96 E120 I121V89-V91 HydrophobicContact CG2-CG2 3.97Å; V91-G93 PolarHBondContact O-N 3.25Å; V91-G93 VanDerWaalsContact O-N 3.14Å; V91-S94 PolarHBondContact N-O 3.22Å; V91-S94 PolarHBondContact O-N 3.17Å; V91-V96 HydrophobicContact CB-CG2 3.99Å; V91-V96 HydrophobicContact CG2-CB 4.25Å; V91-V96 HydrophobicContact CG2-CG2 3.98Å; V91-E120 HydrophobicContact CG1-CB 3.57Å; V91-E120 HydrophobicContact CG1-CG 4.03Å; V91-I121 HydrophobicContact CG2-CD1 4.43Å; V91-I121 HydrophobicContact CG2-CG1 4.08Å
92N89.8Confident95.4Very high151 Ų15133.7 Ų33.781%0.80721%0.205SC*.THydrogen-bonded Turntrans5238176.2-58.4-32.5000113.9
93G90.7Very high95.4Very high63 Ų6333.9 Ų33.965%0.64921%0.205SC*.THydrogen-bonded Turntrans87-1.1179.600000115N90 V91N90-G93 WeakPolarHBondContact OD1-CA 3.46Å; N90-G93 PolarHBondContact OD1-N 3.39Å; V91-G93 PolarHBondContact O-N 3.25Å; V91-G93 VanDerWaalsContact O-N 3.14Å
94S93.1Very high95.5Very high75 Ų7534.1 Ų34.152%0.52421%0.207SC..EExtended strand (participates in β ladder)trans-111.8135.9176.5-600000111.1N90 V91 V96N90-S94 WeakPolarHBondContact CA-O 3.48Å; V91-S94 PolarHBondContact N-O 3.22Å; V91-S94 PolarHBondContact O-N 3.17Å; S94-V96 PolarHBondContact O-N 3.33Å
95E94.6Very high95.4Very high99 Ų9935.8 Ų35.846%0.46321%0.214SC..EExtended strand (participates in β ladder)trans-74.3121.2172.6-170.7-178.674.600109K69K69-E95 IonicContact NZ-OE2 2.81Å; K69-E95 PolarHBondContact NZ-OE2 2.69Å
96V95.4Very high95.3Very high47 Ų4738.6 Ų38.629%0.28523%0.233SC..EExtended strand (participates in β ladder)trans-117134.3176-172.60000108.6S88 V89 V91 S94 P118S88-V96 WeakPolarHBondContact CA-O 3.03Å; V89-V96 PolarHBondContact N-O 2.79Å; V89-V96 PolarHBondContact O-N 2.99Å; V91-V96 HydrophobicContact CB-CG2 3.99Å; V91-V96 HydrophobicContact CG2-CB 4.25Å; V91-V96 HydrophobicContact CG2-CG2 3.98Å; S94-V96 PolarHBondContact O-N 3.33Å; V96-P118 HydrophobicContact CB-CG 4.17Å; V96-P118 HydrophobicContact CG1-CB 4.34Å; V96-P118 HydrophobicContact CG1-CG 3.4Å
97T96.6Very high95.1Very high67 Ų6740.5 Ų40.541%0.41125%0.249SC..EExtended strand (participates in β ladder)trans-114.1137.6179.9-61.10000110.8N86 F87 S88N86-T97 HydrophobicContact CB-CG2 4.08Å; F87-T97 VanDerWaalsContact O-CA 3.25Å; F87-T97 WeakPolarHBondContact O-CA 3.15Å; S88-T97 PolarHBondContact OG-OG1 3.45Å
98F96.8Very high94.9Very high1 Ų140.9 Ų40.90%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-144.1164.5178.563.5-96.3000111.3I64 N86 F87 V89 M100 D115 N116 I117 P118 I121 F126I64-F98 HydrophobicContact CB-CE2 4.47Å; I64-F98 HydrophobicContact CB-CZ 3.88Å; I64-F98 HydrophobicContact CD1-CE1 3.96Å; I64-F98 HydrophobicContact CD1-CZ 3.5Å; I64-F98 HydrophobicContact CG1-CZ 4.25Å; I64-F98 HydrophobicContact CG2-CE2 4.47Å; I64-F98 HydrophobicContact CG2-CZ 3.73Å; N86-F98 CarbonylContact C-O 3.56Å; N86-F98 VanDerWaalsContact CA-O 3.32Å; N86-F98 WeakPolarHBondContact CA-O 3.38Å; F87-F98 HydrophobicContact CB-CD2 4.42Å; F87-F98 HydrophobicContact CB-CE1 4.14Å; F87-F98 HydrophobicContact CB-CE2 3.87Å; F87-F98 HydrophobicContact CB-CZ 3.72Å; F87-F98 AromaticContact CD2-CE2 3.95Å; F87-F98 HydrophobicContact CD2-CE2 3.95Å; F87-F98 HydrophobicContact CD2-CZ 4.48Å; F87-F98 HydrophobicContact CG-CE2 4.3Å; F87-F98 HydrophobicContact CG-CZ 4.41Å; F87-F98 PolarHBondContact N-O 3.32Å; F87-F98 PolarHBondContact O-N 2Å; V89-F98 HydrophobicContact CG1-CE1 3.87Å; V89-F98 HydrophobicContact CG1-CZ 4.37Å; V89-F98 HydrophobicContact CG2-CD1 4.41Å; V89-F98 HydrophobicContact CG2-CE1 3.82Å; F98-M100 HydrophobicContact CD2-CG 4.1Å; F98-M100 HydrophobicContact CE2-CG 3.93Å; F98-M100 HydrophobicContact CE2-SD 3.85Å; F98-D115 WeakPolarHBondContact CB-O 3.27Å; F98-N116 HydrophobicContact CB-CB 4.37Å; F98-N116 WeakPolarHBondContact CB-O 3.34Å; F98-I117 HydrophobicContact CB-CD1 4.19Å; F98-I117 HydrophobicContact CD2-CD1 3.37Å; F98-I117 HydrophobicContact CE2-CD1 3.96Å; F98-I117 HydrophobicContact CG-CD1 3.97Å; F98-P118 HydrophobicContact CD1-CG 4.26Å; F98-I121 HydrophobicContact CD1-CD1 4.35Å; F98-I121 HydrophobicContact CE1-CD1 3.81Å; F98-F126 AromaticContact CE2-CE1 3.84Å; F98-F126 HydrophobicContact CE2-CE1 3.84Å; F98-F126 AromaticContact CZ-CE1 3.85Å; F98-F126 HydrophobicContact CZ-CE1 3.85Å
99T97.2Very high94.7Very high19 Ų1942.6 Ų42.612%0.11726%0.259CS..EExtended strand (participates in β ladder)trans-118.8133.4-169.9-52.90000111.6Q84 R85 N86 D115Q84-T99 HydrophobicContact CG-CG2 3.37Å; R85-T99 CarbonylContact O-C 3.58Å; R85-T99 VanDerWaalsContact O-CA 3.26Å; R85-T99 WeakPolarHBondContact O-CA 3.04Å; N86-T99 WeakPolarHBondContact OD1-CB 3.46Å; N86-T99 WeakPolarHBondContact OD1-CG2 3.15Å; N86-T99 PolarHBondContact OD1-OG1 2.93Å; T99-D115 PolarHBondContact N-O 2.99Å; T99-D115 PolarHBondContact O-N 3.06Å
100M97.5Very high94.9Very high0 Ų042.7 Ų42.70%026%0.259CS..EExtended strand (participates in β ladder)trans-123.3123.7173-57-179.778.500108.8N62 R85 F87 F98 Y114 I117 F126N62-M100 VanDerWaalsContact OD1-CE 3.23Å; N62-M100 WeakPolarHBondContact OD1-CE 3.24Å; R85-M100 PolarHBondContact N-O 3.44Å; R85-M100 PolarHBondContact O-N 3.28Å; F87-M100 HydrophobicContact CD2-CB 4.42Å; F87-M100 HydrophobicContact CD2-CG 4.01Å; F87-M100 HydrophobicContact CD2-SD 3.72Å; F87-M100 HydrophobicContact CE2-CB 4.1Å; F87-M100 HydrophobicContact CE2-CG 4.04Å; F87-M100 HydrophobicContact CE2-SD 3.55Å; F87-M100 VanDerWaalsContact CE2-SD 3.55Å; F98-M100 HydrophobicContact CD2-CG 4.1Å; F98-M100 HydrophobicContact CE2-CG 3.93Å; F98-M100 HydrophobicContact CE2-SD 3.85Å; M100-Y114 HydrophobicContact CE-CD1 3.85Å; M100-Y114 HydrophobicContact CE-CE1 3.55Å; M100-Y114 HydrophobicContact CG-CD1 4.21Å; M100-I117 HydrophobicContact CG-CD1 4.49Å; M100-F126 HydrophobicContact CE-CD1 4.24Å; M100-F126 HydrophobicContact SD-CD1 4.45Å
101T97.8Very high95.1Very high3 Ų338.9 Ų38.92%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-118.9139.7-176.1-53.90000110.8F16 N62 V83 Q84 L103 F112 Y113F16-T101 HydrophobicContact CE1-CG2 4.33Å; F16-T101 HydrophobicContact CZ-CG2 3.83Å; N62-T101 PolarHBondContact ND2-O 2.63Å; V83-T101 CarbonylContact O-C 3.51Å; V83-T101 WeakPolarHBondContact O-CA 3.49Å; Q84-T101 HydrophobicContact CB-CG2 4.35Å; T101-L103 HydrophobicContact CG2-CD2 4.04Å; T101-L103 HydrophobicContact CG2-CG 4.14Å; T101-F112 WeakPolarHBondContact O-CA 3.47Å; T101-Y113 PolarHBondContact N-O 3.2Å; T101-Y113 PolarHBondContact O-N 2.81Å
102I98.2Very high95.5Very high3 Ų337.9 Ų37.92%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-115.2134168.8-50.6174.7000107.8E49 I60 N62 G82 V83 I104 I110 S111 F112E49-I102 WeakPolarHBondContact OE1-CD1 3.42Å; E49-I102 WeakPolarHBondContact OE2-CD1 2.7Å; I60-I102 HydrophobicContact CG2-CD1 3.9Å; I60-I102 HydrophobicContact CG2-CG2 4.32Å; N62-I102 HydrophobicContact CB-CD1 3.56Å; N62-I102 HydrophobicContact CB-CG1 3.61Å; G82-I102 CarbonylContact C-O 3.52Å; G82-I102 WeakPolarHBondContact CA-O 3.11Å; V83-I102 HydrophobicContact CG1-CB 3.92Å; V83-I102 HydrophobicContact CG1-CD1 3.88Å; V83-I102 HydrophobicContact CG1-CG1 4.08Å; V83-I102 PolarHBondContact N-O 3.36Å; V83-I102 PolarHBondContact O-N 2.91Å; I102-I104 HydrophobicContact CG2-CG1 4.48Å; I102-I110 HydrophobicContact CG2-CG2 4.33Å; I102-S111 CarbonylContact C-O 3.51Å; I102-S111 WeakPolarHBondContact CA-O 2.94Å; I102-F112 HydrophobicContact CB-CD1 4.5Å; I102-F112 HydrophobicContact CB-CE1 4.5Å; I102-F112 HydrophobicContact CD1-CE1 4.22Å; I102-F112 HydrophobicContact CG1-CD1 3.9Å; I102-F112 HydrophobicContact CG1-CE1 3.88Å; I102-F112 HydrophobicContact CG2-CD1 4.42Å; I102-F112 HydrophobicContact CG2-CE1 4.08Å
103L98.2Very high95.9Very high4 Ų431.2 Ų31.22%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-126.2138.5173.7-60.2175.8000109.8P10 V11 F16 L80 L81 T101 I110 S111P10-L103 HydrophobicContact CB-CD1 4.12Å; P10-L103 HydrophobicContact CG-CD1 3.68Å; V11-L103 HydrophobicContact CG2-CD1 3.56Å; V11-L103 HydrophobicContact CG2-CD2 3.93Å; V11-L103 HydrophobicContact CG2-CG 4.42Å; F16-L103 HydrophobicContact CE1-CD2 4.48Å; F16-L103 HydrophobicContact CZ-CD2 3.95Å; L80-L103 HydrophobicContact CD1-CB 4.25Å; L80-L103 HydrophobicContact CD1-CD2 4.45Å; L80-L103 HydrophobicContact CD2-CD2 4.18Å; L80-L103 HydrophobicContact CG-CD2 4.35Å; L81-L103 CarbonylContact O-C 3.54Å; T101-L103 HydrophobicContact CG2-CD2 4.04Å; T101-L103 HydrophobicContact CG2-CG 4.14Å; L103-I110 CarbonylContact O-C 3.47Å; L103-I110 VanDerWaalsContact O-CA 3.32Å; L103-I110 WeakPolarHBondContact O-CA 2.95Å; L103-S111 PolarHBondContact N-O 2.93Å; L103-S111 PolarHBondContact O-N 3.32Å
104I98.2Very high96.3Very high5 Ų528.2 Ų28.23%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-126123.5178-55.8175000107.3F30 F32 I60 L81 I102 I110F30-I104 WeakPolarHBondContact CZ-O 3.48Å; F32-I104 HydrophobicContact CD1-CG2 4.39Å; F32-I104 HydrophobicContact CD2-CG2 3.85Å; F32-I104 HydrophobicContact CE1-CG2 4.14Å; F32-I104 HydrophobicContact CE2-CG2 3.57Å; F32-I104 HydrophobicContact CG-CG2 4.25Å; F32-I104 HydrophobicContact CZ-CD1 4.47Å; F32-I104 HydrophobicContact CZ-CG2 3.73Å; I60-I104 HydrophobicContact CD1-CD1 4.15Å; L81-I104 HydrophobicContact CB-CB 4.25Å; L81-I104 HydrophobicContact CD2-CD1 4.16Å; L81-I104 HydrophobicContact CG-CD1 4.46Å; L81-I104 PolarHBondContact N-O 3.1Å; L81-I104 PolarHBondContact O-N 3.26Å; I102-I104 HydrophobicContact CG2-CG1 4.48Å; I104-I110 HydrophobicContact CG1-CG1 4.41Å
105H96.5Very high96.5Very high44 Ų4426.5 Ų26.520%0.20415%0.151CC..  trans-102.7159.4-178.1-64.6-93.2000111.6L80 S107 G108 K109L80-H105 VanDerWaalsContact CD1-CE1 3.49Å; L80-H105 WeakPolarHBondContact CD1-CE1 3.23Å; H105-S107 PolarHBondContact O-N 3.16Å; H105-S107 VanDerWaalsContact O-N 3.14Å; H105-G108 PolarHBondContact O-N 3.07Å; H105-K109 HydrophobicContact CB-CB 4.17Å; H105-K109 VanDerWaalsContact CD2-CE 3.43Å; H105-K109 WeakPolarHBondContact CD2-CE 3.1Å; H105-K109 PolarHBondContact CD2-O 2.89Å; H105-K109 PolarHBondContact N-O 3.08Å
106P94.8Very high96.6Very high59 Ų5926.4 Ų26.438%0.38315%0.153SC..THydrogen-bonded Turntrans-55.2-30.3175.4-27.334000114.6F30 G79 G108F30-P106 HydrophobicContact CB-CG 4.33Å; F30-P106 HydrophobicContact CD1-CG 4.46Å; F30-P106 HydrophobicContact CD2-CB 3.87Å; F30-P106 HydrophobicContact CD2-CG 3.72Å; F30-P106 HydrophobicContact CE2-CB 4.4Å; F30-P106 HydrophobicContact CE2-CG 4.11Å; F30-P106 HydrophobicContact CG-CB 4.38Å; F30-P106 HydrophobicContact CG-CG 3.91Å; G79-P106 VanDerWaalsContact O-CD 3.27Å; G79-P106 WeakPolarHBondContact O-CD 3.23Å; P106-G108 PolarHBondContact O-N 3.4Å; P106-G108 VanDerWaalsContact O-N 3.12Å
107S90.9Very high96.5Very high84 Ų8424.7 Ų24.759%0.58714%0.142SC*.THydrogen-bonded Turntrans-70-1.1175.760.80000114.3H105 K109H105-S107 PolarHBondContact O-N 3.16Å; H105-S107 VanDerWaalsContact O-N 3.14Å; S107-K109 PolarHBondContact O-N 2.87Å; S107-K109 WeakPolarHBondContact OG-CB 3.46Å; S107-K109 PolarHBondContact OG-N 2.83Å
108G92.1Very high96.4Very high9 Ų922.2 Ų22.29%0.09313%0.128CC..SBendtrans77.41.4-169.600000113.5H105 P106 I110H105-G108 PolarHBondContact O-N 3.07Å; P106-G108 PolarHBondContact O-N 3.4Å; P106-G108 VanDerWaalsContact O-N 3.12Å; G108-I110 PolarHBondContact O-N 3.39Å
109K93.9Very high96.1Very high51 Ų5128.4 Ų28.422%0.22217%0.166CC..  trans-62.9131.5173.1-173.6-179.273.5162.60110H105 S107 E159 F160H105-K109 HydrophobicContact CB-CB 4.17Å; H105-K109 VanDerWaalsContact CD2-CE 3.43Å; H105-K109 WeakPolarHBondContact CD2-CE 3.1Å; H105-K109 PolarHBondContact CD2-O 2.89Å; H105-K109 PolarHBondContact N-O 3.08Å; S107-K109 PolarHBondContact O-N 2.87Å; S107-K109 WeakPolarHBondContact OG-CB 3.46Å; S107-K109 PolarHBondContact OG-N 2.83Å; K109-E159 IonicContact NZ-OE1 3.15Å; K109-E159 PolarHBondContact NZ-OE1 3.44Å; K109-F160 CarbonylContact C-O 3.57Å; K109-F160 VanDerWaalsContact CA-O 3.27Å; K109-F160 WeakPolarHBondContact CA-O 3.34Å; K109-F160 VanDerWaalsContact CG-O 3.32Å; K109-F160 WeakPolarHBondContact CG-O 3.27Å
110I97.5Very high95.8Very high9 Ų933.2 Ų33.25%0.04619%0.187CC..EExtended strand (participates in β ladder)trans-115.1127.5175.3-62.3164000108.7F34 I60 I102 L103 I104 G108 F112 I130 F160F34-I110 HydrophobicContact CD2-CD1 4.02Å; F34-I110 HydrophobicContact CE2-CD1 3.75Å; I60-I110 HydrophobicContact CD1-CD1 3.76Å; I60-I110 HydrophobicContact CD1-CG1 4.37Å; I60-I110 HydrophobicContact CD1-CG2 4.26Å; I102-I110 HydrophobicContact CG2-CG2 4.33Å; L103-I110 CarbonylContact O-C 3.47Å; L103-I110 VanDerWaalsContact O-CA 3.32Å; L103-I110 WeakPolarHBondContact O-CA 2.95Å; I104-I110 HydrophobicContact CG1-CG1 4.41Å; G108-I110 PolarHBondContact O-N 3.39Å; I110-F112 HydrophobicContact CG2-CE1 4.46Å; I110-F112 HydrophobicContact CG2-CE2 4Å; I110-F112 HydrophobicContact CG2-CZ 3.88Å; I110-I130 HydrophobicContact CB-CD1 4.1Å; I110-I130 HydrophobicContact CD1-CD1 3.88Å; I110-I130 HydrophobicContact CD1-CG2 4.43Å; I110-I130 HydrophobicContact CG2-CD1 3.96Å; I110-F160 HydrophobicContact CB-CB 4.46Å; I110-F160 PolarHBondContact N-O 3.46Å; I110-F160 PolarHBondContact O-N 2.9Å
111S97.9Very high95.4Very high3 Ų334 Ų342%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-120.5137.5178.6-55.70000111.3I102 L103 V158I102-S111 CarbonylContact C-O 3.51Å; I102-S111 WeakPolarHBondContact CA-O 2.94Å; L103-S111 PolarHBondContact N-O 2.93Å; L103-S111 PolarHBondContact O-N 3.32Å; S111-V158 CarbonylContact C-O 3.56Å; S111-V158 VanDerWaalsContact CA-O 3.22Å; S111-V158 WeakPolarHBondContact CA-O 3.43Å
112F98.3Very high94.9Very high0 Ų035.9 Ų35.90%021%0.211CC..EExtended strand (participates in β ladder)trans-111.6131.7170.6-56.9-78.7000109.3I60 N62 T101 I102 I110 Y114 T128 I130 V147 L157 V158 F160I60-F112 HydrophobicContact CG2-CE1 3.61Å; I60-F112 HydrophobicContact CG2-CZ 3.65Å; N62-F112 HydrophobicContact CB-CD1 4.04Å; N62-F112 HydrophobicContact CB-CE1 4.09Å; T101-F112 WeakPolarHBondContact O-CA 3.47Å; I102-F112 HydrophobicContact CB-CD1 4.5Å; I102-F112 HydrophobicContact CB-CE1 4.5Å; I102-F112 HydrophobicContact CD1-CE1 4.22Å; I102-F112 HydrophobicContact CG1-CD1 3.9Å; I102-F112 HydrophobicContact CG1-CE1 3.88Å; I102-F112 HydrophobicContact CG2-CD1 4.42Å; I102-F112 HydrophobicContact CG2-CE1 4.08Å; I110-F112 HydrophobicContact CG2-CE1 4.46Å; I110-F112 HydrophobicContact CG2-CE2 4Å; I110-F112 HydrophobicContact CG2-CZ 3.88Å; F112-Y114 HydrophobicContact CB-CE2 4.22Å; F112-T128 HydrophobicContact CB-CG2 4.41Å; F112-T128 HydrophobicContact CD1-CG2 3.54Å; F112-T128 HydrophobicContact CD2-CG2 3.83Å; F112-T128 HydrophobicContact CE1-CG2 3.6Å; F112-T128 HydrophobicContact CE2-CG2 3.88Å; F112-T128 HydrophobicContact CG-CG2 3.65Å; F112-T128 HydrophobicContact CZ-CG2 3.76Å; F112-I130 HydrophobicContact CE2-CD1 3.85Å; F112-I130 HydrophobicContact CE2-CG1 3.95Å; F112-I130 HydrophobicContact CZ-CD1 4.05Å; F112-I130 HydrophobicContact CZ-CG1 3.73Å; F112-V147 HydrophobicContact CD2-CG2 4.19Å; F112-V147 HydrophobicContact CE2-CG2 4.5Å; F112-L157 WeakPolarHBondContact O-CA 3.28Å; F112-V158 HydrophobicContact CB-CB 4.33Å; F112-V158 HydrophobicContact CD2-CB 4.49Å; F112-V158 PolarHBondContact N-O 2.89Å; F112-V158 PolarHBondContact O-N 3.17Å; F112-F160 AromaticContact CD2-CD2 3.95Å; F112-F160 HydrophobicContact CD2-CD2 3.95Å; F112-F160 AromaticContact CD2-CE2 3.67Å; F112-F160 HydrophobicContact CD2-CE2 3.67Å; F112-F160 AromaticContact CE2-CD2 3.64Å; F112-F160 HydrophobicContact CE2-CD2 3.64Å; F112-F160 AromaticContact CE2-CE2 3.46Å; F112-F160 HydrophobicContact CE2-CE2 3.46Å; F112-F160 VanDerWaalsContact CE2-CE2 3.46Å
113Y98.4Very high94.4Very high10 Ų1040.2 Ų40.24%0.03923%0.231CC..EExtended strand (participates in β ladder)trans-125.4139.7174.8-177.4-105.4000110.5Q7 S8 Q9 P10 T101 D115 T156 L157Q7-Y113 HydrophobicContact CB-CE2 4.25Å; Q7-Y113 VanDerWaalsContact O-CE2 3.31Å; Q7-Y113 WeakPolarHBondContact O-CE2 3.5Å; Q7-Y113 PolarHBondContact O-OH 3.07Å; S8-Y113 VanDerWaalsContact C-OH 3.29Å; Q9-Y113 VanDerWaalsContact CA-CE1 3.5Å; Q9-Y113 HydrophobicContact CB-CD1 4.46Å; Q9-Y113 HydrophobicContact CB-CE1 3.76Å; Q9-Y113 HydrophobicContact CG-CD1 4.21Å; Q9-Y113 HydrophobicContact CG-CE1 3.96Å; Q9-Y113 PolarHBondContact N-OH 2.79Å; Q9-Y113 VanDerWaalsContact N-OH 3.14Å; P10-Y113 HydrophobicContact CG-CG 4.22Å; T101-Y113 PolarHBondContact N-O 3.2Å; T101-Y113 PolarHBondContact O-N 2.81Å; Y113-D115 HydrophobicContact CD1-CB 4.42Å; Y113-D115 HydrophobicContact CE1-CB 3.78Å; Y113-T156 WeakPolarHBondContact CA-O 2.99Å; Y113-T156 WeakPolarHBondContact CD2-O 3.36Å; Y113-L157 HydrophobicContact CD2-CB 4.26Å; Y113-L157 HydrophobicContact CD2-CD1 4.29Å
114Y98.1Very high94Very high0 Ų046.2 Ų46.20%026%0.263CS..EExtended strand (participates in β ladder)trans-125.3126.1-176.7-49.6-78.3000110.1N62 M100 F112 T128 I152 S154 G155 T156 V158N62-Y114 WeakPolarHBondContact OD1-CE1 3.25Å; M100-Y114 HydrophobicContact CE-CD1 3.85Å; M100-Y114 HydrophobicContact CE-CE1 3.55Å; M100-Y114 HydrophobicContact CG-CD1 4.21Å; F112-Y114 HydrophobicContact CB-CE2 4.22Å; Y114-T128 VanDerWaalsContact OH-CB 3.31Å; Y114-T128 WeakPolarHBondContact OH-CB 3.48Å; Y114-T128 VanDerWaalsContact OH-CG2 3.32Å; Y114-T128 WeakPolarHBondContact OH-CG2 3.36Å; Y114-T128 PolarHBondContact OH-OG1 3.43Å; Y114-I152 HydrophobicContact CD1-CG2 3.6Å; Y114-I152 HydrophobicContact CD2-CG2 4.24Å; Y114-I152 HydrophobicContact CE1-CD1 4.34Å; Y114-I152 HydrophobicContact CE1-CG1 4.24Å; Y114-I152 HydrophobicContact CE1-CG2 3.66Å; Y114-I152 HydrophobicContact CE2-CB 4.5Å; Y114-I152 HydrophobicContact CE2-CG1 4.07Å; Y114-I152 HydrophobicContact CE2-CG2 4.3Å; Y114-I152 HydrophobicContact CG-CG2 3.88Å; Y114-S154 CarbonylContact O-C 3.48Å; Y114-G155 PolarHBondContact O-N 3.47Å; Y114-T156 HydrophobicContact CD2-CG2 4.35Å; Y114-T156 WeakPolarHBondContact CD2-O 3.31Å; Y114-T156 PolarHBondContact N-O 3.48Å; Y114-T156 VanDerWaalsContact N-O 3.13Å; Y114-V158 HydrophobicContact CE2-CG2 4Å
115D97.3Very high93.7Very high39 Ų3949.2 Ų49.221%0.20928%0.277CS..EExtended strand (participates in β ladder)trans-130.4143.1-177-166.923.7000111.3F98 T99 Y113 I117F98-D115 WeakPolarHBondContact CB-O 3.27Å; T99-D115 PolarHBondContact N-O 2.99Å; T99-D115 PolarHBondContact O-N 3.06Å; Y113-D115 HydrophobicContact CD1-CB 4.42Å; Y113-D115 HydrophobicContact CE1-CB 3.78Å; D115-I117 PolarHBondContact O-N 2.86Å; D115-I117 VanDerWaalsContact O-N 3.12Å
116N96Very high93.7Very high97 Ų9747.6 Ų47.652%0.51927%0.27SS..SBendtrans51.928.6-179.2-58-50.5000115.4F98 P118 S154F98-N116 HydrophobicContact CB-CB 4.37Å; F98-N116 WeakPolarHBondContact CB-O 3.34Å; N116-P118 WeakPolarHBondContact O-CD 3.03Å; N116-S154 WeakPolarHBondContact CA-OG 3.48Å; N116-S154 PolarHBondContact N-OG 2.89Å
117I95.2Very high93.7Very high11 Ų1148.1 Ų48.16%0.05627%0.266CS..  trans-62117.4174.6-53.8-58.1000110.4F98 M100 D115 F126 S154F98-I117 HydrophobicContact CB-CD1 4.19Å; F98-I117 HydrophobicContact CD2-CD1 3.37Å; F98-I117 HydrophobicContact CE2-CD1 3.96Å; F98-I117 HydrophobicContact CG-CD1 3.97Å; M100-I117 HydrophobicContact CG-CD1 4.49Å; D115-I117 PolarHBondContact O-N 2.86Å; D115-I117 VanDerWaalsContact O-N 3.12Å; I117-F126 HydrophobicContact CD1-CE1 4.2Å; I117-F126 HydrophobicContact CG2-CE1 4.05Å; I117-F126 HydrophobicContact CG2-CE2 4.06Å; I117-F126 HydrophobicContact CG2-CZ 3.47Å; I117-F126 VanDerWaalsContact CG2-CZ 3.47Å; I117-S154 PolarHBondContact N-OG 2.84Å; I117-S154 PolarHBondContact O-OG 2.9Å; I117-S154 VanDerWaalsContact O-OG 3.1Å
118P92.6Very high94Very high15 Ų1544.3 Ų44.310%0.09724%0.239CC..  trans-66.9142177.3-20.234.1000111.7V96 F98 N116 E120 I121V96-P118 HydrophobicContact CB-CG 4.17Å; V96-P118 HydrophobicContact CG1-CB 4.34Å; V96-P118 HydrophobicContact CG1-CG 3.4Å; F98-P118 HydrophobicContact CD1-CG 4.26Å; N116-P118 WeakPolarHBondContact O-CD 3.03Å; P118-E120 VanDerWaalsContact C-N 3.3Å; P118-E120 WeakPolarHBondContact CB-OE2 3.24Å; P118-I121 HydrophobicContact CB-CD1 4.04Å; P118-I121 HydrophobicContact CB-CG1 4.13Å; P118-I121 HydrophobicContact CG-CD1 3.8Å; P118-I121 HydrophobicContact CG-CG1 4.43Å
119T91.6Very high94.2Very high132 Ų13247.8 Ų47.881%0.8125%0.249SC*.THydrogen-bonded Turntrans-78.5-17.4-178.350.30000112.8I121T119-I121 VanDerWaalsContact C-N 3.31Å
120E90.3Very high94.3Very high120 Ų12045.6 Ų45.656%0.56124%0.24SC*.THydrogen-bonded Turntrans-77.3-17.2-179.7-57.782.5177.400112.9V91 P118V91-E120 HydrophobicContact CG1-CB 3.57Å; V91-E120 HydrophobicContact CG1-CG 4.03Å; P118-E120 VanDerWaalsContact C-N 3.3Å; P118-E120 WeakPolarHBondContact CB-OE2 3.24Å
121I88.6Confident94.3Very high17 Ų1745.7 Ų45.79%0.08724%0.241CC..SBendtrans-78.6125.1179.1-62175.6000109.3I64 V89 V91 F98 P118 T119 E123 Q125 F126I64-I121 HydrophobicContact CD1-CD1 3.91Å; I64-I121 HydrophobicContact CD1-CG2 3.71Å; V89-I121 HydrophobicContact CG2-CD1 3.62Å; V89-I121 HydrophobicContact CG2-CG1 4.49Å; V91-I121 HydrophobicContact CG2-CD1 4.43Å; V91-I121 HydrophobicContact CG2-CG1 4.08Å; F98-I121 HydrophobicContact CD1-CD1 4.35Å; F98-I121 HydrophobicContact CE1-CD1 3.81Å; P118-I121 HydrophobicContact CB-CD1 4.04Å; P118-I121 HydrophobicContact CB-CG1 4.13Å; P118-I121 HydrophobicContact CG-CD1 3.8Å; P118-I121 HydrophobicContact CG-CG1 4.43Å; T119-I121 VanDerWaalsContact C-N 3.31Å; I121-E123 PolarHBondContact O-N 2.83Å; I121-Q125 HydrophobicContact CG2-CB 4.18Å; I121-Q125 HydrophobicContact CG2-CG 4.45Å; I121-F126 HydrophobicContact CB-CE2 4.05Å; I121-F126 HydrophobicContact CB-CZ 4.05Å; I121-F126 HydrophobicContact CD1-CZ 4.17Å; I121-F126 HydrophobicContact CG2-CD2 4.43Å; I121-F126 HydrophobicContact CG2-CE2 3.51Å; I121-F126 HydrophobicContact CG2-CZ 3.61Å
122G87.7Confident94Very high42 Ų4245.6 Ų45.643%0.43324%0.24SC..  trans-60.8129.3176.500000112.1N124 Q125G122-N124 PolarHBondContact O-N 3.23Å; G122-Q125 WeakPolarHBondContact O-CB 3.44Å; G122-Q125 WeakPolarHBondContact O-CG 3.34Å; G122-Q125 PolarHBondContact O-N 3.16Å
123E89Confident93.5Very high93 Ų9345.9 Ų45.944%0.43524%0.242SC..G310 helixtrans-47.7-41.3-176.2-59-178.2166.400112.6I121 Q125 F126 A149 K150I121-E123 PolarHBondContact O-N 2.83Å; E123-Q125 PolarHBondContact O-N 3.33Å; E123-F126 PolarHBondContact O-N 3.42Å; E123-F126 VanDerWaalsContact O-N 3.08Å; E123-A149 HydrophobicContact CB-CB 3.93Å; E123-A149 WeakPolarHBondContact O-CB 3.45Å; E123-K150 VanDerWaalsContact CD-CA 3.43Å; E123-K150 WeakPolarHBondContact OE1-CA 3.31Å; E123-K150 WeakPolarHBondContact OE2-CA 3.36Å; E123-K150 VanDerWaalsContact OE2-CB 3.29Å; E123-K150 WeakPolarHBondContact OE2-CB 3.32Å
124N88.5Confident92.8Very high131 Ų13148.1 Ų48.170%0.70125%0.254SS*.G310 helixtrans-61.3-14.7-177.1-70.5-28.7000115.1G122 K127G122-N124 PolarHBondContact O-N 3.23Å; N124-K127 WeakPolarHBondContact O-CE 3.39Å; N124-K127 PolarHBondContact O-NZ 3.32Å
125Q93.5Very high91.8Very high68 Ų6851.5 Ų51.532%0.31827%0.271SS..G310 helixtrans-75.2-27.5176.8-62.4-168.44.400112.7I64 Q65 I121 G122 E123I64-Q125 HydrophobicContact CD1-CB 4.34Å; I64-Q125 HydrophobicContact CG1-CB 3.95Å; Q65-Q125 PolarHBondContact N-O 3.19Å; I121-Q125 HydrophobicContact CG2-CB 4.18Å; I121-Q125 HydrophobicContact CG2-CG 4.45Å; G122-Q125 WeakPolarHBondContact O-CB 3.44Å; G122-Q125 WeakPolarHBondContact O-CG 3.34Å; G122-Q125 PolarHBondContact O-N 3.16Å; E123-Q125 PolarHBondContact O-N 3.33Å
126F95.4Very high90.8Very high10 Ų1052 Ų524%0.04428%0.278CS..EExtended strand (participates in β ladder)trans-78.4133.9179-60.3-79.1000111I64 F98 M100 I117 I121 E123 I152I64-F126 HydrophobicContact CB-CD1 4.23Å; I64-F126 HydrophobicContact CB-CE1 4.35Å; I64-F126 HydrophobicContact CD1-CD1 4.25Å; I64-F126 HydrophobicContact CD1-CE1 3.73Å; I64-F126 HydrophobicContact CD1-CZ 3.96Å; I64-F126 HydrophobicContact CG1-CD1 4.16Å; I64-F126 HydrophobicContact CG1-CE1 4.14Å; F98-F126 AromaticContact CE2-CE1 3.84Å; F98-F126 HydrophobicContact CE2-CE1 3.84Å; F98-F126 AromaticContact CZ-CE1 3.85Å; F98-F126 HydrophobicContact CZ-CE1 3.85Å; M100-F126 HydrophobicContact CE-CD1 4.24Å; M100-F126 HydrophobicContact SD-CD1 4.45Å; I117-F126 HydrophobicContact CD1-CE1 4.2Å; I117-F126 HydrophobicContact CG2-CE1 4.05Å; I117-F126 HydrophobicContact CG2-CE2 4.06Å; I117-F126 HydrophobicContact CG2-CZ 3.47Å; I117-F126 VanDerWaalsContact CG2-CZ 3.47Å; I121-F126 HydrophobicContact CB-CE2 4.05Å; I121-F126 HydrophobicContact CB-CZ 4.05Å; I121-F126 HydrophobicContact CD1-CZ 4.17Å; I121-F126 HydrophobicContact CG2-CD2 4.43Å; I121-F126 HydrophobicContact CG2-CE2 3.51Å; I121-F126 HydrophobicContact CG2-CZ 3.61Å; E123-F126 PolarHBondContact O-N 3.42Å; E123-F126 VanDerWaalsContact O-N 3.08Å; F126-I152 HydrophobicContact CB-CB 4.4Å; F126-I152 HydrophobicContact CB-CD1 3.65Å; F126-I152 HydrophobicContact CB-CG2 4.1Å; F126-I152 HydrophobicContact CD1-CG2 3.97Å; F126-I152 HydrophobicContact CD2-CG2 4.33Å; F126-I152 HydrophobicContact CG-CB 4.45Å; F126-I152 HydrophobicContact CG-CG2 3.87Å
127K95.2Very high90Very high69 Ų6950.6 Ų50.630%0.329%0.285SS..EExtended strand (participates in β ladder)trans-128.7100.9-179.8-58.4-61.1174.7-155.80109.3N62 Y63 Q65 N124N62-K127 WeakPolarHBondContact CA-O 3.33Å; Y63-K127 HydrophobicContact CD1-CB 3.82Å; Y63-K127 HydrophobicContact CE1-CB 3.38Å; Y63-K127 HydrophobicContact CE1-CG 4.07Å; Y63-K127 HydrophobicContact CE2-CB 4.26Å; Y63-K127 HydrophobicContact CE2-CG 4.2Å; Y63-K127 HydrophobicContact CG-CB 4.42Å; Y63-K127 PolarHBondContact N-O 3.33Å; Y63-K127 PolarHBondContact O-N 2.9Å; Q65-K127 VanDerWaalsContact CD-CE 3.48Å; Q65-K127 HydrophobicContact CG-CG 4.15Å; N124-K127 WeakPolarHBondContact O-CE 3.39Å; N124-K127 PolarHBondContact O-NZ 3.32Å
128T97Very high89.3Confident5 Ų552.6 Ų52.63%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-120.6122.8170.5-50.40000110.2N61 N62 F112 Y114 V147N61-T128 VanDerWaalsContact O-CA 3.28Å; N61-T128 WeakPolarHBondContact O-CA 3.23Å; N62-T128 HydrophobicContact CB-CG2 4.4Å; N62-T128 WeakPolarHBondContact OD1-CB 3.21Å; N62-T128 VanDerWaalsContact OD1-CG2 3.31Å; N62-T128 WeakPolarHBondContact OD1-CG2 3.27Å; N62-T128 PolarHBondContact OD1-OG1 3.49Å; F112-T128 HydrophobicContact CB-CG2 4.41Å; F112-T128 HydrophobicContact CD1-CG2 3.54Å; F112-T128 HydrophobicContact CD2-CG2 3.83Å; F112-T128 HydrophobicContact CE1-CG2 3.6Å; F112-T128 HydrophobicContact CE2-CG2 3.88Å; F112-T128 HydrophobicContact CG-CG2 3.65Å; F112-T128 HydrophobicContact CZ-CG2 3.76Å; Y114-T128 VanDerWaalsContact OH-CB 3.31Å; Y114-T128 WeakPolarHBondContact OH-CB 3.48Å; Y114-T128 VanDerWaalsContact OH-CG2 3.32Å; Y114-T128 WeakPolarHBondContact OH-CG2 3.36Å; Y114-T128 PolarHBondContact OH-OG1 3.43Å; T128-V147 HydrophobicContact CG2-CB 4.21Å; T128-V147 HydrophobicContact CG2-CG2 3.6Å; T128-V147 PolarHBondContact O-N 2.95Å
129R96.2Very high88.8Confident81 Ų8157 Ų5731%0.30633%0.331SS..EExtended strand (participates in β ladder)trans-154.5155.9178.959.3173.2-179-169.8-1.1112.7N61 V131 E144 I145 R146N61-R129 HydrophobicContact CB-CG 3.68Å; N61-R129 PolarHBondContact N-O 2.99Å; N61-R129 PolarHBondContact O-N 3.28Å; N61-R129 WeakPolarHBondContact OD1-CG 3.39Å; N61-R129 PolarHBondContact OD1-NE 3.41Å; R129-V131 HydrophobicContact CG-CG2 4.44Å; R129-E144 HydrophobicContact CB-CG 4.28Å; R129-E144 WeakPolarHBondContact CD-OE1 3.34Å; R129-E144 IonicContact CZ-OE1 3.84Å; R129-E144 IonicContact NE-OE1 2.8Å; R129-E144 IonicContact NH1-OE1 3Å; R129-E144 PolarHBondContact NH1-OE1 2.73Å; R129-E144 IonicContact NH1-OE2 3.96Å; R129-I145 CarbonylContact C-O 3.57Å; R129-I145 WeakPolarHBondContact CA-O 3.4Å; R129-I145 WeakPolarHBondContact CB-O 3.29Å; R129-R146 HydrophobicContact CB-CG 4.13Å
130I97Very high88.5Confident6 Ų656.7 Ų56.73%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-117.4124.9169.2-59172.1000106.8F34 Y35 I60 I110 F112 E144 I145 F160F34-I130 HydrophobicContact CE2-CG2 3.65Å; F34-I130 HydrophobicContact CZ-CG2 3.6Å; Y35-I130 HydrophobicContact CE2-CG2 3.9Å; I60-I130 HydrophobicContact CG1-CG1 4.45Å; I60-I130 HydrophobicContact CG1-CG2 4.43Å; I60-I130 HydrophobicContact CG2-CG1 4.45Å; I110-I130 HydrophobicContact CB-CD1 4.1Å; I110-I130 HydrophobicContact CD1-CD1 3.88Å; I110-I130 HydrophobicContact CD1-CG2 4.43Å; I110-I130 HydrophobicContact CG2-CD1 3.96Å; F112-I130 HydrophobicContact CE2-CD1 3.85Å; F112-I130 HydrophobicContact CE2-CG1 3.95Å; F112-I130 HydrophobicContact CZ-CD1 4.05Å; F112-I130 HydrophobicContact CZ-CG1 3.73Å; I130-E144 WeakPolarHBondContact O-CA 3.43Å; I130-I145 PolarHBondContact N-O 3.3Å; I130-I145 PolarHBondContact O-N 3.37Å; I130-F160 HydrophobicContact CD1-CB 4.04Å; I130-F160 HydrophobicContact CD1-CD1 4.28Å; I130-F160 HydrophobicContact CD1-CD2 3.63Å; I130-F160 HydrophobicContact CD1-CE2 4.13Å; I130-F160 HydrophobicContact CD1-CG 3.7Å
131V95.8Very high88.3Confident11 Ų1157.9 Ų57.97%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-117123.1176.6-1760000108.6F34 G58 N59 R129 Y142 H143 E144F34-V131 WeakPolarHBondContact CE1-O 3.18Å; F34-V131 WeakPolarHBondContact CZ-O 3.27Å; G58-V131 CarbonylContact C-O 3.57Å; G58-V131 WeakPolarHBondContact CA-O 3.41Å; N59-V131 PolarHBondContact N-O 3.07Å; N59-V131 PolarHBondContact O-N 3.43Å; N59-V131 WeakPolarHBondContact OD1-CB 3.43Å; R129-V131 HydrophobicContact CG-CG2 4.44Å; V131-Y142 HydrophobicContact CG1-CD1 4.45Å; V131-H143 CarbonylContact C-O 3.46Å; V131-H143 VanDerWaalsContact CA-O 3.31Å; V131-H143 WeakPolarHBondContact CA-O 3.2Å; V131-E144 HydrophobicContact CG2-CB 4.23Å; V131-E144 HydrophobicContact CG2-CG 3.94Å
132G93.1Very high88.3Confident0 Ų065.1 Ų65.10%034%0.342CS..EExtended strand (participates in β ladder)trans-116.2148.8174.300000112Y142 H143G132-Y142 CarbonylContact O-C 3.58Å; G132-Y142 WeakPolarHBondContact O-CA 3.21Å; G132-H143 PolarHBondContact N-O 2.91Å; G132-H143 PolarHBondContact O-N 3.2Å
133T87Confident88.3Confident6 Ų667.2 Ų67.24%0.03734%0.341CS..EExtended strand (participates in β ladder)trans-94.2127.3172.8-53.30000108.6Y37 F55 I57 Y140 R141 Y142Y37-T133 WeakPolarHBondContact CE2-O 3.41Å; F55-T133 HydrophobicContact CE2-CG2 4.38Å; I57-T133 VanDerWaalsContact O-CB 3.27Å; I57-T133 WeakPolarHBondContact O-CB 3.25Å; I57-T133 PolarHBondContact O-N 3.08Å; I57-T133 PolarHBondContact O-OG1 3.41Å; I57-T133 VanDerWaalsContact O-OG1 3.07Å; T133-Y140 HydrophobicContact CG2-CD1 3.54Å; T133-Y140 HydrophobicContact CG2-CE1 4.35Å; T133-Y140 HydrophobicContact CG2-CG 4.34Å; T133-R141 CarbonylContact C-O 3.6Å; T133-R141 WeakPolarHBondContact CA-O 3.27Å; T133-Y142 HydrophobicContact CG2-CE1 4.29Å
134I84.2Confident88.5Confident58 Ų5865.6 Ų65.630%0.29733%0.333SS..EExtended strand (participates in β ladder)trans-120.8148.117464.2179.1000108.7Y35 R141Y35-I134 HydrophobicContact CD1-CG2 3.84Å; Y35-I134 HydrophobicContact CE1-CG2 4.49Å; I134-R141 HydrophobicContact CD1-CB 4.23Å; I134-R141 HydrophobicContact CG1-CB 3.76Å; I134-R141 PolarHBondContact N-O 2.94Å; I134-R141 PolarHBondContact O-N 2.91Å
135I77Confident88.7Confident70 Ų7062.1 Ų62.136%0.35931%0.314SS..EExtended strand (participates in β ladder)trans-104.1125.5174.5-61.2171.3000107.3Y37 Y140Y37-I135 VanDerWaalsContact OH-CD1 3.31Å; Y37-I135 WeakPolarHBondContact OH-CD1 3.4Å; Y37-I135 WeakPolarHBondContact OH-CG1 3.36Å; I135-Y140 HydrophobicContact CD1-CD1 4.33Å; I135-Y140 HydrophobicContact CD1-CE1 3.77Å; I135-Y140 HydrophobicContact CG1-CD1 3.76Å; I135-Y140 HydrophobicContact CG1-CE1 3.73Å
136C75.7Confident88.8Confident51 Ų5166.2 Ų66.235%0.34533%0.326SS..EExtended strand (participates in β ladder)trans-127.6106.6175.2-58.10000109I139C136-I139 PolarHBondContact N-O 2.82Å; C136-I139 PolarHBondContact O-N 3.01Å
137G80.1Confident88.8Confident66 Ų6666.1 Ų66.168%0.6833%0.326SS*.THydrogen-bonded Turntrans58.851.1-178.900000112.6I139G137-I139 PolarHBondContact O-N 2.87Å; G137-I139 VanDerWaalsContact O-N 3.17Å
138G80.5Confident88.8Confident53 Ų5365.4 Ų65.455%0.54633%0.329SS..THydrogen-bonded Turntrans70-1.8-17600000116.8E210G138-E210 PolarHBondContact N-OE1 2.83Å
139I82.2Confident88.6Confident109 Ų10966.2 Ų66.256%0.55934%0.336SS*.EExtended strand (participates in β ladder)trans-105129.2-179.3-58.3173.3000110.5C136 G137 R141C136-I139 PolarHBondContact N-O 2.82Å; C136-I139 PolarHBondContact O-N 3.01Å; G137-I139 PolarHBondContact O-N 2.87Å; G137-I139 VanDerWaalsContact O-N 3.17Å; I139-R141 PolarHBondContact O-N 2.87Å
140Y84.2Confident88.4Confident125 Ų12567.5 Ų67.549%0.4934%0.344SS..EExtended strand (participates in β ladder)trans-68.1125.7170.3-64.4-75.9000111.3F55 T133 I135F55-Y140 AromaticContact CE2-CE1 3.84Å; F55-Y140 HydrophobicContact CE2-CE1 3.84Å; F55-Y140 AromaticContact CZ-CE1 3.95Å; F55-Y140 HydrophobicContact CZ-CE1 3.95Å; T133-Y140 HydrophobicContact CG2-CD1 3.54Å; T133-Y140 HydrophobicContact CG2-CE1 4.35Å; T133-Y140 HydrophobicContact CG2-CG 4.34Å; I135-Y140 HydrophobicContact CD1-CD1 4.33Å; I135-Y140 HydrophobicContact CD1-CE1 3.77Å; I135-Y140 HydrophobicContact CG1-CD1 3.76Å; I135-Y140 HydrophobicContact CG1-CE1 3.73Å
141R86.4Confident88.3Confident145 Ų14571.8 Ų71.855%0.54736%0.36SS..EExtended strand (participates in β ladder)trans-120.8152170.1-58.5-175.3176.3-164.1-1.1109.5T133 I134 I139T133-R141 CarbonylContact C-O 3.6Å; T133-R141 WeakPolarHBondContact CA-O 3.27Å; I134-R141 HydrophobicContact CD1-CB 4.23Å; I134-R141 HydrophobicContact CG1-CB 3.76Å; I134-R141 PolarHBondContact N-O 2.94Å; I134-R141 PolarHBondContact O-N 2.91Å; I139-R141 PolarHBondContact O-N 2.87Å
142Y88.4Confident88.3Confident169 Ų16971.6 Ų71.666%0.66336%0.358SS*.EExtended strand (participates in β ladder)trans-108.5121.9176.9-57.3-75.6000109.3V131 G132 T133V131-Y142 HydrophobicContact CG1-CD1 4.45Å; G132-Y142 CarbonylContact O-C 3.58Å; G132-Y142 WeakPolarHBondContact O-CA 3.21Å; T133-Y142 HydrophobicContact CG2-CE1 4.29Å
143H87.6Confident88.4Confident86 Ų8677.1 Ų77.140%0.39838%0.382SS..EExtended strand (participates in β ladder)trans-100130.6171.5178.7-98.1000109.1Y35 V131 G132 I145Y35-H143 HydrophobicContact CE1-CB 3.82Å; Y35-H143 AromaticContact CE1-CG 3.97Å; Y35-H143 AromaticContact CE1-ND1 3.48Å; Y35-H143 WeakPolarHBondContact CE1-ND1 3.39Å; Y35-H143 AromaticContact CZ-ND1 3.64Å; Y35-H143 PolarHBondContact OH-ND1 3.26Å; V131-H143 CarbonylContact C-O 3.46Å; V131-H143 VanDerWaalsContact CA-O 3.31Å; V131-H143 WeakPolarHBondContact CA-O 3.2Å; G132-H143 PolarHBondContact N-O 2.91Å; G132-H143 PolarHBondContact O-N 3.2Å; H143-I145 WeakPolarHBondContact CE1-CG1 3.11Å
144E92.9Very high88.9Confident59 Ų5979.4 Ų79.428%0.27640%0.398SS..EExtended strand (participates in β ladder)trans-125.2129.8-176.7179.8175.1172.400110.8R129 I130 V131 R146R129-E144 HydrophobicContact CB-CG 4.28Å; R129-E144 WeakPolarHBondContact CD-OE1 3.34Å; R129-E144 IonicContact CZ-OE1 3.84Å; R129-E144 IonicContact NE-OE1 2.8Å; R129-E144 IonicContact NH1-OE1 3Å; R129-E144 PolarHBondContact NH1-OE1 2.73Å; R129-E144 IonicContact NH1-OE2 3.96Å; I130-E144 WeakPolarHBondContact O-CA 3.43Å; V131-E144 HydrophobicContact CG2-CB 4.23Å; V131-E144 HydrophobicContact CG2-CG 3.94Å; E144-R146 HydrophobicContact CG-CG 4.13Å; E144-R146 IonicContact OE1-CZ 2.69Å; E144-R146 IonicContact OE1-NE 2.61Å; E144-R146 PolarHBondContact OE1-NE 3.06Å; E144-R146 IonicContact OE1-NH2 3.6Å; E144-R146 PolarHBondContact OE1-NH2 3.27Å; E144-R146 IonicContact OE2-CZ 2.62Å; E144-R146 IonicContact OE2-NH2 2.66Å; E144-R146 PolarHBondContact OE2-NH2 3.01Å
145I93.7Very high89.5Confident57 Ų5777.1 Ų77.129%0.29239%0.389SS..EExtended strand (participates in β ladder)trans-115.6128.9171.9-47.2173.2000108.1R129 I130 H143 F160R129-I145 CarbonylContact C-O 3.57Å; R129-I145 WeakPolarHBondContact CA-O 3.4Å; R129-I145 WeakPolarHBondContact CB-O 3.29Å; I130-I145 PolarHBondContact N-O 3.3Å; I130-I145 PolarHBondContact O-N 3.37Å; H143-I145 WeakPolarHBondContact CE1-CG1 3.11Å; I145-F160 HydrophobicContact CB-CE1 4.31Å; I145-F160 HydrophobicContact CG2-CD1 4.27Å; I145-F160 HydrophobicContact CG2-CE1 3.44Å; I145-F160 VanDerWaalsContact CG2-CE1 3.44Å; I145-F160 HydrophobicContact CG2-CZ 4.09Å
146R95.9Very high90.5Very high154 Ų15473.8 Ų73.858%0.58137%0.372SS*.EExtended strand (participates in β ladder)trans-111.8141.9-180-60.3-173.6178.8100.21.8110.6R129 E144 P148R129-R146 HydrophobicContact CB-CG 4.13Å; E144-R146 HydrophobicContact CG-CG 4.13Å; E144-R146 IonicContact OE1-CZ 2.69Å; E144-R146 IonicContact OE1-NE 2.61Å; E144-R146 PolarHBondContact OE1-NE 3.06Å; E144-R146 IonicContact OE1-NH2 3.6Å; E144-R146 PolarHBondContact OE1-NH2 3.27Å; E144-R146 IonicContact OE2-CZ 2.62Å; E144-R146 IonicContact OE2-NH2 2.66Å; E144-R146 PolarHBondContact OE2-NH2 3.01Å; R146-P148 WeakPolarHBondContact O-CD 3.18Å
147V95.4Very high91.6Very high8 Ų872.2 Ų72.25%0.04836%0.36CS..  trans-78.8122.8162.8-177.30000107.4F112 T128 A149 I152 V158 F160F112-V147 HydrophobicContact CD2-CG2 4.19Å; F112-V147 HydrophobicContact CE2-CG2 4.5Å; T128-V147 HydrophobicContact CG2-CB 4.21Å; T128-V147 HydrophobicContact CG2-CG2 3.6Å; T128-V147 PolarHBondContact O-N 2.95Å; V147-A149 PolarHBondContact O-N 2.73Å; V147-I152 HydrophobicContact CG1-CD1 4.38Å; V147-I152 HydrophobicContact CG1-CG1 4.03Å; V147-V158 HydrophobicContact CG1-CG1 4.47Å; V147-V158 HydrophobicContact CG1-CG2 3.9Å; V147-V158 HydrophobicContact CG2-CB 4.46Å; V147-V158 HydrophobicContact CG2-CG1 3.96Å; V147-F160 HydrophobicContact CG2-CE2 3.9Å; V147-F160 HydrophobicContact CG2-CZ 3.97Å
148P93.8Very high92.4Very high54 Ų5469 Ų6935%0.35133%0.328SS..  trans-62.3127.1176.5-18.629.4000110.3R146 K150 W151R146-P148 WeakPolarHBondContact O-CD 3.18Å; P148-K150 HydrophobicContact CB-CG 4.33Å; P148-K150 PolarHBondContact O-N 2.91Å; P148-K150 VanDerWaalsContact O-N 3.13Å; P148-W151 WeakPolarHBondContact O-CB 3.34Å; P148-W151 PolarHBondContact O-N 3.21Å
149A93.2Very high93.2Very high22 Ų2268 Ų6818%0.18231%0.309CS..G310 helixtrans-59-30.9-170.300000114.6E123 V147 W151 I152E123-A149 HydrophobicContact CB-CB 3.93Å; E123-A149 WeakPolarHBondContact O-CB 3.45Å; V147-A149 PolarHBondContact O-N 2.73Å; A149-W151 PolarHBondContact O-N 3.26Å; A149-I152 WeakPolarHBondContact O-CB 3.39Å; A149-I152 PolarHBondContact O-N 3.14Å
150K92.8Very high93.8Very high109 Ų10963.6 Ų63.647%0.47429%0.285SS..G310 helixtrans-56.5-20.2173.769.3179.3-176.6176.20115.3E123 P148 K153E123-K150 VanDerWaalsContact CD-CA 3.43Å; E123-K150 WeakPolarHBondContact OE1-CA 3.31Å; E123-K150 WeakPolarHBondContact OE2-CA 3.36Å; E123-K150 VanDerWaalsContact OE2-CB 3.29Å; E123-K150 WeakPolarHBondContact OE2-CB 3.32Å; P148-K150 HydrophobicContact CB-CG 4.33Å; P148-K150 PolarHBondContact O-N 2.91Å; P148-K150 VanDerWaalsContact O-N 3.13Å; K150-K153 VanDerWaalsContact O-CE 3.28Å; K150-K153 WeakPolarHBondContact O-CE 3.37Å
151W93.8Very high94.1Very high96 Ų9663.3 Ų63.336%0.36429%0.288SS..G310 helixtrans-94.4-7.5177.4-58.5124.1000112.9I3 H5 P148 A149 K153 T156I3-W151 HydrophobicContact CD1-CB 4.08Å; I3-W151 HydrophobicContact CD1-CD2 4.48Å; I3-W151 HydrophobicContact CD1-CG 3.81Å; I3-W151 HydrophobicContact CG2-CB 4.28Å; H5-W151 AromaticContact CE1-CE3 3.64Å; H5-W151 AromaticContact NE2-CE3 3.33Å; H5-W151 VanDerWaalsContact NE2-CE3 3.33Å; H5-W151 AromaticContact NE2-CZ3 3.52Å; P148-W151 WeakPolarHBondContact O-CB 3.34Å; P148-W151 PolarHBondContact O-N 3.21Å; A149-W151 PolarHBondContact O-N 3.26Å; W151-K153 PolarHBondContact O-N 3.24Å; W151-K153 VanDerWaalsContact O-N 3.08Å; W151-T156 WeakPolarHBondContact O-CB 3.35Å; W151-T156 WeakPolarHBondContact O-CG2 3.16Å; W151-T156 PolarHBondContact O-OG1 3.31Å
152I95.9Very high93.9Very high6 Ų658.8 Ų58.83%0.03128%0.282CS..  trans-82.689.9179.6-58.7179.3000108.2Y114 F126 V147 A149Y114-I152 HydrophobicContact CD1-CG2 3.6Å; Y114-I152 HydrophobicContact CD2-CG2 4.24Å; Y114-I152 HydrophobicContact CE1-CD1 4.34Å; Y114-I152 HydrophobicContact CE1-CG1 4.24Å; Y114-I152 HydrophobicContact CE1-CG2 3.66Å; Y114-I152 HydrophobicContact CE2-CB 4.5Å; Y114-I152 HydrophobicContact CE2-CG1 4.07Å; Y114-I152 HydrophobicContact CE2-CG2 4.3Å; Y114-I152 HydrophobicContact CG-CG2 3.88Å; F126-I152 HydrophobicContact CB-CB 4.4Å; F126-I152 HydrophobicContact CB-CD1 3.65Å; F126-I152 HydrophobicContact CB-CG2 4.1Å; F126-I152 HydrophobicContact CD1-CG2 3.97Å; F126-I152 HydrophobicContact CD2-CG2 4.33Å; F126-I152 HydrophobicContact CG-CB 4.45Å; F126-I152 HydrophobicContact CG-CG2 3.87Å; V147-I152 HydrophobicContact CG1-CD1 4.38Å; V147-I152 HydrophobicContact CG1-CG1 4.03Å; A149-I152 WeakPolarHBondContact O-CB 3.39Å; A149-I152 PolarHBondContact O-N 3.14Å
153K95.7Very high93.1Very high116 Ų11655.6 Ų55.650%0.50428%0.276SS..  trans-138.2158.3179.8-62.2-178.8179.9176.60109.8K150 W151 G155 T156K150-K153 VanDerWaalsContact O-CE 3.28Å; K150-K153 WeakPolarHBondContact O-CE 3.37Å; W151-K153 PolarHBondContact O-N 3.24Å; W151-K153 VanDerWaalsContact O-N 3.08Å; K153-G155 PolarHBondContact O-N 2.82Å; K153-T156 WeakPolarHBondContact O-CB 2.87Å; K153-T156 PolarHBondContact O-N 2.93Å; K153-T156 PolarHBondContact O-OG1 3.39Å
154S97Very high92Very high54 Ų5453.7 Ų53.738%0.37828%0.279SS..THydrogen-bonded Turntrans-48.7135.2175.6-55.70000112.2Y114 N116 I117 T156Y114-S154 CarbonylContact O-C 3.48Å; N116-S154 WeakPolarHBondContact CA-OG 3.48Å; N116-S154 PolarHBondContact N-OG 2.89Å; I117-S154 PolarHBondContact N-OG 2.84Å; I117-S154 PolarHBondContact O-OG 2.9Å; I117-S154 VanDerWaalsContact O-OG 3.1Å; S154-T156 VanDerWaalsContact C-N 3.27Å; S154-T156 PolarHBondContact O-N 2.03Å
155G97.4Very high90.5Very high10 Ų1057.9 Ų57.910%0.10330%0.299CS..THydrogen-bonded Turntrans72.416.1-178.300000114.3H5 N6 Q7 Y114 K153H5-G155 CarbonylContact C-O 3.55Å; N6-G155 PolarHBondContact N-O 2.9Å; Q7-G155 PolarHBondContact N-O 3.49Å; Q7-G155 WeakPolarHBondContact O-CA 3.4Å; Y114-G155 PolarHBondContact O-N 3.47Å; K153-G155 PolarHBondContact O-N 2.82Å
156T98.1Very high89.1Confident0 Ų056.5 Ų56.50%029%0.291CS..EExtended strand (participates in β ladder)trans-91.7127.9175.7-56.60000111.1I3 Q4 H5 Y113 Y114 W151 K153 S154 V158I3-T156 HydrophobicContact CG2-CG2 3.86Å; Q4-T156 CarbonylContact O-C 3.43Å; Q4-T156 WeakPolarHBondContact O-CA 3.33Å; H5-T156 PolarHBondContact ND1-OG1 2.01Å; Y113-T156 WeakPolarHBondContact CA-O 2.99Å; Y113-T156 WeakPolarHBondContact CD2-O 3.36Å; Y114-T156 HydrophobicContact CD2-CG2 4.35Å; Y114-T156 WeakPolarHBondContact CD2-O 3.31Å; Y114-T156 PolarHBondContact N-O 3.48Å; Y114-T156 VanDerWaalsContact N-O 3.13Å; W151-T156 WeakPolarHBondContact O-CB 3.35Å; W151-T156 WeakPolarHBondContact O-CG2 3.16Å; W151-T156 PolarHBondContact O-OG1 3.31Å; K153-T156 WeakPolarHBondContact O-CB 2.87Å; K153-T156 PolarHBondContact O-N 2.93Å; K153-T156 PolarHBondContact O-OG1 3.39Å; S154-T156 VanDerWaalsContact C-N 3.27Å; S154-T156 PolarHBondContact O-N 2.03Å; T156-V158 HydrophobicContact CG2-CG2 4.08Å
157L98.3Very high87.9Confident18 Ų1849.2 Ų49.29%0.09426%0.264CS..EExtended strand (participates in β ladder)trans-112123.3172.6-179.566.7000109.2Q4 Q7 P10 F112 Y113 E159Q4-L157 PolarHBondContact N-O 2.9Å; Q4-L157 PolarHBondContact O-N 3Å; Q7-L157 HydrophobicContact CB-CB 4.07Å; Q7-L157 HydrophobicContact CG-CB 3.86Å; P10-L157 HydrophobicContact CG-CD1 4.39Å; F112-L157 WeakPolarHBondContact O-CA 3.28Å; Y113-L157 HydrophobicContact CD2-CB 4.26Å; Y113-L157 HydrophobicContact CD2-CD1 4.29Å; L157-E159 HydrophobicContact CD1-CG 4.46Å; L157-E159 HydrophobicContact CD2-CG 4.23Å; L157-E159 HydrophobicContact CG-CG 4Å
158V98.1Very high86.6Confident0 Ų051.6 Ų51.60%028%0.281CS..EExtended strand (participates in β ladder)trans-114.3126.5175.3-175.60000108.9M1 R2 I3 S111 F112 Y114 V147 T156 F160M1-V158 HydrophobicContact CG-CG1 3.93Å; M1-V158 HydrophobicContact SD-CG1 4.19Å; R2-V158 CarbonylContact O-C 3.58Å; R2-V158 WeakPolarHBondContact O-CA 3.28Å; I3-V158 HydrophobicContact CG1-CG1 4.15Å; I3-V158 HydrophobicContact CG1-CG2 4.16Å; I3-V158 HydrophobicContact CG2-CG2 4.33Å; S111-V158 CarbonylContact C-O 3.56Å; S111-V158 VanDerWaalsContact CA-O 3.22Å; S111-V158 WeakPolarHBondContact CA-O 3.43Å; F112-V158 HydrophobicContact CB-CB 4.33Å; F112-V158 HydrophobicContact CD2-CB 4.49Å; F112-V158 PolarHBondContact N-O 2.89Å; F112-V158 PolarHBondContact O-N 3.17Å; Y114-V158 HydrophobicContact CE2-CG2 4Å; V147-V158 HydrophobicContact CG1-CG1 4.47Å; V147-V158 HydrophobicContact CG1-CG2 3.9Å; V147-V158 HydrophobicContact CG2-CB 4.46Å; V147-V158 HydrophobicContact CG2-CG1 3.96Å; T156-V158 HydrophobicContact CG2-CG2 4.08Å; V158-F160 HydrophobicContact CG1-CD2 4.25Å; V158-F160 HydrophobicContact CG1-CE2 3.57Å; V158-F160 HydrophobicContact CG1-CZ 4.05Å
159E97.1Very high85.4Confident31 Ų3154.7 Ų54.715%0.14529%0.291CS..EExtended strand (participates in β ladder)trans-120.8127.8-177.9-57.8-176.698.100110.7M1 R2 Q4 K109 L157M1-E159 CarbonylContact C-O 3.57Å; M1-E159 VanDerWaalsContact CA-O 3.22Å; M1-E159 WeakPolarHBondContact CA-O 3.22Å; R2-E159 PolarHBondContact N-O 2.91Å; R2-E159 PolarHBondContact O-N 2.86Å; Q4-E159 PolarHBondContact NE2-OE2 2.82Å; K109-E159 IonicContact NZ-OE1 3.15Å; K109-E159 PolarHBondContact NZ-OE1 3.44Å; L157-E159 HydrophobicContact CD1-CG 4.46Å; L157-E159 HydrophobicContact CD2-CG 4.23Å; L157-E159 HydrophobicContact CG-CG 4Å
160F95Very high84.7Confident17 Ų1756.4 Ų56.48%0.07529%0.293CS..EExtended strand (participates in β ladder)trans-108.2115170.1-66.2-88000108.1M1 K109 I110 F112 I130 I145 V147 V158M1-F160 HydrophobicContact CB-CD1 3.94Å; M1-F160 HydrophobicContact CB-CE1 3.63Å; M1-F160 HydrophobicContact CB-CZ 4.31Å; M1-F160 HydrophobicContact CG-CD1 4.18Å; M1-F160 HydrophobicContact CG-CE1 3.57Å; M1-F160 HydrophobicContact CG-CE2 4.4Å; M1-F160 HydrophobicContact CG-CZ 3.72Å; M1-F160 HydrophobicContact SD-CE1 3.61Å; M1-F160 HydrophobicContact SD-CE2 4.45Å; M1-F160 HydrophobicContact SD-CZ 3.46Å; M1-F160 WeakPolarHBondContact SD-CZ 3.41Å; K109-F160 CarbonylContact C-O 3.57Å; K109-F160 VanDerWaalsContact CA-O 3.27Å; K109-F160 WeakPolarHBondContact CA-O 3.34Å; K109-F160 VanDerWaalsContact CG-O 3.32Å; K109-F160 WeakPolarHBondContact CG-O 3.27Å; I110-F160 HydrophobicContact CB-CB 4.46Å; I110-F160 PolarHBondContact N-O 3.46Å; I110-F160 PolarHBondContact O-N 2.9Å; F112-F160 AromaticContact CD2-CD2 3.95Å; F112-F160 HydrophobicContact CD2-CD2 3.95Å; F112-F160 AromaticContact CD2-CE2 3.67Å; F112-F160 HydrophobicContact CD2-CE2 3.67Å; F112-F160 AromaticContact CE2-CD2 3.64Å; F112-F160 HydrophobicContact CE2-CD2 3.64Å; F112-F160 AromaticContact CE2-CE2 3.46Å; F112-F160 HydrophobicContact CE2-CE2 3.46Å; F112-F160 VanDerWaalsContact CE2-CE2 3.46Å; I130-F160 HydrophobicContact CD1-CB 4.04Å; I130-F160 HydrophobicContact CD1-CD1 4.28Å; I130-F160 HydrophobicContact CD1-CD2 3.63Å; I130-F160 HydrophobicContact CD1-CE2 4.13Å; I130-F160 HydrophobicContact CD1-CG 3.7Å; I145-F160 HydrophobicContact CB-CE1 4.31Å; I145-F160 HydrophobicContact CG2-CD1 4.27Å; I145-F160 HydrophobicContact CG2-CE1 3.44Å; I145-F160 VanDerWaalsContact CG2-CE1 3.44Å; I145-F160 HydrophobicContact CG2-CZ 4.09Å; V147-F160 HydrophobicContact CG2-CE2 3.9Å; V147-F160 HydrophobicContact CG2-CZ 3.97Å; V158-F160 HydrophobicContact CG1-CD2 4.25Å; V158-F160 HydrophobicContact CG1-CE2 3.57Å; V158-F160 HydrophobicContact CG1-CZ 4.05Å
161E89.7Confident84Confident118 Ų11857.1 Ų57.155%0.55130%0.302SS*.  trans-92.3136.2174.1-170.6162.9-163.800109.3I163 W182E161-I163 PolarHBondContact O-N 3.18Å; E161-W182 WeakPolarHBondContact OE2-CH2 3.42Å; E161-W182 WeakPolarHBondContact OE2-CZ3 3.04Å
162A82.4Confident83.4Confident51 Ų5155 Ų5542%0.42130%0.3SS..  trans-69.2113.4172.200000108.1G164A162-G164 PolarHBondContact O-N 2.82Å; A162-G164 VanDerWaalsContact O-N 3.1Å
163I71.1Confident82.8Confident102 Ų10259 Ų5952%0.52332%0.32SS..  trans-72.3102.9164.4-56.6178.3000103.7E161 I166E161-I163 PolarHBondContact O-N 3.18Å; I163-I166 HydrophobicContact CB-CD1 4.45Å; I163-I166 HydrophobicContact CG2-CD1 3.39Å; I163-I166 HydrophobicContact CG2-CG1 3.91Å
164G64.1Low82.2Confident45 Ų4560.5 Ų60.546%0.46433%0.329SS..  trans-60.7-169.9177.100000111.7A162 I166A162-G164 PolarHBondContact O-N 2.82Å; A162-G164 VanDerWaalsContact O-N 3.1Å; G164-I166 PolarHBondContact O-N 3.21Å
165E62.4Low81.5Confident148 Ų14860.7 Ų60.769%0.69233%0.328SS*.SBendtrans-71.760.9169.6-58.9-173.4169.500111C167 S168 Q169E165-C167 PolarHBondContact O-N 2.75Å; E165-S168 PolarHBondContact O-N 2.91Å; E165-Q169 PolarHBondContact O-N 3.01Å
166I64.4Low80.7Confident27 Ų2760.2 Ų60.214%0.13832%0.323CS..THydrogen-bonded Turntrans-60-36.3-170.9-60.2-176000110.9I163 G164 Q169 Y170 I181I163-I166 HydrophobicContact CB-CD1 4.45Å; I163-I166 HydrophobicContact CG2-CD1 3.39Å; I163-I166 HydrophobicContact CG2-CG1 3.91Å; G164-I166 PolarHBondContact O-N 3.21Å; I166-Q169 VanDerWaalsContact O-CD 3.3Å; I166-Q169 WeakPolarHBondContact O-CG 3.32Å; I166-Q169 PolarHBondContact O-NE2 2.93Å; I166-Y170 WeakPolarHBondContact O-CD2 3.43Å; I166-Y170 VanDerWaalsContact O-CE2 3.27Å; I166-Y170 WeakPolarHBondContact O-CE2 3.49Å; I166-I181 HydrophobicContact CD1-CG2 4.13Å; I166-I181 HydrophobicContact CG2-CB 3.84Å; I166-I181 HydrophobicContact CG2-CD1 3.47Å; I166-I181 VanDerWaalsContact CG2-CD1 3.47Å; I166-I181 HydrophobicContact CG2-CG1 4.17Å; I166-I181 HydrophobicContact CG2-CG2 4.16Å
167C70.1Confident79.8Confident2 Ų263.4 Ų63.41%0.01434%0.344CS..THydrogen-bonded Turntrans-77-39.1174.8-61.80000111.5E165 Q169 Y170 C186 C195 I196 I197E165-C167 PolarHBondContact O-N 2.75Å; C167-Q169 PolarHBondContact O-N 2.94Å; C167-Y170 WeakPolarHBondContact O-CB 3.33Å; C167-Y170 WeakPolarHBondContact O-CD2 3.37Å; C167-Y170 PolarHBondContact O-N 3.48Å; C167-C186 WeakPolarHBondContact CA-SG 3.4Å; C167-C186 HydrophobicContact CB-CB 3.85Å; C167-C186 WeakPolarHBondContact CB-SG 3.34Å; C167-C186 WeakPolarHBondContact SG-CA 3.22Å; C167-C186 WeakPolarHBondContact SG-CB 3.32Å; C167-C186 CovalentContact SG-SG 2.03Å; C167-C186 PolarHBondContact SG-SG 3.44Å; C167-C195 CarbonylContact C-O 3.42Å; C167-C195 HydrophobicContact CB-CB 4.3Å; C167-C195 WeakPolarHBondContact CB-O 3.37Å; C167-C195 WeakPolarHBondContact O-CB 3.41Å; C167-C195 PolarHBondContact O-SG 2.71Å; C167-I196 PolarHBondContact SG-O 3.34Å; C167-I197 HydrophobicContact CB-CG1 4.1Å; C167-I197 VanDerWaalsContact SG-CA 3.6Å; C167-I197 WeakPolarHBondContact SG-CG1 3.26Å
168S67.9Low78.5Confident58 Ų5869 Ų6941%0.40637%0.374SS..THydrogen-bonded Turntrans-67.9-12.6-174.3-43.30000114.4E165 Y170 C195E165-S168 PolarHBondContact O-N 2.91Å; S168-Y170 PolarHBondContact O-N 3.23Å; S168-C195 PolarHBondContact N-O 3.42Å; S168-C195 PolarHBondContact OG-O 2.61Å
169Q68.7Low76.9Confident118 Ų11869.2 Ų69.255%0.55138%0.375SS*.THydrogen-bonded Turntrans-67.5-19.4168.680.9-166.1-3.500113.3E165 I166 C167E165-Q169 PolarHBondContact O-N 3.01Å; I166-Q169 VanDerWaalsContact O-CD 3.3Å; I166-Q169 WeakPolarHBondContact O-CG 3.32Å; I166-Q169 PolarHBondContact O-NE2 2.93Å; C167-Q169 PolarHBondContact O-N 2.94Å
170Y78.1Confident75Confident58 Ų5872.7 Ų72.723%0.22740%0.399CS..  trans-95.5115.1176-57.3-78.8000109.4I166 C167 S168 A179 C195I166-Y170 WeakPolarHBondContact O-CD2 3.43Å; I166-Y170 VanDerWaalsContact O-CE2 3.27Å; I166-Y170 WeakPolarHBondContact O-CE2 3.49Å; C167-Y170 WeakPolarHBondContact O-CB 3.33Å; C167-Y170 WeakPolarHBondContact O-CD2 3.37Å; C167-Y170 PolarHBondContact O-N 3.48Å; S168-Y170 PolarHBondContact O-N 3.23Å; Y170-A179 HydrophobicContact CD1-CB 4.34Å; Y170-A179 HydrophobicContact CD2-CB 3.41Å; Y170-A179 VanDerWaalsContact CD2-CB 3.41Å; Y170-A179 HydrophobicContact CE1-CB 4.01Å; Y170-A179 HydrophobicContact CE2-CB 3.04Å; Y170-A179 HydrophobicContact CG-CB 4.05Å; Y170-C195 WeakPolarHBondContact O-CB 3.27Å
171N78.3Confident73.4Confident125 Ų12574.1 Ų74.167%0.66841%0.407SS*.  trans-105.510-173.366.3-13.9000113.4W188N171-W188 VanDerWaalsContact C-CZ3 3.48Å; N171-W188 VanDerWaalsContact O-CH2 3.25Å; N171-W188 WeakPolarHBondContact O-CH2 3.36Å
172T82Confident71.8Confident50 Ų5077 Ų7731%0.30741%0.413SS..SBendtrans-128.7149.5176.972.90000111.9E174 T175 C176T172-E174 PolarHBondContact O-N 3.02Å; T172-E174 VanDerWaalsContact O-N 3.17Å; T172-T175 PolarHBondContact N-OG1 2.79Å; T172-T175 PolarHBondContact O-N 3.12Å; T172-T175 PolarHBondContact O-OG1 3.14Å; T172-T175 WeakPolarHBondContact OG1-CB 3.23Å; T172-T175 VanDerWaalsContact OG1-CG2 3.25Å; T172-T175 WeakPolarHBondContact OG1-CG2 3.45Å; T172-T175 PolarHBondContact OG1-N 2.93Å; T172-T175 VanDerWaalsContact OG1-N 3.14Å; T172-T175 PolarHBondContact OG1-OG1 3.39Å; T172-C176 VanDerWaalsContact O-CB 3.28Å; T172-C176 WeakPolarHBondContact O-CB 3.37Å; T172-C176 PolarHBondContact O-N 3.44Å
173I82.8Confident70.7Confident90 Ų9082.3 Ų82.346%0.46243%0.434SS..THydrogen-bonded Turntrans-56.7-27.2174.5-168.3165000112.9P177 W188I173-P177 WeakPolarHBondContact O-CD 3.31Å; I173-P177 WeakPolarHBondContact O-CG 3.21Å; I173-W188 HydrophobicContact CB-CD2 4.07Å; I173-W188 HydrophobicContact CB-CG 3.9Å; I173-W188 HydrophobicContact CD1-CG 4.4Å; I173-W188 HydrophobicContact CG1-CB 4.1Å; I173-W188 HydrophobicContact CG1-CD2 4.48Å; I173-W188 HydrophobicContact CG1-CG 3.78Å
174E83.5Confident70.4Confident149 Ų14978.7 Ų78.770%0.69642%0.417SS*.THydrogen-bonded Turntrans-83.6-38-179.4-62.7169.2178.300112.5T172 N178T172-E174 PolarHBondContact O-N 3.02Å; T172-E174 VanDerWaalsContact O-N 3.17Å; E174-N178 PolarHBondContact O-ND2 2.9Å
175T82.7Confident70.8Confident57 Ų5780 Ų8035%0.3542%0.416SS..Hα-helixtrans-82.7-30.9-177.257.10000112T172 N178 A179T172-T175 PolarHBondContact N-OG1 2.79Å; T172-T175 PolarHBondContact O-N 3.12Å; T172-T175 PolarHBondContact O-OG1 3.14Å; T172-T175 WeakPolarHBondContact OG1-CB 3.23Å; T172-T175 VanDerWaalsContact OG1-CG2 3.25Å; T172-T175 WeakPolarHBondContact OG1-CG2 3.45Å; T172-T175 PolarHBondContact OG1-N 2.93Å; T172-T175 VanDerWaalsContact OG1-N 3.14Å; T172-T175 PolarHBondContact OG1-OG1 3.39Å; T175-N178 PolarHBondContact O-N 3.31Å; T175-A179 PolarHBondContact O-N 2.86Å
176C80.8Confident71.5Confident0 Ų073 Ų730%038%0.384CS..Hα-helixtrans-60.4-50.4-175.8177.50000114.5T172 N178 A179 C186 T187 W188 C195T172-C176 VanDerWaalsContact O-CB 3.28Å; T172-C176 WeakPolarHBondContact O-CB 3.37Å; T172-C176 PolarHBondContact O-N 3.44Å; C176-N178 VanDerWaalsContact C-N 3.29Å; C176-N178 PolarHBondContact O-N 3.42Å; C176-A179 WeakPolarHBondContact O-CB 3.49Å; C176-A179 PolarHBondContact O-N 2.88Å; C176-C186 WeakPolarHBondContact O-CB 3.26Å; C176-T187 PolarHBondContact SG-O 3.1Å; C176-T187 VanDerWaalsContact SG-O 3.39Å; C176-W188 HydrophobicContact CB-CB 4.25Å; C176-W188 HydrophobicContact CB-CE3 3.8Å; C176-W188 PolarHBondContact SG-N 3.3Å; C176-C195 WeakPolarHBondContact CA-SG 3.32Å; C176-C195 HydrophobicContact CB-CB 3.55Å; C176-C195 WeakPolarHBondContact CB-SG 3.33Å; C176-C195 WeakPolarHBondContact SG-CA 3.49Å; C176-C195 WeakPolarHBondContact SG-CB 3.46Å; C176-C195 CovalentContact SG-SG 2.01Å; C176-C195 PolarHBondContact SG-SG 3.2Å
177P77.4Confident72.3Confident68 Ų6874.5 Ų74.544%0.44239%0.394SS..Hα-helixtrans-70.3-26.8-178.4-16.731.3000113I173 A179I173-P177 WeakPolarHBondContact O-CD 3.31Å; I173-P177 WeakPolarHBondContact O-CG 3.21Å; P177-A179 PolarHBondContact O-N 2.62Å
178N71.5Confident72.9Confident136 Ų13676.6 Ų76.673%0.72740%0.401SS*.Hα-helixtrans-76.4-11-179.7-72.1-39.8000112.8E174 T175 C176 T180E174-N178 PolarHBondContact O-ND2 2.9Å; T175-N178 PolarHBondContact O-N 3.31Å; C176-N178 VanDerWaalsContact C-N 3.29Å; C176-N178 PolarHBondContact O-N 3.42Å; N178-T180 PolarHBondContact O-N 2.66Å
179A65Low73.4Confident3 Ų374.1 Ų74.13%0.02538%0.384CS..  trans-75.990.3175.300000111.3Y170 T175 C176 P177 C186Y170-A179 HydrophobicContact CD1-CB 4.34Å; Y170-A179 HydrophobicContact CD2-CB 3.41Å; Y170-A179 VanDerWaalsContact CD2-CB 3.41Å; Y170-A179 HydrophobicContact CE1-CB 4.01Å; Y170-A179 HydrophobicContact CE2-CB 3.04Å; Y170-A179 HydrophobicContact CG-CB 4.05Å; T175-A179 PolarHBondContact O-N 2.86Å; C176-A179 WeakPolarHBondContact O-CB 3.49Å; C176-A179 PolarHBondContact O-N 2.88Å; P177-A179 PolarHBondContact O-N 2.62Å; A179-C186 HydrophobicContact CB-CB 4.21Å
180T57.4Low74Confident105 Ų10575.7 Ų75.764%0.64439%0.392SS*.EExtended strand (participates in β ladder)trans-102.1102.8167.1-49.80000108.8N178N178-T180 PolarHBondContact O-N 2.66Å
181I60.2Low73.9Confident46 Ų4680 Ų8024%0.23641%0.412CS..EExtended strand (participates in β ladder)trans-121.1119.2173.7-64.6168.9000108.4I166 N183 T184I166-I181 HydrophobicContact CD1-CG2 4.13Å; I166-I181 HydrophobicContact CG2-CB 3.84Å; I166-I181 HydrophobicContact CG2-CD1 3.47Å; I166-I181 VanDerWaalsContact CG2-CD1 3.47Å; I166-I181 HydrophobicContact CG2-CG1 4.17Å; I166-I181 HydrophobicContact CG2-CG2 4.16Å; I181-N183 PolarHBondContact O-N 2.87Å; I181-T184 VanDerWaalsContact O-CB 3.29Å; I181-T184 WeakPolarHBondContact O-CB 3.23Å; I181-T184 PolarHBondContact O-N 3.19Å; I181-T184 PolarHBondContact O-OG1 3.31Å
182W57.1Low73.6Confident179 Ų17975.1 Ų75.168%0.67839%0.39SS*.THydrogen-bonded Turntrans53.848.1171.5-56.65.8000113.5E161 T184E161-W182 WeakPolarHBondContact OE2-CH2 3.42Å; E161-W182 WeakPolarHBondContact OE2-CZ3 3.04Å; W182-T184 PolarHBondContact O-N 3.38Å
183N59.4Low73.5Confident163 Ų16380.1 Ų80.187%0.87241%0.41SS*.THydrogen-bonded Turntrans63.514.7-177.5-63.8-12.3000115.5I181I181-N183 PolarHBondContact O-N 2.87Å
184T64.1Low73.3Confident26 Ų2682.5 Ų82.516%0.1642%0.417CS..EExtended strand (participates in β ladder)trans-92.4120.9172.7-49.40000108.8I181 W182 I197I181-T184 VanDerWaalsContact O-CB 3.29Å; I181-T184 WeakPolarHBondContact O-CB 3.23Å; I181-T184 PolarHBondContact O-N 3.19Å; I181-T184 PolarHBondContact O-OG1 3.31Å; W182-T184 PolarHBondContact O-N 3.38Å; T184-I197 HydrophobicContact CG2-CB 4.11Å; T184-I197 HydrophobicContact CG2-CD1 4.27Å; T184-I197 HydrophobicContact CG2-CG1 3.85Å; T184-I197 HydrophobicContact CG2-CG2 3.33Å
185T72.8Confident73Confident71 Ų7175.4 Ų75.444%0.43638%0.384SS..EExtended strand (participates in β ladder)trans-87124.3172.8-49.60000108.8M198T185-M198 HydrophobicContact CG2-CG 4.37Å; T185-M198 HydrophobicContact CG2-SD 3.64Å; T185-M198 WeakPolarHBondContact O-CB 3.29Å; T185-M198 PolarHBondContact O-N 2.93Å
186C77.5Confident72.7Confident3 Ų376.2 Ų76.22%0.0239%0.386CS..EExtended strand (participates in β ladder)trans-88.9147.8171.3-66.20000110.6C167 C176 A179 I196C167-C186 WeakPolarHBondContact CA-SG 3.4Å; C167-C186 HydrophobicContact CB-CB 3.85Å; C167-C186 WeakPolarHBondContact CB-SG 3.34Å; C167-C186 WeakPolarHBondContact SG-CA 3.22Å; C167-C186 WeakPolarHBondContact SG-CB 3.32Å; C167-C186 CovalentContact SG-SG 2.03Å; C167-C186 PolarHBondContact SG-SG 3.44Å; C176-C186 WeakPolarHBondContact O-CB 3.26Å; A179-C186 HydrophobicContact CB-CB 4.21Å; C186-I196 CarbonylContact C-O 3.55Å; C186-I196 WeakPolarHBondContact CA-O 3.4Å
187T81.8Confident72.3Confident57 Ų5778.2 Ų78.235%0.3540%0.396SS..EExtended strand (participates in β ladder)trans-135.3139.1174.4-70.70000110.2C176 I196 M198C176-T187 PolarHBondContact SG-O 3.1Å; C176-T187 VanDerWaalsContact SG-O 3.39Å; T187-I196 PolarHBondContact N-O 3.32Å; T187-I196 VanDerWaalsContact O-CG1 3.3Å; T187-I196 WeakPolarHBondContact O-CG1 3.25Å; T187-I196 PolarHBondContact O-N 3.46Å; T187-M198 WeakPolarHBondContact OG1-CG 3.32Å; T187-M198 PolarHBondContact OG1-SD 3.42Å
188W81.9Confident71.7Confident46 Ų4678.1 Ų78.117%0.17439%0.39CS..EExtended strand (participates in β ladder)trans-75.7129.5177.9-175.8-106.3000110.4N171 I173 C176 E193 C195N171-W188 VanDerWaalsContact C-CZ3 3.48Å; N171-W188 VanDerWaalsContact O-CH2 3.25Å; N171-W188 WeakPolarHBondContact O-CH2 3.36Å; I173-W188 HydrophobicContact CB-CD2 4.07Å; I173-W188 HydrophobicContact CB-CG 3.9Å; I173-W188 HydrophobicContact CD1-CG 4.4Å; I173-W188 HydrophobicContact CG1-CB 4.1Å; I173-W188 HydrophobicContact CG1-CD2 4.48Å; I173-W188 HydrophobicContact CG1-CG 3.78Å; C176-W188 HydrophobicContact CB-CB 4.25Å; C176-W188 HydrophobicContact CB-CE3 3.8Å; C176-W188 PolarHBondContact SG-N 3.3Å; W188-E193 VanDerWaalsContact CH2-O 3.28Å; W188-E193 WeakPolarHBondContact CH2-O 3.28Å; W188-E193 HydrophobicContact CZ2-CB 4.19Å; W188-C195 HydrophobicContact CE3-CB 4.06Å; W188-C195 HydrophobicContact CZ3-CB 4.27Å
189C79.2Confident70.9Confident7 Ų780.3 Ų80.35%0.04739%0.39CS..EExtended strand (participates in β ladder)trans-97.4101173.5-1780000109.6K191 G192 E193 K194 I196 C207C189-K191 PolarHBondContact O-N 3.38Å; C189-G192 PolarHBondContact O-N 3.4Å; C189-E193 WeakPolarHBondContact O-CA 3.31Å; C189-E193 PolarHBondContact O-N 2.88Å; C189-K194 WeakPolarHBondContact CA-O 3.46Å; C189-K194 WeakPolarHBondContact CB-O 3.36Å; C189-K194 PolarHBondContact N-O 2.69Å; C189-K194 PolarHBondContact O-N 3.2Å; C189-I196 HydrophobicContact CB-CD1 4.38Å; C189-I196 HydrophobicContact CB-CG1 4.4Å; C189-I196 HydrophobicContact CB-CG2 4.42Å; C189-C207 VanDerWaalsContact CA-SG 3.55Å; C189-C207 HydrophobicContact CB-CB 4.25Å; C189-C207 WeakPolarHBondContact CB-SG 3.38Å; C189-C207 WeakPolarHBondContact SG-CB 3.49Å; C189-C207 CovalentContact SG-SG 2Å; C189-C207 PolarHBondContact SG-SG 3.48Å
190E80.4Confident70.2Confident151 Ų15187.5 Ų87.571%0.70643%0.428SS*.THydrogen-bonded Turntrans-58.7-48.3-178.1-72-174.2171.100112.4G192 E193E190-G192 VanDerWaalsContact C-N 3.26Å; E190-G192 PolarHBondContact O-N 2.82Å; E190-E193 PolarHBondContact O-N 2.88Å
191K76.3Confident69.8Low149 Ų14989.3 Ų89.365%0.64843%0.433SS*.THydrogen-bonded Turntrans-66.2-27.4-176.8-168.7172.9-179.2178.80113.8C189 V209C189-K191 PolarHBondContact O-N 3.38Å; K191-V209 HydrophobicContact CG-CG2 4.23Å
192G72.6Confident69.1Low21 Ų2194.6 Ų94.622%0.21646%0.457CS..THydrogen-bonded Turntrans-100.7-4.4179.700000114.1C189 E190 K194C189-G192 PolarHBondContact O-N 3.4Å; E190-G192 VanDerWaalsContact C-N 3.26Å; E190-G192 PolarHBondContact O-N 2.82Å; G192-K194 VanDerWaalsContact O-CG 3.29Å; G192-K194 WeakPolarHBondContact O-CG 3.46Å; G192-K194 PolarHBondContact O-N 2.8Å; G192-K194 VanDerWaalsContact O-N 3.13Å
193E79.9Confident68.6Low155 Ų15593.5 Ų93.572%0.72446%0.464SS*.THydrogen-bonded Turntrans44.240-171.2-60.9-174.7157.200113.2W188 C189 E190W188-E193 VanDerWaalsContact CH2-O 3.28Å; W188-E193 WeakPolarHBondContact CH2-O 3.28Å; W188-E193 HydrophobicContact CZ2-CB 4.19Å; C189-E193 WeakPolarHBondContact O-CA 3.31Å; C189-E193 PolarHBondContact O-N 2.88Å; E190-E193 PolarHBondContact O-N 2.88Å
194K77.7Confident67.7Low140 Ų14090.8 Ų90.861%0.60945%0.454SS*.EExtended strand (participates in β ladder)trans-135.6145.2-173.8-78.8174.7-174.6-174.30111.1C189 G192C189-K194 WeakPolarHBondContact CA-O 3.46Å; C189-K194 WeakPolarHBondContact CB-O 3.36Å; C189-K194 PolarHBondContact N-O 2.69Å; C189-K194 PolarHBondContact O-N 3.2Å; G192-K194 VanDerWaalsContact O-CG 3.29Å; G192-K194 WeakPolarHBondContact O-CG 3.46Å; G192-K194 PolarHBondContact O-N 2.8Å; G192-K194 VanDerWaalsContact O-N 3.13Å
195C76.4Confident66.9Low0 Ų098.5 Ų98.50%049%0.488CS..EExtended strand (participates in β ladder)trans-87.7125171.7-173.70000110.3C167 S168 Y170 C176 W188C167-C195 CarbonylContact C-O 3.42Å; C167-C195 HydrophobicContact CB-CB 4.3Å; C167-C195 WeakPolarHBondContact CB-O 3.37Å; C167-C195 WeakPolarHBondContact O-CB 3.41Å; C167-C195 PolarHBondContact O-SG 2.71Å; S168-C195 PolarHBondContact N-O 3.42Å; S168-C195 PolarHBondContact OG-O 2.61Å; Y170-C195 WeakPolarHBondContact O-CB 3.27Å; C176-C195 WeakPolarHBondContact CA-SG 3.32Å; C176-C195 HydrophobicContact CB-CB 3.55Å; C176-C195 WeakPolarHBondContact CB-SG 3.33Å; C176-C195 WeakPolarHBondContact SG-CA 3.49Å; C176-C195 WeakPolarHBondContact SG-CB 3.46Å; C176-C195 CovalentContact SG-SG 2.01Å; C176-C195 PolarHBondContact SG-SG 3.2Å; W188-C195 HydrophobicContact CE3-CB 4.06Å; W188-C195 HydrophobicContact CZ3-CB 4.27Å
196I76.7Confident65.6Low75 Ų7599.7 Ų99.739%0.38549%0.491SS..EExtended strand (participates in β ladder)trans-119.8156.8-175.561.2168.4000111.1C167 C186 T187 C189C167-I196 PolarHBondContact SG-O 3.34Å; C186-I196 CarbonylContact C-O 3.55Å; C186-I196 WeakPolarHBondContact CA-O 3.4Å; T187-I196 PolarHBondContact N-O 3.32Å; T187-I196 VanDerWaalsContact O-CG1 3.3Å; T187-I196 WeakPolarHBondContact O-CG1 3.25Å; T187-I196 PolarHBondContact O-N 3.46Å; C189-I196 HydrophobicContact CB-CD1 4.38Å; C189-I196 HydrophobicContact CB-CG1 4.4Å; C189-I196 HydrophobicContact CB-CG2 4.42Å
197I72.7Confident64.4Low42 Ų42101.1 Ų101.122%0.21550%0.501CS..EExtended strand (participates in β ladder)trans-75.9130.9173.5-67168.6000109.3C167 T184 Y199C167-I197 HydrophobicContact CB-CG1 4.1Å; C167-I197 VanDerWaalsContact SG-CA 3.6Å; C167-I197 WeakPolarHBondContact SG-CG1 3.26Å; T184-I197 HydrophobicContact CG2-CB 4.11Å; T184-I197 HydrophobicContact CG2-CD1 4.27Å; T184-I197 HydrophobicContact CG2-CG1 3.85Å; T184-I197 HydrophobicContact CG2-CG2 3.33Å; I197-Y199 HydrophobicContact CB-CE2 4.45Å; I197-Y199 HydrophobicContact CG2-CE2 4.3Å; I197-Y199 PolarHBondContact O-N 3.43Å
198M64.5Low62.6Low66 Ų66108.5 Ų108.533%0.32552%0.523SS..PPolyproline II helixtrans-71.7122.4166.1-71.7-171.977.300110.2T185 T187T185-M198 HydrophobicContact CG2-CG 4.37Å; T185-M198 HydrophobicContact CG2-SD 3.64Å; T185-M198 WeakPolarHBondContact O-CB 3.29Å; T185-M198 PolarHBondContact O-N 2.93Å; T187-M198 WeakPolarHBondContact OG1-CG 3.32Å; T187-M198 PolarHBondContact OG1-SD 3.42Å
199Y54.9Low60.6Low182 Ų182109.8 Ų109.871%0.71454%0.535SS*.PPolyproline II helixtrans-93121.9166.3-72.7-82.1000109.7I197 N201 Q202I197-Y199 HydrophobicContact CB-CE2 4.45Å; I197-Y199 HydrophobicContact CG2-CE2 4.3Å; I197-Y199 PolarHBondContact O-N 3.43Å; Y199-N201 PolarHBondContact O-N 2.97Å; Y199-Q202 PolarHBondContact O-N 2.85Å
200N50.1Low58.4Low154 Ų154115.1 Ų115.182%0.82456%0.56SS**THydrogen-bonded Turntrans44.950.5166.9-69.7-16000116.8Q202N200-Q202 VanDerWaalsContact O-CB 3.24Å; N200-Q202 WeakPolarHBondContact O-CB 3.38Å; N200-Q202 PolarHBondContact O-N 2.92Å
201N49.1Very low55.9Low143 Ų143116 Ų11677%0.76556%0.561SS**THydrogen-bonded Turntrans50.210.9172.6-84.1-0.9000116.6Y199Y199-N201 PolarHBondContact O-N 2.97Å
202Q45.4Very low53.7Low156 Ų156115 Ų11573%0.72957%0.568SS**  trans-152.972.6-164-152.1159.92.800107.9Y199 N200Y199-Q202 PolarHBondContact O-N 2.85Å; N200-Q202 VanDerWaalsContact O-CB 3.24Å; N200-Q202 WeakPolarHBondContact O-CB 3.38Å; N200-Q202 PolarHBondContact O-N 2.92Å
203D46.9Very low51.7Low156 Ų156118.7 Ų118.783%0.83459%0.59SS**  -165.1109120.8-89.3-27.4000108.2
204T40.9Very low49.2Very low106 Ų106117.5 Ų117.565%0.6559%0.589SS**  trans-85.6144.1172.8410000109.3D206T204-D206 PolarHBondContact O-N 2.74Å
205H46.5Very low47.1Very low188 Ų188116.8 Ų116.887%0.8760%0.595SS**SBendtrans79-14.4157.1-58.3-56.2000123.7
206D46.3Very low44.9Very low96 Ų96123.1 Ų123.151%0.51363%0.63SS.*  trans-124.377.4174.5-155.423.3000112.1T204 R208T204-D206 PolarHBondContact O-N 2.74Å; D206-R208 PolarHBondContact O-N 2.92Å; D206-R208 WeakPolarHBondContact OD2-CG 3.43Å; D206-R208 IonicContact OD2-NE 3.91Å; D206-R208 PolarHBondContact OD2-NE 3.43Å
207C51.9Low42.6Very low33 Ų33127.5 Ų127.522%0.22365%0.654CS.*  trans-56.588.8152.2-74.60000109.6C189 V209C189-C207 VanDerWaalsContact CA-SG 3.55Å; C189-C207 HydrophobicContact CB-CB 4.25Å; C189-C207 WeakPolarHBondContact CB-SG 3.38Å; C189-C207 WeakPolarHBondContact SG-CB 3.49Å; C189-C207 CovalentContact SG-SG 2Å; C189-C207 PolarHBondContact SG-SG 3.48Å; C207-V209 PolarHBondContact O-N 2.94Å
208R44.3Very low40.4Very low213 Ų213132.4 Ų132.480%0.80468%0.679SS**  trans-70.687.1165.8-76.9-173.7177.4-178.9-4108.3D206 E210D206-R208 PolarHBondContact O-N 2.92Å; D206-R208 WeakPolarHBondContact OD2-CG 3.43Å; D206-R208 IonicContact OD2-NE 3.91Å; D206-R208 PolarHBondContact OD2-NE 3.43Å; R208-E210 PolarHBondContact O-N 2.86Å
209V39.1Very low38.7Very low72 Ų72136.6 Ų136.644%0.43670%0.703SS.*  trans-56.9115.9154.5-177.10000105.5K191 C207 K211K191-V209 HydrophobicContact CG-CG2 4.23Å; C207-V209 PolarHBondContact O-N 2.94Å; V209-K211 PolarHBondContact O-N 2.85Å
210E34.8Very low37.4Very low120 Ų120133.3 Ų133.356%0.56171%0.707SS**  trans-55.4112.2162-90.8176.817700105.9G138 R208 T212G138-E210 PolarHBondContact N-OE1 2.83Å; R208-E210 PolarHBondContact O-N 2.86Å; E210-T212 PolarHBondContact O-N 2.84Å
211K26.9Very low36.2Very low170 Ų170131.2 Ų131.274%0.73970%0.704SS**  trans-54.7108.1169.1-82.6-170.4170.2-157.20106.8V209 S213 D214V209-K211 PolarHBondContact O-N 2.85Å; K211-S213 VanDerWaalsContact C-N 3.31Å; K211-S213 PolarHBondContact O-N 2.84Å; K211-D214 IonicContact NZ-OD2 3.54Å
212T30.4Very low35.1Very low128 Ų128130.6 Ų130.679%0.78571%0.706SS**  trans-56.3110146.144.90000104.6E210 D214E210-T212 PolarHBondContact O-N 2.84Å; T212-D214 PolarHBondContact O-N 2.79Å; T212-D214 VanDerWaalsContact O-N 3.14Å
213S30Very low33.9Very low98 Ų98128.4 Ų128.469%0.68570%0.703SS**  trans-39.4122.1175.344.30000109.9K211 V215K211-S213 VanDerWaalsContact C-N 3.31Å; K211-S213 PolarHBondContact O-N 2.84Å; S213-V215 PolarHBondContact O-N 2.88Å
214D27.9Very low32.8Very low130 Ų130127.7 Ų127.770%0.69571%0.705SS**  trans-45109177.1-59.8-57000109.9K211 T212K211-D214 IonicContact NZ-OD2 3.54Å; T212-D214 PolarHBondContact O-N 2.79Å; T212-D214 VanDerWaalsContact O-N 3.14Å
215V33.1Very low31.8Very low124 Ų124130.7 Ų130.775%0.75271%0.711SS**  trans-112.892.1161.6-179.40000106.6S213S213-V215 PolarHBondContact O-N 2.88Å
216N30Very low31Very low134 Ų134131.1 Ų131.172%0.71771%0.713SS**  trans6385.9155.7-63-12.4000118.2L218N216-L218 PolarHBondContact O-N 2.95Å
217D28.7Very low29.8Very low167 Ų167129.8 Ų129.889%0.89372%0.723SS**  trans-63.198.1133.1-78-38.5000109.1
218L27.7Very low28.4Very low144 Ų144137 Ų13775%0.75475%0.753SS**  trans-16584.6158.7-108.3142.1000109.4N216N216-L218 PolarHBondContact O-N 2.95Å
219N27.4Very low27.4Very low155 Ų155132.3 Ų132.383%0.82975%0.748SS**  trans147.497.4137.2-80.7-4.9000111.6
220S29.2Very low26.7Very low112 Ų112134.6 Ų134.678%0.78376%0.762SS**  -158.2100.1126.8-179.30000107.9T222S220-T222 PolarHBondContact O-N 2.63Å
221S23.3Very low26.1Very low111 Ų111134.7 Ų134.778%0.77678%0.776SS**  trans-56.9127.2165.860.80000109.5
222T26.8Very low25.8Very low130 Ų130129.8 Ų129.880%0.79878%0.775SS**  trans-140.1103.6150-48.60000108.3S220S220-T222 PolarHBondContact O-N 2.63Å
223T19.5Very low25.5Very low110 Ų110131.3 Ų131.368%0.67578%0.776SS**  trans-42.1135167.6-450000112.7
224T25.1Very low25.2Very low141 Ų141132.7 Ų132.787%0.86578%0.781SS**  trans-155.9125.1133.3-61.50000108.8
225E19.7Very low25Very low168 Ų168134.9 Ų134.979%0.78579%0.786SS**  trans-75.3138.5-179.6-63.5167.1130.700113.1
226H28.9Very low24.6Very low197 Ų197134.6 Ų134.691%0.91279%0.785SS**  trans-160.2121140.8-110.433.8000104.3
227G22.5Very low24.1Very low69 Ų69136.8 Ų136.871%0.71179%0.791SS**  cis126.990.536.500000105.9
228E22Very low23.9Very low184 Ų184134.5 Ų134.586%0.8678%0.783SS**  trans49.9119.6145-82.7-170.6170.300122.4
229T21.8Very low23.5Very low115 Ų115132.9 Ų132.971%0.70678%0.783SS**  103.2124.1114.2-61.10000120.6
230T25.1Very low23.5Very low119 Ų119134.4 Ų134.473%0.7379%0.785SS**  trans93.6103.9152.9-49.40000120.2
231S22.1Very low23.1Very low122 Ų122136.7 Ų136.785%0.85379%0.789SS**  trans6.9136133.1-59.30000120.1
232G21.8Very low23Very low68 Ų68139.2 Ų139.270%0.70179%0.793SS**  trans137.889.6139.300000116.1
233I23.1Very low23Very low160 Ų160140.7 Ų140.782%0.82179%0.792SS**  trans40.8112.5134-52167.2000116.8
234T24.8Very low23.2Very low127 Ų127144.7 Ų144.778%0.77980%0.801SS**  -155.2111.5122.4-21.20000110.6
235E22.1Very low22.9Very low175 Ų175144.4 Ų144.482%0.81880%0.799SS**  trans-75120.4165.9-165.6174.1-155.700107.4
236V24.9Very low23.1Very low119 Ų119142.4 Ų142.472%0.72180%0.798SS**  trans-117.194172.7178.60000107.6V238V236-V238 HydrophobicContact CG1-CG2 3.93Å
237Q19.4Very low22.7Very low180 Ų180141.3 Ų141.384%0.84179%0.794SS**  trans-86.3122.6154.5-72.1-149.3-37.700108.2
238V24.3Very low22.9Very low119 Ų119146.3 Ų146.372%0.72180%0.799SS**  trans-126.4102.7160.2177.80000107.2V236V236-V238 HydrophobicContact CG1-CG2 3.93Å
239S20.6Very low23Very low109 Ų109142.7 Ų142.776%0.76279%0.789SS**  trans-78.9135.3155.153.70000109
240E26.3Very low23Very low187 Ų187143.4 Ų143.487%0.87479%0.788SS**  trans-152.7123.5151.2-120.4174.1-169.800111.2
241N20.8Very low23Very low160 Ų160146.5 Ų146.586%0.85679%0.792SS**  trans-89.5131.7173-71-46.7000109.5
242L22.1Very low23.4Very low164 Ų164149.9 Ų149.986%0.85979%0.794SS**  trans-169.6129.9152.6-143.567.7000105.9
243M26.1Very low23.4Very low161 Ų161151.8 Ų151.879%0.79380%0.797SS**  -178.6119.859-170.2164.9163.600110.2
244K23.9Very low23.7Very low195 Ų195150 Ų15085%0.84879%0.794SS**  45.5122.2128.6-94.5176.3177.3179.20122
245T18.2Very low23.8Very low134 Ų134149.5 Ų149.582%0.82279%0.79SS**  trans-56.1133.9151.5-41.50000113.8
246T24.1Very low24.2Very low127 Ų127150.6 Ų150.678%0.77979%0.793SS**  trans-152.2152.2143.6-44.80000110.1
247E21.6Very low24.6Very low174 Ų174150.2 Ų150.281%0.81379%0.79SS**  trans-68.4165.8-164.4-62.5149.4139.300117.5
248E26.4Very low25.4Very low174 Ų174148 Ų14881%0.81379%0.789SS**  134.5101.2121.6-144170.5-15900115.9
249T23Very low26.3Very low107 Ų107150.1 Ų150.166%0.65679%0.792SS**  67.1112.8125.4-42.10000122.5
250D22.7Very low27.5Very low130 Ų130152.6 Ų152.670%0.69579%0.791SS**  trans74.9130.9133.2-78.5-10.1000125.1
251K25.1Very low28.5Very low184 Ų184149.9 Ų149.980%0.878%0.783SS**  trans75.7105.6146.6-69.7166.8-173176.50117.7
252Q30Very low29.9Very low193 Ų193151.1 Ų151.190%0.90278%0.78SS**  -163.4126.5104.2-157.5139.6-12.200111.9
253S22.1Very low31.4Very low109 Ų109149.3 Ų149.376%0.76277%0.767SS**  trans-63.5144.1166.1178.90000111
254T29Very low32.9Very low123 Ų123148.4 Ų148.476%0.75576%0.761SS**  trans-179.1110.5132.6-650000110.8
255T28Very low34.9Very low115 Ų115146.8 Ų146.871%0.70675%0.754SS**  trans54.987.4143.5-37.70000120.2
256K29.3Very low37.4Very low199 Ų199143.5 Ų143.587%0.86574%0.736SS**  trans-106.798.2148.1-91.9-176.2176178.20108.5
257T32.9Very low39.8Very low110 Ų110141.5 Ų141.568%0.67572%0.718SS**  trans-142.868.9173.6-40.20000110.5
258T37.9Very low42.5Very low133 Ų133140.3 Ų140.382%0.81671%0.706SS**SBendtrans-155.27156.5-24.50000115.2
259E42.8Very low45Very low165 Ų165138.9 Ų138.977%0.77169%0.694SS**SBendtrans-95.8-18.9179.8-129.4164.4-17300114.2N261E259-N261 PolarHBondContact O-N 3.01Å
260E44.6Very low47.8Very low160 Ų160138.5 Ų138.575%0.74869%0.688SS**Hα-helixtrans-69.3-26.7-177.5-72.6-176.4144.800114.3K262 H264E260-K262 PolarHBondContact O-N 3.34Å; E260-H264 PolarHBondContact O-N 3.05Å
261N47.7Very low50.8Low131 Ų131140.3 Ų140.370%0.70169%0.686SS**Hα-helixtrans-74.9-24.6-172.4-94-30.6000114.9E259E259-N261 PolarHBondContact O-N 3.01Å
262K50.9Low53.7Low185 Ų185134.5 Ų134.580%0.80467%0.666SS**Hα-helixtrans-80.9-38.9177.2-83.7-175.5179.6175.90112E260 K265 S266E260-K262 PolarHBondContact O-N 3.34Å; K262-K265 PolarHBondContact O-N 3.3Å; K262-S266 PolarHBondContact O-N 3.02Å
263Q52.7Low56.4Low126 Ų126127.1 Ų127.159%0.58963%0.634SS**Hα-helixtrans-66.4-40.3179.9-165.6170.50.700111.1K265 S266 H267Q263-K265 VanDerWaalsContact C-N 3.33Å; Q263-K265 PolarHBondContact O-N 3.41Å; Q263-S266 PolarHBondContact O-N 2.81Å; Q263-H267 PolarHBondContact O-CD2 3.04Å; Q263-H267 PolarHBondContact O-N 2.83Å
264H58.1Low59.6Low143 Ų143126.2 Ų126.266%0.66262%0.619SS**Hα-helixtrans-62.9-35.5179-158-81.7000113.3E260 W268E260-H264 PolarHBondContact O-N 3.05Å; H264-W268 VanDerWaalsContact O-CB 3.27Å; H264-W268 WeakPolarHBondContact O-CB 3.22Å; H264-W268 PolarHBondContact O-N 3.25Å
265K65.4Low62.6Low161 Ų161123.7 Ų123.770%0.761%0.605SS**Hα-helixtrans-68.2-40.4175.4-86.4-174.1177.9179.70113K262 Q263 Y269K262-K265 PolarHBondContact O-N 3.3Å; Q263-K265 VanDerWaalsContact C-N 3.33Å; Q263-K265 PolarHBondContact O-N 3.41Å; K265-Y269 PolarHBondContact O-N 2.94Å; K265-Y269 VanDerWaalsContact O-N 3.16Å
266S72.3Confident65.6Low65 Ų65123 Ų12346%0.45560%0.596SS.*Hα-helixtrans-63.5-48177.6175.10000111.3K262 Q263 Y269 L270K262-S266 PolarHBondContact O-N 3.02Å; Q263-S266 PolarHBondContact O-N 2.81Å; S266-Y269 PolarHBondContact O-N 3Å; S266-L270 PolarHBondContact O-N 2.74Å
267H73.5Confident68.6Low84 Ų84116.9 Ų116.939%0.38958%0.576SS.*Hα-helixtrans-65-42.3178.4-77.4-111.9000111.5Q263 Y269 L270 Y271Q263-H267 PolarHBondContact O-CD2 3.04Å; Q263-H267 PolarHBondContact O-N 2.83Å; H267-Y269 VanDerWaalsContact C-N 3.3Å; H267-Y269 PolarHBondContact O-N 3.37Å; H267-L270 PolarHBondContact O-N 3.26Å; H267-Y271 HydrophobicContact CB-CD2 4.21Å; H267-Y271 HydrophobicContact CB-CE2 4.34Å; H267-Y271 AromaticContact ND1-CE2 3.68Å; H267-Y271 WeakPolarHBondContact O-CD2 3.4Å; H267-Y271 PolarHBondContact O-N 3.06Å
268W77.5Confident71.4Confident149 Ų149114 Ų11456%0.56456%0.563SS**Hα-helixtrans-58.6-40.1177179.968.7000112.8H264 V272H264-W268 VanDerWaalsContact O-CB 3.27Å; H264-W268 WeakPolarHBondContact O-CB 3.22Å; H264-W268 PolarHBondContact O-N 3.25Å; W268-V272 HydrophobicContact CG-CG2 4.44Å; W268-V272 VanDerWaalsContact O-CB 3.25Å; W268-V272 WeakPolarHBondContact O-CB 3.28Å; W268-V272 PolarHBondContact O-N 3.07Å
269Y78.7Confident74Confident144 Ų144110 Ų11057%0.56554%0.54SS*.Iπ-helixtrans-66.1-44.7177.7-163-93.7000112.2K265 S266 H267 V273 I274K265-Y269 PolarHBondContact O-N 2.94Å; K265-Y269 VanDerWaalsContact O-N 3.16Å; S266-Y269 PolarHBondContact O-N 3Å; H267-Y269 VanDerWaalsContact C-N 3.3Å; H267-Y269 PolarHBondContact O-N 3.37Å; Y269-V273 HydrophobicContact CD2-CB 4.09Å; Y269-V273 HydrophobicContact CD2-CG1 4.34Å; Y269-V273 HydrophobicContact CD2-CG2 3.82Å; Y269-V273 HydrophobicContact CE2-CB 4.2Å; Y269-V273 HydrophobicContact CE2-CG1 3.94Å; Y269-V273 HydrophobicContact CE2-CG2 4.2Å; Y269-V273 HydrophobicContact CG-CB 4.37Å; Y269-V273 HydrophobicContact CG-CG2 4.35Å; Y269-V273 WeakPolarHBondContact O-CB 3.18Å; Y269-V273 PolarHBondContact O-N 2.87Å; Y269-I274 PolarHBondContact O-N 3.29Å
270L82.6Confident76.5Confident99 Ų99107.5 Ų107.552%0.51853%0.532SS..Iπ-helixtrans-64.9-42.8-179.7-107149.4000112.9S266 H267 I274S266-L270 PolarHBondContact O-N 2.74Å; H267-L270 PolarHBondContact O-N 3.26Å; L270-I274 HydrophobicContact CD2-CD1 4.09Å; L270-I274 HydrophobicContact CG-CD1 4.35Å
271Y86.1Confident78.8Confident169 Ų169106.4 Ų106.466%0.66353%0.525SS*.Iπ-helixtrans-93.9-20.9-172.7-67.2-71.2000114.6H267 P275H267-Y271 HydrophobicContact CB-CD2 4.21Å; H267-Y271 HydrophobicContact CB-CE2 4.34Å; H267-Y271 AromaticContact ND1-CE2 3.68Å; H267-Y271 WeakPolarHBondContact O-CD2 3.4Å; H267-Y271 PolarHBondContact O-N 3.06Å; Y271-P275 WeakPolarHBondContact O-CG 3.48Å
272V85.7Confident81Confident61 Ų61106.1 Ų106.137%0.3752%0.522SS..Iπ-helixtrans-110.1-47.6-177-174.70000112W268 L276W268-V272 HydrophobicContact CG-CG2 4.44Å; W268-V272 VanDerWaalsContact O-CB 3.25Å; W268-V272 WeakPolarHBondContact O-CB 3.28Å; W268-V272 PolarHBondContact O-N 3.07Å; V272-L276 HydrophobicContact CG1-CD1 3.95Å; V272-L276 WeakPolarHBondContact O-CB 3.49Å; V272-L276 WeakPolarHBondContact O-CD1 3.43Å; V272-L276 WeakPolarHBondContact O-CG 3.47Å; V272-L276 PolarHBondContact O-N 2.81Å
273V86.3Confident83.1Confident38 Ų38102.4 Ų102.423%0.2351%0.51CS..Iπ-helixtrans-75.6-44.6-171.7-177.30000111.6Y269 L276 V277Y269-V273 HydrophobicContact CD2-CB 4.09Å; Y269-V273 HydrophobicContact CD2-CG1 4.34Å; Y269-V273 HydrophobicContact CD2-CG2 3.82Å; Y269-V273 HydrophobicContact CE2-CB 4.2Å; Y269-V273 HydrophobicContact CE2-CG1 3.94Å; Y269-V273 HydrophobicContact CE2-CG2 4.2Å; Y269-V273 HydrophobicContact CG-CB 4.37Å; Y269-V273 HydrophobicContact CG-CG2 4.35Å; Y269-V273 WeakPolarHBondContact O-CB 3.18Å; Y269-V273 PolarHBondContact O-N 2.87Å; V273-L276 PolarHBondContact O-N 3.18Å; V273-V277 HydrophobicContact CG1-CG2 4.37Å; V273-V277 WeakPolarHBondContact O-CG2 3.31Å; V273-V277 PolarHBondContact O-N 2.84Å
274I88.7Confident85.1Confident90 Ų9099.2 Ų99.246%0.46250%0.501SS..Hα-helixtrans-62-47.8-178.7-60.2175000111.8Y269 L270 L276 V277 A278Y269-I274 PolarHBondContact O-N 3.29Å; L270-I274 HydrophobicContact CD2-CD1 4.09Å; L270-I274 HydrophobicContact CG-CD1 4.35Å; I274-L276 PolarHBondContact O-N 3.36Å; I274-V277 PolarHBondContact O-N 2.97Å; I274-A278 WeakPolarHBondContact O-CB 3.48Å; I274-A278 PolarHBondContact O-N 3.4Å
275P92Very high86.8Confident70 Ų7097 Ų9746%0.45549%0.493SS..Hα-helixtrans-65.1-35.8177.7-25.438.2000113.5Y271 A278 S279Y271-P275 WeakPolarHBondContact O-CG 3.48Å; P275-A278 PolarHBondContact O-N 2.98Å; P275-S279 WeakPolarHBondContact O-CB 3.15Å; P275-S279 PolarHBondContact O-N 2.93Å
276L92.2Very high88Confident100 Ų10091.1 Ų91.152%0.52448%0.479SS..Hα-helixtrans-61.2-47.9175.1-85.9167.6000111.3V272 V273 I274 A278 S279 L280V272-L276 HydrophobicContact CG1-CD1 3.95Å; V272-L276 WeakPolarHBondContact O-CB 3.49Å; V272-L276 WeakPolarHBondContact O-CD1 3.43Å; V272-L276 WeakPolarHBondContact O-CG 3.47Å; V272-L276 PolarHBondContact O-N 2.81Å; V273-L276 PolarHBondContact O-N 3.18Å; I274-L276 PolarHBondContact O-N 3.36Å; L276-A278 PolarHBondContact O-N 2.73Å; L276-S279 PolarHBondContact O-N 3.03Å; L276-S279 PolarHBondContact O-OG 2.69Å; L276-L280 PolarHBondContact O-N 2.82Å
277V92.1Very high89Confident72 Ų7291.3 Ų91.344%0.43648%0.479SS..Hα-helixtrans-62.1-45.2177.9173.30000110.8V273 I274 S279 L280 F281V273-V277 HydrophobicContact CG1-CG2 4.37Å; V273-V277 WeakPolarHBondContact O-CG2 3.31Å; V273-V277 PolarHBondContact O-N 2.84Å; I274-V277 PolarHBondContact O-N 2.97Å; V277-S279 PolarHBondContact O-N 2.89Å; V277-L280 WeakPolarHBondContact O-CB 3.32Å; V277-L280 PolarHBondContact O-N 2.91Å; V277-F281 HydrophobicContact CG1-CD2 3.76Å; V277-F281 HydrophobicContact CG1-CE2 3.45Å; V277-F281 VanDerWaalsContact CG1-CE2 3.45Å; V277-F281 WeakPolarHBondContact O-CD2 3.47Å; V277-F281 PolarHBondContact O-N 2.84Å; V277-F281 VanDerWaalsContact O-N 3.08Å
278A92.4Very high90Very high48 Ų4892.9 Ų92.940%0.39749%0.49SS..Hα-helixtrans-60-42.5176.600000112.4I274 P275 L276 L280 F281 L282I274-A278 WeakPolarHBondContact O-CB 3.48Å; I274-A278 PolarHBondContact O-N 3.4Å; P275-A278 PolarHBondContact O-N 2.98Å; L276-A278 PolarHBondContact O-N 2.73Å; A278-L280 VanDerWaalsContact C-N 3.3Å; A278-L280 PolarHBondContact O-N 2.8Å; A278-F281 PolarHBondContact O-N 2.82Å; A278-L282 WeakPolarHBondContact O-CG 3.14Å; A278-L282 PolarHBondContact O-N 2.91Å
279S92.4Very high90.7Very high49 Ų4989.4 Ų89.434%0.34348%0.484SS..Hα-helixtrans-62-38.3176.675.90000112.4P275 L276 V277 L282 I283P275-S279 WeakPolarHBondContact O-CB 3.15Å; P275-S279 PolarHBondContact O-N 2.93Å; L276-S279 PolarHBondContact O-N 3.03Å; L276-S279 PolarHBondContact O-OG 2.69Å; V277-S279 PolarHBondContact O-N 2.89Å; S279-L282 PolarHBondContact O-N 3.08Å; S279-I283 VanDerWaalsContact O-CG1 3.27Å; S279-I283 WeakPolarHBondContact O-CG1 3.22Å; S279-I283 PolarHBondContact O-N 2.98Å
280L93.9Very high91.2Very high113 Ų11391 Ų9159%0.59249%0.489SS*.Hα-helixtrans-67.7-39.9179.3-137.5134.1000111.3L276 V277 A278 I283 C284L276-L280 PolarHBondContact O-N 2.82Å; V277-L280 WeakPolarHBondContact O-CB 3.32Å; V277-L280 PolarHBondContact O-N 2.91Å; A278-L280 VanDerWaalsContact C-N 3.3Å; A278-L280 PolarHBondContact O-N 2.8Å; L280-I283 PolarHBondContact O-N 3.27Å; L280-C284 WeakPolarHBondContact O-CB 3.46Å; L280-C284 PolarHBondContact O-N 3.13Å; L280-C284 PolarHBondContact O-SG 3.02Å
281F93.9Very high91.6Very high138 Ų13895 Ų9561%0.60550%0.498SS*.Hα-helixtrans-63-42.9172.7-80.8-69000112.4V277 A278 I283 C284 I285V277-F281 HydrophobicContact CG1-CD2 3.76Å; V277-F281 HydrophobicContact CG1-CE2 3.45Å; V277-F281 VanDerWaalsContact CG1-CE2 3.45Å; V277-F281 WeakPolarHBondContact O-CD2 3.47Å; V277-F281 PolarHBondContact O-N 2.84Å; V277-F281 VanDerWaalsContact O-N 3.08Å; A278-F281 PolarHBondContact O-N 2.82Å; F281-I283 PolarHBondContact O-N 2.97Å; F281-C284 PolarHBondContact O-N 2.82Å; F281-I285 VanDerWaalsContact O-CG1 3.29Å; F281-I285 WeakPolarHBondContact O-CG1 3.38Å; F281-I285 PolarHBondContact O-N 3.43Å
282L94.3Very high91.7Very high124 Ų12494.8 Ų94.865%0.64950%0.496SS*.Hα-helixtrans-63.7-40.1176.9-69.7172.9000112.1A278 S279 I285 G286A278-L282 WeakPolarHBondContact O-CG 3.14Å; A278-L282 PolarHBondContact O-N 2.91Å; S279-L282 PolarHBondContact O-N 3.08Å; L282-I285 PolarHBondContact O-N 2.85Å; L282-G286 PolarHBondContact O-N 2.93Å
283I94.4Very high91.8Very high107 Ų10796.1 Ų96.155%0.54950%0.501SS..Hα-helixtrans-62.9-45.9174.2-68164.2000110.3S279 L280 F281 I285 G286 C287S279-I283 VanDerWaalsContact O-CG1 3.27Å; S279-I283 WeakPolarHBondContact O-CG1 3.22Å; S279-I283 PolarHBondContact O-N 2.98Å; L280-I283 PolarHBondContact O-N 3.27Å; F281-I283 PolarHBondContact O-N 2.97Å; I283-I285 PolarHBondContact O-N 2.76Å; I283-G286 PolarHBondContact O-N 3.12Å; I283-C287 PolarHBondContact O-N 2.77Å; I283-C287 PolarHBondContact O-SG 3.13Å
284C93.7Very high91.7Very high59 Ų5998.6 Ų98.640%0.39951%0.512SS..Hα-helixtrans-59.3-45.7177.1-75.30000112.2L280 F281 C287 I288L280-C284 WeakPolarHBondContact O-CB 3.46Å; L280-C284 PolarHBondContact O-N 3.13Å; L280-C284 PolarHBondContact O-SG 3.02Å; F281-C284 PolarHBondContact O-N 2.82Å; C284-C287 PolarHBondContact O-N 2.98Å; C284-I288 VanDerWaalsContact O-CG1 3.26Å; C284-I288 WeakPolarHBondContact O-CG1 3.47Å; C284-I288 PolarHBondContact O-N 3.43Å
285I94.3Very high91.5Very high96 Ų96103.7 Ų103.749%0.49253%0.525SS..Hα-helixtrans-62-45.5176.2-66.6165.6000110.1F281 L282 I283 C287 I288 V289F281-I285 VanDerWaalsContact O-CG1 3.29Å; F281-I285 WeakPolarHBondContact O-CG1 3.38Å; F281-I285 PolarHBondContact O-N 3.43Å; L282-I285 PolarHBondContact O-N 2.85Å; I283-I285 PolarHBondContact O-N 2.76Å; I285-C287 VanDerWaalsContact C-N 3.33Å; I285-C287 PolarHBondContact O-N 3.28Å; I285-I288 PolarHBondContact O-N 3.04Å; I285-V289 HydrophobicContact CG2-CG2 4.36Å; I285-V289 WeakPolarHBondContact O-CG2 3.14Å; I285-V289 PolarHBondContact O-N 2.85Å
286G92Very high91Very high39 Ų39107.7 Ų107.740%0.40253%0.531SS..Hα-helixtrans-57.2-43.917500000112.7L282 I283 V289 W290L282-G286 PolarHBondContact O-N 2.93Å; I283-G286 PolarHBondContact O-N 3.12Å; G286-V289 PolarHBondContact O-N 2.83Å; G286-W290 WeakPolarHBondContact O-CB 3.2Å; G286-W290 PolarHBondContact O-N 3.44Å
287C93.2Very high90.3Very high69 Ų69111.1 Ų111.147%0.46654%0.542SS..Hα-helixtrans-64.7-38.9175.9-710000112.7I283 C284 I285 R291I283-C287 PolarHBondContact O-N 2.77Å; I283-C287 PolarHBondContact O-SG 3.13Å; C284-C287 PolarHBondContact O-N 2.98Å; I285-C287 VanDerWaalsContact C-N 3.33Å; I285-C287 PolarHBondContact O-N 3.28Å; C287-R291 WeakPolarHBondContact O-CB 3.28Å; C287-R291 VanDerWaalsContact O-CG 3.31Å; C287-R291 WeakPolarHBondContact O-CG 3.35Å; C287-R291 PolarHBondContact O-N 2.83Å
288I93Very high89.5Confident117 Ų117118 Ų11860%0.656%0.56SS**Hα-helixtrans-65.5-48.7176.9-68.7164.3000110C284 I285 W290 R291 W292C284-I288 VanDerWaalsContact O-CG1 3.26Å; C284-I288 WeakPolarHBondContact O-CG1 3.47Å; C284-I288 PolarHBondContact O-N 3.43Å; I285-I288 PolarHBondContact O-N 3.04Å; I288-W290 PolarHBondContact O-N 2.83Å; I288-R291 PolarHBondContact O-N 2.85Å; I288-W292 WeakPolarHBondContact O-CB 3.48Å; I288-W292 PolarHBondContact O-N 2.86Å
289V91.9Very high88.5Confident75 Ų75120.3 Ų120.346%0.45557%0.573SS.*Hα-helixtrans-62.9-43.2178.4175.20000110.9I285 G286 W292 L293I285-V289 HydrophobicContact CG2-CG2 4.36Å; I285-V289 WeakPolarHBondContact O-CG2 3.14Å; I285-V289 PolarHBondContact O-N 2.85Å; G286-V289 PolarHBondContact O-N 2.83Å; V289-W292 WeakPolarHBondContact O-CB 3.29Å; V289-W292 PolarHBondContact O-N 3.29Å; V289-L293 HydrophobicContact CG1-CD1 4.1Å; V289-L293 HydrophobicContact CG1-CG 4.45Å; V289-L293 WeakPolarHBondContact O-CG 3.47Å; V289-L293 PolarHBondContact O-N 3.08Å
290W91.2Very high87.2Confident177 Ų177124.7 Ų124.767%0.6759%0.593SS**Hα-helixtrans-60.9-46175.8-177-86.3000112.2G286 I288 W292 L293 L294G286-W290 WeakPolarHBondContact O-CB 3.2Å; G286-W290 PolarHBondContact O-N 3.44Å; I288-W290 PolarHBondContact O-N 2.83Å; W290-W292 VanDerWaalsContact C-N 3.27Å; W290-W292 PolarHBondContact O-N 3.01Å; W290-L293 PolarHBondContact O-N 2.91Å; W290-L294 VanDerWaalsContact CD1-CD1 3.47Å; W290-L294 WeakPolarHBondContact O-CB 3.48Å; W290-L294 PolarHBondContact O-N 2.89Å
291R89.6Confident85.3Confident185 Ų185131.1 Ų131.170%0.69862%0.616SS**Hα-helixtrans-61.2-38174.7-79.5-176.5175.6-156.70.1111.7C287 I288 R295C287-R291 WeakPolarHBondContact O-CB 3.28Å; C287-R291 VanDerWaalsContact O-CG 3.31Å; C287-R291 WeakPolarHBondContact O-CG 3.35Å; C287-R291 PolarHBondContact O-N 2.83Å; I288-R291 PolarHBondContact O-N 2.85Å; R291-R295 WeakPolarHBondContact O-CG 3.36Å; R291-R295 PolarHBondContact O-N 3.14Å
292W88.5Confident84.9Confident163 Ų163130.8 Ų130.862%0.61762%0.617SS**Hα-helixtrans-66.8-43.2177.3-163.180000111.9I288 V289 W290 R295 R296I288-W292 WeakPolarHBondContact O-CB 3.48Å; I288-W292 PolarHBondContact O-N 2.86Å; V289-W292 WeakPolarHBondContact O-CB 3.29Å; V289-W292 PolarHBondContact O-N 3.29Å; W290-W292 VanDerWaalsContact C-N 3.27Å; W290-W292 PolarHBondContact O-N 3.01Å; W292-R295 PolarHBondContact O-N 3.35Å; W292-R296 PolarHBondContact O-N 3.14Å
293L88.2Confident84.4Confident90 Ų90131.2 Ų131.247%0.47162%0.615SS.*Hα-helixtrans-66.3-39.2175.3-71.6172.6000112.9V289 W290 R296 K297V289-L293 HydrophobicContact CG1-CD1 4.1Å; V289-L293 HydrophobicContact CG1-CG 4.45Å; V289-L293 WeakPolarHBondContact O-CG 3.47Å; V289-L293 PolarHBondContact O-N 3.08Å; W290-L293 PolarHBondContact O-N 2.91Å; L293-R296 PolarHBondContact O-N 2.75Å; L293-K297 PolarHBondContact O-N 2.85Å
294L84.3Confident83.9Confident89 Ų89132.5 Ų132.547%0.46662%0.619SS.*Hα-helixtrans-63.5-40.4174.3-81.3177.1000112.2W290 R296 K297 R298W290-L294 VanDerWaalsContact CD1-CD1 3.47Å; W290-L294 WeakPolarHBondContact O-CB 3.48Å; W290-L294 PolarHBondContact O-N 2.89Å; L294-R296 VanDerWaalsContact C-N 3.31Å; L294-K297 PolarHBondContact O-N 3.47Å; L294-R298 PolarHBondContact O-N 3.1Å
295R83.6Confident83.3Confident198 Ų198136.8 Ų136.875%0.74763%0.632SS**Hα-helixtrans-61.3-41.7172.8-79.1-175.8-176.9179.71.2111.2R291 W292 R298 S299R291-R295 WeakPolarHBondContact O-CG 3.36Å; R291-R295 PolarHBondContact O-N 3.14Å; W292-R295 PolarHBondContact O-N 3.35Å; R295-R298 PolarHBondContact O-N 3.05Å; R295-S299 PolarHBondContact O-N 3.03Å
296R81.5Confident82.6Confident154 Ų154139.4 Ų139.458%0.58164%0.64SS**Hα-helixtrans-65.8-40.4179.3-160.9173.9-176.3179.50.5112.8W292 L293 L294 R298 S299 N300W292-R296 PolarHBondContact O-N 3.14Å; L293-R296 PolarHBondContact O-N 2.75Å; L294-R296 VanDerWaalsContact C-N 3.31Å; R296-R298 VanDerWaalsContact C-N 3.33Å; R296-R298 PolarHBondContact O-N 2.87Å; R296-S299 PolarHBondContact O-N 3.23Å; R296-N300 PolarHBondContact O-N 3.43Å
297K78.5Confident82Confident171 Ų171146.1 Ų146.174%0.74366%0.656SS**Hα-helixtrans-64.7-32.9175.4-81.6-170.4177.2-177.60113.4L293 L294 S299 N300L293-K297 PolarHBondContact O-N 2.85Å; L294-K297 PolarHBondContact O-N 3.47Å; K297-S299 VanDerWaalsContact C-N 3.31Å; K297-N300 PolarHBondContact O-N 2.97Å
298R75.2Confident81.2Confident217 Ų217151.6 Ų151.682%0.81967%0.67SS**Hα-helixtrans-71-23175.1-79.9-172.5-179.3-179.20113.8L294 R295 R296L294-R298 PolarHBondContact O-N 3.1Å; R295-R298 PolarHBondContact O-N 3.05Å; R296-R298 VanDerWaalsContact C-N 3.33Å; R296-R298 PolarHBondContact O-N 2.87Å
299S71.8Confident80.3Confident97 Ų97154.2 Ų154.268%0.67868%0.675SS**Hα-helixtrans-84.4-14.8177.6-168.30000113.6R295 R296 K297R295-S299 PolarHBondContact O-N 3.03Å; R296-S299 PolarHBondContact O-N 3.23Å; K297-S299 VanDerWaalsContact C-N 3.31Å
300N64.3Low79.3Confident140 Ų140160.8 Ų160.875%0.74969%0.694SS**THydrogen-bonded Turntrans-101.715-179.1-82.18.2000112.9R296 K297R296-N300 PolarHBondContact O-N 3.43Å; K297-N300 PolarHBondContact O-N 2.97Å
301K54.9Low78.2Confident249 Ų249159.4 Ų159.4100%1.08370%0.696SS**  trans-127.80175.6-153.9-175.3-170-173.40108.6

Retrieved 301 of 301 residues in 359.2 ms (Link to these results)

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