A0A6P6ERJ7_OCTDE Loading...

Ras-related protein Rap-2c isoform X2

AlphaFold DB , UniProt , Accession A0A6P6ERJ7, Species OCTDE (Octodon degus, Degu), Gene Rap2c, Length 117 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
1M59.9Low85.8Confident197 Ų197111.1 Ų111.197%0.9754%0.535SS*.  0-49.60-79.6-168-87.100113D3 L4 Y5M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.33Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-Y5 VanDerWaalsContact O-CD2 3.28Å; M1-Y5 WeakPolarHBondContact O-CD2 3.28Å
2R76.1Confident86.6Confident187 Ų187103.8 Ų103.871%0.70650%0.499SS*.Hα-helixtrans-55.1-43.1179.2-69.7-175.5-175.91701.1114.1L4 Y5 I6R2-L4 VanDerWaalsContact C-N 3.25Å; R2-L4 PolarHBondContact O-N 3.2Å; R2-Y5 PolarHBondContact O-N 2.83Å; R2-Y5 VanDerWaalsContact O-N 3.16Å; R2-I6 WeakPolarHBondContact O-CG1 3.43Å; R2-I6 PolarHBondContact O-N 3.38Å; R2-I6 VanDerWaalsContact O-N 3.07Å
3D82.1Confident87.5Confident85 Ų85100 Ų10046%0.45548%0.482SS..Hα-helixtrans-62.2-28.8-177.4-62.6-10000114M1 I6 K7 Q33M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.33Å; D3-I6 PolarHBondContact O-N 3.01Å; D3-K7 VanDerWaalsContact O-CB 3.23Å; D3-K7 WeakPolarHBondContact O-CB 2.94Å; D3-K7 PolarHBondContact O-N 3.46Å; D3-Q33 PolarHBondContact OD1-NE2 3.43Å
4L85.3Confident88.3Confident105 Ų10593.6 Ų93.655%0.5545%0.452SS..Hα-helixtrans-69.4-42.3177.3-175.364.7000111.3M1 R2 I6 K7 N8M1-L4 PolarHBondContact O-N 3.26Å; R2-L4 VanDerWaalsContact C-N 3.25Å; R2-L4 PolarHBondContact O-N 3.2Å; L4-I6 VanDerWaalsContact C-N 3.32Å; L4-K7 PolarHBondContact O-N 3.32Å; L4-N8 PolarHBondContact O-N 2.78Å
5Y89.3Confident88.9Confident168 Ų16892 Ų9266%0.65945%0.45SS*.Hα-helixtrans-65.8-37.7175.5-59.2-63.2000111.4M1 R2 G9M1-Y5 VanDerWaalsContact O-CD2 3.28Å; M1-Y5 WeakPolarHBondContact O-CD2 3.28Å; R2-Y5 PolarHBondContact O-N 2.83Å; R2-Y5 VanDerWaalsContact O-N 3.16Å; Y5-G9 WeakPolarHBondContact O-CA 3.45Å; Y5-G9 PolarHBondContact O-N 2.98Å
6I91.5Very high89.5Confident18 Ų1886.6 Ų86.69%0.09242%0.423CS..Hα-helixtrans-68-43.6174.4-60.7170.3000110.6R2 D3 L4 N8 F12 Q33 I34 V37 K38R2-I6 WeakPolarHBondContact O-CG1 3.43Å; R2-I6 PolarHBondContact O-N 3.38Å; R2-I6 VanDerWaalsContact O-N 3.07Å; D3-I6 PolarHBondContact O-N 3.01Å; L4-I6 VanDerWaalsContact C-N 3.32Å; I6-N8 VanDerWaalsContact C-N 3.32Å; I6-N8 PolarHBondContact O-N 2.8Å; I6-F12 HydrophobicContact CB-CE1 4.33Å; I6-F12 HydrophobicContact CB-CZ 4.48Å; I6-F12 HydrophobicContact CG1-CE1 4.27Å; I6-F12 HydrophobicContact CG2-CE1 4.14Å; I6-F12 HydrophobicContact CG2-CZ 4.01Å; I6-Q33 HydrophobicContact CD1-CG 3.95Å; I6-I34 HydrophobicContact CD1-CG1 4.23Å; I6-I34 HydrophobicContact CG1-CG1 4.3Å; I6-I34 HydrophobicContact CG2-CB 4.37Å; I6-I34 HydrophobicContact CG2-CG1 4.23Å; I6-I34 HydrophobicContact CG2-CG2 4.4Å; I6-V37 HydrophobicContact CB-CB 4.36Å; I6-V37 HydrophobicContact CB-CG1 4Å; I6-V37 HydrophobicContact CG2-CB 3.57Å; I6-V37 HydrophobicContact CG2-CG1 3.57Å; I6-V37 HydrophobicContact CG2-CG2 4.27Å; I6-K38 HydrophobicContact CG2-CG 4.49Å; I6-K38 WeakPolarHBondContact O-CD 3.23Å; I6-K38 WeakPolarHBondContact O-CE 3.38Å; I6-K38 PolarHBondContact O-NZ 3.07Å
7K90.1Very high90.1Very high146 Ų14682.2 Ų82.264%0.63540%0.403SS*.Hα-helixtrans-59.9-43.8179.5-171.1176.5-179.3-177.80111.4D3 L4 V37 K38D3-K7 VanDerWaalsContact O-CB 3.23Å; D3-K7 WeakPolarHBondContact O-CB 2.94Å; D3-K7 PolarHBondContact O-N 3.46Å; L4-K7 PolarHBondContact O-N 3.32Å; K7-V37 HydrophobicContact CB-CG1 4.3Å; K7-K38 PolarHBondContact O-NZ 3.16Å
8N90.5Very high90.6Very high110 Ų11077.7 Ų77.759%0.58838%0.381SS*.Hα-helixtrans-90.7-22.3-175.5-63.1-16.4000114.5L4 I6L4-N8 PolarHBondContact O-N 2.78Å; I6-N8 VanDerWaalsContact C-N 3.32Å; I6-N8 PolarHBondContact O-N 2.8Å
9G92.3Very high91Very high23 Ų2374.7 Ų74.724%0.23737%0.367CS..  trans-68.8132.9-174.800000113Y5 K38Y5-G9 WeakPolarHBondContact O-CA 3.45Å; Y5-G9 PolarHBondContact O-N 2.98Å; G9-K38 WeakPolarHBondContact O-CE 3.28Å; G9-K38 PolarHBondContact O-NZ 3.07Å
10Q91.6Very high91.3Very high158 Ų15874.4 Ų74.474%0.73837%0.368SS*.SBendtrans-90.5-20.1-175.4-66.3172.3-83.300113.3P44 M98Q10-P44 WeakPolarHBondContact O-CG 3.37Å; Q10-M98 HydrophobicContact CB-SD 3.69Å; Q10-M98 WeakPolarHBondContact O-CG 3.42Å
11G94.8Very high91.7Very high25 Ų2573.7 Ų73.726%0.25836%0.363SS..  trans-148.5152176.900000111.3P44 M98G11-P44 CarbonylContact C-O 3.57Å; G11-P44 WeakPolarHBondContact CA-O 2.94Å; G11-M98 PolarHBondContact N-SD 3.36Å; G11-M98 VanDerWaalsContact N-SD 3.4Å
12F96.3Very high93.5Very high23 Ų2369.6 Ų69.610%0.10134%0.342CS..EExtended strand (participates in β ladder)trans-126.7126.6-173.1-63.3-88.8000111I6 L14 I34 K38 V43 P44 L45 I46I6-F12 HydrophobicContact CB-CE1 4.33Å; I6-F12 HydrophobicContact CB-CZ 4.48Å; I6-F12 HydrophobicContact CG1-CE1 4.27Å; I6-F12 HydrophobicContact CG2-CE1 4.14Å; I6-F12 HydrophobicContact CG2-CZ 4.01Å; F12-L14 HydrophobicContact CB-CD1 3.9Å; F12-I34 HydrophobicContact CB-CD1 4.21Å; F12-I34 HydrophobicContact CD1-CD1 3.61Å; F12-I34 HydrophobicContact CD1-CG1 3.93Å; F12-I34 HydrophobicContact CD1-CG2 4.02Å; F12-I34 HydrophobicContact CD2-CG2 3.76Å; F12-I34 HydrophobicContact CE1-CD1 4.26Å; F12-I34 HydrophobicContact CE1-CG1 4.07Å; F12-I34 HydrophobicContact CE1-CG2 4.05Å; F12-I34 HydrophobicContact CE2-CG2 3.8Å; F12-I34 HydrophobicContact CG-CD1 4Å; F12-I34 HydrophobicContact CG-CG1 4.48Å; F12-I34 HydrophobicContact CG-CG2 3.88Å; F12-I34 HydrophobicContact CZ-CG2 3.95Å; F12-K38 HydrophobicContact CE2-CD 4.44Å; F12-K38 HydrophobicContact CE2-CG 4.16Å; F12-K38 HydrophobicContact CZ-CG 4.39Å; F12-V43 HydrophobicContact CD2-CG1 3.47Å; F12-V43 VanDerWaalsContact CD2-CG1 3.47Å; F12-V43 HydrophobicContact CE2-CG1 3.7Å; F12-P44 PolarHBondContact N-O 3.38Å; F12-L45 HydrophobicContact CB-CD1 4.41Å; F12-L45 HydrophobicContact CB-CG 4.42Å; F12-L45 CarbonylContact O-C 3.6Å; F12-L45 VanDerWaalsContact O-CA 3.27Å; F12-L45 WeakPolarHBondContact O-CA 3.43Å; F12-I46 PolarHBondContact O-N 2.87Å
13I97.9Very high94.6Very high55 Ų5561.9 Ų61.928%0.28232%0.316SS..EExtended strand (participates in β ladder)trans-104.1112170-56.5177.1000106.6V15 I46 V48 L90 F91 I94I13-V15 HydrophobicContact CG2-CG2 3.62Å; I13-I46 HydrophobicContact CB-CG2 4.17Å; I13-I46 HydrophobicContact CG1-CG2 3.82Å; I13-I46 HydrophobicContact CG2-CG2 4.11Å; I13-V48 HydrophobicContact CG2-CB 4.43Å; I13-V48 HydrophobicContact CG2-CG2 3.6Å; I13-L90 HydrophobicContact CD1-CD1 4.39Å; I13-L90 HydrophobicContact CD1-CD2 4.49Å; I13-L90 HydrophobicContact CD1-CG 4.27Å; I13-L90 HydrophobicContact CG2-CD1 4.07Å; I13-L90 HydrophobicContact CG2-CD2 4.12Å; I13-F91 HydrophobicContact CD1-CD1 4Å; I13-F91 HydrophobicContact CD1-CE1 3.71Å; I13-F91 HydrophobicContact CD1-CZ 4.34Å; I13-I94 HydrophobicContact CD1-CG2 4.15Å; I13-I94 HydrophobicContact CG1-CB 4.36Å; I13-I94 HydrophobicContact CG1-CG1 4.22Å; I13-I94 HydrophobicContact CG1-CG2 4.32Å
14L97.8Very high95.4Very high10 Ų1058.5 Ų58.55%0.05230%0.298CS..EExtended strand (participates in β ladder)trans-95.1113.4175.4-87.366.8000108.6F12 R31 I34 L45 I46 L47 V48 W72F12-L14 HydrophobicContact CB-CD1 3.9Å; L14-R31 HydrophobicContact CD2-CB 3.64Å; L14-R31 HydrophobicContact CD2-CG 4.25Å; L14-I34 HydrophobicContact CD1-CD1 3.66Å; L14-I34 HydrophobicContact CG-CD1 4.45Å; L14-L45 HydrophobicContact CD1-CD1 3.55Å; L14-L45 HydrophobicContact CD1-CD2 4.46Å; L14-L45 HydrophobicContact CD1-CG 3.86Å; L14-L45 HydrophobicContact CD2-CD1 4.1Å; L14-L45 HydrophobicContact CG-CD1 4.44Å; L14-I46 PolarHBondContact N-O 3.11Å; L14-L47 HydrophobicContact CB-CD1 4.36Å; L14-V48 PolarHBondContact O-N 3.37Å; L14-W72 HydrophobicContact CD2-CH2 4Å; L14-W72 HydrophobicContact CD2-CZ3 3.82Å
15V98.5Very high95.9Very high70 Ų7057.6 Ų57.642%0.42429%0.291SS..EExtended strand (participates in β ladder)trans-111.3129.7-174.7-169.70000110I13 V48 N50I13-V15 HydrophobicContact CG2-CG2 3.62Å; V15-V48 WeakPolarHBondContact CA-O 3.39Å; V15-V48 HydrophobicContact CG1-CB 4.44Å; V15-V48 HydrophobicContact CG1-CG1 4.39Å; V15-V48 HydrophobicContact CG2-CB 4.18Å; V15-N50 HydrophobicContact CG1-CB 3.57Å
16Y98.8Very high96.3Very high5 Ų553 Ų532%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-118.9169.6162.969.6-83.2000110.2L18 F24 I27 L47 V48 N50 V60 F76Y16-L18 HydrophobicContact CE2-CD2 3.73Å; Y16-F24 AromaticContact CD1-CD2 3.84Å; Y16-F24 HydrophobicContact CD1-CD2 3.84Å; Y16-F24 HydrophobicContact CD1-CE2 4.42Å; Y16-F24 HydrophobicContact CD2-CB 3.89Å; Y16-F24 AromaticContact CD2-CD2 3.72Å; Y16-F24 HydrophobicContact CD2-CD2 3.72Å; Y16-F24 HydrophobicContact CD2-CG 4.22Å; Y16-F24 AromaticContact CE1-CD2 3.75Å; Y16-F24 HydrophobicContact CE1-CD2 3.75Å; Y16-F24 AromaticContact CE1-CE2 3.96Å; Y16-F24 HydrophobicContact CE1-CE2 3.96Å; Y16-F24 HydrophobicContact CE2-CB 4.37Å; Y16-F24 AromaticContact CE2-CD2 3.63Å; Y16-F24 HydrophobicContact CE2-CD2 3.63Å; Y16-F24 HydrophobicContact CE2-CE2 4.28Å; Y16-F24 HydrophobicContact CE2-CG 4.29Å; Y16-F24 HydrophobicContact CG-CB 4.27Å; Y16-F24 AromaticContact CG-CD2 3.82Å; Y16-F24 HydrophobicContact CG-CD2 3.82Å; Y16-F24 AromaticContact CZ-CD2 3.64Å; Y16-F24 AromaticContact CZ-CE2 3.89Å; Y16-I27 HydrophobicContact CD1-CG2 4.44Å; Y16-I27 HydrophobicContact CG-CG2 4.45Å; Y16-L47 HydrophobicContact CD1-CD1 3.85Å; Y16-L47 HydrophobicContact CE1-CD1 3.89Å; Y16-L47 HydrophobicContact CE1-CD2 4.49Å; Y16-L47 HydrophobicContact CE1-CG 4.16Å; Y16-V48 WeakPolarHBondContact CD1-O 3.36Å; Y16-V48 PolarHBondContact N-O 2.94Å; Y16-N50 WeakPolarHBondContact O-CB 3.47Å; Y16-N50 PolarHBondContact O-N 3.48Å; Y16-V60 HydrophobicContact CD2-CG2 4.25Å; Y16-V60 HydrophobicContact CE2-CB 3.86Å; Y16-V60 HydrophobicContact CE2-CG1 3.6Å; Y16-V60 HydrophobicContact CE2-CG2 4.02Å; Y16-F76 HydrophobicContact CE1-CE2 4.13Å; Y16-F76 WeakPolarHBondContact OH-CE2 3.45Å
17S98.6Very high96.6Very high12 Ų1252.2 Ų52.28%0.08427%0.274CS..EExtended strand (participates in β ladder)trans-100.9128.5177.3170.20000109.2V19 N20 S23 K51S17-V19 PolarHBondContact O-N 3.26Å; S17-V19 VanDerWaalsContact O-N 3.15Å; S17-V19 VanDerWaalsContact OG-CG2 3.29Å; S17-V19 WeakPolarHBondContact OG-CG2 3.39Å; S17-N20 PolarHBondContact O-N 2.67Å; S17-N20 VanDerWaalsContact O-N 3.09Å; S17-S23 PolarHBondContact N-OG 3.39Å; S17-S23 PolarHBondContact O-OG 3.08Å; S17-K51 WeakPolarHBondContact OG-CD 3.35Å; S17-K51 WeakPolarHBondContact OG-CE 3.23Å; S17-K51 PolarHBondContact OG-NZ 2.94Å
18L98.6Very high96.9Very high2 Ų249.3 Ų49.31%0.0126%0.261CS..THydrogen-bonded Turntrans-62-22.5178.2-65.2173.4000112.9Y16 N50 V52 E59 V60 E78Y16-L18 HydrophobicContact CE2-CD2 3.73Å; L18-N50 WeakPolarHBondContact CG-O 3.06Å; L18-N50 PolarHBondContact N-O 3.22Å; L18-V52 HydrophobicContact CD1-CB 3.87Å; L18-V52 HydrophobicContact CD1-CG2 4.18Å; L18-E59 PolarHBondContact O-N 2.73Å; L18-V60 PolarHBondContact O-N 3.4Å; L18-E78 HydrophobicContact CD1-CB 4.41Å; L18-E78 HydrophobicContact CD1-CG 4.2Å; L18-E78 HydrophobicContact CD2-CG 4.32Å; L18-E78 WeakPolarHBondContact CD2-OE1 3.21Å
19V98.5Very high97.1Very high20 Ų2048 Ų4812%0.12126%0.258CS..THydrogen-bonded Turntrans-102.122.4178.7-51.70000113.1S17 K51 L54 E57S17-V19 PolarHBondContact O-N 3.26Å; S17-V19 VanDerWaalsContact O-N 3.15Å; S17-V19 VanDerWaalsContact OG-CG2 3.29Å; S17-V19 WeakPolarHBondContact OG-CG2 3.39Å; V19-K51 HydrophobicContact CG2-CD 3.99Å; V19-L54 HydrophobicContact CG1-CB 3.6Å; V19-L54 HydrophobicContact CG1-CD1 4.3Å; V19-L54 WeakPolarHBondContact CG1-O 3.08Å; V19-L54 HydrophobicContact CG2-CD1 4.03Å; V19-E57 HydrophobicContact CB-CB 4.15Å; V19-E57 WeakPolarHBondContact CB-O 3.24Å; V19-E57 HydrophobicContact CG1-CB 3.69Å; V19-E57 WeakPolarHBondContact CG1-O 3.49Å
20N98.4Very high97.3Very high69 Ų6951 Ų5137%0.36927%0.267SS..  trans-15099.3175.9-178-33.2000110.4S17 Q22 S23 E59S17-N20 PolarHBondContact O-N 2.67Å; S17-N20 VanDerWaalsContact O-N 3.09Å; N20-Q22 VanDerWaalsContact C-N 3.28Å; N20-Q22 PolarHBondContact O-N 3.29Å; N20-Q22 WeakPolarHBondContact OD1-CA 3.46Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.23Å; N20-Q22 PolarHBondContact OD1-N 2.96Å; N20-S23 WeakPolarHBondContact O-CB 3.32Å; N20-S23 PolarHBondContact O-N 3.23Å; N20-S23 VanDerWaalsContact O-N 3.14Å; N20-S23 PolarHBondContact O-OG 3.31Å; N20-S23 PolarHBondContact OD1-N 3.08Å; N20-E59 VanDerWaalsContact CA-OE2 3.31Å; N20-E59 WeakPolarHBondContact CA-OE2 3.41Å
21Q98.2Very high97.5Very high59 Ų5946.5 Ų46.528%0.27624%0.243SC..Hα-helixtrans-58.4-37.3180-172.465.212.200112.7S23 F24 Q25 E59Q21-S23 VanDerWaalsContact C-N 3.29Å; Q21-S23 PolarHBondContact O-N 3.14Å; Q21-F24 WeakPolarHBondContact O-CB 3.48Å; Q21-F24 PolarHBondContact O-N 2.98Å; Q21-F24 VanDerWaalsContact O-N 3.11Å; Q21-Q25 PolarHBondContact O-N 3.47Å; Q21-Q25 VanDerWaalsContact O-N 3.16Å; Q21-E59 HydrophobicContact CB-CB 4.42Å; Q21-E59 PolarHBondContact N-OE2 2.63Å; Q21-E59 PolarHBondContact OE1-O 3.16Å
22Q98.4Very high97.4Very high112 Ų11249.6 Ų49.652%0.52325%0.254SS..Hα-helixtrans-62.1-40.4179.1-173.860.550.800111N20 F24 Q25 D26N20-Q22 VanDerWaalsContact C-N 3.28Å; N20-Q22 PolarHBondContact O-N 3.29Å; N20-Q22 WeakPolarHBondContact OD1-CA 3.46Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.23Å; N20-Q22 PolarHBondContact OD1-N 2.96Å; Q22-F24 PolarHBondContact O-N 3.06Å; Q22-Q25 PolarHBondContact O-N 3.4Å; Q22-D26 PolarHBondContact NE2-OD1 3.39Å; Q22-D26 VanDerWaalsContact O-CG 3.23Å; Q22-D26 PolarHBondContact O-N 2.93Å
23S98.5Very high97.3Very high24 Ų2451 Ų5117%0.16826%0.261CS..Hα-helixtrans-61.5-30.3177.276.90000112.8S17 N20 Q21 I27S17-S23 PolarHBondContact N-OG 3.39Å; S17-S23 PolarHBondContact O-OG 3.08Å; N20-S23 WeakPolarHBondContact O-CB 3.32Å; N20-S23 PolarHBondContact O-N 3.23Å; N20-S23 VanDerWaalsContact O-N 3.14Å; N20-S23 PolarHBondContact O-OG 3.31Å; N20-S23 PolarHBondContact OD1-N 3.08Å; Q21-S23 VanDerWaalsContact C-N 3.29Å; Q21-S23 PolarHBondContact O-N 3.14Å; S23-I27 WeakPolarHBondContact O-CG2 3.35Å
24F98.5Very high97.1Very high15 Ų1549 Ų497%0.06625%0.25CS..Hα-helixtrans-73.2-37.2174.1-175.8-116.1000112.1Y16 Q21 Q22 D26 I27 V60 E64 L68Y16-F24 AromaticContact CD1-CD2 3.84Å; Y16-F24 HydrophobicContact CD1-CD2 3.84Å; Y16-F24 HydrophobicContact CD1-CE2 4.42Å; Y16-F24 HydrophobicContact CD2-CB 3.89Å; Y16-F24 AromaticContact CD2-CD2 3.72Å; Y16-F24 HydrophobicContact CD2-CD2 3.72Å; Y16-F24 HydrophobicContact CD2-CG 4.22Å; Y16-F24 AromaticContact CE1-CD2 3.75Å; Y16-F24 HydrophobicContact CE1-CD2 3.75Å; Y16-F24 AromaticContact CE1-CE2 3.96Å; Y16-F24 HydrophobicContact CE1-CE2 3.96Å; Y16-F24 HydrophobicContact CE2-CB 4.37Å; Y16-F24 AromaticContact CE2-CD2 3.63Å; Y16-F24 HydrophobicContact CE2-CD2 3.63Å; Y16-F24 HydrophobicContact CE2-CE2 4.28Å; Y16-F24 HydrophobicContact CE2-CG 4.29Å; Y16-F24 HydrophobicContact CG-CB 4.27Å; Y16-F24 AromaticContact CG-CD2 3.82Å; Y16-F24 HydrophobicContact CG-CD2 3.82Å; Y16-F24 AromaticContact CZ-CD2 3.64Å; Y16-F24 AromaticContact CZ-CE2 3.89Å; Q21-F24 WeakPolarHBondContact O-CB 3.48Å; Q21-F24 PolarHBondContact O-N 2.98Å; Q21-F24 VanDerWaalsContact O-N 3.11Å; Q22-F24 PolarHBondContact O-N 3.06Å; F24-D26 VanDerWaalsContact C-N 3.34Å; F24-I27 WeakPolarHBondContact O-CG1 3.16Å; F24-I27 PolarHBondContact O-N 3.37Å; F24-V60 HydrophobicContact CB-CG1 4.46Å; F24-V60 HydrophobicContact CB-CG2 3.78Å; F24-V60 HydrophobicContact CD1-CG1 4.08Å; F24-V60 HydrophobicContact CD2-CG1 4.05Å; F24-V60 HydrophobicContact CE1-CG1 4.3Å; F24-V60 HydrophobicContact CE2-CG1 4.27Å; F24-V60 HydrophobicContact CG-CG1 3.95Å; F24-V60 HydrophobicContact CG-CG2 4.17Å; F24-V60 HydrophobicContact CZ-CG1 4.39Å; F24-E64 HydrophobicContact CE1-CB 4.16Å; F24-E64 HydrophobicContact CZ-CB 4.09Å; F24-L68 HydrophobicContact CD2-CD2 4.44Å; F24-L68 HydrophobicContact CE1-CD2 4.45Å; F24-L68 HydrophobicContact CE2-CD2 3.58Å; F24-L68 HydrophobicContact CZ-CB 4.16Å; F24-L68 HydrophobicContact CZ-CD2 3.58Å
25Q97.6Very high96.8Very high86 Ų8651.3 Ų51.340%0.40227%0.265SS..Hα-helixtrans-66.8-37.4174.9-60.6-55.8-34.700112.1Q21 Q22 I27 P29Q21-Q25 PolarHBondContact O-N 3.47Å; Q21-Q25 VanDerWaalsContact O-N 3.16Å; Q22-Q25 PolarHBondContact O-N 3.4Å; Q25-I27 PolarHBondContact O-N 3.04Å; Q25-P29 WeakPolarHBondContact O-CD 3.27Å
26D97.6Very high96.5Very high72 Ų7256.6 Ų56.639%0.38528%0.277SS..THydrogen-bonded Turntrans-70.4-15.5-176.8-65.4-18.2000113.4Q22 F24 K28 P29 M30Q22-D26 PolarHBondContact NE2-OD1 3.39Å; Q22-D26 VanDerWaalsContact O-CG 3.23Å; Q22-D26 PolarHBondContact O-N 2.93Å; F24-D26 VanDerWaalsContact C-N 3.34Å; D26-K28 VanDerWaalsContact C-N 3.33Å; D26-K28 PolarHBondContact O-N 3.16Å; D26-P29 WeakPolarHBondContact O-CD 3.48Å; D26-M30 HydrophobicContact CB-CE 3.98Å; D26-M30 VanDerWaalsContact O-CE 3.31Å; D26-M30 WeakPolarHBondContact O-CE 3.5Å; D26-M30 WeakPolarHBondContact O-CG 3.49Å; D26-M30 PolarHBondContact O-N 3.39Å
27I97Very high96.2Very high1 Ų158.1 Ų58.11%0.00529%0.287CS..Hα-helixtrans-69.6-31.1-17885.7157.6000113.4Y16 S23 F24 Q25 M30 R31 L47 L68 W72Y16-I27 HydrophobicContact CD1-CG2 4.44Å; Y16-I27 HydrophobicContact CG-CG2 4.45Å; S23-I27 WeakPolarHBondContact O-CG2 3.35Å; F24-I27 WeakPolarHBondContact O-CG1 3.16Å; F24-I27 PolarHBondContact O-N 3.37Å; Q25-I27 PolarHBondContact O-N 3.04Å; I27-M30 WeakPolarHBondContact O-CB 3.31Å; I27-M30 PolarHBondContact O-N 3.47Å; I27-R31 PolarHBondContact O-N 3.14Å; I27-L47 HydrophobicContact CD1-CD1 3.15Å; I27-L47 HydrophobicContact CD1-CD2 4.02Å; I27-L47 HydrophobicContact CD1-CG 4.23Å; I27-L68 HydrophobicContact CD1-CD2 3.57Å; I27-L68 HydrophobicContact CG1-CD2 3.95Å; I27-W72 HydrophobicContact CB-CH2 4.29Å; I27-W72 HydrophobicContact CD1-CH2 3.17Å; I27-W72 HydrophobicContact CD1-CZ2 4.07Å; I27-W72 HydrophobicContact CD1-CZ3 3.49Å; I27-W72 VanDerWaalsContact CD1-CZ3 3.49Å; I27-W72 HydrophobicContact CG1-CH2 3.44Å; I27-W72 VanDerWaalsContact CG1-CH2 3.44Å; I27-W72 HydrophobicContact CG1-CZ2 4.1Å; I27-W72 HydrophobicContact CG1-CZ3 4.25Å
28K95.7Very high95.7Very high85 Ų8558.8 Ų58.837%0.3729%0.289SS..Hα-helixtrans-63.3-54-177.3-80.5174.9177.8-175.20110.4D26 M30 R31 D32 L68 W72D26-K28 VanDerWaalsContact C-N 3.33Å; D26-K28 PolarHBondContact O-N 3.16Å; K28-M30 PolarHBondContact O-N 3.29Å; K28-R31 WeakPolarHBondContact O-CB 3.43Å; K28-R31 PolarHBondContact O-N 3.22Å; K28-R31 VanDerWaalsContact O-N 3.13Å; K28-D32 VanDerWaalsContact O-CG 3.3Å; K28-D32 PolarHBondContact O-N 3.07Å; K28-L68 VanDerWaalsContact CE-CD1 3.42Å; K28-L68 HydrophobicContact CG-CD1 4.41Å; K28-W72 HydrophobicContact CG-CZ2 3.84Å
29P96.3Very high94.9Very high81 Ų8169.6 Ų69.653%0.52633%0.329SS..Hα-helixtrans-54.7-37.4172.1-26.332.1000114.2Q25 D26 D32 Q33Q25-P29 WeakPolarHBondContact O-CD 3.27Å; D26-P29 WeakPolarHBondContact O-CD 3.48Å; P29-D32 PolarHBondContact O-N 3.1Å; P29-Q33 PolarHBondContact O-N 3.48Å
30M95.4Very high93.8Very high88 Ų8875.9 Ų75.943%0.43335%0.352SS..Hα-helixtrans-65.6-44177.8-72.1-169.8-97.600112.1D26 I27 K28 Q33 I34D26-M30 HydrophobicContact CB-CE 3.98Å; D26-M30 VanDerWaalsContact O-CE 3.31Å; D26-M30 WeakPolarHBondContact O-CE 3.5Å; D26-M30 WeakPolarHBondContact O-CG 3.49Å; D26-M30 PolarHBondContact O-N 3.39Å; I27-M30 WeakPolarHBondContact O-CB 3.31Å; I27-M30 PolarHBondContact O-N 3.47Å; K28-M30 PolarHBondContact O-N 3.29Å; M30-Q33 PolarHBondContact O-N 3.07Å; M30-I34 WeakPolarHBondContact O-CG1 3.46Å; M30-I34 PolarHBondContact O-N 3.29Å; M30-I34 VanDerWaalsContact O-N 3.14Å
31R95.3Very high92.4Very high62 Ų6281.9 Ų81.923%0.23438%0.378CS..Hα-helixtrans-61-45.5175.2-173.7-117.1-173.8-179.92.8111.3L14 I27 K28 Q33 I34 V35 L45 W72L14-R31 HydrophobicContact CD2-CB 3.64Å; L14-R31 HydrophobicContact CD2-CG 4.25Å; I27-R31 PolarHBondContact O-N 3.14Å; K28-R31 WeakPolarHBondContact O-CB 3.43Å; K28-R31 PolarHBondContact O-N 3.22Å; K28-R31 VanDerWaalsContact O-N 3.13Å; R31-Q33 VanDerWaalsContact C-N 3.3Å; R31-Q33 PolarHBondContact O-N 3.45Å; R31-I34 WeakPolarHBondContact O-CB 3.45Å; R31-I34 PolarHBondContact O-N 2.95Å; R31-I34 VanDerWaalsContact O-N 3.08Å; R31-V35 WeakPolarHBondContact O-CG2 3.48Å; R31-V35 PolarHBondContact O-N 2.86Å; R31-L45 HydrophobicContact CG-CD1 4.12Å; R31-W72 HydrophobicContact CB-CH2 3.57Å; R31-W72 HydrophobicContact CB-CZ2 3.85Å; R31-W72 HydrophobicContact CB-CZ3 4.11Å; R31-W72 HydrophobicContact CG-CD2 4.17Å; R31-W72 HydrophobicContact CG-CE3 4.14Å; R31-W72 HydrophobicContact CG-CH2 3.85Å; R31-W72 HydrophobicContact CG-CZ2 3.98Å; R31-W72 HydrophobicContact CG-CZ3 3.99Å; R31-W72 VanDerWaalsContact CZ-CD1 3.42Å
32D94.1Very high91.6Very high90 Ų9086 Ų8648%0.48140%0.395SS..Hα-helixtrans-62.7-38.6-179.7-64.6-18.3000111.8K28 P29 R36K28-D32 VanDerWaalsContact O-CG 3.3Å; K28-D32 PolarHBondContact O-N 3.07Å; P29-D32 PolarHBondContact O-N 3.1Å; D32-R36 VanDerWaalsContact O-CB 3.23Å; D32-R36 WeakPolarHBondContact O-CB 3.42Å; D32-R36 PolarHBondContact O-N 2.72Å
33Q93.7Very high91.3Very high52 Ų5282 Ų8224%0.24338%0.378CS..Hα-helixtrans-62.7-42173.4-174.2176.6-11.600111.8D3 I6 P29 M30 R31 V37D3-Q33 PolarHBondContact OD1-NE2 3.43Å; I6-Q33 HydrophobicContact CD1-CG 3.95Å; P29-Q33 PolarHBondContact O-N 3.48Å; M30-Q33 PolarHBondContact O-N 3.07Å; R31-Q33 VanDerWaalsContact C-N 3.3Å; R31-Q33 PolarHBondContact O-N 3.45Å; Q33-V37 VanDerWaalsContact O-CG2 3.28Å; Q33-V37 WeakPolarHBondContact O-CG2 3.33Å; Q33-V37 PolarHBondContact O-N 2.89Å; Q33-V37 VanDerWaalsContact O-N 3.08Å
34I93.8Very high91.1Very high13 Ų1381.6 Ų81.67%0.06738%0.375CS..Hα-helixtrans-62.4-51.7178.4-69.9162.2000110.8I6 F12 L14 M30 R31 R36 V37 K38 V43I6-I34 HydrophobicContact CD1-CG1 4.23Å; I6-I34 HydrophobicContact CG1-CG1 4.3Å; I6-I34 HydrophobicContact CG2-CB 4.37Å; I6-I34 HydrophobicContact CG2-CG1 4.23Å; I6-I34 HydrophobicContact CG2-CG2 4.4Å; F12-I34 HydrophobicContact CB-CD1 4.21Å; F12-I34 HydrophobicContact CD1-CD1 3.61Å; F12-I34 HydrophobicContact CD1-CG1 3.93Å; F12-I34 HydrophobicContact CD1-CG2 4.02Å; F12-I34 HydrophobicContact CD2-CG2 3.76Å; F12-I34 HydrophobicContact CE1-CD1 4.26Å; F12-I34 HydrophobicContact CE1-CG1 4.07Å; F12-I34 HydrophobicContact CE1-CG2 4.05Å; F12-I34 HydrophobicContact CE2-CG2 3.8Å; F12-I34 HydrophobicContact CG-CD1 4Å; F12-I34 HydrophobicContact CG-CG1 4.48Å; F12-I34 HydrophobicContact CG-CG2 3.88Å; F12-I34 HydrophobicContact CZ-CG2 3.95Å; L14-I34 HydrophobicContact CD1-CD1 3.66Å; L14-I34 HydrophobicContact CG-CD1 4.45Å; M30-I34 WeakPolarHBondContact O-CG1 3.46Å; M30-I34 PolarHBondContact O-N 3.29Å; M30-I34 VanDerWaalsContact O-N 3.14Å; R31-I34 WeakPolarHBondContact O-CB 3.45Å; R31-I34 PolarHBondContact O-N 2.95Å; R31-I34 VanDerWaalsContact O-N 3.08Å; I34-R36 VanDerWaalsContact C-N 3.32Å; I34-R36 PolarHBondContact O-N 2.94Å; I34-V37 PolarHBondContact O-N 2.97Å; I34-K38 HydrophobicContact CG2-CG 4.36Å; I34-K38 WeakPolarHBondContact O-CB 3.34Å; I34-K38 WeakPolarHBondContact O-CG 3.22Å; I34-K38 PolarHBondContact O-N 3.47Å; I34-V43 HydrophobicContact CG2-CG1 3.89Å
35V91.9Very high91Very high60 Ų6081.4 Ų81.436%0.36438%0.375SS..Hα-helixtrans-58.4-46.4-1801740000110.5R31 V37 K38 R39R31-V35 WeakPolarHBondContact O-CG2 3.48Å; R31-V35 PolarHBondContact O-N 2.86Å; V35-V37 PolarHBondContact O-N 2.98Å; V35-K38 PolarHBondContact O-N 3.38Å; V35-R39 PolarHBondContact O-N 2.9Å; V35-R39 VanDerWaalsContact O-N 3.11Å
36R91.7Very high91Very high180 Ų18077.3 Ų77.368%0.67936%0.355SS*.Hα-helixtrans-59.9-42.2179.2-175.5179.569.7-171.71.2113.1D32 I34D32-R36 VanDerWaalsContact O-CB 3.23Å; D32-R36 WeakPolarHBondContact O-CB 3.42Å; D32-R36 PolarHBondContact O-N 2.72Å; I34-R36 VanDerWaalsContact C-N 3.32Å; I34-R36 PolarHBondContact O-N 2.94Å
37V92.1Very high91Very high38 Ų3873.9 Ų73.923%0.2334%0.337CS..Hα-helixtrans-75.7-37.3-178.61720000111.4I6 K7 Q33 I34 V35I6-V37 HydrophobicContact CB-CB 4.36Å; I6-V37 HydrophobicContact CB-CG1 4Å; I6-V37 HydrophobicContact CG2-CB 3.57Å; I6-V37 HydrophobicContact CG2-CG1 3.57Å; I6-V37 HydrophobicContact CG2-CG2 4.27Å; K7-V37 HydrophobicContact CB-CG1 4.3Å; Q33-V37 VanDerWaalsContact O-CG2 3.28Å; Q33-V37 WeakPolarHBondContact O-CG2 3.33Å; Q33-V37 PolarHBondContact O-N 2.89Å; Q33-V37 VanDerWaalsContact O-N 3.08Å; I34-V37 PolarHBondContact O-N 2.97Å; V35-V37 PolarHBondContact O-N 2.98Å
38K89.5Confident91.1Very high25 Ų2573.9 Ų73.911%0.10934%0.337CS..Hα-helixtrans-72.4-35.3-177.4-79.9-52.7-157.6-176.70114.5I6 K7 G9 F12 I34 V35 Y40 V43I6-K38 HydrophobicContact CG2-CG 4.49Å; I6-K38 WeakPolarHBondContact O-CD 3.23Å; I6-K38 WeakPolarHBondContact O-CE 3.38Å; I6-K38 PolarHBondContact O-NZ 3.07Å; K7-K38 PolarHBondContact O-NZ 3.16Å; G9-K38 WeakPolarHBondContact O-CE 3.28Å; G9-K38 PolarHBondContact O-NZ 3.07Å; F12-K38 HydrophobicContact CE2-CD 4.44Å; F12-K38 HydrophobicContact CE2-CG 4.16Å; F12-K38 HydrophobicContact CZ-CG 4.39Å; I34-K38 HydrophobicContact CG2-CG 4.36Å; I34-K38 WeakPolarHBondContact O-CB 3.34Å; I34-K38 WeakPolarHBondContact O-CG 3.22Å; I34-K38 PolarHBondContact O-N 3.47Å; V35-K38 PolarHBondContact O-N 3.38Å; K38-Y40 HydrophobicContact CB-CD2 3.88Å; K38-Y40 HydrophobicContact CD-CD2 4.05Å; K38-Y40 HydrophobicContact CD-CE2 3.97Å; K38-Y40 HydrophobicContact CG-CD2 4.34Å; K38-Y40 PolarHBondContact O-N 3.25Å; K38-V43 HydrophobicContact CB-CG2 3.67Å; K38-V43 HydrophobicContact CG-CG1 4.23Å; K38-V43 HydrophobicContact CG-CG2 3.99Å
39R81.1Confident91.3Very high229 Ų22969.8 Ų69.886%0.86432%0.319SS*.  trans56.218.3-178-51.1-178.6177.9-169.8-2.1114.4V35V35-R39 PolarHBondContact O-N 2.9Å; V35-R39 VanDerWaalsContact O-N 3.11Å
40Y74.4Confident91.4Very high153 Ų15367.6 Ų67.660%0.630%0.303SS*.  trans-94.3149.4175.7-64.1-53.8000110.6K38 K42K38-Y40 HydrophobicContact CB-CD2 3.88Å; K38-Y40 HydrophobicContact CD-CD2 4.05Å; K38-Y40 HydrophobicContact CD-CE2 3.97Å; K38-Y40 HydrophobicContact CG-CD2 4.34Å; K38-Y40 PolarHBondContact O-N 3.25Å; Y40-K42 VanDerWaalsContact C-N 3.34Å
41E69.7Low91.5Very high194 Ų19467.4 Ų67.491%0.90730%0.3SS*.SBendtrans-66.1-35.6174.5-71.9-174163.100112.4
42K82.2Confident91.7Very high145 Ų14566.3 Ų66.363%0.6330%0.3SS*.SBendtrans-129.1116.3174.7-73.5174.8-176.4156.60110.3Y40 E105Y40-K42 VanDerWaalsContact C-N 3.34Å; K42-E105 IonicContact NZ-OE1 3.55Å; K42-E105 PolarHBondContact NZ-OE1 2.9Å
43V90.9Very high91.9Very high28 Ų2864.6 Ų64.617%0.1729%0.291CS..  trans-99.2123.2173.2178.50000108.1F12 I34 K38 L45F12-V43 HydrophobicContact CD2-CG1 3.47Å; F12-V43 VanDerWaalsContact CD2-CG1 3.47Å; F12-V43 HydrophobicContact CE2-CG1 3.7Å; I34-V43 HydrophobicContact CG2-CG1 3.89Å; K38-V43 HydrophobicContact CB-CG2 3.67Å; K38-V43 HydrophobicContact CG-CG1 4.23Å; K38-V43 HydrophobicContact CG-CG2 3.99Å; V43-L45 WeakPolarHBondContact O-CB 3.25Å; V43-L45 PolarHBondContact O-N 3.13Å
44P94.6Very high92Very high16 Ų1664.2 Ų64.210%0.10429%0.29CS..  trans-58.9110.1174.3-23.633.7000110.1Q10 G11 F12 I94 Q97 M98Q10-P44 WeakPolarHBondContact O-CG 3.37Å; G11-P44 CarbonylContact C-O 3.57Å; G11-P44 WeakPolarHBondContact CA-O 2.94Å; F12-P44 PolarHBondContact N-O 3.38Å; P44-I94 HydrophobicContact CB-CD1 4.42Å; P44-Q97 HydrophobicContact CB-CB 4.2Å; P44-M98 HydrophobicContact CB-CB 4.5Å; P44-M98 HydrophobicContact CB-CG 3.73Å; P44-M98 HydrophobicContact CG-CG 4.09Å
45L95.9Very high92.2Very high12 Ų1268.1 Ų68.16%0.06331%0.308CS..EExtended strand (participates in β ladder)trans-143.1141.4-171.7-174.3146.4000109.5F12 L14 R31 V43 W72 C74 P75F12-L45 HydrophobicContact CB-CD1 4.41Å; F12-L45 HydrophobicContact CB-CG 4.42Å; F12-L45 CarbonylContact O-C 3.6Å; F12-L45 VanDerWaalsContact O-CA 3.27Å; F12-L45 WeakPolarHBondContact O-CA 3.43Å; L14-L45 HydrophobicContact CD1-CD1 3.55Å; L14-L45 HydrophobicContact CD1-CD2 4.46Å; L14-L45 HydrophobicContact CD1-CG 3.86Å; L14-L45 HydrophobicContact CD2-CD1 4.1Å; L14-L45 HydrophobicContact CG-CD1 4.44Å; R31-L45 HydrophobicContact CG-CD1 4.12Å; V43-L45 WeakPolarHBondContact O-CB 3.25Å; V43-L45 PolarHBondContact O-N 3.13Å; L45-W72 HydrophobicContact CD2-CE3 4.13Å; L45-W72 HydrophobicContact CD2-CZ3 4.4Å; L45-C74 HydrophobicContact CD2-CB 3.88Å; L45-C74 WeakPolarHBondContact O-CB 3.35Å; L45-P75 WeakPolarHBondContact O-CD 3.34Å
46I98Very high92.5Very high0 Ų071.4 Ų71.40%033%0.33CS..EExtended strand (participates in β ladder)trans-131.1136.5170.3-177156.9000109.9F12 I13 L14 V48 P75 M77 L90 E93 I94F12-I46 PolarHBondContact O-N 2.87Å; I13-I46 HydrophobicContact CB-CG2 4.17Å; I13-I46 HydrophobicContact CG1-CG2 3.82Å; I13-I46 HydrophobicContact CG2-CG2 4.11Å; L14-I46 PolarHBondContact N-O 3.11Å; I46-V48 HydrophobicContact CG1-CG2 4.29Å; I46-V48 HydrophobicContact CG2-CG2 4.38Å; I46-P75 HydrophobicContact CD1-CB 3.88Å; I46-P75 HydrophobicContact CG1-CB 4.04Å; I46-M77 HydrophobicContact CD1-CE 4.2Å; I46-M77 HydrophobicContact CD1-CG 4.05Å; I46-M77 HydrophobicContact CD1-SD 3.8Å; I46-L90 HydrophobicContact CD1-CD1 3.71Å; I46-L90 HydrophobicContact CG1-CD1 4.07Å; I46-L90 HydrophobicContact CG2-CD1 3.64Å; I46-E93 HydrophobicContact CD1-CB 4.16Å; I46-E93 HydrophobicContact CD1-CG 3.63Å; I46-I94 HydrophobicContact CG2-CB 4.2Å; I46-I94 HydrophobicContact CG2-CD1 4.05Å; I46-I94 HydrophobicContact CG2-CG1 4.39Å
47L98.6Very high92.8Very high0 Ų068.6 Ų68.60%033%0.325CS..EExtended strand (participates in β ladder)trans-91.7132.2174179.255.3000110.5L14 Y16 I27 L68 A69 W72 P75 F76 M77L14-L47 HydrophobicContact CB-CD1 4.36Å; Y16-L47 HydrophobicContact CD1-CD1 3.85Å; Y16-L47 HydrophobicContact CE1-CD1 3.89Å; Y16-L47 HydrophobicContact CE1-CD2 4.49Å; Y16-L47 HydrophobicContact CE1-CG 4.16Å; I27-L47 HydrophobicContact CD1-CD1 3.15Å; I27-L47 HydrophobicContact CD1-CD2 4.02Å; I27-L47 HydrophobicContact CD1-CG 4.23Å; L47-L68 HydrophobicContact CD2-CB 4.2Å; L47-L68 HydrophobicContact CD2-CD2 4.23Å; L47-L68 HydrophobicContact CD2-CG 4.2Å; L47-A69 HydrophobicContact CB-CB 4.3Å; L47-A69 HydrophobicContact CD2-CB 4.09Å; L47-W72 HydrophobicContact CD1-CZ3 4.26Å; L47-W72 HydrophobicContact CD2-CZ3 4.45Å; L47-P75 PolarHBondContact N-O 3.02Å; L47-F76 HydrophobicContact CB-CD2 4.24Å; L47-F76 HydrophobicContact CD2-CD2 4.18Å; L47-F76 HydrophobicContact CG-CD2 3.89Å; L47-F76 HydrophobicContact CG-CE2 4.38Å; L47-F76 VanDerWaalsContact O-CA 3.31Å; L47-F76 WeakPolarHBondContact O-CA 3.43Å; L47-M77 PolarHBondContact O-N 2.7Å
48V98.8Very high93.1Very high0 Ų068.4 Ų68.40%032%0.32CS..EExtended strand (participates in β ladder)trans-130.4120.6-175.6-1750000112I13 L14 V15 Y16 I46 M77 T79 L90I13-V48 HydrophobicContact CG2-CB 4.43Å; I13-V48 HydrophobicContact CG2-CG2 3.6Å; L14-V48 PolarHBondContact O-N 3.37Å; V15-V48 WeakPolarHBondContact CA-O 3.39Å; V15-V48 HydrophobicContact CG1-CB 4.44Å; V15-V48 HydrophobicContact CG1-CG1 4.39Å; V15-V48 HydrophobicContact CG2-CB 4.18Å; Y16-V48 WeakPolarHBondContact CD1-O 3.36Å; Y16-V48 PolarHBondContact N-O 2.94Å; I46-V48 HydrophobicContact CG1-CG2 4.29Å; I46-V48 HydrophobicContact CG2-CG2 4.38Å; V48-M77 CarbonylContact C-O 3.42Å; V48-M77 VanDerWaalsContact CA-O 3.26Å; V48-M77 WeakPolarHBondContact CA-O 3.38Å; V48-T79 HydrophobicContact CG1-CG2 3.78Å; V48-T79 VanDerWaalsContact CG1-OG1 3.26Å; V48-T79 WeakPolarHBondContact CG1-OG1 3.4Å; V48-L90 HydrophobicContact CG1-CD2 4.16Å; V48-L90 HydrophobicContact CG2-CD1 3.4Å; V48-L90 VanDerWaalsContact CG2-CD1 3.4Å; V48-L90 HydrophobicContact CG2-CD2 3.86Å; V48-L90 HydrophobicContact CG2-CG 4.28Å
49G98.7Very high93.5Very high0 Ų072.3 Ų72.30%034%0.339CS..EExtended strand (participates in β ladder)trans-89.1108.8164.100000110.3M77 E78 T79G49-M77 PolarHBondContact N-O 2.83Å; G49-E78 CarbonylContact O-C 3.43Å; G49-E78 WeakPolarHBondContact O-CA 3.37Å; G49-T79 PolarHBondContact O-N 2.86Å
50N98.8Very high94.4Very high35 Ų3561.4 Ų61.419%0.18730%0.298CS..EExtended strand (participates in β ladder)trans-96.7163.7-177.6-172.929.5000111.9V15 Y16 L18 T79 A81V15-N50 HydrophobicContact CG1-CB 3.57Å; Y16-N50 WeakPolarHBondContact O-CB 3.47Å; Y16-N50 PolarHBondContact O-N 3.48Å; L18-N50 WeakPolarHBondContact CG-O 3.06Å; L18-N50 PolarHBondContact N-O 3.22Å; N50-T79 CarbonylContact C-O 3.57Å; N50-T79 WeakPolarHBondContact CA-O 3.31Å; N50-T79 PolarHBondContact OD1-O 3.48Å; N50-T79 PolarHBondContact OD1-OG1 3.44Å; N50-A81 PolarHBondContact OD1-N 3.19Å
51K98.3Very high95.5Very high83 Ų8358.7 Ų58.736%0.36129%0.292SS..  trans72.239.6-178.4-45.1-176.3-167.6165.80114S17 V19 D53 L54 T79S17-K51 WeakPolarHBondContact OG-CD 3.35Å; S17-K51 WeakPolarHBondContact OG-CE 3.23Å; S17-K51 PolarHBondContact OG-NZ 2.94Å; V19-K51 HydrophobicContact CG2-CD 3.99Å; K51-D53 WeakPolarHBondContact CA-OD1 3.42Å; K51-D53 PolarHBondContact O-N 3.28Å; K51-D53 VanDerWaalsContact O-N 3.09Å; K51-L54 HydrophobicContact CB-CD1 4.22Å; K51-L54 HydrophobicContact CB-CG 4.47Å; K51-L54 HydrophobicContact CD-CD1 4.1Å; K51-L54 PolarHBondContact O-N 3.46Å; K51-T79 PolarHBondContact N-O 2.99Å
52V98.1Very high96.8Very high39 Ų3950.7 Ų50.724%0.23626%0.257CS..G310 helixtrans-61.1-15.8173.274.20000112.9L18 L54 E78 T79L18-V52 HydrophobicContact CD1-CB 3.87Å; L18-V52 HydrophobicContact CD1-CG2 4.18Å; V52-L54 PolarHBondContact O-N 3.25Å; V52-E78 HydrophobicContact CB-CB 4.5Å; V52-E78 HydrophobicContact CG2-CB 4.46Å; V52-T79 PolarHBondContact N-O 2.93Å
53D98.3Very high97.6Very high55 Ų5547.1 Ų47.129%0.29425%0.25SS..G310 helixtrans-67-12.7171.360.5-73.5000114.2K51 S80 K82K51-D53 WeakPolarHBondContact CA-OD1 3.42Å; K51-D53 PolarHBondContact O-N 3.28Å; K51-D53 VanDerWaalsContact O-N 3.09Å; D53-S80 VanDerWaalsContact CG-OG 3.24Å; D53-S80 VanDerWaalsContact OD1-CB 3.27Å; D53-S80 WeakPolarHBondContact OD1-CB 3.42Å; D53-S80 PolarHBondContact OD1-OG 3Å; D53-K82 WeakPolarHBondContact OD2-CD 3.47Å; D53-K82 IonicContact OD2-NZ 2.7Å
54L97.8Very high98Very high44 Ų4449 Ų4923%0.2326%0.258CS..G310 helixtrans-106.839.9178.5-58.4178.7000112V19 K51 V52 P56 E57V19-L54 HydrophobicContact CG1-CB 3.6Å; V19-L54 HydrophobicContact CG1-CD1 4.3Å; V19-L54 WeakPolarHBondContact CG1-O 3.08Å; V19-L54 HydrophobicContact CG2-CD1 4.03Å; K51-L54 HydrophobicContact CB-CD1 4.22Å; K51-L54 HydrophobicContact CB-CG 4.47Å; K51-L54 HydrophobicContact CD-CD1 4.1Å; K51-L54 PolarHBondContact O-N 3.46Å; V52-L54 PolarHBondContact O-N 3.25Å; L54-P56 VanDerWaalsContact C-N 3.31Å; L54-E57 HydrophobicContact CB-CB 4.48Å; L54-E57 PolarHBondContact O-N 3.33Å
55E96.9Very high98.1Very high95 Ų9548.3 Ų48.344%0.44425%0.253SS..G310 helixtrans-49.1-40.1-179.7-16463.1-151.200114.8E57 R58E55-E57 PolarHBondContact O-N 3.12Å; E55-R58 VanDerWaalsContact CD-NE 3.31Å; E55-R58 VanDerWaalsContact O-CB 3.24Å; E55-R58 WeakPolarHBondContact O-CB 3.27Å; E55-R58 PolarHBondContact O-N 3.29Å; E55-R58 VanDerWaalsContact O-N 3.15Å; E55-R58 IonicContact OE1-CZ 3.8Å; E55-R58 IonicContact OE1-NE 2.83Å; E55-R58 PolarHBondContact OE1-NE 3.42Å; E55-R58 IonicContact OE1-NH2 3.65Å; E55-R58 PolarHBondContact OE1-NH2 2.85Å; E55-R58 IonicContact OE2-CZ 3.45Å; E55-R58 IonicContact OE2-NE 2.73Å; E55-R58 PolarHBondContact OE2-NE 3.2Å; E55-R58 IonicContact OE2-NH2 3.35Å; E55-R58 PolarHBondContact OE2-NH2 3.44Å
56P98Very high98.3Very high128 Ų12854.5 Ų54.583%0.83128%0.275SS*.G310 helixtrans-65-19.9177.8-22.235.3000114.7L54L54-P56 VanDerWaalsContact C-N 3.31Å
57E98.3Very high98.3Very high121 Ų12157.2 Ų57.257%0.56530%0.297SS*.G310 helixtrans-101.410.8179.9-64.3172.3-123.600111.5V19 L54 E55 E59V19-E57 HydrophobicContact CB-CB 4.15Å; V19-E57 WeakPolarHBondContact CB-O 3.24Å; V19-E57 HydrophobicContact CG1-CB 3.69Å; V19-E57 WeakPolarHBondContact CG1-O 3.49Å; L54-E57 HydrophobicContact CB-CB 4.48Å; L54-E57 PolarHBondContact O-N 3.33Å; E55-E57 PolarHBondContact O-N 3.12Å; E57-E59 PolarHBondContact O-N 2.83Å
58R98.5Very high98.3Very high35 Ų3557.6 Ų57.613%0.13230%0.299CS..  trans-60.4124.8-175.6-179.9-178.3-72.7-93.87.3111.3E55 V60 S62 E78E55-R58 VanDerWaalsContact CD-NE 3.31Å; E55-R58 VanDerWaalsContact O-CB 3.24Å; E55-R58 WeakPolarHBondContact O-CB 3.27Å; E55-R58 PolarHBondContact O-N 3.29Å; E55-R58 VanDerWaalsContact O-N 3.15Å; E55-R58 IonicContact OE1-CZ 3.8Å; E55-R58 IonicContact OE1-NE 2.83Å; E55-R58 PolarHBondContact OE1-NE 3.42Å; E55-R58 IonicContact OE1-NH2 3.65Å; E55-R58 PolarHBondContact OE1-NH2 2.85Å; E55-R58 IonicContact OE2-CZ 3.45Å; E55-R58 IonicContact OE2-NE 2.73Å; E55-R58 PolarHBondContact OE2-NE 3.2Å; E55-R58 IonicContact OE2-NH2 3.35Å; E55-R58 PolarHBondContact OE2-NH2 3.44Å; R58-V60 WeakPolarHBondContact CD-O 3.46Å; R58-V60 WeakPolarHBondContact CG-O 3.37Å; R58-V60 PolarHBondContact NH1-O 3.37Å; R58-S62 PolarHBondContact NH1-OG 2.9Å; R58-E78 IonicContact CZ-OE1 2.74Å; R58-E78 IonicContact CZ-OE2 2.88Å; R58-E78 IonicContact NH1-OE1 3.42Å; R58-E78 PolarHBondContact NH1-OE1 2.91Å; R58-E78 IonicContact NH1-OE2 3.64Å; R58-E78 IonicContact NH2-OE1 3.28Å; R58-E78 IonicContact NH2-OE2 3.71Å; R58-E78 PolarHBondContact NH2-OE2 3.3Å
59E98.4Very high98.3Very high106 Ų10657.7 Ų57.750%0.49530%0.301SS..  trans-105.2-31.3172.9-63.5-177.2-178.300111.8L18 N20 Q21 E57L18-E59 PolarHBondContact O-N 2.73Å; N20-E59 VanDerWaalsContact CA-OE2 3.31Å; N20-E59 WeakPolarHBondContact CA-OE2 3.41Å; Q21-E59 HydrophobicContact CB-CB 4.42Å; Q21-E59 PolarHBondContact N-OE2 2.63Å; Q21-E59 PolarHBondContact OE1-O 3.16Å; E57-E59 PolarHBondContact O-N 2.83Å
60V98.4Very high98.2Very high0 Ų065.6 Ų65.60%034%0.337CS..SBendtrans-107.8121.8-178.7-172.90000110.4Y16 L18 F24 R58 E64Y16-V60 HydrophobicContact CD2-CG2 4.25Å; Y16-V60 HydrophobicContact CE2-CB 3.86Å; Y16-V60 HydrophobicContact CE2-CG1 3.6Å; Y16-V60 HydrophobicContact CE2-CG2 4.02Å; L18-V60 PolarHBondContact O-N 3.4Å; F24-V60 HydrophobicContact CB-CG1 4.46Å; F24-V60 HydrophobicContact CB-CG2 3.78Å; F24-V60 HydrophobicContact CD1-CG1 4.08Å; F24-V60 HydrophobicContact CD2-CG1 4.05Å; F24-V60 HydrophobicContact CE1-CG1 4.3Å; F24-V60 HydrophobicContact CE2-CG1 4.27Å; F24-V60 HydrophobicContact CG-CG1 3.95Å; F24-V60 HydrophobicContact CG-CG2 4.17Å; F24-V60 HydrophobicContact CZ-CG1 4.39Å; R58-V60 WeakPolarHBondContact CD-O 3.46Å; R58-V60 WeakPolarHBondContact CG-O 3.37Å; R58-V60 PolarHBondContact NH1-O 3.37Å; V60-E64 HydrophobicContact CG1-CB 4.24Å
61M98.4Very high98.1Very high97 Ų9770.3 Ų70.348%0.47836%0.358SS..  trans-75.2144.8178.6-62.2-63.6149.200111.4S63 E64 G65M61-S63 WeakPolarHBondContact CB-OG 3.36Å; M61-S63 PolarHBondContact O-N 2.91Å; M61-S63 VanDerWaalsContact O-N 3.12Å; M61-E64 HydrophobicContact CB-CG 4.23Å; M61-E64 WeakPolarHBondContact CB-OE2 3.32Å; M61-E64 PolarHBondContact N-OE2 2.83Å; M61-E64 WeakPolarHBondContact O-CB 3.48Å; M61-E64 PolarHBondContact O-N 2.91Å; M61-G65 PolarHBondContact O-N 3.5Å
62S97.9Very high98Very high25 Ų2567.5 Ų67.518%0.17535%0.345CS..Hα-helixtrans-59.6-26.6176.2-47.60000112.9R58 R66 E78R58-S62 PolarHBondContact NH1-OG 2.9Å; S62-R66 WeakPolarHBondContact O-CB 3.39Å; S62-R66 WeakPolarHBondContact O-CG 3.26Å; S62-R66 PolarHBondContact O-N 2.92Å; S62-R66 PolarHBondContact O-NE 2.79Å; S62-E78 WeakPolarHBondContact CA-OE1 3.43Å; S62-E78 WeakPolarHBondContact CB-OE1 3.43Å; S62-E78 VanDerWaalsContact OG-CD 3.25Å; S62-E78 PolarHBondContact OG-OE1 3.39Å; S62-E78 PolarHBondContact OG-OE2 3.06Å
63S98.4Very high97.8Very high70 Ų7069.1 Ų69.149%0.4937%0.37SS..Hα-helixtrans-65.4-37.7173.547.40000112.6M61 R66 A67M61-S63 WeakPolarHBondContact CB-OG 3.36Å; M61-S63 PolarHBondContact O-N 2.91Å; M61-S63 VanDerWaalsContact O-N 3.12Å; S63-R66 PolarHBondContact O-N 3.39Å; S63-A67 VanDerWaalsContact O-CB 3.31Å; S63-A67 WeakPolarHBondContact O-CB 3.26Å; S63-A67 PolarHBondContact O-N 3.24Å
64E98.4Very high97.7Very high69 Ų6967.5 Ų67.532%0.32236%0.363SS..Hα-helixtrans-66.8-45.8177.5-64.3174.288.800110.8F24 V60 M61 A67 L68F24-E64 HydrophobicContact CE1-CB 4.16Å; F24-E64 HydrophobicContact CZ-CB 4.09Å; V60-E64 HydrophobicContact CG1-CB 4.24Å; M61-E64 HydrophobicContact CB-CG 4.23Å; M61-E64 WeakPolarHBondContact CB-OE2 3.32Å; M61-E64 PolarHBondContact N-OE2 2.83Å; M61-E64 WeakPolarHBondContact O-CB 3.48Å; M61-E64 PolarHBondContact O-N 2.91Å; E64-A67 PolarHBondContact O-N 3.5Å; E64-L68 WeakPolarHBondContact O-CB 3.31Å; E64-L68 PolarHBondContact O-N 3.19Å
65G98.3Very high97.7Very high0 Ų066.8 Ų66.80%036%0.361CS..Hα-helixtrans-60.2-45.4174.600000112.4M61 L68 A69M61-G65 PolarHBondContact O-N 3.5Å; G65-L68 PolarHBondContact O-N 2.95Å; G65-A69 WeakPolarHBondContact O-CB 3.43Å; G65-A69 PolarHBondContact O-N 3.16Å
66R98.6Very high97.7Very high143 Ų14364.2 Ų64.254%0.5435%0.348SS..Hα-helixtrans-61.5-45.2175.7-79.9-172.5-73-95.23112.7S62 S63 L68 A69 Q70 F76S62-R66 WeakPolarHBondContact O-CB 3.39Å; S62-R66 WeakPolarHBondContact O-CG 3.26Å; S62-R66 PolarHBondContact O-N 2.92Å; S62-R66 PolarHBondContact O-NE 2.79Å; S63-R66 PolarHBondContact O-N 3.39Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L68 PolarHBondContact O-N 2.84Å; R66-A69 PolarHBondContact O-N 2.98Å; R66-Q70 WeakPolarHBondContact O-CB 3.15Å; R66-Q70 PolarHBondContact O-N 3.06Å; R66-F76 HydrophobicContact CB-CD1 4.43Å; R66-F76 HydrophobicContact CG-CD1 3.46Å; R66-F76 VanDerWaalsContact CG-CD1 3.46Å; R66-F76 HydrophobicContact CG-CE1 3.89Å; R66-F76 HydrophobicContact CG-CG 4.33Å
67A98.6Very high97.8Very high56 Ų5659.7 Ų59.746%0.46332%0.316SS..Hα-helixtrans-61.9-43.217900000111.3S63 E64 Q70 E71S63-A67 VanDerWaalsContact O-CB 3.31Å; S63-A67 WeakPolarHBondContact O-CB 3.26Å; S63-A67 PolarHBondContact O-N 3.24Å; E64-A67 PolarHBondContact O-N 3.5Å; A67-Q70 PolarHBondContact O-N 3.34Å; A67-E71 PolarHBondContact O-N 3.25Å
68L98.2Very high97.8Very high8 Ų855.7 Ų55.74%0.04230%0.297CS..Hα-helixtrans-66.5-40.7177.8-174.358.5000112.3F24 I27 K28 L47 E64 G65 R66 Q70 E71 W72F24-L68 HydrophobicContact CD2-CD2 4.44Å; F24-L68 HydrophobicContact CE1-CD2 4.45Å; F24-L68 HydrophobicContact CE2-CD2 3.58Å; F24-L68 HydrophobicContact CZ-CB 4.16Å; F24-L68 HydrophobicContact CZ-CD2 3.58Å; I27-L68 HydrophobicContact CD1-CD2 3.57Å; I27-L68 HydrophobicContact CG1-CD2 3.95Å; K28-L68 VanDerWaalsContact CE-CD1 3.42Å; K28-L68 HydrophobicContact CG-CD1 4.41Å; L47-L68 HydrophobicContact CD2-CB 4.2Å; L47-L68 HydrophobicContact CD2-CD2 4.23Å; L47-L68 HydrophobicContact CD2-CG 4.2Å; E64-L68 WeakPolarHBondContact O-CB 3.31Å; E64-L68 PolarHBondContact O-N 3.19Å; G65-L68 PolarHBondContact O-N 2.95Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L68 PolarHBondContact O-N 2.84Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-Q70 PolarHBondContact O-N 3.3Å; L68-E71 WeakPolarHBondContact O-CB 3.29Å; L68-E71 PolarHBondContact O-N 3.01Å; L68-W72 HydrophobicContact CD1-CD2 4.36Å; L68-W72 HydrophobicContact CD1-CZ2 3.92Å; L68-W72 HydrophobicContact CD2-CH2 4.35Å; L68-W72 HydrophobicContact CD2-CZ2 4.11Å; L68-W72 HydrophobicContact CG-CD2 4.26Å; L68-W72 HydrophobicContact CG-CZ2 4.03Å; L68-W72 VanDerWaalsContact O-CG 3.3Å; L68-W72 PolarHBondContact O-N 2.9Å
69A98.1Very high97.8Very high3 Ų354.2 Ų54.23%0.02529%0.293CS..Hα-helixtrans-64.8-37.9175.900000112.4L47 G65 R66 W72 G73 C74 F76L47-A69 HydrophobicContact CB-CB 4.3Å; L47-A69 HydrophobicContact CD2-CB 4.09Å; G65-A69 WeakPolarHBondContact O-CB 3.43Å; G65-A69 PolarHBondContact O-N 3.16Å; R66-A69 PolarHBondContact O-N 2.98Å; A69-W72 CarbonylContact O-C 3.48Å; A69-W72 PolarHBondContact O-N 3.27Å; A69-G73 PolarHBondContact O-N 3.11Å; A69-C74 PolarHBondContact O-N 3.05Å; A69-F76 HydrophobicContact CB-CB 3.61Å; A69-F76 HydrophobicContact CB-CG 4.43Å
70Q97.9Very high97.8Very high165 Ų16549.2 Ų49.277%0.77127%0.269SS*.Hα-helixtrans-64-44.1173.9-177.4179.2-6.300111.5R66 A67 L68 W72 G73R66-Q70 WeakPolarHBondContact O-CB 3.15Å; R66-Q70 PolarHBondContact O-N 3.06Å; A67-Q70 PolarHBondContact O-N 3.34Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-Q70 PolarHBondContact O-N 3.3Å; Q70-W72 PolarHBondContact O-N 3.23Å; Q70-G73 PolarHBondContact O-N 3.02Å; Q70-G73 VanDerWaalsContact O-N 3.13Å
71E96.6Very high97.7Very high134 Ų13452.3 Ų52.363%0.62630%0.295SS*.Hα-helixtrans-56-37.4172.9-173.6-167.214600111.3A67 L68A67-E71 PolarHBondContact O-N 3.25Å; L68-E71 WeakPolarHBondContact O-CB 3.29Å; L68-E71 PolarHBondContact O-N 3.01Å
72W95Very high97.6Very high25 Ų2555.9 Ų55.910%0.09531%0.308CS..Hα-helixtrans-85.5-9.7-179.3-66.4-2.1000114.8L14 I27 K28 R31 L45 L47 L68 A69 Q70 C74L14-W72 HydrophobicContact CD2-CH2 4Å; L14-W72 HydrophobicContact CD2-CZ3 3.82Å; I27-W72 HydrophobicContact CB-CH2 4.29Å; I27-W72 HydrophobicContact CD1-CH2 3.17Å; I27-W72 HydrophobicContact CD1-CZ2 4.07Å; I27-W72 HydrophobicContact CD1-CZ3 3.49Å; I27-W72 VanDerWaalsContact CD1-CZ3 3.49Å; I27-W72 HydrophobicContact CG1-CH2 3.44Å; I27-W72 VanDerWaalsContact CG1-CH2 3.44Å; I27-W72 HydrophobicContact CG1-CZ2 4.1Å; I27-W72 HydrophobicContact CG1-CZ3 4.25Å; K28-W72 HydrophobicContact CG-CZ2 3.84Å; R31-W72 HydrophobicContact CB-CH2 3.57Å; R31-W72 HydrophobicContact CB-CZ2 3.85Å; R31-W72 HydrophobicContact CB-CZ3 4.11Å; R31-W72 HydrophobicContact CG-CD2 4.17Å; R31-W72 HydrophobicContact CG-CE3 4.14Å; R31-W72 HydrophobicContact CG-CH2 3.85Å; R31-W72 HydrophobicContact CG-CZ2 3.98Å; R31-W72 HydrophobicContact CG-CZ3 3.99Å; R31-W72 VanDerWaalsContact CZ-CD1 3.42Å; L45-W72 HydrophobicContact CD2-CE3 4.13Å; L45-W72 HydrophobicContact CD2-CZ3 4.4Å; L47-W72 HydrophobicContact CD1-CZ3 4.26Å; L47-W72 HydrophobicContact CD2-CZ3 4.45Å; L68-W72 HydrophobicContact CD1-CD2 4.36Å; L68-W72 HydrophobicContact CD1-CZ2 3.92Å; L68-W72 HydrophobicContact CD2-CH2 4.35Å; L68-W72 HydrophobicContact CD2-CZ2 4.11Å; L68-W72 HydrophobicContact CG-CD2 4.26Å; L68-W72 HydrophobicContact CG-CZ2 4.03Å; L68-W72 VanDerWaalsContact O-CG 3.3Å; L68-W72 PolarHBondContact O-N 2.9Å; A69-W72 CarbonylContact O-C 3.48Å; A69-W72 PolarHBondContact O-N 3.27Å; Q70-W72 PolarHBondContact O-N 3.23Å; W72-C74 VanDerWaalsContact C-N 3.3Å; W72-C74 PolarHBondContact O-N 2.57Å
73G94.5Very high97.5Very high73 Ų7358.2 Ų58.275%0.75332%0.324SS*.THydrogen-bonded Turntrans63.134.6-174.100000113.2A69 Q70A69-G73 PolarHBondContact O-N 3.11Å; Q70-G73 PolarHBondContact O-N 3.02Å; Q70-G73 VanDerWaalsContact O-N 3.13Å
74C95.7Very high97.4Very high21 Ų2162.8 Ų62.814%0.14234%0.335CS..  trans-124.9159.9-17872.80000112.1L45 A69 W72L45-C74 HydrophobicContact CD2-CB 3.88Å; L45-C74 WeakPolarHBondContact O-CB 3.35Å; A69-C74 PolarHBondContact O-N 3.05Å; W72-C74 VanDerWaalsContact C-N 3.3Å; W72-C74 PolarHBondContact O-N 2.57Å
75P97.8Very high97.3Very high29 Ų2961.5 Ų61.519%0.18833%0.334CS..  trans-66.2155.3173.8-17.130.8000112.4L45 I46 L47 E93 Q97L45-P75 WeakPolarHBondContact O-CD 3.34Å; I46-P75 HydrophobicContact CD1-CB 3.88Å; I46-P75 HydrophobicContact CG1-CB 4.04Å; L47-P75 PolarHBondContact N-O 3.02Å; P75-E93 HydrophobicContact CB-CG 4.33Å; P75-E93 HydrophobicContact CG-CG 4.3Å; P75-E93 WeakPolarHBondContact CG-OE1 3.41Å; P75-Q97 HydrophobicContact CG-CG 4.22Å
76F98.5Very high97.3Very high40 Ų4066.2 Ų66.218%0.17536%0.357CS..EExtended strand (participates in β ladder)trans-125.5136.3173.2175.6-113.7000110.8Y16 L47 R66 A69 E78Y16-F76 HydrophobicContact CE1-CE2 4.13Å; Y16-F76 WeakPolarHBondContact OH-CE2 3.45Å; L47-F76 HydrophobicContact CB-CD2 4.24Å; L47-F76 HydrophobicContact CD2-CD2 4.18Å; L47-F76 HydrophobicContact CG-CD2 3.89Å; L47-F76 HydrophobicContact CG-CE2 4.38Å; L47-F76 VanDerWaalsContact O-CA 3.31Å; L47-F76 WeakPolarHBondContact O-CA 3.43Å; R66-F76 HydrophobicContact CB-CD1 4.43Å; R66-F76 HydrophobicContact CG-CD1 3.46Å; R66-F76 VanDerWaalsContact CG-CD1 3.46Å; R66-F76 HydrophobicContact CG-CE1 3.89Å; R66-F76 HydrophobicContact CG-CG 4.33Å; A69-F76 HydrophobicContact CB-CB 3.61Å; A69-F76 HydrophobicContact CB-CG 4.43Å; F76-E78 HydrophobicContact CE1-CG 3.84Å; F76-E78 HydrophobicContact CE2-CG 4.44Å; F76-E78 HydrophobicContact CZ-CG 3.52Å
77M98.6Very high97.2Very high34 Ų3460.9 Ų60.917%0.16734%0.34CS..EExtended strand (participates in β ladder)trans-137.6146172.3-69.5-179.2175.800111I46 L47 V48 G49 E89 L90 E93I46-M77 HydrophobicContact CD1-CE 4.2Å; I46-M77 HydrophobicContact CD1-CG 4.05Å; I46-M77 HydrophobicContact CD1-SD 3.8Å; L47-M77 PolarHBondContact O-N 2.7Å; V48-M77 CarbonylContact C-O 3.42Å; V48-M77 VanDerWaalsContact CA-O 3.26Å; V48-M77 WeakPolarHBondContact CA-O 3.38Å; G49-M77 PolarHBondContact N-O 2.83Å; M77-E89 HydrophobicContact CE-CG 3.82Å; M77-E89 HydrophobicContact SD-CG 4.39Å; M77-L90 HydrophobicContact SD-CB 4.07Å; M77-L90 HydrophobicContact SD-CD1 4.42Å; M77-E93 HydrophobicContact CE-CB 3.67Å; M77-E93 HydrophobicContact CE-CG 3.81Å
78E98.6Very high97.2Very high36 Ų3664.7 Ų64.717%0.16835%0.353CS..EExtended strand (participates in β ladder)trans-102.8135164.2-68-169.9171.200109.7L18 G49 V52 R58 S62 F76L18-E78 HydrophobicContact CD1-CB 4.41Å; L18-E78 HydrophobicContact CD1-CG 4.2Å; L18-E78 HydrophobicContact CD2-CG 4.32Å; L18-E78 WeakPolarHBondContact CD2-OE1 3.21Å; G49-E78 CarbonylContact O-C 3.43Å; G49-E78 WeakPolarHBondContact O-CA 3.37Å; V52-E78 HydrophobicContact CB-CB 4.5Å; V52-E78 HydrophobicContact CG2-CB 4.46Å; R58-E78 IonicContact CZ-OE1 2.74Å; R58-E78 IonicContact CZ-OE2 2.88Å; R58-E78 IonicContact NH1-OE1 3.42Å; R58-E78 PolarHBondContact NH1-OE1 2.91Å; R58-E78 IonicContact NH1-OE2 3.64Å; R58-E78 IonicContact NH2-OE1 3.28Å; R58-E78 IonicContact NH2-OE2 3.71Å; R58-E78 PolarHBondContact NH2-OE2 3.3Å; S62-E78 WeakPolarHBondContact CA-OE1 3.43Å; S62-E78 WeakPolarHBondContact CB-OE1 3.43Å; S62-E78 VanDerWaalsContact OG-CD 3.25Å; S62-E78 PolarHBondContact OG-OE1 3.39Å; S62-E78 PolarHBondContact OG-OE2 3.06Å; F76-E78 HydrophobicContact CE1-CG 3.84Å; F76-E78 HydrophobicContact CE2-CG 4.44Å; F76-E78 HydrophobicContact CZ-CG 3.52Å
79T98.6Very high97.1Very high5 Ų569.2 Ų69.23%0.03137%0.374CS..EExtended strand (participates in β ladder)trans-133.1161.3-173.461.60000111.4V48 G49 N50 K51 V52 S85 M86 L90V48-T79 HydrophobicContact CG1-CG2 3.78Å; V48-T79 VanDerWaalsContact CG1-OG1 3.26Å; V48-T79 WeakPolarHBondContact CG1-OG1 3.4Å; G49-T79 PolarHBondContact O-N 2.86Å; N50-T79 CarbonylContact C-O 3.57Å; N50-T79 WeakPolarHBondContact CA-O 3.31Å; N50-T79 PolarHBondContact OD1-O 3.48Å; N50-T79 PolarHBondContact OD1-OG1 3.44Å; K51-T79 PolarHBondContact N-O 2.99Å; V52-T79 PolarHBondContact N-O 2.93Å; T79-S85 WeakPolarHBondContact CA-O 3.32Å; T79-S85 WeakPolarHBondContact CB-O 3.49Å; T79-M86 HydrophobicContact CG2-CB 4.01Å; T79-L90 HydrophobicContact CG2-CB 4.36Å; T79-L90 HydrophobicContact CG2-CD2 4.09Å
80S98.3Very high97.1Very high0 Ų069.6 Ų69.60%038%0.375CS..BIsolated β-bridgetrans-131.2112.6161.5172.10000109D53 K82 S83 K84 S85D53-S80 VanDerWaalsContact CG-OG 3.24Å; D53-S80 VanDerWaalsContact OD1-CB 3.27Å; D53-S80 WeakPolarHBondContact OD1-CB 3.42Å; D53-S80 PolarHBondContact OD1-OG 3Å; S80-K82 PolarHBondContact O-N 2.9Å; S80-K82 PolarHBondContact OG-N 2.8Å; S80-S83 VanDerWaalsContact CB-OG 3.24Å; S80-S83 WeakPolarHBondContact CB-OG 3.46Å; S80-S83 PolarHBondContact OG-N 2.93Å; S80-S83 VanDerWaalsContact OG-N 3.16Å; S80-S83 PolarHBondContact OG-OG 2.95Å; S80-K84 CarbonylContact O-C 3.53Å; S80-K84 VanDerWaalsContact O-CA 3.23Å; S80-K84 WeakPolarHBondContact O-CA 3.48Å; S80-K84 PolarHBondContact O-N 2.96Å; S80-S85 PolarHBondContact N-O 3.31Å; S80-S85 PolarHBondContact O-N 3.21Å
81A97Very high97.1Very high66 Ų6667.2 Ų67.255%0.54536%0.363SS..THydrogen-bonded Turntrans-61.4-30.3170.500000112.2N50N50-A81 PolarHBondContact OD1-N 3.19Å
82K97.1Very high97.1Very high171 Ų17163.4 Ų63.474%0.74335%0.354SS*.THydrogen-bonded Turntrans-68.2-46.9-178.9-175.7-169.8-176.8-179.80111.8D53 S80D53-K82 WeakPolarHBondContact OD2-CD 3.47Å; D53-K82 IonicContact OD2-NZ 2.7Å; S80-K82 PolarHBondContact O-N 2.9Å; S80-K82 PolarHBondContact OG-N 2.8Å
83S95.9Very high97.2Very high75 Ų7563 Ų6352%0.52435%0.353SS..THydrogen-bonded Turntrans-94.42.517964.40000113.6S80 S85S80-S83 VanDerWaalsContact CB-OG 3.24Å; S80-S83 WeakPolarHBondContact CB-OG 3.46Å; S80-S83 PolarHBondContact OG-N 2.93Å; S80-S83 VanDerWaalsContact OG-N 3.16Å; S80-S83 PolarHBondContact OG-OG 2.95Å; S83-S85 PolarHBondContact O-N 3.01Å
84K95.3Very high97.3Very high166 Ų16660 Ų6072%0.72232%0.32SS*.THydrogen-bonded Turntrans56.321-170.7-58.9-177.3178-178.40113.9S80 M86S80-K84 CarbonylContact O-C 3.53Å; S80-K84 VanDerWaalsContact O-CA 3.23Å; S80-K84 WeakPolarHBondContact O-CA 3.48Å; S80-K84 PolarHBondContact O-N 2.96Å; K84-M86 PolarHBondContact O-N 3.13Å
85S96.9Very high97.3Very high41 Ų4162.4 Ų62.429%0.28733%0.334SS..BIsolated β-bridgetrans-67.3123.7177.8-172.70000110.7T79 S80 S83 V87T79-S85 WeakPolarHBondContact CA-O 3.32Å; T79-S85 WeakPolarHBondContact CB-O 3.49Å; S80-S85 PolarHBondContact N-O 3.31Å; S80-S85 PolarHBondContact O-N 3.21Å; S83-S85 PolarHBondContact O-N 3.01Å; S85-V87 PolarHBondContact O-N 3.14Å; S85-V87 VanDerWaalsContact O-N 3.11Å
86M97.3Very high97.1Very high99 Ų9965.9 Ų65.949%0.48834%0.343SS..THydrogen-bonded Turntrans5915.4177.3-58-48.886.800115.7T79 K84 L90T79-M86 HydrophobicContact CG2-CB 4.01Å; K84-M86 PolarHBondContact O-N 3.13Å; M86-L90 VanDerWaalsContact O-CB 3.25Å; M86-L90 WeakPolarHBondContact O-CB 3.21Å; M86-L90 PolarHBondContact O-N 3.38Å
87V97.4Very high96.7Very high32 Ų3266 Ų6619%0.19434%0.344CS..Hα-helixtrans-69.8-45178.7178.60000111S85 L90 F91S85-V87 PolarHBondContact O-N 3.14Å; S85-V87 VanDerWaalsContact O-N 3.11Å; V87-L90 WeakPolarHBondContact O-CB 3.34Å; V87-L90 PolarHBondContact O-N 2.66Å; V87-F91 HydrophobicContact CG1-CD2 3.99Å; V87-F91 HydrophobicContact CG1-CE2 3.8Å; V87-F91 WeakPolarHBondContact O-CD2 3.39Å; V87-F91 PolarHBondContact O-N 2.95Å
88D97.1Very high96.4Very high135 Ų13567 Ų6772%0.72235%0.349SS*.Hα-helixtrans-66.7-42.8-179.3-63.5-30.1000111.6L90 F91 A92D88-L90 VanDerWaalsContact C-N 3.33Å; D88-L90 PolarHBondContact O-N 3.09Å; D88-F91 PolarHBondContact O-N 3.15Å; D88-A92 PolarHBondContact O-N 3.48Å
89E97.8Very high95.9Very high104 Ų10469.9 Ų69.949%0.48637%0.366SS..Hα-helixtrans-61.9-40.7176.2-173.860.3-154.600111.6M77 F91 A92 E93M77-E89 HydrophobicContact CE-CG 3.82Å; M77-E89 HydrophobicContact SD-CG 4.39Å; E89-F91 PolarHBondContact O-N 3.05Å; E89-A92 PolarHBondContact O-N 3.4Å; E89-E93 WeakPolarHBondContact O-CB 3.41Å; E89-E93 PolarHBondContact O-N 2.96Å
90L98Very high94.8Very high10 Ų1076.3 Ų76.35%0.05239%0.39CS..Hα-helixtrans-56.8-47.9174.3165.761.6000111.9I13 I46 V48 M77 T79 M86 V87 D88 E93 I94I13-L90 HydrophobicContact CD1-CD1 4.39Å; I13-L90 HydrophobicContact CD1-CD2 4.49Å; I13-L90 HydrophobicContact CD1-CG 4.27Å; I13-L90 HydrophobicContact CG2-CD1 4.07Å; I13-L90 HydrophobicContact CG2-CD2 4.12Å; I46-L90 HydrophobicContact CD1-CD1 3.71Å; I46-L90 HydrophobicContact CG1-CD1 4.07Å; I46-L90 HydrophobicContact CG2-CD1 3.64Å; V48-L90 HydrophobicContact CG1-CD2 4.16Å; V48-L90 HydrophobicContact CG2-CD1 3.4Å; V48-L90 VanDerWaalsContact CG2-CD1 3.4Å; V48-L90 HydrophobicContact CG2-CD2 3.86Å; V48-L90 HydrophobicContact CG2-CG 4.28Å; M77-L90 HydrophobicContact SD-CB 4.07Å; M77-L90 HydrophobicContact SD-CD1 4.42Å; T79-L90 HydrophobicContact CG2-CB 4.36Å; T79-L90 HydrophobicContact CG2-CD2 4.09Å; M86-L90 VanDerWaalsContact O-CB 3.25Å; M86-L90 WeakPolarHBondContact O-CB 3.21Å; M86-L90 PolarHBondContact O-N 3.38Å; V87-L90 WeakPolarHBondContact O-CB 3.34Å; V87-L90 PolarHBondContact O-N 2.66Å; D88-L90 VanDerWaalsContact C-N 3.33Å; D88-L90 PolarHBondContact O-N 3.09Å; L90-E93 PolarHBondContact O-N 3.11Å; L90-I94 PolarHBondContact O-N 3.23Å; L90-I94 VanDerWaalsContact O-N 3.12Å
91F97.1Very high93.2Very high115 Ų11579.2 Ų79.250%0.50441%0.411SS..Hα-helixtrans-69.4-36.3179.3-78-70.3000112.3I13 V87 D88 E89 I94 V95I13-F91 HydrophobicContact CD1-CD1 4Å; I13-F91 HydrophobicContact CD1-CE1 3.71Å; I13-F91 HydrophobicContact CD1-CZ 4.34Å; V87-F91 HydrophobicContact CG1-CD2 3.99Å; V87-F91 HydrophobicContact CG1-CE2 3.8Å; V87-F91 WeakPolarHBondContact O-CD2 3.39Å; V87-F91 PolarHBondContact O-N 2.95Å; D88-F91 PolarHBondContact O-N 3.15Å; E89-F91 PolarHBondContact O-N 3.05Å; F91-I94 WeakPolarHBondContact O-CG2 3.34Å; F91-V95 VanDerWaalsContact O-CG2 3.32Å; F91-V95 WeakPolarHBondContact O-CG2 3.24Å; F91-V95 PolarHBondContact O-N 3.33Å
92A97.3Very high91.4Very high54 Ų5480.3 Ų80.345%0.44641%0.414SS..Hα-helixtrans-62.7-43.8173.500000111.5D88 E89 V95 R96D88-A92 PolarHBondContact O-N 3.48Å; E89-A92 PolarHBondContact O-N 3.4Å; A92-V95 PolarHBondContact O-N 3.29Å; A92-R96 WeakPolarHBondContact O-CB 3.42Å; A92-R96 PolarHBondContact O-N 3.09Å
93E96.5Very high89.2Confident17 Ų1777.4 Ų77.48%0.07941%0.407CS..Hα-helixtrans-65.4-43.7-178.5176.757-160.600112.4I46 P75 M77 E89 L90 V95 R96 Q97I46-E93 HydrophobicContact CD1-CB 4.16Å; I46-E93 HydrophobicContact CD1-CG 3.63Å; P75-E93 HydrophobicContact CB-CG 4.33Å; P75-E93 HydrophobicContact CG-CG 4.3Å; P75-E93 WeakPolarHBondContact CG-OE1 3.41Å; M77-E93 HydrophobicContact CE-CB 3.67Å; M77-E93 HydrophobicContact CE-CG 3.81Å; E89-E93 WeakPolarHBondContact O-CB 3.41Å; E89-E93 PolarHBondContact O-N 2.96Å; L90-E93 PolarHBondContact O-N 3.11Å; E93-V95 VanDerWaalsContact C-N 3.3Å; E93-V95 PolarHBondContact O-N 3.26Å; E93-R96 VanDerWaalsContact CD-NH2 3.27Å; E93-R96 WeakPolarHBondContact O-CB 3.33Å; E93-R96 PolarHBondContact O-N 2.83Å; E93-R96 VanDerWaalsContact O-N 3.16Å; E93-R96 IonicContact OE1-CZ 3.3Å; E93-R96 IonicContact OE1-NE 2.73Å; E93-R96 IonicContact OE1-NH2 3.02Å; E93-R96 PolarHBondContact OE1-NH2 2.88Å; E93-R96 IonicContact OE2-CZ 3.72Å; E93-R96 VanDerWaalsContact OE2-CZ 3.3Å; E93-R96 IonicContact OE2-NE 3.47Å; E93-R96 PolarHBondContact OE2-NE 2.95Å; E93-R96 IonicContact OE2-NH2 3.59Å; E93-R96 PolarHBondContact OE2-NH2 2.64Å; E93-Q97 WeakPolarHBondContact O-CG 3.2Å; E93-Q97 PolarHBondContact O-N 3.35Å; E93-Q97 PolarHBondContact OE1-NE2 3.02Å
94I96.2Very high87Confident9 Ų979.1 Ų79.15%0.04642%0.416CS..Hα-helixtrans-65.9-35.2178-168.156.9000111.7I13 P44 I46 L90 F91 R96 Q97 M98I13-I94 HydrophobicContact CD1-CG2 4.15Å; I13-I94 HydrophobicContact CG1-CB 4.36Å; I13-I94 HydrophobicContact CG1-CG1 4.22Å; I13-I94 HydrophobicContact CG1-CG2 4.32Å; P44-I94 HydrophobicContact CB-CD1 4.42Å; I46-I94 HydrophobicContact CG2-CB 4.2Å; I46-I94 HydrophobicContact CG2-CD1 4.05Å; I46-I94 HydrophobicContact CG2-CG1 4.39Å; L90-I94 PolarHBondContact O-N 3.23Å; L90-I94 VanDerWaalsContact O-N 3.12Å; F91-I94 WeakPolarHBondContact O-CG2 3.34Å; I94-R96 VanDerWaalsContact C-N 3.34Å; I94-Q97 HydrophobicContact CD1-CB 4.42Å; I94-Q97 PolarHBondContact O-N 2.78Å; I94-M98 WeakPolarHBondContact O-CG 3.31Å; I94-M98 PolarHBondContact O-N 3.16Å
95V95.5Very high85Confident72 Ų7278.2 Ų78.244%0.43641%0.414SS..Hα-helixtrans-64-42.6173.2172.60000110.7F91 A92 E93 Q97 M98 N99F91-V95 VanDerWaalsContact O-CG2 3.32Å; F91-V95 WeakPolarHBondContact O-CG2 3.24Å; F91-V95 PolarHBondContact O-N 3.33Å; A92-V95 PolarHBondContact O-N 3.29Å; E93-V95 VanDerWaalsContact C-N 3.3Å; E93-V95 PolarHBondContact O-N 3.26Å; V95-Q97 PolarHBondContact O-N 2.99Å; V95-M98 HydrophobicContact CB-CE 4.3Å; V95-M98 HydrophobicContact CG2-CE 3.89Å; V95-M98 PolarHBondContact O-N 2.99Å; V95-N99 PolarHBondContact O-N 2.95Å; V95-N99 VanDerWaalsContact O-N 3.1Å; V95-N99 PolarHBondContact O-ND2 2.85Å
96R93.9Very high82.6Confident103 Ų10385.5 Ų85.539%0.38944%0.441SS..Hα-helixtrans-58-48.7174.6-169.8-177.674.784.75.4111.3A92 E93 I94 M98 N99 Y100A92-R96 WeakPolarHBondContact O-CB 3.42Å; A92-R96 PolarHBondContact O-N 3.09Å; E93-R96 VanDerWaalsContact CD-NH2 3.27Å; E93-R96 WeakPolarHBondContact O-CB 3.33Å; E93-R96 PolarHBondContact O-N 2.83Å; E93-R96 VanDerWaalsContact O-N 3.16Å; E93-R96 IonicContact OE1-CZ 3.3Å; E93-R96 IonicContact OE1-NE 2.73Å; E93-R96 IonicContact OE1-NH2 3.02Å; E93-R96 PolarHBondContact OE1-NH2 2.88Å; E93-R96 IonicContact OE2-CZ 3.72Å; E93-R96 VanDerWaalsContact OE2-CZ 3.3Å; E93-R96 IonicContact OE2-NE 3.47Å; E93-R96 PolarHBondContact OE2-NE 2.95Å; E93-R96 IonicContact OE2-NH2 3.59Å; E93-R96 PolarHBondContact OE2-NH2 2.64Å; I94-R96 VanDerWaalsContact C-N 3.34Å; R96-M98 VanDerWaalsContact C-N 3.33Å; R96-M98 PolarHBondContact O-N 3.49Å; R96-N99 PolarHBondContact O-N 3.48Å; R96-N99 VanDerWaalsContact O-N 3.14Å; R96-Y100 HydrophobicContact CG-CD2 3.77Å; R96-Y100 HydrophobicContact CG-CE2 3.39Å; R96-Y100 WeakPolarHBondContact O-CD2 3.49Å; R96-Y100 PolarHBondContact O-N 3.29Å
97Q91.3Very high80Confident43 Ų4389 Ų8920%0.20146%0.456CS..Hα-helixtrans-58.1-41.5177.2-70.1-67.9-19.500113.1P44 P75 E93 I94 V95 N99 Y100 S101P44-Q97 HydrophobicContact CB-CB 4.2Å; P75-Q97 HydrophobicContact CG-CG 4.22Å; E93-Q97 WeakPolarHBondContact O-CG 3.2Å; E93-Q97 PolarHBondContact O-N 3.35Å; E93-Q97 PolarHBondContact OE1-NE2 3.02Å; I94-Q97 HydrophobicContact CD1-CB 4.42Å; I94-Q97 PolarHBondContact O-N 2.78Å; V95-Q97 PolarHBondContact O-N 2.99Å; Q97-N99 VanDerWaalsContact C-N 3.33Å; Q97-N99 PolarHBondContact O-N 3.26Å; Q97-Y100 PolarHBondContact O-N 2.95Å; Q97-S101 PolarHBondContact O-N 3.35Å; Q97-S101 PolarHBondContact O-OG 3.5Å; Q97-S101 VanDerWaalsContact O-OG 3.07Å
98M91.4Very high77.6Confident53 Ų5395 Ų9526%0.26149%0.487SS..Hα-helixtrans-62.1-40176.1-72.1-174.2-7200111.9Q10 G11 P44 I94 V95 R96Q10-M98 HydrophobicContact CB-SD 3.69Å; Q10-M98 WeakPolarHBondContact O-CG 3.42Å; G11-M98 PolarHBondContact N-SD 3.36Å; G11-M98 VanDerWaalsContact N-SD 3.4Å; P44-M98 HydrophobicContact CB-CB 4.5Å; P44-M98 HydrophobicContact CB-CG 3.73Å; P44-M98 HydrophobicContact CG-CG 4.09Å; I94-M98 WeakPolarHBondContact O-CG 3.31Å; I94-M98 PolarHBondContact O-N 3.16Å; V95-M98 HydrophobicContact CB-CE 4.3Å; V95-M98 HydrophobicContact CG2-CE 3.89Å; V95-M98 PolarHBondContact O-N 2.99Å; R96-M98 VanDerWaalsContact C-N 3.33Å; R96-M98 PolarHBondContact O-N 3.49Å
99N87.6Confident75.2Confident98 Ų9896 Ų9652%0.52449%0.487SS..Hα-helixtrans-69.9-39.7179-67.8-20.5000112.5V95 R96 Q97 S101 S102V95-N99 PolarHBondContact O-N 2.95Å; V95-N99 VanDerWaalsContact O-N 3.1Å; V95-N99 PolarHBondContact O-ND2 2.85Å; R96-N99 PolarHBondContact O-N 3.48Å; R96-N99 VanDerWaalsContact O-N 3.14Å; Q97-N99 VanDerWaalsContact C-N 3.33Å; Q97-N99 PolarHBondContact O-N 3.26Å; N99-S101 VanDerWaalsContact C-N 3.31Å; N99-S101 PolarHBondContact O-N 3Å; N99-S102 PolarHBondContact O-N 2.82Å; N99-S102 PolarHBondContact O-OG 2.97Å
100Y75.4Confident72.8Confident139 Ų13996 Ų9655%0.54550%0.498SS..Hα-helixtrans-65.4-34177.3-80.9-73.8000113.1R96 Q97 S102 L103R96-Y100 HydrophobicContact CG-CD2 3.77Å; R96-Y100 HydrophobicContact CG-CE2 3.39Å; R96-Y100 WeakPolarHBondContact O-CD2 3.49Å; R96-Y100 PolarHBondContact O-N 3.29Å; Q97-Y100 PolarHBondContact O-N 2.95Å; Y100-S102 PolarHBondContact O-N 3.32Å; Y100-L103 HydrophobicContact CD1-CD1 4.22Å; Y100-L103 PolarHBondContact O-N 3.12Å
101S65.3Low70.5Confident61 Ų6199.9 Ų99.943%0.42752%0.524SS..THydrogen-bonded Turntrans-72.2-13178.7-59.10000113.2Q97 N99Q97-S101 PolarHBondContact O-N 3.35Å; Q97-S101 PolarHBondContact O-OG 3.5Å; Q97-S101 VanDerWaalsContact O-OG 3.07Å; N99-S101 VanDerWaalsContact C-N 3.31Å; N99-S101 PolarHBondContact O-N 3Å
102S59.6Low68.5Low89 Ų89100.8 Ų100.862%0.62254%0.539SS*.THydrogen-bonded Turntrans-89.9-9.4176.673.10000113.9N99 Y100N99-S102 PolarHBondContact O-N 2.82Å; N99-S102 PolarHBondContact O-OG 2.97Å; Y100-S102 PolarHBondContact O-N 3.32Å
103L50.9Low66.6Low111 Ų111103.8 Ų103.858%0.58155%0.552SS**SBendtrans-81.6130176.8-67.5169.8000109.3Y100 E105Y100-L103 HydrophobicContact CD1-CD1 4.22Å; Y100-L103 PolarHBondContact O-N 3.12Å; L103-E105 PolarHBondContact O-N 3Å
104P49.6Very low64.2Low110 Ų110109 Ų10971%0.71459%0.59SS**  trans-58.8130.8170.623.3-29.5000108.2K106P104-K106 PolarHBondContact O-N 3.49Å
105E53.2Low62.5Low148 Ų148114 Ų11469%0.69262%0.62SS**  trans-51.6114.4169-68.1-171.115000106.7K42 L103 Q107K42-E105 IonicContact NZ-OE1 3.55Å; K42-E105 PolarHBondContact NZ-OE1 2.9Å; L103-E105 PolarHBondContact O-N 3Å; E105-Q107 VanDerWaalsContact C-N 3.31Å; E105-Q107 PolarHBondContact O-N 3.37Å
106K45.3Very low60.2Low194 Ų194117.5 Ų117.584%0.84364%0.641SS**  trans-60.6104.6169.2-75.9-174.5176.7-178.50104.9P104 D108P104-K106 PolarHBondContact O-N 3.49Å; K106-D108 PolarHBondContact O-N 3.21Å
107Q43.3Very low57.8Low172 Ų172124.5 Ų124.580%0.80468%0.678SS**  trans-55.2111.4160.3-84.1179.9-2.300105E105 Q109E105-Q107 VanDerWaalsContact C-N 3.31Å; E105-Q107 PolarHBondContact O-N 3.37Å; Q107-Q109 PolarHBondContact O-N 2.74Å
108D48.3Very low56.1Low158 Ų158128.6 Ų128.685%0.84570%0.702SS**  trans-62.182.3158.8-77.4-35.5000106K106 C110K106-D108 PolarHBondContact O-N 3.21Å; D108-C110 PolarHBondContact O-N 3.15Å
109Q45.9Very low54.3Low156 Ų156132.6 Ų132.673%0.72973%0.725SS**  trans-70.281.2165.6-167167.738.500105Q107 C111Q107-Q109 PolarHBondContact O-N 2.74Å; Q109-C111 PolarHBondContact O-N 3.28Å
110C47Very low52.4Low105 Ų105134.5 Ų134.571%0.70974%0.737SS**  trans-62.193.9160.8-173.10000105.9D108 T112D108-C110 PolarHBondContact O-N 3.15Å; C110-T112 VanDerWaalsContact C-N 3.32Å; C110-T112 PolarHBondContact O-N 2.73Å
111C49.6Very low51.1Low90 Ų90134.2 Ų134.261%0.60875%0.748SS**  trans-59.595.3168.7-75.20000108.2Q109 T113Q109-C111 PolarHBondContact O-N 3.28Å; C111-T113 PolarHBondContact O-N 3.35Å; C111-T113 VanDerWaalsContact O-N 3.16Å
112T55.5Low50.2Low134 Ų134138.8 Ų138.882%0.82277%0.768SS**  trans-7825.2163.232.20000112.3C110C110-T112 VanDerWaalsContact C-N 3.32Å; C110-T112 PolarHBondContact O-N 2.73Å
113T58.1Low49.5Very low118 Ų118142.1 Ų142.172%0.72478%0.778SS**  trans-11074.1167.6-42.80000110C111C111-T113 PolarHBondContact O-N 3.35Å; C111-T113 VanDerWaalsContact O-N 3.16Å
114C45.9Very low49.4Very low127 Ų127144.4 Ų144.486%0.85879%0.792SS**  trans-127.3105.2149.5-76.90000108.2
115V59.3Low49.4Very low112 Ų112147 Ų14768%0.67980%0.798SS**  trans-64.9141.8179179.60000110.8
116V47.4Very low49.1Very low146 Ų146146.9 Ų146.989%0.88581%0.807SS**  trans-144.6130.5131.8-156.50000108.5
117Q43.8Very low49.5Very low251 Ų251142.6 Ų142.6100%1.17380%0.803SS**  trans-60.30171.9-66.5172.5-80.300112.5

Retrieved 117 of 117 residues in 181.6 ms (Link to these results)

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