G4VH02_SCHMA Loading...

Putative rad1 DNA damage checkpoint protein

AlphaFold DB , UniProt , Accession G4VH02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 311 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
1M44.9Very low86.1Confident244 Ų24468.4 Ų68.4100%1.20236%0.362SS*.  0240-76.5-162.6-7700113.6
2M56.8Low86.6Confident175 Ų17570.6 Ų70.686%0.86237%0.374SS*.  trans-125.97.5-166.1-76.6-158.1-17800118.1G4 K66M2-G4 PolarHBondContact O-N 3.2Å; M2-K66 PolarHBondContact O-NZ 2.81Å
3D76.7Confident87.1Confident171 Ų17168.3 Ų68.391%0.91436%0.362SS*.  trans-103.832.3-170.1-148.322.2000115.8
4G87.9Confident87.5Confident38 Ų3863.4 Ų63.439%0.39234%0.336SS..  trans-75.4161.516700000113.4M2 K66M2-G4 PolarHBondContact O-N 3.2Å; G4-K66 VanDerWaalsContact C-NZ 3.29Å; G4-K66 VanDerWaalsContact O-CE 3.29Å; G4-K66 WeakPolarHBondContact O-CE 3.41Å; G4-K66 PolarHBondContact O-NZ 2.98Å
5P96.3Very high87.7Confident30 Ų3060 Ų6020%0.19532%0.317CS..  trans-66.3162.3175.233.5-40.6000112.4I7 Y8 K66 Y101 K102P5-I7 VanDerWaalsContact C-N 3.35Å; P5-I7 WeakPolarHBondContact CB-O 3.45Å; P5-Y8 HydrophobicContact CG-CD2 4.24Å; P5-Y8 HydrophobicContact CG-CG 4.4Å; P5-K66 VanDerWaalsContact O-CD 3.29Å; P5-K66 WeakPolarHBondContact O-CD 3.33Å; P5-K66 WeakPolarHBondContact O-CE 3.46Å; P5-Y101 WeakPolarHBondContact CB-O 3.21Å; P5-K102 HydrophobicContact CB-CG 4.4Å
6L96.9Very high87.8Confident23 Ų2357.1 Ų57.112%0.1230%0.302CS..SBendtrans-62.7-39.8173.7-77.1-178.8000112.8V65 K66 K67 Y101 K102L6-V65 WeakPolarHBondContact O-CA 3.23Å; L6-K66 HydrophobicContact CD2-CB 4.28Å; L6-K66 PolarHBondContact O-N 2.83Å; L6-K67 HydrophobicContact CD2-CD 4.27Å; L6-K67 HydrophobicContact CD2-CG 4.18Å; L6-Y101 WeakPolarHBondContact CA-O 3.44Å; L6-Y101 HydrophobicContact CB-CD1 4.13Å; L6-Y101 WeakPolarHBondContact CB-O 3.21Å; L6-Y101 HydrophobicContact CD1-CD1 4.37Å; L6-Y101 HydrophobicContact CD1-CE1 4.18Å; L6-Y101 PolarHBondContact N-O 3.06Å; L6-K102 WeakPolarHBondContact CG-O 3.47Å; L6-K102 PolarHBondContact N-O 3.41Å
7I98.1Very high88.1Confident2 Ų254.1 Ų54.11%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-127133.3171.7-54.8161.8000107.4P5 A34 S64 V65 V70 F72 L99 S100 Y101P5-I7 VanDerWaalsContact C-N 3.35Å; P5-I7 WeakPolarHBondContact CB-O 3.45Å; I7-A34 HydrophobicContact CD1-CB 3.5Å; I7-A34 HydrophobicContact CG1-CB 3.89Å; I7-A34 HydrophobicContact CG2-CB 4.49Å; I7-S64 WeakPolarHBondContact CA-O 3.46Å; I7-V65 HydrophobicContact CG1-CG1 4.35Å; I7-V70 HydrophobicContact CD1-CB 3.98Å; I7-V70 HydrophobicContact CD1-CG1 3.73Å; I7-V70 HydrophobicContact CG1-CB 4.15Å; I7-V70 HydrophobicContact CG1-CG1 4.14Å; I7-V70 HydrophobicContact CG1-CG2 4.4Å; I7-F72 HydrophobicContact CD1-CE1 3.61Å; I7-F72 HydrophobicContact CD1-CZ 4.41Å; I7-L99 HydrophobicContact CG2-CD2 4.4Å; I7-S100 WeakPolarHBondContact O-CA 3.26Å; I7-Y101 HydrophobicContact CD1-CD1 4Å; I7-Y101 HydrophobicContact CD1-CG 4.39Å; I7-Y101 HydrophobicContact CG1-CD1 4.4Å; I7-Y101 PolarHBondContact N-O 2.92Å; I7-Y101 VanDerWaalsContact N-O 3.1Å; I7-Y101 PolarHBondContact O-N 2.96Å
8Y98.3Very high88.4Confident59 Ų5951.1 Ų51.123%0.23127%0.271CS..EExtended strand (participates in β ladder)trans-137134.2168176.9-89.7000109.1P5 A10 E62 Y63 S64 I98 L99P5-Y8 HydrophobicContact CG-CD2 4.24Å; P5-Y8 HydrophobicContact CG-CG 4.4Å; Y8-A10 HydrophobicContact CE1-CB 4.45Å; Y8-E62 HydrophobicContact CD1-CB 4.34Å; Y8-E62 HydrophobicContact CE1-CB 3.78Å; Y8-E62 WeakPolarHBondContact CE1-OE2 3.41Å; Y8-E62 PolarHBondContact OH-OE2 3.35Å; Y8-Y63 CarbonylContact O-C 3.59Å; Y8-Y63 WeakPolarHBondContact O-CA 3.34Å; Y8-S64 PolarHBondContact N-O 2.69Å; Y8-S64 PolarHBondContact O-N 2.8Å; Y8-I98 HydrophobicContact CD2-CG2 4.38Å; Y8-I98 HydrophobicContact CE2-CG2 3.73Å; Y8-L99 WeakPolarHBondContact CA-O 3.39Å
9L98.1Very high88.4Confident3 Ų351.1 Ų51.12%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-143.5151170.262.288.1000111.2I39 F60 E62 Y63 F97 I98 L99L9-I39 HydrophobicContact CD2-CD1 3.26Å; L9-F60 HydrophobicContact CB-CD1 3.9Å; L9-F60 HydrophobicContact CB-CE1 4.31Å; L9-F60 HydrophobicContact CB-CG 4.22Å; L9-F60 HydrophobicContact CD1-CD1 3.75Å; L9-F60 HydrophobicContact CD1-CE1 3.73Å; L9-F60 HydrophobicContact CD2-CD1 4.29Å; L9-F60 HydrophobicContact CD2-CE1 3.84Å; L9-F60 HydrophobicContact CD2-CZ 4.2Å; L9-F60 HydrophobicContact CG-CD1 4.19Å; L9-F60 HydrophobicContact CG-CE1 4.18Å; L9-E62 CarbonylContact C-O 3.5Å; L9-E62 WeakPolarHBondContact CA-O 3.37Å; L9-Y63 HydrophobicContact CB-CD2 3.91Å; L9-Y63 HydrophobicContact CB-CE2 4.49Å; L9-Y63 HydrophobicContact CD2-CE2 4.41Å; L9-F97 HydrophobicContact CD1-CD1 3.91Å; L9-F97 HydrophobicContact CD1-CE1 3.37Å; L9-F97 HydrophobicContact CD1-CZ 3.95Å; L9-I98 VanDerWaalsContact O-CA 3.32Å; L9-I98 WeakPolarHBondContact O-CA 3.23Å; L9-L99 HydrophobicContact CD1-CB 3.74Å; L9-L99 HydrophobicContact CD2-CB 4.33Å; L9-L99 HydrophobicContact CD2-CD2 4.21Å; L9-L99 HydrophobicContact CG-CB 3.87Å; L9-L99 HydrophobicContact CG-CD2 4.4Å; L9-L99 PolarHBondContact N-O 3.5Å; L9-L99 PolarHBondContact O-N 3.01Å
10A97.9Very high88.6Confident1 Ų148.6 Ų48.61%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-137.1139.2171.500000110.1Y8 F60 R61 E62 F97 I98Y8-A10 HydrophobicContact CE1-CB 4.45Å; A10-F60 CarbonylContact O-C 3.49Å; A10-F60 WeakPolarHBondContact O-CA 3.5Å; A10-F60 WeakPolarHBondContact O-CB 3.44Å; A10-R61 PolarHBondContact O-N 2.82Å; A10-E62 HydrophobicContact CB-CB 4.06Å; A10-E62 PolarHBondContact N-O 3.1Å; A10-E62 PolarHBondContact O-N 3Å; A10-F97 CarbonylContact C-O 3.5Å; A10-F97 VanDerWaalsContact CA-O 3.24Å; A10-F97 WeakPolarHBondContact CA-O 3.28Å; A10-I98 HydrophobicContact CB-CG1 3.99Å
11M95Very high89Confident6 Ų646.5 Ų46.53%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-137.6155.3171.370.2-178.85700110.9A14 I17 F60 F97M11-A14 VanDerWaalsContact SD-CA 3.6Å; M11-I17 HydrophobicContact CE-CB 4.44Å; M11-I17 HydrophobicContact CE-CD1 3.87Å; M11-I17 HydrophobicContact CE-CG1 4.06Å; M11-I17 HydrophobicContact CE-CG2 3.55Å; M11-I17 HydrophobicContact SD-CD1 4.19Å; M11-I17 HydrophobicContact SD-CG1 3.97Å; M11-I17 HydrophobicContact SD-CG2 4.07Å; M11-F60 HydrophobicContact CB-CD1 4.35Å; M11-F60 HydrophobicContact CE-CD1 3.27Å; M11-F60 HydrophobicContact CE-CE1 3.1Å; M11-F60 HydrophobicContact CE-CG 4.48Å; M11-F60 HydrophobicContact CE-CZ 4.21Å; M11-F97 HydrophobicContact CE-CD1 3.65Å; M11-F97 HydrophobicContact CE-CE1 3.95Å; M11-F97 HydrophobicContact CG-CB 3.76Å; M11-F97 HydrophobicContact CG-CD1 3.66Å; M11-F97 HydrophobicContact CG-CG 4.2Å; M11-F97 PolarHBondContact N-O 2.92Å; M11-F97 PolarHBondContact O-N 2.82Å; M11-F97 HydrophobicContact SD-CB 4.39Å; M11-F97 HydrophobicContact SD-CD1 3.61Å; M11-F97 HydrophobicContact SD-CE1 4.4Å; M11-F97 HydrophobicContact SD-CG 4.46Å
12D92.4Very high91.3Very high95 Ų9537.6 Ų37.651%0.50820%0.201SC..SBendtrans-79.7-21.1-178.3-58.6-42.9000112.8R61 I95D12-R61 IonicContact OD1-CZ 3.53Å; D12-R61 IonicContact OD1-NH1 2.66Å; D12-R61 PolarHBondContact OD1-NH1 3.19Å; D12-I95 CarbonylContact C-O 3.54Å; D12-I95 CarbonylContact O-C 3.38Å
13N92.6Very high93.1Very high41 Ų4129.4 Ų29.422%0.21916%0.161CC..  trans-144.698.1-178-170.28.7000113.5K15 V16 P94 I95N13-K15 PolarHBondContact O-N 2.73Å; N13-K15 VanDerWaalsContact O-N 3.08Å; N13-K15 WeakPolarHBondContact OD1-CB 3.33Å; N13-K15 WeakPolarHBondContact OD1-CG 3.15Å; N13-K15 PolarHBondContact OD1-N 3.07Å; N13-V16 HydrophobicContact CB-CG2 4.42Å; N13-V16 PolarHBondContact O-N 3.49Å; N13-P94 HydrophobicContact CB-CB 4.14Å; N13-I95 CarbonylContact C-O 3.57Å; N13-I95 VanDerWaalsContact CA-O 3.23Å; N13-I95 WeakPolarHBondContact CA-O 3.41Å
14A93.8Very high94.1Very high0 Ų021.3 Ų21.30%012%0.118CC..THydrogen-bonded Turntrans-54.4-28.6177.400000113.9M11 V16 I17 I18 I95 F97 L112M11-A14 VanDerWaalsContact SD-CA 3.6Å; A14-V16 PolarHBondContact O-N 2.73Å; A14-V16 VanDerWaalsContact O-N 3.14Å; A14-I17 WeakPolarHBondContact O-CG1 3.31Å; A14-I17 PolarHBondContact O-N 3.02Å; A14-I17 VanDerWaalsContact O-N 3.15Å; A14-I18 WeakPolarHBondContact O-CG1 3.23Å; A14-I18 PolarHBondContact O-N 3.22Å; A14-I95 HydrophobicContact CB-CB 4.17Å; A14-I95 HydrophobicContact CB-CG2 4.19Å; A14-I95 PolarHBondContact N-O 3.28Å; A14-F97 HydrophobicContact CB-CB 3.72Å; A14-F97 HydrophobicContact CB-CG 4.32Å; A14-L112 HydrophobicContact CB-CD2 3.97Å
15K90.6Very high94.5Very high12 Ų1220.9 Ų20.95%0.05211%0.106CC..Hα-helixtrans-58.9-29.7-175.3-62.7175.4179.7176.60112.9N13 I17 I18 S89 G92 P93 I95N13-K15 PolarHBondContact O-N 2.73Å; N13-K15 VanDerWaalsContact O-N 3.08Å; N13-K15 WeakPolarHBondContact OD1-CB 3.33Å; N13-K15 WeakPolarHBondContact OD1-CG 3.15Å; N13-K15 PolarHBondContact OD1-N 3.07Å; K15-I17 PolarHBondContact O-N 3.5Å; K15-I18 PolarHBondContact O-N 2.76Å; K15-S89 WeakPolarHBondContact CD-O 3.26Å; K15-S89 WeakPolarHBondContact CE-O 3.22Å; K15-S89 PolarHBondContact NZ-O 3.07Å; K15-G92 PolarHBondContact NZ-O 3Å; K15-P93 WeakPolarHBondContact CE-O 3.49Å; K15-P93 PolarHBondContact NZ-O 3.13Å; K15-I95 HydrophobicContact CD-CD1 4.42Å; K15-I95 VanDerWaalsContact CE-CD1 3.46Å; K15-I95 HydrophobicContact CG-CD1 4.09Å
16V89Confident94.4Very high13 Ų1320.6 Ų20.68%0.07910%0.101CC..Hα-helixtrans-58.4-48.5178.3178.50000110.6N13 A14 L254N13-V16 HydrophobicContact CB-CG2 4.42Å; N13-V16 PolarHBondContact O-N 3.49Å; A14-V16 PolarHBondContact O-N 2.73Å; A14-V16 VanDerWaalsContact O-N 3.14Å; V16-L254 HydrophobicContact CG1-CB 4.49Å; V16-L254 HydrophobicContact CG1-CD1 3.72Å; V16-L254 HydrophobicContact CG1-CD2 4.14Å; V16-L254 HydrophobicContact CG1-CG 4.33Å
17I92.3Very high94.4Very high6 Ų624.3 Ų24.33%0.03111%0.114CC..Hα-helixtrans-81.5-26.8-176.663.4159000113.4M11 A14 K15 N19 I20 L21 L55 L83 F97M11-I17 HydrophobicContact CE-CB 4.44Å; M11-I17 HydrophobicContact CE-CD1 3.87Å; M11-I17 HydrophobicContact CE-CG1 4.06Å; M11-I17 HydrophobicContact CE-CG2 3.55Å; M11-I17 HydrophobicContact SD-CD1 4.19Å; M11-I17 HydrophobicContact SD-CG1 3.97Å; M11-I17 HydrophobicContact SD-CG2 4.07Å; A14-I17 WeakPolarHBondContact O-CG1 3.31Å; A14-I17 PolarHBondContact O-N 3.02Å; A14-I17 VanDerWaalsContact O-N 3.15Å; K15-I17 PolarHBondContact O-N 3.5Å; I17-N19 VanDerWaalsContact C-N 3.25Å; I17-N19 PolarHBondContact O-N 3.38Å; I17-I20 PolarHBondContact O-N 3.43Å; I17-I20 VanDerWaalsContact O-N 3.17Å; I17-L21 HydrophobicContact CD1-CD1 4.43Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 2.77Å; I17-L55 HydrophobicContact CB-CD1 4.15Å; I17-L55 HydrophobicContact CB-CD2 4.47Å; I17-L55 HydrophobicContact CG2-CD1 3.87Å; I17-L55 HydrophobicContact CG2-CD2 3.97Å; I17-L83 HydrophobicContact CD1-CD1 3.85Å; I17-L83 HydrophobicContact CD1-CD2 4.36Å; I17-L83 HydrophobicContact CG1-CD1 4.36Å; I17-F97 HydrophobicContact CD1-CD1 3.94Å; I17-F97 HydrophobicContact CD1-CE1 3.45Å; I17-F97 VanDerWaalsContact CD1-CE1 3.45Å; I17-F97 HydrophobicContact CD1-CZ 4.16Å
18I93.1Very high94.3Very high0 Ų029.1 Ų29.10%014%0.14CC..Hα-helixtrans-56.7-43.8-179.7-68.8169000110.7A14 K15 L21 K22 L83 T88A14-I18 WeakPolarHBondContact O-CG1 3.23Å; A14-I18 PolarHBondContact O-N 3.22Å; K15-I18 PolarHBondContact O-N 2.76Å; I18-L21 PolarHBondContact O-N 3.15Å; I18-K22 HydrophobicContact CG2-CD 3.93Å; I18-K22 HydrophobicContact CG2-CG 4.34Å; I18-K22 WeakPolarHBondContact O-CB 3.46Å; I18-K22 VanDerWaalsContact O-CG 3.28Å; I18-K22 WeakPolarHBondContact O-CG 3.2Å; I18-K22 PolarHBondContact O-N 3.05Å; I18-L83 HydrophobicContact CD1-CB 3.85Å; I18-L83 WeakPolarHBondContact CD1-O 3.38Å; I18-L83 HydrophobicContact CG1-CB 3.58Å; I18-L83 HydrophobicContact CG1-CD1 4.28Å; I18-T88 HydrophobicContact CD1-CG2 4.12Å; I18-T88 HydrophobicContact CG2-CG2 3.89Å
19N88.9Confident94.2Very high52 Ų5229.1 Ų29.128%0.27814%0.143SC..Hα-helixtrans-64.6-43.3-179.7-77.2-13.4000111.8I17 K22 A23 M232I17-N19 VanDerWaalsContact C-N 3.25Å; I17-N19 PolarHBondContact O-N 3.38Å; N19-K22 PolarHBondContact O-N 2.89Å; N19-A23 PolarHBondContact O-N 3.44Å; N19-A23 VanDerWaalsContact O-N 3.08Å; N19-M232 HydrophobicContact CB-CE 3.45Å; N19-M232 VanDerWaalsContact CB-CE 3.45Å; N19-M232 WeakPolarHBondContact O-CE 3.47Å
20I93.3Very high94.1Very high1 Ų129 Ų291%0.00514%0.143CC..Hα-helixtrans-63.3-44.6177.6-57.5170000110.5I17 A23 A53 L55 L254 A260 V262I17-I20 PolarHBondContact O-N 3.43Å; I17-I20 VanDerWaalsContact O-N 3.17Å; I20-A23 WeakPolarHBondContact O-CB 3.47Å; I20-A23 PolarHBondContact O-N 2.78Å; I20-A53 HydrophobicContact CG2-CB 3.58Å; I20-L55 HydrophobicContact CB-CD2 4.14Å; I20-L55 HydrophobicContact CD1-CD2 3.42Å; I20-L55 VanDerWaalsContact CD1-CD2 3.42Å; I20-L55 HydrophobicContact CG1-CD2 4.39Å; I20-L55 HydrophobicContact CG2-CD2 3.85Å; I20-L254 HydrophobicContact CD1-CD1 4.39Å; I20-L254 HydrophobicContact CD1-CD2 3.97Å; I20-L254 HydrophobicContact CG1-CD2 4Å; I20-A260 HydrophobicContact CD1-CB 3.46Å; I20-A260 VanDerWaalsContact CD1-CB 3.46Å; I20-A260 HydrophobicContact CG1-CB 3.68Å; I20-V262 HydrophobicContact CG2-CG2 4.08Å
21L95.8Very high94.1Very high4 Ų429.3 Ų29.32%0.02114%0.144CC..Hα-helixtrans-65.3-39.7177.6-65.8178.4000112.1I17 I18 A23 V24 H25 V41 L76 L79 V80 L83I17-L21 HydrophobicContact CD1-CD1 4.43Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 2.77Å; I18-L21 PolarHBondContact O-N 3.15Å; L21-A23 VanDerWaalsContact C-N 3.27Å; L21-A23 PolarHBondContact O-N 3.09Å; L21-V24 WeakPolarHBondContact O-CG2 3.16Å; L21-V24 PolarHBondContact O-N 3.1Å; L21-H25 WeakPolarHBondContact O-CB 3.25Å; L21-H25 PolarHBondContact O-N 2.99Å; L21-H25 VanDerWaalsContact O-N 3.15Å; L21-V41 HydrophobicContact CD2-CB 4.22Å; L21-V41 HydrophobicContact CD2-CG1 4.13Å; L21-V41 HydrophobicContact CD2-CG2 3.71Å; L21-L76 HydrophobicContact CB-CD1 4.24Å; L21-L76 HydrophobicContact CD2-CD1 4.15Å; L21-L79 HydrophobicContact CD1-CD2 4.19Å; L21-L79 HydrophobicContact CD1-CG 4.36Å; L21-V80 HydrophobicContact CB-CG2 3.81Å; L21-L83 HydrophobicContact CD1-CD1 3.53Å
22K94.2Very high94.2Very high58 Ų5829.5 Ų29.525%0.25215%0.146SC..Hα-helixtrans-61.3-35.3175.2-80.1177.4178.1179.80112.5I18 N19 V24 H25 V80 R228I18-K22 HydrophobicContact CG2-CD 3.93Å; I18-K22 HydrophobicContact CG2-CG 4.34Å; I18-K22 WeakPolarHBondContact O-CB 3.46Å; I18-K22 VanDerWaalsContact O-CG 3.28Å; I18-K22 WeakPolarHBondContact O-CG 3.2Å; I18-K22 PolarHBondContact O-N 3.05Å; N19-K22 PolarHBondContact O-N 2.89Å; K22-V24 VanDerWaalsContact C-N 3.31Å; K22-V24 PolarHBondContact O-N 3.49Å; K22-H25 PolarHBondContact O-N 3.04Å; K22-V80 HydrophobicContact CD-CG1 4.39Å; K22-V80 HydrophobicContact CG-CG1 3.76Å; K22-R228 WeakPolarHBondContact O-CD 3.3Å
23A94.7Very high94.4Very high3 Ų326.4 Ų26.43%0.02513%0.127CC..Hα-helixtrans-63.9-34.1179.900000112.8N19 I20 L21 A229 M232 I252 V262N19-A23 PolarHBondContact O-N 3.44Å; N19-A23 VanDerWaalsContact O-N 3.08Å; I20-A23 WeakPolarHBondContact O-CB 3.47Å; I20-A23 PolarHBondContact O-N 2.78Å; L21-A23 VanDerWaalsContact C-N 3.27Å; L21-A23 PolarHBondContact O-N 3.09Å; A23-A229 HydrophobicContact CB-CB 4.11Å; A23-M232 HydrophobicContact CB-SD 4.04Å; A23-I252 HydrophobicContact CB-CD1 3.76Å; A23-V262 HydrophobicContact CB-CG1 4.39Å; A23-V262 HydrophobicContact CB-CG2 3.98Å
24V96.3Very high94.7Very high0 Ų024.4 Ų24.40%012%0.117CC..Hα-helixtrans-96.1-0.8176.5-64.20000114.1L21 K22 F26 V41 V43 A53 L76 V262 F264L21-V24 WeakPolarHBondContact O-CG2 3.16Å; L21-V24 PolarHBondContact O-N 3.1Å; K22-V24 VanDerWaalsContact C-N 3.31Å; K22-V24 PolarHBondContact O-N 3.49Å; V24-F26 WeakPolarHBondContact O-CD1 3.25Å; V24-F26 PolarHBondContact O-N 3.44Å; V24-V41 HydrophobicContact CG2-CG1 4.33Å; V24-V43 HydrophobicContact CB-CG2 4.5Å; V24-V43 WeakPolarHBondContact O-CG2 3.42Å; V24-A53 HydrophobicContact CG1-CB 3.88Å; V24-A53 HydrophobicContact CG2-CB 3.94Å; V24-L76 HydrophobicContact CG2-CD2 4.3Å; V24-V262 HydrophobicContact CG1-CB 4.49Å; V24-V262 HydrophobicContact CG1-CG1 3.33Å; V24-V262 HydrophobicContact CG1-CG2 4.44Å; V24-F264 HydrophobicContact CG1-CZ 4.39Å
25H96.5Very high94.9Very high30 Ų3025.6 Ų25.614%0.13912%0.124CC..  trans-82.175.8-176.9-177.8-150.5000112.4L21 K22 R27 L76 G77 R228L21-H25 WeakPolarHBondContact O-CB 3.25Å; L21-H25 PolarHBondContact O-N 2.99Å; L21-H25 VanDerWaalsContact O-N 3.15Å; K22-H25 PolarHBondContact O-N 3.04Å; H25-R27 PolarHBondContact CD2-O 2.81Å; H25-R27 VanDerWaalsContact CD2-O 3.32Å; H25-L76 HydrophobicContact CB-CD2 3.74Å; H25-L76 HydrophobicContact CB-CG 4.17Å; H25-G77 WeakPolarHBondContact CE1-CA 3.41Å; H25-G77 WeakPolarHBondContact NE2-CA 3.37Å; H25-G77 PolarHBondContact NE2-N 3.06Å; H25-R228 PolarHBondContact ND1-NH1 3.24Å; H25-R228 PolarHBondContact O-NH1 3.4Å
26F95.2Very high95.2Very high24 Ų2429.6 Ų29.611%0.10515%0.146CC..SBendtrans-109.4-6.9173.764.2-90.5000114.1V24 V43 D45 I49 L224 F264V24-F26 WeakPolarHBondContact O-CD1 3.25Å; V24-F26 PolarHBondContact O-N 3.44Å; F26-V43 HydrophobicContact CD1-CB 4.31Å; F26-V43 HydrophobicContact CD1-CG1 4.04Å; F26-V43 HydrophobicContact CD2-CG1 4.21Å; F26-V43 HydrophobicContact CE1-CB 3.66Å; F26-V43 HydrophobicContact CE1-CG1 3.68Å; F26-V43 HydrophobicContact CE2-CG1 3.89Å; F26-V43 HydrophobicContact CG-CG1 4.29Å; F26-V43 HydrophobicContact CZ-CB 3.85Å; F26-V43 HydrophobicContact CZ-CG1 3.63Å; F26-V43 WeakPolarHBondContact CZ-O 3.4Å; F26-D45 HydrophobicContact CD2-CB 4.33Å; F26-D45 HydrophobicContact CE2-CB 3.76Å; F26-I49 HydrophobicContact CE2-CG2 4.05Å; F26-I49 HydrophobicContact CZ-CG1 4.44Å; F26-L224 HydrophobicContact CB-CB 4.01Å; F26-L224 HydrophobicContact CB-CD2 4.33Å; F26-L224 HydrophobicContact CD2-CB 3.96Å; F26-L224 HydrophobicContact CD2-CD1 3.96Å; F26-L224 HydrophobicContact CD2-CG 4.44Å; F26-L224 HydrophobicContact CG-CB 4.05Å; F26-F264 AromaticContact CD1-CE1 3.71Å; F26-F264 HydrophobicContact CD1-CE1 3.71Å; F26-F264 HydrophobicContact CD1-CZ 4.36Å; F26-F264 HydrophobicContact CE1-CD1 4.26Å; F26-F264 AromaticContact CE1-CE1 3.54Å; F26-F264 HydrophobicContact CE1-CE1 3.54Å; F26-F264 HydrophobicContact CE1-CZ 4.45Å; F26-F264 HydrophobicContact CZ-CE1 4.46Å
27R95.9Very high95.5Very high100 Ų10032.7 Ų32.738%0.37716%0.162SC..SBendtrans-140.8155168.8-67.2-70.1175.1-110.58.4109.5H25 L29 V43 D45H25-R27 PolarHBondContact CD2-O 2.81Å; H25-R27 VanDerWaalsContact CD2-O 3.32Å; R27-L29 VanDerWaalsContact C-N 3.35Å; R27-L29 PolarHBondContact O-N 2.77Å; R27-V43 HydrophobicContact CB-CG1 3.68Å; R27-V43 HydrophobicContact CG-CG1 4.35Å; R27-D45 HydrophobicContact CG-CB 3.98Å; R27-D45 IonicContact CZ-OD1 2.95Å; R27-D45 IonicContact CZ-OD2 3.33Å; R27-D45 VanDerWaalsContact CZ-OD2 3.29Å; R27-D45 IonicContact NE-OD1 3.44Å; R27-D45 PolarHBondContact NE-OD1 3.35Å; R27-D45 IonicContact NE-OD2 2.65Å; R27-D45 PolarHBondContact NE-OD2 2.86Å; R27-D45 VanDerWaalsContact NH2-CG 3.25Å; R27-D45 IonicContact NH2-OD1 3.29Å; R27-D45 PolarHBondContact NH2-OD1 2.95Å; R27-D45 IonicContact NH2-OD2 3.66Å; R27-D45 PolarHBondContact NH2-OD2 3.1Å
28D95.5Very high95.7Very high104 Ų10432.4 Ų32.456%0.55616%0.161SC*.SBendtrans-66.8-33.7-174.1-63.4-17.9000113.4N75 L76D28-N75 CarbonylContact O-C 3.57Å; D28-N75 VanDerWaalsContact O-CA 3.25Å; D28-N75 WeakPolarHBondContact O-CA 3.27Å; D28-N75 PolarHBondContact O-OD1 2.62Å; D28-L76 PolarHBondContact O-N 3.2Å
29L96.5Very high95.9Very high59 Ų5933.1 Ų33.131%0.30916%0.164SC..EExtended strand (participates in β ladder)trans-101.9125.9-173.4-62.4179.7000111.1R27 T74 N75 M126R27-L29 VanDerWaalsContact C-N 3.35Å; R27-L29 PolarHBondContact O-N 2.77Å; L29-T74 WeakPolarHBondContact CA-O 3.27Å; L29-N75 HydrophobicContact CD2-CB 4.43Å; L29-M126 HydrophobicContact CD1-SD 4.49Å; L29-M126 HydrophobicContact CD2-SD 4.19Å
30A97.4Very high96.2Very high0 Ų033.6 Ų33.60%016%0.164CC..EExtended strand (participates in β ladder)trans-114.2147.4171.800000111I32 V41 T42 V43 R73 T74 L76A30-I32 HydrophobicContact CB-CD1 4.4Å; A30-V41 HydrophobicContact CB-CG1 3.83Å; A30-T42 CarbonylContact C-O 3.38Å; A30-T42 VanDerWaalsContact CA-O 3.3Å; A30-T42 WeakPolarHBondContact CA-O 3.41Å; A30-V43 HydrophobicContact CB-CG2 3.78Å; A30-R73 CarbonylContact O-C 3.55Å; A30-R73 VanDerWaalsContact O-CA 3.22Å; A30-R73 WeakPolarHBondContact O-CA 2.83Å; A30-T74 PolarHBondContact N-O 2.9Å; A30-T74 PolarHBondContact O-N 3Å; A30-L76 HydrophobicContact CB-CB 3.9Å; A30-L76 HydrophobicContact CB-CD1 4.49Å; A30-L76 HydrophobicContact CB-CD2 4.11Å; A30-L76 HydrophobicContact CB-CG 4.4Å
31T97.4Very high96.4Very high7 Ų733.7 Ų33.74%0.04317%0.165CC..EExtended strand (participates in β ladder)trans-94.9124.3165.4-51.60000108.5F33 T42 R73 A128 I131T31-F33 HydrophobicContact CG2-CD2 4.19Å; T31-F33 HydrophobicContact CG2-CE1 4.14Å; T31-F33 HydrophobicContact CG2-CE2 3.42Å; T31-F33 VanDerWaalsContact CG2-CE2 3.42Å; T31-F33 HydrophobicContact CG2-CZ 3.39Å; T31-T42 PolarHBondContact N-O 3.32Å; T31-T42 PolarHBondContact O-N 2.98Å; T31-R73 HydrophobicContact CG2-CG 4.17Å; T31-R73 WeakPolarHBondContact OG1-CG 3.14Å; T31-A128 HydrophobicContact CG2-CB 4.13Å; T31-I131 HydrophobicContact CG2-CG2 4.29Å
32I97.4Very high96.4Very high11 Ų1133.6 Ų33.66%0.05616%0.164CC..EExtended strand (participates in β ladder)trans-100.9132.1177.9-51.2-62000107.9A30 I39 K40 V41 S71 F72 T74A30-I32 HydrophobicContact CB-CD1 4.4Å; I32-I39 HydrophobicContact CG2-CG2 3.62Å; I32-K40 CarbonylContact C-O 3.49Å; I32-K40 WeakPolarHBondContact CA-O 3.44Å; I32-V41 HydrophobicContact CD1-CB 4.03Å; I32-V41 HydrophobicContact CD1-CG1 3.72Å; I32-V41 HydrophobicContact CD1-CG2 3.58Å; I32-S71 WeakPolarHBondContact O-CA 3.39Å; I32-F72 HydrophobicContact CB-CD2 4.24Å; I32-F72 HydrophobicContact CB-CE1 4.24Å; I32-F72 HydrophobicContact CB-CE2 3.65Å; I32-F72 HydrophobicContact CB-CZ 3.66Å; I32-F72 HydrophobicContact CG1-CD2 4.27Å; I32-F72 HydrophobicContact CG1-CE2 3.58Å; I32-F72 HydrophobicContact CG1-CZ 4Å; I32-F72 HydrophobicContact CG2-CE1 4.25Å; I32-F72 HydrophobicContact CG2-CE2 4.18Å; I32-F72 HydrophobicContact CG2-CZ 3.7Å; I32-F72 PolarHBondContact N-O 2.8Å; I32-F72 PolarHBondContact O-N 3.03Å; I32-F72 VanDerWaalsContact O-N 3.16Å; I32-T74 HydrophobicContact CD1-CG2 4.41Å; I32-T74 HydrophobicContact CG1-CG2 4.03Å
33F97Very high96.5Very high29 Ų2930.9 Ų30.913%0.12715%0.152CC..EExtended strand (participates in β ladder)trans-120.8118170.4-56.1-94.5000108.5T31 I39 K40 I131T31-F33 HydrophobicContact CG2-CD2 4.19Å; T31-F33 HydrophobicContact CG2-CE1 4.14Å; T31-F33 HydrophobicContact CG2-CE2 3.42Å; T31-F33 VanDerWaalsContact CG2-CE2 3.42Å; T31-F33 HydrophobicContact CG2-CZ 3.39Å; F33-I39 CarbonylContact O-C 3.58Å; F33-I39 WeakPolarHBondContact O-CA 3.18Å; F33-K40 HydrophobicContact CB-CB 4.26Å; F33-K40 PolarHBondContact N-O 3.07Å; F33-K40 PolarHBondContact O-N 3.27Å; F33-I131 HydrophobicContact CE2-CD1 3.71Å; F33-I131 HydrophobicContact CE2-CG1 4.37Å; F33-I131 HydrophobicContact CE2-CG2 4.09Å; F33-I131 HydrophobicContact CZ-CD1 3.69Å; F33-I131 HydrophobicContact CZ-CG1 3.9Å; F33-I131 HydrophobicContact CZ-CG2 3.84Å
34A97.7Very high96.5Very high0 Ų033.4 Ų33.40%016%0.164CC..EExtended strand (participates in β ladder)trans-108.2132.817500000109.7I7 I39 V65 I69 V70I7-A34 HydrophobicContact CD1-CB 3.5Å; I7-A34 HydrophobicContact CG1-CB 3.89Å; I7-A34 HydrophobicContact CG2-CB 4.49Å; A34-I39 HydrophobicContact CB-CG1 4.22Å; A34-V65 HydrophobicContact CB-CG1 4.36Å; A34-V65 HydrophobicContact CB-CG2 3.96Å; A34-I69 WeakPolarHBondContact O-CA 3.3Å; A34-V70 PolarHBondContact N-O 2.95Å; A34-V70 PolarHBondContact O-N 2.78Å
35T97.6Very high96.4Very high24 Ų2434.5 Ų34.515%0.14717%0.17CC..EExtended strand (participates in β ladder)trans-137.7170.6176.568.90000108.2N37 G38 Y63 I69T35-N37 PolarHBondContact O-N 3.04Å; T35-N37 PolarHBondContact OG1-N 2.91Å; T35-G38 PolarHBondContact N-O 2.9Å; T35-G38 PolarHBondContact O-N 3.03Å; T35-G38 PolarHBondContact OG1-O 2.84Å; T35-Y63 WeakPolarHBondContact O-CE1 3.46Å; T35-Y63 PolarHBondContact O-OH 3.37Å; T35-I69 HydrophobicContact CG2-CG1 4.05Å; T35-I69 HydrophobicContact CG2-CG2 4.4Å
36N97.4Very high95.8Very high97 Ų9736.8 Ų36.852%0.51919%0.189SC..THydrogen-bonded Turntrans-58.5-19.9176.5-69.2-33.1000114.5V65N36-V65 PolarHBondContact OD1-O 2.71Å
37N96Very high95.4Very high78 Ų7843.8 Ų43.842%0.41722%0.219SC..THydrogen-bonded Turntrans-85.6-17-179.9-62.3-16.9000113.3T35 F54 H56 S57 A302T35-N37 PolarHBondContact O-N 3.04Å; T35-N37 PolarHBondContact OG1-N 2.91Å; N37-F54 HydrophobicContact CB-CZ 4.38Å; N37-H56 PolarHBondContact O-CD2 3.42Å; N37-S57 PolarHBondContact O-N 3.35Å; N37-S57 PolarHBondContact O-OG 2.89Å; N37-A302 WeakPolarHBondContact ND2-CB 3.38Å
38G95.9Very high95Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans144.5-170.6-174.900000114.2T35 L55 Y63T35-G38 PolarHBondContact N-O 2.9Å; T35-G38 PolarHBondContact O-N 3.03Å; T35-G38 PolarHBondContact OG1-O 2.84Å; G38-L55 CarbonylContact C-O 3.51Å; G38-L55 WeakPolarHBondContact CA-O 3.42Å; G38-Y63 WeakPolarHBondContact CA-OH 3.42Å; G38-Y63 PolarHBondContact O-OH 2.86Å; G38-Y63 VanDerWaalsContact O-OH 3.05Å
39I96.5Very high94.9Very high14 Ų1435.7 Ų35.77%0.07219%0.185CC..EExtended strand (participates in β ladder)trans-113.2122.8-175.8-62.5179.7000110L9 I32 F33 A34 V41 F54 L55 F60 Y63L9-I39 HydrophobicContact CD2-CD1 3.26Å; I32-I39 HydrophobicContact CG2-CG2 3.62Å; F33-I39 CarbonylContact O-C 3.58Å; F33-I39 WeakPolarHBondContact O-CA 3.18Å; A34-I39 HydrophobicContact CB-CG1 4.22Å; I39-V41 HydrophobicContact CG2-CG2 4.09Å; I39-F54 WeakPolarHBondContact O-CA 3.11Å; I39-L55 HydrophobicContact CB-CB 4.43Å; I39-L55 PolarHBondContact N-O 2.92Å; I39-L55 PolarHBondContact O-N 3.09Å; I39-F60 HydrophobicContact CD1-CZ 4.37Å; I39-Y63 HydrophobicContact CD1-CE2 3.98Å; I39-Y63 HydrophobicContact CG1-CE2 3.83Å; I39-Y63 WeakPolarHBondContact CG1-OH 3.31Å
40K95.9Very high94.8Very high63 Ų6333 Ų3327%0.27417%0.171SC..EExtended strand (participates in β ladder)trans-96.7130166.9-171-179.5177.3-175.30109.6I32 F33 T42 N52 A53 F54I32-K40 CarbonylContact C-O 3.49Å; I32-K40 WeakPolarHBondContact CA-O 3.44Å; F33-K40 HydrophobicContact CB-CB 4.26Å; F33-K40 PolarHBondContact N-O 3.07Å; F33-K40 PolarHBondContact O-N 3.27Å; K40-T42 WeakPolarHBondContact CE-OG1 3.48Å; K40-N52 WeakPolarHBondContact CE-OD1 3.37Å; K40-A53 CarbonylContact C-O 3.48Å; K40-A53 WeakPolarHBondContact CA-O 3.33Å; K40-F54 HydrophobicContact CB-CD2 4.12Å
41V97.1Very high94.8Very high3 Ų333 Ų332%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-112117.4172.9-178.10000107.9L21 V24 A30 I32 I39 N52 A53 L76L21-V41 HydrophobicContact CD2-CB 4.22Å; L21-V41 HydrophobicContact CD2-CG1 4.13Å; L21-V41 HydrophobicContact CD2-CG2 3.71Å; V24-V41 HydrophobicContact CG2-CG1 4.33Å; A30-V41 HydrophobicContact CB-CG1 3.83Å; I32-V41 HydrophobicContact CD1-CB 4.03Å; I32-V41 HydrophobicContact CD1-CG1 3.72Å; I32-V41 HydrophobicContact CD1-CG2 3.58Å; I39-V41 HydrophobicContact CG2-CG2 4.09Å; V41-N52 WeakPolarHBondContact O-CA 3.37Å; V41-A53 HydrophobicContact CB-CB 4.37Å; V41-A53 PolarHBondContact N-O 2.81Å; V41-A53 PolarHBondContact O-N 3.49Å; V41-L76 HydrophobicContact CG1-CD1 4.29Å
42T96.7Very high94.7Very high2 Ų233.2 Ų33.21%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-116.1127.3-176.8-63.20000110.1A30 T31 K40 E44 Q50 G51 N52 I131A30-T42 CarbonylContact C-O 3.38Å; A30-T42 VanDerWaalsContact CA-O 3.3Å; A30-T42 WeakPolarHBondContact CA-O 3.41Å; T31-T42 PolarHBondContact N-O 3.32Å; T31-T42 PolarHBondContact O-N 2.98Å; K40-T42 WeakPolarHBondContact CE-OG1 3.48Å; T42-E44 HydrophobicContact CG2-CG 4.1Å; T42-Q50 HydrophobicContact CG2-CG 3.55Å; T42-G51 CarbonylContact C-O 3.57Å; T42-G51 WeakPolarHBondContact CA-O 3.45Å; T42-N52 WeakPolarHBondContact CB-OD1 3.37Å; T42-N52 WeakPolarHBondContact CG2-OD1 3.26Å; T42-N52 PolarHBondContact OG1-OD1 2.82Å; T42-I131 HydrophobicContact CG2-CD1 4.26Å; T42-I131 HydrophobicContact CG2-CG2 4.15Å
43V96.7Very high94.6Very high0 Ų032.7 Ų32.70%017%0.169CC..EExtended strand (participates in β ladder)trans-120.5133.8174.3-176.10000107.5V24 F26 R27 A30 Q50 G51 L76V24-V43 HydrophobicContact CB-CG2 4.5Å; V24-V43 WeakPolarHBondContact O-CG2 3.42Å; F26-V43 HydrophobicContact CD1-CB 4.31Å; F26-V43 HydrophobicContact CD1-CG1 4.04Å; F26-V43 HydrophobicContact CD2-CG1 4.21Å; F26-V43 HydrophobicContact CE1-CB 3.66Å; F26-V43 HydrophobicContact CE1-CG1 3.68Å; F26-V43 HydrophobicContact CE2-CG1 3.89Å; F26-V43 HydrophobicContact CG-CG1 4.29Å; F26-V43 HydrophobicContact CZ-CB 3.85Å; F26-V43 HydrophobicContact CZ-CG1 3.63Å; F26-V43 WeakPolarHBondContact CZ-O 3.4Å; R27-V43 HydrophobicContact CB-CG1 3.68Å; R27-V43 HydrophobicContact CG-CG1 4.35Å; A30-V43 HydrophobicContact CB-CG2 3.78Å; V43-Q50 CarbonylContact O-C 3.55Å; V43-Q50 VanDerWaalsContact O-CA 3.28Å; V43-Q50 WeakPolarHBondContact O-CA 3.19Å; V43-G51 PolarHBondContact N-O 2.8Å; V43-G51 PolarHBondContact O-N 2.89Å; V43-L76 HydrophobicContact CG2-CD2 3.57Å
44E94.4Very high94.4Very high56 Ų5633.2 Ų33.226%0.26217%0.172SC..EExtended strand (participates in β ladder)trans-127.3147.3-177.6-68.8-177120.800110.7T42 I49 Q50 L132T42-E44 HydrophobicContact CG2-CG 4.1Å; E44-I49 WeakPolarHBondContact CA-O 3.49Å; E44-Q50 HydrophobicContact CG-CB 3.98Å; E44-Q50 HydrophobicContact CG-CG 3.7Å; E44-Q50 PolarHBondContact OE1-NE2 3.04Å; E44-L132 VanDerWaalsContact OE1-CB 3.24Å; E44-L132 WeakPolarHBondContact OE1-CB 3.43Å; E44-L132 PolarHBondContact OE1-N 3.11Å
45D93.1Very high94.2Very high24 Ų2433.5 Ų33.513%0.12817%0.173CC..EExtended strand (participates in β ladder)trans-137.6135.8169.2-174.342.2000111.6F26 R27 K47 C48 I49 L221 L224F26-D45 HydrophobicContact CD2-CB 4.33Å; F26-D45 HydrophobicContact CE2-CB 3.76Å; R27-D45 HydrophobicContact CG-CB 3.98Å; R27-D45 IonicContact CZ-OD1 2.95Å; R27-D45 IonicContact CZ-OD2 3.33Å; R27-D45 VanDerWaalsContact CZ-OD2 3.29Å; R27-D45 IonicContact NE-OD1 3.44Å; R27-D45 PolarHBondContact NE-OD1 3.35Å; R27-D45 IonicContact NE-OD2 2.65Å; R27-D45 PolarHBondContact NE-OD2 2.86Å; R27-D45 VanDerWaalsContact NH2-CG 3.25Å; R27-D45 IonicContact NH2-OD1 3.29Å; R27-D45 PolarHBondContact NH2-OD1 2.95Å; R27-D45 IonicContact NH2-OD2 3.66Å; R27-D45 PolarHBondContact NH2-OD2 3.1Å; D45-K47 PolarHBondContact O-N 3.2Å; D45-C48 PolarHBondContact O-N 3.31Å; D45-I49 HydrophobicContact CB-CG2 3.63Å; D45-I49 PolarHBondContact N-O 3.24Å; D45-I49 PolarHBondContact O-N 3Å; D45-L221 WeakPolarHBondContact OD2-CD2 3.39Å; D45-L224 HydrophobicContact CB-CD1 4.35Å; D45-L224 WeakPolarHBondContact OD2-CD1 3.16Å
46S85.4Confident94Very high77 Ų7736.8 Ų36.854%0.53819%0.187SC..THydrogen-bonded Turntrans50.817.1175-58.30000116.4C48S46-C48 PolarHBondContact O-N 2.62Å; S46-C48 VanDerWaalsContact O-N 3.13Å; S46-C48 PolarHBondContact O-SG 2.75Å; S46-C48 VanDerWaalsContact O-SG 3.38Å
47K85.2Confident93.9Very high172 Ų17233.6 Ų33.675%0.74817%0.172SC*.THydrogen-bonded Turntrans55.717.9-169.5-53.7-178.4178.6-176.90114.2D45 L132D45-K47 PolarHBondContact O-N 3.2Å; K47-L132 WeakPolarHBondContact O-CD2 3.34Å
48C88Confident93.7Very high31 Ų3133.8 Ų33.821%0.20918%0.184CC..THydrogen-bonded Turntrans-114.9-20.4-176.2-710000111.9D45 S46 L221 C266 V267D45-C48 PolarHBondContact O-N 3.31Å; S46-C48 PolarHBondContact O-N 2.62Å; S46-C48 VanDerWaalsContact O-N 3.13Å; S46-C48 PolarHBondContact O-SG 2.75Å; S46-C48 VanDerWaalsContact O-SG 3.38Å; C48-L221 HydrophobicContact CB-CD1 3.49Å; C48-L221 VanDerWaalsContact CB-CD1 3.49Å; C48-C266 WeakPolarHBondContact O-CA 3.29Å; C48-V267 WeakPolarHBondContact O-CG2 3.34Å; C48-V267 PolarHBondContact O-N 3.02Å
49I93.8Very high93.5Very high2 Ų236.3 Ų36.31%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-139.2138.1176.9-176.5164000110.5F26 E44 D45 L221 L224 A225 F264 F265F26-I49 HydrophobicContact CE2-CG2 4.05Å; F26-I49 HydrophobicContact CZ-CG1 4.44Å; E44-I49 WeakPolarHBondContact CA-O 3.49Å; D45-I49 HydrophobicContact CB-CG2 3.63Å; D45-I49 PolarHBondContact N-O 3.24Å; D45-I49 PolarHBondContact O-N 3Å; I49-L221 WeakPolarHBondContact CD1-O 3.47Å; I49-L224 HydrophobicContact CD1-CB 4Å; I49-L224 HydrophobicContact CG2-CD1 4.35Å; I49-A225 HydrophobicContact CD1-CB 3.69Å; I49-F264 HydrophobicContact CD1-CD1 4.17Å; I49-F264 HydrophobicContact CG1-CD1 4.25Å; I49-F265 VanDerWaalsContact CA-O 3.3Å; I49-F265 WeakPolarHBondContact CA-O 3.24Å
50Q95Very high93.4Very high4 Ų436.4 Ų36.42%0.01920%0.197CC..EExtended strand (participates in β ladder)trans-135124.4173.5-178.6-176.5114.100109.1T42 V43 E44 N52 L132 F134 F264 F265T42-Q50 HydrophobicContact CG2-CG 3.55Å; V43-Q50 CarbonylContact O-C 3.55Å; V43-Q50 VanDerWaalsContact O-CA 3.28Å; V43-Q50 WeakPolarHBondContact O-CA 3.19Å; E44-Q50 HydrophobicContact CG-CB 3.98Å; E44-Q50 HydrophobicContact CG-CG 3.7Å; E44-Q50 PolarHBondContact OE1-NE2 3.04Å; Q50-N52 PolarHBondContact OE1-ND2 3.22Å; Q50-N52 PolarHBondContact OE1-OD1 3.24Å; Q50-L132 PolarHBondContact NE2-O 3.46Å; Q50-F134 HydrophobicContact CB-CD2 4.3Å; Q50-F134 HydrophobicContact CB-CE2 3.31Å; Q50-F134 HydrophobicContact CB-CZ 3.76Å; Q50-F134 HydrophobicContact CG-CE2 4.15Å; Q50-F264 CarbonylContact O-C 3.57Å; Q50-F264 WeakPolarHBondContact O-CA 3.3Å; Q50-F265 PolarHBondContact N-O 3.1Å; Q50-F265 PolarHBondContact O-N 2.89Å
51G96Very high93.4Very high0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-103.4136.5170.100000110.5T42 V43 E263 F264T42-G51 CarbonylContact C-O 3.57Å; T42-G51 WeakPolarHBondContact CA-O 3.45Å; V43-G51 PolarHBondContact N-O 2.8Å; V43-G51 PolarHBondContact O-N 2.89Å; G51-E263 CarbonylContact C-O 3.49Å; G51-E263 WeakPolarHBondContact CA-O 3.25Å; G51-F264 VanDerWaalsContact CA-CD1 3.48Å
52N95.6Very high93.4Very high10 Ų1043.2 Ų43.25%0.05323%0.225CC..EExtended strand (participates in β ladder)trans-128.2126.2-176.4-69-52.8000109.7K40 V41 T42 Q50 V262 E263K40-N52 WeakPolarHBondContact CE-OD1 3.37Å; V41-N52 WeakPolarHBondContact O-CA 3.37Å; T42-N52 WeakPolarHBondContact CB-OD1 3.37Å; T42-N52 WeakPolarHBondContact CG2-OD1 3.26Å; T42-N52 PolarHBondContact OG1-OD1 2.82Å; Q50-N52 PolarHBondContact OE1-ND2 3.22Å; Q50-N52 PolarHBondContact OE1-OD1 3.24Å; N52-V262 WeakPolarHBondContact O-CA 3.28Å; N52-E263 PolarHBondContact N-O 2.89Å; N52-E263 PolarHBondContact O-N 2.93Å
53A95.5Very high93.4Very high0 Ų045.1 Ų45.10%023%0.232CC..EExtended strand (participates in β ladder)trans-113.4135.1166.100000108.4I20 V24 K40 V41 V262I20-A53 HydrophobicContact CG2-CB 3.58Å; V24-A53 HydrophobicContact CG1-CB 3.88Å; V24-A53 HydrophobicContact CG2-CB 3.94Å; K40-A53 CarbonylContact C-O 3.48Å; K40-A53 WeakPolarHBondContact CA-O 3.33Å; V41-A53 HydrophobicContact CB-CB 4.37Å; V41-A53 PolarHBondContact N-O 2.81Å; V41-A53 PolarHBondContact O-N 3.49Å; A53-V262 HydrophobicContact CB-CG2 4.4Å
54F93.7Very high93.5Very high41 Ų4147.7 Ų47.718%0.1825%0.25CC..EExtended strand (participates in β ladder)trans-118.3127.3173.3-176.3-100.7000110.7N37 I39 K40 H56 I305N37-F54 HydrophobicContact CB-CZ 4.38Å; I39-F54 WeakPolarHBondContact O-CA 3.11Å; K40-F54 HydrophobicContact CB-CD2 4.12Å; F54-H56 HydrophobicContact CD1-CB 4.42Å; F54-H56 HydrophobicContact CE1-CB 3.88Å; F54-H56 AromaticContact CE1-CD2 3.95Å; F54-I305 HydrophobicContact CB-CD1 3.62Å; F54-I305 HydrophobicContact CB-CG1 3.94Å; F54-I305 HydrophobicContact CD1-CB 4.41Å; F54-I305 HydrophobicContact CD1-CD1 3.42Å; F54-I305 VanDerWaalsContact CD1-CD1 3.42Å; F54-I305 HydrophobicContact CD1-CG1 4.11Å; F54-I305 HydrophobicContact CD1-CG2 3.97Å; F54-I305 HydrophobicContact CD2-CD1 3.58Å; F54-I305 HydrophobicContact CE1-CD1 3.85Å; F54-I305 HydrophobicContact CE2-CD1 4.03Å; F54-I305 HydrophobicContact CG-CD1 3.23Å; F54-I305 HydrophobicContact CG-CG1 4.03Å; F54-I305 HydrophobicContact CZ-CD1 4.13Å
55L93.5Very high93.6Very high6 Ų645.5 Ų45.53%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-109.8102.1177.2-56176.8000107.6I17 I20 G38 I39 L59 F60I17-L55 HydrophobicContact CB-CD1 4.15Å; I17-L55 HydrophobicContact CB-CD2 4.47Å; I17-L55 HydrophobicContact CG2-CD1 3.87Å; I17-L55 HydrophobicContact CG2-CD2 3.97Å; I20-L55 HydrophobicContact CB-CD2 4.14Å; I20-L55 HydrophobicContact CD1-CD2 3.42Å; I20-L55 VanDerWaalsContact CD1-CD2 3.42Å; I20-L55 HydrophobicContact CG1-CD2 4.39Å; I20-L55 HydrophobicContact CG2-CD2 3.85Å; G38-L55 CarbonylContact C-O 3.51Å; G38-L55 WeakPolarHBondContact CA-O 3.42Å; I39-L55 HydrophobicContact CB-CB 4.43Å; I39-L55 PolarHBondContact N-O 2.92Å; I39-L55 PolarHBondContact O-N 3.09Å; L55-L59 HydrophobicContact CB-CD1 4.16Å; L55-L59 HydrophobicContact CD2-CD1 4.16Å; L55-F60 HydrophobicContact CB-CE2 4.19Å; L55-F60 HydrophobicContact CB-CZ 3.96Å; L55-F60 HydrophobicContact CD1-CZ 4.32Å
56H93.4Very high93.8Very high92 Ų9249.3 Ų49.343%0.42626%0.256SS..EExtended strand (participates in β ladder)trans-62.7146.1179.8-170.8-94.6000111N37 F54 A58 L59 F60N37-H56 PolarHBondContact O-CD2 3.42Å; F54-H56 HydrophobicContact CD1-CB 4.42Å; F54-H56 HydrophobicContact CE1-CB 3.88Å; F54-H56 AromaticContact CE1-CD2 3.95Å; H56-A58 VanDerWaalsContact ND1-CB 3.25Å; H56-A58 WeakPolarHBondContact ND1-CB 3.24Å; H56-A58 PolarHBondContact ND1-N 2.78Å; H56-A58 VanDerWaalsContact ND1-N 3.15Å; H56-A58 PolarHBondContact O-N 3.02Å; H56-A58 VanDerWaalsContact O-N 3.11Å; H56-L59 WeakPolarHBondContact O-CB 3.38Å; H56-L59 WeakPolarHBondContact O-CG 3.24Å; H56-L59 PolarHBondContact O-N 3.15Å; H56-F60 WeakPolarHBondContact O-CE2 3.43Å
57S95.1Very high94.2Very high30 Ų3051.1 Ų51.121%0.2125%0.254CS..G310 helixtrans-58.9-27-177.257.70000113.4N37 L59 F60 Y63N37-S57 PolarHBondContact O-N 3.35Å; N37-S57 PolarHBondContact O-OG 2.89Å; S57-L59 PolarHBondContact O-N 2.82Å; S57-F60 WeakPolarHBondContact O-CD2 3.44Å; S57-F60 PolarHBondContact O-N 2.81Å; S57-Y63 VanDerWaalsContact CB-CD1 3.48Å
58A92.2Very high94.6Very high82 Ų8249.6 Ų49.668%0.67825%0.254SS*.G310 helixtrans-65.5-16.9175.600000114.6H56 F60H56-A58 VanDerWaalsContact ND1-CB 3.25Å; H56-A58 WeakPolarHBondContact ND1-CB 3.24Å; H56-A58 PolarHBondContact ND1-N 2.78Å; H56-A58 VanDerWaalsContact ND1-N 3.15Å; H56-A58 PolarHBondContact O-N 3.02Å; H56-A58 VanDerWaalsContact O-N 3.11Å; A58-F60 PolarHBondContact O-N 2.94Å
59L90Very high94.9Very high54 Ų5451.7 Ų51.728%0.28326%0.262SS..G310 helixtrans-70.9-13.9174.2-65.2175.5000112.7L55 H56 S57L55-L59 HydrophobicContact CB-CD1 4.16Å; L55-L59 HydrophobicContact CD2-CD1 4.16Å; H56-L59 WeakPolarHBondContact O-CB 3.38Å; H56-L59 WeakPolarHBondContact O-CG 3.24Å; H56-L59 PolarHBondContact O-N 3.15Å; S57-L59 PolarHBondContact O-N 2.82Å
60F94.3Very high95.1Very high15 Ų1551.9 Ų51.97%0.06626%0.263CS..SBendtrans-109.8135.9-175.2-50.2-85.8000109.6L9 A10 M11 I39 L55 H56 S57 A58 E62 Y63L9-F60 HydrophobicContact CB-CD1 3.9Å; L9-F60 HydrophobicContact CB-CE1 4.31Å; L9-F60 HydrophobicContact CB-CG 4.22Å; L9-F60 HydrophobicContact CD1-CD1 3.75Å; L9-F60 HydrophobicContact CD1-CE1 3.73Å; L9-F60 HydrophobicContact CD2-CD1 4.29Å; L9-F60 HydrophobicContact CD2-CE1 3.84Å; L9-F60 HydrophobicContact CD2-CZ 4.2Å; L9-F60 HydrophobicContact CG-CD1 4.19Å; L9-F60 HydrophobicContact CG-CE1 4.18Å; A10-F60 CarbonylContact O-C 3.49Å; A10-F60 WeakPolarHBondContact O-CA 3.5Å; A10-F60 WeakPolarHBondContact O-CB 3.44Å; M11-F60 HydrophobicContact CB-CD1 4.35Å; M11-F60 HydrophobicContact CE-CD1 3.27Å; M11-F60 HydrophobicContact CE-CE1 3.1Å; M11-F60 HydrophobicContact CE-CG 4.48Å; M11-F60 HydrophobicContact CE-CZ 4.21Å; I39-F60 HydrophobicContact CD1-CZ 4.37Å; L55-F60 HydrophobicContact CB-CE2 4.19Å; L55-F60 HydrophobicContact CB-CZ 3.96Å; L55-F60 HydrophobicContact CD1-CZ 4.32Å; H56-F60 WeakPolarHBondContact O-CE2 3.43Å; S57-F60 WeakPolarHBondContact O-CD2 3.44Å; S57-F60 PolarHBondContact O-N 2.81Å; A58-F60 PolarHBondContact O-N 2.94Å; F60-E62 VanDerWaalsContact C-N 3.26Å; F60-E62 WeakPolarHBondContact CB-O 3.49Å; F60-E62 PolarHBondContact O-N 2.68Å; F60-Y63 HydrophobicContact CB-CD2 4.39Å; F60-Y63 AromaticContact CD2-CD2 3.52Å; F60-Y63 HydrophobicContact CD2-CD2 3.52Å; F60-Y63 HydrophobicContact CD2-CE2 4.12Å; F60-Y63 HydrophobicContact CD2-CG 4.25Å; F60-Y63 AromaticContact CE2-CD2 3.92Å; F60-Y63 HydrophobicContact CE2-CD2 3.92Å; F60-Y63 HydrophobicContact CE2-CE2 4.04Å; F60-Y63 HydrophobicContact CG-CD2 4.01Å
61R95.8Very high95.2Very high130 Ų13053.4 Ų53.449%0.49128%0.275SS..SBendtrans-61.1-39.8173.1-175.6-176.171.4-145.21.1111.1A10 D12A10-R61 PolarHBondContact O-N 2.82Å; D12-R61 IonicContact OD1-CZ 3.53Å; D12-R61 IonicContact OD1-NH1 2.66Å; D12-R61 PolarHBondContact OD1-NH1 3.19Å
62E97.7Very high95.3Very high80 Ų8053.7 Ų53.737%0.37428%0.276SS..EExtended strand (participates in β ladder)trans-129.5135.2173.1-66.4164.2-122.500108.3Y8 L9 A10 F60Y8-E62 HydrophobicContact CD1-CB 4.34Å; Y8-E62 HydrophobicContact CE1-CB 3.78Å; Y8-E62 WeakPolarHBondContact CE1-OE2 3.41Å; Y8-E62 PolarHBondContact OH-OE2 3.35Å; L9-E62 CarbonylContact C-O 3.5Å; L9-E62 WeakPolarHBondContact CA-O 3.37Å; A10-E62 HydrophobicContact CB-CB 4.06Å; A10-E62 PolarHBondContact N-O 3.1Å; A10-E62 PolarHBondContact O-N 3Å; F60-E62 VanDerWaalsContact C-N 3.26Å; F60-E62 WeakPolarHBondContact CB-O 3.49Å; F60-E62 PolarHBondContact O-N 2.68Å
63Y97.9Very high95.3Very high42 Ų4255.5 Ų55.517%0.16528%0.282CS..EExtended strand (participates in β ladder)trans-148.7128.5178.2-172.7-95000110Y8 L9 T35 G38 I39 S57 F60 V65Y8-Y63 CarbonylContact O-C 3.59Å; Y8-Y63 WeakPolarHBondContact O-CA 3.34Å; L9-Y63 HydrophobicContact CB-CD2 3.91Å; L9-Y63 HydrophobicContact CB-CE2 4.49Å; L9-Y63 HydrophobicContact CD2-CE2 4.41Å; T35-Y63 WeakPolarHBondContact O-CE1 3.46Å; T35-Y63 PolarHBondContact O-OH 3.37Å; G38-Y63 WeakPolarHBondContact CA-OH 3.42Å; G38-Y63 PolarHBondContact O-OH 2.86Å; G38-Y63 VanDerWaalsContact O-OH 3.05Å; I39-Y63 HydrophobicContact CD1-CE2 3.98Å; I39-Y63 HydrophobicContact CG1-CE2 3.83Å; I39-Y63 WeakPolarHBondContact CG1-OH 3.31Å; S57-Y63 VanDerWaalsContact CB-CD1 3.48Å; F60-Y63 HydrophobicContact CB-CD2 4.39Å; F60-Y63 AromaticContact CD2-CD2 3.52Å; F60-Y63 HydrophobicContact CD2-CD2 3.52Å; F60-Y63 HydrophobicContact CD2-CE2 4.12Å; F60-Y63 HydrophobicContact CD2-CG 4.25Å; F60-Y63 AromaticContact CE2-CD2 3.92Å; F60-Y63 HydrophobicContact CE2-CD2 3.92Å; F60-Y63 HydrophobicContact CE2-CE2 4.04Å; F60-Y63 HydrophobicContact CG-CD2 4.01Å; Y63-V65 HydrophobicContact CE1-CG2 3.66Å; Y63-V65 WeakPolarHBondContact OH-CG2 3.3Å
64S97.6Very high95.4Very high53 Ų5355.5 Ų55.537%0.37128%0.282SS..EExtended strand (participates in β ladder)trans-150.6138.617465.30000111.8I7 Y8I7-S64 WeakPolarHBondContact CA-O 3.46Å; Y8-S64 PolarHBondContact N-O 2.69Å; Y8-S64 PolarHBondContact O-N 2.8Å
65V97.7Very high95.6Very high11 Ų1156 Ų567%0.06729%0.286CS..EExtended strand (participates in β ladder)trans-128.7124.2172-172.50000107.6L6 I7 A34 N36 Y63 K67 V70L6-V65 WeakPolarHBondContact O-CA 3.23Å; I7-V65 HydrophobicContact CG1-CG1 4.35Å; A34-V65 HydrophobicContact CB-CG1 4.36Å; A34-V65 HydrophobicContact CB-CG2 3.96Å; N36-V65 PolarHBondContact OD1-O 2.71Å; Y63-V65 HydrophobicContact CE1-CG2 3.66Å; Y63-V65 WeakPolarHBondContact OH-CG2 3.3Å; V65-K67 VanDerWaalsContact CG1-O 3.32Å; V65-K67 WeakPolarHBondContact CG1-O 3.37Å; V65-V70 HydrophobicContact CG1-CB 4.31Å; V65-V70 HydrophobicContact CG1-CG2 3.69Å
66K95.4Very high95.8Very high103 Ų10355.7 Ų55.745%0.44829%0.285SS..SBendtrans-82.5-14.7-172.8-74.1-168.8169.9-1720115.2M2 G4 P5 L6M2-K66 PolarHBondContact O-NZ 2.81Å; G4-K66 VanDerWaalsContact C-NZ 3.29Å; G4-K66 VanDerWaalsContact O-CE 3.29Å; G4-K66 WeakPolarHBondContact O-CE 3.41Å; G4-K66 PolarHBondContact O-NZ 2.98Å; P5-K66 VanDerWaalsContact O-CD 3.29Å; P5-K66 WeakPolarHBondContact O-CD 3.33Å; P5-K66 WeakPolarHBondContact O-CE 3.46Å; L6-K66 HydrophobicContact CD2-CB 4.28Å; L6-K66 PolarHBondContact O-N 2.83Å
67K94.1Very high96Very high115 Ų11551.7 Ų51.750%0.527%0.268SS..SBendtrans-118.2161.3176.7-63.3-175.1176.4-174.40108.5L6 V65 I69 V70L6-K67 HydrophobicContact CD2-CD 4.27Å; L6-K67 HydrophobicContact CD2-CG 4.18Å; V65-K67 VanDerWaalsContact CG1-O 3.32Å; V65-K67 WeakPolarHBondContact CG1-O 3.37Å; K67-I69 PolarHBondContact O-N 3.35Å; K67-V70 HydrophobicContact CB-CG2 3.89Å; K67-V70 HydrophobicContact CD-CG2 4.42Å; K67-V70 HydrophobicContact CG-CG2 4.39Å
68D94Very high96.2Very high140 Ų14053.2 Ų53.275%0.74928%0.276SS*.SBendtrans-55.1-44.3177.7-61.2-22000111.8
69I95.2Very high96.4Very high75 Ų7549.8 Ų49.839%0.38525%0.247SC..  trans-140.2131.2176-52.1179.7000108.5A34 T35 K67A34-I69 WeakPolarHBondContact O-CA 3.3Å; T35-I69 HydrophobicContact CG2-CG1 4.05Å; T35-I69 HydrophobicContact CG2-CG2 4.4Å; K67-I69 PolarHBondContact O-N 3.35Å
70V97.1Very high96.7Very high6 Ų647.5 Ų47.54%0.03624%0.235CC..EExtended strand (participates in β ladder)trans-119.2125.9168.2-178.70000108I7 A34 V65 K67 F72 Y101I7-V70 HydrophobicContact CD1-CB 3.98Å; I7-V70 HydrophobicContact CD1-CG1 3.73Å; I7-V70 HydrophobicContact CG1-CB 4.15Å; I7-V70 HydrophobicContact CG1-CG1 4.14Å; I7-V70 HydrophobicContact CG1-CG2 4.4Å; A34-V70 PolarHBondContact N-O 2.95Å; A34-V70 PolarHBondContact O-N 2.78Å; V65-V70 HydrophobicContact CG1-CB 4.31Å; V65-V70 HydrophobicContact CG1-CG2 3.69Å; K67-V70 HydrophobicContact CB-CG2 3.89Å; K67-V70 HydrophobicContact CD-CG2 4.42Å; K67-V70 HydrophobicContact CG-CG2 4.39Å; V70-F72 HydrophobicContact CG1-CD1 4.4Å; V70-Y101 HydrophobicContact CG1-CD1 4.01Å; V70-Y101 HydrophobicContact CG1-CE1 3.82Å
71S96.9Very high96.9Very high37 Ų3752.1 Ų52.126%0.25926%0.26SS..EExtended strand (participates in β ladder)trans-130.5142.8179.6590000112.4I32I32-S71 WeakPolarHBondContact O-CA 3.39Å
72F97.7Very high96.9Very high5 Ų547 Ų472%0.02224%0.244CC..EExtended strand (participates in β ladder)trans-159.3164.1173.955.2-90.5000109.3I7 I32 V70 Y101 L108 T125I7-F72 HydrophobicContact CD1-CE1 3.61Å; I7-F72 HydrophobicContact CD1-CZ 4.41Å; I32-F72 HydrophobicContact CB-CD2 4.24Å; I32-F72 HydrophobicContact CB-CE1 4.24Å; I32-F72 HydrophobicContact CB-CE2 3.65Å; I32-F72 HydrophobicContact CB-CZ 3.66Å; I32-F72 HydrophobicContact CG1-CD2 4.27Å; I32-F72 HydrophobicContact CG1-CE2 3.58Å; I32-F72 HydrophobicContact CG1-CZ 4Å; I32-F72 HydrophobicContact CG2-CE1 4.25Å; I32-F72 HydrophobicContact CG2-CE2 4.18Å; I32-F72 HydrophobicContact CG2-CZ 3.7Å; I32-F72 PolarHBondContact N-O 2.8Å; I32-F72 PolarHBondContact O-N 3.03Å; I32-F72 VanDerWaalsContact O-N 3.16Å; V70-F72 HydrophobicContact CG1-CD1 4.4Å; F72-Y101 HydrophobicContact CD1-CD1 4.24Å; F72-Y101 AromaticContact CD1-CE1 3.87Å; F72-Y101 HydrophobicContact CD1-CE1 3.87Å; F72-Y101 HydrophobicContact CD1-CE2 4.14Å; F72-Y101 AromaticContact CD1-CZ 3.8Å; F72-Y101 HydrophobicContact CE1-CD1 4.21Å; F72-Y101 HydrophobicContact CE1-CD2 4.46Å; F72-Y101 HydrophobicContact CE1-CE1 4.31Å; F72-Y101 HydrophobicContact CE1-CG 4.28Å; F72-Y101 HydrophobicContact CG-CE2 4.32Å; F72-L108 HydrophobicContact CD2-CD1 4.45Å; F72-L108 HydrophobicContact CE1-CD2 4.25Å; F72-L108 HydrophobicContact CE2-CD1 3.64Å; F72-L108 HydrophobicContact CE2-CD2 3.65Å; F72-L108 HydrophobicContact CE2-CG 4.01Å; F72-L108 HydrophobicContact CZ-CD1 4.26Å; F72-L108 HydrophobicContact CZ-CD2 3.46Å; F72-L108 VanDerWaalsContact CZ-CD2 3.46Å; F72-L108 HydrophobicContact CZ-CG 4.32Å; F72-T125 HydrophobicContact CD2-CG2 3.66Å; F72-T125 HydrophobicContact CE2-CG2 4.17Å; F72-T125 HydrophobicContact CG-CG2 4.19Å
73R97.5Very high96.8Very high48 Ų4843.2 Ų43.218%0.18123%0.227CC..EExtended strand (participates in β ladder)trans-101.9151.4170.4-74.1-17880.6-169.79.6111.5A30 T31 T125 M126A30-R73 CarbonylContact O-C 3.55Å; A30-R73 VanDerWaalsContact O-CA 3.22Å; A30-R73 WeakPolarHBondContact O-CA 2.83Å; T31-R73 HydrophobicContact CG2-CG 4.17Å; T31-R73 WeakPolarHBondContact OG1-CG 3.14Å; R73-T125 CarbonylContact O-C 3.49Å; R73-T125 VanDerWaalsContact O-CA 3.26Å; R73-T125 WeakPolarHBondContact O-CA 3.43Å; R73-M126 HydrophobicContact CB-CB 4.06Å; R73-M126 PolarHBondContact N-O 3.3Å; R73-M126 PolarHBondContact O-N 2.94Å
74T97.5Very high96.7Very high0 Ų042.4 Ų42.40%023%0.227CC..EExtended strand (participates in β ladder)trans-149.2163.8175.3-168.90000110.6L29 A30 I32 L76 L79 L108 I123L29-T74 WeakPolarHBondContact CA-O 3.27Å; A30-T74 PolarHBondContact N-O 2.9Å; A30-T74 PolarHBondContact O-N 3Å; I32-T74 HydrophobicContact CD1-CG2 4.41Å; I32-T74 HydrophobicContact CG1-CG2 4.03Å; T74-L76 PolarHBondContact O-N 3.23Å; T74-L79 HydrophobicContact CG2-CD2 4.49Å; T74-L108 HydrophobicContact CG2-CD1 4.08Å; T74-I123 VanDerWaalsContact OG1-CG2 3.22Å; T74-I123 WeakPolarHBondContact OG1-CG2 3.39Å
75N97.9Very high96.6Very high51 Ų5144.6 Ų44.627%0.27323%0.233SC..EExtended strand (participates in β ladder)trans-77.5108.3169.8-172.1-48.1000109.3D28 L29 G77 V78 L79D28-N75 CarbonylContact O-C 3.57Å; D28-N75 VanDerWaalsContact O-CA 3.25Å; D28-N75 WeakPolarHBondContact O-CA 3.27Å; D28-N75 PolarHBondContact O-OD1 2.62Å; L29-N75 HydrophobicContact CD2-CB 4.43Å; N75-G77 VanDerWaalsContact C-N 3.34Å; N75-G77 WeakPolarHBondContact OD1-CA 3.19Å; N75-G77 PolarHBondContact OD1-N 3.09Å; N75-V78 HydrophobicContact CB-CB 4.08Å; N75-V78 HydrophobicContact CB-CG2 3.92Å; N75-V78 PolarHBondContact O-N 3.29Å; N75-V78 PolarHBondContact OD1-N 2.79Å; N75-L79 PolarHBondContact O-N 2.8Å
76L97.8Very high96.5Very high0 Ų046.2 Ų46.20%024%0.24CC..Hα-helixtrans-66-35.1179.6-177.258.8000112.1L21 V24 H25 D28 A30 V41 V43 T74 L79 V80L21-L76 HydrophobicContact CB-CD1 4.24Å; L21-L76 HydrophobicContact CD2-CD1 4.15Å; V24-L76 HydrophobicContact CG2-CD2 4.3Å; H25-L76 HydrophobicContact CB-CD2 3.74Å; H25-L76 HydrophobicContact CB-CG 4.17Å; D28-L76 PolarHBondContact O-N 3.2Å; A30-L76 HydrophobicContact CB-CB 3.9Å; A30-L76 HydrophobicContact CB-CD1 4.49Å; A30-L76 HydrophobicContact CB-CD2 4.11Å; A30-L76 HydrophobicContact CB-CG 4.4Å; V41-L76 HydrophobicContact CG1-CD1 4.29Å; V43-L76 HydrophobicContact CG2-CD2 3.57Å; T74-L76 PolarHBondContact O-N 3.23Å; L76-L79 HydrophobicContact CD1-CD2 4.24Å; L76-L79 PolarHBondContact O-N 3.36Å; L76-V80 HydrophobicContact CD1-CG2 4.23Å; L76-V80 HydrophobicContact CG-CG2 4.43Å; L76-V80 WeakPolarHBondContact O-CB 3.17Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.42Å; L76-V80 PolarHBondContact O-N 3.38Å
77G97.2Very high96.3Very high8 Ų842.7 Ų42.78%0.08223%0.232CC..Hα-helixtrans-60.4-51.417400000111.5H25 N75 L79 V80 D81H25-G77 WeakPolarHBondContact CE1-CA 3.41Å; H25-G77 WeakPolarHBondContact NE2-CA 3.37Å; H25-G77 PolarHBondContact NE2-N 3.06Å; N75-G77 VanDerWaalsContact C-N 3.34Å; N75-G77 WeakPolarHBondContact OD1-CA 3.19Å; N75-G77 PolarHBondContact OD1-N 3.09Å; G77-L79 VanDerWaalsContact C-N 3.3Å; G77-L79 PolarHBondContact O-N 2.86Å; G77-V80 PolarHBondContact O-N 3.23Å; G77-D81 WeakPolarHBondContact O-CB 3.29Å; G77-D81 VanDerWaalsContact O-CG 3.24Å; G77-D81 PolarHBondContact O-N 2.99Å
78V97.9Very high96.1Very high62 Ų6239.7 Ų39.738%0.37622%0.224SC..Hα-helixtrans-59.4-41.6175.5177.20000111.1N75 D81 C82 I123N75-V78 HydrophobicContact CB-CB 4.08Å; N75-V78 HydrophobicContact CB-CG2 3.92Å; N75-V78 PolarHBondContact O-N 3.29Å; N75-V78 PolarHBondContact OD1-N 2.79Å; V78-D81 PolarHBondContact O-N 3.38Å; V78-C82 WeakPolarHBondContact O-CB 3.46Å; V78-C82 PolarHBondContact O-N 2.8Å; V78-C82 PolarHBondContact O-SG 2.81Å; V78-I123 HydrophobicContact CG1-CD1 4.12Å; V78-I123 HydrophobicContact CG1-CG1 4.1Å; V78-I123 HydrophobicContact CG1-CG2 4.14Å
79L97.8Very high95.7Very high11 Ų1136.2 Ų36.26%0.05821%0.211CC..Hα-helixtrans-60.5-48.2176.2176.560.2000112L21 T74 N75 L76 G77 D81 C82 L83 I110 I123L21-L79 HydrophobicContact CD1-CD2 4.19Å; L21-L79 HydrophobicContact CD1-CG 4.36Å; T74-L79 HydrophobicContact CG2-CD2 4.49Å; N75-L79 PolarHBondContact O-N 2.8Å; L76-L79 HydrophobicContact CD1-CD2 4.24Å; L76-L79 PolarHBondContact O-N 3.36Å; G77-L79 VanDerWaalsContact C-N 3.3Å; G77-L79 PolarHBondContact O-N 2.86Å; L79-D81 VanDerWaalsContact C-N 3.34Å; L79-D81 PolarHBondContact O-N 3Å; L79-C82 PolarHBondContact O-N 3.1Å; L79-L83 HydrophobicContact CD1-CD1 4.1Å; L79-L83 HydrophobicContact CD1-CG 4.25Å; L79-L83 HydrophobicContact CG-CD1 4.16Å; L79-L83 VanDerWaalsContact O-CG 3.24Å; L79-L83 WeakPolarHBondContact O-CG 3.36Å; L79-L83 PolarHBondContact O-N 2.78Å; L79-I110 HydrophobicContact CD1-CD1 3.35Å; L79-I123 HydrophobicContact CB-CD1 3.97Å; L79-I123 HydrophobicContact CD1-CD1 3.9Å
80V97Very high94.9Very high5 Ų537.8 Ų37.83%0.0322%0.223CC..Hα-helixtrans-63-41.1178.1168.60000111.3L21 K22 L76 G77 L83 S84L21-V80 HydrophobicContact CB-CG2 3.81Å; K22-V80 HydrophobicContact CD-CG1 4.39Å; K22-V80 HydrophobicContact CG-CG1 3.76Å; L76-V80 HydrophobicContact CD1-CG2 4.23Å; L76-V80 HydrophobicContact CG-CG2 4.43Å; L76-V80 WeakPolarHBondContact O-CB 3.17Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.42Å; L76-V80 PolarHBondContact O-N 3.38Å; G77-V80 PolarHBondContact O-N 3.23Å; V80-L83 PolarHBondContact O-N 2.89Å; V80-S84 VanDerWaalsContact O-CB 3.28Å; V80-S84 WeakPolarHBondContact O-CB 3.3Å; V80-S84 PolarHBondContact O-N 3.01Å; V80-S84 PolarHBondContact O-OG 2.87Å
81D96.6Very high94.3Very high113 Ų11347 Ų4760%0.60427%0.266SS*.Hα-helixtrans-65.1-45.2178.3-69.3-17.8000111.3G77 V78 L79 L83 S84 I85G77-D81 WeakPolarHBondContact O-CB 3.29Å; G77-D81 VanDerWaalsContact O-CG 3.24Å; G77-D81 PolarHBondContact O-N 2.99Å; V78-D81 PolarHBondContact O-N 3.38Å; L79-D81 VanDerWaalsContact C-N 3.34Å; L79-D81 PolarHBondContact O-N 3Å; D81-L83 PolarHBondContact O-N 2.92Å; D81-S84 CarbonylContact O-C 3.55Å; D81-S84 PolarHBondContact O-N 2.95Å; D81-S84 VanDerWaalsContact O-N 3.1Å; D81-I85 PolarHBondContact O-N 3.43Å
82C96.8Very high93.8Very high22 Ų2246.3 Ų46.315%0.14926%0.264CS..Hα-helixtrans-57.7-49.1174.5-73.60000111.4V78 L79 S84 I85 L112 C121 I123V78-C82 WeakPolarHBondContact O-CB 3.46Å; V78-C82 PolarHBondContact O-N 2.8Å; V78-C82 PolarHBondContact O-SG 2.81Å; L79-C82 PolarHBondContact O-N 3.1Å; C82-S84 PolarHBondContact O-N 3.33Å; C82-I85 PolarHBondContact O-N 2.83Å; C82-L112 WeakPolarHBondContact O-CD1 3.37Å; C82-C121 HydrophobicContact CB-CB 3.93Å; C82-C121 VanDerWaalsContact SG-CB 3.56Å; C82-I123 HydrophobicContact CB-CD1 4.32Å
83L96.2Very high93.5Very high1 Ų148.5 Ų48.51%0.00528%0.279CS..Hα-helixtrans-62.6-25.8177.8-66.9172.2000112.9I17 I18 L21 L79 V80 D81 F97 L112I17-L83 HydrophobicContact CD1-CD1 3.85Å; I17-L83 HydrophobicContact CD1-CD2 4.36Å; I17-L83 HydrophobicContact CG1-CD1 4.36Å; I18-L83 HydrophobicContact CD1-CB 3.85Å; I18-L83 WeakPolarHBondContact CD1-O 3.38Å; I18-L83 HydrophobicContact CG1-CB 3.58Å; I18-L83 HydrophobicContact CG1-CD1 4.28Å; L21-L83 HydrophobicContact CD1-CD1 3.53Å; L79-L83 HydrophobicContact CD1-CD1 4.1Å; L79-L83 HydrophobicContact CD1-CG 4.25Å; L79-L83 HydrophobicContact CG-CD1 4.16Å; L79-L83 VanDerWaalsContact O-CG 3.24Å; L79-L83 WeakPolarHBondContact O-CG 3.36Å; L79-L83 PolarHBondContact O-N 2.78Å; V80-L83 PolarHBondContact O-N 2.89Å; D81-L83 PolarHBondContact O-N 2.92Å; L83-F97 HydrophobicContact CD2-CD1 4.41Å; L83-F97 HydrophobicContact CD2-CD2 3.63Å; L83-F97 HydrophobicContact CD2-CE1 4.21Å; L83-F97 HydrophobicContact CD2-CE2 3.39Å; L83-F97 HydrophobicContact CD2-CG 4.15Å; L83-F97 HydrophobicContact CD2-CZ 3.7Å; L83-L112 HydrophobicContact CD2-CD2 4.26Å
84S95.3Very high93.2Very high25 Ų2550.2 Ų50.218%0.17530%0.297CS..THydrogen-bonded Turntrans-92.49.1-177.1-56.20000114V80 D81 C82 F86 G87 T88V80-S84 VanDerWaalsContact O-CB 3.28Å; V80-S84 WeakPolarHBondContact O-CB 3.3Å; V80-S84 PolarHBondContact O-N 3.01Å; V80-S84 PolarHBondContact O-OG 2.87Å; D81-S84 CarbonylContact O-C 3.55Å; D81-S84 PolarHBondContact O-N 2.95Å; D81-S84 VanDerWaalsContact O-N 3.1Å; C82-S84 PolarHBondContact O-N 3.33Å; S84-F86 VanDerWaalsContact C-N 3.32Å; S84-F86 PolarHBondContact O-N 2.83Å; S84-G87 WeakPolarHBondContact O-CA 3.46Å; S84-G87 PolarHBondContact O-N 2.98Å; S84-T88 WeakPolarHBondContact OG-CG2 3.32Å
85I95.5Very high93.1Very high98 Ų9850.2 Ų50.250%0.50330%0.297SS..THydrogen-bonded Turntrans-59.8-37.4-172.9-163.6170.7000113.8D81 C82 G87 L112 A119D81-I85 PolarHBondContact O-N 3.43Å; C82-I85 PolarHBondContact O-N 2.83Å; I85-G87 VanDerWaalsContact C-N 3.27Å; I85-L112 HydrophobicContact CG2-CD1 3.75Å; I85-A119 HydrophobicContact CD1-CB 3.99Å; I85-A119 HydrophobicContact CG2-CB 4.04Å
86F94.8Very high93Very high46 Ų4649.3 Ų49.320%0.20229%0.294CS..THydrogen-bonded Turntrans-89.78.4174.3-61.3-67.3000112.7S84 I95 L112 E114 V117 A119S84-F86 VanDerWaalsContact C-N 3.32Å; S84-F86 PolarHBondContact O-N 2.83Å; F86-I95 HydrophobicContact CB-CD1 3.7Å; F86-I95 HydrophobicContact CB-CG1 4.08Å; F86-I95 HydrophobicContact CD2-CG2 3.92Å; F86-L112 HydrophobicContact CD2-CB 4.11Å; F86-L112 HydrophobicContact CE2-CB 3.75Å; F86-E114 HydrophobicContact CB-CB 4.24Å; F86-E114 HydrophobicContact CD1-CB 3.93Å; F86-E114 HydrophobicContact CD2-CB 3.97Å; F86-E114 HydrophobicContact CE1-CB 4.25Å; F86-E114 HydrophobicContact CE2-CB 4.28Å; F86-E114 HydrophobicContact CG-CB 3.79Å; F86-E114 HydrophobicContact CZ-CB 4.41Å; F86-V117 HydrophobicContact CE1-CB 4.14Å; F86-V117 HydrophobicContact CE1-CG1 3.85Å; F86-V117 HydrophobicContact CZ-CB 4.35Å; F86-V117 HydrophobicContact CZ-CG1 4.06Å; F86-V117 WeakPolarHBondContact CZ-O 3.47Å; F86-A119 HydrophobicContact CE2-CB 3.92Å; F86-A119 HydrophobicContact CZ-CB 3.88Å
87G91.8Very high92.9Very high28 Ų2849.5 Ų49.529%0.28930%0.295SS..  trans88.8172.3-179.700000114.3S84 I85S84-G87 WeakPolarHBondContact O-CA 3.46Å; S84-G87 PolarHBondContact O-N 2.98Å; I85-G87 VanDerWaalsContact C-N 3.27Å
88T89Confident93Very high52 Ų5251 Ų5132%0.31930%0.301SS..  trans-123.821.6-172.968.40000112.9I18 S84 V90I18-T88 HydrophobicContact CD1-CG2 4.12Å; I18-T88 HydrophobicContact CG2-CG2 3.89Å; S84-T88 WeakPolarHBondContact OG-CG2 3.32Å; T88-V90 PolarHBondContact O-N 2.78Å
89S86.8Confident93Very high68 Ų6848.9 Ų48.948%0.47629%0.287SS..  trans-70.4128.9-180630000110.6K15 Q91 G92K15-S89 WeakPolarHBondContact CD-O 3.26Å; K15-S89 WeakPolarHBondContact CE-O 3.22Å; K15-S89 PolarHBondContact NZ-O 3.07Å; S89-Q91 PolarHBondContact O-N 3.09Å; S89-G92 PolarHBondContact O-N 2.83Å; S89-G92 VanDerWaalsContact O-N 3.14Å; S89-G92 WeakPolarHBondContact OG-CA 3.48Å; S89-G92 PolarHBondContact OG-N 3.26Å
90V78.3Confident93Very high107 Ų10749.5 Ų49.565%0.64829%0.292SS*.THydrogen-bonded Turntrans-64-30.9178.2-176.90000111.4T88T88-V90 PolarHBondContact O-N 2.78Å
91Q83.8Confident93.1Very high201 Ų20149.3 Ų49.394%0.93929%0.291SS*.THydrogen-bonded Turntrans-85-7177.7-65179.5-10.400114S89S89-Q91 PolarHBondContact O-N 3.09Å
92G86.5Confident93.1Very high21 Ų2150.1 Ų50.122%0.21629%0.289CS..SBendtrans-75.8166.7177.900000112.2K15 S89K15-G92 PolarHBondContact NZ-O 3Å; S89-G92 PolarHBondContact O-N 2.83Å; S89-G92 VanDerWaalsContact O-N 3.14Å; S89-G92 WeakPolarHBondContact OG-CA 3.48Å; S89-G92 PolarHBondContact OG-N 3.26Å
93P91.4Very high93Very high51 Ų5153.2 Ų53.233%0.33131%0.307SS..PPolyproline II helixtrans-59.2155.9177.728.5-35.9000112K15 E114K15-P93 WeakPolarHBondContact CE-O 3.49Å; K15-P93 PolarHBondContact NZ-O 3.13Å; P93-E114 HydrophobicContact CG-CG 3.81Å; P93-E114 WeakPolarHBondContact CG-OE1 3.47Å
94P91.7Very high92.9Very high85 Ų8558.4 Ų58.455%0.55233%0.331SS*.PPolyproline II helixtrans-65.7143.1174.329.1-34.4000110.4N13N13-P94 HydrophobicContact CB-CB 4.14Å
95I94.9Very high92.9Very high0 Ų059.8 Ų59.80%035%0.35CS..  trans-108.9112.5178.6-59.3161.9000107.9D12 N13 A14 K15 F86 F97 L112 E114D12-I95 CarbonylContact C-O 3.54Å; D12-I95 CarbonylContact O-C 3.38Å; N13-I95 CarbonylContact C-O 3.57Å; N13-I95 VanDerWaalsContact CA-O 3.23Å; N13-I95 WeakPolarHBondContact CA-O 3.41Å; A14-I95 HydrophobicContact CB-CB 4.17Å; A14-I95 HydrophobicContact CB-CG2 4.19Å; A14-I95 PolarHBondContact N-O 3.28Å; K15-I95 HydrophobicContact CD-CD1 4.42Å; K15-I95 VanDerWaalsContact CE-CD1 3.46Å; K15-I95 HydrophobicContact CG-CD1 4.09Å; F86-I95 HydrophobicContact CB-CD1 3.7Å; F86-I95 HydrophobicContact CB-CG1 4.08Å; F86-I95 HydrophobicContact CD2-CG2 3.92Å; I95-F97 PolarHBondContact O-N 3.07Å; I95-L112 HydrophobicContact CG2-CB 4.16Å; I95-L112 HydrophobicContact CG2-CD2 3.85Å; I95-E114 HydrophobicContact CG1-CB 4.49Å
96S95.9Very high92.9Very high32 Ų3256.3 Ų56.322%0.22433%0.334CS..EExtended strand (participates in β ladder)trans-64.3135.4173.9175.20000109.1L112 E113S96-L112 CarbonylContact O-C 3.48Å; S96-L112 VanDerWaalsContact O-CA 3.25Å; S96-L112 WeakPolarHBondContact O-CA 3.21Å; S96-E113 PolarHBondContact N-O 3.19Å; S96-E113 PolarHBondContact O-N 2.83Å
97F96.7Very high93Very high3 Ų355.1 Ų55.11%0.01333%0.333CS..EExtended strand (participates in β ladder)trans-134.1128.4-177.4164.3-122.7000111L9 A10 M11 A14 I17 L83 I95 L99 I110 L111 L112L9-F97 HydrophobicContact CD1-CD1 3.91Å; L9-F97 HydrophobicContact CD1-CE1 3.37Å; L9-F97 HydrophobicContact CD1-CZ 3.95Å; A10-F97 CarbonylContact C-O 3.5Å; A10-F97 VanDerWaalsContact CA-O 3.24Å; A10-F97 WeakPolarHBondContact CA-O 3.28Å; M11-F97 HydrophobicContact CE-CD1 3.65Å; M11-F97 HydrophobicContact CE-CE1 3.95Å; M11-F97 HydrophobicContact CG-CB 3.76Å; M11-F97 HydrophobicContact CG-CD1 3.66Å; M11-F97 HydrophobicContact CG-CG 4.2Å; M11-F97 PolarHBondContact N-O 2.92Å; M11-F97 PolarHBondContact O-N 2.82Å; M11-F97 HydrophobicContact SD-CB 4.39Å; M11-F97 HydrophobicContact SD-CD1 3.61Å; M11-F97 HydrophobicContact SD-CE1 4.4Å; M11-F97 HydrophobicContact SD-CG 4.46Å; A14-F97 HydrophobicContact CB-CB 3.72Å; A14-F97 HydrophobicContact CB-CG 4.32Å; I17-F97 HydrophobicContact CD1-CD1 3.94Å; I17-F97 HydrophobicContact CD1-CE1 3.45Å; I17-F97 VanDerWaalsContact CD1-CE1 3.45Å; I17-F97 HydrophobicContact CD1-CZ 4.16Å; L83-F97 HydrophobicContact CD2-CD1 4.41Å; L83-F97 HydrophobicContact CD2-CD2 3.63Å; L83-F97 HydrophobicContact CD2-CE1 4.21Å; L83-F97 HydrophobicContact CD2-CE2 3.39Å; L83-F97 HydrophobicContact CD2-CG 4.15Å; L83-F97 HydrophobicContact CD2-CZ 3.7Å; I95-F97 PolarHBondContact O-N 3.07Å; F97-L99 HydrophobicContact CE1-CB 4.31Å; F97-L99 HydrophobicContact CE2-CB 3.81Å; F97-L99 HydrophobicContact CZ-CB 3.51Å; F97-L99 HydrophobicContact CZ-CD1 3.91Å; F97-L99 HydrophobicContact CZ-CG 4.37Å; F97-I110 HydrophobicContact CD2-CG2 3.92Å; F97-I110 HydrophobicContact CE2-CB 4.32Å; F97-I110 HydrophobicContact CE2-CG1 4.08Å; F97-I110 HydrophobicContact CE2-CG2 3.64Å; F97-L111 WeakPolarHBondContact CA-O 3.49Å; F97-L112 HydrophobicContact CB-CD2 3.7Å; F97-L112 HydrophobicContact CD2-CD2 3.66Å; F97-L112 HydrophobicContact CD2-CG 4.47Å; F97-L112 HydrophobicContact CG-CD2 4.06Å
98I98.1Very high93.3Very high40 Ų4053.9 Ų53.921%0.20532%0.319CS..EExtended strand (participates in β ladder)trans-123.1134.2170.8-57178.3000108.2Y8 L9 A10 I110 L111Y8-I98 HydrophobicContact CD2-CG2 4.38Å; Y8-I98 HydrophobicContact CE2-CG2 3.73Å; L9-I98 VanDerWaalsContact O-CA 3.32Å; L9-I98 WeakPolarHBondContact O-CA 3.23Å; A10-I98 HydrophobicContact CB-CG1 3.99Å; I98-I110 CarbonylContact O-C 3.57Å; I98-I110 WeakPolarHBondContact O-CA 3.06Å; I98-L111 HydrophobicContact CB-CB 4.2Å; I98-L111 HydrophobicContact CD1-CD2 4.39Å; I98-L111 PolarHBondContact N-O 2.93Å; I98-L111 PolarHBondContact O-N 2.79Å
99L98.2Very high93.7Very high17 Ų1752.8 Ų52.89%0.08931%0.312CS..EExtended strand (participates in β ladder)trans-122.9133.7169.3177.3156.4000109.8I7 Y8 L9 F97 L108 N109 I110I7-L99 HydrophobicContact CG2-CD2 4.4Å; Y8-L99 WeakPolarHBondContact CA-O 3.39Å; L9-L99 HydrophobicContact CD1-CB 3.74Å; L9-L99 HydrophobicContact CD2-CB 4.33Å; L9-L99 HydrophobicContact CD2-CD2 4.21Å; L9-L99 HydrophobicContact CG-CB 3.87Å; L9-L99 HydrophobicContact CG-CD2 4.4Å; L9-L99 PolarHBondContact N-O 3.5Å; L9-L99 PolarHBondContact O-N 3.01Å; F97-L99 HydrophobicContact CE1-CB 4.31Å; F97-L99 HydrophobicContact CE2-CB 3.81Å; F97-L99 HydrophobicContact CZ-CB 3.51Å; F97-L99 HydrophobicContact CZ-CD1 3.91Å; F97-L99 HydrophobicContact CZ-CG 4.37Å; L99-L108 HydrophobicContact CD1-CD2 4.43Å; L99-L108 HydrophobicContact CD2-CD2 4.18Å; L99-N109 CarbonylContact C-O 3.57Å; L99-N109 WeakPolarHBondContact CA-O 3.35Å; L99-I110 HydrophobicContact CD1-CG1 4.22Å; L99-I110 HydrophobicContact CG-CG1 4.39Å
100S97.9Very high94.3Very high24 Ų2449.7 Ų49.717%0.16829%0.29CS..EExtended strand (participates in β ladder)trans-131.7134.2173.566.40000112I7 N109I7-S100 WeakPolarHBondContact O-CA 3.26Å; S100-N109 PolarHBondContact N-O 3.12Å; S100-N109 PolarHBondContact O-N 3.09Å; S100-N109 PolarHBondContact O-ND2 3.2Å
101Y98.1Very high95.2Very high1 Ų147.6 Ų47.60%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-122.5104.8174.3-177.5-113.1000108.5P5 L6 I7 V70 F72 T103 H104 G105 S106 L108 T125P5-Y101 WeakPolarHBondContact CB-O 3.21Å; L6-Y101 WeakPolarHBondContact CA-O 3.44Å; L6-Y101 HydrophobicContact CB-CD1 4.13Å; L6-Y101 WeakPolarHBondContact CB-O 3.21Å; L6-Y101 HydrophobicContact CD1-CD1 4.37Å; L6-Y101 HydrophobicContact CD1-CE1 4.18Å; L6-Y101 PolarHBondContact N-O 3.06Å; I7-Y101 HydrophobicContact CD1-CD1 4Å; I7-Y101 HydrophobicContact CD1-CG 4.39Å; I7-Y101 HydrophobicContact CG1-CD1 4.4Å; I7-Y101 PolarHBondContact N-O 2.92Å; I7-Y101 VanDerWaalsContact N-O 3.1Å; I7-Y101 PolarHBondContact O-N 2.96Å; V70-Y101 HydrophobicContact CG1-CD1 4.01Å; V70-Y101 HydrophobicContact CG1-CE1 3.82Å; F72-Y101 HydrophobicContact CD1-CD1 4.24Å; F72-Y101 AromaticContact CD1-CE1 3.87Å; F72-Y101 HydrophobicContact CD1-CE1 3.87Å; F72-Y101 HydrophobicContact CD1-CE2 4.14Å; F72-Y101 AromaticContact CD1-CZ 3.8Å; F72-Y101 HydrophobicContact CE1-CD1 4.21Å; F72-Y101 HydrophobicContact CE1-CD2 4.46Å; F72-Y101 HydrophobicContact CE1-CE1 4.31Å; F72-Y101 HydrophobicContact CE1-CG 4.28Å; F72-Y101 HydrophobicContact CG-CE2 4.32Å; Y101-T103 WeakPolarHBondContact CE1-O 3.48Å; Y101-T103 PolarHBondContact OH-O 2.85Å; Y101-H104 WeakPolarHBondContact OH-CA 3.32Å; Y101-G105 PolarHBondContact OH-N 2.61Å; Y101-S106 WeakPolarHBondContact CE2-O 3.21Å; Y101-L108 HydrophobicContact CD2-CD2 3.74Å; Y101-L108 HydrophobicContact CD2-CG 4.41Å; Y101-L108 HydrophobicContact CG-CD2 4.19Å; Y101-T125 HydrophobicContact CD2-CG2 4.32Å; Y101-T125 HydrophobicContact CE2-CG2 3.76Å
102K96.3Very high95.9Very high130 Ų13038 Ų3857%0.56523%0.23SC*.  trans-72-56-164.8-68-176.6-179.1178.70112.7P5 L6 S106P5-K102 HydrophobicContact CB-CG 4.4Å; L6-K102 WeakPolarHBondContact CG-O 3.47Å; L6-K102 PolarHBondContact N-O 3.41Å; K102-S106 PolarHBondContact N-OG 3.04Å
103T95.3Very high96.4Very high87 Ų8741.1 Ų41.153%0.53424%0.239SC..SBendtrans-141.6165-177.1580000110.3Y101 G105 S106Y101-T103 WeakPolarHBondContact CE1-O 3.48Å; Y101-T103 PolarHBondContact OH-O 2.85Å; T103-G105 PolarHBondContact O-N 3.25Å; T103-S106 PolarHBondContact N-OG 3.46Å; T103-S106 VanDerWaalsContact O-CB 3.24Å; T103-S106 WeakPolarHBondContact O-CB 3.49Å; T103-S106 PolarHBondContact O-N 3.13Å; T103-S106 PolarHBondContact O-OG 2.85Å
104H94.5Very high96.6Very high110 Ų11040.6 Ų40.651%0.50923%0.232SC..THydrogen-bonded Turntrans-60.2132176.7-172.7-90000110.7Y101 S106Y101-H104 WeakPolarHBondContact OH-CA 3.32Å; H104-S106 PolarHBondContact O-N 3.17Å
105G94.5Very high96.7Very high54 Ų5443.1 Ų43.156%0.55724%0.241SC*.THydrogen-bonded Turntrans77.7-3.7-174.300000115.4Y101 T103Y101-G105 PolarHBondContact OH-N 2.61Å; T103-G105 PolarHBondContact O-N 3.25Å
106S96.3Very high96.6Very high25 Ų2545.8 Ų45.818%0.17527%0.269CS..PPolyproline II helixtrans-69.3164.7172.471.10000111.5Y101 K102 T103 H104 T125Y101-S106 WeakPolarHBondContact CE2-O 3.21Å; K102-S106 PolarHBondContact N-OG 3.04Å; T103-S106 PolarHBondContact N-OG 3.46Å; T103-S106 VanDerWaalsContact O-CB 3.24Å; T103-S106 WeakPolarHBondContact O-CB 3.49Å; T103-S106 PolarHBondContact O-N 3.13Å; T103-S106 PolarHBondContact O-OG 2.85Å; H104-S106 PolarHBondContact O-N 3.17Å; S106-T125 WeakPolarHBondContact O-CG2 3.46Å; S106-T125 PolarHBondContact O-OG1 2.99Å
107A97.7Very high96.6Very high21 Ų2148.5 Ų48.517%0.17428%0.284CS..PPolyproline II helixtrans-75.8152.9172.100000111.6N109 N122 I123A107-N109 PolarHBondContact O-N 3.11Å; A107-N109 PolarHBondContact O-ND2 3.32Å; A107-N122 VanDerWaalsContact CB-CG 3.49Å; A107-N122 VanDerWaalsContact CB-ND2 3.32Å; A107-N122 WeakPolarHBondContact CB-ND2 3.44Å; A107-N122 WeakPolarHBondContact CB-OD1 3.43Å; A107-I123 CarbonylContact C-O 3.58Å; A107-I123 WeakPolarHBondContact CA-O 3.41Å; A107-I123 WeakPolarHBondContact CB-O 3.32Å
108L97.5Very high96.6Very high2 Ų252.2 Ų52.21%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-74.5119.4166.3-63162.9000108.3F72 T74 L99 Y101 N122 I123 T125F72-L108 HydrophobicContact CD2-CD1 4.45Å; F72-L108 HydrophobicContact CE1-CD2 4.25Å; F72-L108 HydrophobicContact CE2-CD1 3.64Å; F72-L108 HydrophobicContact CE2-CD2 3.65Å; F72-L108 HydrophobicContact CE2-CG 4.01Å; F72-L108 HydrophobicContact CZ-CD1 4.26Å; F72-L108 HydrophobicContact CZ-CD2 3.46Å; F72-L108 VanDerWaalsContact CZ-CD2 3.46Å; F72-L108 HydrophobicContact CZ-CG 4.32Å; T74-L108 HydrophobicContact CG2-CD1 4.08Å; L99-L108 HydrophobicContact CD1-CD2 4.43Å; L99-L108 HydrophobicContact CD2-CD2 4.18Å; Y101-L108 HydrophobicContact CD2-CD2 3.74Å; Y101-L108 HydrophobicContact CD2-CG 4.41Å; Y101-L108 HydrophobicContact CG-CD2 4.19Å; L108-N122 WeakPolarHBondContact O-CA 3.25Å; L108-I123 HydrophobicContact CB-CB 4.3Å; L108-I123 PolarHBondContact N-O 3.33Å; L108-I123 PolarHBondContact O-N 2.83Å; L108-T125 HydrophobicContact CD1-CG2 3.98Å; L108-T125 HydrophobicContact CD2-CG2 4.34Å; L108-T125 HydrophobicContact CG-CG2 3.62Å
109N98.1Very high96.6Very high30 Ų3051 Ų5116%0.1630%0.302CS..EExtended strand (participates in β ladder)trans-98.1124.7173.2-49.4-75.6000107.9L99 S100 A107 N122L99-N109 CarbonylContact C-O 3.57Å; L99-N109 WeakPolarHBondContact CA-O 3.35Å; S100-N109 PolarHBondContact N-O 3.12Å; S100-N109 PolarHBondContact O-N 3.09Å; S100-N109 PolarHBondContact O-ND2 3.2Å; A107-N109 PolarHBondContact O-N 3.11Å; A107-N109 PolarHBondContact O-ND2 3.32Å; N109-N122 PolarHBondContact OD1-ND2 2.81Å
110I98Very high96.5Very high2 Ų257.4 Ų57.41%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-118.3128.6-178.9-67.4172000107.4L79 F97 I98 L99 L112 E120 C121 I123L79-I110 HydrophobicContact CD1-CD1 3.35Å; F97-I110 HydrophobicContact CD2-CG2 3.92Å; F97-I110 HydrophobicContact CE2-CB 4.32Å; F97-I110 HydrophobicContact CE2-CG1 4.08Å; F97-I110 HydrophobicContact CE2-CG2 3.64Å; I98-I110 CarbonylContact O-C 3.57Å; I98-I110 WeakPolarHBondContact O-CA 3.06Å; L99-I110 HydrophobicContact CD1-CG1 4.22Å; L99-I110 HydrophobicContact CG-CG1 4.39Å; I110-L112 HydrophobicContact CG2-CD1 4.17Å; I110-L112 HydrophobicContact CG2-CG 3.94Å; I110-E120 CarbonylContact O-C 3.57Å; I110-E120 WeakPolarHBondContact O-CA 3.45Å; I110-C121 HydrophobicContact CB-CB 4.1Å; I110-C121 HydrophobicContact CG2-CB 4.46Å; I110-C121 PolarHBondContact N-O 3.21Å; I110-C121 PolarHBondContact O-N 2.81Å; I110-I123 HydrophobicContact CD1-CD1 3.6Å; I110-I123 HydrophobicContact CD1-CG1 4.33Å
111L98Very high96.5Very high63 Ų6357.2 Ų57.233%0.3333%0.33SS..EExtended strand (participates in β ladder)trans-116.5126.4171.8-165.472.8000108.1F97 I98 V118 A119 E120F97-L111 WeakPolarHBondContact CA-O 3.49Å; I98-L111 HydrophobicContact CB-CB 4.2Å; I98-L111 HydrophobicContact CD1-CD2 4.39Å; I98-L111 PolarHBondContact N-O 2.93Å; I98-L111 PolarHBondContact O-N 2.79Å; L111-V118 HydrophobicContact CD1-CG1 3.35Å; L111-V118 HydrophobicContact CG-CG1 3.92Å; L111-A119 WeakPolarHBondContact CA-O 3.35Å; L111-E120 HydrophobicContact CD1-CB 4.2Å; L111-E120 HydrophobicContact CD1-CG 4.48Å
112L97.9Very high96.5Very high1 Ų161.9 Ų61.91%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-120.5139.6175.5-65163.6000109.2A14 C82 L83 I85 F86 I95 S96 F97 I110 V118 A119A14-L112 HydrophobicContact CB-CD2 3.97Å; C82-L112 WeakPolarHBondContact O-CD1 3.37Å; L83-L112 HydrophobicContact CD2-CD2 4.26Å; I85-L112 HydrophobicContact CG2-CD1 3.75Å; F86-L112 HydrophobicContact CD2-CB 4.11Å; F86-L112 HydrophobicContact CE2-CB 3.75Å; I95-L112 HydrophobicContact CG2-CB 4.16Å; I95-L112 HydrophobicContact CG2-CD2 3.85Å; S96-L112 CarbonylContact O-C 3.48Å; S96-L112 VanDerWaalsContact O-CA 3.25Å; S96-L112 WeakPolarHBondContact O-CA 3.21Å; F97-L112 HydrophobicContact CB-CD2 3.7Å; F97-L112 HydrophobicContact CD2-CD2 3.66Å; F97-L112 HydrophobicContact CD2-CG 4.47Å; F97-L112 HydrophobicContact CG-CD2 4.06Å; I110-L112 HydrophobicContact CG2-CD1 4.17Å; I110-L112 HydrophobicContact CG2-CG 3.94Å; L112-V118 CarbonylContact O-C 3.54Å; L112-V118 WeakPolarHBondContact O-CA 3.31Å; L112-A119 HydrophobicContact CB-CB 4.44Å; L112-A119 PolarHBondContact N-O 2.93Å; L112-A119 PolarHBondContact O-N 3.25Å
113E97Very high96.6Very high86 Ų8656 Ų5640%0.40233%0.33SS..EExtended strand (participates in β ladder)trans-135.5129.1176.7-176.7-176.4166.100111.2S96 V117 V118S96-E113 PolarHBondContact N-O 3.19Å; S96-E113 PolarHBondContact O-N 2.83Å; E113-V117 WeakPolarHBondContact CA-O 3.43Å; E113-V118 HydrophobicContact CB-CG2 4.25Å; E113-V118 HydrophobicContact CG-CG2 3.96Å
114E95.9Very high96.7Very high39 Ų3960.2 Ų60.218%0.18234%0.341CS..EExtended strand (participates in β ladder)trans-133.4121.5172.3-173.2-172.4-104.500109F86 P93 I95 G116 V117F86-E114 HydrophobicContact CB-CB 4.24Å; F86-E114 HydrophobicContact CD1-CB 3.93Å; F86-E114 HydrophobicContact CD2-CB 3.97Å; F86-E114 HydrophobicContact CE1-CB 4.25Å; F86-E114 HydrophobicContact CE2-CB 4.28Å; F86-E114 HydrophobicContact CG-CB 3.79Å; F86-E114 HydrophobicContact CZ-CB 4.41Å; P93-E114 HydrophobicContact CG-CG 3.81Å; P93-E114 WeakPolarHBondContact CG-OE1 3.47Å; I95-E114 HydrophobicContact CG1-CB 4.49Å; E114-G116 PolarHBondContact O-N 2.95Å; E114-G116 VanDerWaalsContact O-N 3.11Å; E114-V117 PolarHBondContact N-O 3.36Å; E114-V117 WeakPolarHBondContact O-CB 3.31Å; E114-V117 PolarHBondContact O-N 3.42Å
115N93Very high96.8Very high138 Ų13856 Ų5674%0.73832%0.322SS*.THydrogen-bonded Turntrans49.538.9177-62.3-38.1000114.6V117N115-V117 VanDerWaalsContact C-N 3.28Å; N115-V117 PolarHBondContact O-N 3.13Å
116G92.9Very high97Very high57 Ų5758.5 Ų58.559%0.58832%0.321SS*.THydrogen-bonded Turntrans80.4-0.5-179.600000115.2E114E114-G116 PolarHBondContact O-N 2.95Å; E114-G116 VanDerWaalsContact O-N 3.11Å
117V96.4Very high96.9Very high89 Ų8963.8 Ų63.854%0.53934%0.343SS..EExtended strand (participates in β ladder)trans-89.9124.4169.4-1770000108.6F86 E113 E114 N115F86-V117 HydrophobicContact CE1-CB 4.14Å; F86-V117 HydrophobicContact CE1-CG1 3.85Å; F86-V117 HydrophobicContact CZ-CB 4.35Å; F86-V117 HydrophobicContact CZ-CG1 4.06Å; F86-V117 WeakPolarHBondContact CZ-O 3.47Å; E113-V117 WeakPolarHBondContact CA-O 3.43Å; E114-V117 PolarHBondContact N-O 3.36Å; E114-V117 WeakPolarHBondContact O-CB 3.31Å; E114-V117 PolarHBondContact O-N 3.42Å; N115-V117 VanDerWaalsContact C-N 3.28Å; N115-V117 PolarHBondContact O-N 3.13Å
118V97.1Very high96.6Very high81 Ų8163.9 Ų63.949%0.49134%0.344SS..EExtended strand (participates in β ladder)trans-109.4132.2-177.1-179.60000110.2L111 L112 E113L111-V118 HydrophobicContact CD1-CG1 3.35Å; L111-V118 HydrophobicContact CG-CG1 3.92Å; L112-V118 CarbonylContact O-C 3.54Å; L112-V118 WeakPolarHBondContact O-CA 3.31Å; E113-V118 HydrophobicContact CB-CG2 4.25Å; E113-V118 HydrophobicContact CG-CG2 3.96Å
119A97.5Very high96Very high14 Ų1470 Ų7012%0.11637%0.371CS..EExtended strand (participates in β ladder)trans-117.6129.1172.200000110.2I85 F86 L111 L112I85-A119 HydrophobicContact CD1-CB 3.99Å; I85-A119 HydrophobicContact CG2-CB 4.04Å; F86-A119 HydrophobicContact CE2-CB 3.92Å; F86-A119 HydrophobicContact CZ-CB 3.88Å; L111-A119 WeakPolarHBondContact CA-O 3.35Å; L112-A119 HydrophobicContact CB-CB 4.44Å; L112-A119 PolarHBondContact N-O 2.93Å; L112-A119 PolarHBondContact O-N 3.25Å
120E97.6Very high95.4Very high152 Ų15276.4 Ų76.471%0.7140%0.4SS*.EExtended strand (participates in β ladder)trans-111.5127.2176.2-172.1178.2-178.700109.9I110 L111I110-E120 CarbonylContact O-C 3.57Å; I110-E120 WeakPolarHBondContact O-CA 3.45Å; L111-E120 HydrophobicContact CD1-CB 4.2Å; L111-E120 HydrophobicContact CD1-CG 4.48Å
121C97.3Very high94.9Very high19 Ų1978.2 Ų78.213%0.12841%0.409CS..EExtended strand (participates in β ladder)trans-122.2139.7177.8-63.70000110.2C82 I110C82-C121 HydrophobicContact CB-CB 3.93Å; C82-C121 VanDerWaalsContact SG-CB 3.56Å; I110-C121 HydrophobicContact CB-CB 4.1Å; I110-C121 HydrophobicContact CG2-CB 4.46Å; I110-C121 PolarHBondContact N-O 3.21Å; I110-C121 PolarHBondContact O-N 2.81Å
122N97.3Very high94.1Very high99 Ų9978.2 Ų78.253%0.52941%0.409SS..EExtended strand (participates in β ladder)trans-123112.9177.1-175.3-80.2000109.4A107 L108 N109A107-N122 VanDerWaalsContact CB-CG 3.49Å; A107-N122 VanDerWaalsContact CB-ND2 3.32Å; A107-N122 WeakPolarHBondContact CB-ND2 3.44Å; A107-N122 WeakPolarHBondContact CB-OD1 3.43Å; L108-N122 WeakPolarHBondContact O-CA 3.25Å; N109-N122 PolarHBondContact OD1-ND2 2.81Å
123I97.9Very high93.4Very high8 Ų883.5 Ų83.54%0.04144%0.437CS..EExtended strand (participates in β ladder)trans-110.3122.6-176.1-49.2178.6000109.4T74 V78 L79 C82 A107 L108 I110T74-I123 VanDerWaalsContact OG1-CG2 3.22Å; T74-I123 WeakPolarHBondContact OG1-CG2 3.39Å; V78-I123 HydrophobicContact CG1-CD1 4.12Å; V78-I123 HydrophobicContact CG1-CG1 4.1Å; V78-I123 HydrophobicContact CG1-CG2 4.14Å; L79-I123 HydrophobicContact CB-CD1 3.97Å; L79-I123 HydrophobicContact CD1-CD1 3.9Å; C82-I123 HydrophobicContact CB-CD1 4.32Å; A107-I123 CarbonylContact C-O 3.58Å; A107-I123 WeakPolarHBondContact CA-O 3.41Å; A107-I123 WeakPolarHBondContact CB-O 3.32Å; L108-I123 HydrophobicContact CB-CB 4.3Å; L108-I123 PolarHBondContact N-O 3.33Å; L108-I123 PolarHBondContact O-N 2.83Å; I110-I123 HydrophobicContact CD1-CD1 3.6Å; I110-I123 HydrophobicContact CD1-CG1 4.33Å
124K97.7Very high92.3Very high175 Ų17579.9 Ų79.976%0.76142%0.42SS*.  trans-63.6136.4177.2-68-176.7179.81780110.6
125T98Very high91.2Very high20 Ų2081.2 Ų81.212%0.12343%0.429CS..EExtended strand (participates in β ladder)trans-101.9161.717366.90000111.3F72 R73 Y101 S106 L108F72-T125 HydrophobicContact CD2-CG2 3.66Å; F72-T125 HydrophobicContact CE2-CG2 4.17Å; F72-T125 HydrophobicContact CG-CG2 4.19Å; R73-T125 CarbonylContact O-C 3.49Å; R73-T125 VanDerWaalsContact O-CA 3.26Å; R73-T125 WeakPolarHBondContact O-CA 3.43Å; Y101-T125 HydrophobicContact CD2-CG2 4.32Å; Y101-T125 HydrophobicContact CE2-CG2 3.76Å; S106-T125 WeakPolarHBondContact O-CG2 3.46Å; S106-T125 PolarHBondContact O-OG1 2.99Å; L108-T125 HydrophobicContact CD1-CG2 3.98Å; L108-T125 HydrophobicContact CD2-CG2 4.34Å; L108-T125 HydrophobicContact CG-CG2 3.62Å
126M97.2Very high90.2Very high107 Ų10775.6 Ų75.653%0.52740%0.398SS..EExtended strand (participates in β ladder)trans-126.1162.2175.1-49172.4102.700108.6L29 R73L29-M126 HydrophobicContact CD1-SD 4.49Å; L29-M126 HydrophobicContact CD2-SD 4.19Å; R73-M126 HydrophobicContact CB-CB 4.06Å; R73-M126 PolarHBondContact N-O 3.3Å; R73-M126 PolarHBondContact O-N 2.94Å
127E95.6Very high89Confident136 Ų13677.3 Ų77.364%0.63640%0.4SS*.PPolyproline II helixtrans-59.8140172.6-170167.5-165.100110.8
128A91.9Very high87.5Confident24 Ų2476 Ų7620%0.19840%0.395CS..PPolyproline II helixtrans-73.5138.917500000110.2T31T31-A128 HydrophobicContact CG2-CB 4.13Å
129F84.3Confident86.2Confident130 Ų13073 Ų7357%0.5738%0.378SS*.PPolyproline II helixtrans-100.1163.6168.7-57.9-44.9000109.9I131F129-I131 PolarHBondContact O-N 3.29Å
130E85.5Confident84.9Confident165 Ų16580.1 Ų80.177%0.77141%0.414SS*.PPolyproline II helixtrans-60125.7168.2-168.8174.1-168.200109.2
131I86.3Confident83.8Confident39 Ų3976.8 Ų76.820%0.240%0.4CS..PPolyproline II helixtrans-89.5155.9173.258.9163.7000109.1T31 F33 T42 F129 D133T31-I131 HydrophobicContact CG2-CG2 4.29Å; F33-I131 HydrophobicContact CE2-CD1 3.71Å; F33-I131 HydrophobicContact CE2-CG1 4.37Å; F33-I131 HydrophobicContact CE2-CG2 4.09Å; F33-I131 HydrophobicContact CZ-CD1 3.69Å; F33-I131 HydrophobicContact CZ-CG1 3.9Å; F33-I131 HydrophobicContact CZ-CG2 3.84Å; T42-I131 HydrophobicContact CG2-CD1 4.26Å; T42-I131 HydrophobicContact CG2-CG2 4.15Å; F129-I131 PolarHBondContact O-N 3.29Å; I131-D133 PolarHBondContact O-N 3.2Å
132L82.1Confident83.1Confident64 Ų6477.7 Ų77.734%0.33541%0.407SS..PPolyproline II helixtrans-66.4128.6176-165.368.7000110.1E44 K47 Q50 F134E44-L132 VanDerWaalsContact OE1-CB 3.24Å; E44-L132 WeakPolarHBondContact OE1-CB 3.43Å; E44-L132 PolarHBondContact OE1-N 3.11Å; K47-L132 WeakPolarHBondContact O-CD2 3.34Å; Q50-L132 PolarHBondContact NE2-O 3.46Å; L132-F134 HydrophobicContact CB-CD2 4.39Å; L132-F134 HydrophobicContact CB-CE2 3.98Å; L132-F134 HydrophobicContact CD2-CD1 4.37Å; L132-F134 HydrophobicContact CD2-CD2 4.24Å; L132-F134 HydrophobicContact CD2-CE1 3.93Å; L132-F134 HydrophobicContact CD2-CE2 3.69Å; L132-F134 HydrophobicContact CD2-CZ 3.58Å; L132-F134 HydrophobicContact CG-CD2 4.32Å; L132-F134 HydrophobicContact CG-CE2 4.09Å; L132-F134 HydrophobicContact CG-CZ 4.45Å
133D81.9Confident82.9Confident111 Ų11173 Ų7359%0.59438%0.382SS*.  trans-91.9111.6165.4-168.1-7.4000108.4I131 D135I131-D133 PolarHBondContact O-N 3.2Å; D133-D135 PolarHBondContact O-N 2.69Å; D133-D135 PolarHBondContact OD1-N 3.15Å
134F74.3Confident82.7Confident10 Ų1074.3 Ų74.34%0.04439%0.387CS..  trans-77.1-13.2177.9-74.1-97.7000112.3Q50 L132 F136 F245 F265 V267Q50-F134 HydrophobicContact CB-CD2 4.3Å; Q50-F134 HydrophobicContact CB-CE2 3.31Å; Q50-F134 HydrophobicContact CB-CZ 3.76Å; Q50-F134 HydrophobicContact CG-CE2 4.15Å; L132-F134 HydrophobicContact CB-CD2 4.39Å; L132-F134 HydrophobicContact CB-CE2 3.98Å; L132-F134 HydrophobicContact CD2-CD1 4.37Å; L132-F134 HydrophobicContact CD2-CD2 4.24Å; L132-F134 HydrophobicContact CD2-CE1 3.93Å; L132-F134 HydrophobicContact CD2-CE2 3.69Å; L132-F134 HydrophobicContact CD2-CZ 3.58Å; L132-F134 HydrophobicContact CG-CD2 4.32Å; L132-F134 HydrophobicContact CG-CE2 4.09Å; L132-F134 HydrophobicContact CG-CZ 4.45Å; F134-F136 PolarHBondContact O-N 3.28Å; F134-F136 VanDerWaalsContact O-N 3.09Å; F134-F245 AromaticContact CD1-CD1 3.65Å; F134-F245 HydrophobicContact CD1-CD1 3.65Å; F134-F245 AromaticContact CD1-CE1 3.75Å; F134-F245 HydrophobicContact CD1-CE1 3.75Å; F134-F245 HydrophobicContact CE1-CD1 4.24Å; F134-F245 HydrophobicContact CE1-CE1 4.28Å; F134-F265 HydrophobicContact CB-CB 4.24Å; F134-F265 HydrophobicContact CB-CD1 4.27Å; F134-F265 HydrophobicContact CB-CG 4.13Å; F134-F265 HydrophobicContact CD1-CB 3.52Å; F134-F265 HydrophobicContact CD1-CG 4.31Å; F134-F265 HydrophobicContact CD2-CB 3.64Å; F134-F265 HydrophobicContact CD2-CD2 4.08Å; F134-F265 AromaticContact CD2-CG 3.99Å; F134-F265 HydrophobicContact CD2-CG 3.99Å; F134-F265 HydrophobicContact CE1-CB 3.56Å; F134-F265 HydrophobicContact CE2-CB 3.75Å; F134-F265 HydrophobicContact CE2-CG 4.49Å; F134-F265 HydrophobicContact CG-CB 3.52Å; F134-F265 HydrophobicContact CG-CD1 4.44Å; F134-F265 HydrophobicContact CG-CD2 4.39Å; F134-F265 AromaticContact CG-CG 3.88Å; F134-F265 HydrophobicContact CG-CG 3.88Å; F134-F265 HydrophobicContact CZ-CB 3.67Å; F134-V267 HydrophobicContact CD1-CG2 4.31Å; F134-V267 HydrophobicContact CE1-CG2 3.5Å; F134-V267 HydrophobicContact CZ-CG2 4.26Å
135D73.1Confident82.6Confident68 Ų6866 Ų6636%0.36435%0.351SS..  trans44.145.2-178.8-172.936000112.1D133 S137 S138 R243D133-D135 PolarHBondContact O-N 2.69Å; D133-D135 PolarHBondContact OD1-N 3.15Å; D135-S137 VanDerWaalsContact C-N 3.33Å; D135-S138 PolarHBondContact O-OG 2.87Å; D135-S138 VanDerWaalsContact OD1-CB 3.23Å; D135-S138 WeakPolarHBondContact OD1-CB 3.32Å; D135-S138 PolarHBondContact OD1-OG 2.72Å; D135-S138 VanDerWaalsContact OD2-CB 3.31Å; D135-S138 WeakPolarHBondContact OD2-CB 3.28Å; D135-S138 PolarHBondContact OD2-OG 2.75Å; D135-R243 PolarHBondContact O-NH2 3.47Å; D135-R243 IonicContact OD2-NH2 3.49Å
136F72.3Confident82.6Confident20 Ų2065.2 Ų65.29%0.08835%0.346CS..G310 helixtrans-69.7-35.4-173.4-163.9-82.7000111.5F134 S138 S139 R239 N241 F245 F265F134-F136 PolarHBondContact O-N 3.28Å; F134-F136 VanDerWaalsContact O-N 3.09Å; F136-S138 VanDerWaalsContact C-N 3.28Å; F136-S138 PolarHBondContact O-N 3.07Å; F136-S139 PolarHBondContact O-N 2.92Å; F136-R239 HydrophobicContact CE1-CB 3.83Å; F136-R239 HydrophobicContact CZ-CB 3.72Å; F136-R239 WeakPolarHBondContact CZ-O 3.25Å; F136-N241 HydrophobicContact CE2-CB 4.07Å; F136-N241 HydrophobicContact CZ-CB 4Å; F136-F245 HydrophobicContact CD2-CB 4.06Å; F136-F245 HydrophobicContact CE2-CB 4.02Å; F136-F245 WeakPolarHBondContact CE2-O 3.4Å; F136-F265 HydrophobicContact CB-CD1 4.24Å; F136-F265 HydrophobicContact CB-CE1 3.73Å; F136-F265 HydrophobicContact CD2-CD1 4.15Å; F136-F265 HydrophobicContact CD2-CE1 4.22Å; F136-F265 HydrophobicContact CG-CD1 4.36Å; F136-F265 AromaticContact CG-CE1 3.98Å; F136-F265 HydrophobicContact CG-CE1 3.98Å
137S67.4Low82.6Confident92 Ų9260.1 Ų60.164%0.64332%0.321SS*.G310 helixtrans-72.9-12-176.653.60000114.6D135 S139D135-S137 VanDerWaalsContact C-N 3.33Å; S137-S139 VanDerWaalsContact C-N 3.28Å
138S65.6Low82.7Confident61 Ų6157.5 Ų57.543%0.42731%0.308SS..G310 helixtrans-76.8-14.6175.466.80000113.6D135 F136 R243D135-S138 PolarHBondContact O-OG 2.87Å; D135-S138 VanDerWaalsContact OD1-CB 3.23Å; D135-S138 WeakPolarHBondContact OD1-CB 3.32Å; D135-S138 PolarHBondContact OD1-OG 2.72Å; D135-S138 VanDerWaalsContact OD2-CB 3.31Å; D135-S138 WeakPolarHBondContact OD2-CB 3.28Å; D135-S138 PolarHBondContact OD2-OG 2.75Å; F136-S138 VanDerWaalsContact C-N 3.28Å; F136-S138 PolarHBondContact O-N 3.07Å; S138-R243 PolarHBondContact OG-NH2 2.93Å
139S69.7Low82.9Confident19 Ų1956.6 Ų56.613%0.13330%0.3CS..  trans-86.7120.2177.8-173.90000110.9F136 S137 I141 D242F136-S139 PolarHBondContact O-N 2.92Å; S137-S139 VanDerWaalsContact C-N 3.28Å; S139-I141 PolarHBondContact O-N 3.37Å; S139-I141 PolarHBondContact OG-N 3.19Å; S139-I141 PolarHBondContact OG-O 3.37Å; S139-D242 PolarHBondContact OG-OD1 3.36Å
140N70.7Confident83.4Confident163 Ų16355.4 Ų55.487%0.87230%0.296SS*.SBendtrans-78.2-5.8172.9-64.9-36000112.7
141I73.2Confident83.7Confident82 Ų8248 Ų4842%0.42126%0.262SS..  trans-121.495.9-171.9-58.1178.3000108.1S139 A208 N241 D242S139-I141 PolarHBondContact O-N 3.37Å; S139-I141 PolarHBondContact OG-N 3.19Å; S139-I141 PolarHBondContact OG-O 3.37Å; I141-A208 HydrophobicContact CB-CB 4.41Å; I141-A208 HydrophobicContact CG2-CB 3.52Å; I141-N241 WeakPolarHBondContact O-CA 3.33Å; I141-D242 HydrophobicContact CB-CB 4.33Å; I141-D242 HydrophobicContact CG2-CB 4.39Å; I141-D242 PolarHBondContact O-N 3.35Å; I141-D242 VanDerWaalsContact O-N 3.15Å
142S83.8Confident84.1Confident39 Ų3946.1 Ų46.127%0.27325%0.253SS..EExtended strand (participates in β ladder)trans-131.5135.9173.464.20000111.9I240S142-I240 CarbonylContact C-O 3.51Å; S142-I240 WeakPolarHBondContact CA-O 3.46Å
143D92.2Very high84.7Confident0 Ų046.5 Ų46.50%025%0.25CC..EExtended strand (participates in β ladder)trans-72.1139.7161.3-59-32000107.8F145 V170 E206 S207 A208 R213 R239 I240D143-F145 HydrophobicContact CB-CE2 3.54Å; D143-F145 HydrophobicContact CB-CZ 3.66Å; D143-V170 HydrophobicContact CB-CG2 4.49Å; D143-E206 CarbonylContact C-O 3.58Å; D143-E206 VanDerWaalsContact CA-O 3.25Å; D143-E206 WeakPolarHBondContact CA-O 3.31Å; D143-S207 WeakPolarHBondContact OD1-CA 3.29Å; D143-A208 PolarHBondContact OD1-N 2.66Å; D143-R213 IonicContact OD1-CZ 3.69Å; D143-R213 IonicContact OD1-NE 3.82Å; D143-R213 IonicContact OD1-NH2 2.77Å; D143-R213 PolarHBondContact OD1-NH2 3Å; D143-R213 IonicContact OD2-CZ 3.18Å; D143-R213 IonicContact OD2-NE 3.05Å; D143-R213 PolarHBondContact OD2-NE 3.32Å; D143-R213 IonicContact OD2-NH2 2.76Å; D143-R213 PolarHBondContact OD2-NH2 2.69Å; D143-R239 CarbonylContact O-C 3.59Å; D143-R239 WeakPolarHBondContact O-CA 3.36Å; D143-I240 PolarHBondContact N-O 2.97Å; D143-I240 PolarHBondContact O-N 3.19Å
144K94.5Very high85.2Confident35 Ų3546.1 Ų46.115%0.15224%0.244CC..EExtended strand (participates in β ladder)trans-127.6126.1179.4179.1-175.2177.8-172.30109V204 E206 L238 R239 D308K144-V204 HydrophobicContact CD-CG1 4.49Å; K144-V204 HydrophobicContact CG-CG1 4.48Å; K144-E206 HydrophobicContact CB-CB 4.23Å; K144-E206 PolarHBondContact N-O 3.04Å; K144-E206 PolarHBondContact O-N 3.4Å; K144-L238 WeakPolarHBondContact CA-O 3.46Å; K144-R239 HydrophobicContact CB-CG 4.4Å; K144-R239 HydrophobicContact CG-CG 4.29Å; K144-D308 PolarHBondContact NZ-O 3Å
145F95.6Very high86Confident0 Ų045.6 Ų45.60%024%0.242CC..EExtended strand (participates in β ladder)trans-125129.2175.6-47.4-84.5000108.8D143 M147 V170 L180 V204 F205 S237 L238 I240D143-F145 HydrophobicContact CB-CE2 3.54Å; D143-F145 HydrophobicContact CB-CZ 3.66Å; F145-M147 HydrophobicContact CB-CE 3.68Å; F145-V170 HydrophobicContact CE1-CG1 4.29Å; F145-V170 HydrophobicContact CE2-CG2 3.81Å; F145-V170 HydrophobicContact CZ-CB 4.19Å; F145-V170 HydrophobicContact CZ-CG1 3.65Å; F145-V170 HydrophobicContact CZ-CG2 3.48Å; F145-V170 VanDerWaalsContact CZ-CG2 3.48Å; F145-L180 HydrophobicContact CE2-CD1 4.23Å; F145-L180 HydrophobicContact CG-CD2 4.49Å; F145-L180 HydrophobicContact CZ-CD1 4.31Å; F145-V204 CarbonylContact C-O 3.55Å; F145-V204 VanDerWaalsContact CA-O 3.3Å; F145-V204 WeakPolarHBondContact CA-O 3.47Å; F145-F205 HydrophobicContact CD1-CD1 4.5Å; F145-F205 AromaticContact CD1-CD2 3.58Å; F145-F205 HydrophobicContact CD1-CD2 3.58Å; F145-F205 AromaticContact CD1-CE2 3.81Å; F145-F205 HydrophobicContact CD1-CE2 3.81Å; F145-F205 AromaticContact CD1-CG 3.96Å; F145-F205 HydrophobicContact CD1-CG 3.96Å; F145-F205 HydrophobicContact CD1-CZ 4.37Å; F145-F205 HydrophobicContact CE1-CD1 4.04Å; F145-F205 AromaticContact CE1-CD2 3.66Å; F145-F205 HydrophobicContact CE1-CD2 3.66Å; F145-F205 AromaticContact CE1-CE1 3.87Å; F145-F205 HydrophobicContact CE1-CE1 3.87Å; F145-F205 AromaticContact CE1-CE2 3.48Å; F145-F205 HydrophobicContact CE1-CE2 3.48Å; F145-F205 VanDerWaalsContact CE1-CE2 3.48Å; F145-F205 AromaticContact CE1-CG 3.94Å; F145-F205 HydrophobicContact CE1-CG 3.94Å; F145-F205 AromaticContact CE1-CZ 3.59Å; F145-F205 HydrophobicContact CE1-CZ 3.59Å; F145-S237 CarbonylContact O-C 3.42Å; F145-S237 VanDerWaalsContact O-CA 3.24Å; F145-S237 WeakPolarHBondContact O-CA 3.18Å; F145-L238 HydrophobicContact CB-CB 4.25Å; F145-L238 HydrophobicContact CD2-CB 4.13Å; F145-L238 PolarHBondContact N-O 2.93Å; F145-L238 PolarHBondContact O-N 3.14Å; F145-I240 HydrophobicContact CE2-CD1 4.46Å
146I97.1Very high87Confident4 Ų443.1 Ų43.12%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-123.5131.1171.9-60.8-177.5000107.5E203 V204 I236 W309I146-E203 HydrophobicContact CB-CB 4.41Å; I146-E203 HydrophobicContact CG2-CB 4.08Å; I146-E203 PolarHBondContact O-N 3.43Å; I146-V204 HydrophobicContact CB-CB 3.78Å; I146-V204 HydrophobicContact CB-CG2 3.97Å; I146-V204 HydrophobicContact CD1-CB 4.24Å; I146-V204 HydrophobicContact CD1-CG2 3.92Å; I146-V204 HydrophobicContact CG1-CB 3.97Å; I146-V204 HydrophobicContact CG1-CG2 4.16Å; I146-V204 PolarHBondContact N-O 2.9Å; I146-V204 PolarHBondContact O-N 3.36Å; I146-I236 WeakPolarHBondContact CA-O 3.3Å; I146-W309 HydrophobicContact CD1-CE3 3.97Å; I146-W309 HydrophobicContact CD1-CH2 4.26Å; I146-W309 HydrophobicContact CD1-CZ3 3.78Å; I146-W309 HydrophobicContact CG2-CE3 4.49Å; I146-W309 HydrophobicContact CG2-CH2 3.85Å; I146-W309 HydrophobicContact CG2-CZ3 3.47Å; I146-W309 VanDerWaalsContact CG2-CZ3 3.47Å
147M97.4Very high87.9Confident1 Ų148.4 Ų48.41%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-152.6163.2-177.457.7-159.655.400112.1F145 S149 M152 L180 L195 Q201 V202 I236F145-M147 HydrophobicContact CB-CE 3.68Å; M147-S149 PolarHBondContact O-N 3.33Å; M147-M152 HydrophobicContact CG-CG 4.15Å; M147-M152 HydrophobicContact SD-CE 3.77Å; M147-M152 HydrophobicContact SD-CG 3.53Å; M147-M152 VanDerWaalsContact SD-CG 3.53Å; M147-M152 HydrophobicContact SD-SD 3.79Å; M147-L180 HydrophobicContact CE-CD2 4.38Å; M147-L195 HydrophobicContact CE-CD2 3.2Å; M147-L195 HydrophobicContact SD-CD2 3.3Å; M147-L195 WeakPolarHBondContact SD-CD2 3.46Å; M147-Q201 CarbonylContact C-O 3.51Å; M147-Q201 WeakPolarHBondContact CA-O 3.34Å; M147-Q201 WeakPolarHBondContact CB-O 3.35Å; M147-V202 HydrophobicContact CE-CG2 4.45Å; M147-I236 HydrophobicContact CG-CG2 3.35Å; M147-I236 PolarHBondContact N-O 3.33Å; M147-I236 PolarHBondContact O-N 2.76Å; M147-I236 HydrophobicContact SD-CG2 4.24Å
148K97.1Very high88.9Confident81 Ų8150.1 Ų50.135%0.35226%0.255SS..EExtended strand (participates in β ladder)trans-63.3133.4168.6-68.3174.2-175.4157.20109.5E150 C151 D200 Q201K148-E150 PolarHBondContact O-N 2.96Å; K148-E150 VanDerWaalsContact O-N 3.15Å; K148-C151 PolarHBondContact O-SG 3.27Å; K148-D200 PolarHBondContact NZ-O 2.84Å; K148-Q201 PolarHBondContact N-O 3Å
149S96Very high90.2Very high4 Ų447.7 Ų47.73%0.02824%0.237CC..Hα-helixtrans-59.4-24.9-178.755.40000114.5M147 M152 R153 A233 S234M147-S149 PolarHBondContact O-N 3.33Å; S149-M152 PolarHBondContact O-N 3.12Å; S149-R153 PolarHBondContact O-N 3.42Å; S149-R153 PolarHBondContact OG-NH1 3.03Å; S149-R153 PolarHBondContact OG-NH2 3.08Å; S149-A233 VanDerWaalsContact CB-O 3.28Å; S149-A233 WeakPolarHBondContact CB-O 3.3Å; S149-A233 PolarHBondContact OG-O 2.69Å; S149-S234 WeakPolarHBondContact CB-O 3.33Å; S149-S234 PolarHBondContact N-O 3.01Å; S149-S234 VanDerWaalsContact OG-C 3.3Å; S149-S234 PolarHBondContact OG-O 3.35Å
150E94.4Very high91.3Very high106 Ų10648.2 Ų48.250%0.49524%0.238SC..Hα-helixtrans-59.7-48.9-177.2-170.4168-169.200112.5K148 M152 R153 E154K148-E150 PolarHBondContact O-N 2.96Å; K148-E150 VanDerWaalsContact O-N 3.15Å; E150-M152 VanDerWaalsContact C-N 3.26Å; E150-M152 PolarHBondContact O-N 2.88Å; E150-R153 VanDerWaalsContact CA-NH2 3.28Å; E150-R153 WeakPolarHBondContact O-CB 3.36Å; E150-R153 PolarHBondContact O-N 2.99Å; E150-R153 VanDerWaalsContact O-N 3.08Å; E150-E154 PolarHBondContact O-N 3.27Å; E150-E154 VanDerWaalsContact O-N 3.12Å
151C93.1Very high92.2Very high8 Ų845.6 Ų45.65%0.05423%0.229CC..Hα-helixtrans-61-35.3178.670.90000112.9K148 A155 Q201K148-C151 PolarHBondContact O-SG 3.27Å; C151-A155 WeakPolarHBondContact O-CB 3.38Å; C151-A155 PolarHBondContact O-N 3.15Å; C151-Q201 HydrophobicContact CB-CB 3.93Å; C151-Q201 HydrophobicContact CB-CG 4.01Å
152M94.4Very high93.3Very high1 Ų143.4 Ų43.41%0.00522%0.22CC..Hα-helixtrans-75.9-31.5176.8-72.5-60.496.500112.3M147 S149 E150 E154 A155 F156 F193 L195 L230 I236M147-M152 HydrophobicContact CG-CG 4.15Å; M147-M152 HydrophobicContact SD-CE 3.77Å; M147-M152 HydrophobicContact SD-CG 3.53Å; M147-M152 VanDerWaalsContact SD-CG 3.53Å; M147-M152 HydrophobicContact SD-SD 3.79Å; S149-M152 PolarHBondContact O-N 3.12Å; E150-M152 VanDerWaalsContact C-N 3.26Å; E150-M152 PolarHBondContact O-N 2.88Å; M152-E154 VanDerWaalsContact C-N 3.34Å; M152-A155 HydrophobicContact CE-CB 4.03Å; M152-A155 PolarHBondContact O-N 3.4Å; M152-A155 HydrophobicContact SD-CB 4.46Å; M152-F156 HydrophobicContact CB-CD2 4.43Å; M152-F156 VanDerWaalsContact O-CD2 3.25Å; M152-F156 WeakPolarHBondContact O-CD2 3.43Å; M152-F156 PolarHBondContact O-N 3.33Å; M152-F156 HydrophobicContact SD-CE2 4.48Å; M152-F193 HydrophobicContact CE-CD1 4.43Å; M152-F193 HydrophobicContact CE-CE1 3.57Å; M152-F193 HydrophobicContact CE-CZ 4.15Å; M152-L195 HydrophobicContact CE-CD2 3.85Å; M152-L230 HydrophobicContact CB-CD1 3.9Å; M152-L230 HydrophobicContact CB-CD2 4.28Å; M152-I236 HydrophobicContact CB-CG2 4.43Å; M152-I236 HydrophobicContact CG-CD1 4.31Å; M152-I236 HydrophobicContact CG-CG2 3.89Å
153R94.3Very high93.9Very high72 Ų7242 Ų4227%0.27221%0.21SC..Hα-helixtrans-61-46.6172.7-79-172.6-68.5-91.2-0.2110.9S149 E150 N157 L230 A233S149-R153 PolarHBondContact O-N 3.42Å; S149-R153 PolarHBondContact OG-NH1 3.03Å; S149-R153 PolarHBondContact OG-NH2 3.08Å; E150-R153 VanDerWaalsContact CA-NH2 3.28Å; E150-R153 WeakPolarHBondContact O-CB 3.36Å; E150-R153 PolarHBondContact O-N 2.99Å; E150-R153 VanDerWaalsContact O-N 3.08Å; R153-N157 VanDerWaalsContact O-CB 3.28Å; R153-N157 WeakPolarHBondContact O-CB 3.08Å; R153-N157 PolarHBondContact O-N 3.07Å; R153-N157 PolarHBondContact O-ND2 2.82Å; R153-N157 VanDerWaalsContact O-ND2 3.13Å; R153-L230 HydrophobicContact CG-CD1 4.16Å; R153-L230 HydrophobicContact CG-CD2 4.08Å; R153-L230 HydrophobicContact CG-CG 3.66Å; R153-L230 PolarHBondContact NH1-O 3.25Å; R153-L230 VanDerWaalsContact NH1-O 3.13Å; R153-A233 PolarHBondContact NH1-O 2.84Å; R153-A233 VanDerWaalsContact NH1-O 3.15Å
154E92Very high94Very high102 Ų10249.9 Ų49.948%0.47725%0.247SC..Hα-helixtrans-59.1-51175-67.3175175.300110.3E150 M152 F156 N157 E158E150-E154 PolarHBondContact O-N 3.27Å; E150-E154 VanDerWaalsContact O-N 3.12Å; M152-E154 VanDerWaalsContact C-N 3.34Å; E154-F156 PolarHBondContact O-N 2.65Å; E154-N157 PolarHBondContact O-N 2.78Å; E154-N157 VanDerWaalsContact O-N 3.14Å; E154-E158 WeakPolarHBondContact O-CG 3.19Å; E154-E158 PolarHBondContact O-N 3.15Å
155A92.6Very high94Very high0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-51.7-56.2178.100000112.2C151 M152 N157 E158 L159 L182 F193C151-A155 WeakPolarHBondContact O-CB 3.38Å; C151-A155 PolarHBondContact O-N 3.15Å; M152-A155 HydrophobicContact CE-CB 4.03Å; M152-A155 PolarHBondContact O-N 3.4Å; M152-A155 HydrophobicContact SD-CB 4.46Å; A155-N157 VanDerWaalsContact C-N 3.3Å; A155-N157 PolarHBondContact O-N 2.95Å; A155-E158 PolarHBondContact O-N 3.44Å; A155-L159 WeakPolarHBondContact O-CG 3.39Å; A155-L159 PolarHBondContact O-N 3.16Å; A155-L159 VanDerWaalsContact O-N 3.15Å; A155-L182 HydrophobicContact CB-CD1 4.13Å; A155-F193 HydrophobicContact CB-CD1 3.64Å; A155-F193 HydrophobicContact CB-CD2 3.69Å; A155-F193 HydrophobicContact CB-CE1 3.55Å; A155-F193 HydrophobicContact CB-CE2 3.61Å; A155-F193 HydrophobicContact CB-CG 3.71Å; A155-F193 HydrophobicContact CB-CZ 3.54Å
156F92.7Very high94Very high15 Ų1550 Ų507%0.06625%0.249CC..Hα-helixtrans-68.5-24.5-177.4-81.5-74.9000114.1M152 E154 L159 L166 L182 L222 R223 T226 L230M152-F156 HydrophobicContact CB-CD2 4.43Å; M152-F156 VanDerWaalsContact O-CD2 3.25Å; M152-F156 WeakPolarHBondContact O-CD2 3.43Å; M152-F156 PolarHBondContact O-N 3.33Å; M152-F156 HydrophobicContact SD-CE2 4.48Å; E154-F156 PolarHBondContact O-N 2.65Å; F156-L159 HydrophobicContact CD1-CD1 3.54Å; F156-L159 HydrophobicContact CE1-CD1 3.87Å; F156-L159 HydrophobicContact CG-CD1 4.33Å; F156-L166 HydrophobicContact CE1-CD2 3.89Å; F156-L166 HydrophobicContact CZ-CD2 4.31Å; F156-L182 HydrophobicContact CZ-CD1 4.48Å; F156-L222 HydrophobicContact CE1-CD2 4.11Å; F156-L222 HydrophobicContact CE1-CG 4.48Å; F156-L222 HydrophobicContact CZ-CD2 4.41Å; F156-R223 PolarHBondContact O-NH2 3.17Å; F156-T226 HydrophobicContact CD1-CG2 4.11Å; F156-T226 WeakPolarHBondContact CD1-OG1 3.33Å; F156-T226 HydrophobicContact CD2-CG2 4.17Å; F156-T226 HydrophobicContact CE1-CG2 3.66Å; F156-T226 HydrophobicContact CE2-CG2 3.73Å; F156-T226 HydrophobicContact CG-CG2 4.37Å; F156-T226 HydrophobicContact CZ-CG2 3.48Å; F156-T226 VanDerWaalsContact CZ-CG2 3.48Å; F156-L230 HydrophobicContact CB-CD2 4.34Å; F156-L230 HydrophobicContact CD2-CD2 3.72Å; F156-L230 HydrophobicContact CG-CD2 4.33Å
157N91Very high94Very high131 Ų13150.6 Ų50.670%0.70125%0.252SS*.Hα-helixtrans-74.9-32.4173.5-75.1-22000112.2R153 E154 A155R153-N157 VanDerWaalsContact O-CB 3.28Å; R153-N157 WeakPolarHBondContact O-CB 3.08Å; R153-N157 PolarHBondContact O-N 3.07Å; R153-N157 PolarHBondContact O-ND2 2.82Å; R153-N157 VanDerWaalsContact O-ND2 3.13Å; E154-N157 PolarHBondContact O-N 2.78Å; E154-N157 VanDerWaalsContact O-N 3.14Å; A155-N157 VanDerWaalsContact C-N 3.3Å; A155-N157 PolarHBondContact O-N 2.95Å
158E90.4Very high93.9Very high129 Ų12950.9 Ų50.960%0.60325%0.254SS*.Hα-helixtrans-85.5-16.6-179.8-69.4-178.2178.100114.1E154 A155 D160E154-E158 WeakPolarHBondContact O-CG 3.19Å; E154-E158 PolarHBondContact O-N 3.15Å; A155-E158 PolarHBondContact O-N 3.44Å; E158-D160 PolarHBondContact O-N 2.85Å
159L91.3Very high93.8Very high10 Ų1047.5 Ų47.55%0.05224%0.241CC..SBendtrans-58.1135.5177.6-68.1-177.6000112.1A155 F156 T161 L166 L182 T184 L219 R223A155-L159 WeakPolarHBondContact O-CG 3.39Å; A155-L159 PolarHBondContact O-N 3.16Å; A155-L159 VanDerWaalsContact O-N 3.15Å; F156-L159 HydrophobicContact CD1-CD1 3.54Å; F156-L159 HydrophobicContact CE1-CD1 3.87Å; F156-L159 HydrophobicContact CG-CD1 4.33Å; L159-T161 PolarHBondContact O-N 2.99Å; L159-T161 VanDerWaalsContact O-N 3.07Å; L159-L166 HydrophobicContact CD1-CD1 3.63Å; L159-L166 HydrophobicContact CD1-CD2 3.99Å; L159-L166 HydrophobicContact CD1-CG 4.45Å; L159-L166 HydrophobicContact CD2-CD1 3.88Å; L159-L166 HydrophobicContact CG-CD1 4.37Å; L159-L182 HydrophobicContact CD2-CB 4.26Å; L159-T184 HydrophobicContact CB-CG2 4.15Å; L159-T184 HydrophobicContact CD2-CG2 3.99Å; L159-T184 HydrophobicContact CG-CG2 4.42Å; L159-L219 HydrophobicContact CD1-CD1 3.99Å; L159-R223 PolarHBondContact O-NH2 3.32Å
160D92.8Very high93.8Very high29 Ų2947.5 Ų47.516%0.15524%0.24CC..  trans-65.2110.4177.8-170.5-22.9000110.8E158 S162 S163 T184 G186 M191 L219E158-D160 PolarHBondContact O-N 2.85Å; D160-S162 PolarHBondContact O-N 2.8Å; D160-S162 VanDerWaalsContact OD1-CB 3.31Å; D160-S162 WeakPolarHBondContact OD1-CB 3.09Å; D160-S162 PolarHBondContact OD1-N 2.87Å; D160-S162 PolarHBondContact OD1-OG 2.86Å; D160-S162 PolarHBondContact OD2-OG 3.02Å; D160-S163 WeakPolarHBondContact O-CB 3.28Å; D160-S163 PolarHBondContact O-N 3.32Å; D160-T184 PolarHBondContact N-OG1 3.13Å; D160-G186 VanDerWaalsContact OD2-CA 3.29Å; D160-G186 WeakPolarHBondContact OD2-CA 3.15Å; D160-M191 HydrophobicContact CB-CG 4.28Å; D160-L219 VanDerWaalsContact O-CD2 3.32Å; D160-L219 WeakPolarHBondContact O-CD2 3.46Å
161T91Very high93.9Very high109 Ų10943.7 Ų43.767%0.66922%0.223SC*.THydrogen-bonded Turntrans-65.1-16.6179.752.30000114.4L159 S163 R223L159-T161 PolarHBondContact O-N 2.99Å; L159-T161 VanDerWaalsContact O-N 3.07Å; T161-S163 VanDerWaalsContact C-N 3.27Å; T161-R223 VanDerWaalsContact CG2-NH2 3.27Å
162S94.9Very high93.9Very high36 Ų3643.5 Ų43.525%0.25222%0.222SC..THydrogen-bonded Turntrans-78.8-11.7176.668.90000113.3D160 G186 F187D160-S162 PolarHBondContact O-N 2.8Å; D160-S162 VanDerWaalsContact OD1-CB 3.31Å; D160-S162 WeakPolarHBondContact OD1-CB 3.09Å; D160-S162 PolarHBondContact OD1-N 2.87Å; D160-S162 PolarHBondContact OD1-OG 2.86Å; D160-S162 PolarHBondContact OD2-OG 3.02Å; S162-G186 WeakPolarHBondContact OG-CA 3.26Å; S162-F187 VanDerWaalsContact CB-CD2 3.47Å; S162-F187 PolarHBondContact OG-N 3.47Å
163S96.1Very high93.8Very high9 Ų945.4 Ų45.46%0.06324%0.235CC..  trans-76.3136.4176.3-160.80000112.2D160 T161 I165 Y185 L219D160-S163 WeakPolarHBondContact O-CB 3.28Å; D160-S163 PolarHBondContact O-N 3.32Å; T161-S163 VanDerWaalsContact C-N 3.27Å; S163-I165 PolarHBondContact OG-O 2.82Å; S163-Y185 WeakPolarHBondContact CA-O 3.24Å; S163-Y185 VanDerWaalsContact CB-O 3.24Å; S163-Y185 WeakPolarHBondContact CB-O 3.4Å; S163-Y185 VanDerWaalsContact OG-C 3.26Å; S163-Y185 PolarHBondContact OG-N 3.49Å; S163-Y185 PolarHBondContact OG-O 3Å; S163-L219 WeakPolarHBondContact O-CD2 3.33Å
164E94.5Very high93.6Very high165 Ų16548 Ų4877%0.77126%0.26SS*.SBendtrans-76.4-28.8173.8-64-174.5168.400112.1R218 L219E164-R218 CarbonylContact O-C 3.6Å; E164-R218 WeakPolarHBondContact O-CA 3.38Å; E164-L219 PolarHBondContact O-N 3.3Å
165I95.3Very high93.5Very high37 Ų3745.1 Ų45.119%0.1925%0.254CS..EExtended strand (participates in β ladder)trans-122.1137.5-170.4-62.6174000110.1S163 R216 F217S163-I165 PolarHBondContact OG-O 2.82Å; I165-R216 HydrophobicContact CG2-CB 3.71Å; I165-R216 HydrophobicContact CG2-CG 3.91Å; I165-F217 CarbonylContact C-O 3.56Å; I165-F217 WeakPolarHBondContact CA-O 3.29Å
166L96.3Very high93.3Very high0 Ų052.4 Ų52.40%030%0.298CS..EExtended strand (participates in β ladder)trans-100.7119.1158.4-171.964.9000109F156 L159 V168 L182 T184 R216 F217 L219 L222F156-L166 HydrophobicContact CE1-CD2 3.89Å; F156-L166 HydrophobicContact CZ-CD2 4.31Å; L159-L166 HydrophobicContact CD1-CD1 3.63Å; L159-L166 HydrophobicContact CD1-CD2 3.99Å; L159-L166 HydrophobicContact CD1-CG 4.45Å; L159-L166 HydrophobicContact CD2-CD1 3.88Å; L159-L166 HydrophobicContact CG-CD1 4.37Å; L166-V168 HydrophobicContact CD2-CG2 4.2Å; L166-V168 HydrophobicContact CG-CG2 4.28Å; L166-L182 HydrophobicContact CD1-CB 4.09Å; L166-L182 HydrophobicContact CD2-CD2 4.38Å; L166-T184 HydrophobicContact CD1-CG2 3.55Å; L166-R216 WeakPolarHBondContact O-CA 3.47Å; L166-F217 PolarHBondContact N-O 3.1Å; L166-F217 PolarHBondContact O-N 2.82Å; L166-L219 HydrophobicContact CB-CB 4.48Å; L166-L219 HydrophobicContact CB-CD1 4.1Å; L166-L222 HydrophobicContact CB-CD2 4.18Å; L166-L222 HydrophobicContact CD2-CD2 3.3Å; L166-L222 HydrophobicContact CG-CD2 4.31Å
167E96.2Very high93.2Very high18 Ų1858.2 Ų58.28%0.08433%0.326CS..EExtended strand (participates in β ladder)trans-90.2123.2169.3-177.2179.397.800109.5L182 T183 Y185 I214 R216E167-L182 CarbonylContact O-C 3.57Å; E167-L182 WeakPolarHBondContact O-CA 3.17Å; E167-T183 PolarHBondContact N-O 2.91Å; E167-T183 PolarHBondContact O-N 2.81Å; E167-Y185 HydrophobicContact CB-CE2 4.09Å; E167-Y185 VanDerWaalsContact CD-OH 3.26Å; E167-Y185 PolarHBondContact OE1-OH 3.11Å; E167-Y185 PolarHBondContact OE2-OH 2.84Å; E167-I214 VanDerWaalsContact CD-CG2 3.46Å; E167-I214 HydrophobicContact CG-CG2 3.32Å; E167-R216 HydrophobicContact CB-CG 4.19Å; E167-R216 HydrophobicContact CG-CG 4.15Å; E167-R216 IonicContact OE2-CZ 3.35Å; E167-R216 IonicContact OE2-NE 3.97Å; E167-R216 PolarHBondContact OE2-NE 2.89Å; E167-R216 IonicContact OE2-NH2 2.81Å; E167-R216 PolarHBondContact OE2-NH2 3.04Å
168V95.9Very high93.4Very high7 Ų752.8 Ų52.84%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-107.4112.3176.3-175.80000107.8L166 L180 R181 L182 I214 A215 F217 I240L166-V168 HydrophobicContact CD2-CG2 4.2Å; L166-V168 HydrophobicContact CG-CG2 4.28Å; V168-L180 HydrophobicContact CG1-CD1 3.76Å; V168-R181 WeakPolarHBondContact CA-O 3.41Å; V168-L182 HydrophobicContact CB-CD2 4.37Å; V168-L182 HydrophobicContact CG1-CD2 4.06Å; V168-L182 HydrophobicContact CG2-CD2 3.89Å; V168-I214 WeakPolarHBondContact O-CA 3.39Å; V168-A215 PolarHBondContact N-O 3.32Å; V168-A215 PolarHBondContact O-N 3.47Å; V168-F217 HydrophobicContact CB-CD2 4.48Å; V168-F217 HydrophobicContact CB-CE2 4.13Å; V168-F217 HydrophobicContact CG2-CD2 3.79Å; V168-F217 HydrophobicContact CG2-CE2 3.83Å; V168-I240 HydrophobicContact CG1-CD1 3.72Å
169A95.1Very high93.7Very high9 Ų948.5 Ų48.57%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-112.9130.8-179.300000111.1R181 R213 I214A169-R181 HydrophobicContact CB-CB 4.25Å; A169-R181 PolarHBondContact N-O 2.8Å; A169-R181 PolarHBondContact O-N 2.91Å; A169-R213 CarbonylContact C-O 3.54Å; A169-R213 VanDerWaalsContact CA-O 3.3Å; A169-R213 WeakPolarHBondContact CA-O 3.43Å; A169-I214 HydrophobicContact CB-CG1 4.05Å
170V95.6Very high93.9Very high4 Ų448.1 Ų48.12%0.02427%0.274CS..EExtended strand (participates in β ladder)trans-104.4116.2172.8178.90000107.7D143 F145 P172 L180 P212 R213 I240D143-V170 HydrophobicContact CB-CG2 4.49Å; F145-V170 HydrophobicContact CE1-CG1 4.29Å; F145-V170 HydrophobicContact CE2-CG2 3.81Å; F145-V170 HydrophobicContact CZ-CB 4.19Å; F145-V170 HydrophobicContact CZ-CG1 3.65Å; F145-V170 HydrophobicContact CZ-CG2 3.48Å; F145-V170 VanDerWaalsContact CZ-CG2 3.48Å; V170-P172 WeakPolarHBondContact O-CD 3.42Å; V170-L180 HydrophobicContact CG2-CD1 4.03Å; V170-P212 VanDerWaalsContact O-CA 3.26Å; V170-P212 WeakPolarHBondContact O-CA 3.43Å; V170-R213 PolarHBondContact N-O 2.99Å; V170-R213 PolarHBondContact O-N 3.01Å; V170-I240 HydrophobicContact CG2-CD1 4.03Å
171I95.9Very high94.1Very high26 Ų2649.5 Ų49.513%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-100.8104170.4-59.1101.9000107.6A175 S178 R179 R181I171-A175 HydrophobicContact CG2-CB 3.78Å; I171-S178 CarbonylContact O-C 3.52Å; I171-S178 VanDerWaalsContact O-CA 3.25Å; I171-S178 WeakPolarHBondContact O-CA 3.48Å; I171-R179 HydrophobicContact CB-CG 4.36Å; I171-R179 HydrophobicContact CD1-CG 3.66Å; I171-R179 PolarHBondContact N-O 3.43Å; I171-R179 PolarHBondContact O-N 3.32Å; I171-R181 HydrophobicContact CD1-CB 4.16Å
172P94.4Very high94.4Very high5 Ų544.6 Ų44.63%0.03225%0.247CC..  trans-82.2163.1-171.834.5-38.6000112.8V170 A175 S178 A209V170-P172 WeakPolarHBondContact O-CD 3.42Å; P172-A175 VanDerWaalsContact O-CB 3.22Å; P172-A175 WeakPolarHBondContact O-CB 3.45Å; P172-A175 PolarHBondContact O-N 2.91Å; P172-S178 PolarHBondContact O-OG 3.13Å; P172-A209 VanDerWaalsContact CB-O 3.23Å; P172-A209 WeakPolarHBondContact CB-O 3.29Å; P172-A209 WeakPolarHBondContact CG-O 3.35Å
173P91.4Very high94.5Very high41 Ų4143 Ų4327%0.26624%0.235SC..THydrogen-bonded Turntrans-58.5147.8162.5-18.932.1000111.1S178P173-S178 VanDerWaalsContact CA-OG 3.26Å; P173-S178 WeakPolarHBondContact CA-OG 3.39Å
174P90.3Very high94.5Very high125 Ų12542.5 Ų42.581%0.81223%0.232SC*.THydrogen-bonded Turncis-92.222.610.737.5-36.9000114.4V176P174-V176 PolarHBondContact O-N 3.02Å
175A90.2Very high94.6Very high42 Ų4239.4 Ų39.435%0.34721%0.214SC..SBendtrans-57134177.200000111.1I171 P172 Q177 S178I171-A175 HydrophobicContact CG2-CB 3.78Å; P172-A175 VanDerWaalsContact O-CB 3.22Å; P172-A175 WeakPolarHBondContact O-CB 3.45Å; P172-A175 PolarHBondContact O-N 2.91Å; A175-Q177 PolarHBondContact O-N 3.21Å; A175-Q177 VanDerWaalsContact O-N 3.1Å; A175-S178 PolarHBondContact O-N 3.06Å; A175-S178 VanDerWaalsContact O-N 3.09Å; A175-S178 PolarHBondContact O-OG 2.84Å
176V87.8Confident94.5Very high153 Ų15338.4 Ų38.493%0.92721%0.213SC*.THydrogen-bonded Turntrans-54.1-35.6-176.9179.60000112P174P174-V176 PolarHBondContact O-N 3.02Å
177Q90.6Very high94.4Very high138 Ų13847.8 Ų47.865%0.64525%0.254SS*.THydrogen-bonded Turntrans-113.260.4175.3-66.8-177.7-32.500111A175 R179A175-Q177 PolarHBondContact O-N 3.21Å; A175-Q177 VanDerWaalsContact O-N 3.1Å; Q177-R179 PolarHBondContact O-N 3.02Å; Q177-R179 PolarHBondContact O-NH1 2.86Å
178S95.7Very high94.1Very high16 Ų1651.6 Ų51.611%0.11229%0.289CS..  trans-60.6125.3172.5-60.50000110.2I171 P172 P173 A175 R197I171-S178 CarbonylContact O-C 3.52Å; I171-S178 VanDerWaalsContact O-CA 3.25Å; I171-S178 WeakPolarHBondContact O-CA 3.48Å; P172-S178 PolarHBondContact O-OG 3.13Å; P173-S178 VanDerWaalsContact CA-OG 3.26Å; P173-S178 WeakPolarHBondContact CA-OG 3.39Å; A175-S178 PolarHBondContact O-N 3.06Å; A175-S178 VanDerWaalsContact O-N 3.09Å; A175-S178 PolarHBondContact O-OG 2.84Å; S178-R197 WeakPolarHBondContact O-CB 3.17Å; S178-R197 PolarHBondContact O-N 3Å
179R96.3Very high94Very high39 Ų3952.8 Ų52.815%0.14730%0.303CS..EExtended strand (participates in β ladder)trans-163.3158.2-172.166.7-165.3-175.7-82.73.7112.6I171 Q177 R181 D194 L195I171-R179 HydrophobicContact CB-CG 4.36Å; I171-R179 HydrophobicContact CD1-CG 3.66Å; I171-R179 PolarHBondContact N-O 3.43Å; I171-R179 PolarHBondContact O-N 3.32Å; Q177-R179 PolarHBondContact O-N 3.02Å; Q177-R179 PolarHBondContact O-NH1 2.86Å; R179-R181 VanDerWaalsContact NH2-CZ 3.27Å; R179-D194 WeakPolarHBondContact CD-OD1 3.39Å; R179-D194 IonicContact CZ-OD1 3.84Å; R179-D194 IonicContact NE-OD1 3.98Å; R179-D194 PolarHBondContact NE-OD1 3.05Å; R179-D194 IonicContact NE-OD2 2.82Å; R179-L195 VanDerWaalsContact CA-O 3.27Å; R179-L195 WeakPolarHBondContact CA-O 3.35Å; R179-L195 VanDerWaalsContact CB-O 3.27Å; R179-L195 WeakPolarHBondContact CB-O 3.49Å
180L96.4Very high94Very high2 Ų255.8 Ų55.81%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-92.7129163.4178.468.5000107.3F145 M147 V168 V170 L195 F205 L238F145-L180 HydrophobicContact CE2-CD1 4.23Å; F145-L180 HydrophobicContact CG-CD2 4.49Å; F145-L180 HydrophobicContact CZ-CD1 4.31Å; M147-L180 HydrophobicContact CE-CD2 4.38Å; V168-L180 HydrophobicContact CG1-CD1 3.76Å; V170-L180 HydrophobicContact CG2-CD1 4.03Å; L180-L195 HydrophobicContact CB-CB 4.39Å; L180-L195 PolarHBondContact N-O 2.8Å; L180-L195 PolarHBondContact O-N 3.36Å; L180-F205 HydrophobicContact CB-CE2 4.38Å; L180-L238 HydrophobicContact CD2-CD1 3.82Å
181R96.1Very high94Very high59 Ų5960.1 Ų60.122%0.22334%0.341CS..EExtended strand (participates in β ladder)trans-119.6132.4178.8172.3174.2-71.8-168.6-9.8110.3V168 A169 I171 R179 F193 D194V168-R181 WeakPolarHBondContact CA-O 3.41Å; A169-R181 HydrophobicContact CB-CB 4.25Å; A169-R181 PolarHBondContact N-O 2.8Å; A169-R181 PolarHBondContact O-N 2.91Å; I171-R181 HydrophobicContact CD1-CB 4.16Å; R179-R181 VanDerWaalsContact NH2-CZ 3.27Å; R181-F193 CarbonylContact C-O 3.57Å; R181-F193 VanDerWaalsContact CA-O 3.29Å; R181-F193 WeakPolarHBondContact CA-O 3.47Å; R181-D194 WeakPolarHBondContact CB-OD1 3.41Å; R181-D194 IonicContact CZ-OD1 3.81Å; R181-D194 VanDerWaalsContact CZ-OD1 3.3Å; R181-D194 IonicContact CZ-OD2 3.53Å; R181-D194 IonicContact NE-OD1 2.69Å; R181-D194 PolarHBondContact NE-OD1 3.15Å; R181-D194 IonicContact NE-OD2 3Å; R181-D194 VanDerWaalsContact NH2-CG 3.32Å; R181-D194 IonicContact NH2-OD1 2.71Å; R181-D194 PolarHBondContact NH2-OD1 2.78Å; R181-D194 VanDerWaalsContact NH2-OD1 3.1Å; R181-D194 IonicContact NH2-OD2 3.06Å; R181-D194 PolarHBondContact NH2-OD2 2.84Å
182L96.7Very high94Very high5 Ų563.7 Ų63.73%0.02636%0.357CS..EExtended strand (participates in β ladder)trans-107.6126.6168.6-49.5180000108.1A155 F156 L159 L166 E167 V168 H192 F193A155-L182 HydrophobicContact CB-CD1 4.13Å; F156-L182 HydrophobicContact CZ-CD1 4.48Å; L159-L182 HydrophobicContact CD2-CB 4.26Å; L166-L182 HydrophobicContact CD1-CB 4.09Å; L166-L182 HydrophobicContact CD2-CD2 4.38Å; E167-L182 CarbonylContact O-C 3.57Å; E167-L182 WeakPolarHBondContact O-CA 3.17Å; V168-L182 HydrophobicContact CB-CD2 4.37Å; V168-L182 HydrophobicContact CG1-CD2 4.06Å; V168-L182 HydrophobicContact CG2-CD2 3.89Å; L182-H192 WeakPolarHBondContact O-CA 3.22Å; L182-F193 HydrophobicContact CB-CB 4.25Å; L182-F193 HydrophobicContact CD1-CD1 4.32Å; L182-F193 HydrophobicContact CG-CD1 4.45Å; L182-F193 PolarHBondContact N-O 2.97Å; L182-F193 PolarHBondContact O-N 3.13Å
183T97Very high94Very high2 Ų265.2 Ų65.21%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-124.2130.9-179.5-56.70000110.4E167 Y185 T190 M191 H192E167-T183 PolarHBondContact N-O 2.91Å; E167-T183 PolarHBondContact O-N 2.81Å; T183-Y185 HydrophobicContact CG2-CE1 3.93Å; T183-Y185 HydrophobicContact CG2-CE2 3.94Å; T183-T190 HydrophobicContact CG2-CG2 3.47Å; T183-T190 VanDerWaalsContact CG2-CG2 3.47Å; T183-M191 VanDerWaalsContact CA-O 3.31Å; T183-M191 WeakPolarHBondContact CA-O 3.25Å; T183-H192 VanDerWaalsContact CG2-CE1 3.42Å; T183-H192 WeakPolarHBondContact CG2-CE1 3.36Å; T183-H192 VanDerWaalsContact CG2-ND1 3.33Å; T183-H192 WeakPolarHBondContact CG2-ND1 3.34Å; T183-H192 PolarHBondContact OG1-ND1 3.36Å
184T97.3Very high94.2Very high0 Ų066.2 Ų66.20%037%0.366CS..EExtended strand (participates in β ladder)trans-118148.3170.344.10000110.4L159 D160 L166 T190 M191 L219L159-T184 HydrophobicContact CB-CG2 4.15Å; L159-T184 HydrophobicContact CD2-CG2 3.99Å; L159-T184 HydrophobicContact CG-CG2 4.42Å; D160-T184 PolarHBondContact N-OG1 3.13Å; L166-T184 HydrophobicContact CD1-CG2 3.55Å; T184-T190 WeakPolarHBondContact O-CA 3.46Å; T184-M191 PolarHBondContact N-O 3.08Å; T184-M191 PolarHBondContact O-N 3.39Å; T184-M191 WeakPolarHBondContact OG1-CB 3.44Å; T184-L219 HydrophobicContact CG2-CD2 4.04Å
185Y95.9Very high94.4Very high100 Ų10060.6 Ų60.639%0.39233%0.33SS..EExtended strand (participates in β ladder)trans-120.591.4179.7-50.1-91.6000107.9S163 E167 T183 T190S163-Y185 WeakPolarHBondContact CA-O 3.24Å; S163-Y185 VanDerWaalsContact CB-O 3.24Å; S163-Y185 WeakPolarHBondContact CB-O 3.4Å; S163-Y185 VanDerWaalsContact OG-C 3.26Å; S163-Y185 PolarHBondContact OG-N 3.49Å; S163-Y185 PolarHBondContact OG-O 3Å; E167-Y185 HydrophobicContact CB-CE2 4.09Å; E167-Y185 VanDerWaalsContact CD-OH 3.26Å; E167-Y185 PolarHBondContact OE1-OH 3.11Å; E167-Y185 PolarHBondContact OE2-OH 2.84Å; T183-Y185 HydrophobicContact CG2-CE1 3.93Å; T183-Y185 HydrophobicContact CG2-CE2 3.94Å; Y185-T190 HydrophobicContact CD1-CG2 3.99Å; Y185-T190 HydrophobicContact CE1-CG2 3.95Å
186G94.1Very high94.7Very high16 Ų1661.2 Ų61.217%0.16533%0.33CS..EExtended strand (participates in β ladder)trans-112.3-173.7-179.300000112.5D160 S162 A188 G189D160-G186 VanDerWaalsContact OD2-CA 3.29Å; D160-G186 WeakPolarHBondContact OD2-CA 3.15Å; S162-G186 WeakPolarHBondContact OG-CA 3.26Å; G186-A188 VanDerWaalsContact C-N 3.26Å; G186-A188 PolarHBondContact O-N 2.84Å; G186-G189 PolarHBondContact N-O 2.8Å; G186-G189 PolarHBondContact O-N 2.81Å; G186-G189 VanDerWaalsContact O-N 3.11Å
187F94Very high95Very high196 Ų19660 Ų6086%0.8631%0.309SS*.THydrogen-bonded Turntrans-65.2-30.2-176-57.2-45.2000113.3S162 G189S162-F187 VanDerWaalsContact CB-CD2 3.47Å; S162-F187 PolarHBondContact OG-N 3.47Å; F187-G189 PolarHBondContact O-N 3.25Å
188A89.1Confident95.2Very high99 Ų9958.9 Ų58.982%0.81832%0.316SS*.THydrogen-bonded Turntrans-79-7.7178.400000113.1G186G186-A188 VanDerWaalsContact C-N 3.26Å; G186-A188 PolarHBondContact O-N 2.84Å
189G93.8Very high95.1Very high32 Ų3259.4 Ų59.433%0.3332%0.32SS..EExtended strand (participates in β ladder)trans122.5-158.2-177.700000112.5G186 F187G186-G189 PolarHBondContact N-O 2.8Å; G186-G189 PolarHBondContact O-N 2.81Å; G186-G189 VanDerWaalsContact O-N 3.11Å; F187-G189 PolarHBondContact O-N 3.25Å
190T95.9Very high95.1Very high72 Ų7263.3 Ų63.344%0.44234%0.343SS..EExtended strand (participates in β ladder)trans-94.7126.4-179.9-55.30000110.5T183 T184 Y185 H192T183-T190 HydrophobicContact CG2-CG2 3.47Å; T183-T190 VanDerWaalsContact CG2-CG2 3.47Å; T184-T190 WeakPolarHBondContact O-CA 3.46Å; Y185-T190 HydrophobicContact CD1-CG2 3.99Å; Y185-T190 HydrophobicContact CE1-CG2 3.95Å; T190-H192 WeakPolarHBondContact CG2-CE1 3.22Å
191M95Very high95Very high95 Ų9564.8 Ų64.847%0.46835%0.35SS..EExtended strand (participates in β ladder)trans-107.9133.8175.2-66.9-70.4-71.600109.3D160 T183 T184D160-M191 HydrophobicContact CB-CG 4.28Å; T183-M191 VanDerWaalsContact CA-O 3.31Å; T183-M191 WeakPolarHBondContact CA-O 3.25Å; T184-M191 PolarHBondContact N-O 3.08Å; T184-M191 PolarHBondContact O-N 3.39Å; T184-M191 WeakPolarHBondContact OG1-CB 3.44Å
192H94.9Very high95.1Very high101 Ų10163 Ų6347%0.46835%0.346SS..EExtended strand (participates in β ladder)trans-120.7129.5177.2-59.4-65.1000110.1L182 T183 T190L182-H192 WeakPolarHBondContact O-CA 3.22Å; T183-H192 VanDerWaalsContact CG2-CE1 3.42Å; T183-H192 WeakPolarHBondContact CG2-CE1 3.36Å; T183-H192 VanDerWaalsContact CG2-ND1 3.33Å; T183-H192 WeakPolarHBondContact CG2-ND1 3.34Å; T183-H192 PolarHBondContact OG1-ND1 3.36Å; T190-H192 WeakPolarHBondContact CG2-CE1 3.22Å
193F95.3Very high95.1Very high37 Ų3766.7 Ų66.716%0.16236%0.363CS..EExtended strand (participates in β ladder)trans-108.3123.5164-179.4-87.2000108.3M152 A155 R181 L182 L195M152-F193 HydrophobicContact CE-CD1 4.43Å; M152-F193 HydrophobicContact CE-CE1 3.57Å; M152-F193 HydrophobicContact CE-CZ 4.15Å; A155-F193 HydrophobicContact CB-CD1 3.64Å; A155-F193 HydrophobicContact CB-CD2 3.69Å; A155-F193 HydrophobicContact CB-CE1 3.55Å; A155-F193 HydrophobicContact CB-CE2 3.61Å; A155-F193 HydrophobicContact CB-CG 3.71Å; A155-F193 HydrophobicContact CB-CZ 3.54Å; R181-F193 CarbonylContact C-O 3.57Å; R181-F193 VanDerWaalsContact CA-O 3.29Å; R181-F193 WeakPolarHBondContact CA-O 3.47Å; L182-F193 HydrophobicContact CB-CB 4.25Å; L182-F193 HydrophobicContact CD1-CD1 4.32Å; L182-F193 HydrophobicContact CG-CD1 4.45Å; L182-F193 PolarHBondContact N-O 2.97Å; L182-F193 PolarHBondContact O-N 3.13Å; F193-L195 HydrophobicContact CE1-CB 4.07Å
194D95.2Very high95Very high61 Ų6168.2 Ų68.233%0.32637%0.372SS..EExtended strand (participates in β ladder)trans-111.6125.7178.9-80.5-53.2000109.9R179 R181 P196R179-D194 WeakPolarHBondContact CD-OD1 3.39Å; R179-D194 IonicContact CZ-OD1 3.84Å; R179-D194 IonicContact NE-OD1 3.98Å; R179-D194 PolarHBondContact NE-OD1 3.05Å; R179-D194 IonicContact NE-OD2 2.82Å; R181-D194 WeakPolarHBondContact CB-OD1 3.41Å; R181-D194 IonicContact CZ-OD1 3.81Å; R181-D194 VanDerWaalsContact CZ-OD1 3.3Å; R181-D194 IonicContact CZ-OD2 3.53Å; R181-D194 IonicContact NE-OD1 2.69Å; R181-D194 PolarHBondContact NE-OD1 3.15Å; R181-D194 IonicContact NE-OD2 3Å; R181-D194 VanDerWaalsContact NH2-CG 3.32Å; R181-D194 IonicContact NH2-OD1 2.71Å; R181-D194 PolarHBondContact NH2-OD1 2.78Å; R181-D194 VanDerWaalsContact NH2-OD1 3.1Å; R181-D194 IonicContact NH2-OD2 3.06Å; R181-D194 PolarHBondContact NH2-OD2 2.84Å; D194-P196 WeakPolarHBondContact O-CD 3.37Å
195L95.7Very high94.9Very high8 Ų869 Ų694%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-110.597169.6-173.266.5000110M147 M152 R179 L180 F193 V202M147-L195 HydrophobicContact CE-CD2 3.2Å; M147-L195 HydrophobicContact SD-CD2 3.3Å; M147-L195 WeakPolarHBondContact SD-CD2 3.46Å; M152-L195 HydrophobicContact CE-CD2 3.85Å; R179-L195 VanDerWaalsContact CA-O 3.27Å; R179-L195 WeakPolarHBondContact CA-O 3.35Å; R179-L195 VanDerWaalsContact CB-O 3.27Å; R179-L195 WeakPolarHBondContact CB-O 3.49Å; L180-L195 HydrophobicContact CB-CB 4.39Å; L180-L195 PolarHBondContact N-O 2.8Å; L180-L195 PolarHBondContact O-N 3.36Å; F193-L195 HydrophobicContact CE1-CB 4.07Å; L195-V202 HydrophobicContact CD1-CG2 3.94Å; L195-V202 HydrophobicContact CD2-CG2 3.64Å; L195-V202 HydrophobicContact CG-CG2 3.63Å
196P95.8Very high94.8Very high55 Ų5569 Ų6936%0.35738%0.38SS..EExtended strand (participates in β ladder)trans-60.8143.3177.2-22.533.8000111.8D194 S198 S199D194-P196 WeakPolarHBondContact O-CD 3.37Å; P196-S198 PolarHBondContact O-N 3.31Å; P196-S198 VanDerWaalsContact O-N 3.1Å; P196-S199 VanDerWaalsContact O-CB 3.28Å; P196-S199 WeakPolarHBondContact O-CB 3.37Å; P196-S199 PolarHBondContact O-N 3.17Å
197R94.8Very high94.7Very high128 Ų12869.8 Ų69.848%0.48338%0.382SS..THydrogen-bonded Turntrans-53.4-31.1171.6173.6172.8-175.2-164.65.2112.8S178 S199 F205S178-R197 WeakPolarHBondContact O-CB 3.17Å; S178-R197 PolarHBondContact O-N 3Å; R197-S199 VanDerWaalsContact C-N 3.31Å; R197-F205 HydrophobicContact CB-CB 4.38Å; R197-F205 HydrophobicContact CB-CD1 4.31Å; R197-F205 HydrophobicContact CB-CD2 3.87Å; R197-F205 HydrophobicContact CB-CE2 4.2Å; R197-F205 HydrophobicContact CB-CG 3.94Å; R197-F205 HydrophobicContact CG-CB 3.8Å; R197-F205 HydrophobicContact CG-CD1 4.18Å; R197-F205 HydrophobicContact CG-CD2 4.25Å; R197-F205 HydrophobicContact CG-CG 3.83Å
198S93.5Very high94.4Very high113 Ų11363.1 Ų63.179%0.7936%0.363SS*.THydrogen-bonded Turntrans-84.94.6-17961.80000114.5P196P196-S198 PolarHBondContact O-N 3.31Å; P196-S198 VanDerWaalsContact O-N 3.1Å
199S95.2Very high94.3Very high27 Ų2759.6 Ų59.619%0.18933%0.334CS..  trans-65.8141.7176.41710000110.9P196 R197 Q201 V202P196-S199 VanDerWaalsContact O-CB 3.28Å; P196-S199 WeakPolarHBondContact O-CB 3.37Å; P196-S199 PolarHBondContact O-N 3.17Å; R197-S199 VanDerWaalsContact C-N 3.31Å; S199-Q201 PolarHBondContact O-N 3.26Å; S199-Q201 PolarHBondContact OG-N 3.34Å; S199-V202 PolarHBondContact O-N 3.02Å; S199-V202 VanDerWaalsContact O-N 3.12Å
200D95.6Very high94Very high121 Ų12162.3 Ų62.365%0.64735%0.353SS*.THydrogen-bonded Turntrans-66.2-12.4173.768.1-51.7000114K148K148-D200 PolarHBondContact NZ-O 2.84Å
201Q95Very high93.7Very high33 Ų3362.3 Ų62.315%0.15436%0.356CS..THydrogen-bonded Turntrans-87.8-17.3175.7-57-64.6-59.900112M147 K148 C151 S199M147-Q201 CarbonylContact C-O 3.51Å; M147-Q201 WeakPolarHBondContact CA-O 3.34Å; M147-Q201 WeakPolarHBondContact CB-O 3.35Å; K148-Q201 PolarHBondContact N-O 3Å; C151-Q201 HydrophobicContact CB-CB 3.93Å; C151-Q201 HydrophobicContact CB-CG 4.01Å; S199-Q201 PolarHBondContact O-N 3.26Å; S199-Q201 PolarHBondContact OG-N 3.34Å
202V96.6Very high93.6Very high22 Ų2262.1 Ų62.113%0.13336%0.362CS..EExtended strand (participates in β ladder)trans-91.2120-179.7177.20000109.3M147 L195 S199 F205M147-V202 HydrophobicContact CE-CG2 4.45Å; L195-V202 HydrophobicContact CD1-CG2 3.94Å; L195-V202 HydrophobicContact CD2-CG2 3.64Å; L195-V202 HydrophobicContact CG-CG2 3.63Å; S199-V202 PolarHBondContact O-N 3.02Å; S199-V202 VanDerWaalsContact O-N 3.12Å; V202-F205 HydrophobicContact CG1-CB 4.04Å
203E96.7Very high93.4Very high82 Ų8259.6 Ų59.638%0.38335%0.349SS..EExtended strand (participates in β ladder)trans-93.7-43.1176.1-62.5179.6171.700110.5I146 R235I146-E203 HydrophobicContact CB-CB 4.41Å; I146-E203 HydrophobicContact CG2-CB 4.08Å; I146-E203 PolarHBondContact O-N 3.43Å; E203-R235 IonicContact OE1-CZ 3.06Å; E203-R235 IonicContact OE1-NE 3.63Å; E203-R235 PolarHBondContact OE1-NE 2.89Å; E203-R235 IonicContact OE1-NH2 2.92Å; E203-R235 PolarHBondContact OE1-NH2 2.82Å; E203-R235 WeakPolarHBondContact OE2-CD 3.38Å; E203-R235 IonicContact OE2-NE 3.43Å; E203-R235 PolarHBondContact OE2-NE 3.4Å
204V96Very high93.4Very high34 Ų3462.6 Ų62.621%0.20637%0.365CS..EExtended strand (participates in β ladder)trans-131.1136.2177.9-178.90000110.2K144 F145 I146 E206K144-V204 HydrophobicContact CD-CG1 4.49Å; K144-V204 HydrophobicContact CG-CG1 4.48Å; F145-V204 CarbonylContact C-O 3.55Å; F145-V204 VanDerWaalsContact CA-O 3.3Å; F145-V204 WeakPolarHBondContact CA-O 3.47Å; I146-V204 HydrophobicContact CB-CB 3.78Å; I146-V204 HydrophobicContact CB-CG2 3.97Å; I146-V204 HydrophobicContact CD1-CB 4.24Å; I146-V204 HydrophobicContact CD1-CG2 3.92Å; I146-V204 HydrophobicContact CG1-CB 3.97Å; I146-V204 HydrophobicContact CG1-CG2 4.16Å; I146-V204 PolarHBondContact N-O 2.9Å; I146-V204 PolarHBondContact O-N 3.36Å; V204-E206 HydrophobicContact CG1-CG 3.76Å
205F95.9Very high93.3Very high17 Ų1760.1 Ų60.18%0.07535%0.353CS..EExtended strand (participates in β ladder)trans-140.597.1171.3-168.1-68.8000108.5F145 L180 R197 V202 S207F145-F205 HydrophobicContact CD1-CD1 4.5Å; F145-F205 AromaticContact CD1-CD2 3.58Å; F145-F205 HydrophobicContact CD1-CD2 3.58Å; F145-F205 AromaticContact CD1-CE2 3.81Å; F145-F205 HydrophobicContact CD1-CE2 3.81Å; F145-F205 AromaticContact CD1-CG 3.96Å; F145-F205 HydrophobicContact CD1-CG 3.96Å; F145-F205 HydrophobicContact CD1-CZ 4.37Å; F145-F205 HydrophobicContact CE1-CD1 4.04Å; F145-F205 AromaticContact CE1-CD2 3.66Å; F145-F205 HydrophobicContact CE1-CD2 3.66Å; F145-F205 AromaticContact CE1-CE1 3.87Å; F145-F205 HydrophobicContact CE1-CE1 3.87Å; F145-F205 AromaticContact CE1-CE2 3.48Å; F145-F205 HydrophobicContact CE1-CE2 3.48Å; F145-F205 VanDerWaalsContact CE1-CE2 3.48Å; F145-F205 AromaticContact CE1-CG 3.94Å; F145-F205 HydrophobicContact CE1-CG 3.94Å; F145-F205 AromaticContact CE1-CZ 3.59Å; F145-F205 HydrophobicContact CE1-CZ 3.59Å; L180-F205 HydrophobicContact CB-CE2 4.38Å; R197-F205 HydrophobicContact CB-CB 4.38Å; R197-F205 HydrophobicContact CB-CD1 4.31Å; R197-F205 HydrophobicContact CB-CD2 3.87Å; R197-F205 HydrophobicContact CB-CE2 4.2Å; R197-F205 HydrophobicContact CB-CG 3.94Å; R197-F205 HydrophobicContact CG-CB 3.8Å; R197-F205 HydrophobicContact CG-CD1 4.18Å; R197-F205 HydrophobicContact CG-CD2 4.25Å; R197-F205 HydrophobicContact CG-CG 3.83Å; V202-F205 HydrophobicContact CG1-CB 4.04Å; F205-S207 WeakPolarHBondContact CE1-OG 3.4Å
206E93.6Very high93.3Very high101 Ų10163.4 Ų63.447%0.47237%0.365SS..EExtended strand (participates in β ladder)trans-116.8127178.9-69.8168.9-175.600108.6D143 K144 V204D143-E206 CarbonylContact C-O 3.58Å; D143-E206 VanDerWaalsContact CA-O 3.25Å; D143-E206 WeakPolarHBondContact CA-O 3.31Å; K144-E206 HydrophobicContact CB-CB 4.23Å; K144-E206 PolarHBondContact N-O 3.04Å; K144-E206 PolarHBondContact O-N 3.4Å; V204-E206 HydrophobicContact CG1-CG 3.76Å
207S91.6Very high93.3Very high32 Ų3261 Ų6122%0.22435%0.349CS..  trans-118.8124.1174.4-53.90000109.2D143 F205 A209D143-S207 WeakPolarHBondContact OD1-CA 3.29Å; F205-S207 WeakPolarHBondContact CE1-OG 3.4Å; S207-A209 VanDerWaalsContact C-N 3.34Å
208A88Confident93.3Very high55 Ų5560.3 Ų60.346%0.45535%0.346SS..SBendtrans-79.1-22.9-178.300000112I141 D143I141-A208 HydrophobicContact CB-CB 4.41Å; I141-A208 HydrophobicContact CG2-CB 3.52Å; D143-A208 PolarHBondContact OD1-N 2.66Å
209A86.3Confident93.4Very high26 Ų2655 Ų5522%0.21531%0.309CS..  trans-103.3146.8177.300000111.9P172 S207 R213P172-A209 VanDerWaalsContact CB-O 3.23Å; P172-A209 WeakPolarHBondContact CB-O 3.29Å; P172-A209 WeakPolarHBondContact CG-O 3.35Å; S207-A209 VanDerWaalsContact C-N 3.34Å; A209-R213 HydrophobicContact CB-CG 4.19Å
210A86.6Confident93.3Very high88 Ų8857.7 Ų57.773%0.72733%0.328SS*.SBendtrans-84.1-12.7173.800000113.4
211S91.1Very high93.2Very high73 Ų7353 Ų5351%0.5130%0.302SS..SBendtrans-105.5150.4178.357.90000111.3R213S211-R213 PolarHBondContact O-N 3.49Å
212P92.5Very high93.1Very high91 Ų9151.6 Ų51.659%0.59130%0.296SS*.  trans-53.8140.5172.7-25.134.5000112.3V170V170-P212 VanDerWaalsContact O-CA 3.26Å; V170-P212 WeakPolarHBondContact O-CA 3.43Å
213R91.5Very high93Very high47 Ų4754 Ų5418%0.17730%0.303CS..EExtended strand (participates in β ladder)trans-123.6147.9175.5-62.8-160.2-69.6172.3-14.9110.3D143 A169 V170 A209 S211 N241D143-R213 IonicContact OD1-CZ 3.69Å; D143-R213 IonicContact OD1-NE 3.82Å; D143-R213 IonicContact OD1-NH2 2.77Å; D143-R213 PolarHBondContact OD1-NH2 3Å; D143-R213 IonicContact OD2-CZ 3.18Å; D143-R213 IonicContact OD2-NE 3.05Å; D143-R213 PolarHBondContact OD2-NE 3.32Å; D143-R213 IonicContact OD2-NH2 2.76Å; D143-R213 PolarHBondContact OD2-NH2 2.69Å; A169-R213 CarbonylContact C-O 3.54Å; A169-R213 VanDerWaalsContact CA-O 3.3Å; A169-R213 WeakPolarHBondContact CA-O 3.43Å; V170-R213 PolarHBondContact N-O 2.99Å; V170-R213 PolarHBondContact O-N 3.01Å; A209-R213 HydrophobicContact CB-CG 4.19Å; S211-R213 PolarHBondContact O-N 3.49Å; R213-N241 PolarHBondContact NH1-O 3.49Å
214I93.3Very high92.9Very high100 Ų10051.7 Ų51.751%0.51329%0.293SS..EExtended strand (participates in β ladder)trans-133.6132.4-179.1-59.7179.3000107.9E167 V168 A169E167-I214 VanDerWaalsContact CD-CG2 3.46Å; E167-I214 HydrophobicContact CG-CG2 3.32Å; V168-I214 WeakPolarHBondContact O-CA 3.39Å; A169-I214 HydrophobicContact CB-CG1 4.05Å
215A94.2Very high92.8Very high9 Ų950 Ų507%0.07428%0.283CS..EExtended strand (participates in β ladder)trans-129.8138.5169.200000109V168 F217V168-A215 PolarHBondContact N-O 3.32Å; V168-A215 PolarHBondContact O-N 3.47Å; A215-F217 HydrophobicContact CB-CE2 3.65Å; A215-F217 HydrophobicContact CB-CZ 3.78Å
216R95.6Very high92.7Very high78 Ų7849.6 Ų49.629%0.29428%0.282SS..EExtended strand (participates in β ladder)trans-108142.2178.9-70.6-177.7-172.9115.88.1109.4I165 L166 E167 P268 D269I165-R216 HydrophobicContact CG2-CB 3.71Å; I165-R216 HydrophobicContact CG2-CG 3.91Å; L166-R216 WeakPolarHBondContact O-CA 3.47Å; E167-R216 HydrophobicContact CB-CG 4.19Å; E167-R216 HydrophobicContact CG-CG 4.15Å; E167-R216 IonicContact OE2-CZ 3.35Å; E167-R216 IonicContact OE2-NE 3.97Å; E167-R216 PolarHBondContact OE2-NE 2.89Å; E167-R216 IonicContact OE2-NH2 2.81Å; E167-R216 PolarHBondContact OE2-NH2 3.04Å; R216-P268 CarbonylContact O-C 3.52Å; R216-P268 WeakPolarHBondContact O-CA 3.33Å; R216-D269 PolarHBondContact O-N 3.42Å
217F95.6Very high92.5Very high3 Ų348.1 Ų48.11%0.01328%0.282CS..EExtended strand (participates in β ladder)trans-135.6145.3178.3-58-86000109.1I165 L166 V168 A215 L219 L222 G244 L246 C266 V267 P268I165-F217 CarbonylContact C-O 3.56Å; I165-F217 WeakPolarHBondContact CA-O 3.29Å; L166-F217 PolarHBondContact N-O 3.1Å; L166-F217 PolarHBondContact O-N 2.82Å; V168-F217 HydrophobicContact CB-CD2 4.48Å; V168-F217 HydrophobicContact CB-CE2 4.13Å; V168-F217 HydrophobicContact CG2-CD2 3.79Å; V168-F217 HydrophobicContact CG2-CE2 3.83Å; A215-F217 HydrophobicContact CB-CE2 3.65Å; A215-F217 HydrophobicContact CB-CZ 3.78Å; F217-L219 PolarHBondContact O-N 3.28Å; F217-L219 VanDerWaalsContact O-N 3.1Å; F217-L222 HydrophobicContact CB-CD2 4.26Å; F217-G244 VanDerWaalsContact CZ-O 3.26Å; F217-G244 WeakPolarHBondContact CZ-O 3.36Å; F217-L246 HydrophobicContact CD1-CB 4.47Å; F217-L246 HydrophobicContact CD2-CD2 4.46Å; F217-L246 HydrophobicContact CE1-CB 3.54Å; F217-L246 HydrophobicContact CE1-CD2 4.41Å; F217-L246 HydrophobicContact CE2-CB 4.15Å; F217-L246 HydrophobicContact CE2-CD2 4.13Å; F217-L246 HydrophobicContact CZ-CB 3.36Å; F217-L246 HydrophobicContact CZ-CD2 4.13Å; F217-L246 HydrophobicContact CZ-CG 4.35Å; F217-C266 HydrophobicContact CD1-CB 4.01Å; F217-C266 HydrophobicContact CE1-CB 4.2Å; F217-V267 WeakPolarHBondContact CD1-O 3.42Å; F217-P268 HydrophobicContact CE1-CB 4.18Å
218R94.8Very high92.5Very high114 Ų11452 Ų5243%0.4329%0.292SS..EExtended strand (participates in β ladder)trans-62.8116.8170-65.7-174.8-167.3168.88.6109.6E164 S220 L221 L222 D269E164-R218 CarbonylContact O-C 3.6Å; E164-R218 WeakPolarHBondContact O-CA 3.38Å; R218-S220 PolarHBondContact O-N 3.27Å; R218-L221 HydrophobicContact CB-CB 4.26Å; R218-L221 HydrophobicContact CB-CD1 4.14Å; R218-L221 HydrophobicContact CB-CG 4.11Å; R218-L221 PolarHBondContact O-N 3.08Å; R218-L221 VanDerWaalsContact O-N 3.13Å; R218-L222 PolarHBondContact O-N 3Å; R218-D269 HydrophobicContact CG-CB 4.17Å; R218-D269 WeakPolarHBondContact CG-OD2 3.33Å; R218-D269 IonicContact CZ-OD1 3.09Å; R218-D269 IonicContact NE-OD1 2.96Å; R218-D269 PolarHBondContact NE-OD1 2.7Å; R218-D269 VanDerWaalsContact NE-OD1 3.09Å; R218-D269 IonicContact NE-OD2 3.1Å; R218-D269 PolarHBondContact NE-OD2 3.15Å; R218-D269 IonicContact NH2-OD1 3.23Å; R218-D269 PolarHBondContact NH2-OD1 2.85Å
219L95Very high92.9Very high3 Ų349.4 Ų49.42%0.01627%0.271CS..Hα-helixtrans-59.7-38.5-175.317860.6000111.2L159 D160 S163 E164 L166 T184 F217 L221 L222 R223L159-L219 HydrophobicContact CD1-CD1 3.99Å; D160-L219 VanDerWaalsContact O-CD2 3.32Å; D160-L219 WeakPolarHBondContact O-CD2 3.46Å; S163-L219 WeakPolarHBondContact O-CD2 3.33Å; E164-L219 PolarHBondContact O-N 3.3Å; L166-L219 HydrophobicContact CB-CB 4.48Å; L166-L219 HydrophobicContact CB-CD1 4.1Å; T184-L219 HydrophobicContact CG2-CD2 4.04Å; F217-L219 PolarHBondContact O-N 3.28Å; F217-L219 VanDerWaalsContact O-N 3.1Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L221 PolarHBondContact O-N 2.88Å; L219-L222 PolarHBondContact O-N 3.49Å; L219-R223 HydrophobicContact CD1-CG 4.27Å; L219-R223 WeakPolarHBondContact O-CB 3.1Å; L219-R223 WeakPolarHBondContact O-CG 3.43Å; L219-R223 PolarHBondContact O-N 3.38Å
220S93.6Very high93.3Very high82 Ų8248.3 Ų48.357%0.57326%0.261SS*.Hα-helixtrans-61.3-38.6178.6590000113.2R218R218-S220 PolarHBondContact O-N 3.27Å
221L93.1Very high93.7Very high22 Ų2247.7 Ų47.712%0.11525%0.252CS..Hα-helixtrans-77.2-42.4176.5-63.1-177.8000111D45 C48 I49 R218 L219 R223 L224D45-L221 WeakPolarHBondContact OD2-CD2 3.39Å; C48-L221 HydrophobicContact CB-CD1 3.49Å; C48-L221 VanDerWaalsContact CB-CD1 3.49Å; I49-L221 WeakPolarHBondContact CD1-O 3.47Å; R218-L221 HydrophobicContact CB-CB 4.26Å; R218-L221 HydrophobicContact CB-CD1 4.14Å; R218-L221 HydrophobicContact CB-CG 4.11Å; R218-L221 PolarHBondContact O-N 3.08Å; R218-L221 VanDerWaalsContact O-N 3.13Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L221 PolarHBondContact O-N 2.88Å; L221-R223 PolarHBondContact O-N 3.34Å; L221-L224 HydrophobicContact CD2-CD1 4.17Å; L221-L224 WeakPolarHBondContact O-CB 3.16Å; L221-L224 WeakPolarHBondContact O-CG 3.45Å; L221-L224 PolarHBondContact O-N 2.7Å
222L93.7Very high93.7Very high4 Ų446.8 Ų46.82%0.02124%0.24CC..Hα-helixtrans-62.7-33.6179.2-167.967000112.1F156 L166 F217 R218 L219 L224 A225 T226 L246 I248 C266F156-L222 HydrophobicContact CE1-CD2 4.11Å; F156-L222 HydrophobicContact CE1-CG 4.48Å; F156-L222 HydrophobicContact CZ-CD2 4.41Å; L166-L222 HydrophobicContact CB-CD2 4.18Å; L166-L222 HydrophobicContact CD2-CD2 3.3Å; L166-L222 HydrophobicContact CG-CD2 4.31Å; F217-L222 HydrophobicContact CB-CD2 4.26Å; R218-L222 PolarHBondContact O-N 3Å; L219-L222 PolarHBondContact O-N 3.49Å; L222-L224 PolarHBondContact O-N 2.99Å; L222-A225 WeakPolarHBondContact O-CB 3.45Å; L222-A225 PolarHBondContact O-N 2.63Å; L222-T226 HydrophobicContact CG-CG2 4.39Å; L222-T226 WeakPolarHBondContact O-CG2 3.45Å; L222-T226 PolarHBondContact O-N 2.9Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 2.83Å; L222-L246 HydrophobicContact CD1-CD2 3.84Å; L222-I248 HydrophobicContact CD1-CD1 3.95Å; L222-C266 HydrophobicContact CD1-CB 4.16Å; L222-C266 VanDerWaalsContact CD1-SG 3.57Å
223R94.4Very high93.9Very high72 Ų7242.7 Ų42.727%0.27221%0.214SC..Hα-helixtrans-59.6-23.9171.7-81.3-175.3175.9-93-4.3113.5F156 L159 T161 L219 L221 A225 T226 S227F156-R223 PolarHBondContact O-NH2 3.17Å; L159-R223 PolarHBondContact O-NH2 3.32Å; T161-R223 VanDerWaalsContact CG2-NH2 3.27Å; L219-R223 HydrophobicContact CD1-CG 4.27Å; L219-R223 WeakPolarHBondContact O-CB 3.1Å; L219-R223 WeakPolarHBondContact O-CG 3.43Å; L219-R223 PolarHBondContact O-N 3.38Å; L221-R223 PolarHBondContact O-N 3.34Å; R223-A225 VanDerWaalsContact C-N 3.35Å; R223-T226 WeakPolarHBondContact CA-OG1 3.44Å; R223-T226 PolarHBondContact O-N 3.4Å; R223-S227 WeakPolarHBondContact O-CB 3.42Å; R223-S227 PolarHBondContact O-N 3.29Å; R223-S227 PolarHBondContact O-OG 2.87Å
224L94.5Very high94.1Very high34 Ų3442 Ų4218%0.17822%0.216CC..Hα-helixtrans-69.1-34.8173.2-54.4174.1000111.4F26 D45 I49 L221 L222F26-L224 HydrophobicContact CB-CB 4.01Å; F26-L224 HydrophobicContact CB-CD2 4.33Å; F26-L224 HydrophobicContact CD2-CB 3.96Å; F26-L224 HydrophobicContact CD2-CD1 3.96Å; F26-L224 HydrophobicContact CD2-CG 4.44Å; F26-L224 HydrophobicContact CG-CB 4.05Å; D45-L224 HydrophobicContact CB-CD1 4.35Å; D45-L224 WeakPolarHBondContact OD2-CD1 3.16Å; I49-L224 HydrophobicContact CD1-CB 4Å; I49-L224 HydrophobicContact CG2-CD1 4.35Å; L221-L224 HydrophobicContact CD2-CD1 4.17Å; L221-L224 WeakPolarHBondContact O-CB 3.16Å; L221-L224 WeakPolarHBondContact O-CG 3.45Å; L221-L224 PolarHBondContact O-N 2.7Å; L222-L224 PolarHBondContact O-N 2.99Å
225A94Very high94.2Very high0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-74.1-35.1173.300000112.6I49 L222 R223 I248 Y250 F264I49-A225 HydrophobicContact CD1-CB 3.69Å; L222-A225 WeakPolarHBondContact O-CB 3.45Å; L222-A225 PolarHBondContact O-N 2.63Å; R223-A225 VanDerWaalsContact C-N 3.35Å; A225-I248 HydrophobicContact CB-CD1 4.18Å; A225-Y250 VanDerWaalsContact O-CE2 3.31Å; A225-Y250 WeakPolarHBondContact O-CE2 3.39Å; A225-Y250 PolarHBondContact O-OH 3.47Å; A225-Y250 VanDerWaalsContact O-OH 3.07Å; A225-F264 HydrophobicContact CB-CB 3.76Å; A225-F264 HydrophobicContact CB-CD1 3.54Å; A225-F264 HydrophobicContact CB-CD2 4.22Å; A225-F264 HydrophobicContact CB-CE1 4.12Å; A225-F264 HydrophobicContact CB-CG 3.58Å
226T93.3Very high94.4Very high8 Ų840.7 Ų40.75%0.04920%0.203CC..Hα-helixtrans-102.1-5.4-166.764.90000115F156 L222 R223 L230 I248 Y250F156-T226 HydrophobicContact CD1-CG2 4.11Å; F156-T226 WeakPolarHBondContact CD1-OG1 3.33Å; F156-T226 HydrophobicContact CD2-CG2 4.17Å; F156-T226 HydrophobicContact CE1-CG2 3.66Å; F156-T226 HydrophobicContact CE2-CG2 3.73Å; F156-T226 HydrophobicContact CG-CG2 4.37Å; F156-T226 HydrophobicContact CZ-CG2 3.48Å; F156-T226 VanDerWaalsContact CZ-CG2 3.48Å; L222-T226 HydrophobicContact CG-CG2 4.39Å; L222-T226 WeakPolarHBondContact O-CG2 3.45Å; L222-T226 PolarHBondContact O-N 2.9Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 2.83Å; R223-T226 WeakPolarHBondContact CA-OG1 3.44Å; R223-T226 PolarHBondContact O-N 3.4Å; T226-L230 WeakPolarHBondContact O-CB 3.16Å; T226-L230 WeakPolarHBondContact O-CD2 3.4Å; T226-I248 HydrophobicContact CG2-CD1 4.21Å; T226-Y250 WeakPolarHBondContact CA-OH 3.37Å; T226-Y250 WeakPolarHBondContact CG2-OH 3.28Å
227S88.8Confident94.4Very high69 Ų6937.2 Ų37.248%0.48319%0.19SC..SBendtrans-78.8-63-178.951.20000112.9R223R223-S227 WeakPolarHBondContact O-CB 3.42Å; R223-S227 PolarHBondContact O-N 3.29Å; R223-S227 PolarHBondContact O-OG 2.87Å
228R93.5Very high94.4Very high114 Ų11437.7 Ų37.743%0.4319%0.193SC..Hα-helixtrans-83.2-54.1-174.8-66.4-174.5-177-176.84.4112.3K22 H25 L230 S231 M232K22-R228 WeakPolarHBondContact O-CD 3.3Å; H25-R228 PolarHBondContact ND1-NH1 3.24Å; H25-R228 PolarHBondContact O-NH1 3.4Å; R228-L230 PolarHBondContact O-N 3.12Å; R228-S231 WeakPolarHBondContact O-CB 3.22Å; R228-S231 PolarHBondContact O-N 3.23Å; R228-S231 VanDerWaalsContact O-N 3.08Å; R228-S231 PolarHBondContact O-OG 3.15Å; R228-M232 WeakPolarHBondContact O-CG 3.46Å; R228-M232 PolarHBondContact O-N 3.48Å
229A95.1Very high94.4Very high0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-60.9-42.7-173.900000112.6A23 S231 M232 A233 Y250 V262 F264A23-A229 HydrophobicContact CB-CB 4.11Å; A229-S231 VanDerWaalsContact C-N 3.31Å; A229-S231 PolarHBondContact O-N 3.44Å; A229-M232 PolarHBondContact O-N 3.25Å; A229-M232 VanDerWaalsContact O-N 3.13Å; A229-A233 WeakPolarHBondContact O-CB 3.48Å; A229-A233 PolarHBondContact O-N 2.83Å; A229-Y250 HydrophobicContact CB-CD1 4.43Å; A229-Y250 HydrophobicContact CB-CD2 3.32Å; A229-Y250 HydrophobicContact CB-CE2 3.52Å; A229-Y250 HydrophobicContact CB-CG 3.8Å; A229-V262 HydrophobicContact CB-CG1 4.41Å; A229-F264 HydrophobicContact CB-CE2 3.63Å; A229-F264 HydrophobicContact CB-CZ 4.27Å
230L95.8Very high94.2Very high3 Ų334.8 Ų34.82%0.01618%0.182CC..Hα-helixtrans-62.5-34175.3-178.358.6000113.6M152 R153 F156 T226 R228 M232 A233 I236 Y250M152-L230 HydrophobicContact CB-CD1 3.9Å; M152-L230 HydrophobicContact CB-CD2 4.28Å; R153-L230 HydrophobicContact CG-CD1 4.16Å; R153-L230 HydrophobicContact CG-CD2 4.08Å; R153-L230 HydrophobicContact CG-CG 3.66Å; R153-L230 PolarHBondContact NH1-O 3.25Å; R153-L230 VanDerWaalsContact NH1-O 3.13Å; F156-L230 HydrophobicContact CB-CD2 4.34Å; F156-L230 HydrophobicContact CD2-CD2 3.72Å; F156-L230 HydrophobicContact CG-CD2 4.33Å; T226-L230 WeakPolarHBondContact O-CB 3.16Å; T226-L230 WeakPolarHBondContact O-CD2 3.4Å; R228-L230 PolarHBondContact O-N 3.12Å; L230-M232 PolarHBondContact O-N 3.35Å; L230-A233 PolarHBondContact O-N 3.06Å; L230-I236 HydrophobicContact CD1-CD1 4.29Å; L230-Y250 HydrophobicContact CB-CD1 4.44Å; L230-Y250 HydrophobicContact CB-CE1 3.67Å; L230-Y250 HydrophobicContact CD1-CE1 3.92Å; L230-Y250 HydrophobicContact CG-CE1 4.35Å
231S93.7Very high94.1Very high76 Ų7630.9 Ų30.953%0.53116%0.155SC..Hα-helixtrans-66.6-27.3176.876.70000112.6R228 A229R228-S231 WeakPolarHBondContact O-CB 3.22Å; R228-S231 PolarHBondContact O-N 3.23Å; R228-S231 VanDerWaalsContact O-N 3.08Å; R228-S231 PolarHBondContact O-OG 3.15Å; A229-S231 VanDerWaalsContact C-N 3.31Å; A229-S231 PolarHBondContact O-N 3.44Å
232M92.8Very high93.8Very high53 Ų5334.2 Ų34.226%0.26117%0.173SC..Hα-helixtrans-96.5-17.7-178.1-58.6176.56600112.9N19 A23 R228 A229 L230 I252N19-M232 HydrophobicContact CB-CE 3.45Å; N19-M232 VanDerWaalsContact CB-CE 3.45Å; N19-M232 WeakPolarHBondContact O-CE 3.47Å; A23-M232 HydrophobicContact CB-SD 4.04Å; R228-M232 WeakPolarHBondContact O-CG 3.46Å; R228-M232 PolarHBondContact O-N 3.48Å; A229-M232 PolarHBondContact O-N 3.25Å; A229-M232 VanDerWaalsContact O-N 3.13Å; L230-M232 PolarHBondContact O-N 3.35Å; M232-I252 HydrophobicContact CB-CD1 4.17Å; M232-I252 HydrophobicContact CB-CG1 4.32Å; M232-I252 HydrophobicContact CB-CG2 4.46Å
233A95.4Very high93.5Very high6 Ų639.3 Ų39.35%0.0519%0.192CC..EExtended strand (participates in β ladder)trans-76.9146.6-174.700000112.2S149 R153 A229 L230 Y250 M251S149-A233 VanDerWaalsContact CB-O 3.28Å; S149-A233 WeakPolarHBondContact CB-O 3.3Å; S149-A233 PolarHBondContact OG-O 2.69Å; R153-A233 PolarHBondContact NH1-O 2.84Å; R153-A233 VanDerWaalsContact NH1-O 3.15Å; A229-A233 WeakPolarHBondContact O-CB 3.48Å; A229-A233 PolarHBondContact O-N 2.83Å; L230-A233 PolarHBondContact O-N 3.06Å; A233-Y250 HydrophobicContact CB-CD1 3.68Å; A233-Y250 HydrophobicContact CB-CG 4.23Å; A233-M251 CarbonylContact C-O 3.53Å; A233-M251 WeakPolarHBondContact CA-O 3.37Å
234S95.2Very high93.3Very high31 Ų3136.5 Ų36.522%0.21719%0.186CC..EExtended strand (participates in β ladder)trans-90.3-42165.760.60000110.7S149 M251 N253S149-S234 WeakPolarHBondContact CB-O 3.33Å; S149-S234 PolarHBondContact N-O 3.01Å; S149-S234 VanDerWaalsContact OG-C 3.3Å; S149-S234 PolarHBondContact OG-O 3.35Å; S234-M251 PolarHBondContact N-O 2.83Å; S234-M251 PolarHBondContact OG-O 2.82Å; S234-N253 PolarHBondContact OG-OD1 3.14Å
235R97.1Very high93.1Very high83 Ų8336.8 Ų36.831%0.31319%0.186SC..EExtended strand (participates in β ladder)trans-126.9154.7176.2-66.8-178169.978.17.2112.2E203 M251 W309E203-R235 IonicContact OE1-CZ 3.06Å; E203-R235 IonicContact OE1-NE 3.63Å; E203-R235 PolarHBondContact OE1-NE 2.89Å; E203-R235 IonicContact OE1-NH2 2.92Å; E203-R235 PolarHBondContact OE1-NH2 2.82Å; E203-R235 WeakPolarHBondContact OE2-CD 3.38Å; E203-R235 IonicContact OE2-NE 3.43Å; E203-R235 PolarHBondContact OE2-NE 3.4Å; R235-M251 HydrophobicContact CB-CB 4.05Å; R235-M251 HydrophobicContact CB-SD 4.28Å; R235-M251 HydrophobicContact CG-SD 4.32Å; R235-M251 PolarHBondContact O-N 3.14Å; R235-W309 HydrophobicContact CB-CH2 4.25Å
236I97.3Very high93.1Very high0 Ų037.1 Ų37.10%019%0.187CC..EExtended strand (participates in β ladder)trans-127.4134.5173.7-172.1179.9000109.7I146 M147 M152 L230 L238 I248 Q249 Y250I146-I236 WeakPolarHBondContact CA-O 3.3Å; M147-I236 HydrophobicContact CG-CG2 3.35Å; M147-I236 PolarHBondContact N-O 3.33Å; M147-I236 PolarHBondContact O-N 2.76Å; M147-I236 HydrophobicContact SD-CG2 4.24Å; M152-I236 HydrophobicContact CB-CG2 4.43Å; M152-I236 HydrophobicContact CG-CD1 4.31Å; M152-I236 HydrophobicContact CG-CG2 3.89Å; L230-I236 HydrophobicContact CD1-CD1 4.29Å; I236-L238 HydrophobicContact CD1-CD2 3.73Å; I236-L238 HydrophobicContact CD1-CG 4.19Å; I236-L238 HydrophobicContact CG1-CD2 4.1Å; I236-L238 HydrophobicContact CG1-CG 4.33Å; I236-I248 HydrophobicContact CD1-CG2 3.68Å; I236-I248 HydrophobicContact CG1-CG2 3.78Å; I236-Q249 CarbonylContact C-O 3.59Å; I236-Q249 WeakPolarHBondContact CA-O 3.32Å; I236-Y250 HydrophobicContact CB-CD1 4.36Å; I236-Y250 HydrophobicContact CB-CE1 4.42Å; I236-Y250 HydrophobicContact CD1-CD1 4.33Å; I236-Y250 HydrophobicContact CD1-CE1 3.6Å; I236-Y250 HydrophobicContact CG1-CD1 4.05Å; I236-Y250 HydrophobicContact CG1-CE1 3.81Å
237S96.2Very high93.2Very high4 Ų436.7 Ų36.73%0.02819%0.185CC..EExtended strand (participates in β ladder)trans-109.8122.5166.9-178.10000109.2F145 I248 Q249F145-S237 CarbonylContact O-C 3.42Å; F145-S237 VanDerWaalsContact O-CA 3.24Å; F145-S237 WeakPolarHBondContact O-CA 3.18Å; S237-I248 CarbonylContact O-C 3.54Å; S237-I248 WeakPolarHBondContact O-CA 3.32Å; S237-Q249 PolarHBondContact N-O 3.45Å; S237-Q249 PolarHBondContact O-N 3.27Å
238L95.3Very high93.5Very high13 Ų1333.5 Ų33.57%0.06816%0.162CC..EExtended strand (participates in β ladder)trans-106.4127.6172-58.9174.3000108.2K144 F145 L180 I236 L246 S247 I248K144-L238 WeakPolarHBondContact CA-O 3.46Å; F145-L238 HydrophobicContact CB-CB 4.25Å; F145-L238 HydrophobicContact CD2-CB 4.13Å; F145-L238 PolarHBondContact N-O 2.93Å; F145-L238 PolarHBondContact O-N 3.14Å; L180-L238 HydrophobicContact CD2-CD1 3.82Å; I236-L238 HydrophobicContact CD1-CD2 3.73Å; I236-L238 HydrophobicContact CD1-CG 4.19Å; I236-L238 HydrophobicContact CG1-CD2 4.1Å; I236-L238 HydrophobicContact CG1-CG 4.33Å; L238-L246 HydrophobicContact CB-CD1 4.39Å; L238-L246 HydrophobicContact CD2-CD1 4.26Å; L238-S247 CarbonylContact C-O 3.5Å; L238-S247 WeakPolarHBondContact CA-O 3.24Å; L238-I248 HydrophobicContact CD2-CB 4.11Å; L238-I248 HydrophobicContact CD2-CD1 4.23Å; L238-I248 HydrophobicContact CD2-CG1 3.73Å; L238-I248 HydrophobicContact CD2-CG2 3.7Å
239R93.8Very high93.6Very high47 Ų4728.5 Ų28.518%0.17714%0.144CC..EExtended strand (participates in β ladder)trans-124.2132.4170.5-57.6-174.9-61.3-89-0.4110.7F136 D143 K144 L246 S247 E263F136-R239 HydrophobicContact CE1-CB 3.83Å; F136-R239 HydrophobicContact CZ-CB 3.72Å; F136-R239 WeakPolarHBondContact CZ-O 3.25Å; D143-R239 CarbonylContact O-C 3.59Å; D143-R239 WeakPolarHBondContact O-CA 3.36Å; K144-R239 HydrophobicContact CB-CG 4.4Å; K144-R239 HydrophobicContact CG-CG 4.29Å; R239-L246 WeakPolarHBondContact O-CA 3.18Å; R239-S247 PolarHBondContact N-O 2.86Å; R239-S247 PolarHBondContact NH2-OG 2.98Å; R239-S247 VanDerWaalsContact NH2-OG 3.09Å; R239-S247 PolarHBondContact O-N 3.01Å; R239-E263 IonicContact CZ-OE1 2.68Å; R239-E263 IonicContact NH2-OE1 3.3Å; R239-E263 PolarHBondContact NH2-OE1 2.88Å
240I92.7Very high93.7Very high9 Ų928.5 Ų28.55%0.04614%0.144CC..EExtended strand (participates in β ladder)trans-121.6117.9177.4-55.8172.2000108.5S142 D143 F145 V168 V170 F245 L246S142-I240 CarbonylContact C-O 3.51Å; S142-I240 WeakPolarHBondContact CA-O 3.46Å; D143-I240 PolarHBondContact N-O 2.97Å; D143-I240 PolarHBondContact O-N 3.19Å; F145-I240 HydrophobicContact CE2-CD1 4.46Å; V168-I240 HydrophobicContact CG1-CD1 3.72Å; V170-I240 HydrophobicContact CG2-CD1 4.03Å; I240-F245 WeakPolarHBondContact CA-O 3.18Å; I240-L246 HydrophobicContact CD1-CD1 4.45Å; I240-L246 HydrophobicContact CG1-CD1 3.76Å
241N90.5Very high93.7Very high1 Ų129.6 Ų29.61%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-82.2171.817873.59.2000112.2F136 I141 R213 R243 G244 F245F136-N241 HydrophobicContact CE2-CB 4.07Å; F136-N241 HydrophobicContact CZ-CB 4Å; I141-N241 WeakPolarHBondContact O-CA 3.33Å; R213-N241 PolarHBondContact NH1-O 3.49Å; N241-R243 PolarHBondContact O-N 3.47Å; N241-R243 WeakPolarHBondContact OD1-CA 3.24Å; N241-R243 WeakPolarHBondContact OD1-CB 3.28Å; N241-R243 PolarHBondContact OD1-N 2.9Å; N241-R243 VanDerWaalsContact OD1-N 3.07Å; N241-G244 PolarHBondContact O-N 3.42Å; N241-G244 PolarHBondContact OD1-N 2.87Å; N241-F245 PolarHBondContact N-O 3.49Å; N241-F245 VanDerWaalsContact N-O 3.15Å; N241-F245 PolarHBondContact OD1-N 3.45Å
242D87.1Confident93.6Very high92 Ų9226.2 Ų26.249%0.49213%0.125SC..THydrogen-bonded Turntrans-57.2-25173.661.3-21.9000115.4S139 I141 G244S139-D242 PolarHBondContact OG-OD1 3.36Å; I141-D242 HydrophobicContact CB-CB 4.33Å; I141-D242 HydrophobicContact CG2-CB 4.39Å; I141-D242 PolarHBondContact O-N 3.35Å; I141-D242 VanDerWaalsContact O-N 3.15Å; D242-G244 VanDerWaalsContact C-N 3.33Å
243R87.2Confident93.5Very high110 Ų11028.2 Ų28.242%0.41514%0.137SC..THydrogen-bonded Turntrans-85.1-1.7174.2-68.2177.7-75.2175.5-3.7113.8D135 S138 N241 F245D135-R243 PolarHBondContact O-NH2 3.47Å; D135-R243 IonicContact OD2-NH2 3.49Å; S138-R243 PolarHBondContact OG-NH2 2.93Å; N241-R243 PolarHBondContact O-N 3.47Å; N241-R243 WeakPolarHBondContact OD1-CA 3.24Å; N241-R243 WeakPolarHBondContact OD1-CB 3.28Å; N241-R243 PolarHBondContact OD1-N 2.9Å; N241-R243 VanDerWaalsContact OD1-N 3.07Å; R243-F245 VanDerWaalsContact C-N 3.34Å; R243-F245 HydrophobicContact CB-CD2 3.68Å; R243-F245 HydrophobicContact CB-CE2 3.9Å
244G89.1Confident92.9Very high14 Ų1428.6 Ų28.614%0.14414%0.138CC..  trans80.86.1-179.700000115F217 N241 D242F217-G244 VanDerWaalsContact CZ-O 3.26Å; F217-G244 WeakPolarHBondContact CZ-O 3.36Å; N241-G244 PolarHBondContact O-N 3.42Å; N241-G244 PolarHBondContact OD1-N 2.87Å; D242-G244 VanDerWaalsContact C-N 3.33Å
245F92.1Very high92.1Very high39 Ų3930.6 Ų30.617%0.17115%0.152CC..  trans-66.6141.6170.4-69.6-97.8000110.1F134 F136 I240 N241 R243 V267F134-F245 AromaticContact CD1-CD1 3.65Å; F134-F245 HydrophobicContact CD1-CD1 3.65Å; F134-F245 AromaticContact CD1-CE1 3.75Å; F134-F245 HydrophobicContact CD1-CE1 3.75Å; F134-F245 HydrophobicContact CE1-CD1 4.24Å; F134-F245 HydrophobicContact CE1-CE1 4.28Å; F136-F245 HydrophobicContact CD2-CB 4.06Å; F136-F245 HydrophobicContact CE2-CB 4.02Å; F136-F245 WeakPolarHBondContact CE2-O 3.4Å; I240-F245 WeakPolarHBondContact CA-O 3.18Å; N241-F245 PolarHBondContact N-O 3.49Å; N241-F245 VanDerWaalsContact N-O 3.15Å; N241-F245 PolarHBondContact OD1-N 3.45Å; R243-F245 VanDerWaalsContact C-N 3.34Å; R243-F245 HydrophobicContact CB-CD2 3.68Å; R243-F245 HydrophobicContact CB-CE2 3.9Å; F245-V267 HydrophobicContact CD1-CG2 4.31Å; F245-V267 HydrophobicContact CE1-CB 4.24Å; F245-V267 HydrophobicContact CE1-CG1 4.03Å; F245-V267 HydrophobicContact CE1-CG2 3.86Å; F245-V267 HydrophobicContact CZ-CG1 4.46Å
246L93.6Very high91Very high7 Ų730.8 Ų30.84%0.03716%0.159CC..EExtended strand (participates in β ladder)trans-110123.8177172.466.4000109.6F217 L222 L238 R239 I240 I248 F265 C266F217-L246 HydrophobicContact CD1-CB 4.47Å; F217-L246 HydrophobicContact CD2-CD2 4.46Å; F217-L246 HydrophobicContact CE1-CB 3.54Å; F217-L246 HydrophobicContact CE1-CD2 4.41Å; F217-L246 HydrophobicContact CE2-CB 4.15Å; F217-L246 HydrophobicContact CE2-CD2 4.13Å; F217-L246 HydrophobicContact CZ-CB 3.36Å; F217-L246 HydrophobicContact CZ-CD2 4.13Å; F217-L246 HydrophobicContact CZ-CG 4.35Å; L222-L246 HydrophobicContact CD1-CD2 3.84Å; L238-L246 HydrophobicContact CB-CD1 4.39Å; L238-L246 HydrophobicContact CD2-CD1 4.26Å; R239-L246 WeakPolarHBondContact O-CA 3.18Å; I240-L246 HydrophobicContact CD1-CD1 4.45Å; I240-L246 HydrophobicContact CG1-CD1 3.76Å; L246-I248 HydrophobicContact CD1-CG1 4.17Å; L246-I248 HydrophobicContact CD2-CD1 3.82Å; L246-I248 HydrophobicContact CD2-CG1 3.95Å; L246-I248 HydrophobicContact CG-CD1 4.18Å; L246-I248 HydrophobicContact CG-CG1 3.74Å; L246-F265 CarbonylContact O-C 3.59Å; L246-F265 WeakPolarHBondContact O-CA 3.37Å; L246-C266 HydrophobicContact CB-CB 4.23Å; L246-C266 PolarHBondContact N-O 3.39Å; L246-C266 PolarHBondContact O-N 3.48Å
247S94.2Very high90.2Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-103.3125.6168.7-167.10000108.5L238 R239 E263 F264 F265L238-S247 CarbonylContact C-O 3.5Å; L238-S247 WeakPolarHBondContact CA-O 3.24Å; R239-S247 PolarHBondContact N-O 2.86Å; R239-S247 PolarHBondContact NH2-OG 2.98Å; R239-S247 VanDerWaalsContact NH2-OG 3.09Å; R239-S247 PolarHBondContact O-N 3.01Å; S247-E263 PolarHBondContact OG-OE1 2.94Å; S247-E263 VanDerWaalsContact OG-OE1 3.07Å; S247-F264 CarbonylContact C-O 3.56Å; S247-F264 WeakPolarHBondContact CA-O 3.23Å; S247-F265 VanDerWaalsContact OG-CE1 3.3Å; S247-F265 WeakPolarHBondContact OG-CE1 3.44Å
248I96Very high89.6Confident1 Ų139.1 Ų39.11%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-119.9112177.9-47.6-179.6000108.4L222 A225 T226 I236 S237 L238 L246 Y250 E263 F264L222-I248 HydrophobicContact CD1-CD1 3.95Å; A225-I248 HydrophobicContact CB-CD1 4.18Å; T226-I248 HydrophobicContact CG2-CD1 4.21Å; I236-I248 HydrophobicContact CD1-CG2 3.68Å; I236-I248 HydrophobicContact CG1-CG2 3.78Å; S237-I248 CarbonylContact O-C 3.54Å; S237-I248 WeakPolarHBondContact O-CA 3.32Å; L238-I248 HydrophobicContact CD2-CB 4.11Å; L238-I248 HydrophobicContact CD2-CD1 4.23Å; L238-I248 HydrophobicContact CD2-CG1 3.73Å; L238-I248 HydrophobicContact CD2-CG2 3.7Å; L246-I248 HydrophobicContact CD1-CG1 4.17Å; L246-I248 HydrophobicContact CD2-CD1 3.82Å; L246-I248 HydrophobicContact CD2-CG1 3.95Å; L246-I248 HydrophobicContact CG-CD1 4.18Å; L246-I248 HydrophobicContact CG-CG1 3.74Å; I248-Y250 HydrophobicContact CB-CE2 4.29Å; I248-Y250 HydrophobicContact CG2-CD2 4.22Å; I248-Y250 HydrophobicContact CG2-CE1 3.89Å; I248-Y250 HydrophobicContact CG2-CE2 3.53Å; I248-Y250 WeakPolarHBondContact CG2-OH 3.49Å; I248-E263 CarbonylContact O-C 3.6Å; I248-E263 VanDerWaalsContact O-CA 3.31Å; I248-E263 WeakPolarHBondContact O-CA 3.34Å; I248-F264 HydrophobicContact CB-CB 4.33Å; I248-F264 PolarHBondContact N-O 3.37Å; I248-F264 PolarHBondContact O-N 2.89Å
249Q95.8Very high89.3Confident10 Ų1041.6 Ų41.65%0.04723%0.231CC..EExtended strand (participates in β ladder)trans-107.9130.1175.7-166.4-174.756.600110.2I236 S237 F261 V262 E263I236-Q249 CarbonylContact C-O 3.59Å; I236-Q249 WeakPolarHBondContact CA-O 3.32Å; S237-Q249 PolarHBondContact N-O 3.45Å; S237-Q249 PolarHBondContact O-N 3.27Å; Q249-F261 HydrophobicContact CG-CB 4.28Å; Q249-F261 HydrophobicContact CG-CD1 4.24Å; Q249-V262 CarbonylContact C-O 3.51Å; Q249-V262 WeakPolarHBondContact CA-O 3.03Å; Q249-E263 HydrophobicContact CG-CB 4.42Å
250Y96.9Very high89.1Confident0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-108.6125.5179.3-64.6-72.4000109.7A225 T226 A229 L230 A233 I236 I248 F261 V262 F264A225-Y250 VanDerWaalsContact O-CE2 3.31Å; A225-Y250 WeakPolarHBondContact O-CE2 3.39Å; A225-Y250 PolarHBondContact O-OH 3.47Å; A225-Y250 VanDerWaalsContact O-OH 3.07Å; T226-Y250 WeakPolarHBondContact CA-OH 3.37Å; T226-Y250 WeakPolarHBondContact CG2-OH 3.28Å; A229-Y250 HydrophobicContact CB-CD1 4.43Å; A229-Y250 HydrophobicContact CB-CD2 3.32Å; A229-Y250 HydrophobicContact CB-CE2 3.52Å; A229-Y250 HydrophobicContact CB-CG 3.8Å; L230-Y250 HydrophobicContact CB-CD1 4.44Å; L230-Y250 HydrophobicContact CB-CE1 3.67Å; L230-Y250 HydrophobicContact CD1-CE1 3.92Å; L230-Y250 HydrophobicContact CG-CE1 4.35Å; A233-Y250 HydrophobicContact CB-CD1 3.68Å; A233-Y250 HydrophobicContact CB-CG 4.23Å; I236-Y250 HydrophobicContact CB-CD1 4.36Å; I236-Y250 HydrophobicContact CB-CE1 4.42Å; I236-Y250 HydrophobicContact CD1-CD1 4.33Å; I236-Y250 HydrophobicContact CD1-CE1 3.6Å; I236-Y250 HydrophobicContact CG1-CD1 4.05Å; I236-Y250 HydrophobicContact CG1-CE1 3.81Å; I248-Y250 HydrophobicContact CB-CE2 4.29Å; I248-Y250 HydrophobicContact CG2-CD2 4.22Å; I248-Y250 HydrophobicContact CG2-CE1 3.89Å; I248-Y250 HydrophobicContact CG2-CE2 3.53Å; I248-Y250 WeakPolarHBondContact CG2-OH 3.49Å; Y250-F261 WeakPolarHBondContact O-CA 3.41Å; Y250-V262 PolarHBondContact N-O 3.21Å; Y250-V262 PolarHBondContact O-N 2.83Å; Y250-F264 AromaticContact CD2-CD2 3.86Å; Y250-F264 HydrophobicContact CD2-CD2 3.86Å; Y250-F264 HydrophobicContact CD2-CE2 4.01Å; Y250-F264 AromaticContact CE2-CD2 3.6Å; Y250-F264 HydrophobicContact CE2-CD2 3.6Å; Y250-F264 AromaticContact CE2-CE2 3.87Å; Y250-F264 HydrophobicContact CE2-CE2 3.87Å
251M95.2Very high89.1Confident26 Ų2641 Ų4113%0.12823%0.231CC..EExtended strand (participates in β ladder)trans-89.6116.4169.6178.9-177.3152.700108.8A233 S234 R235 N253 V259 F261A233-M251 CarbonylContact C-O 3.53Å; A233-M251 WeakPolarHBondContact CA-O 3.37Å; S234-M251 PolarHBondContact N-O 2.83Å; S234-M251 PolarHBondContact OG-O 2.82Å; R235-M251 HydrophobicContact CB-CB 4.05Å; R235-M251 HydrophobicContact CB-SD 4.28Å; R235-M251 HydrophobicContact CG-SD 4.32Å; R235-M251 PolarHBondContact O-N 3.14Å; M251-N253 WeakPolarHBondContact CE-OD1 3.34Å; M251-V259 HydrophobicContact CE-CB 4.45Å; M251-V259 HydrophobicContact CE-CG1 3.68Å; M251-F261 HydrophobicContact CB-CD1 4.2Å; M251-F261 HydrophobicContact CB-CE1 3.87Å; M251-F261 HydrophobicContact CG-CE1 3.91Å; M251-F261 HydrophobicContact CG-CZ 4.47Å
252I92.6Very high89.3Confident5 Ų541 Ų413%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-109.9123.2179.9-60.2176.7000108.2A23 M232 A260 V262A23-I252 HydrophobicContact CB-CD1 3.76Å; M232-I252 HydrophobicContact CB-CD1 4.17Å; M232-I252 HydrophobicContact CB-CG1 4.32Å; M232-I252 HydrophobicContact CB-CG2 4.46Å; I252-A260 HydrophobicContact CB-CB 4.49Å; I252-A260 PolarHBondContact N-O 2.89Å; I252-A260 PolarHBondContact O-N 2.82Å; I252-V262 HydrophobicContact CD1-CB 4.43Å; I252-V262 HydrophobicContact CD1-CG2 3.81Å
253N89.7Confident89.7Confident95 Ų9537.5 Ų37.551%0.50821%0.211SC..EExtended strand (participates in β ladder)trans-79.8126.4176.2-60-8.4000109.1S234 M251S234-N253 PolarHBondContact OG-OD1 3.14Å; M251-N253 WeakPolarHBondContact CE-OD1 3.34Å
254L84.4Confident90.1Very high14 Ų1432.3 Ų32.37%0.07319%0.192CC..  trans-90162.1178.5-58.1173.8000110.6V16 I20 D256 G257 E258 A260V16-L254 HydrophobicContact CG1-CB 4.49Å; V16-L254 HydrophobicContact CG1-CD1 3.72Å; V16-L254 HydrophobicContact CG1-CD2 4.14Å; V16-L254 HydrophobicContact CG1-CG 4.33Å; I20-L254 HydrophobicContact CD1-CD1 4.39Å; I20-L254 HydrophobicContact CD1-CD2 3.97Å; I20-L254 HydrophobicContact CG1-CD2 4Å; L254-D256 VanDerWaalsContact C-N 3.26Å; L254-D256 WeakPolarHBondContact CB-OD1 2.98Å; L254-D256 PolarHBondContact O-N 3.32Å; L254-G257 PolarHBondContact O-N 3.08Å; L254-E258 HydrophobicContact CB-CB 4.4Å; L254-E258 WeakPolarHBondContact CB-O 3.33Å; L254-E258 HydrophobicContact CD1-CB 3.97Å; L254-E258 PolarHBondContact N-O 2.66Å; L254-A260 HydrophobicContact CD1-CB 3.96Å; L254-A260 HydrophobicContact CD2-CB 3.96Å; L254-A260 HydrophobicContact CG-CB 4.05Å
255S76.6Confident90.4Very high72 Ų7232.5 Ų32.550%0.50319%0.189SC..THydrogen-bonded Turntrans-70.6-20.3-17451.40000114.4G257S255-G257 VanDerWaalsContact C-N 3.31Å
256D75.8Confident90.5Very high87 Ų8730.9 Ų30.947%0.46518%0.182SC..THydrogen-bonded Turntrans-86.3-0.3177.152.33.7000113.1L254 E258L254-D256 VanDerWaalsContact C-N 3.26Å; L254-D256 WeakPolarHBondContact CB-OD1 2.98Å; L254-D256 PolarHBondContact O-N 3.32Å; D256-E258 VanDerWaalsContact C-N 3.32Å; D256-E258 WeakPolarHBondContact OD1-CB 3.18Å; D256-E258 PolarHBondContact OD1-N 3.28Å; D256-E258 VanDerWaalsContact OD1-N 3.12Å
257G79.6Confident90.5Very high66 Ų6632.5 Ų32.568%0.6819%0.192SC*.SBendtrans90.2-6.2-176.100000113.8L254 S255L254-G257 PolarHBondContact O-N 3.08Å; S255-G257 VanDerWaalsContact C-N 3.31Å
258E83.8Confident90.5Very high113 Ų11333.3 Ų33.353%0.52820%0.198SC..  trans-73.9168.2173.3-65.3-62138.300111.5L254 D256L254-E258 HydrophobicContact CB-CB 4.4Å; L254-E258 WeakPolarHBondContact CB-O 3.33Å; L254-E258 HydrophobicContact CD1-CB 3.97Å; L254-E258 PolarHBondContact N-O 2.66Å; D256-E258 VanDerWaalsContact C-N 3.32Å; D256-E258 WeakPolarHBondContact OD1-CB 3.18Å; D256-E258 PolarHBondContact OD1-N 3.28Å; D256-E258 VanDerWaalsContact OD1-N 3.12Å
259V87.8Confident90.2Very high66 Ų6635.1 Ų35.140%0.421%0.207SC..EExtended strand (participates in β ladder)trans-121137.7178.2-61.50000109.9M251 F261M251-V259 HydrophobicContact CE-CB 4.45Å; M251-V259 HydrophobicContact CE-CG1 3.68Å; V259-F261 HydrophobicContact CG2-CE2 4.01Å; V259-F261 HydrophobicContact CG2-CZ 4.12Å
260A90.1Very high89.5Confident7 Ų738.7 Ų38.76%0.05823%0.23CC..EExtended strand (participates in β ladder)trans-114.6148.3172.700000110.5I20 I252 L254I20-A260 HydrophobicContact CD1-CB 3.46Å; I20-A260 VanDerWaalsContact CD1-CB 3.46Å; I20-A260 HydrophobicContact CG1-CB 3.68Å; I252-A260 HydrophobicContact CB-CB 4.49Å; I252-A260 PolarHBondContact N-O 2.89Å; I252-A260 PolarHBondContact O-N 2.82Å; L254-A260 HydrophobicContact CD1-CB 3.96Å; L254-A260 HydrophobicContact CD2-CB 3.96Å; L254-A260 HydrophobicContact CG-CB 4.05Å
261F92.5Very high88Confident37 Ų3741.9 Ų41.916%0.16225%0.246CC..EExtended strand (participates in β ladder)trans-114.5134.1175.4-61-79000110.7Q249 Y250 M251 V259 P307 W309Q249-F261 HydrophobicContact CG-CB 4.28Å; Q249-F261 HydrophobicContact CG-CD1 4.24Å; Y250-F261 WeakPolarHBondContact O-CA 3.41Å; M251-F261 HydrophobicContact CB-CD1 4.2Å; M251-F261 HydrophobicContact CB-CE1 3.87Å; M251-F261 HydrophobicContact CG-CE1 3.91Å; M251-F261 HydrophobicContact CG-CZ 4.47Å; V259-F261 HydrophobicContact CG2-CE2 4.01Å; V259-F261 HydrophobicContact CG2-CZ 4.12Å; F261-P307 HydrophobicContact CD1-CG 4.31Å; F261-P307 HydrophobicContact CE1-CG 3.9Å; F261-P307 HydrophobicContact CE2-CG 4.16Å; F261-P307 HydrophobicContact CZ-CG 3.82Å; F261-W309 HydrophobicContact CE1-CZ2 4.09Å; F261-W309 AromaticContact CE1-NE1 3.91Å; F261-W309 AromaticContact CZ-NE1 3.84Å
262V95.6Very high86Confident0 Ų049.2 Ų49.20%028%0.281CS..EExtended strand (participates in β ladder)trans-121.9127.21721720000107.9I20 A23 V24 N52 A53 A229 Q249 Y250 I252 F264I20-V262 HydrophobicContact CG2-CG2 4.08Å; A23-V262 HydrophobicContact CB-CG1 4.39Å; A23-V262 HydrophobicContact CB-CG2 3.98Å; V24-V262 HydrophobicContact CG1-CB 4.49Å; V24-V262 HydrophobicContact CG1-CG1 3.33Å; V24-V262 HydrophobicContact CG1-CG2 4.44Å; N52-V262 WeakPolarHBondContact O-CA 3.28Å; A53-V262 HydrophobicContact CB-CG2 4.4Å; A229-V262 HydrophobicContact CB-CG1 4.41Å; Q249-V262 CarbonylContact C-O 3.51Å; Q249-V262 WeakPolarHBondContact CA-O 3.03Å; Y250-V262 PolarHBondContact N-O 3.21Å; Y250-V262 PolarHBondContact O-N 2.83Å; I252-V262 HydrophobicContact CD1-CB 4.43Å; I252-V262 HydrophobicContact CD1-CG2 3.81Å; V262-F264 HydrophobicContact CG1-CD2 4.06Å; V262-F264 HydrophobicContact CG1-CE2 3.49Å; V262-F264 VanDerWaalsContact CG1-CE2 3.49Å; V262-F264 HydrophobicContact CG1-CZ 4.32Å
263E95.4Very high84Confident19 Ų1953.4 Ų53.49%0.08931%0.306CS..EExtended strand (participates in β ladder)trans-119134.6-175.9-174.3169.5-124.800111.3G51 N52 R239 S247 I248 Q249 F265G51-E263 CarbonylContact C-O 3.49Å; G51-E263 WeakPolarHBondContact CA-O 3.25Å; N52-E263 PolarHBondContact N-O 2.89Å; N52-E263 PolarHBondContact O-N 2.93Å; R239-E263 IonicContact CZ-OE1 2.68Å; R239-E263 IonicContact NH2-OE1 3.3Å; R239-E263 PolarHBondContact NH2-OE1 2.88Å; S247-E263 PolarHBondContact OG-OE1 2.94Å; S247-E263 VanDerWaalsContact OG-OE1 3.07Å; I248-E263 CarbonylContact O-C 3.6Å; I248-E263 VanDerWaalsContact O-CA 3.31Å; I248-E263 WeakPolarHBondContact O-CA 3.34Å; Q249-E263 HydrophobicContact CG-CB 4.42Å; E263-F265 VanDerWaalsContact CD-CZ 3.42Å; E263-F265 HydrophobicContact CG-CE1 4.39Å; E263-F265 HydrophobicContact CG-CE2 4.11Å; E263-F265 HydrophobicContact CG-CZ 3.94Å; E263-F265 VanDerWaalsContact OE2-CZ 3.23Å; E263-F265 WeakPolarHBondContact OE2-CZ 3.37Å
264F96.2Very high82Confident0 Ų053 Ų530%030%0.304CS..EExtended strand (participates in β ladder)trans-116.3137.5173.1-71.7-99.6000110.5V24 F26 I49 Q50 G51 A225 A229 S247 I248 Y250 V262V24-F264 HydrophobicContact CG1-CZ 4.39Å; F26-F264 AromaticContact CD1-CE1 3.71Å; F26-F264 HydrophobicContact CD1-CE1 3.71Å; F26-F264 HydrophobicContact CD1-CZ 4.36Å; F26-F264 HydrophobicContact CE1-CD1 4.26Å; F26-F264 AromaticContact CE1-CE1 3.54Å; F26-F264 HydrophobicContact CE1-CE1 3.54Å; F26-F264 HydrophobicContact CE1-CZ 4.45Å; F26-F264 HydrophobicContact CZ-CE1 4.46Å; I49-F264 HydrophobicContact CD1-CD1 4.17Å; I49-F264 HydrophobicContact CG1-CD1 4.25Å; Q50-F264 CarbonylContact O-C 3.57Å; Q50-F264 WeakPolarHBondContact O-CA 3.3Å; G51-F264 VanDerWaalsContact CA-CD1 3.48Å; A225-F264 HydrophobicContact CB-CB 3.76Å; A225-F264 HydrophobicContact CB-CD1 3.54Å; A225-F264 HydrophobicContact CB-CD2 4.22Å; A225-F264 HydrophobicContact CB-CE1 4.12Å; A225-F264 HydrophobicContact CB-CG 3.58Å; A229-F264 HydrophobicContact CB-CE2 3.63Å; A229-F264 HydrophobicContact CB-CZ 4.27Å; S247-F264 CarbonylContact C-O 3.56Å; S247-F264 WeakPolarHBondContact CA-O 3.23Å; I248-F264 HydrophobicContact CB-CB 4.33Å; I248-F264 PolarHBondContact N-O 3.37Å; I248-F264 PolarHBondContact O-N 2.89Å; Y250-F264 AromaticContact CD2-CD2 3.86Å; Y250-F264 HydrophobicContact CD2-CD2 3.86Å; Y250-F264 HydrophobicContact CD2-CE2 4.01Å; Y250-F264 AromaticContact CE2-CD2 3.6Å; Y250-F264 HydrophobicContact CE2-CD2 3.6Å; Y250-F264 AromaticContact CE2-CE2 3.87Å; Y250-F264 HydrophobicContact CE2-CE2 3.87Å; V262-F264 HydrophobicContact CG1-CD2 4.06Å; V262-F264 HydrophobicContact CG1-CE2 3.49Å; V262-F264 VanDerWaalsContact CG1-CE2 3.49Å; V262-F264 HydrophobicContact CG1-CZ 4.32Å
265F94.8Very high79.9Confident19 Ų1959.3 Ų59.38%0.08333%0.333CS..EExtended strand (participates in β ladder)trans-109.6132.2167.8-61.9-74000109.4I49 Q50 F134 F136 L246 S247 E263I49-F265 VanDerWaalsContact CA-O 3.3Å; I49-F265 WeakPolarHBondContact CA-O 3.24Å; Q50-F265 PolarHBondContact N-O 3.1Å; Q50-F265 PolarHBondContact O-N 2.89Å; F134-F265 HydrophobicContact CB-CB 4.24Å; F134-F265 HydrophobicContact CB-CD1 4.27Å; F134-F265 HydrophobicContact CB-CG 4.13Å; F134-F265 HydrophobicContact CD1-CB 3.52Å; F134-F265 HydrophobicContact CD1-CG 4.31Å; F134-F265 HydrophobicContact CD2-CB 3.64Å; F134-F265 HydrophobicContact CD2-CD2 4.08Å; F134-F265 AromaticContact CD2-CG 3.99Å; F134-F265 HydrophobicContact CD2-CG 3.99Å; F134-F265 HydrophobicContact CE1-CB 3.56Å; F134-F265 HydrophobicContact CE2-CB 3.75Å; F134-F265 HydrophobicContact CE2-CG 4.49Å; F134-F265 HydrophobicContact CG-CB 3.52Å; F134-F265 HydrophobicContact CG-CD1 4.44Å; F134-F265 HydrophobicContact CG-CD2 4.39Å; F134-F265 AromaticContact CG-CG 3.88Å; F134-F265 HydrophobicContact CG-CG 3.88Å; F134-F265 HydrophobicContact CZ-CB 3.67Å; F136-F265 HydrophobicContact CB-CD1 4.24Å; F136-F265 HydrophobicContact CB-CE1 3.73Å; F136-F265 HydrophobicContact CD2-CD1 4.15Å; F136-F265 HydrophobicContact CD2-CE1 4.22Å; F136-F265 HydrophobicContact CG-CD1 4.36Å; F136-F265 AromaticContact CG-CE1 3.98Å; F136-F265 HydrophobicContact CG-CE1 3.98Å; L246-F265 CarbonylContact O-C 3.59Å; L246-F265 WeakPolarHBondContact O-CA 3.37Å; S247-F265 VanDerWaalsContact OG-CE1 3.3Å; S247-F265 WeakPolarHBondContact OG-CE1 3.44Å; E263-F265 VanDerWaalsContact CD-CZ 3.42Å; E263-F265 HydrophobicContact CG-CE1 4.39Å; E263-F265 HydrophobicContact CG-CE2 4.11Å; E263-F265 HydrophobicContact CG-CZ 3.94Å; E263-F265 VanDerWaalsContact OE2-CZ 3.23Å; E263-F265 WeakPolarHBondContact OE2-CZ 3.37Å
266C94.7Very high78Confident5 Ų559.9 Ų59.93%0.03434%0.337CS..EExtended strand (participates in β ladder)trans-124.3127.7179.6-55.20000109.5C48 F217 L222 L246C48-C266 WeakPolarHBondContact O-CA 3.29Å; F217-C266 HydrophobicContact CD1-CB 4.01Å; F217-C266 HydrophobicContact CE1-CB 4.2Å; L222-C266 HydrophobicContact CD1-CB 4.16Å; L222-C266 VanDerWaalsContact CD1-SG 3.57Å; L246-C266 HydrophobicContact CB-CB 4.23Å; L246-C266 PolarHBondContact N-O 3.39Å; L246-C266 PolarHBondContact O-N 3.48Å
267V93.1Very high76Confident40 Ų4063.7 Ų63.724%0.24235%0.352CS..  trans-79134.5174.4-1720000108.8C48 F134 F217 F245C48-V267 WeakPolarHBondContact O-CG2 3.34Å; C48-V267 PolarHBondContact O-N 3.02Å; F134-V267 HydrophobicContact CD1-CG2 4.31Å; F134-V267 HydrophobicContact CE1-CG2 3.5Å; F134-V267 HydrophobicContact CZ-CG2 4.26Å; F217-V267 WeakPolarHBondContact CD1-O 3.42Å; F245-V267 HydrophobicContact CD1-CG2 4.31Å; F245-V267 HydrophobicContact CE1-CB 4.24Å; F245-V267 HydrophobicContact CE1-CG1 4.03Å; F245-V267 HydrophobicContact CE1-CG2 3.86Å; F245-V267 HydrophobicContact CZ-CG1 4.46Å
268P93.4Very high73.9Confident18 Ų1865.2 Ų65.212%0.11735%0.353CS..  trans-65144.2172.628.4-34.2000110.7R216 F217 V270R216-P268 CarbonylContact O-C 3.52Å; R216-P268 WeakPolarHBondContact O-CA 3.33Å; F217-P268 HydrophobicContact CE1-CB 4.18Å; P268-V270 HydrophobicContact CB-CG2 4.38Å; P268-V270 HydrophobicContact CG-CG2 4.16Å; P268-V270 PolarHBondContact O-N 3.3Å
269D90.9Very high71.3Confident39 Ų3968.3 Ų68.321%0.20937%0.367CS..  trans-80.2103.7167.3-149.720.8000107.1R216 R218R216-D269 PolarHBondContact O-N 3.42Å; R218-D269 HydrophobicContact CG-CB 4.17Å; R218-D269 WeakPolarHBondContact CG-OD2 3.33Å; R218-D269 IonicContact CZ-OD1 3.09Å; R218-D269 IonicContact NE-OD1 2.96Å; R218-D269 PolarHBondContact NE-OD1 2.7Å; R218-D269 VanDerWaalsContact NE-OD1 3.09Å; R218-D269 IonicContact NE-OD2 3.1Å; R218-D269 PolarHBondContact NE-OD2 3.15Å; R218-D269 IonicContact NH2-OD1 3.23Å; R218-D269 PolarHBondContact NH2-OD1 2.85Å
270V81.1Confident68.5Low85 Ų8569.4 Ų69.452%0.51538%0.383SS..  trans-96.4116.7178.6-173.40000107.2P268 E272P268-V270 HydrophobicContact CB-CG2 4.38Å; P268-V270 HydrophobicContact CG-CG2 4.16Å; P268-V270 PolarHBondContact O-N 3.3Å; V270-E272 PolarHBondContact O-N 3.23Å
271D65.5Low65.6Low66 Ų6674 Ų7435%0.35342%0.415SS..  trans-67.5128.7170-68.3-44.5000108.7T273 D274D271-T273 WeakPolarHBondContact CB-OG1 3.36Å; D271-T273 PolarHBondContact O-N 2.87Å; D271-D274 PolarHBondContact O-N 3.49Å; D271-D274 VanDerWaalsContact O-N 3.13Å
272E53.4Low62.7Low181 Ų18179.4 Ų79.485%0.84645%0.451SS*.G310 helixtrans-56.7-20.8178.2-68.9-173.8162.800112.5V270 D274V270-E272 PolarHBondContact O-N 3.23Å; E272-D274 PolarHBondContact O-N 2.91Å
273T48.9Very low59.4Low92 Ų9287 Ų8756%0.56449%0.492SS*.G310 helixtrans-67.4-29.6178.537.20000114.2D271 Q275 S276D271-T273 WeakPolarHBondContact CB-OG1 3.36Å; D271-T273 PolarHBondContact O-N 2.87Å; T273-Q275 VanDerWaalsContact C-N 3.26Å; T273-Q275 PolarHBondContact O-N 2.97Å; T273-S276 PolarHBondContact O-N 3.46Å; T273-S276 PolarHBondContact O-OG 3.17Å
274D47.7Very low56.3Low88 Ų8891.6 Ų91.647%0.47153%0.526SS..G310 helixtrans-71.4-19.6-176.1-74.5-10.4000113D271 E272 S276D271-D274 PolarHBondContact O-N 3.49Å; D271-D274 VanDerWaalsContact O-N 3.13Å; E272-D274 PolarHBondContact O-N 2.91Å; D274-S276 VanDerWaalsContact C-N 3.32Å
275Q41.9Very low53.3Low145 Ų14596.9 Ų96.968%0.67856%0.56SS**G310 helixtrans-77.8-17.1173.2-66.7-175.72700113T273T273-Q275 VanDerWaalsContact C-N 3.26Å; T273-Q275 PolarHBondContact O-N 2.97Å
276S36Very low49.9Very low84 Ų84104.8 Ų104.859%0.58760%0.597SS**THydrogen-bonded Turntrans-86.1-20.7-17769.80000114.1T273 D274T273-S276 PolarHBondContact O-N 3.46Å; T273-S276 PolarHBondContact O-OG 3.17Å; D274-S276 VanDerWaalsContact C-N 3.32Å
277E32.9Very low46.7Very low168 Ų168114.5 Ų114.579%0.78564%0.639SS**SBendtrans-90.3-12.8-178.5-66.8-166.5161.700114.4
278S35.4Very low43.4Very low98 Ų98118 Ų11869%0.68567%0.665SS**SBendtrans-931.7179480000114.9
279Q29.5Very low40.2Very low178 Ų178122 Ų12283%0.83269%0.693SS**  trans-125.451173.3-67.5-171.414.400112.8
280A28.9Very low37.2Very low89 Ų89129.7 Ų129.774%0.73673%0.725SS**  trans-109.358.8164.100000110.8
281S30.5Very low34.6Very low103 Ų103133.6 Ų133.672%0.7274%0.741SS**SBendtrans-166125.6156.431.90000112.4
282T31.8Very low32.8Very low151 Ų151134.4 Ų134.493%0.92675%0.752SS**  trans90.7124173.467.60000118.6
283N25.7Very low31.4Very low159 Ų159134.9 Ų134.985%0.8575%0.754SS**  trans-83.9153.1-166.4-85.3-35000114.7
284S30Very low30.4Very low115 Ų115139.5 Ų139.580%0.80477%0.766SS**  trans93155.2146.185.30000118.5
285P33.7Very low29.3Very low111 Ų111139.4 Ų139.472%0.72178%0.778SS**  -127.4165-98.334.6-15.9000116.5
286Q23.4Very low28.6Very low185 Ų185136.6 Ų136.686%0.86478%0.775SS**  trans68.4110.7155.2-75.8179.1-19.600119.8
287K27Very low28.1Very low210 Ų210139.2 Ų139.291%0.91379%0.787SS**  -164.2131109.3-105.1169.7-175.1178.10111.2
288S24.2Very low28Very low113 Ų113134.9 Ų134.979%0.7978%0.776SS**  trans-73.3144.9170.178.20000109.5
289S26.7Very low27.5Very low101 Ų101139.2 Ų139.271%0.70678%0.782SS**  158.4125.8120.162.40000112.9
290K25.9Very low27.5Very low201 Ų201134 Ų13487%0.87476%0.764SS**  trans69.6108.9140.9-65.3179.2179.3-177.40119S292K290-S292 PolarHBondContact O-N 3.14Å
291I28.2Very low27.5Very low168 Ų168134.2 Ų134.286%0.86276%0.758SS**  trans-54.7111.5158.8-62.5167.5000108.1H293I291-H293 PolarHBondContact O-N 2.89Å
292S27.3Very low27.6Very low83 Ų83132.2 Ų132.258%0.5875%0.748SS**  trans-75.6119.4174.952.50000109.7K290 F294K290-S292 PolarHBondContact O-N 3.14Å; S292-F294 PolarHBondContact O-N 2.73Å
293H24.4Very low27.5Very low191 Ų191132.2 Ų132.288%0.88474%0.743SS**  trans-59.6102.5160.9-74.5-85000108.9I291 A295I291-H293 PolarHBondContact O-N 2.89Å; H293-A295 PolarHBondContact O-N 3.34Å
294F27.7Very low28.1Very low188 Ų188127.6 Ų127.683%0.82572%0.72SS**  trans-87.393.6161.2-99.4-88.4000107.7S292 S296S292-F294 PolarHBondContact O-N 2.73Å; F294-S296 PolarHBondContact O-N 2.83Å
295A23.6Very low28.7Very low87 Ų87125 Ų12572%0.71970%0.696SS**  trans-73.599159.500000106.9H293H293-A295 PolarHBondContact O-N 3.34Å
296S27.2Very low28.8Very low86 Ų86127.2 Ų127.260%0.60170%0.702SS**  trans-97.9118.5167-177.20000107.8F294 S298F294-S296 PolarHBondContact O-N 2.83Å; S296-S298 VanDerWaalsContact C-N 3.31Å; S296-S298 PolarHBondContact O-N 2.81Å
297T25.1Very low29.4Very low138 Ų138119.6 Ų119.685%0.84767%0.669SS**  trans-61.393.8165.745.40000108.5K299T297-K299 PolarHBondContact O-N 2.85Å
298S30.7Very low30.1Very low78 Ų78114.6 Ų114.655%0.54565%0.652SS.*  trans-72.4112.217949.30000109.8S296 C300S296-S298 VanDerWaalsContact C-N 3.31Å; S296-S298 PolarHBondContact O-N 2.81Å; S298-C300 PolarHBondContact O-N 3.29Å
299K26.4Very low31Very low188 Ų188113.7 Ų113.782%0.81763%0.631SS**  trans-65.5122.8156.3-77-179.4175.51800106.5T297 P301T297-K299 PolarHBondContact O-N 2.85Å; K299-P301 WeakPolarHBondContact O-CD 3.43Å; K299-P301 VanDerWaalsContact O-N 3.08Å
300C29.2Very low31.3Very low69 Ų69113.2 Ų113.247%0.46663%0.628SS.*  trans-53.1114.4171.4-66.30000109.5S298 A302S298-C300 PolarHBondContact O-N 3.29Å; C300-A302 PolarHBondContact O-N 3.02Å
301P28.3Very low31.6Very low93 Ų93115 Ų11560%0.60465%0.647SS**  trans-74.2116.2171.84.510.3000107.5K299 N303K299-P301 WeakPolarHBondContact O-CD 3.43Å; K299-P301 VanDerWaalsContact O-N 3.08Å; P301-N303 PolarHBondContact O-N 2.83Å
302A33.8Very low31.8Very low62 Ų62112.3 Ų112.351%0.51264%0.636SS.*THydrogen-bonded Turntrans-62.8-2.8176.400000114.2N37 C300N37-A302 WeakPolarHBondContact ND2-CB 3.38Å; C300-A302 PolarHBondContact O-N 3.02Å
303N28.6Very low32Very low151 Ų151113.8 Ų113.881%0.80764%0.639SS**THydrogen-bonded Turntrans-104.719.5-169.8-72.68.7000114.9P301P301-N303 PolarHBondContact O-N 2.83Å
304T37.8Very low32.4Very low61 Ų61109.6 Ų109.637%0.37463%0.626SS.*SBendtrans-99.36.1-177.6-36.40000113.9
305I43.5Very low32.7Very low60 Ų60104.9 Ų104.931%0.30861%0.614SS.*SBendtrans-111.8-2-176.4-64.8131.5000114F54 P307F54-I305 HydrophobicContact CB-CD1 3.62Å; F54-I305 HydrophobicContact CB-CG1 3.94Å; F54-I305 HydrophobicContact CD1-CB 4.41Å; F54-I305 HydrophobicContact CD1-CD1 3.42Å; F54-I305 VanDerWaalsContact CD1-CD1 3.42Å; F54-I305 HydrophobicContact CD1-CG1 4.11Å; F54-I305 HydrophobicContact CD1-CG2 3.97Å; F54-I305 HydrophobicContact CD2-CD1 3.58Å; F54-I305 HydrophobicContact CE1-CD1 3.85Å; F54-I305 HydrophobicContact CE2-CD1 4.03Å; F54-I305 HydrophobicContact CG-CD1 3.23Å; F54-I305 HydrophobicContact CG-CG1 4.03Å; F54-I305 HydrophobicContact CZ-CD1 4.13Å; I305-P307 VanDerWaalsContact C-CD 3.48Å; I305-P307 WeakPolarHBondContact O-CD 3.49Å
306D35.6Very low33.3Very low159 Ų159106.1 Ų106.185%0.8561%0.607SS**  trans-9199.6167-90.5-32.4000109.8D308D306-D308 PolarHBondContact O-N 2.96Å
307P35.4Very low33.7Very low25 Ų25107.4 Ų107.416%0.16261%0.608CS.*  trans-58.4127.6162.420.3-30.6000110.1F261 I305 W309F261-P307 HydrophobicContact CD1-CG 4.31Å; F261-P307 HydrophobicContact CE1-CG 3.9Å; F261-P307 HydrophobicContact CE2-CG 4.16Å; F261-P307 HydrophobicContact CZ-CG 3.82Å; I305-P307 VanDerWaalsContact C-CD 3.48Å; I305-P307 WeakPolarHBondContact O-CD 3.49Å; P307-W309 VanDerWaalsContact C-N 3.29Å; P307-W309 HydrophobicContact CB-CG 4.38Å; P307-W309 VanDerWaalsContact CG-CD1 3.4Å; P307-W309 PolarHBondContact O-N 2.92Å
308D42.2Very low34.3Very low104 Ų104105.2 Ų105.256%0.55659%0.591SS**  trans-69.290.6167.8-1693000109K144 D306 S310K144-D308 PolarHBondContact NZ-O 3Å; D306-D308 PolarHBondContact O-N 2.96Å; D308-S310 VanDerWaalsContact C-N 3.35Å; D308-S310 PolarHBondContact OD1-N 3.29Å; D308-S310 PolarHBondContact OD1-OG 3.11Å
309W43.5Very low34.6Very low94 Ų94107.3 Ų107.336%0.35659%0.594SS.*  trans-9310.5171-65.2102.2000111.9I146 R235 F261 P307 D311I146-W309 HydrophobicContact CD1-CE3 3.97Å; I146-W309 HydrophobicContact CD1-CH2 4.26Å; I146-W309 HydrophobicContact CD1-CZ3 3.78Å; I146-W309 HydrophobicContact CG2-CE3 4.49Å; I146-W309 HydrophobicContact CG2-CH2 3.85Å; I146-W309 HydrophobicContact CG2-CZ3 3.47Å; I146-W309 VanDerWaalsContact CG2-CZ3 3.47Å; R235-W309 HydrophobicContact CB-CH2 4.25Å; F261-W309 HydrophobicContact CE1-CZ2 4.09Å; F261-W309 AromaticContact CE1-NE1 3.91Å; F261-W309 AromaticContact CZ-NE1 3.84Å; P307-W309 VanDerWaalsContact C-N 3.29Å; P307-W309 HydrophobicContact CB-CG 4.38Å; P307-W309 VanDerWaalsContact CG-CD1 3.4Å; P307-W309 PolarHBondContact O-N 2.92Å; W309-D311 PolarHBondContact O-N 3.43Å
310S32.4Very low35.3Very low92 Ų92100.6 Ų100.664%0.64358%0.576SS**  trans-69.3123.2175.461.30000109.6D308D308-S310 VanDerWaalsContact C-N 3.35Å; D308-S310 PolarHBondContact OD1-N 3.29Å; D308-S310 PolarHBondContact OD1-OG 3.11Å
311D33.3Very low35.8Very low237 Ų237103.5 Ų103.5100%1.26759%0.586SS**  trans-54.40175.7-70.5-41000112.7W309W309-D311 PolarHBondContact O-N 3.43Å

Retrieved 311 of 311 residues in 460.9 ms (Link to these results)

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