Y1819_STAA8 Loading...

Putative universal stress protein SAOUHSC_01819

AlphaFold DB , UniProt , Accession Q2FXL6, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 166 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
1M68.7Low93.9Very high229 Ų22961.3 Ų61.3100%1.12831%0.308SS*.  0134.40-156.3175.6-72.200106.5
2I83.4Confident93.8Very high153 Ų15360.6 Ų60.679%0.78531%0.306SS*.  trans-64.8135.6176.6-59.7176.6000107.7
3T93.8Very high93.8Very high68 Ų6855.9 Ų55.942%0.41728%0.283SS..  trans-125139.5179.760.10000110.4N31T3-N31 VanDerWaalsContact CA-OD1 3.27Å; T3-N31 WeakPolarHBondContact CA-OD1 3.44Å
4Y98.1Very high93.6Very high51 Ų5152 Ų5220%0.226%0.263CS..  trans-85.7151.6168.4-59.9-65.5000110.4N31 A33 D107 L108 D138Y4-N31 PolarHBondContact N-OD1 3.29Å; Y4-N31 WeakPolarHBondContact O-CB 3.27Å; Y4-A33 WeakPolarHBondContact O-CB 3.22Å; Y4-D107 WeakPolarHBondContact CA-OD2 3.15Å; Y4-D107 HydrophobicContact CD1-CB 4.38Å; Y4-D107 WeakPolarHBondContact CD1-O 3.05Å; Y4-D107 WeakPolarHBondContact CE1-O 3.24Å; Y4-L108 HydrophobicContact CD1-CB 3.66Å; Y4-L108 HydrophobicContact CD2-CB 4.24Å; Y4-L108 HydrophobicContact CD2-CD2 3.73Å; Y4-L108 HydrophobicContact CD2-CG 4.48Å; Y4-L108 HydrophobicContact CE1-CB 3.96Å; Y4-L108 HydrophobicContact CE1-CD1 4.41Å; Y4-L108 HydrophobicContact CE2-CD1 4.37Å; Y4-L108 HydrophobicContact CE2-CD2 3.89Å; Y4-L108 HydrophobicContact CE2-CG 4.49Å; Y4-L108 HydrophobicContact CG-CB 3.81Å; Y4-L108 HydrophobicContact CG-CD2 4.12Å; Y4-D138 HydrophobicContact CE1-CB 3.97Å; Y4-D138 WeakPolarHBondContact CE1-OD2 3.47Å; Y4-D138 PolarHBondContact OH-OD2 2.9Å
5K98.2Very high93.5Very high107 Ų10751.1 Ų51.147%0.46526%0.257SS..SBendtrans-123.3-35.2-177.9-64.2-60.7176.8-166.60112.5K34 D107K5-K34 PolarHBondContact O-N 3.41Å; K5-D107 VanDerWaalsContact N-CG 3.29Å; K5-D107 PolarHBondContact N-OD1 3.26Å; K5-D107 VanDerWaalsContact N-OD1 3.08Å; K5-D107 PolarHBondContact N-OD2 3.1Å
6N98.6Very high93.4Very high47 Ų4751.3 Ų51.325%0.25126%0.257SS..EExtended strand (participates in β ladder)trans-127.793.8-178.1-63.2-44.2000109.2N105 A106 D107 L108N6-N105 WeakPolarHBondContact CB-O 3.38Å; N6-N105 PolarHBondContact ND2-O 2.7Å; N6-A106 CarbonylContact O-C 3.57Å; N6-A106 VanDerWaalsContact O-CA 3.3Å; N6-A106 WeakPolarHBondContact O-CA 3.45Å; N6-D107 PolarHBondContact N-OD1 2.98Å; N6-D107 PolarHBondContact O-N 3.07Å; N6-L108 PolarHBondContact O-N 3.14Å
7I98.8Very high93.5Very high0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-95.6125.4-177.8-58.5163.9000109.1V27 A28 A33 K34 L35 T36 L108 M110I7-V27 HydrophobicContact CD1-CB 4.34Å; I7-V27 HydrophobicContact CD1-CG1 3.74Å; I7-A28 HydrophobicContact CD1-CB 3.99Å; I7-A33 HydrophobicContact CD1-CB 3.66Å; I7-A33 HydrophobicContact CG1-CB 4.14Å; I7-K34 PolarHBondContact N-O 2.9Å; I7-L35 HydrophobicContact CB-CD1 4.11Å; I7-L35 HydrophobicContact CG2-CD1 3.84Å; I7-T36 PolarHBondContact O-N 2.8Å; I7-L108 WeakPolarHBondContact CA-O 3.32Å; I7-L108 HydrophobicContact CG1-CB 4.31Å; I7-L108 HydrophobicContact CG1-CD2 4.28Å; I7-L108 HydrophobicContact CG2-CD2 4.21Å; I7-L108 HydrophobicContact CG2-CG 4.46Å; I7-M110 HydrophobicContact CG2-CG 4.14Å; I7-M110 HydrophobicContact CG2-SD 4.03Å
8L98.9Very high93.6Very high0 Ų045.8 Ų45.80%023%0.23CC..EExtended strand (participates in β ladder)trans-103.3122.6173.2-178.556.3000109.9T36 V38 I96 L100 I104 A106 L108 I109 M110L8-T36 CarbonylContact C-O 3.57Å; L8-T36 WeakPolarHBondContact CA-O 3.49Å; L8-T36 HydrophobicContact CD1-CG2 3.91Å; L8-V38 HydrophobicContact CD1-CB 3.99Å; L8-V38 HydrophobicContact CD1-CG1 3.64Å; L8-V38 HydrophobicContact CG-CG1 4.24Å; L8-I96 HydrophobicContact CD2-CG2 4.05Å; L8-L100 HydrophobicContact CD1-CD2 3.73Å; L8-L100 HydrophobicContact CD1-CG 4.31Å; L8-L100 HydrophobicContact CD2-CB 4.42Å; L8-L100 HydrophobicContact CD2-CD2 4.11Å; L8-L100 HydrophobicContact CD2-CG 4.12Å; L8-I104 HydrophobicContact CB-CD1 4.13Å; L8-I104 HydrophobicContact CD1-CD1 3.98Å; L8-I104 HydrophobicContact CD2-CD1 4.41Å; L8-I104 HydrophobicContact CG-CD1 4.4Å; L8-A106 HydrophobicContact CB-CB 4.17Å; L8-L108 PolarHBondContact N-O 2.95Å; L8-I109 HydrophobicContact CB-CG1 4.36Å; L8-I109 HydrophobicContact CB-CG2 4.44Å; L8-I109 HydrophobicContact CD2-CD1 4.49Å; L8-I109 HydrophobicContact CD2-CG1 4.4Å; L8-I109 HydrophobicContact CD2-CG2 4.43Å; L8-I109 HydrophobicContact CG-CG2 4.41Å; L8-I109 CarbonylContact O-C 3.6Å; L8-I109 WeakPolarHBondContact O-CA 3.41Å; L8-M110 PolarHBondContact O-N 3.48Å
9I98.7Very high93.7Very high0 Ų045.6 Ų45.60%023%0.227CC..EExtended strand (participates in β ladder)trans-114124.2172.817665.5000110.6V11 A20 F21 A24 L35 T36 I37 V38 M110I9-V11 HydrophobicContact CG1-CG1 4.14Å; I9-A20 HydrophobicContact CD1-CB 4.05Å; I9-F21 HydrophobicContact CG1-CB 4.19Å; I9-F21 HydrophobicContact CG2-CD2 4.35Å; I9-A24 HydrophobicContact CB-CB 3.89Å; I9-A24 HydrophobicContact CD1-CB 4.18Å; I9-A24 HydrophobicContact CG1-CB 3.99Å; I9-A24 HydrophobicContact CG2-CB 4.25Å; I9-L35 HydrophobicContact CB-CD1 4.41Å; I9-L35 HydrophobicContact CG2-CD1 3.71Å; I9-L35 HydrophobicContact CG2-CG 4.25Å; I9-T36 PolarHBondContact N-O 3.06Å; I9-I37 HydrophobicContact CG2-CB 4.13Å; I9-I37 HydrophobicContact CG2-CG1 3.79Å; I9-I37 HydrophobicContact CG2-CG2 4.22Å; I9-V38 PolarHBondContact O-N 2.82Å; I9-M110 WeakPolarHBondContact CA-O 3.43Å; I9-M110 HydrophobicContact CB-CB 4.38Å; I9-M110 HydrophobicContact CD1-CB 3.64Å; I9-M110 WeakPolarHBondContact CD1-O 3.38Å
10A98.1Very high93.9Very high13 Ų1343.4 Ų43.411%0.10722%0.215CC..EExtended strand (participates in β ladder)trans-86.4128.7174.400000111.4V38 I96 M110 I131A10-V38 HydrophobicContact CB-CG1 4.19Å; A10-I96 HydrophobicContact CB-CD1 3.77Å; A10-M110 PolarHBondContact N-O 3.09Å; A10-I131 HydrophobicContact CB-CD1 4.47Å
11V97.2Very high94.1Very high6 Ų641.3 Ų41.34%0.03621%0.205CC..  trans-130.5136.7177.7-630000111.5I9 A17 F21 I37 V38 N39 L68 Y71I9-V11 HydrophobicContact CG1-CG1 4.14Å; V11-A17 HydrophobicContact CB-CB 4.41Å; V11-F21 HydrophobicContact CG1-CB 4.07Å; V11-I37 HydrophobicContact CG1-CG2 4.25Å; V11-I37 HydrophobicContact CG2-CG2 3.67Å; V11-V38 WeakPolarHBondContact CG2-O 3.2Å; V11-V38 PolarHBondContact N-O 2.95Å; V11-N39 HydrophobicContact CG2-CB 4.43Å; V11-N39 WeakPolarHBondContact O-CA 3.47Å; V11-N39 PolarHBondContact O-ND2 2.79Å; V11-L68 HydrophobicContact CG2-CD2 4.38Å; V11-Y71 HydrophobicContact CB-CD2 4.26Å; V11-Y71 HydrophobicContact CB-CE2 3.72Å; V11-Y71 HydrophobicContact CG1-CD2 4.29Å; V11-Y71 HydrophobicContact CG1-CE2 3.94Å; V11-Y71 HydrophobicContact CG2-CD2 3.8Å; V11-Y71 HydrophobicContact CG2-CE2 3.68Å
12D93.4Very high95.5Very high53 Ų5332.5 Ų32.528%0.28316%0.163SC..  trans-122.32.8-177.171.5-18.4000113.7S14 A17 G115 L116D12-S14 WeakPolarHBondContact OD1-CB 3.28Å; D12-S14 PolarHBondContact OD1-N 3.25Å; D12-S14 PolarHBondContact OD1-OG 2.94Å; D12-A17 VanDerWaalsContact OD1-CB 3.22Å; D12-A17 WeakPolarHBondContact OD1-CB 3.32Å; D12-G115 WeakPolarHBondContact OD2-CA 3.44Å; D12-L116 WeakPolarHBondContact O-CD1 2.96Å; D12-L116 PolarHBondContact OD2-N 3.41Å; D12-L116 VanDerWaalsContact OD2-N 3.1Å
13G93Very high96.1Very high0 Ų031.7 Ų31.70%015%0.15CC..SBendtrans84.98.5-174.200000114.4A156 R161G13-A156 WeakPolarHBondContact O-CB 3.46Å; G13-R161 WeakPolarHBondContact O-CD 3.39Å
14S92.2Very high96.4Very high1 Ų128.4 Ų28.41%0.00713%0.13CC..  trans-79.7158.2166.266.10000111.8D12 E16 A17 E18D12-S14 WeakPolarHBondContact OD1-CB 3.28Å; D12-S14 PolarHBondContact OD1-N 3.25Å; D12-S14 PolarHBondContact OD1-OG 2.94Å; S14-E16 VanDerWaalsContact C-N 3.27Å; S14-E16 PolarHBondContact O-N 3.39Å; S14-A17 PolarHBondContact O-N 3.4Å; S14-A17 WeakPolarHBondContact OG-CB 3.34Å; S14-A17 PolarHBondContact OG-N 2.79Å; S14-A17 VanDerWaalsContact OG-N 3.1Å; S14-E18 PolarHBondContact O-N 3.11Å; S14-E18 VanDerWaalsContact O-N 3.13Å
15H92.2Very high96.4Very high39 Ų3926.5 Ų26.518%0.18112%0.123CC..Hα-helixtrans-66.4-33.6175.4-68.3176.7000111.6E18 W19 L147 F151 A156 R161H15-E18 PolarHBondContact O-N 3.31Å; H15-W19 WeakPolarHBondContact O-CB 3.29Å; H15-W19 PolarHBondContact O-N 3.18Å; H15-L147 HydrophobicContact CB-CD1 3.4Å; H15-L147 VanDerWaalsContact CB-CD1 3.4Å; H15-F151 HydrophobicContact CB-CE1 4.15Å; H15-A156 PolarHBondContact CD2-O 3.43Å; H15-A156 PolarHBondContact NE2-O 2.78Å; H15-R161 PolarHBondContact CE1-NH2 3.13Å; H15-R161 PolarHBondContact NE2-NH2 3.1Å
16E91.4Very high96.4Very high54 Ų5423.1 Ų23.125%0.25212%0.119SC..Hα-helixtrans-68.3-38.9177.7-64.681-179.600111.7S14 W19 A20S14-E16 VanDerWaalsContact C-N 3.27Å; S14-E16 PolarHBondContact O-N 3.39Å; E16-W19 PolarHBondContact O-N 3.24Å; E16-A20 PolarHBondContact O-N 3Å
17A94.5Very high96.4Very high4 Ų421.1 Ų21.13%0.03311%0.108CC..Hα-helixtrans-63.5-42.917100000112V11 D12 S14 W19 A20 F21V11-A17 HydrophobicContact CB-CB 4.41Å; D12-A17 VanDerWaalsContact OD1-CB 3.22Å; D12-A17 WeakPolarHBondContact OD1-CB 3.32Å; S14-A17 PolarHBondContact O-N 3.4Å; S14-A17 WeakPolarHBondContact OG-CB 3.34Å; S14-A17 PolarHBondContact OG-N 2.79Å; S14-A17 VanDerWaalsContact OG-N 3.1Å; A17-W19 VanDerWaalsContact C-N 3.33Å; A17-W19 PolarHBondContact O-N 3.21Å; A17-A20 PolarHBondContact O-N 3.11Å; A17-F21 WeakPolarHBondContact O-CB 3.14Å; A17-F21 PolarHBondContact O-N 2.88Å
18E96.1Very high96.4Very high0 Ų021.1 Ų21.10%011%0.109CC..Hα-helixtrans-63.5-39.7175.1-179.4156.7175.200112.3S14 H15 A20 F21 N22 Y71 F151 P153 Q154 V155 A156S14-E18 PolarHBondContact O-N 3.11Å; S14-E18 VanDerWaalsContact O-N 3.13Å; H15-E18 PolarHBondContact O-N 3.31Å; E18-A20 VanDerWaalsContact C-N 3.34Å; E18-A20 PolarHBondContact O-N 2.77Å; E18-F21 WeakPolarHBondContact O-CB 3.22Å; E18-F21 PolarHBondContact O-N 3.21Å; E18-N22 PolarHBondContact O-N 3.19Å; E18-N22 PolarHBondContact O-ND2 3.45Å; E18-Y71 HydrophobicContact CB-CE1 4.02Å; E18-Y71 WeakPolarHBondContact CB-OH 3.4Å; E18-Y71 HydrophobicContact CG-CE1 3.77Å; E18-F151 HydrophobicContact CB-CZ 4.16Å; E18-F151 HydrophobicContact CG-CE2 4.47Å; E18-F151 HydrophobicContact CG-CZ 3.93Å; E18-P153 WeakPolarHBondContact OE1-CA 3.44Å; E18-P153 VanDerWaalsContact OE2-CB 3.3Å; E18-P153 WeakPolarHBondContact OE2-CB 3.33Å; E18-Q154 PolarHBondContact OE1-N 3.32Å; E18-V155 PolarHBondContact OE1-N 3.01Å; E18-V155 VanDerWaalsContact OE1-N 3.1Å; E18-V155 PolarHBondContact OE2-N 3.36Å; E18-A156 HydrophobicContact CB-CB 4.42Å; E18-A156 WeakPolarHBondContact OE2-CA 3.25Å; E18-A156 VanDerWaalsContact OE2-CB 3.31Å; E18-A156 WeakPolarHBondContact OE2-CB 3.42Å; E18-A156 PolarHBondContact OE2-N 3.4Å
19W95.4Very high96.3Very high42 Ų4226.5 Ų26.516%0.15913%0.132CC..Hα-helixtrans-61.1-43.9174.3179.1-102.5000112H15 E16 A17 F21 N22 R23 T144 L147 P148 F151H15-W19 WeakPolarHBondContact O-CB 3.29Å; H15-W19 PolarHBondContact O-N 3.18Å; E16-W19 PolarHBondContact O-N 3.24Å; A17-W19 VanDerWaalsContact C-N 3.33Å; A17-W19 PolarHBondContact O-N 3.21Å; W19-F21 VanDerWaalsContact C-N 3.31Å; W19-F21 PolarHBondContact O-N 3.25Å; W19-N22 PolarHBondContact O-N 3.36Å; W19-R23 PolarHBondContact O-N 3.31Å; W19-T144 PolarHBondContact NE1-OG1 3.46Å; W19-L147 HydrophobicContact CB-CD2 3.71Å; W19-L147 HydrophobicContact CD2-CD2 4.4Å; W19-L147 HydrophobicContact CG-CD2 3.99Å; W19-P148 HydrophobicContact CH2-CG 3.42Å; W19-P148 VanDerWaalsContact CH2-CG 3.42Å; W19-P148 HydrophobicContact CZ2-CG 3.75Å; W19-P148 HydrophobicContact CZ3-CG 3.83Å; W19-F151 HydrophobicContact CB-CZ 4.4Å; W19-F151 HydrophobicContact CE3-CB 4.44Å; W19-F151 AromaticContact CE3-CD2 3.55Å; W19-F151 HydrophobicContact CE3-CD2 3.55Å; W19-F151 AromaticContact CE3-CE2 3.92Å; W19-F151 HydrophobicContact CE3-CE2 3.92Å; W19-F151 AromaticContact CE3-CG 3.92Å; W19-F151 HydrophobicContact CE3-CG 3.92Å; W19-F151 HydrophobicContact CZ3-CB 4.37Å; W19-F151 AromaticContact CZ3-CD2 3.88Å; W19-F151 HydrophobicContact CZ3-CD2 3.88Å; W19-F151 HydrophobicContact CZ3-CG 4.27Å
20A96.7Very high96.2Very high0 Ų034.5 Ų34.50%016%0.162CC..Hα-helixtrans-62.1-39.7173.800000112I9 E16 A17 E18 R23 A24 V142I9-A20 HydrophobicContact CD1-CB 4.05Å; E16-A20 PolarHBondContact O-N 3Å; A17-A20 PolarHBondContact O-N 3.11Å; E18-A20 VanDerWaalsContact C-N 3.34Å; E18-A20 PolarHBondContact O-N 2.77Å; A20-R23 WeakPolarHBondContact O-CB 3.49Å; A20-R23 PolarHBondContact O-N 3.38Å; A20-A24 PolarHBondContact O-N 3.22Å; A20-V142 HydrophobicContact CB-CB 3.76Å; A20-V142 HydrophobicContact CB-CG1 4.36Å; A20-V142 HydrophobicContact CB-CG2 3.9Å
21F98.4Very high96.2Very high0 Ų034.7 Ų34.70%016%0.161CC..Hα-helixtrans-59.3-45173.3161.6-92.7000112.4I9 V11 A17 E18 W19 R23 A24 V25 L35 I37 Y71 V74 A75I9-F21 HydrophobicContact CG1-CB 4.19Å; I9-F21 HydrophobicContact CG2-CD2 4.35Å; V11-F21 HydrophobicContact CG1-CB 4.07Å; A17-F21 WeakPolarHBondContact O-CB 3.14Å; A17-F21 PolarHBondContact O-N 2.88Å; E18-F21 WeakPolarHBondContact O-CB 3.22Å; E18-F21 PolarHBondContact O-N 3.21Å; W19-F21 VanDerWaalsContact C-N 3.31Å; W19-F21 PolarHBondContact O-N 3.25Å; F21-R23 PolarHBondContact O-N 3.35Å; F21-A24 CarbonylContact O-C 3.59Å; F21-A24 WeakPolarHBondContact O-CA 3.46Å; F21-A24 WeakPolarHBondContact O-CB 3.43Å; F21-A24 PolarHBondContact O-N 3.1Å; F21-V25 HydrophobicContact CD1-CG2 4.42Å; F21-V25 HydrophobicContact CD2-CG2 4.33Å; F21-V25 HydrophobicContact CE1-CG2 3.85Å; F21-V25 HydrophobicContact CE2-CG2 3.76Å; F21-V25 HydrophobicContact CZ-CG2 3.49Å; F21-V25 VanDerWaalsContact CZ-CG2 3.49Å; F21-V25 WeakPolarHBondContact O-CG2 3.33Å; F21-V25 PolarHBondContact O-N 3.05Å; F21-L35 HydrophobicContact CE2-CD2 4.37Å; F21-I37 HydrophobicContact CD2-CD1 4.41Å; F21-I37 HydrophobicContact CD2-CG1 4.42Å; F21-I37 HydrophobicContact CE2-CD1 3.72Å; F21-I37 HydrophobicContact CE2-CG1 4.17Å; F21-Y71 HydrophobicContact CB-CD1 4.49Å; F21-Y71 HydrophobicContact CB-CE1 4.4Å; F21-Y71 AromaticContact CD1-CD1 3.47Å; F21-Y71 HydrophobicContact CD1-CD1 3.47Å; F21-Y71 VanDerWaalsContact CD1-CD1 3.47Å; F21-Y71 AromaticContact CD1-CE1 3.82Å; F21-Y71 HydrophobicContact CD1-CE1 3.82Å; F21-Y71 HydrophobicContact CD1-CG 4.47Å; F21-Y71 HydrophobicContact CD2-CD1 4.01Å; F21-Y71 HydrophobicContact CD2-CG 4.27Å; F21-Y71 AromaticContact CE1-CD1 3.57Å; F21-Y71 HydrophobicContact CE1-CD1 3.57Å; F21-Y71 HydrophobicContact CE1-CE1 4.3Å; F21-Y71 HydrophobicContact CE1-CG 4.46Å; F21-Y71 HydrophobicContact CE2-CD1 4.09Å; F21-Y71 HydrophobicContact CE2-CG 4.25Å; F21-Y71 AromaticContact CG-CD1 3.7Å; F21-Y71 HydrophobicContact CG-CD1 3.7Å; F21-Y71 HydrophobicContact CG-CE1 4.05Å; F21-Y71 HydrophobicContact CG-CG 4.38Å; F21-Y71 AromaticContact CZ-CD1 3.88Å; F21-Y71 HydrophobicContact CZ-CD1 3.88Å; F21-Y71 HydrophobicContact CZ-CG 4.34Å; F21-Y71 WeakPolarHBondContact CZ-O 3.41Å; F21-V74 HydrophobicContact CE1-CB 4.14Å; F21-V74 HydrophobicContact CE1-CG1 3.79Å; F21-V74 HydrophobicContact CZ-CB 4.24Å; F21-V74 HydrophobicContact CZ-CG1 4.21Å; F21-A75 HydrophobicContact CE2-CB 4.1Å; F21-A75 HydrophobicContact CZ-CB 3.9Å
22N97.6Very high96.2Very high45 Ų4539.2 Ų39.224%0.24119%0.185CC..Hα-helixtrans-59.7-36.1176.8-70.6-30.3000112.1E18 W19 G26 F151E18-N22 PolarHBondContact O-N 3.19Å; E18-N22 PolarHBondContact O-ND2 3.45Å; W19-N22 PolarHBondContact O-N 3.36Å; N22-G26 PolarHBondContact O-N 2.88Å; N22-F151 WeakPolarHBondContact ND2-CE2 3.2Å
23R97.6Very high96.4Very high135 Ų13537 Ų3751%0.50917%0.174SC..Hα-helixtrans-67.2-43.3171.5-60.4-59.9-179.7167.9-3.2111.3W19 A20 F21 V25 G26 V27 M110 V142W19-R23 PolarHBondContact O-N 3.31Å; A20-R23 WeakPolarHBondContact O-CB 3.49Å; A20-R23 PolarHBondContact O-N 3.38Å; F21-R23 PolarHBondContact O-N 3.35Å; R23-V25 VanDerWaalsContact C-N 3.31Å; R23-V25 PolarHBondContact O-N 2.96Å; R23-G26 PolarHBondContact O-N 3.32Å; R23-G26 VanDerWaalsContact O-N 3.11Å; R23-V27 VanDerWaalsContact O-CG2 3.24Å; R23-V27 WeakPolarHBondContact O-CG2 3.33Å; R23-V27 PolarHBondContact O-N 2.65Å; R23-M110 HydrophobicContact CB-CE 4.11Å; R23-V142 HydrophobicContact CB-CG2 4.17Å; R23-V142 HydrophobicContact CG-CG1 3.91Å; R23-V142 HydrophobicContact CG-CG2 4.42Å
24A98.6Very high96.7Very high0 Ų039.5 Ų39.50%019%0.185CC..Hα-helixtrans-59.9-38.6177.400000112.7I9 A20 F21 G26 V27 A28 L35 M110I9-A24 HydrophobicContact CB-CB 3.89Å; I9-A24 HydrophobicContact CD1-CB 4.18Å; I9-A24 HydrophobicContact CG1-CB 3.99Å; I9-A24 HydrophobicContact CG2-CB 4.25Å; A20-A24 PolarHBondContact O-N 3.22Å; F21-A24 CarbonylContact O-C 3.59Å; F21-A24 WeakPolarHBondContact O-CA 3.46Å; F21-A24 WeakPolarHBondContact O-CB 3.43Å; F21-A24 PolarHBondContact O-N 3.1Å; A24-G26 PolarHBondContact O-N 2.79Å; A24-V27 CarbonylContact O-C 3.56Å; A24-V27 PolarHBondContact O-N 2.86Å; A24-A28 WeakPolarHBondContact O-CB 3.4Å; A24-A28 PolarHBondContact O-N 3.08Å; A24-L35 HydrophobicContact CB-CD1 4.03Å; A24-M110 VanDerWaalsContact CA-SD 3.57Å; A24-M110 HydrophobicContact CB-CB 4.47Å; A24-M110 HydrophobicContact CB-CE 3.86Å; A24-M110 HydrophobicContact CB-SD 3.62Å
25V98.7Very high97Very high11 Ų1139.5 Ų39.57%0.06719%0.185CC..Hα-helixtrans-57.5-47.9172173.50000110.8F21 R23 V27 A28 K29 L35 A75 A78 V80F21-V25 HydrophobicContact CD1-CG2 4.42Å; F21-V25 HydrophobicContact CD2-CG2 4.33Å; F21-V25 HydrophobicContact CE1-CG2 3.85Å; F21-V25 HydrophobicContact CE2-CG2 3.76Å; F21-V25 HydrophobicContact CZ-CG2 3.49Å; F21-V25 VanDerWaalsContact CZ-CG2 3.49Å; F21-V25 WeakPolarHBondContact O-CG2 3.33Å; F21-V25 PolarHBondContact O-N 3.05Å; R23-V25 VanDerWaalsContact C-N 3.31Å; R23-V25 PolarHBondContact O-N 2.96Å; V25-V27 VanDerWaalsContact C-N 3.33Å; V25-V27 PolarHBondContact O-N 2.71Å; V25-A28 PolarHBondContact O-N 3.16Å; V25-K29 HydrophobicContact CG1-CD 4.24Å; V25-K29 WeakPolarHBondContact O-CG 3.35Å; V25-K29 PolarHBondContact O-N 3.28Å; V25-L35 HydrophobicContact CG2-CD2 4.15Å; V25-A75 HydrophobicContact CG2-CB 3.95Å; V25-A78 HydrophobicContact CG1-CB 3.63Å; V25-V80 HydrophobicContact CG1-CG2 3.87Å
26G98.1Very high97.3Very high36 Ų3637.7 Ų37.737%0.37118%0.176SC..Hα-helixtrans-61.7-39175.800000113.3N22 R23 A24 R30N22-G26 PolarHBondContact O-N 2.88Å; R23-G26 PolarHBondContact O-N 3.32Å; R23-G26 VanDerWaalsContact O-N 3.11Å; A24-G26 PolarHBondContact O-N 2.79Å; G26-R30 WeakPolarHBondContact O-CG 3.4Å; G26-R30 PolarHBondContact O-N 3.24Å; G26-R30 VanDerWaalsContact O-N 3.13Å
27V98.3Very high97.7Very high4 Ų435.1 Ų35.12%0.02416%0.164CC..Hα-helixtrans-67.8-39.9176.4-178.90000111.5I7 R23 A24 V25 R30 N31 L108 M110I7-V27 HydrophobicContact CD1-CB 4.34Å; I7-V27 HydrophobicContact CD1-CG1 3.74Å; R23-V27 VanDerWaalsContact O-CG2 3.24Å; R23-V27 WeakPolarHBondContact O-CG2 3.33Å; R23-V27 PolarHBondContact O-N 2.65Å; A24-V27 CarbonylContact O-C 3.56Å; A24-V27 PolarHBondContact O-N 2.86Å; V25-V27 VanDerWaalsContact C-N 3.33Å; V25-V27 PolarHBondContact O-N 2.71Å; V27-R30 VanDerWaalsContact O-CG 3.28Å; V27-R30 WeakPolarHBondContact O-CG 3.35Å; V27-N31 WeakPolarHBondContact O-CB 3.48Å; V27-N31 PolarHBondContact O-N 3.33Å; V27-N31 PolarHBondContact O-ND2 3.27Å; V27-L108 HydrophobicContact CG1-CD2 3.79Å; V27-M110 HydrophobicContact CB-SD 4.07Å; V27-M110 HydrophobicContact CG1-SD 4.31Å; V27-M110 HydrophobicContact CG2-CE 4.01Å; V27-M110 HydrophobicContact CG2-SD 3.87Å
28A98.6Very high97.9Very high1 Ų135 Ų351%0.00816%0.163CC..Hα-helixtrans-65.7-47.3177.500000111.2I7 A24 V25 R30 N31 D32 A33 L35 V80I7-A28 HydrophobicContact CD1-CB 3.99Å; A24-A28 WeakPolarHBondContact O-CB 3.4Å; A24-A28 PolarHBondContact O-N 3.08Å; V25-A28 PolarHBondContact O-N 3.16Å; A28-R30 PolarHBondContact O-N 3.06Å; A28-N31 PolarHBondContact O-N 2.89Å; A28-D32 PolarHBondContact O-N 3.47Å; A28-A33 PolarHBondContact O-N 3.48Å; A28-L35 HydrophobicContact CB-CB 3.99Å; A28-L35 HydrophobicContact CB-CD1 4.43Å; A28-L35 HydrophobicContact CB-CD2 4.42Å; A28-V80 HydrophobicContact CB-CG1 4.02Å; A28-V80 HydrophobicContact CB-CG2 4.11Å
29K97.7Very high98Very high112 Ų11235.4 Ų35.449%0.48717%0.165SC..Hα-helixtrans-58.6-48.3178.4-72.3179.2661750112.9V25 N31 D32 A78 V80V25-K29 HydrophobicContact CG1-CD 4.24Å; V25-K29 WeakPolarHBondContact O-CG 3.35Å; V25-K29 PolarHBondContact O-N 3.28Å; K29-N31 PolarHBondContact O-N 3.48Å; K29-D32 PolarHBondContact O-N 3.39Å; K29-A78 VanDerWaalsContact CD-O 3.29Å; K29-A78 WeakPolarHBondContact CD-O 3.46Å; K29-A78 WeakPolarHBondContact CE-O 3.4Å; K29-A78 PolarHBondContact NZ-O 2.9Å; K29-V80 HydrophobicContact CD-CG2 4.49Å; K29-V80 HydrophobicContact CG-CG2 3.79Å
30R97.1Very high98Very high169 Ų16934.5 Ų34.564%0.63817%0.165SC*.Hα-helixtrans-65.6-21.4-17874.7-176.2-175.3-150.65.2113.2G26 V27 A28G26-R30 WeakPolarHBondContact O-CG 3.4Å; G26-R30 PolarHBondContact O-N 3.24Å; G26-R30 VanDerWaalsContact O-N 3.13Å; V27-R30 VanDerWaalsContact O-CG 3.28Å; V27-R30 WeakPolarHBondContact O-CG 3.35Å; A28-R30 PolarHBondContact O-N 3.06Å
31N97.6Very high97.8Very high16 Ų1635 Ų359%0.08617%0.167CC..Hα-helixtrans-102.9-6.5-178-76.3-78.9000113.8T3 Y4 V27 A28 K29 A33T3-N31 VanDerWaalsContact CA-OD1 3.27Å; T3-N31 WeakPolarHBondContact CA-OD1 3.44Å; Y4-N31 PolarHBondContact N-OD1 3.29Å; Y4-N31 WeakPolarHBondContact O-CB 3.27Å; V27-N31 WeakPolarHBondContact O-CB 3.48Å; V27-N31 PolarHBondContact O-N 3.33Å; V27-N31 PolarHBondContact O-ND2 3.27Å; A28-N31 PolarHBondContact O-N 2.89Å; K29-N31 PolarHBondContact O-N 3.48Å; N31-A33 HydrophobicContact CB-CB 3.86Å; N31-A33 PolarHBondContact O-N 2.96Å
32D97.2Very high97.3Very high101 Ų10136.8 Ų36.854%0.5418%0.177SC..THydrogen-bonded Turntrans48.245.8-165.7-15835.5000111.2A28 K29 K81A28-D32 PolarHBondContact O-N 3.47Å; K29-D32 PolarHBondContact O-N 3.39Å; D32-K81 VanDerWaalsContact CG-NZ 3.32Å; D32-K81 WeakPolarHBondContact OD1-CD 3.43Å; D32-K81 WeakPolarHBondContact OD1-CE 3.47Å; D32-K81 IonicContact OD1-NZ 3.23Å; D32-K81 PolarHBondContact OD1-NZ 3.07Å; D32-K81 IonicContact OD2-NZ 2.8Å; D32-K81 PolarHBondContact OD2-NZ 3.27Å; D32-K81 VanDerWaalsContact OD2-NZ 3.11Å
33A98.3Very high96.3Very high6 Ų637 Ų375%0.0518%0.182CC..  trans-100154.9-172.900000111.7Y4 I7 A28 N31Y4-A33 WeakPolarHBondContact O-CB 3.22Å; I7-A33 HydrophobicContact CD1-CB 3.66Å; I7-A33 HydrophobicContact CG1-CB 4.14Å; A28-A33 PolarHBondContact O-N 3.48Å; N31-A33 HydrophobicContact CB-CB 3.86Å; N31-A33 PolarHBondContact O-N 2.96Å
34K98.7Very high94.9Very high54 Ų5436.6 Ų36.624%0.23518%0.18CC..EExtended strand (participates in β ladder)trans-70.2133.3166.4179.1173.6-175.7177.60109.7K5 I7 D82 E84K5-K34 PolarHBondContact O-N 3.41Å; I7-K34 PolarHBondContact N-O 2.9Å; K34-D82 WeakPolarHBondContact CA-O 3.37Å; K34-D82 HydrophobicContact CB-CB 4.25Å; K34-D82 WeakPolarHBondContact CD-OD2 3.33Å; K34-D82 HydrophobicContact CG-CB 4.26Å; K34-E84 WeakPolarHBondContact CE-OE2 2.99Å; K34-E84 IonicContact NZ-OE2 3.04Å; K34-E84 PolarHBondContact NZ-OE2 2.8Å
35L98.9Very high93.1Very high0 Ų040.4 Ų40.40%020%0.204CC..EExtended strand (participates in β ladder)trans-110.2111.8175.2-176.364.2000109.9I7 I9 F21 A24 V25 A28 I37 A75 V80 D82 V83 E84I7-L35 HydrophobicContact CB-CD1 4.11Å; I7-L35 HydrophobicContact CG2-CD1 3.84Å; I9-L35 HydrophobicContact CB-CD1 4.41Å; I9-L35 HydrophobicContact CG2-CD1 3.71Å; I9-L35 HydrophobicContact CG2-CG 4.25Å; F21-L35 HydrophobicContact CE2-CD2 4.37Å; A24-L35 HydrophobicContact CB-CD1 4.03Å; V25-L35 HydrophobicContact CG2-CD2 4.15Å; A28-L35 HydrophobicContact CB-CB 3.99Å; A28-L35 HydrophobicContact CB-CD1 4.43Å; A28-L35 HydrophobicContact CB-CD2 4.42Å; L35-I37 HydrophobicContact CD2-CG1 4.37Å; L35-I37 HydrophobicContact CG-CG1 4.18Å; L35-A75 HydrophobicContact CD2-CB 4.14Å; L35-V80 HydrophobicContact CB-CG1 4.02Å; L35-D82 PolarHBondContact N-O 2.94Å; L35-V83 WeakPolarHBondContact O-CA 3.3Å; L35-E84 PolarHBondContact O-N 3.19Å
36T98.9Very high91.1Very high1 Ų142.1 Ų42.11%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-98.4121.2171.3-59.30000109.4I7 L8 I9 E84 R86 I104I7-T36 PolarHBondContact O-N 2.8Å; L8-T36 CarbonylContact C-O 3.57Å; L8-T36 WeakPolarHBondContact CA-O 3.49Å; L8-T36 HydrophobicContact CD1-CG2 3.91Å; I9-T36 PolarHBondContact N-O 3.06Å; T36-E84 CarbonylContact C-O 3.59Å; T36-E84 WeakPolarHBondContact CA-O 3.31Å; T36-E84 HydrophobicContact CG2-CB 4.47Å; T36-R86 HydrophobicContact CG2-CB 4.49Å; T36-R86 HydrophobicContact CG2-CG 3.68Å; T36-I104 HydrophobicContact CG2-CD1 3.89Å
37I98.8Very high89Confident0 Ų044.6 Ų44.60%022%0.221CC..EExtended strand (participates in β ladder)trans-103.1119.8-179.5-52.1159.1000107.8I9 V11 F21 L35 L68 Y71 V83 E84 T85 R86I9-I37 HydrophobicContact CG2-CB 4.13Å; I9-I37 HydrophobicContact CG2-CG1 3.79Å; I9-I37 HydrophobicContact CG2-CG2 4.22Å; V11-I37 HydrophobicContact CG1-CG2 4.25Å; V11-I37 HydrophobicContact CG2-CG2 3.67Å; F21-I37 HydrophobicContact CD2-CD1 4.41Å; F21-I37 HydrophobicContact CD2-CG1 4.42Å; F21-I37 HydrophobicContact CE2-CD1 3.72Å; F21-I37 HydrophobicContact CE2-CG1 4.17Å; L35-I37 HydrophobicContact CD2-CG1 4.37Å; L35-I37 HydrophobicContact CG-CG1 4.18Å; I37-L68 HydrophobicContact CB-CD2 4.36Å; I37-L68 HydrophobicContact CG2-CD2 3.87Å; I37-L68 WeakPolarHBondContact O-CD2 3.47Å; I37-Y71 HydrophobicContact CG2-CD2 4.33Å; I37-V83 HydrophobicContact CD1-CG1 3.62Å; I37-V83 HydrophobicContact CG1-CG1 4.45Å; I37-E84 PolarHBondContact N-O 3.1Å; I37-T85 HydrophobicContact CB-CG2 4.42Å; I37-T85 HydrophobicContact CD1-CG2 4.44Å; I37-T85 CarbonylContact O-C 3.57Å; I37-T85 WeakPolarHBondContact O-CA 3.47Å; I37-R86 PolarHBondContact O-N 3.02Å
38V98.7Very high87Confident1 Ų148.3 Ų48.31%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-114.9131.7-178.465.60000112L8 I9 A10 V11 V40 R86 E88 I96 L100L8-V38 HydrophobicContact CD1-CB 3.99Å; L8-V38 HydrophobicContact CD1-CG1 3.64Å; L8-V38 HydrophobicContact CG-CG1 4.24Å; I9-V38 PolarHBondContact O-N 2.82Å; A10-V38 HydrophobicContact CB-CG1 4.19Å; V11-V38 WeakPolarHBondContact CG2-O 3.2Å; V11-V38 PolarHBondContact N-O 2.95Å; V38-V40 HydrophobicContact CG2-CG2 3.84Å; V38-R86 VanDerWaalsContact CA-O 3.3Å; V38-R86 WeakPolarHBondContact CA-O 3.44Å; V38-R86 HydrophobicContact CB-CB 4.35Å; V38-R86 HydrophobicContact CG2-CB 4.17Å; V38-R86 WeakPolarHBondContact CG2-O 3.43Å; V38-E88 HydrophobicContact CG2-CG 4.38Å; V38-I96 HydrophobicContact CG1-CG1 4.21Å; V38-L100 HydrophobicContact CB-CD2 3.65Å; V38-L100 HydrophobicContact CG1-CD2 4.05Å; V38-L100 HydrophobicContact CG2-CD2 3.47Å; V38-L100 VanDerWaalsContact CG2-CD2 3.47Å
39N97.8Very high84.9Confident9 Ų955.5 Ų55.55%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-112.5137.8160.3-176.8-88.5000108.6V11 A64 L68 R86 L87 E88V11-N39 HydrophobicContact CG2-CB 4.43Å; V11-N39 WeakPolarHBondContact O-CA 3.47Å; V11-N39 PolarHBondContact O-ND2 2.79Å; N39-A64 HydrophobicContact CB-CB 4.43Å; N39-A64 VanDerWaalsContact OD1-CB 3.26Å; N39-A64 WeakPolarHBondContact OD1-CB 3.39Å; N39-L68 HydrophobicContact CB-CD1 4.21Å; N39-L68 HydrophobicContact CB-CD2 4.09Å; N39-L68 HydrophobicContact CB-CG 4.13Å; N39-R86 PolarHBondContact N-O 2.92Å; N39-L87 HydrophobicContact CB-CD1 4.35Å; N39-E88 PolarHBondContact O-N 2.83Å
40V96.1Very high82.7Confident23 Ų2358.6 Ų58.614%0.13929%0.292CS..EExtended strand (participates in β ladder)trans-122118.9178.3-171.80000109.1V38 E88 G90 P92 I95 I96V38-V40 HydrophobicContact CG2-CG2 3.84Å; V40-E88 CarbonylContact C-O 3.6Å; V40-E88 WeakPolarHBondContact CA-O 3.38Å; V40-E88 HydrophobicContact CG1-CB 4.25Å; V40-E88 HydrophobicContact CG2-CB 4.19Å; V40-G90 VanDerWaalsContact CG1-O 3.28Å; V40-G90 WeakPolarHBondContact CG1-O 3.4Å; V40-P92 HydrophobicContact CB-CB 4.04Å; V40-P92 HydrophobicContact CG1-CB 4.2Å; V40-P92 HydrophobicContact CG2-CB 4.37Å; V40-I95 HydrophobicContact CG1-CB 4.42Å; V40-I95 HydrophobicContact CG1-CD1 3.68Å; V40-I95 HydrophobicContact CG1-CG2 4.49Å; V40-I95 HydrophobicContact CG2-CG2 4.11Å; V40-I96 HydrophobicContact CG2-CD1 4.08Å; V40-I96 HydrophobicContact CG2-CG1 3.88Å
41I92.2Very high80.5Confident10 Ų1057 Ų575%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-83.3114173.1-66.5174.1000108S43 Y46 K61 A64 L87 E88 F89 G90I41-S43 PolarHBondContact O-N 3.37Å; I41-Y46 HydrophobicContact CG2-CE2 3.62Å; I41-K61 HydrophobicContact CD1-CB 4.36Å; I41-A64 HydrophobicContact CD1-CB 3.99Å; I41-A64 HydrophobicContact CG1-CB 4.29Å; I41-L87 HydrophobicContact CD1-CD1 3.85Å; I41-L87 HydrophobicContact CD1-CD2 4.42Å; I41-L87 HydrophobicContact CG1-CD1 4Å; I41-E88 PolarHBondContact N-O 2.88Å; I41-F89 HydrophobicContact CB-CD1 3.92Å; I41-F89 HydrophobicContact CB-CE1 4.12Å; I41-F89 HydrophobicContact CD1-CD1 4.39Å; I41-F89 HydrophobicContact CD1-CE1 3.72Å; I41-F89 HydrophobicContact CD1-CZ 4.19Å; I41-F89 HydrophobicContact CG1-CE1 4.48Å; I41-F89 HydrophobicContact CG2-CD1 4.05Å; I41-F89 HydrophobicContact CG2-CE1 4.23Å; I41-F89 WeakPolarHBondContact O-CA 3.31Å; I41-G90 PolarHBondContact O-N 2.83Å
42D87.7Confident78.5Confident38 Ų3865.2 Ų65.220%0.20333%0.331CS..  trans-74.889-177.8-163.5-16.2000112.1R44 T45 Y46 G90D42-R44 PolarHBondContact O-N 3.29Å; D42-R44 WeakPolarHBondContact OD1-CB 3.32Å; D42-R44 IonicContact OD1-CZ 3.32Å; D42-R44 PolarHBondContact OD1-N 2.86Å; D42-R44 IonicContact OD1-NE 3.59Å; D42-R44 PolarHBondContact OD1-NE 2.97Å; D42-R44 IonicContact OD1-NH2 3.36Å; D42-R44 PolarHBondContact OD1-NH2 3.27Å; D42-R44 IonicContact OD2-CZ 2.63Å; D42-R44 IonicContact OD2-NE 3.87Å; D42-R44 IonicContact OD2-NH2 2.64Å; D42-R44 PolarHBondContact OD2-NH2 3.4Å; D42-T45 WeakPolarHBondContact O-CB 3.37Å; D42-T45 PolarHBondContact O-N 3.4Å; D42-T45 PolarHBondContact O-OG1 3.48Å; D42-T45 VanDerWaalsContact O-OG1 3.04Å; D42-Y46 WeakPolarHBondContact O-CE2 3.36Å; D42-G90 WeakPolarHBondContact CA-O 3.3Å
43S77Confident76.8Confident50 Ų5063.7 Ų63.735%0.3532%0.323SS..G310 helixtrans-65.8-16-176.362.50000115.1I41 T45 Y46 S47 G90I41-S43 PolarHBondContact O-N 3.37Å; S43-T45 PolarHBondContact O-N 2.98Å; S43-Y46 PolarHBondContact O-N 2.85Å; S43-Y46 VanDerWaalsContact O-N 3.1Å; S43-S47 PolarHBondContact O-N 2.73Å; S43-G90 WeakPolarHBondContact OG-CA 3.43Å; S43-G90 PolarHBondContact OG-N 2.63Å
44R68.5Low75.3Confident126 Ų12667.2 Ų67.248%0.47535%0.353SS..G310 helixtrans-69-25.3177.1-59.6171.8-63.1168.14.6112.1D42 Y46 S47 S91D42-R44 PolarHBondContact O-N 3.29Å; D42-R44 WeakPolarHBondContact OD1-CB 3.32Å; D42-R44 IonicContact OD1-CZ 3.32Å; D42-R44 PolarHBondContact OD1-N 2.86Å; D42-R44 IonicContact OD1-NE 3.59Å; D42-R44 PolarHBondContact OD1-NE 2.97Å; D42-R44 IonicContact OD1-NH2 3.36Å; D42-R44 PolarHBondContact OD1-NH2 3.27Å; D42-R44 IonicContact OD2-CZ 2.63Å; D42-R44 IonicContact OD2-NE 3.87Å; D42-R44 IonicContact OD2-NH2 2.64Å; D42-R44 PolarHBondContact OD2-NH2 3.4Å; R44-Y46 PolarHBondContact O-N 3.1Å; R44-S47 PolarHBondContact O-OG 2.69Å; R44-S47 VanDerWaalsContact O-OG 3.08Å; R44-S91 VanDerWaalsContact CZ-OG 3.27Å; R44-S91 PolarHBondContact NH1-OG 2.92Å; R44-S91 PolarHBondContact NH2-OG 2.93Å
45T61.1Low73.9Confident81 Ų8171.7 Ų71.750%0.49737%0.374SS..G310 helixtrans-69.5-22.1175.4-34.60000111.1D42 S43D42-T45 WeakPolarHBondContact O-CB 3.37Å; D42-T45 PolarHBondContact O-N 3.4Å; D42-T45 PolarHBondContact O-OG1 3.48Å; D42-T45 VanDerWaalsContact O-OG1 3.04Å; S43-T45 PolarHBondContact O-N 2.98Å
46Y56.3Low72.6Confident46 Ų4676.6 Ų76.618%0.1840%0.396CS..THydrogen-bonded Turntrans-97.6-26.1-175.6-51-49.3000113.5I41 D42 S43 R44 S48 Y49 F56I41-Y46 HydrophobicContact CG2-CE2 3.62Å; D42-Y46 WeakPolarHBondContact O-CE2 3.36Å; S43-Y46 PolarHBondContact O-N 2.85Å; S43-Y46 VanDerWaalsContact O-N 3.1Å; R44-Y46 PolarHBondContact O-N 3.1Å; Y46-S48 PolarHBondContact O-N 2.71Å; Y46-Y49 PolarHBondContact O-N 2.9Å; Y46-F56 AromaticContact CD1-CD1 3.79Å; Y46-F56 HydrophobicContact CD1-CD1 3.79Å; Y46-F56 AromaticContact CD1-CE1 3.92Å; Y46-F56 HydrophobicContact CD1-CE1 3.92Å; Y46-F56 AromaticContact CE1-CD1 3.37Å; Y46-F56 HydrophobicContact CE1-CD1 3.37Å; Y46-F56 AromaticContact CE1-CE1 3.04Å; Y46-F56 HydrophobicContact CE1-CE1 3.04Å; Y46-F56 HydrophobicContact CE1-CZ 4.02Å; Y46-F56 AromaticContact CZ-CD1 3.93Å; Y46-F56 AromaticContact CZ-CE1 3.49Å; Y46-F56 VanDerWaalsContact CZ-CE1 3.49Å; Y46-F56 WeakPolarHBondContact OH-CE1 3.4Å
47S53.7Low71.5Confident89 Ų8978.6 Ų78.662%0.62241%0.408SS*.THydrogen-bonded Turntrans-59.9-16.8179.654.40000114.6S43 R44S43-S47 PolarHBondContact O-N 2.73Å; R44-S47 PolarHBondContact O-OG 2.69Å; R44-S47 VanDerWaalsContact O-OG 3.08Å
48S56.4Low70.9Confident82 Ų8283.7 Ų83.757%0.57343%0.432SS*.THydrogen-bonded Turntrans-84.5-5.6174.153.40000114.4Y46Y46-S48 PolarHBondContact O-N 2.71Å
49Y54Low70.4Confident152 Ų15287.3 Ų87.360%0.59645%0.447SS*.  trans-128.960.7-173.6-61.9-79.6000111.5Y46 V51 Y52Y46-Y49 PolarHBondContact O-N 2.9Å; Y49-V51 PolarHBondContact O-N 3.13Å; Y49-Y52 PolarHBondContact O-N 3.41Å
50E52.7Low69.9Low177 Ų17787.8 Ų87.883%0.82745%0.451SS*.THydrogen-bonded Turntrans-53.1-7.9-176-67.2-177.1139.300116.2
51V50.8Low69.8Low135 Ų13591 Ų9182%0.81846%0.463SS*.THydrogen-bonded Turntrans-113.6-15.9-172.6-173.60000114.1Y49Y49-V51 PolarHBondContact O-N 3.13Å
52Y54Low69.9Low189 Ų18994 Ų9474%0.74148%0.477SS*.SBendtrans-100.97.2176.7-85.5-83.9000113.8Y49 F56Y49-Y52 PolarHBondContact O-N 3.41Å; Y52-F56 WeakPolarHBondContact O-CB 3.33Å; Y52-F56 PolarHBondContact O-N 2.65Å
53D61.4Low70.2Confident68 Ų6893.6 Ų93.636%0.36447%0.474SS..Hα-helixtrans-74.8-38.5-149.6-154.322.6000114.7T57D53-T57 WeakPolarHBondContact O-CB 3.3Å; D53-T57 PolarHBondContact O-N 2.68Å; D53-T57 PolarHBondContact O-OG1 2.88Å; D53-T57 PolarHBondContact OD1-OG1 2.97Å
54A66.8Low71.1Confident81 Ų8191.2 Ų91.267%0.66946%0.457SS*.Hα-helixtrans-69.9-52.4-17400000112.7E58A54-E58 WeakPolarHBondContact O-CB 3.19Å; A54-E58 PolarHBondContact O-N 3.43Å
55Q69.8Low72.5Confident148 Ų14888.8 Ų88.869%0.69245%0.451SS*.Hα-helixtrans-67.5-38.1-178.7-75.5-170.5-31.400112.1E58 K59Q55-E58 PolarHBondContact O-N 3.45Å; Q55-K59 WeakPolarHBondContact O-CG 3.43Å; Q55-K59 PolarHBondContact O-N 3.05Å
56F71.1Confident74.2Confident103 Ų10388.5 Ų88.545%0.45244%0.444SS..Hα-helixtrans-69.1-44.8179.1-168.3-79.8000111.7Y46 Y52 E58 K59 S60Y46-F56 AromaticContact CD1-CD1 3.79Å; Y46-F56 HydrophobicContact CD1-CD1 3.79Å; Y46-F56 AromaticContact CD1-CE1 3.92Å; Y46-F56 HydrophobicContact CD1-CE1 3.92Å; Y46-F56 AromaticContact CE1-CD1 3.37Å; Y46-F56 HydrophobicContact CE1-CD1 3.37Å; Y46-F56 AromaticContact CE1-CE1 3.04Å; Y46-F56 HydrophobicContact CE1-CE1 3.04Å; Y46-F56 HydrophobicContact CE1-CZ 4.02Å; Y46-F56 AromaticContact CZ-CD1 3.93Å; Y46-F56 AromaticContact CZ-CE1 3.49Å; Y46-F56 VanDerWaalsContact CZ-CE1 3.49Å; Y46-F56 WeakPolarHBondContact OH-CE1 3.4Å; Y52-F56 WeakPolarHBondContact O-CB 3.33Å; Y52-F56 PolarHBondContact O-N 2.65Å; F56-E58 VanDerWaalsContact C-N 3.26Å; F56-E58 PolarHBondContact O-N 2.74Å; F56-K59 PolarHBondContact O-N 2.87Å; F56-S60 VanDerWaalsContact CE1-OG 3.24Å; F56-S60 WeakPolarHBondContact CE1-OG 3.3Å; F56-S60 WeakPolarHBondContact O-CB 3.36Å; F56-S60 PolarHBondContact O-N 3.49Å; F56-S60 PolarHBondContact O-OG 3.47Å
57T77.3Confident76.2Confident42 Ų4286.3 Ų86.326%0.25844%0.435SS..Hα-helixtrans-61.6-39.2174.7-63.40000110.7D53 S60 K61D53-T57 WeakPolarHBondContact O-CB 3.3Å; D53-T57 PolarHBondContact O-N 2.68Å; D53-T57 PolarHBondContact O-OG1 2.88Å; D53-T57 PolarHBondContact OD1-OG1 2.97Å; T57-S60 PolarHBondContact O-N 2.87Å; T57-K61 VanDerWaalsContact O-CB 3.25Å; T57-K61 WeakPolarHBondContact O-CB 3.43Å; T57-K61 PolarHBondContact O-N 2.58Å
58E85.2Confident78.3Confident107 Ų10782.3 Ų82.350%0.541%0.407SS..Hα-helixtrans-64.5-47.5176.1-168.1-177176.600111.9A54 Q55 F56 S60 K61 H62A54-E58 WeakPolarHBondContact O-CB 3.19Å; A54-E58 PolarHBondContact O-N 3.43Å; Q55-E58 PolarHBondContact O-N 3.45Å; F56-E58 VanDerWaalsContact C-N 3.26Å; F56-E58 PolarHBondContact O-N 2.74Å; E58-S60 VanDerWaalsContact C-N 3.35Å; E58-S60 PolarHBondContact O-N 2.81Å; E58-K61 PolarHBondContact O-N 3.1Å; E58-H62 WeakPolarHBondContact CG-NE2 3.49Å; E58-H62 PolarHBondContact O-CD2 2.97Å; E58-H62 PolarHBondContact O-N 3.41Å; E58-H62 IonicContact OE1-CD2 3.59Å; E58-H62 IonicContact OE1-NE2 3.61Å; E58-H62 PolarHBondContact OE1-NE2 3.28Å; E58-H62 VanDerWaalsContact OE1-NE2 3.11Å
59K88Confident80.3Confident78 Ų7883.2 Ų83.234%0.33941%0.406SS..Hα-helixtrans-58.1-45.7174.4-76.4-174.8-177.9-172.90112.1Q55 F56 K61 H62 F63 Y164 N166Q55-K59 WeakPolarHBondContact O-CG 3.43Å; Q55-K59 PolarHBondContact O-N 3.05Å; F56-K59 PolarHBondContact O-N 2.87Å; K59-K61 VanDerWaalsContact C-N 3.31Å; K59-K61 PolarHBondContact O-N 3.13Å; K59-H62 PolarHBondContact O-N 2.9Å; K59-F63 WeakPolarHBondContact O-CB 3.4Å; K59-F63 PolarHBondContact O-N 3.02Å; K59-Y164 HydrophobicContact CB-CD1 4.33Å; K59-Y164 WeakPolarHBondContact O-CD1 3.2Å; K59-N166 PolarHBondContact NZ-O 2.98Å; K59-N166 PolarHBondContact NZ-OXT 2.79Å
60S88.8Confident82.4Confident19 Ų1976.8 Ų76.813%0.13339%0.386CS..Hα-helixtrans-62.4-40.4178.1-62.60000111.8F56 T57 E58 A64F56-S60 VanDerWaalsContact CE1-OG 3.24Å; F56-S60 WeakPolarHBondContact CE1-OG 3.3Å; F56-S60 WeakPolarHBondContact O-CB 3.36Å; F56-S60 PolarHBondContact O-N 3.49Å; F56-S60 PolarHBondContact O-OG 3.47Å; T57-S60 PolarHBondContact O-N 2.87Å; E58-S60 VanDerWaalsContact C-N 3.35Å; E58-S60 PolarHBondContact O-N 2.81Å; S60-A64 WeakPolarHBondContact O-CB 3.44Å; S60-A64 PolarHBondContact O-N 2.92Å
61K92.5Very high84.6Confident89 Ų8968.4 Ų68.439%0.38735%0.346SS..Hα-helixtrans-64.6-49.1176.2-177.6179171.4-174.40111.4I41 T57 E58 K59 F63 A64 E65 L87I41-K61 HydrophobicContact CD1-CB 4.36Å; T57-K61 VanDerWaalsContact O-CB 3.25Å; T57-K61 WeakPolarHBondContact O-CB 3.43Å; T57-K61 PolarHBondContact O-N 2.58Å; E58-K61 PolarHBondContact O-N 3.1Å; K59-K61 VanDerWaalsContact C-N 3.31Å; K59-K61 PolarHBondContact O-N 3.13Å; K61-F63 VanDerWaalsContact C-N 3.33Å; K61-F63 PolarHBondContact O-N 3.35Å; K61-A64 PolarHBondContact O-N 3.3Å; K61-E65 WeakPolarHBondContact CE-OE1 3.43Å; K61-E65 HydrophobicContact CG-CG 4.44Å; K61-E65 IonicContact NZ-OE1 3.11Å; K61-E65 WeakPolarHBondContact O-CB 3.22Å; K61-E65 WeakPolarHBondContact O-CG 3.22Å; K61-E65 PolarHBondContact O-N 3.48Å; K61-L87 HydrophobicContact CG-CD2 4.06Å
62H94.5Very high86.9Confident74 Ų7466.1 Ų66.134%0.34333%0.325SS..Hα-helixtrans-60.1-42.7177-75.2-57.9000111.8E58 K59 A64 E65 E66 Y164E58-H62 WeakPolarHBondContact CG-NE2 3.49Å; E58-H62 PolarHBondContact O-CD2 2.97Å; E58-H62 PolarHBondContact O-N 3.41Å; E58-H62 IonicContact OE1-CD2 3.59Å; E58-H62 IonicContact OE1-NE2 3.61Å; E58-H62 PolarHBondContact OE1-NE2 3.28Å; E58-H62 VanDerWaalsContact OE1-NE2 3.11Å; K59-H62 PolarHBondContact O-N 2.9Å; H62-A64 PolarHBondContact O-N 3.44Å; H62-E65 PolarHBondContact O-N 2.93Å; H62-E66 PolarHBondContact O-N 2.94Å; H62-Y164 HydrophobicContact CB-CD1 4.37Å; H62-Y164 HydrophobicContact CB-CE1 3.45Å; H62-Y164 VanDerWaalsContact CB-CE1 3.45Å
63F94.2Very high89Confident30 Ų3063 Ų6313%0.13232%0.318CS..Hα-helixtrans-58.3-48.3174.1175.3-113.3000111.9K59 K61 E65 E66 L67 L160 R161 Y164K59-F63 WeakPolarHBondContact O-CB 3.4Å; K59-F63 PolarHBondContact O-N 3.02Å; K61-F63 VanDerWaalsContact C-N 3.33Å; K61-F63 PolarHBondContact O-N 3.35Å; F63-E65 VanDerWaalsContact C-N 3.35Å; F63-E65 PolarHBondContact O-N 3.21Å; F63-E66 PolarHBondContact O-N 2.96Å; F63-L67 HydrophobicContact CD1-CD1 3.89Å; F63-L67 HydrophobicContact CD2-CG 4.44Å; F63-L67 HydrophobicContact CE1-CD1 3.39Å; F63-L67 HydrophobicContact CE1-CG 4.26Å; F63-L67 HydrophobicContact CE2-CD1 4.1Å; F63-L67 HydrophobicContact CE2-CD2 4.38Å; F63-L67 HydrophobicContact CE2-CG 4.12Å; F63-L67 HydrophobicContact CG-CD1 4.45Å; F63-L67 HydrophobicContact CZ-CD1 3.52Å; F63-L67 HydrophobicContact CZ-CD2 4.31Å; F63-L67 HydrophobicContact CZ-CG 4.03Å; F63-L67 WeakPolarHBondContact O-CB 3.5Å; F63-L67 WeakPolarHBondContact O-CG 3.38Å; F63-L67 PolarHBondContact O-N 3.14Å; F63-L160 HydrophobicContact CD2-CG 4.2Å; F63-L160 HydrophobicContact CE2-CD2 4.27Å; F63-L160 HydrophobicContact CE2-CG 4.02Å; F63-R161 HydrophobicContact CE2-CG 4.16Å; F63-R161 HydrophobicContact CZ-CG 4.19Å; F63-Y164 HydrophobicContact CB-CD1 4.12Å; F63-Y164 HydrophobicContact CB-CD2 3.83Å; F63-Y164 HydrophobicContact CB-CE2 4.33Å; F63-Y164 HydrophobicContact CB-CG 3.71Å; F63-Y164 AromaticContact CD2-CD2 3.66Å; F63-Y164 HydrophobicContact CD2-CD2 3.66Å; F63-Y164 HydrophobicContact CD2-CE2 4.39Å; F63-Y164 HydrophobicContact CD2-CG 4.16Å; F63-Y164 HydrophobicContact CG-CD2 4.22Å; F63-Y164 HydrophobicContact CG-CG 4.35Å
64A95.6Very high90.8Very high0 Ų061 Ų610%031%0.308CS..Hα-helixtrans-65-37.8179.100000112.6N39 I41 S60 K61 H62 L68 L87N39-A64 HydrophobicContact CB-CB 4.43Å; N39-A64 VanDerWaalsContact OD1-CB 3.26Å; N39-A64 WeakPolarHBondContact OD1-CB 3.39Å; I41-A64 HydrophobicContact CD1-CB 3.99Å; I41-A64 HydrophobicContact CG1-CB 4.29Å; S60-A64 WeakPolarHBondContact O-CB 3.44Å; S60-A64 PolarHBondContact O-N 2.92Å; K61-A64 PolarHBondContact O-N 3.3Å; H62-A64 PolarHBondContact O-N 3.44Å; A64-L68 WeakPolarHBondContact O-CB 3.44Å; A64-L68 VanDerWaalsContact O-CG 3.24Å; A64-L68 WeakPolarHBondContact O-CG 3.43Å; A64-L68 PolarHBondContact O-N 3.5Å; A64-L87 HydrophobicContact CB-CD1 3.54Å; A64-L87 HydrophobicContact CB-CD2 4.25Å
65E97.4Very high92.3Very high74 Ų7457.2 Ų57.235%0.34628%0.276SS..Hα-helixtrans-66.1-44.8175.6-73.9176.4170.500111.6K61 H62 F63 L68 N69 L87K61-E65 WeakPolarHBondContact CE-OE1 3.43Å; K61-E65 HydrophobicContact CG-CG 4.44Å; K61-E65 IonicContact NZ-OE1 3.11Å; K61-E65 WeakPolarHBondContact O-CB 3.22Å; K61-E65 WeakPolarHBondContact O-CG 3.22Å; K61-E65 PolarHBondContact O-N 3.48Å; H62-E65 PolarHBondContact O-N 2.93Å; F63-E65 VanDerWaalsContact C-N 3.35Å; F63-E65 PolarHBondContact O-N 3.21Å; E65-L68 PolarHBondContact O-N 3.28Å; E65-N69 VanDerWaalsContact O-CB 3.32Å; E65-N69 WeakPolarHBondContact O-CB 3.18Å; E65-N69 PolarHBondContact O-N 2.97Å; E65-N69 PolarHBondContact O-ND2 3.4Å; E65-N69 VanDerWaalsContact O-ND2 3.16Å; E65-L87 HydrophobicContact CG-CD2 4.15Å
66E97.7Very high93.7Very high75 Ų7553.4 Ų53.435%0.3526%0.263SS..Hα-helixtrans-62.5-42.7174.8-75.2-166-17700111.7H62 F63 G70 L160 K163 Y164H62-E66 PolarHBondContact O-N 2.94Å; F63-E66 PolarHBondContact O-N 2.96Å; E66-G70 PolarHBondContact O-N 3.02Å; E66-L160 HydrophobicContact CB-CD1 4.05Å; E66-L160 WeakPolarHBondContact OE2-CD1 3.25Å; E66-K163 IonicContact OE1-NZ 2.79Å; E66-K163 PolarHBondContact OE1-NZ 3.43Å; E66-K163 IonicContact OE2-NZ 2.82Å; E66-K163 PolarHBondContact OE2-NZ 2.89Å; E66-Y164 PolarHBondContact OE1-OH 2.89Å; E66-Y164 PolarHBondContact OE2-OH 3.09Å
67L97.5Very high94.9Very high0 Ų054.4 Ų54.40%027%0.273CS..Hα-helixtrans-58.2-53.4173.8-78.9177.3000111.9F63 N69 G70 Y71 V155 A156 L160F63-L67 HydrophobicContact CD1-CD1 3.89Å; F63-L67 HydrophobicContact CD2-CG 4.44Å; F63-L67 HydrophobicContact CE1-CD1 3.39Å; F63-L67 HydrophobicContact CE1-CG 4.26Å; F63-L67 HydrophobicContact CE2-CD1 4.1Å; F63-L67 HydrophobicContact CE2-CD2 4.38Å; F63-L67 HydrophobicContact CE2-CG 4.12Å; F63-L67 HydrophobicContact CG-CD1 4.45Å; F63-L67 HydrophobicContact CZ-CD1 3.52Å; F63-L67 HydrophobicContact CZ-CD2 4.31Å; F63-L67 HydrophobicContact CZ-CG 4.03Å; F63-L67 WeakPolarHBondContact O-CB 3.5Å; F63-L67 WeakPolarHBondContact O-CG 3.38Å; F63-L67 PolarHBondContact O-N 3.14Å; L67-N69 VanDerWaalsContact C-N 3.32Å; L67-N69 PolarHBondContact O-N 3.25Å; L67-G70 PolarHBondContact O-N 3.35Å; L67-Y71 HydrophobicContact CB-CD2 4.43Å; L67-Y71 HydrophobicContact CB-CE2 4.24Å; L67-Y71 HydrophobicContact CD2-CE2 4.14Å; L67-Y71 WeakPolarHBondContact O-CD2 3.1Å; L67-Y71 PolarHBondContact O-N 2.82Å; L67-V155 HydrophobicContact CD2-CG1 3.95Å; L67-V155 WeakPolarHBondContact O-CG1 3.36Å; L67-A156 HydrophobicContact CD2-CB 4.08Å; L67-L160 HydrophobicContact CD2-CD2 3.65Å; L67-L160 HydrophobicContact CG-CD2 4.13Å
68L98.6Very high95.9Very high6 Ų654.2 Ų54.23%0.03128%0.276CS..Hα-helixtrans-63.4-40-176.4-74.2174.2000111.7V11 I37 N39 A64 E65 K72 T85 L87V11-L68 HydrophobicContact CG2-CD2 4.38Å; I37-L68 HydrophobicContact CB-CD2 4.36Å; I37-L68 HydrophobicContact CG2-CD2 3.87Å; I37-L68 WeakPolarHBondContact O-CD2 3.47Å; N39-L68 HydrophobicContact CB-CD1 4.21Å; N39-L68 HydrophobicContact CB-CD2 4.09Å; N39-L68 HydrophobicContact CB-CG 4.13Å; A64-L68 WeakPolarHBondContact O-CB 3.44Å; A64-L68 VanDerWaalsContact O-CG 3.24Å; A64-L68 WeakPolarHBondContact O-CG 3.43Å; A64-L68 PolarHBondContact O-N 3.5Å; E65-L68 PolarHBondContact O-N 3.28Å; L68-K72 WeakPolarHBondContact O-CB 3.48Å; L68-K72 PolarHBondContact O-N 2.91Å; L68-T85 HydrophobicContact CB-CG2 4.01Å; L68-T85 HydrophobicContact CD2-CG2 4.25Å; L68-T85 WeakPolarHBondContact O-CG2 3.46Å; L68-L87 HydrophobicContact CD1-CB 3.85Å
69N98.4Very high96.5Very high101 Ų10151.2 Ų51.254%0.5427%0.274SS..Hα-helixtrans-63-47.2175.4-72.9-26.1000111.4E65 L67 Y71 K72 E73E65-N69 VanDerWaalsContact O-CB 3.32Å; E65-N69 WeakPolarHBondContact O-CB 3.18Å; E65-N69 PolarHBondContact O-N 2.97Å; E65-N69 PolarHBondContact O-ND2 3.4Å; E65-N69 VanDerWaalsContact O-ND2 3.16Å; L67-N69 VanDerWaalsContact C-N 3.32Å; L67-N69 PolarHBondContact O-N 3.25Å; N69-Y71 PolarHBondContact O-N 3.19Å; N69-K72 PolarHBondContact O-N 3.49Å; N69-E73 PolarHBondContact O-N 2.89Å
70G98.4Very high97Very high17 Ų1747.8 Ų47.818%0.17526%0.259CS..Hα-helixtrans-60.6-45.817700000112.7E66 L67 K72 E73 V74 V155E66-G70 PolarHBondContact O-N 3.02Å; L67-G70 PolarHBondContact O-N 3.35Å; G70-K72 VanDerWaalsContact C-N 3.35Å; G70-K72 PolarHBondContact O-N 3.24Å; G70-E73 PolarHBondContact O-N 2.95Å; G70-V74 WeakPolarHBondContact O-CG2 3.33Å; G70-V74 PolarHBondContact O-N 3.32Å; G70-V155 VanDerWaalsContact C-CG2 3.48Å
71Y98.7Very high97.4Very high0 Ų054.8 Ų54.80%029%0.287CS..Hα-helixtrans-64.5-38.8177.4-71.4-51.9000112.7V11 E18 F21 I37 L67 N69 E73 V74 A75 V155 A156V11-Y71 HydrophobicContact CB-CD2 4.26Å; V11-Y71 HydrophobicContact CB-CE2 3.72Å; V11-Y71 HydrophobicContact CG1-CD2 4.29Å; V11-Y71 HydrophobicContact CG1-CE2 3.94Å; V11-Y71 HydrophobicContact CG2-CD2 3.8Å; V11-Y71 HydrophobicContact CG2-CE2 3.68Å; E18-Y71 HydrophobicContact CB-CE1 4.02Å; E18-Y71 WeakPolarHBondContact CB-OH 3.4Å; E18-Y71 HydrophobicContact CG-CE1 3.77Å; F21-Y71 HydrophobicContact CB-CD1 4.49Å; F21-Y71 HydrophobicContact CB-CE1 4.4Å; F21-Y71 AromaticContact CD1-CD1 3.47Å; F21-Y71 HydrophobicContact CD1-CD1 3.47Å; F21-Y71 VanDerWaalsContact CD1-CD1 3.47Å; F21-Y71 AromaticContact CD1-CE1 3.82Å; F21-Y71 HydrophobicContact CD1-CE1 3.82Å; F21-Y71 HydrophobicContact CD1-CG 4.47Å; F21-Y71 HydrophobicContact CD2-CD1 4.01Å; F21-Y71 HydrophobicContact CD2-CG 4.27Å; F21-Y71 AromaticContact CE1-CD1 3.57Å; F21-Y71 HydrophobicContact CE1-CD1 3.57Å; F21-Y71 HydrophobicContact CE1-CE1 4.3Å; F21-Y71 HydrophobicContact CE1-CG 4.46Å; F21-Y71 HydrophobicContact CE2-CD1 4.09Å; F21-Y71 HydrophobicContact CE2-CG 4.25Å; F21-Y71 AromaticContact CG-CD1 3.7Å; F21-Y71 HydrophobicContact CG-CD1 3.7Å; F21-Y71 HydrophobicContact CG-CE1 4.05Å; F21-Y71 HydrophobicContact CG-CG 4.38Å; F21-Y71 AromaticContact CZ-CD1 3.88Å; F21-Y71 HydrophobicContact CZ-CD1 3.88Å; F21-Y71 HydrophobicContact CZ-CG 4.34Å; F21-Y71 WeakPolarHBondContact CZ-O 3.41Å; I37-Y71 HydrophobicContact CG2-CD2 4.33Å; L67-Y71 HydrophobicContact CB-CD2 4.43Å; L67-Y71 HydrophobicContact CB-CE2 4.24Å; L67-Y71 HydrophobicContact CD2-CE2 4.14Å; L67-Y71 WeakPolarHBondContact O-CD2 3.1Å; L67-Y71 PolarHBondContact O-N 2.82Å; N69-Y71 PolarHBondContact O-N 3.19Å; Y71-E73 VanDerWaalsContact C-N 3.33Å; Y71-E73 PolarHBondContact O-N 3.49Å; Y71-V74 PolarHBondContact O-N 3.43Å; Y71-A75 WeakPolarHBondContact O-CB 3.32Å; Y71-A75 PolarHBondContact O-N 2.86Å; Y71-V155 HydrophobicContact CD1-CB 3.8Å; Y71-V155 HydrophobicContact CD1-CG1 3.95Å; Y71-V155 HydrophobicContact CD1-CG2 3.66Å; Y71-V155 HydrophobicContact CD2-CG1 4.05Å; Y71-V155 HydrophobicContact CE1-CB 3.57Å; Y71-V155 HydrophobicContact CE1-CG1 3.88Å; Y71-V155 HydrophobicContact CE1-CG2 3.9Å; Y71-V155 HydrophobicContact CE2-CG1 4.02Å; Y71-V155 HydrophobicContact CG-CB 4.38Å; Y71-V155 HydrophobicContact CG-CG1 4.01Å; Y71-V155 HydrophobicContact CG-CG2 4.29Å; Y71-A156 WeakPolarHBondContact OH-CB 3.44Å
72K98.7Very high97.7Very high88 Ų8854.4 Ų54.438%0.38329%0.29SS..Hα-helixtrans-60.9-44.6175.6-176.6174.1-176.9175.60111.4L68 N69 G70 T76 V83 T85L68-K72 WeakPolarHBondContact O-CB 3.48Å; L68-K72 PolarHBondContact O-N 2.91Å; N69-K72 PolarHBondContact O-N 3.49Å; G70-K72 VanDerWaalsContact C-N 3.35Å; G70-K72 PolarHBondContact O-N 3.24Å; K72-T76 VanDerWaalsContact O-CB 3.32Å; K72-T76 WeakPolarHBondContact O-CB 3.28Å; K72-T76 PolarHBondContact O-N 2.91Å; K72-T76 PolarHBondContact O-OG1 2.96Å; K72-V83 HydrophobicContact CB-CG1 4.37Å; K72-V83 HydrophobicContact CG-CB 4.37Å; K72-V83 HydrophobicContact CG-CG1 3.94Å; K72-T85 HydrophobicContact CB-CG2 3.84Å; K72-T85 HydrophobicContact CD-CG2 4.17Å; K72-T85 HydrophobicContact CG-CG2 4.4Å
73E98.5Very high97.9Very high124 Ų12451.7 Ų51.758%0.57928%0.278SS*.Hα-helixtrans-61.3-50176.7-177.7174.6-177.500111.3N69 G70 Y71 A75 T76 N77N69-E73 PolarHBondContact O-N 2.89Å; G70-E73 PolarHBondContact O-N 2.95Å; Y71-E73 VanDerWaalsContact C-N 3.33Å; Y71-E73 PolarHBondContact O-N 3.49Å; E73-A75 PolarHBondContact O-N 3.21Å; E73-T76 PolarHBondContact O-N 3.4Å; E73-N77 WeakPolarHBondContact CG-ND2 3.47Å; E73-N77 VanDerWaalsContact O-CB 3.31Å; E73-N77 WeakPolarHBondContact O-CB 3.42Å; E73-N77 VanDerWaalsContact O-CG 3.28Å; E73-N77 PolarHBondContact O-N 3.44Å; E73-N77 PolarHBondContact O-ND2 3.03Å
74V98.5Very high98.1Very high26 Ų2653 Ų5316%0.15829%0.285CS..Hα-helixtrans-58.6-46178.4173.20000111.6F21 G70 Y71 A78 Q154 V155F21-V74 HydrophobicContact CE1-CB 4.14Å; F21-V74 HydrophobicContact CE1-CG1 3.79Å; F21-V74 HydrophobicContact CZ-CB 4.24Å; F21-V74 HydrophobicContact CZ-CG1 4.21Å; G70-V74 WeakPolarHBondContact O-CG2 3.33Å; G70-V74 PolarHBondContact O-N 3.32Å; Y71-V74 PolarHBondContact O-N 3.43Å; V74-A78 VanDerWaalsContact O-CB 3.25Å; V74-A78 WeakPolarHBondContact O-CB 3.16Å; V74-A78 PolarHBondContact O-N 2.96Å; V74-Q154 HydrophobicContact CG2-CB 4.25Å; V74-V155 HydrophobicContact CG2-CG2 3.8Å
75A98.7Very high98.3Very high0 Ų054.8 Ų54.80%030%0.296CS..Hα-helixtrans-64.4-42.4179.400000112.3F21 V25 L35 Y71 E73 A78 G79 V80 V83F21-A75 HydrophobicContact CE2-CB 4.1Å; F21-A75 HydrophobicContact CZ-CB 3.9Å; V25-A75 HydrophobicContact CG2-CB 3.95Å; L35-A75 HydrophobicContact CD2-CB 4.14Å; Y71-A75 WeakPolarHBondContact O-CB 3.32Å; Y71-A75 PolarHBondContact O-N 2.86Å; E73-A75 PolarHBondContact O-N 3.21Å; A75-A78 PolarHBondContact O-N 3.08Å; A75-G79 PolarHBondContact O-N 3.43Å; A75-V80 HydrophobicContact CB-CB 4.49Å; A75-V80 HydrophobicContact CB-CG2 4.37Å; A75-V80 WeakPolarHBondContact O-CB 3.15Å; A75-V80 WeakPolarHBondContact O-CG2 3.39Å; A75-V80 PolarHBondContact O-N 3.32Å; A75-V83 HydrophobicContact CB-CG1 4.1Å; A75-V83 HydrophobicContact CB-CG2 3.93Å
76T98.4Very high98.3Very high68 Ų6854 Ų5442%0.41729%0.29SS..Hα-helixtrans-66.2-47.8179.2-550000110.7K72 E73 A78 G79K72-T76 VanDerWaalsContact O-CB 3.32Å; K72-T76 WeakPolarHBondContact O-CB 3.28Å; K72-T76 PolarHBondContact O-N 2.91Å; K72-T76 PolarHBondContact O-OG1 2.96Å; E73-T76 PolarHBondContact O-N 3.4Å; T76-A78 PolarHBondContact O-N 2.92Å; T76-G79 WeakPolarHBondContact O-CA 3.37Å; T76-G79 PolarHBondContact O-N 2.85Å
77N98.2Very high98.3Very high124 Ų12452.3 Ų52.366%0.66328%0.283SS*.Hα-helixtrans-63.8-30.7177.9-72.2-16.3000112.1E73 G79E73-N77 WeakPolarHBondContact CG-ND2 3.47Å; E73-N77 VanDerWaalsContact O-CB 3.31Å; E73-N77 WeakPolarHBondContact O-CB 3.42Å; E73-N77 VanDerWaalsContact O-CG 3.28Å; E73-N77 PolarHBondContact O-N 3.44Å; E73-N77 PolarHBondContact O-ND2 3.03Å; N77-G79 PolarHBondContact O-N 3.39Å
78A97.9Very high98.2Very high38 Ų3853.1 Ų53.131%0.31429%0.287SS..THydrogen-bonded Turntrans-72.6-11.4172.100000113.4V25 K29 V74 A75 T76V25-A78 HydrophobicContact CG1-CB 3.63Å; K29-A78 VanDerWaalsContact CD-O 3.29Å; K29-A78 WeakPolarHBondContact CD-O 3.46Å; K29-A78 WeakPolarHBondContact CE-O 3.4Å; K29-A78 PolarHBondContact NZ-O 2.9Å; V74-A78 VanDerWaalsContact O-CB 3.25Å; V74-A78 WeakPolarHBondContact O-CB 3.16Å; V74-A78 PolarHBondContact O-N 2.96Å; A75-A78 PolarHBondContact O-N 3.08Å; T76-A78 PolarHBondContact O-N 2.92Å
79G97.9Very high98Very high45 Ų4557.6 Ų57.646%0.46431%0.306SS..THydrogen-bonded Turntrans99.519.9175.100000115.6A75 T76 N77A75-G79 PolarHBondContact O-N 3.43Å; T76-G79 WeakPolarHBondContact O-CA 3.37Å; T76-G79 PolarHBondContact O-N 2.85Å; N77-G79 PolarHBondContact O-N 3.39Å
80V98.6Very high97.7Very high5 Ų553.2 Ų53.23%0.0329%0.285CS..  trans-74.2124.1166.2-1760000108.2V25 A28 K29 L35 A75 V83V25-V80 HydrophobicContact CG1-CG2 3.87Å; A28-V80 HydrophobicContact CB-CG1 4.02Å; A28-V80 HydrophobicContact CB-CG2 4.11Å; K29-V80 HydrophobicContact CD-CG2 4.49Å; K29-V80 HydrophobicContact CG-CG2 3.79Å; L35-V80 HydrophobicContact CB-CG1 4.02Å; A75-V80 HydrophobicContact CB-CB 4.49Å; A75-V80 HydrophobicContact CB-CG2 4.37Å; A75-V80 WeakPolarHBondContact O-CB 3.15Å; A75-V80 WeakPolarHBondContact O-CG2 3.39Å; A75-V80 PolarHBondContact O-N 3.32Å; V80-V83 HydrophobicContact CB-CG2 3.7Å; V80-V83 HydrophobicContact CG1-CG2 3.56Å
81K97.1Very high97.5Very high166 Ų16653.5 Ų53.572%0.72228%0.284SS*.SBendtrans-78.2-34.3-171.8-60.9178.5-169.3152.30113.9D32D32-K81 VanDerWaalsContact CG-NZ 3.32Å; D32-K81 WeakPolarHBondContact OD1-CD 3.43Å; D32-K81 WeakPolarHBondContact OD1-CE 3.47Å; D32-K81 IonicContact OD1-NZ 3.23Å; D32-K81 PolarHBondContact OD1-NZ 3.07Å; D32-K81 IonicContact OD2-NZ 2.8Å; D32-K81 PolarHBondContact OD2-NZ 3.27Å; D32-K81 VanDerWaalsContact OD2-NZ 3.11Å
82D98.5Very high97.3Very high82 Ų8254.3 Ų54.344%0.43929%0.289SS..  trans-125105.6-177.6-172.5-6.3000109.2K34 L35K34-D82 WeakPolarHBondContact CA-O 3.37Å; K34-D82 HydrophobicContact CB-CB 4.25Å; K34-D82 WeakPolarHBondContact CD-OD2 3.33Å; K34-D82 HydrophobicContact CG-CB 4.26Å; L35-D82 PolarHBondContact N-O 2.94Å
83V98.8Very high97.1Very high16 Ų1653.7 Ų53.710%0.09729%0.287CS..EExtended strand (participates in β ladder)trans-125.4118.7-178.1-171.70000109.4L35 I37 K72 A75 V80L35-V83 WeakPolarHBondContact O-CA 3.3Å; I37-V83 HydrophobicContact CD1-CG1 3.62Å; I37-V83 HydrophobicContact CG1-CG1 4.45Å; K72-V83 HydrophobicContact CB-CG1 4.37Å; K72-V83 HydrophobicContact CG-CB 4.37Å; K72-V83 HydrophobicContact CG-CG1 3.94Å; A75-V83 HydrophobicContact CB-CG1 4.1Å; A75-V83 HydrophobicContact CB-CG2 3.93Å; V80-V83 HydrophobicContact CB-CG2 3.7Å; V80-V83 HydrophobicContact CG1-CG2 3.56Å
84E98.5Very high97Very high57 Ų5750.5 Ų50.527%0.26628%0.278SS..EExtended strand (participates in β ladder)trans-113.3146.7175.1-173.9178.2154.200110.1K34 L35 T36 I37 R86K34-E84 WeakPolarHBondContact CE-OE2 2.99Å; K34-E84 IonicContact NZ-OE2 3.04Å; K34-E84 PolarHBondContact NZ-OE2 2.8Å; L35-E84 PolarHBondContact O-N 3.19Å; T36-E84 CarbonylContact C-O 3.59Å; T36-E84 WeakPolarHBondContact CA-O 3.31Å; T36-E84 HydrophobicContact CG2-CB 4.47Å; I37-E84 PolarHBondContact N-O 3.1Å; E84-R86 VanDerWaalsContact OE1-CD 3.25Å; E84-R86 WeakPolarHBondContact OE1-CD 3.42Å; E84-R86 IonicContact OE1-NE 2.81Å
85T98.7Very high97Very high39 Ų3949.9 Ų49.924%0.23927%0.274CS..EExtended strand (participates in β ladder)trans-116.8142.3172.852.20000110I37 L68 K72I37-T85 HydrophobicContact CB-CG2 4.42Å; I37-T85 HydrophobicContact CD1-CG2 4.44Å; I37-T85 CarbonylContact O-C 3.57Å; I37-T85 WeakPolarHBondContact O-CA 3.47Å; L68-T85 HydrophobicContact CB-CG2 4.01Å; L68-T85 HydrophobicContact CD2-CG2 4.25Å; L68-T85 WeakPolarHBondContact O-CG2 3.46Å; K72-T85 HydrophobicContact CB-CG2 3.84Å; K72-T85 HydrophobicContact CD-CG2 4.17Å; K72-T85 HydrophobicContact CG-CG2 4.4Å
86R98.4Very high97Very high57 Ų5750.1 Ų50.122%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-131.8121.2177.5-63.2-68.5-101.992.711.1109.4T36 I37 V38 N39 E84 E88 L100 E103T36-R86 HydrophobicContact CG2-CB 4.49Å; T36-R86 HydrophobicContact CG2-CG 3.68Å; I37-R86 PolarHBondContact O-N 3.02Å; V38-R86 VanDerWaalsContact CA-O 3.3Å; V38-R86 WeakPolarHBondContact CA-O 3.44Å; V38-R86 HydrophobicContact CB-CB 4.35Å; V38-R86 HydrophobicContact CG2-CB 4.17Å; V38-R86 WeakPolarHBondContact CG2-O 3.43Å; N39-R86 PolarHBondContact N-O 2.92Å; E84-R86 VanDerWaalsContact OE1-CD 3.25Å; E84-R86 WeakPolarHBondContact OE1-CD 3.42Å; E84-R86 IonicContact OE1-NE 2.81Å; R86-E88 IonicContact CZ-OE1 3.11Å; R86-E88 IonicContact NH1-OE1 2.63Å; R86-E88 PolarHBondContact NH1-OE1 2.87Å; R86-E88 IonicContact NH2-OE1 2.77Å; R86-E88 PolarHBondContact NH2-OE1 2.89Å; R86-L100 HydrophobicContact CB-CD2 4.29Å; R86-L100 HydrophobicContact CG-CD1 4.29Å; R86-E103 IonicContact NH2-OE2 3.97Å; R86-E103 PolarHBondContact NH2-OE2 2.79Å
87L97.5Very high96.9Very high40 Ų4046.9 Ų46.921%0.20926%0.255CS..EExtended strand (participates in β ladder)trans-100.9124.4166.4-178.655000108.5N39 I41 K61 A64 E65 L68 F89N39-L87 HydrophobicContact CB-CD1 4.35Å; I41-L87 HydrophobicContact CD1-CD1 3.85Å; I41-L87 HydrophobicContact CD1-CD2 4.42Å; I41-L87 HydrophobicContact CG1-CD1 4Å; K61-L87 HydrophobicContact CG-CD2 4.06Å; A64-L87 HydrophobicContact CB-CD1 3.54Å; A64-L87 HydrophobicContact CB-CD2 4.25Å; E65-L87 HydrophobicContact CG-CD2 4.15Å; L68-L87 HydrophobicContact CD1-CB 3.85Å; L87-F89 HydrophobicContact CD2-CE2 4.48Å; L87-F89 HydrophobicContact CD2-CZ 4.25Å; L87-F89 HydrophobicContact CG-CE2 4.27Å; L87-F89 HydrophobicContact CG-CZ 4.37Å
88E96.1Very high96.9Very high17 Ų1746 Ų468%0.07925%0.245CC..EExtended strand (participates in β ladder)trans-125.3157.6-179.9-70.2-75.5156.600111.3V38 N39 V40 I41 R86 I95 K99V38-E88 HydrophobicContact CG2-CG 4.38Å; N39-E88 PolarHBondContact O-N 2.83Å; V40-E88 CarbonylContact C-O 3.6Å; V40-E88 WeakPolarHBondContact CA-O 3.38Å; V40-E88 HydrophobicContact CG1-CB 4.25Å; V40-E88 HydrophobicContact CG2-CB 4.19Å; I41-E88 PolarHBondContact N-O 2.88Å; R86-E88 IonicContact CZ-OE1 3.11Å; R86-E88 IonicContact NH1-OE1 2.63Å; R86-E88 PolarHBondContact NH1-OE1 2.87Å; R86-E88 IonicContact NH2-OE1 2.77Å; R86-E88 PolarHBondContact NH2-OE1 2.89Å; E88-I95 HydrophobicContact CB-CD1 4.3Å; E88-I95 HydrophobicContact CB-CG2 3.73Å; E88-I95 HydrophobicContact CG-CG2 3.77Å; E88-K99 IonicContact OE1-NZ 3.42Å; E88-K99 IonicContact OE2-NZ 2.71Å; E88-K99 PolarHBondContact OE2-NZ 3.07Å
89F93.2Very high96.9Very high100 Ų10048.2 Ų48.244%0.43925%0.248SC..EExtended strand (participates in β ladder)trans-123.4128.7179.3-63.5-92.6000110.6I41 L87 I95I41-F89 HydrophobicContact CB-CD1 3.92Å; I41-F89 HydrophobicContact CB-CE1 4.12Å; I41-F89 HydrophobicContact CD1-CD1 4.39Å; I41-F89 HydrophobicContact CD1-CE1 3.72Å; I41-F89 HydrophobicContact CD1-CZ 4.19Å; I41-F89 HydrophobicContact CG1-CE1 4.48Å; I41-F89 HydrophobicContact CG2-CD1 4.05Å; I41-F89 HydrophobicContact CG2-CE1 4.23Å; I41-F89 WeakPolarHBondContact O-CA 3.31Å; L87-F89 HydrophobicContact CD2-CE2 4.48Å; L87-F89 HydrophobicContact CD2-CZ 4.25Å; L87-F89 HydrophobicContact CG-CE2 4.27Å; L87-F89 HydrophobicContact CG-CZ 4.37Å; F89-I95 VanDerWaalsContact C-CD1 3.48Å; F89-I95 WeakPolarHBondContact O-CD1 3.37Å
90G92.8Very high96.9Very high9 Ų946.1 Ų46.19%0.09323%0.226CC..SBendtrans127.1-160.1178.100000112.6V40 I41 D42 S43 P92V40-G90 VanDerWaalsContact CG1-O 3.28Å; V40-G90 WeakPolarHBondContact CG1-O 3.4Å; I41-G90 PolarHBondContact O-N 2.83Å; D42-G90 WeakPolarHBondContact CA-O 3.3Å; S43-G90 WeakPolarHBondContact OG-CA 3.43Å; S43-G90 PolarHBondContact OG-N 2.63Å; G90-P92 WeakPolarHBondContact O-CD 3.49Å
91S93.4Very high96.9Very high22 Ų2245.9 Ų45.915%0.15423%0.225CC..  trans-68.3113.7-175.2175.90000112.2R44 K93 S94 I95R44-S91 VanDerWaalsContact CZ-OG 3.27Å; R44-S91 PolarHBondContact NH1-OG 2.92Å; R44-S91 PolarHBondContact NH2-OG 2.93Å; S91-K93 PolarHBondContact O-N 3.42Å; S91-S94 PolarHBondContact O-N 2.92Å; S91-I95 WeakPolarHBondContact O-CG1 3.34Å; S91-I95 PolarHBondContact O-N 3.45Å
92P95.3Very high97Very high18 Ų1843.1 Ų43.112%0.11721%0.214CC..Hα-helixtrans-56.2-36.5175.618.7-30.7000112.4V40 G90 S94 I95 I96 V127V40-P92 HydrophobicContact CB-CB 4.04Å; V40-P92 HydrophobicContact CG1-CB 4.2Å; V40-P92 HydrophobicContact CG2-CB 4.37Å; G90-P92 WeakPolarHBondContact O-CD 3.49Å; P92-S94 PolarHBondContact O-N 3.28Å; P92-S94 VanDerWaalsContact O-N 3.14Å; P92-I95 PolarHBondContact O-N 3.4Å; P92-I96 HydrophobicContact CB-CD1 4.02Å; P92-I96 WeakPolarHBondContact O-CB 3.47Å; P92-I96 PolarHBondContact O-N 3.2Å; P92-I96 VanDerWaalsContact O-N 3.07Å; P92-V127 HydrophobicContact CB-CG1 4.07Å; P92-V127 HydrophobicContact CB-CG2 3.98Å; P92-V127 HydrophobicContact CG-CG2 3.78Å
93K95.1Very high97Very high75 Ų7543.8 Ų43.833%0.32621%0.214SC..Hα-helixtrans-59.5-24177-63.3-177-173.8-1780114.2S91 P97 S126 V127 S130S91-K93 PolarHBondContact O-N 3.42Å; K93-P97 VanDerWaalsContact O-CG 3.23Å; K93-P97 WeakPolarHBondContact O-CG 3.24Å; K93-S126 VanDerWaalsContact CE-CB 3.46Å; K93-S126 WeakPolarHBondContact CE-O 3.23Å; K93-S126 WeakPolarHBondContact CE-OG 3.47Å; K93-S126 PolarHBondContact NZ-OG 3.05Å; K93-V127 HydrophobicContact CG-CG2 4.33Å; K93-S130 WeakPolarHBondContact CB-OG 3.47Å; K93-S130 PolarHBondContact O-OG 2.91Å
94S96Very high96.9Very high56 Ų5644.2 Ų44.239%0.39222%0.216SC..Hα-helixtrans-103.5-46.7178.8-167.80000110.7S91 P92 I96 K98 K99S91-S94 PolarHBondContact O-N 2.92Å; P92-S94 PolarHBondContact O-N 3.28Å; P92-S94 VanDerWaalsContact O-N 3.14Å; S94-I96 PolarHBondContact O-N 3.16Å; S94-K98 WeakPolarHBondContact O-CA 3.36Å; S94-K98 VanDerWaalsContact O-CB 3.22Å; S94-K98 WeakPolarHBondContact O-CB 3.37Å; S94-K98 PolarHBondContact O-N 2.9Å; S94-K99 PolarHBondContact O-N 3.47Å
95I97.7Very high96.9Very high14 Ų1447.3 Ų47.37%0.07223%0.234CC..Iπ-helixtrans-61.8-49.4-174.5-71.4169.9000110.8V40 E88 F89 S91 P92 K99 L100V40-I95 HydrophobicContact CG1-CB 4.42Å; V40-I95 HydrophobicContact CG1-CD1 3.68Å; V40-I95 HydrophobicContact CG1-CG2 4.49Å; V40-I95 HydrophobicContact CG2-CG2 4.11Å; E88-I95 HydrophobicContact CB-CD1 4.3Å; E88-I95 HydrophobicContact CB-CG2 3.73Å; E88-I95 HydrophobicContact CG-CG2 3.77Å; F89-I95 VanDerWaalsContact C-CD1 3.48Å; F89-I95 WeakPolarHBondContact O-CD1 3.37Å; S91-I95 WeakPolarHBondContact O-CG1 3.34Å; S91-I95 PolarHBondContact O-N 3.45Å; P92-I95 PolarHBondContact O-N 3.4Å; I95-K99 WeakPolarHBondContact O-CB 3.06Å; I95-K99 PolarHBondContact O-N 3.34Å; I95-L100 WeakPolarHBondContact O-CB 3.41Å; I95-L100 PolarHBondContact O-N 3.49Å
96I98.2Very high96.9Very high4 Ų445.9 Ų45.92%0.02123%0.226CC..Iπ-helixtrans-65.2-61.5-173.3-62.7162.1000111L8 A10 V38 V40 P92 S94 A101 I109 V127 I131L8-I96 HydrophobicContact CD2-CG2 4.05Å; A10-I96 HydrophobicContact CB-CD1 3.77Å; V38-I96 HydrophobicContact CG1-CG1 4.21Å; V40-I96 HydrophobicContact CG2-CD1 4.08Å; V40-I96 HydrophobicContact CG2-CG1 3.88Å; P92-I96 HydrophobicContact CB-CD1 4.02Å; P92-I96 WeakPolarHBondContact O-CB 3.47Å; P92-I96 PolarHBondContact O-N 3.2Å; P92-I96 VanDerWaalsContact O-N 3.07Å; S94-I96 PolarHBondContact O-N 3.16Å; I96-A101 WeakPolarHBondContact O-CB 3.33Å; I96-A101 PolarHBondContact O-N 2.94Å; I96-A101 VanDerWaalsContact O-N 3.09Å; I96-I109 HydrophobicContact CG2-CG2 4.03Å; I96-V127 HydrophobicContact CD1-CG1 3.93Å; I96-I131 HydrophobicContact CB-CD1 4.45Å; I96-I131 HydrophobicContact CB-CG1 4.35Å; I96-I131 HydrophobicContact CD1-CD1 4.36Å; I96-I131 HydrophobicContact CG2-CD1 3.75Å; I96-I131 HydrophobicContact CG2-CG1 3.84Å
97P98.1Very high96.9Very high0 Ų045.2 Ų45.20%023%0.227CC..Iπ-helixtrans-77.7-32.8-175.527.4-33.4000114.6K93 H134 A135 P136K93-P97 VanDerWaalsContact O-CG 3.23Å; K93-P97 WeakPolarHBondContact O-CG 3.24Å; P97-H134 HydrophobicContact CB-CB 3.97Å; P97-H134 HydrophobicContact CG-CB 4.13Å; P97-A135 HydrophobicContact CB-CB 4.48Å; P97-P136 WeakPolarHBondContact O-CD 3.35Å
98K97.6Very high96.9Very high107 Ų10743.5 Ų43.547%0.46522%0.218SC..Iπ-helixtrans-101.6-20.9-168.4-52.4-179.2-179.8-1780114.5S94 H102 H134S94-K98 WeakPolarHBondContact O-CA 3.36Å; S94-K98 VanDerWaalsContact O-CB 3.22Å; S94-K98 WeakPolarHBondContact O-CB 3.37Å; S94-K98 PolarHBondContact O-N 2.9Å; K98-H102 PolarHBondContact O-CD2 2.64Å; K98-H134 HydrophobicContact CG-CB 4.27Å
99K98.2Very high97.1Very high84 Ų8442.7 Ų42.737%0.36521%0.214SC..Iπ-helixtrans-110.9-69.6179.5178.9-171.2169.9-164.60109.9E88 S94 I95 A101 H102 E103E88-K99 IonicContact OE1-NZ 3.42Å; E88-K99 IonicContact OE2-NZ 2.71Å; E88-K99 PolarHBondContact OE2-NZ 3.07Å; S94-K99 PolarHBondContact O-N 3.47Å; I95-K99 WeakPolarHBondContact O-CB 3.06Å; I95-K99 PolarHBondContact O-N 3.34Å; K99-A101 PolarHBondContact O-N 2.95Å; K99-H102 PolarHBondContact O-N 3.16Å; K99-H102 VanDerWaalsContact O-N 3.14Å; K99-E103 WeakPolarHBondContact CE-OE1 3.34Å; K99-E103 HydrophobicContact CG-CG 4.4Å; K99-E103 WeakPolarHBondContact CG-OE1 3.33Å; K99-E103 WeakPolarHBondContact O-CG 3.43Å; K99-E103 PolarHBondContact O-N 3.4Å
100L98.1Very high97.3Very high0 Ų037.9 Ų37.90%019%0.193CC..Iπ-helixtrans-65.4-42.3-168.6-173.560.9000112.4L8 V38 R86 I95 H102 E103 I104L8-L100 HydrophobicContact CD1-CD2 3.73Å; L8-L100 HydrophobicContact CD1-CG 4.31Å; L8-L100 HydrophobicContact CD2-CB 4.42Å; L8-L100 HydrophobicContact CD2-CD2 4.11Å; L8-L100 HydrophobicContact CD2-CG 4.12Å; V38-L100 HydrophobicContact CB-CD2 3.65Å; V38-L100 HydrophobicContact CG1-CD2 4.05Å; V38-L100 HydrophobicContact CG2-CD2 3.47Å; V38-L100 VanDerWaalsContact CG2-CD2 3.47Å; R86-L100 HydrophobicContact CB-CD2 4.29Å; R86-L100 HydrophobicContact CG-CD1 4.29Å; I95-L100 WeakPolarHBondContact O-CB 3.41Å; I95-L100 PolarHBondContact O-N 3.49Å; L100-H102 PolarHBondContact O-N 3.04Å; L100-E103 PolarHBondContact O-N 3.19Å; L100-E103 VanDerWaalsContact O-N 3.16Å; L100-I104 HydrophobicContact CD1-CG2 3.84Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 3.5Å
101A98.4Very high97.5Very high1 Ų137.6 Ų37.61%0.00819%0.19CC..Hα-helixtrans-56.1-37176.700000112.8I96 K99 N105 A106 I109 P136I96-A101 WeakPolarHBondContact O-CB 3.33Å; I96-A101 PolarHBondContact O-N 2.94Å; I96-A101 VanDerWaalsContact O-N 3.09Å; K99-A101 PolarHBondContact O-N 2.95Å; A101-N105 PolarHBondContact O-N 3.35Å; A101-A106 HydrophobicContact CB-CB 4.22Å; A101-A106 PolarHBondContact O-N 3.17Å; A101-I109 HydrophobicContact CB-CD1 3.62Å; A101-I109 HydrophobicContact CB-CG1 4.43Å; A101-P136 HydrophobicContact CB-CG 3.91Å
102H98.2Very high97.5Very high107 Ų10736.9 Ų36.950%0.49519%0.186SC..Hα-helixtrans-74.8-46.8174.3-73.1-78.9000112.1K98 K99 L100 I104 N105K98-H102 PolarHBondContact O-CD2 2.64Å; K99-H102 PolarHBondContact O-N 3.16Å; K99-H102 VanDerWaalsContact O-N 3.14Å; L100-H102 PolarHBondContact O-N 3.04Å; H102-I104 PolarHBondContact O-N 2.81Å; H102-N105 PolarHBondContact O-N 2.92Å; H102-N105 VanDerWaalsContact O-N 3.07Å
103E98.3Very high97Very high96 Ų9636.6 Ų36.645%0.44918%0.184SC..Hα-helixtrans-54.7-40.3-178.4-75.1177177.200112.8R86 K99 L100R86-E103 IonicContact NH2-OE2 3.97Å; R86-E103 PolarHBondContact NH2-OE2 2.79Å; K99-E103 WeakPolarHBondContact CE-OE1 3.34Å; K99-E103 HydrophobicContact CG-CG 4.4Å; K99-E103 WeakPolarHBondContact CG-OE1 3.33Å; K99-E103 WeakPolarHBondContact O-CG 3.43Å; K99-E103 PolarHBondContact O-N 3.4Å; L100-E103 PolarHBondContact O-N 3.19Å; L100-E103 VanDerWaalsContact O-N 3.16Å
104I97.5Very high96.2Very high26 Ų2634.3 Ų34.313%0.13318%0.177CC..THydrogen-bonded Turntrans-97.83.2-178.676.4179.4000113.4L8 T36 L100 H102 A106L8-I104 HydrophobicContact CB-CD1 4.13Å; L8-I104 HydrophobicContact CD1-CD1 3.98Å; L8-I104 HydrophobicContact CD2-CD1 4.41Å; L8-I104 HydrophobicContact CG-CD1 4.4Å; T36-I104 HydrophobicContact CG2-CD1 3.89Å; L100-I104 HydrophobicContact CD1-CG2 3.84Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 3.5Å; H102-I104 PolarHBondContact O-N 2.81Å; I104-A106 VanDerWaalsContact C-N 3.29Å; I104-A106 HydrophobicContact CD1-CB 4.23Å; I104-A106 HydrophobicContact CG1-CB 3.94Å; I104-A106 PolarHBondContact O-N 3.5Å
105N97.8Very high95Very high121 Ų12132.7 Ų32.765%0.64717%0.169SC*.THydrogen-bonded Turntrans49.750-172.1-56-71.7000112.1N6 A101 H102 D107N6-N105 WeakPolarHBondContact CB-O 3.38Å; N6-N105 PolarHBondContact ND2-O 2.7Å; A101-N105 PolarHBondContact O-N 3.35Å; H102-N105 PolarHBondContact O-N 2.92Å; H102-N105 VanDerWaalsContact O-N 3.07Å; N105-D107 PolarHBondContact O-N 3.47Å
106A98.6Very high93.5Very high9 Ų936.1 Ų36.17%0.07419%0.187CC..  trans-60.9132.5178.500000109.9N6 L8 A101 I104 C137N6-A106 CarbonylContact O-C 3.57Å; N6-A106 VanDerWaalsContact O-CA 3.3Å; N6-A106 WeakPolarHBondContact O-CA 3.45Å; L8-A106 HydrophobicContact CB-CB 4.17Å; A101-A106 HydrophobicContact CB-CB 4.22Å; A101-A106 PolarHBondContact O-N 3.17Å; I104-A106 VanDerWaalsContact C-N 3.29Å; I104-A106 HydrophobicContact CD1-CB 4.23Å; I104-A106 HydrophobicContact CG1-CB 3.94Å; I104-A106 PolarHBondContact O-N 3.5Å; A106-C137 VanDerWaalsContact O-CB 3.3Å; A106-C137 WeakPolarHBondContact O-CB 3.41Å; A106-C137 PolarHBondContact O-SG 3.3Å
107D98.3Very high91.7Very high44 Ų4443.4 Ų43.424%0.23523%0.226CC..SBendtrans-107.7-8.1173.459.82.9000113Y4 K5 N6 N105Y4-D107 WeakPolarHBondContact CA-OD2 3.15Å; Y4-D107 HydrophobicContact CD1-CB 4.38Å; Y4-D107 WeakPolarHBondContact CD1-O 3.05Å; Y4-D107 WeakPolarHBondContact CE1-O 3.24Å; K5-D107 VanDerWaalsContact N-CG 3.29Å; K5-D107 PolarHBondContact N-OD1 3.26Å; K5-D107 VanDerWaalsContact N-OD1 3.08Å; K5-D107 PolarHBondContact N-OD2 3.1Å; N6-D107 PolarHBondContact N-OD1 2.98Å; N6-D107 PolarHBondContact O-N 3.07Å; N105-D107 PolarHBondContact O-N 3.47Å
108L98.7Very high89.9Confident3 Ų345.6 Ų45.62%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-143.5129.8166.7176.965.4000110.5Y4 N6 I7 L8 V27 M110 D138 L140Y4-L108 HydrophobicContact CD1-CB 3.66Å; Y4-L108 HydrophobicContact CD2-CB 4.24Å; Y4-L108 HydrophobicContact CD2-CD2 3.73Å; Y4-L108 HydrophobicContact CD2-CG 4.48Å; Y4-L108 HydrophobicContact CE1-CB 3.96Å; Y4-L108 HydrophobicContact CE1-CD1 4.41Å; Y4-L108 HydrophobicContact CE2-CD1 4.37Å; Y4-L108 HydrophobicContact CE2-CD2 3.89Å; Y4-L108 HydrophobicContact CE2-CG 4.49Å; Y4-L108 HydrophobicContact CG-CB 3.81Å; Y4-L108 HydrophobicContact CG-CD2 4.12Å; N6-L108 PolarHBondContact O-N 3.14Å; I7-L108 WeakPolarHBondContact CA-O 3.32Å; I7-L108 HydrophobicContact CG1-CB 4.31Å; I7-L108 HydrophobicContact CG1-CD2 4.28Å; I7-L108 HydrophobicContact CG2-CD2 4.21Å; I7-L108 HydrophobicContact CG2-CG 4.46Å; L8-L108 PolarHBondContact N-O 2.95Å; V27-L108 HydrophobicContact CG1-CD2 3.79Å; L108-M110 HydrophobicContact CD1-CG 4.48Å; L108-M110 HydrophobicContact CD2-CG 3.85Å; L108-M110 HydrophobicContact CD2-SD 3.85Å; L108-M110 HydrophobicContact CG-CG 3.9Å; L108-D138 WeakPolarHBondContact CA-O 3.36Å; L108-D138 HydrophobicContact CD1-CB 4.06Å; L108-L140 HydrophobicContact CD1-CB 4.03Å
109I98.7Very high88.1Confident0 Ų047.3 Ų47.30%026%0.263CS..EExtended strand (participates in β ladder)trans-106129.5165.9-49.2179.5000109.8L8 I96 A101 I131 A135 D138 V139 L140L8-I109 HydrophobicContact CB-CG1 4.36Å; L8-I109 HydrophobicContact CB-CG2 4.44Å; L8-I109 HydrophobicContact CD2-CD1 4.49Å; L8-I109 HydrophobicContact CD2-CG1 4.4Å; L8-I109 HydrophobicContact CD2-CG2 4.43Å; L8-I109 HydrophobicContact CG-CG2 4.41Å; L8-I109 CarbonylContact O-C 3.6Å; L8-I109 WeakPolarHBondContact O-CA 3.41Å; I96-I109 HydrophobicContact CG2-CG2 4.03Å; A101-I109 HydrophobicContact CB-CD1 3.62Å; A101-I109 HydrophobicContact CB-CG1 4.43Å; I109-I131 HydrophobicContact CB-CG2 3.93Å; I109-I131 HydrophobicContact CD1-CG2 4.19Å; I109-I131 HydrophobicContact CG2-CD1 4.3Å; I109-I131 HydrophobicContact CG2-CG2 3.59Å; I109-A135 HydrophobicContact CD1-CB 3.68Å; I109-D138 PolarHBondContact N-O 3.47Å; I109-V139 CarbonylContact O-C 3.51Å; I109-V139 WeakPolarHBondContact O-CA 3.22Å; I109-L140 PolarHBondContact O-N 2.77Å
110M98.5Very high86.4Confident0 Ų049.2 Ų49.20%027%0.274CS..EExtended strand (participates in β ladder)trans-113.5145.4175.9-59.9-168.25500110.7I7 L8 I9 A10 R23 A24 V27 L108 L140 V142I7-M110 HydrophobicContact CG2-CG 4.14Å; I7-M110 HydrophobicContact CG2-SD 4.03Å; L8-M110 PolarHBondContact O-N 3.48Å; I9-M110 WeakPolarHBondContact CA-O 3.43Å; I9-M110 HydrophobicContact CB-CB 4.38Å; I9-M110 HydrophobicContact CD1-CB 3.64Å; I9-M110 WeakPolarHBondContact CD1-O 3.38Å; A10-M110 PolarHBondContact N-O 3.09Å; R23-M110 HydrophobicContact CB-CE 4.11Å; A24-M110 VanDerWaalsContact CA-SD 3.57Å; A24-M110 HydrophobicContact CB-CB 4.47Å; A24-M110 HydrophobicContact CB-CE 3.86Å; A24-M110 HydrophobicContact CB-SD 3.62Å; V27-M110 HydrophobicContact CB-SD 4.07Å; V27-M110 HydrophobicContact CG1-SD 4.31Å; V27-M110 HydrophobicContact CG2-CE 4.01Å; V27-M110 HydrophobicContact CG2-SD 3.87Å; L108-M110 HydrophobicContact CD1-CG 4.48Å; L108-M110 HydrophobicContact CD2-CG 3.85Å; L108-M110 HydrophobicContact CD2-SD 3.85Å; L108-M110 HydrophobicContact CG-CG 3.9Å; M110-L140 WeakPolarHBondContact CA-O 3.46Å; M110-L140 HydrophobicContact CE-CD2 3.68Å; M110-L140 HydrophobicContact CE-CG 4.23Å; M110-L140 HydrophobicContact CG-CB 4.21Å; M110-L140 HydrophobicContact SD-CD2 4.29Å; M110-V142 HydrophobicContact CE-CG2 3.9Å
111S97Very high84.6Confident3 Ų357 Ų572%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-156.7161.4174.9560000110.5S128 L140 V141 V142S111-S128 PolarHBondContact OG-OG 3.32Å; S111-L140 PolarHBondContact N-O 3.04Å; S111-V141 WeakPolarHBondContact O-CA 3.19Å; S111-V142 PolarHBondContact O-N 3.04Å
112G93.1Very high82.9Confident6 Ų665.9 Ų65.96%0.06234%0.342CS..EExtended strand (participates in β ladder)trans-74.1167.6166.100000111.9S128G112-S128 PolarHBondContact O-OG 2.63Å
113T85.9Confident81.5Confident13 Ų1364.7 Ų64.78%0.0834%0.338CS..SBendtrans-72.7-33.3171.239.30000113.1G125 V141 V142 R143T113-G125 WeakPolarHBondContact O-CA 3.48Å; T113-G125 PolarHBondContact O-N 3.23Å; T113-V141 HydrophobicContact CG2-CG1 3.58Å; T113-V142 PolarHBondContact N-O 2.94Å; T113-V142 VanDerWaalsContact N-O 3.16Å; T113-R143 HydrophobicContact CG2-CB 3.83Å; T113-R143 HydrophobicContact CG2-CG 3.98Å
114S78.1Confident80.5Confident26 Ų2662.5 Ų62.518%0.18233%0.331CS..  trans-131.2155.7-173.7290000109.4
115G70.2Confident79.9Confident22 Ų2262 Ų6223%0.22733%0.332CS..  trans-121.7-162.4171.200000110.3D12 N117 A118D12-G115 WeakPolarHBondContact OD2-CA 3.44Å; G115-N117 PolarHBondContact O-N 2.79Å; G115-A118 PolarHBondContact O-N 3.21Å
116L65.4Low79.5Confident87 Ų8759 Ų5946%0.45532%0.32SS..THydrogen-bonded Turntrans-54.9-21.1-175.3-66.8171.5000116.1D12D12-L116 WeakPolarHBondContact O-CD1 2.96Å; D12-L116 PolarHBondContact OD2-N 3.41Å; D12-L116 VanDerWaalsContact OD2-N 3.1Å
117N61Low79.3Confident157 Ų15760.5 Ų60.584%0.8433%0.329SS*.THydrogen-bonded Turntrans-109.67.3-172.3-63.5-32.3000114.9G115G115-N117 PolarHBondContact O-N 2.79Å
118A59.7Low79.1Confident46 Ų4658.9 Ų58.938%0.3832%0.321SS..  trans-85.9122.9-175.900000111.8G115G115-A118 PolarHBondContact O-N 3.21Å
119V60.3Low78.9Confident142 Ų14263.7 Ų63.786%0.86134%0.343SS*.  trans-103.6-15.6-179-170.10000112
120E62.5Low78.8Confident124 Ų12464.3 Ų64.358%0.57935%0.348SS*.  trans-120.8135.5-170.1-63.8-173.4-175.500113.9F122 I123E120-F122 VanDerWaalsContact C-N 3.25Å; E120-F122 PolarHBondContact O-N 3.16Å; E120-I123 HydrophobicContact CB-CB 4.46Å; E120-I123 HydrophobicContact CB-CD1 3.86Å; E120-I123 HydrophobicContact CB-CG1 3.92Å; E120-I123 HydrophobicContact CG-CD1 4.17Å; E120-I123 PolarHBondContact O-N 2.98Å; E120-I123 WeakPolarHBondContact OE2-CD1 3.34Å
121R61.5Low78.7Confident164 Ų16464.3 Ų64.362%0.61935%0.348SS*.THydrogen-bonded Turntrans-67.6-15.2-176.8-63.9-176.7179.6-145.8-5.9115.1R143 E146R121-R143 PolarHBondContact O-NH2 3.03Å; R121-R143 VanDerWaalsContact O-NH2 3.1Å; R121-E146 IonicContact CZ-OE1 2.88Å; R121-E146 VanDerWaalsContact CZ-OE1 3.23Å; R121-E146 IonicContact NH1-OE1 3.81Å; R121-E146 PolarHBondContact NH1-OE1 2.93Å; R121-E146 IonicContact NH2-OE1 2.77Å; R121-E146 PolarHBondContact NH2-OE1 3.33Å
122F62.5Low78.7Confident187 Ų18768.4 Ų68.482%0.8237%0.372SS*.THydrogen-bonded Turntrans-107.2-0.9-177.1-66.1-72.7000114E120E120-F122 VanDerWaalsContact C-N 3.25Å; E120-F122 PolarHBondContact O-N 3.16Å
123I69.1Low78.9Confident83 Ų8378 Ų7843%0.42641%0.407SS..PPolyproline II helixtrans-94.1122.4-178.8-64.2-175.5000109.8E120E120-I123 HydrophobicContact CB-CB 4.46Å; E120-I123 HydrophobicContact CB-CD1 3.86Å; E120-I123 HydrophobicContact CB-CG1 3.92Å; E120-I123 HydrophobicContact CG-CD1 4.17Å; E120-I123 PolarHBondContact O-N 2.98Å; E120-I123 WeakPolarHBondContact OE2-CD1 3.34Å
124V76.5Confident79.5Confident50 Ų5080.6 Ų80.630%0.30342%0.418SS..PPolyproline II helixtrans-75.6123.8160.1179.90000106.9E129V124-E129 HydrophobicContact CB-CG 3.93Å; V124-E129 HydrophobicContact CG1-CG 3.82Å; V124-E129 WeakPolarHBondContact O-CG 3.47Å
125G85.2Confident80.5Confident14 Ų1480.5 Ų80.514%0.14442%0.418CS..PPolyproline II helixtrans-56141.1-178.300000110.8T113 V127 S128 E129T113-G125 WeakPolarHBondContact O-CA 3.48Å; T113-G125 PolarHBondContact O-N 3.23Å; G125-V127 PolarHBondContact O-N 3.02Å; G125-S128 PolarHBondContact O-N 3.24Å; G125-E129 PolarHBondContact O-N 3.14Å
126S89.8Confident81.8Confident58 Ų5882.5 Ų82.541%0.40643%0.428SS..Hα-helixtrans-61.3-17.5-171.470.30000115K93 S130K93-S126 VanDerWaalsContact CE-CB 3.46Å; K93-S126 WeakPolarHBondContact CE-O 3.23Å; K93-S126 WeakPolarHBondContact CE-OG 3.47Å; K93-S126 PolarHBondContact NZ-OG 3.05Å; S126-S130 WeakPolarHBondContact O-CB 3.45Å; S126-S130 PolarHBondContact O-N 3.5Å
127V93.9Very high83.3Confident42 Ų4279.9 Ų79.926%0.25542%0.416SS..Hα-helixtrans-73.7-51.6169.9177.50000110.4P92 K93 I96 G125 E129 S130 I131P92-V127 HydrophobicContact CB-CG1 4.07Å; P92-V127 HydrophobicContact CB-CG2 3.98Å; P92-V127 HydrophobicContact CG-CG2 3.78Å; K93-V127 HydrophobicContact CG-CG2 4.33Å; I96-V127 HydrophobicContact CD1-CG1 3.93Å; G125-V127 PolarHBondContact O-N 3.02Å; V127-E129 VanDerWaalsContact C-N 3.33Å; V127-E129 PolarHBondContact O-N 2.98Å; V127-S130 CarbonylContact O-C 3.53Å; V127-S130 WeakPolarHBondContact O-CA 3.42Å; V127-S130 WeakPolarHBondContact O-CB 3.28Å; V127-S130 PolarHBondContact O-N 3.2Å; V127-I131 HydrophobicContact CG1-CD1 4.05Å; V127-I131 WeakPolarHBondContact O-CG1 3.43Å; V127-I131 PolarHBondContact O-N 3.43Å
128S94.1Very high85.1Confident9 Ų976.6 Ų76.66%0.06340%0.399CS..Hα-helixtrans-62-39.2178.6-48.20000111.8S111 G112 G125 S130 I131 V132S111-S128 PolarHBondContact OG-OG 3.32Å; G112-S128 PolarHBondContact O-OG 2.63Å; G125-S128 PolarHBondContact O-N 3.24Å; S128-S130 VanDerWaalsContact C-N 3.32Å; S128-S130 PolarHBondContact O-N 3.4Å; S128-I131 PolarHBondContact O-N 2.92Å; S128-V132 WeakPolarHBondContact O-CG2 3.25Å; S128-V132 PolarHBondContact O-N 2.86Å
129E93.5Very high87Confident105 Ų10576.6 Ų76.649%0.49139%0.394SS..Hα-helixtrans-59-43.3170.4-69-174.5152.500112.1V124 G125 V127 I131 V132 R133V124-E129 HydrophobicContact CB-CG 3.93Å; V124-E129 HydrophobicContact CG1-CG 3.82Å; V124-E129 WeakPolarHBondContact O-CG 3.47Å; G125-E129 PolarHBondContact O-N 3.14Å; V127-E129 VanDerWaalsContact C-N 3.33Å; V127-E129 PolarHBondContact O-N 2.98Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 PolarHBondContact O-N 3.34Å; E129-V132 PolarHBondContact O-N 3.03Å; E129-R133 VanDerWaalsContact O-CB 3.28Å; E129-R133 WeakPolarHBondContact O-CB 3.39Å; E129-R133 PolarHBondContact O-N 3.26Å
130S96.2Very high88.7Confident13 Ų1373.2 Ų73.29%0.09137%0.37CS..Hα-helixtrans-66.9-36178-166.40000112.1K93 S126 V127 S128 R133 H134K93-S130 WeakPolarHBondContact CB-OG 3.47Å; K93-S130 PolarHBondContact O-OG 2.91Å; S126-S130 WeakPolarHBondContact O-CB 3.45Å; S126-S130 PolarHBondContact O-N 3.5Å; V127-S130 CarbonylContact O-C 3.53Å; V127-S130 WeakPolarHBondContact O-CA 3.42Å; V127-S130 WeakPolarHBondContact O-CB 3.28Å; V127-S130 PolarHBondContact O-N 3.2Å; S128-S130 VanDerWaalsContact C-N 3.32Å; S128-S130 PolarHBondContact O-N 3.4Å; S130-R133 PolarHBondContact O-N 2.93Å; S130-H134 WeakPolarHBondContact O-CB 3.37Å; S130-H134 PolarHBondContact O-N 3.42Å; S130-H134 VanDerWaalsContact O-N 3.08Å; S130-H134 PolarHBondContact O-ND1 3.48Å; S130-H134 PolarHBondContact OG-ND1 3.27Å
131I97.9Very high90.3Very high0 Ų069.1 Ų69.10%035%0.354CS..Hα-helixtrans-62.3-54.9173.8-66.9167.9000109.3A10 I96 I109 V127 S128 E129 R133 H134 A135 V139A10-I131 HydrophobicContact CB-CD1 4.47Å; I96-I131 HydrophobicContact CB-CD1 4.45Å; I96-I131 HydrophobicContact CB-CG1 4.35Å; I96-I131 HydrophobicContact CD1-CD1 4.36Å; I96-I131 HydrophobicContact CG2-CD1 3.75Å; I96-I131 HydrophobicContact CG2-CG1 3.84Å; I109-I131 HydrophobicContact CB-CG2 3.93Å; I109-I131 HydrophobicContact CD1-CG2 4.19Å; I109-I131 HydrophobicContact CG2-CD1 4.3Å; I109-I131 HydrophobicContact CG2-CG2 3.59Å; V127-I131 HydrophobicContact CG1-CD1 4.05Å; V127-I131 WeakPolarHBondContact O-CG1 3.43Å; V127-I131 PolarHBondContact O-N 3.43Å; S128-I131 PolarHBondContact O-N 2.92Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 PolarHBondContact O-N 3.34Å; I131-R133 PolarHBondContact O-N 2.71Å; I131-H134 PolarHBondContact O-N 3.25Å; I131-A135 HydrophobicContact CG2-CB 4.4Å; I131-A135 WeakPolarHBondContact O-CB 3.26Å; I131-A135 PolarHBondContact O-N 2.87Å; I131-V139 HydrophobicContact CG2-CG1 3.7Å; I131-V139 HydrophobicContact CG2-CG2 3.93Å
132V97Very high91.9Very high89 Ų8962 Ų6254%0.53933%0.328SS..Hα-helixtrans-54.6-39.8178.61710000111.7S128 E129 V139 V141S128-V132 WeakPolarHBondContact O-CG2 3.25Å; S128-V132 PolarHBondContact O-N 2.86Å; E129-V132 PolarHBondContact O-N 3.03Å; V132-V139 HydrophobicContact CG2-CB 4.48Å; V132-V139 HydrophobicContact CG2-CG1 3.8Å; V132-V141 HydrophobicContact CG2-CG2 3.6Å
133R97.5Very high93Very high206 Ų20658.8 Ų58.878%0.77731%0.311SS*.Hα-helixtrans-75.9-30.1-176.3-173.1174.8-179.51022.4114.3E129 S130 I131E129-R133 VanDerWaalsContact O-CB 3.28Å; E129-R133 WeakPolarHBondContact O-CB 3.39Å; E129-R133 PolarHBondContact O-N 3.26Å; S130-R133 PolarHBondContact O-N 2.93Å; I131-R133 PolarHBondContact O-N 2.71Å
134H98.1Very high93.5Very high69 Ų6955.8 Ų55.832%0.31930%0.297SS..Hα-helixtrans-126.4-5.5-166.3-53.8107.4000115P97 K98 S130 I131P97-H134 HydrophobicContact CB-CB 3.97Å; P97-H134 HydrophobicContact CG-CB 4.13Å; K98-H134 HydrophobicContact CG-CB 4.27Å; S130-H134 WeakPolarHBondContact O-CB 3.37Å; S130-H134 PolarHBondContact O-N 3.42Å; S130-H134 VanDerWaalsContact O-N 3.08Å; S130-H134 PolarHBondContact O-ND1 3.48Å; S130-H134 PolarHBondContact OG-ND1 3.27Å; I131-H134 PolarHBondContact O-N 3.25Å
135A98.3Very high93.2Very high23 Ų2360.1 Ų60.119%0.1931%0.314CS..  trans-60.7141.117900000111.1P97 I109 I131 C137 V139P97-A135 HydrophobicContact CB-CB 4.48Å; I109-A135 HydrophobicContact CD1-CB 3.68Å; I131-A135 HydrophobicContact CG2-CB 4.4Å; I131-A135 WeakPolarHBondContact O-CB 3.26Å; I131-A135 PolarHBondContact O-N 2.87Å; A135-C137 PolarHBondContact O-N 2.88Å; A135-V139 HydrophobicContact CB-CG2 3.41Å; A135-V139 VanDerWaalsContact CB-CG2 3.41Å
136P97.7Very high92.8Very high65 Ų6565.6 Ų65.642%0.42234%0.335SS..SBendtrans-80.6-0.4175.634.4-37000113.1P97 A101P97-P136 WeakPolarHBondContact O-CD 3.35Å; A101-P136 HydrophobicContact CB-CG 3.91Å
137C98Very high92.6Very high31 Ų3165 Ų6521%0.20933%0.327CS..SBendtrans-144.7-177.6-171.559.80000111.5A106 A135A106-C137 VanDerWaalsContact O-CB 3.3Å; A106-C137 WeakPolarHBondContact O-CB 3.41Å; A106-C137 PolarHBondContact O-SG 3.3Å; A135-C137 PolarHBondContact O-N 2.88Å
138D98.4Very high92.2Very high89 Ų8965 Ų6548%0.47633%0.328SS..EExtended strand (participates in β ladder)trans-58.9147179.1-73.6-14.3000111.4Y4 L108 I109Y4-D138 HydrophobicContact CE1-CB 3.97Å; Y4-D138 WeakPolarHBondContact CE1-OD2 3.47Å; Y4-D138 PolarHBondContact OH-OD2 2.9Å; L108-D138 WeakPolarHBondContact CA-O 3.36Å; L108-D138 HydrophobicContact CD1-CB 4.06Å; I109-D138 PolarHBondContact N-O 3.47Å
139V98.2Very high91.8Very high46 Ų4669.6 Ų69.628%0.27937%0.367SS..EExtended strand (participates in β ladder)trans-126.4132179.1-178.10000109.8I109 I131 V132 A135 V141I109-V139 CarbonylContact O-C 3.51Å; I109-V139 WeakPolarHBondContact O-CA 3.22Å; I131-V139 HydrophobicContact CG2-CG1 3.7Å; I131-V139 HydrophobicContact CG2-CG2 3.93Å; V132-V139 HydrophobicContact CG2-CB 4.48Å; V132-V139 HydrophobicContact CG2-CG1 3.8Å; A135-V139 HydrophobicContact CB-CG2 3.41Å; A135-V139 VanDerWaalsContact CB-CG2 3.41Å; V139-V141 HydrophobicContact CG1-CG2 4.04Å
140L97.2Very high91.6Very high70 Ų7071.1 Ų71.137%0.36638%0.378SS..EExtended strand (participates in β ladder)trans-119.6103.9170.9177.259000110.1L108 I109 M110 S111 V142L108-L140 HydrophobicContact CD1-CB 4.03Å; I109-L140 PolarHBondContact O-N 2.77Å; M110-L140 WeakPolarHBondContact CA-O 3.46Å; M110-L140 HydrophobicContact CE-CD2 3.68Å; M110-L140 HydrophobicContact CE-CG 4.23Å; M110-L140 HydrophobicContact CG-CB 4.21Å; M110-L140 HydrophobicContact SD-CD2 4.29Å; S111-L140 PolarHBondContact N-O 3.04Å; L140-V142 HydrophobicContact CG-CG2 4.47Å
141V95.6Very high91.4Very high38 Ų3871.7 Ų71.723%0.2338%0.379CS..EExtended strand (participates in β ladder)trans-85.8113.9170.7-176.10000108.5S111 T113 V132 V139 R143S111-V141 WeakPolarHBondContact O-CA 3.19Å; T113-V141 HydrophobicContact CG2-CG1 3.58Å; V132-V141 HydrophobicContact CG2-CG2 3.6Å; V139-V141 HydrophobicContact CG1-CG2 4.04Å; V141-R143 PolarHBondContact O-N 2.87Å
142V94.1Very high91.1Very high15 Ų1578.3 Ų78.39%0.09141%0.41CS..EExtended strand (participates in β ladder)trans-80.6106.6178.6-176.60000108.4A20 R23 M110 S111 T113 L140A20-V142 HydrophobicContact CB-CB 3.76Å; A20-V142 HydrophobicContact CB-CG1 4.36Å; A20-V142 HydrophobicContact CB-CG2 3.9Å; R23-V142 HydrophobicContact CB-CG2 4.17Å; R23-V142 HydrophobicContact CG-CG1 3.91Å; R23-V142 HydrophobicContact CG-CG2 4.42Å; M110-V142 HydrophobicContact CE-CG2 3.9Å; S111-V142 PolarHBondContact O-N 3.04Å; T113-V142 PolarHBondContact N-O 2.94Å; T113-V142 VanDerWaalsContact N-O 3.16Å; L140-V142 HydrophobicContact CG-CG2 4.47Å
143R86.7Confident91Very high120 Ų12075.1 Ų75.145%0.45339%0.391SS..  trans-82.4135.8177.7-173.2170-140.7-87.5-10.9111.3T113 R121 V141 E145T113-R143 HydrophobicContact CG2-CB 3.83Å; T113-R143 HydrophobicContact CG2-CG 3.98Å; R121-R143 PolarHBondContact O-NH2 3.03Å; R121-R143 VanDerWaalsContact O-NH2 3.1Å; V141-R143 PolarHBondContact O-N 2.87Å; R143-E145 IonicContact NH1-OE1 3.68Å; R143-E145 PolarHBondContact NH1-OE1 3.42Å
144T78.5Confident90.9Very high20 Ų2071.5 Ų71.512%0.12338%0.383CS..  trans-137.9110.9173.4-49.60000108W19 E146 L147W19-T144 PolarHBondContact NE1-OG1 3.46Å; T144-E146 VanDerWaalsContact CG2-C 3.45Å; T144-E146 VanDerWaalsContact CG2-O 3.22Å; T144-E146 WeakPolarHBondContact CG2-O 3.17Å; T144-L147 HydrophobicContact CG2-CB 4.41Å; T144-L147 HydrophobicContact CG2-CD2 3.81Å; T144-L147 HydrophobicContact CG2-CG 3.99Å
145E72Confident90.9Very high141 Ų14168.7 Ų68.766%0.65937%0.371SS*.SBendtrans-73.1-44.3176-73.1178.5-171.600111.2R143R143-E145 IonicContact NH1-OE1 3.68Å; R143-E145 PolarHBondContact NH1-OE1 3.42Å
146E76.7Confident90.6Very high128 Ų12867.6 Ų67.660%0.59836%0.362SS*.SBendtrans-139.7134.3169.4-67.1-178.1173.900106.3R121 T144R121-E146 IonicContact CZ-OE1 2.88Å; R121-E146 VanDerWaalsContact CZ-OE1 3.23Å; R121-E146 IonicContact NH1-OE1 3.81Å; R121-E146 PolarHBondContact NH1-OE1 2.93Å; R121-E146 IonicContact NH2-OE1 2.77Å; R121-E146 PolarHBondContact NH2-OE1 3.33Å; T144-E146 VanDerWaalsContact CG2-C 3.45Å; T144-E146 VanDerWaalsContact CG2-O 3.22Å; T144-E146 WeakPolarHBondContact CG2-O 3.17Å
147L84.2Confident90.4Very high45 Ų4566.1 Ų66.124%0.23635%0.351CS..  trans-60138.6172.2-73.5159.8000107.8H15 W19 T144 A149 F151H15-L147 HydrophobicContact CB-CD1 3.4Å; H15-L147 VanDerWaalsContact CB-CD1 3.4Å; W19-L147 HydrophobicContact CB-CD2 3.71Å; W19-L147 HydrophobicContact CD2-CD2 4.4Å; W19-L147 HydrophobicContact CG-CD2 3.99Å; T144-L147 HydrophobicContact CG2-CB 4.41Å; T144-L147 HydrophobicContact CG2-CD2 3.81Å; T144-L147 HydrophobicContact CG2-CG 3.99Å; L147-A149 PolarHBondContact O-N 3.37Å; L147-F151 HydrophobicContact CB-CD1 4.14Å; L147-F151 HydrophobicContact CD1-CD1 4.21Å; L147-F151 HydrophobicContact CD1-CE1 4.36Å; L147-F151 HydrophobicContact CD2-CD1 3.68Å; L147-F151 HydrophobicContact CD2-CE1 3.87Å; L147-F151 HydrophobicContact CD2-CG 4.46Å; L147-F151 HydrophobicContact CG-CD1 4.23Å
148P85.6Confident90.1Very high43 Ų4367.2 Ų67.228%0.27936%0.357SS..  trans-52.2140.5177.1-27.436.1000111W19 D150 F151W19-P148 HydrophobicContact CH2-CG 3.42Å; W19-P148 VanDerWaalsContact CH2-CG 3.42Å; W19-P148 HydrophobicContact CZ2-CG 3.75Å; W19-P148 HydrophobicContact CZ3-CG 3.83Å; P148-D150 WeakPolarHBondContact CB-OD1 3.37Å; P148-D150 PolarHBondContact O-N 2.87Å; P148-D150 VanDerWaalsContact O-N 3.1Å; P148-F151 HydrophobicContact CB-CB 4.18Å; P148-F151 HydrophobicContact CG-CB 4.48Å; P148-F151 WeakPolarHBondContact O-CB 3.46Å; P148-F151 PolarHBondContact O-N 3.22Å
149A86.6Confident89.7Confident106 Ų10669.4 Ų69.488%0.87637%0.365SS*.THydrogen-bonded Turntrans-60.7-25-175.700000113.1L147L147-A149 PolarHBondContact O-N 3.37Å
150D89.6Confident89.4Confident136 Ų13668.2 Ų68.273%0.72736%0.357SS*.THydrogen-bonded Turntrans-91.5-2.7176.464.7-26.3000113.4P148 Q152P148-D150 WeakPolarHBondContact CB-OD1 3.37Å; P148-D150 PolarHBondContact O-N 2.87Å; P148-D150 VanDerWaalsContact O-N 3.1Å; D150-Q152 PolarHBondContact O-N 3.45Å
151F91.6Very high88.9Confident25 Ų2567.5 Ų67.511%0.1135%0.349CS..  trans-70.6118.5175.7175.5-112.7000110.4H15 E18 W19 N22 L147 P148 P153H15-F151 HydrophobicContact CB-CE1 4.15Å; E18-F151 HydrophobicContact CB-CZ 4.16Å; E18-F151 HydrophobicContact CG-CE2 4.47Å; E18-F151 HydrophobicContact CG-CZ 3.93Å; W19-F151 HydrophobicContact CB-CZ 4.4Å; W19-F151 HydrophobicContact CE3-CB 4.44Å; W19-F151 AromaticContact CE3-CD2 3.55Å; W19-F151 HydrophobicContact CE3-CD2 3.55Å; W19-F151 AromaticContact CE3-CE2 3.92Å; W19-F151 HydrophobicContact CE3-CE2 3.92Å; W19-F151 AromaticContact CE3-CG 3.92Å; W19-F151 HydrophobicContact CE3-CG 3.92Å; W19-F151 HydrophobicContact CZ3-CB 4.37Å; W19-F151 AromaticContact CZ3-CD2 3.88Å; W19-F151 HydrophobicContact CZ3-CD2 3.88Å; W19-F151 HydrophobicContact CZ3-CG 4.27Å; N22-F151 WeakPolarHBondContact ND2-CE2 3.2Å; L147-F151 HydrophobicContact CB-CD1 4.14Å; L147-F151 HydrophobicContact CD1-CD1 4.21Å; L147-F151 HydrophobicContact CD1-CE1 4.36Å; L147-F151 HydrophobicContact CD2-CD1 3.68Å; L147-F151 HydrophobicContact CD2-CE1 3.87Å; L147-F151 HydrophobicContact CD2-CG 4.46Å; L147-F151 HydrophobicContact CG-CD1 4.23Å; P148-F151 HydrophobicContact CB-CB 4.18Å; P148-F151 HydrophobicContact CG-CB 4.48Å; P148-F151 WeakPolarHBondContact O-CB 3.46Å; P148-F151 PolarHBondContact O-N 3.22Å; F151-P153 HydrophobicContact CZ-CB 4.38Å
152Q92.6Very high88.6Confident140 Ų14070.4 Ų70.465%0.65436%0.36SS*.  trans-116.3121.5171.8-61-58.9-51.100108.4D150 Q154D150-Q152 PolarHBondContact O-N 3.45Å; Q152-Q154 PolarHBondContact O-N 2.88Å
153P93.6Very high88.3Confident22 Ų2275.2 Ų75.214%0.14338%0.38CS..  trans-63.7129.717428.6-34.7000109.1E18 F151 T157E18-P153 WeakPolarHBondContact OE1-CA 3.44Å; E18-P153 VanDerWaalsContact OE2-CB 3.3Å; E18-P153 WeakPolarHBondContact OE2-CB 3.33Å; F151-P153 HydrophobicContact CZ-CB 4.38Å; P153-T157 WeakPolarHBondContact O-CG2 2.87Å
154Q96Very high88.3Confident130 Ų13071.5 Ų71.561%0.60737%0.366SS*.SBendtrans-86.9-28.6173.3-68.4173.284.100111.2E18 V74 Q152E18-Q154 PolarHBondContact OE1-N 3.32Å; V74-Q154 HydrophobicContact CG2-CB 4.25Å; Q152-Q154 PolarHBondContact O-N 2.88Å
155V96.8Very high88Confident10 Ų1077.4 Ų77.46%0.06139%0.392CS..SBendtrans-114.1-62.3-173.2-177.90000111.1E18 L67 G70 Y71 V74 T157 L160E18-V155 PolarHBondContact OE1-N 3.01Å; E18-V155 VanDerWaalsContact OE1-N 3.1Å; E18-V155 PolarHBondContact OE2-N 3.36Å; L67-V155 HydrophobicContact CD2-CG1 3.95Å; L67-V155 WeakPolarHBondContact O-CG1 3.36Å; G70-V155 VanDerWaalsContact C-CG2 3.48Å; Y71-V155 HydrophobicContact CD1-CB 3.8Å; Y71-V155 HydrophobicContact CD1-CG1 3.95Å; Y71-V155 HydrophobicContact CD1-CG2 3.66Å; Y71-V155 HydrophobicContact CD2-CG1 4.05Å; Y71-V155 HydrophobicContact CE1-CB 3.57Å; Y71-V155 HydrophobicContact CE1-CG1 3.88Å; Y71-V155 HydrophobicContact CE1-CG2 3.9Å; Y71-V155 HydrophobicContact CE2-CG1 4.02Å; Y71-V155 HydrophobicContact CG-CB 4.38Å; Y71-V155 HydrophobicContact CG-CG1 4.01Å; Y71-V155 HydrophobicContact CG-CG2 4.29Å; V74-V155 HydrophobicContact CG2-CG2 3.8Å; V155-T157 PolarHBondContact O-N 3.43Å; V155-L160 WeakPolarHBondContact O-CD2 3.44Å
156A93.7Very high87.4Confident0 Ų078.1 Ų78.10%040%0.401CS..SBendtrans-7749.3179.100000111.9G13 H15 E18 L67 Y71G13-A156 WeakPolarHBondContact O-CB 3.46Å; H15-A156 PolarHBondContact CD2-O 3.43Å; H15-A156 PolarHBondContact NE2-O 2.78Å; E18-A156 HydrophobicContact CB-CB 4.42Å; E18-A156 WeakPolarHBondContact OE2-CA 3.25Å; E18-A156 VanDerWaalsContact OE2-CB 3.31Å; E18-A156 WeakPolarHBondContact OE2-CB 3.42Å; E18-A156 PolarHBondContact OE2-N 3.4Å; L67-A156 HydrophobicContact CD2-CB 4.08Å; Y71-A156 WeakPolarHBondContact OH-CB 3.44Å
157T93.7Very high87.9Confident33 Ų3375.6 Ų75.620%0.20239%0.391CS..  trans-63.3155177.462.90000111.2P153 V155 Q159 L160 R161P153-T157 WeakPolarHBondContact O-CG2 2.87Å; V155-T157 PolarHBondContact O-N 3.43Å; T157-Q159 PolarHBondContact O-N 3.45Å; T157-L160 PolarHBondContact O-N 2.9Å; T157-L160 VanDerWaalsContact OG1-CB 3.32Å; T157-L160 WeakPolarHBondContact OG1-CB 3.24Å; T157-L160 PolarHBondContact OG1-N 2.66Å; T157-L160 VanDerWaalsContact OG1-N 3.09Å; T157-R161 PolarHBondContact O-N 3.11Å; T157-R161 VanDerWaalsContact O-N 3.14Å
158T89.7Confident88.1Confident54 Ų5477.2 Ų77.233%0.33140%0.399SS..Hα-helixtrans-58.4-39.4172.8-590000111.3L160 R161 E162T158-L160 PolarHBondContact O-N 2.91Å; T158-R161 PolarHBondContact O-N 3.11Å; T158-R161 PolarHBondContact OG1-NH2 3.3Å; T158-E162 HydrophobicContact CG2-CG 4.21Å; T158-E162 WeakPolarHBondContact CG2-OE1 3.47Å; T158-E162 WeakPolarHBondContact O-CB 3.44Å; T158-E162 WeakPolarHBondContact O-CG 3.06Å; T158-E162 PolarHBondContact O-N 2.77Å
159Q91.1Very high88.3Confident135 Ų13579.1 Ų79.163%0.63141%0.406SS*.Hα-helixtrans-61.8-43177.8-63.880.32.600112.2T157 R161 E162 K163T157-Q159 PolarHBondContact O-N 3.45Å; Q159-R161 VanDerWaalsContact C-N 3.33Å; Q159-R161 PolarHBondContact O-N 3.36Å; Q159-E162 PolarHBondContact O-N 3.46Å; Q159-K163 WeakPolarHBondContact O-CB 3.45Å; Q159-K163 PolarHBondContact O-N 3.43Å
160L91.5Very high88.4Confident22 Ų2277.5 Ų77.512%0.11538%0.378CS..Hα-helixtrans-62.7-42.3176.6-178.365.7000110.9F63 E66 L67 V155 T157 T158 K163 Y164F63-L160 HydrophobicContact CD2-CG 4.2Å; F63-L160 HydrophobicContact CE2-CD2 4.27Å; F63-L160 HydrophobicContact CE2-CG 4.02Å; E66-L160 HydrophobicContact CB-CD1 4.05Å; E66-L160 WeakPolarHBondContact OE2-CD1 3.25Å; L67-L160 HydrophobicContact CD2-CD2 3.65Å; L67-L160 HydrophobicContact CG-CD2 4.13Å; V155-L160 WeakPolarHBondContact O-CD2 3.44Å; T157-L160 PolarHBondContact O-N 2.9Å; T157-L160 VanDerWaalsContact OG1-CB 3.32Å; T157-L160 WeakPolarHBondContact OG1-CB 3.24Å; T157-L160 PolarHBondContact OG1-N 2.66Å; T157-L160 VanDerWaalsContact OG1-N 3.09Å; T158-L160 PolarHBondContact O-N 2.91Å; L160-K163 PolarHBondContact O-N 3.21Å; L160-Y164 HydrophobicContact CD1-CD2 4.3Å; L160-Y164 HydrophobicContact CD1-CE2 3.89Å; L160-Y164 WeakPolarHBondContact O-CD2 3.43Å
161R87.7Confident88.3Confident54 Ų5473.9 Ų73.920%0.20436%0.356CS..Hα-helixtrans-65.3-46.6178-66.8-175.7-64.9176.42.3111.9G13 H15 F63 T157 T158 Q159 K163 Y164 Q165G13-R161 WeakPolarHBondContact O-CD 3.39Å; H15-R161 PolarHBondContact CE1-NH2 3.13Å; H15-R161 PolarHBondContact NE2-NH2 3.1Å; F63-R161 HydrophobicContact CE2-CG 4.16Å; F63-R161 HydrophobicContact CZ-CG 4.19Å; T157-R161 PolarHBondContact O-N 3.11Å; T157-R161 VanDerWaalsContact O-N 3.14Å; T158-R161 PolarHBondContact O-N 3.11Å; T158-R161 PolarHBondContact OG1-NH2 3.3Å; Q159-R161 VanDerWaalsContact C-N 3.33Å; Q159-R161 PolarHBondContact O-N 3.36Å; R161-K163 VanDerWaalsContact C-N 3.27Å; R161-K163 PolarHBondContact O-N 3.08Å; R161-Y164 PolarHBondContact O-N 3.42Å; R161-Y164 VanDerWaalsContact O-N 3.16Å; R161-Q165 WeakPolarHBondContact O-CG 2.91Å; R161-Q165 PolarHBondContact O-N 3.18Å; R161-Q165 VanDerWaalsContact O-N 3.07Å
162E88.9Confident88.1Confident100 Ų10077.1 Ų77.147%0.46737%0.373SS..Hα-helixtrans-62.6-33.4179.9-73.8174.2174.800112.7T158 Q159 Y164 N166T158-E162 HydrophobicContact CG2-CG 4.21Å; T158-E162 WeakPolarHBondContact CG2-OE1 3.47Å; T158-E162 WeakPolarHBondContact O-CB 3.44Å; T158-E162 WeakPolarHBondContact O-CG 3.06Å; T158-E162 PolarHBondContact O-N 2.77Å; Q159-E162 PolarHBondContact O-N 3.46Å; E162-Y164 PolarHBondContact O-N 2.98Å; E162-N166 PolarHBondContact O-ND2 3.29Å
163K88.4Confident87.8Confident116 Ų11672.6 Ų72.650%0.50435%0.352SS..Hα-helixtrans-59-29.9175.8178-179166.3-165.50113.2E66 Q159 L160 R161E66-K163 IonicContact OE1-NZ 2.79Å; E66-K163 PolarHBondContact OE1-NZ 3.43Å; E66-K163 IonicContact OE2-NZ 2.82Å; E66-K163 PolarHBondContact OE2-NZ 2.89Å; Q159-K163 WeakPolarHBondContact O-CB 3.45Å; Q159-K163 PolarHBondContact O-N 3.43Å; L160-K163 PolarHBondContact O-N 3.21Å; R161-K163 VanDerWaalsContact C-N 3.27Å; R161-K163 PolarHBondContact O-N 3.08Å
164Y85Confident87.3Confident41 Ų4176.5 Ų76.516%0.16137%0.369CS..Hα-helixtrans-112.9-5.8-176.1-67.9-79.2000114.5K59 H62 F63 E66 L160 R161 E162K59-Y164 HydrophobicContact CB-CD1 4.33Å; K59-Y164 WeakPolarHBondContact O-CD1 3.2Å; H62-Y164 HydrophobicContact CB-CD1 4.37Å; H62-Y164 HydrophobicContact CB-CE1 3.45Å; H62-Y164 VanDerWaalsContact CB-CE1 3.45Å; F63-Y164 HydrophobicContact CB-CD1 4.12Å; F63-Y164 HydrophobicContact CB-CD2 3.83Å; F63-Y164 HydrophobicContact CB-CE2 4.33Å; F63-Y164 HydrophobicContact CB-CG 3.71Å; F63-Y164 AromaticContact CD2-CD2 3.66Å; F63-Y164 HydrophobicContact CD2-CD2 3.66Å; F63-Y164 HydrophobicContact CD2-CE2 4.39Å; F63-Y164 HydrophobicContact CD2-CG 4.16Å; F63-Y164 HydrophobicContact CG-CD2 4.22Å; F63-Y164 HydrophobicContact CG-CG 4.35Å; E66-Y164 PolarHBondContact OE1-OH 2.89Å; E66-Y164 PolarHBondContact OE2-OH 3.09Å; L160-Y164 HydrophobicContact CD1-CD2 4.3Å; L160-Y164 HydrophobicContact CD1-CE2 3.89Å; L160-Y164 WeakPolarHBondContact O-CD2 3.43Å; R161-Y164 PolarHBondContact O-N 3.42Å; R161-Y164 VanDerWaalsContact O-N 3.16Å; E162-Y164 PolarHBondContact O-N 2.98Å
165Q74.2Confident86.6Confident144 Ų14472.1 Ų72.167%0.67335%0.349SS*.Hα-helixtrans-83.7-18.3175.3-78.4179.5-10.800113.9R161R161-Q165 WeakPolarHBondContact O-CG 2.91Å; R161-Q165 PolarHBondContact O-N 3.18Å; R161-Q165 VanDerWaalsContact O-N 3.07Å
166N58.4Low85.7Confident156 Ų15677.7 Ų77.783%0.83438%0.375SS*.  trans-1030176-58-62.9000110.7K59 E162K59-N166 PolarHBondContact NZ-O 2.98Å; K59-N166 PolarHBondContact NZ-OXT 2.79Å; E162-N166 PolarHBondContact O-ND2 3.29Å

Retrieved 166 of 166 residues in 50.2 ms (Link to these results)

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