A0A2K5XS49_MANLE Loading...

TRAF-interacting protein with FHA domain-containing protein A

AlphaFold DB , UniProt , Accession A0A2K5XS49, Species MANLE (Mandrillus leucophaeus, Drill), Gene TIFA, Length 185 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
1M44.1Very low62.5Low246 Ų246149.5 Ų149.5100%1.21281%0.807SS**  0108.20-73.7177.4167.500106.3S3M1-S3 PolarHBondContact O-N 3.48Å
2S49.5Very low65.2Low110 Ų110143 Ų14377%0.76978%0.777SS**  trans-72.1121.2176.2-167.80000107.3F4S2-F4 PolarHBondContact O-N 3.43Å
3S58.5Low67.6Low98 Ų98133.8 Ų133.869%0.68573%0.728SS**  trans-60.5125.1167.951.80000107.4M1 E5M1-S3 PolarHBondContact O-N 3.48Å; S3-E5 PolarHBondContact O-N 3.35Å; S3-E5 VanDerWaalsContact O-N 3.14Å
4F60.5Low69.7Low203 Ų203124.2 Ų124.289%0.8968%0.676SS**  trans-64.4111.2161.3-71.7-92.2000105.4S2 D6S2-F4 PolarHBondContact O-N 3.43Å; F4-D6 PolarHBondContact O-N 2.65Å
5E58.5Low71.6Confident178 Ų178116 Ų11683%0.83263%0.631SS**  trans-58.6118.3164.7-69.5173.4135.300106S3 A7S3-E5 PolarHBondContact O-N 3.35Å; S3-E5 VanDerWaalsContact O-N 3.14Å; E5-A7 PolarHBondContact O-N 2.92Å
6D59.4Low73.3Confident158 Ų158108.9 Ų108.985%0.84559%0.593SS**  trans-57104.3167.9-85.4-37.2000106.2F4 D8F4-D6 PolarHBondContact O-N 2.65Å; D6-D8 PolarHBondContact O-N 2.72Å
7A60.8Low74.7Confident82 Ų82104.7 Ų104.768%0.67857%0.568SS**  trans-62.8121.4169.600000106.6E5 T9E5-A7 PolarHBondContact O-N 2.92Å; A7-T9 VanDerWaalsContact C-N 3.3Å; A7-T9 PolarHBondContact O-N 3.38Å
8D60.8Low76.1Confident169 Ų16998.9 Ų98.990%0.90454%0.536SS*.  trans-55.894.1172.7-73.4-40.7000108.8D6 E10D6-D8 PolarHBondContact O-N 2.72Å; D8-E10 PolarHBondContact O-N 3.23Å; D8-E10 VanDerWaalsContact O-N 3.17Å
9T70.5Confident77.2Confident132 Ų13294.6 Ų94.681%0.8151%0.514SS*.  trans-74.6105.6173.449.10000107.3A7 E11A7-T9 VanDerWaalsContact C-N 3.3Å; A7-T9 PolarHBondContact O-N 3.38Å; T9-E11 PolarHBondContact O-N 3.05Å
10E78.4Confident78.2Confident170 Ų17090 Ų9079%0.79449%0.488SS*.PPolyproline II helixtrans-59.8123.3172.9-172.8176.1-176.700109.4D8 T12D8-E10 PolarHBondContact O-N 3.23Å; D8-E10 VanDerWaalsContact O-N 3.17Å; E10-T12 PolarHBondContact O-N 2.85Å
11E86.1Confident79.1Confident98 Ų9887.6 Ų87.646%0.45847%0.473SS..PPolyproline II helixtrans-61.3132.6178.1-173.5-176.4-147.800110.3T9 E133 S134T9-E11 PolarHBondContact O-N 3.05Å; E11-E133 HydrophobicContact CG-CB 3.45Å; E11-E133 VanDerWaalsContact CG-CB 3.45Å; E11-E133 VanDerWaalsContact OE1-C 3.25Å; E11-S134 VanDerWaalsContact OE1-CA 3.31Å; E11-S134 WeakPolarHBondContact OE1-CA 3.13Å; E11-S134 PolarHBondContact OE1-N 2.83Å; E11-S134 VanDerWaalsContact OE2-CA 3.31Å; E11-S134 WeakPolarHBondContact OE2-CA 3.25Å; E11-S134 WeakPolarHBondContact OE2-CB 3.34Å; E11-S134 PolarHBondContact OE2-OG 3.26Å
12T94.8Very high81.6Confident72 Ų7276.9 Ų76.944%0.44242%0.42SS..PPolyproline II helixtrans-68145.2177.356.20000111.4E10 G132 E133 S134E10-T12 PolarHBondContact O-N 2.85Å; T12-G132 CarbonylContact O-C 3.58Å; T12-E133 PolarHBondContact N-OE2 2.76Å; T12-E133 PolarHBondContact O-N 3.1Å; T12-E133 VanDerWaalsContact OG1-CD 3.29Å; T12-E133 WeakPolarHBondContact OG1-CG 3.37Å; T12-E133 PolarHBondContact OG1-N 3.41Å; T12-E133 PolarHBondContact OG1-OE2 3.05Å; T12-S134 PolarHBondContact O-N 2.92Å
13V96.6Very high83.7Confident23 Ų2375 Ų7514%0.13941%0.405CS..EExtended strand (participates in β ladder)trans-113133.9-175.7179.50000110.1C15 F137 F138 E139V13-C15 PolarHBondContact O-N 2.81Å; V13-F137 HydrophobicContact CG1-CB 4.22Å; V13-F138 VanDerWaalsContact CG1-CA 3.46Å; V13-E139 HydrophobicContact CB-CG 4.41Å; V13-E139 HydrophobicContact CG1-CG 3.81Å
14T97.5Very high85.2Confident0 Ų071 Ų710%038%0.379CS..EExtended strand (participates in β ladder)trans-61.2126.4177-62.80000109.6L84 F86 K129 E130 G132 F138 E139T14-L84 HydrophobicContact CG2-CB 4.3Å; T14-F86 HydrophobicContact CG2-CE2 4.01Å; T14-F86 HydrophobicContact CG2-CZ 4.42Å; T14-K129 HydrophobicContact CG2-CD 4.42Å; T14-K129 HydrophobicContact CG2-CG 4.12Å; T14-E130 CarbonylContact C-O 3.58Å; T14-E130 WeakPolarHBondContact CA-O 3.49Å; T14-E130 WeakPolarHBondContact CG2-O 3.44Å; T14-G132 PolarHBondContact OG1-N 3.06Å; T14-G132 PolarHBondContact OG1-O 2.84Å; T14-F138 CarbonylContact O-C 3.54Å; T14-F138 WeakPolarHBondContact O-CA 3.35Å; T14-F138 WeakPolarHBondContact O-CB 3.34Å; T14-E139 PolarHBondContact O-N 2.84Å
15C97.9Very high86.3Confident1 Ų162.4 Ų62.41%0.00734%0.342CS..EExtended strand (participates in β ladder)trans-114.2133.7-179.9-175.60000111.1V13 K129 E130 E139V13-C15 PolarHBondContact O-N 2.81Å; C15-K129 WeakPolarHBondContact O-CA 3.49Å; C15-E130 HydrophobicContact CB-CB 4.25Å; C15-E130 PolarHBondContact N-O 2.84Å; C15-E130 PolarHBondContact O-N 2.99Å; C15-E139 WeakPolarHBondContact CA-O 3.42Å; C15-E139 HydrophobicContact CB-CB 4.14Å
16L98.4Very high87.4Confident3 Ų361.5 Ų61.52%0.01634%0.342CS..EExtended strand (participates in β ladder)trans-103.6102.5167.5-173.868000109.7M18 L73 F86 M127 E139 T140 Q141L16-M18 HydrophobicContact CD2-CG 4.31Å; L16-M18 HydrophobicContact CD2-SD 4.2Å; L16-M18 HydrophobicContact CG-CG 4.15Å; L16-L73 HydrophobicContact CD2-CD1 3.44Å; L16-L73 VanDerWaalsContact CD2-CD1 3.44Å; L16-F86 HydrophobicContact CB-CE1 4.2Å; L16-F86 HydrophobicContact CB-CE2 4.08Å; L16-F86 HydrophobicContact CB-CZ 3.74Å; L16-F86 HydrophobicContact CD1-CD2 4.38Å; L16-F86 HydrophobicContact CD1-CE2 4.36Å; L16-F86 HydrophobicContact CD2-CD1 4.14Å; L16-F86 HydrophobicContact CD2-CE1 4.06Å; L16-F86 HydrophobicContact CD2-CG 4.48Å; L16-F86 HydrophobicContact CD2-CZ 4.36Å; L16-M127 HydrophobicContact CD1-CB 4.27Å; L16-E139 PolarHBondContact N-O 3.04Å; L16-T140 WeakPolarHBondContact O-CA 3.49Å; L16-Q141 PolarHBondContact O-N 3.05Å
17Q98.4Very high88.2Confident37 Ų3762.3 Ų62.317%0.17334%0.34CS..EExtended strand (participates in β ladder)trans-79.6129.7170.6-176.5174-86.600109.7M127 E128 I143Q17-M127 WeakPolarHBondContact O-CA 3.12Å; Q17-E128 HydrophobicContact CB-CB 4.38Å; Q17-E128 PolarHBondContact N-O 2.84Å; Q17-E128 PolarHBondContact NE2-OE2 3.31Å; Q17-E128 PolarHBondContact O-N 2.93Å; Q17-I143 VanDerWaalsContact CD-CD1 3.42Å; Q17-I143 HydrophobicContact CG-CD1 3.82Å; Q17-I143 HydrophobicContact CG-CG1 4.4Å
18M98.4Very high88.9Confident0 Ų062.5 Ų62.50%034%0.336CS..EExtended strand (participates in β ladder)trans-124.2102.1180-67.9175.3-80.600109.1L16 V20 F50 L126 M127 T140 Q141 F142 I143L16-M18 HydrophobicContact CD2-CG 4.31Å; L16-M18 HydrophobicContact CD2-SD 4.2Å; L16-M18 HydrophobicContact CG-CG 4.15Å; M18-V20 HydrophobicContact CB-CG1 4.44Å; M18-F50 HydrophobicContact CE-CZ 4.33Å; M18-F50 HydrophobicContact SD-CE1 3.91Å; M18-F50 HydrophobicContact SD-CZ 3.77Å; M18-L126 WeakPolarHBondContact CA-O 3.4Å; M18-M127 HydrophobicContact CG-CG 4.19Å; M18-M127 HydrophobicContact SD-CE 4.36Å; M18-T140 HydrophobicContact CE-CG2 4.03Å; M18-Q141 PolarHBondContact N-O 2.78Å; M18-F142 HydrophobicContact CB-CD1 4.01Å; M18-F142 HydrophobicContact CB-CE1 4.05Å; M18-F142 HydrophobicContact CE-CD1 4.43Å; M18-F142 HydrophobicContact CE-CD2 4.15Å; M18-F142 HydrophobicContact CE-CE1 3.8Å; M18-F142 HydrophobicContact CE-CE2 3.45Å; M18-F142 VanDerWaalsContact CE-CE2 3.45Å; M18-F142 HydrophobicContact CE-CZ 3.27Å; M18-F142 WeakPolarHBondContact O-CA 3.36Å; M18-F142 HydrophobicContact SD-CE1 3.89Å; M18-F142 HydrophobicContact SD-CZ 3.82Å; M18-I143 PolarHBondContact O-N 2.89Å
19T98.3Very high89.9Confident18 Ų1855.8 Ų55.811%0.1131%0.306CS..EExtended strand (participates in β ladder)trans-86.2120.4170.7-56.90000108.4F125 L126 I143 L149T19-F125 CarbonylContact O-C 3.52Å; T19-F125 WeakPolarHBondContact O-CA 3.36Å; T19-L126 PolarHBondContact N-O 2.57Å; T19-L126 PolarHBondContact O-N 2.75Å; T19-I143 CarbonylContact C-O 3.54Å; T19-I143 VanDerWaalsContact CA-O 3.3Å; T19-I143 WeakPolarHBondContact CA-O 3.44Å; T19-I143 HydrophobicContact CG2-CB 4.35Å; T19-I143 HydrophobicContact CG2-CG2 4.26Å; T19-L149 HydrophobicContact CG2-CD2 3.87Å; T19-L149 VanDerWaalsContact O-CD1 3.23Å; T19-L149 WeakPolarHBondContact O-CD1 3.46Å
20V97.4Very high90.9Very high1 Ų149.7 Ų49.71%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-117145.3-171.3-54.40000111.7M18 F31 F36 Q124 F125 F142 I143 L144 S145M18-V20 HydrophobicContact CB-CG1 4.44Å; V20-F31 HydrophobicContact CB-CE1 4.44Å; V20-F31 HydrophobicContact CB-CZ 4.12Å; V20-F31 HydrophobicContact CG2-CD2 4.34Å; V20-F31 HydrophobicContact CG2-CE1 4.21Å; V20-F31 HydrophobicContact CG2-CE2 4.02Å; V20-F31 HydrophobicContact CG2-CZ 3.95Å; V20-F36 HydrophobicContact CG2-CE1 3.66Å; V20-F36 HydrophobicContact CG2-CZ 4.1Å; V20-Q124 WeakPolarHBondContact CA-O 3.36Å; V20-F125 HydrophobicContact CB-CD1 4.42Å; V20-F125 HydrophobicContact CB-CE1 4.32Å; V20-F125 HydrophobicContact CG1-CD1 3.35Å; V20-F125 HydrophobicContact CG1-CE1 3.34Å; V20-F125 HydrophobicContact CG1-CG 4.07Å; V20-F125 HydrophobicContact CG1-CZ 4.06Å; V20-F142 HydrophobicContact CG1-CD1 3.95Å; V20-F142 HydrophobicContact CG1-CE1 4.31Å; V20-I143 PolarHBondContact N-O 2.63Å; V20-L144 HydrophobicContact CG2-CD1 4.15Å; V20-S145 PolarHBondContact O-N 3.2Å
21Y96.9Very high91.6Very high41 Ų4142.2 Ų42.216%0.16123%0.234CC..EExtended strand (participates in β ladder)trans-141.7145.6174171.8-96.3000110.5Q124 R147Y21-Q124 HydrophobicContact CD1-CB 4.45Å; Y21-Q124 HydrophobicContact CD1-CG 4.24Å; Y21-Q124 PolarHBondContact N-O 2.93Å; Y21-Q124 PolarHBondContact O-N 2.94Å; Y21-R147 WeakPolarHBondContact CD2-O 3.25Å; Y21-R147 VanDerWaalsContact CE2-C 3.41Å
22H96Very high91.8Very high21 Ų2145.3 Ų45.310%0.09725%0.248CC..  trans-151.1140.8162.9179.3-72000109.9G24 Q25 M30 F31 Y123H22-G24 VanDerWaalsContact C-N 3.29Å; H22-G24 PolarHBondContact ND1-N 3.13Å; H22-G24 PolarHBondContact O-N 3.17Å; H22-Q25 HydrophobicContact CB-CB 4.47Å; H22-Q25 VanDerWaalsContact N-OE1 3.08Å; H22-Q25 WeakPolarHBondContact O-CB 3.38Å; H22-Q25 WeakPolarHBondContact O-CG 3.36Å; H22-Q25 PolarHBondContact O-N 3.24Å; H22-Q25 PolarHBondContact O-OE1 3.26Å; H22-M30 HydrophobicContact CB-SD 3.31Å; H22-M30 WeakPolarHBondContact CB-SD 3.4Å; H22-M30 VanDerWaalsContact CE1-CE 3.44Å; H22-M30 WeakPolarHBondContact CE1-CE 3.4Å; H22-M30 WeakPolarHBondContact ND1-CE 3.48Å; H22-M30 PolarHBondContact ND1-SD 3.46Å; H22-F31 HydrophobicContact CB-CE2 4.11Å; H22-F31 HydrophobicContact CB-CZ 3.99Å; H22-Y123 HydrophobicContact CB-CD1 4.33Å; H22-Y123 HydrophobicContact CB-CE1 4.47Å; H22-Y123 AromaticContact CD2-CD1 3.9Å; H22-Y123 AromaticContact CD2-CD2 3.57Å; H22-Y123 AromaticContact CD2-CE1 3.85Å; H22-Y123 AromaticContact CD2-CE2 3.49Å; H22-Y123 VanDerWaalsContact CD2-CE2 3.49Å; H22-Y123 WeakPolarHBondContact CD2-CE2 3.48Å; H22-Y123 AromaticContact CD2-CG 3.75Å; H22-Y123 AromaticContact CD2-CZ 3.63Å; H22-Y123 AromaticContact NE2-CE2 3.76Å
23P93.3Very high91.6Very high69 Ų6944.6 Ų44.645%0.44825%0.246SC..THydrogen-bonded Turntrans-57.6-37.6-174.720.3-33000113.9Q25 E122P23-Q25 PolarHBondContact O-N 3.02Å; P23-E122 WeakPolarHBondContact CD-O 3.42Å; P23-E122 HydrophobicContact CG-CB 3.96Å; P23-E122 HydrophobicContact CG-CG 4.42Å
24G89.5Confident91.4Very high15 Ų1544 Ų4416%0.15524%0.242CC..THydrogen-bonded Turntrans-848.2176.800000116.5H22 L26 Q27 C28 M30H22-G24 VanDerWaalsContact C-N 3.29Å; H22-G24 PolarHBondContact ND1-N 3.13Å; H22-G24 PolarHBondContact O-N 3.17Å; G24-L26 VanDerWaalsContact C-N 3.25Å; G24-L26 PolarHBondContact O-N 3.29Å; G24-L26 VanDerWaalsContact O-N 3.16Å; G24-Q27 PolarHBondContact O-N 3.33Å; G24-C28 PolarHBondContact O-N 3.37Å; G24-C28 VanDerWaalsContact O-N 3.07Å; G24-M30 WeakPolarHBondContact O-CE 3.37Å
25Q84.8Confident91.2Very high23 Ų2353.8 Ų53.811%0.10728%0.279CS..THydrogen-bonded Turntrans-59.9-29.9-168.167.5-169.412.300114.7H22 P23 M30 F31 S145H22-Q25 HydrophobicContact CB-CB 4.47Å; H22-Q25 VanDerWaalsContact N-OE1 3.08Å; H22-Q25 WeakPolarHBondContact O-CB 3.38Å; H22-Q25 WeakPolarHBondContact O-CG 3.36Å; H22-Q25 PolarHBondContact O-N 3.24Å; H22-Q25 PolarHBondContact O-OE1 3.26Å; P23-Q25 PolarHBondContact O-N 3.02Å; Q25-M30 HydrophobicContact CB-CG 4.46Å; Q25-M30 HydrophobicContact CB-SD 4.04Å; Q25-F31 HydrophobicContact CB-CD2 3.99Å; Q25-F31 HydrophobicContact CB-CE2 3.88Å; Q25-S145 PolarHBondContact NE2-O 2.99Å
26L80.7Confident91Very high159 Ų15955.7 Ų55.783%0.83229%0.287SS*.THydrogen-bonded Turntrans-81.3-23.7178.6-65.1175.8000113.6G24G24-L26 VanDerWaalsContact C-N 3.25Å; G24-L26 PolarHBondContact O-N 3.29Å; G24-L26 VanDerWaalsContact O-N 3.16Å
27Q76.6Confident90.4Very high174 Ų17462.3 Ų62.381%0.81332%0.316SS*.THydrogen-bonded Turntrans-101.1-36-170.3-64176.29.400112.5G24G24-Q27 PolarHBondContact O-N 3.33Å
28C75.1Confident90.1Very high87 Ų8765.2 Ų65.259%0.58833%0.333SS*.SBendtrans-108.80.7-170.5-61.60000114.3G24 M30G24-C28 PolarHBondContact O-N 3.37Å; G24-C28 VanDerWaalsContact O-N 3.07Å; C28-M30 HydrophobicContact CB-CE 3.92Å; C28-M30 PolarHBondContact O-N 3.19Å; C28-M30 VanDerWaalsContact O-N 3.1Å
29G83.3Confident89.9Confident27 Ų2771.3 Ų71.328%0.27836%0.356SS..  trans58.926.1175.500000114.2F31 Q32G29-F31 PolarHBondContact O-N 2.62Å; G29-F31 VanDerWaalsContact O-N 3.09Å; G29-Q32 WeakPolarHBondContact O-CB 3.46Å; G29-Q32 PolarHBondContact O-N 2.95Å
30M90.4Very high89.8Confident5 Ų573.6 Ų73.63%0.02537%0.365CS..THydrogen-bonded Turntrans-56.8-29.6-175.360-155.153.600114.2H22 G24 Q25 C28 F61 Q62 Y123H22-M30 HydrophobicContact CB-SD 3.31Å; H22-M30 WeakPolarHBondContact CB-SD 3.4Å; H22-M30 VanDerWaalsContact CE1-CE 3.44Å; H22-M30 WeakPolarHBondContact CE1-CE 3.4Å; H22-M30 WeakPolarHBondContact ND1-CE 3.48Å; H22-M30 PolarHBondContact ND1-SD 3.46Å; G24-M30 WeakPolarHBondContact O-CE 3.37Å; Q25-M30 HydrophobicContact CB-CG 4.46Å; Q25-M30 HydrophobicContact CB-SD 4.04Å; C28-M30 HydrophobicContact CB-CE 3.92Å; C28-M30 PolarHBondContact O-N 3.19Å; C28-M30 VanDerWaalsContact O-N 3.1Å; M30-F61 VanDerWaalsContact O-CA 3.32Å; M30-F61 WeakPolarHBondContact O-CA 3.16Å; M30-Q62 PolarHBondContact O-N 3.3Å; M30-Y123 HydrophobicContact CG-CE1 4.5Å; M30-Y123 HydrophobicContact SD-CE1 4.31Å
31F93Very high89.8Confident13 Ų1378.3 Ų78.36%0.05739%0.386CS..THydrogen-bonded Turntrans-98.414177-55.3-53.3000113.6V20 H22 Q25 G29 S33 I34 F36 F61 Y123 L144V20-F31 HydrophobicContact CB-CE1 4.44Å; V20-F31 HydrophobicContact CB-CZ 4.12Å; V20-F31 HydrophobicContact CG2-CD2 4.34Å; V20-F31 HydrophobicContact CG2-CE1 4.21Å; V20-F31 HydrophobicContact CG2-CE2 4.02Å; V20-F31 HydrophobicContact CG2-CZ 3.95Å; H22-F31 HydrophobicContact CB-CE2 4.11Å; H22-F31 HydrophobicContact CB-CZ 3.99Å; Q25-F31 HydrophobicContact CB-CD2 3.99Å; Q25-F31 HydrophobicContact CB-CE2 3.88Å; G29-F31 PolarHBondContact O-N 2.62Å; G29-F31 VanDerWaalsContact O-N 3.09Å; F31-S33 PolarHBondContact O-N 3.03Å; F31-S33 VanDerWaalsContact O-N 3.11Å; F31-I34 HydrophobicContact CB-CB 4.39Å; F31-I34 HydrophobicContact CB-CG1 4.27Å; F31-I34 HydrophobicContact CD1-CG1 4.38Å; F31-I34 WeakPolarHBondContact O-CB 3.33Å; F31-I34 PolarHBondContact O-N 3.1Å; F31-F36 HydrophobicContact CB-CE2 3.72Å; F31-F36 HydrophobicContact CB-CZ 3.54Å; F31-F36 HydrophobicContact CD2-CZ 4.21Å; F31-F36 AromaticContact CG-CZ 3.95Å; F31-F36 HydrophobicContact CG-CZ 3.95Å; F31-F61 AromaticContact CD1-CD1 3.88Å; F31-F61 HydrophobicContact CD1-CD1 3.88Å; F31-F61 HydrophobicContact CD1-CE1 4.02Å; F31-F61 AromaticContact CE1-CD1 3.97Å; F31-F61 HydrophobicContact CE1-CD1 3.97Å; F31-F61 AromaticContact CE1-CE1 3.93Å; F31-F61 HydrophobicContact CE1-CE1 3.93Å; F31-Y123 AromaticContact CE1-CD1 3.95Å; F31-Y123 HydrophobicContact CE1-CD1 3.95Å; F31-Y123 AromaticContact CE1-CE1 3.8Å; F31-Y123 HydrophobicContact CE1-CE1 3.8Å; F31-Y123 HydrophobicContact CZ-CD1 4.02Å; F31-Y123 HydrophobicContact CZ-CE1 4.07Å; F31-L144 HydrophobicContact CD2-CD1 3.7Å; F31-L144 HydrophobicContact CE2-CD1 3.94Å
32Q90.6Very high89.8Confident163 Ų16376.4 Ų76.476%0.76238%0.378SS*.THydrogen-bonded Turntrans-57.5-29.5-177.1-177179.617.900113.1G29 I34G29-Q32 WeakPolarHBondContact O-CB 3.46Å; G29-Q32 PolarHBondContact O-N 2.95Å; Q32-I34 VanDerWaalsContact C-N 3.35Å
33S90.5Very high89.9Confident56 Ų5677.8 Ų77.839%0.39239%0.389SS..THydrogen-bonded Turntrans-86.6-2.9178.6-54.70000113.8F31 T60 Q62F31-S33 PolarHBondContact O-N 3.03Å; F31-S33 VanDerWaalsContact O-N 3.11Å; S33-T60 WeakPolarHBondContact CB-OG1 3.2Å; S33-Q62 PolarHBondContact OG-NE2 2.82Å
34I93.3Very high90Very high11 Ų1176 Ų766%0.05638%0.378CS..SBendtrans-95.4131-179.9-54.2-58.2000109.7F31 Q32 F36 Y59 F61 F142F31-I34 HydrophobicContact CB-CB 4.39Å; F31-I34 HydrophobicContact CB-CG1 4.27Å; F31-I34 HydrophobicContact CD1-CG1 4.38Å; F31-I34 WeakPolarHBondContact O-CB 3.33Å; F31-I34 PolarHBondContact O-N 3.1Å; Q32-I34 VanDerWaalsContact C-N 3.35Å; I34-F36 HydrophobicContact CB-CE2 4.01Å; I34-F36 HydrophobicContact CB-CZ 4.13Å; I34-F36 HydrophobicContact CG2-CD2 4.49Å; I34-F36 HydrophobicContact CG2-CE1 4.2Å; I34-F36 HydrophobicContact CG2-CE2 4.15Å; I34-F36 HydrophobicContact CG2-CZ 4.02Å; I34-F36 WeakPolarHBondContact O-CD2 3.47Å; I34-Y59 HydrophobicContact CD1-CD1 3.93Å; I34-Y59 HydrophobicContact CD1-CG 4.24Å; I34-F61 HydrophobicContact CD1-CE1 4.42Å; I34-F142 HydrophobicContact CG2-CB 3.75Å; I34-F142 HydrophobicContact CG2-CD1 3.79Å; I34-F142 HydrophobicContact CG2-CD2 3.82Å; I34-F142 HydrophobicContact CG2-CE1 4.33Å; I34-F142 HydrophobicContact CG2-CE2 4.36Å; I34-F142 HydrophobicContact CG2-CG 3.49Å; I34-F142 VanDerWaalsContact CG2-CG 3.49Å
35R93.4Very high90.3Very high206 Ų20680.3 Ų80.378%0.77741%0.406SS*.  trans-90106.4173.8-65.2-177.5-179-177.60.5109.4
36F92.9Very high90.8Very high41 Ų4181.6 Ų81.618%0.1841%0.412CS..BIsolated β-bridgetrans-79.4154.7177.7-66.5-81.8000112.1V20 F31 I34 N38 F142 L144V20-F36 HydrophobicContact CG2-CE1 3.66Å; V20-F36 HydrophobicContact CG2-CZ 4.1Å; F31-F36 HydrophobicContact CB-CE2 3.72Å; F31-F36 HydrophobicContact CB-CZ 3.54Å; F31-F36 HydrophobicContact CD2-CZ 4.21Å; F31-F36 AromaticContact CG-CZ 3.95Å; F31-F36 HydrophobicContact CG-CZ 3.95Å; I34-F36 HydrophobicContact CB-CE2 4.01Å; I34-F36 HydrophobicContact CB-CZ 4.13Å; I34-F36 HydrophobicContact CG2-CD2 4.49Å; I34-F36 HydrophobicContact CG2-CE1 4.2Å; I34-F36 HydrophobicContact CG2-CE2 4.15Å; I34-F36 HydrophobicContact CG2-CZ 4.02Å; I34-F36 WeakPolarHBondContact O-CD2 3.47Å; F36-N38 PolarHBondContact O-N 3.38Å; F36-N38 PolarHBondContact O-ND2 2.87Å; F36-F142 WeakPolarHBondContact CA-O 3.33Å; F36-F142 HydrophobicContact CD1-CB 3.75Å; F36-F142 HydrophobicContact CE1-CB 4.02Å; F36-L144 HydrophobicContact CD1-CB 3.82Å; F36-L144 HydrophobicContact CE1-CB 3.68Å; F36-L144 HydrophobicContact CE1-CD1 4.08Å; F36-L144 HydrophobicContact CE1-CG 4.45Å; F36-L144 HydrophobicContact CG-CB 4.41Å; F36-L144 HydrophobicContact CZ-CB 4.16Å; F36-L144 HydrophobicContact CZ-CD1 3.94Å
37F85.7Confident91.6Very high141 Ų14176.6 Ų76.662%0.61839%0.388SS*.THydrogen-bonded Turntrans57.818176.6-51.3-76.5000115.2F142 I143F37-F142 PolarHBondContact N-O 2.78Å; F37-I143 HydrophobicContact CE1-CG1 4.48Å; F37-I143 HydrophobicContact CE1-CG2 4.09Å; F37-I143 HydrophobicContact CZ-CG2 4.47Å
38N91.4Very high92.7Very high98 Ų9868.3 Ų68.352%0.52435%0.349SS..  trans-115.4132.9175-70.1-76.5000108.8F36F36-N38 PolarHBondContact O-N 3.38Å; F36-N38 PolarHBondContact O-ND2 2.87Å
39R95Very high93.8Very high128 Ų12868.1 Ų68.148%0.48334%0.338SS..EExtended strand (participates in β ladder)trans-84.6123.6169.6-72.6179.7169.2-155.8-0.9108.6E130 E139 T140 Q141R39-E130 IonicContact NH2-OE2 3.96Å; R39-E130 PolarHBondContact NH2-OE2 2.91Å; R39-E130 VanDerWaalsContact NH2-OE2 3.15Å; R39-E139 WeakPolarHBondContact CD-OE2 3.38Å; R39-E139 IonicContact NH1-OE2 3.53Å; R39-T140 WeakPolarHBondContact CA-O 3.31Å; R39-Q141 HydrophobicContact CG-CB 4.15Å; R39-Q141 HydrophobicContact CG-CG 4.21Å
40E96.4Very high94.5Very high66 Ų6666.8 Ų66.831%0.30833%0.325SS..EExtended strand (participates in β ladder)trans-109.2112.9178.2-175.5176-155.600109.4L42 R58 Y59 E139 T140E40-L42 HydrophobicContact CG-CD2 4.01Å; E40-L42 HydrophobicContact CG-CG 4.41Å; E40-R58 IonicContact OE1-CZ 2.91Å; E40-R58 IonicContact OE1-NE 3.15Å; E40-R58 PolarHBondContact OE1-NE 3.43Å; E40-R58 IonicContact OE1-NH2 2.55Å; E40-R58 PolarHBondContact OE1-NH2 3.05Å; E40-R58 IonicContact OE2-NE 3.42Å; E40-R58 PolarHBondContact OE2-NE 2.87Å; E40-Y59 VanDerWaalsContact OE2-CE1 3.29Å; E40-Y59 WeakPolarHBondContact OE2-CE1 3.29Å; E40-Y59 VanDerWaalsContact OE2-CZ 3.32Å; E40-Y59 PolarHBondContact OE2-OH 2.79Å; E40-E139 CarbonylContact O-C 3.54Å; E40-E139 VanDerWaalsContact O-CA 3.31Å; E40-E139 WeakPolarHBondContact O-CA 3.26Å; E40-T140 PolarHBondContact N-O 3.23Å; E40-T140 PolarHBondContact O-N 3.44Å
41K96.9Very high94.9Very high101 Ų10166.6 Ų66.644%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-81.5128.4178.6-171.3171.5-176.7168.40111F137 F138 E139K41-F137 HydrophobicContact CD-CB 4.39Å; K41-F137 HydrophobicContact CD-CG 4.45Å; K41-F137 VanDerWaalsContact CE-CB 3.46Å; K41-F137 VanDerWaalsContact CE-CG 3.41Å; K41-F137 HydrophobicContact CG-CB 4.06Å; K41-F137 HydrophobicContact CG-CD1 4.21Å; K41-F137 HydrophobicContact CG-CG 4.34Å; K41-F138 CarbonylContact C-O 3.57Å; K41-F138 WeakPolarHBondContact CA-O 3.38Å; K41-E139 HydrophobicContact CB-CG 4.16Å; K41-E139 HydrophobicContact CG-CG 4.42Å
42L97.3Very high95.1Very high1 Ų171.2 Ų71.21%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-131.4146.6-174.4-59.1179.2000110.4E40 V48 R58 F137 F138 T140E40-L42 HydrophobicContact CG-CD2 4.01Å; E40-L42 HydrophobicContact CG-CG 4.41Å; L42-V48 HydrophobicContact CD1-CG2 3.88Å; L42-R58 VanDerWaalsContact CD2-NE 3.3Å; L42-R58 VanDerWaalsContact CD2-NH2 3.31Å; L42-F137 CarbonylContact O-C 3.56Å; L42-F137 VanDerWaalsContact O-CA 3.26Å; L42-F137 WeakPolarHBondContact O-CA 3.06Å; L42-F138 HydrophobicContact CB-CD1 3.98Å; L42-F138 HydrophobicContact CB-CE1 3.42Å; L42-F138 VanDerWaalsContact CB-CE1 3.42Å; L42-F138 HydrophobicContact CB-CE2 4.25Å; L42-F138 HydrophobicContact CB-CZ 3.56Å; L42-F138 HydrophobicContact CD1-CE1 4.31Å; L42-F138 HydrophobicContact CD1-CE2 3.92Å; L42-F138 HydrophobicContact CD1-CZ 3.56Å; L42-F138 HydrophobicContact CG-CE1 4.47Å; L42-F138 HydrophobicContact CG-CZ 4.15Å; L42-F138 PolarHBondContact N-O 2.91Å; L42-F138 WeakPolarHBondContact O-CD1 3.37Å; L42-F138 PolarHBondContact O-N 2.77Å; L42-T140 HydrophobicContact CD1-CG2 4.11Å
43P97.4Very high95.4Very high49 Ų4965.3 Ų65.332%0.31832%0.315SS..EExtended strand (participates in β ladder)trans-71.5143.1174.429.4-31.5000110.6S45 E46 E136 F137 F138P43-S45 PolarHBondContact O-N 3.29Å; P43-S45 VanDerWaalsContact O-N 3.1Å; P43-E46 WeakPolarHBondContact CD-OE2 3.29Å; P43-E46 HydrophobicContact CG-CB 4.08Å; P43-E46 VanDerWaalsContact O-CB 3.28Å; P43-E46 WeakPolarHBondContact O-CB 3.44Å; P43-E46 PolarHBondContact O-N 3.47Å; P43-E136 CarbonylContact C-O 3.46Å; P43-E136 WeakPolarHBondContact CA-O 3.22Å; P43-F137 HydrophobicContact CB-CE1 4.49Å; P43-F138 WeakPolarHBondContact O-CE1 3.45Å
44S95.7Very high95.7Very high31 Ų3166.7 Ų66.722%0.21732%0.324CS..THydrogen-bonded Turntrans-64-17.8-178.264.10000114.2E46 L135 E136S44-E46 VanDerWaalsContact C-N 3.28Å; S44-L135 WeakPolarHBondContact CB-O 3.35Å; S44-L135 PolarHBondContact OG-O 3.09Å; S44-E136 PolarHBondContact N-O 3.16Å; S44-E136 PolarHBondContact OG-O 2.89Å
45S95.4Very high95.8Very high106 Ų10673 Ų7374%0.74136%0.358SS*.THydrogen-bonded Turntrans-74.1-14.9171.860.60000113.9P43P43-S45 PolarHBondContact O-N 3.29Å; P43-S45 VanDerWaalsContact O-N 3.1Å
46E96.1Very high96Very high50 Ų5067 Ų6723%0.23434%0.34CS..  trans-75.4134.1-179.5-170.3168.9163.900111.6P43 S44 R58P43-E46 WeakPolarHBondContact CD-OE2 3.29Å; P43-E46 HydrophobicContact CG-CB 4.08Å; P43-E46 VanDerWaalsContact O-CB 3.28Å; P43-E46 WeakPolarHBondContact O-CB 3.44Å; P43-E46 PolarHBondContact O-N 3.47Å; S44-E46 VanDerWaalsContact C-N 3.28Å; E46-R58 WeakPolarHBondContact OE1-CD 3.26Å; E46-R58 IonicContact OE1-CZ 2.63Å; E46-R58 IonicContact OE1-NE 3.45Å; E46-R58 IonicContact OE1-NH1 2.99Å; E46-R58 PolarHBondContact OE1-NH1 2.99Å; E46-R58 IonicContact OE2-NH1 3.21Å; E46-R58 PolarHBondContact OE2-NH1 3.37Å
47V98.1Very high96.2Very high54 Ų5465.4 Ų65.433%0.32733%0.334SS..  trans-97.4107.1169.1179.20000108.5K49 Q74V47-K49 PolarHBondContact O-N 2.8Å; V47-Q74 HydrophobicContact CG2-CB 4.35Å; V47-Q74 HydrophobicContact CG2-CG 4.18Å
48V98.3Very high96.8Very high1 Ų163.5 Ų63.51%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-73.3125.3-179.5-175.40000109.4L42 F50 Y59 S72 L73 F138L42-V48 HydrophobicContact CD1-CG2 3.88Å; V48-F50 HydrophobicContact CB-CE2 4.18Å; V48-F50 HydrophobicContact CG1-CD2 4.19Å; V48-F50 HydrophobicContact CG1-CE2 3.45Å; V48-F50 VanDerWaalsContact CG1-CE2 3.45Å; V48-F50 HydrophobicContact CG1-CZ 3.81Å; V48-Y59 HydrophobicContact CG1-CD2 3.52Å; V48-Y59 HydrophobicContact CG1-CE2 3.35Å; V48-S72 CarbonylContact O-C 3.6Å; V48-S72 WeakPolarHBondContact O-CA 3.12Å; V48-S72 WeakPolarHBondContact O-CB 3.33Å; V48-L73 HydrophobicContact CB-CB 4.34Å; V48-L73 PolarHBondContact N-O 2.69Å; V48-L73 PolarHBondContact O-N 3.07Å; V48-F138 HydrophobicContact CG2-CE2 4.06Å; V48-F138 HydrophobicContact CG2-CZ 3.53Å
49K98.7Very high97.1Very high82 Ų8259.3 Ų59.336%0.35730%0.3SS..EExtended strand (participates in β ladder)trans-116.2137.8-179.5-70.5170.7-171.9166.80110.8V47 I56 C57 R58 Y59 V69V47-K49 PolarHBondContact O-N 2.8Å; K49-I56 WeakPolarHBondContact CD-O 3.47Å; K49-C57 HydrophobicContact CB-CB 4.38Å; K49-C57 CarbonylContact O-C 3.55Å; K49-C57 WeakPolarHBondContact O-CA 3.46Å; K49-C57 WeakPolarHBondContact O-CB 3.33Å; K49-R58 PolarHBondContact O-N 3.02Å; K49-Y59 PolarHBondContact O-N 3.46Å; K49-V69 HydrophobicContact CB-CG1 4.22Å; K49-V69 HydrophobicContact CG-CG1 4.32Å
50F98.7Very high97.2Very high0 Ų053.8 Ų53.80%028%0.28CS..EExtended strand (participates in β ladder)trans-117.9135.9179.9-61.4-106.1000108.9M18 V48 Y59 F61 V69 Q70 F71 L73 F142M18-F50 HydrophobicContact CE-CZ 4.33Å; M18-F50 HydrophobicContact SD-CE1 3.91Å; M18-F50 HydrophobicContact SD-CZ 3.77Å; V48-F50 HydrophobicContact CB-CE2 4.18Å; V48-F50 HydrophobicContact CG1-CD2 4.19Å; V48-F50 HydrophobicContact CG1-CE2 3.45Å; V48-F50 VanDerWaalsContact CG1-CE2 3.45Å; V48-F50 HydrophobicContact CG1-CZ 3.81Å; F50-Y59 WeakPolarHBondContact CA-O 3.39Å; F50-Y59 AromaticContact CD1-CD2 3.93Å; F50-Y59 HydrophobicContact CD1-CD2 3.93Å; F50-Y59 HydrophobicContact CD1-CG 4.21Å; F50-Y59 AromaticContact CE1-CD2 3.41Å; F50-Y59 HydrophobicContact CE1-CD2 3.41Å; F50-Y59 VanDerWaalsContact CE1-CD2 3.41Å; F50-Y59 HydrophobicContact CE1-CE2 4.33Å; F50-Y59 AromaticContact CE1-CG 3.98Å; F50-Y59 HydrophobicContact CE1-CG 3.98Å; F50-Y59 HydrophobicContact CE2-CD2 4.2Å; F50-Y59 AromaticContact CZ-CD2 3.55Å; F50-Y59 HydrophobicContact CZ-CD2 3.55Å; F50-Y59 HydrophobicContact CZ-CE2 4.14Å; F50-F61 HydrophobicContact CB-CE2 4.02Å; F50-F61 HydrophobicContact CB-CZ 4.38Å; F50-F61 HydrophobicContact CD1-CE2 4.47Å; F50-F61 AromaticContact CD1-CZ 3.99Å; F50-F61 HydrophobicContact CD1-CZ 3.99Å; F50-V69 CarbonylContact O-C 3.58Å; F50-Q70 WeakPolarHBondContact O-CA 3.35Å; F50-Q70 WeakPolarHBondContact O-CB 3.25Å; F50-Q70 PolarHBondContact O-N 3.06Å; F50-F71 HydrophobicContact CB-CD1 4.02Å; F50-F71 HydrophobicContact CB-CD2 4.36Å; F50-F71 HydrophobicContact CB-CE1 3.66Å; F50-F71 HydrophobicContact CB-CE2 4.06Å; F50-F71 HydrophobicContact CB-CG 4.34Å; F50-F71 HydrophobicContact CB-CZ 3.7Å; F50-F71 HydrophobicContact CD1-CE1 4.29Å; F50-F71 HydrophobicContact CD1-CE2 4.05Å; F50-F71 AromaticContact CD1-CZ 3.6Å; F50-F71 HydrophobicContact CD1-CZ 3.6Å; F50-F71 AromaticContact CD2-CD2 3.69Å; F50-F71 HydrophobicContact CD2-CD2 3.69Å; F50-F71 HydrophobicContact CD2-CE1 4.39Å; F50-F71 AromaticContact CD2-CE2 3.22Å; F50-F71 HydrophobicContact CD2-CE2 3.22Å; F50-F71 HydrophobicContact CD2-CG 4.46Å; F50-F71 AromaticContact CD2-CZ 3.63Å; F50-F71 HydrophobicContact CD2-CZ 3.63Å; F50-F71 HydrophobicContact CE1-CE2 4.24Å; F50-F71 HydrophobicContact CE1-CZ 4.02Å; F50-F71 HydrophobicContact CE2-CD2 4.23Å; F50-F71 AromaticContact CE2-CE2 3.52Å; F50-F71 HydrophobicContact CE2-CE2 3.52Å; F50-F71 HydrophobicContact CE2-CZ 4.1Å; F50-F71 HydrophobicContact CG-CD2 4.16Å; F50-F71 AromaticContact CG-CE1 3.9Å; F50-F71 HydrophobicContact CG-CE1 3.9Å; F50-F71 AromaticContact CG-CE2 3.52Å; F50-F71 HydrophobicContact CG-CE2 3.52Å; F50-F71 AromaticContact CG-CZ 3.36Å; F50-F71 HydrophobicContact CG-CZ 3.36Å; F50-F71 HydrophobicContact CZ-CE2 4.02Å; F50-F71 HydrophobicContact CZ-CZ 4.27Å; F50-F71 PolarHBondContact N-O 3.16Å; F50-F71 PolarHBondContact O-N 3.07Å; F50-L73 HydrophobicContact CE2-CB 4.45Å; F50-L73 HydrophobicContact CE2-CD1 3.71Å; F50-L73 HydrophobicContact CE2-CG 3.87Å; F50-L73 HydrophobicContact CZ-CD1 3.88Å; F50-F142 HydrophobicContact CE1-CE1 4.24Å; F50-F142 AromaticContact CE1-CZ 3.81Å; F50-F142 HydrophobicContact CE1-CZ 3.81Å
51G98.3Very high97.2Very high0 Ų050.7 Ų50.70%027%0.266CS..EExtended strand (participates in β ladder)trans164.1-173.4179.300000112.5Y59 T60 F61G51-Y59 PolarHBondContact N-O 2.85Å; G51-T60 WeakPolarHBondContact O-CA 3.12Å; G51-F61 PolarHBondContact O-N 2.74Å; G51-F61 VanDerWaalsContact O-N 3.1Å
52R97.1Very high97Very high111 Ų11150.4 Ų50.442%0.41927%0.266SS..SBendtrans-86.8-6.4-179.169.5176.8173.196.1-4.6115.3F61 V66 S67 R68R52-F61 WeakPolarHBondContact CB-O 3.31Å; R52-V66 HydrophobicContact CB-CB 4.41Å; R52-V66 WeakPolarHBondContact CD-O 3.22Å; R52-V66 PolarHBondContact NE-O 2.88Å; R52-S67 PolarHBondContact N-O 2.9Å; R52-S67 VanDerWaalsContact N-O 3.09Å; R52-R68 PolarHBondContact N-O 2.96Å
53N97.5Very high96.8Very high39 Ų3952.1 Ų52.121%0.20928%0.275CS..  trans-96.3106.6-176.1-175-8.6000111.5N55 I56 C57 R68N53-N55 PolarHBondContact O-N 2.74Å; N53-N55 WeakPolarHBondContact OD1-CB 3.36Å; N53-N55 PolarHBondContact OD1-N 3.01Å; N53-I56 HydrophobicContact CB-CD1 3.99Å; N53-I56 HydrophobicContact CB-CG1 3.79Å; N53-I56 WeakPolarHBondContact ND2-CD1 3.49Å; N53-I56 PolarHBondContact O-N 2.86Å; N53-C57 VanDerWaalsContact O-CB 3.3Å; N53-C57 WeakPolarHBondContact O-CB 3.09Å; N53-C57 PolarHBondContact O-N 3.23Å; N53-R68 HydrophobicContact CB-CB 4.17Å; N53-R68 VanDerWaalsContact CB-O 3.3Å; N53-R68 WeakPolarHBondContact CB-O 3.46Å; N53-R68 PolarHBondContact N-O 2.75Å
54S95.8Very high96.6Very high84 Ų8458.9 Ų58.959%0.58730%0.3SS*.THydrogen-bonded Turntrans-66.6-17.2-179.8570000115.6I56S54-I56 VanDerWaalsContact C-N 3.29Å
55N96.6Very high96.5Very high143 Ų14363.2 Ų63.277%0.76532%0.317SS*.THydrogen-bonded Turntrans-79.6-17.2179.4-61.4-17.2000112.3N53N53-N55 PolarHBondContact O-N 2.74Å; N53-N55 WeakPolarHBondContact OD1-CB 3.36Å; N53-N55 PolarHBondContact OD1-N 3.01Å
56I96.8Very high96.6Very high80 Ų8058.4 Ų58.441%0.4128%0.283SS..THydrogen-bonded Turntrans-132.8-19.6-172.865.2-179000114K49 N53 S54 V69K49-I56 WeakPolarHBondContact CD-O 3.47Å; N53-I56 HydrophobicContact CB-CD1 3.99Å; N53-I56 HydrophobicContact CB-CG1 3.79Å; N53-I56 WeakPolarHBondContact ND2-CD1 3.49Å; N53-I56 PolarHBondContact O-N 2.86Å; S54-I56 VanDerWaalsContact C-N 3.29Å; I56-V69 HydrophobicContact CD1-CG2 3.28Å; I56-V69 HydrophobicContact CG1-CG2 3.95Å
57C98.1Very high96.7Very high8 Ų857.1 Ų57.15%0.05428%0.279CS..  trans-101134.3177.6-59.60000109.4K49 N53 T60 R68K49-C57 HydrophobicContact CB-CB 4.38Å; K49-C57 CarbonylContact O-C 3.55Å; K49-C57 WeakPolarHBondContact O-CA 3.46Å; K49-C57 WeakPolarHBondContact O-CB 3.33Å; N53-C57 VanDerWaalsContact O-CB 3.3Å; N53-C57 WeakPolarHBondContact O-CB 3.09Å; N53-C57 PolarHBondContact O-N 3.23Å; C57-T60 HydrophobicContact CB-CG2 4.02Å; C57-R68 PolarHBondContact SG-O 3.42Å
58R97.3Very high96.7Very high101 Ų10162.4 Ų62.438%0.38129%0.293SS..SBendtrans-71.5-46.2172.7-170.4174.4-163.998.83.5110.4E40 L42 E46 K49E40-R58 IonicContact OE1-CZ 2.91Å; E40-R58 IonicContact OE1-NE 3.15Å; E40-R58 PolarHBondContact OE1-NE 3.43Å; E40-R58 IonicContact OE1-NH2 2.55Å; E40-R58 PolarHBondContact OE1-NH2 3.05Å; E40-R58 IonicContact OE2-NE 3.42Å; E40-R58 PolarHBondContact OE2-NE 2.87Å; L42-R58 VanDerWaalsContact CD2-NE 3.3Å; L42-R58 VanDerWaalsContact CD2-NH2 3.31Å; E46-R58 WeakPolarHBondContact OE1-CD 3.26Å; E46-R58 IonicContact OE1-CZ 2.63Å; E46-R58 IonicContact OE1-NE 3.45Å; E46-R58 IonicContact OE1-NH1 2.99Å; E46-R58 PolarHBondContact OE1-NH1 2.99Å; E46-R58 IonicContact OE2-NH1 3.21Å; E46-R58 PolarHBondContact OE2-NH1 3.37Å; K49-R58 PolarHBondContact O-N 3.02Å
59Y97.8Very high96.7Very high10 Ų1063.6 Ų63.64%0.03930%0.301CS..EExtended strand (participates in β ladder)trans-102.8119.5176.4-58.3-57000109.8I34 E40 V48 K49 F50 G51 T140 F142I34-Y59 HydrophobicContact CD1-CD1 3.93Å; I34-Y59 HydrophobicContact CD1-CG 4.24Å; E40-Y59 VanDerWaalsContact OE2-CE1 3.29Å; E40-Y59 WeakPolarHBondContact OE2-CE1 3.29Å; E40-Y59 VanDerWaalsContact OE2-CZ 3.32Å; E40-Y59 PolarHBondContact OE2-OH 2.79Å; V48-Y59 HydrophobicContact CG1-CD2 3.52Å; V48-Y59 HydrophobicContact CG1-CE2 3.35Å; K49-Y59 PolarHBondContact O-N 3.46Å; F50-Y59 WeakPolarHBondContact CA-O 3.39Å; F50-Y59 AromaticContact CD1-CD2 3.93Å; F50-Y59 HydrophobicContact CD1-CD2 3.93Å; F50-Y59 HydrophobicContact CD1-CG 4.21Å; F50-Y59 AromaticContact CE1-CD2 3.41Å; F50-Y59 HydrophobicContact CE1-CD2 3.41Å; F50-Y59 VanDerWaalsContact CE1-CD2 3.41Å; F50-Y59 HydrophobicContact CE1-CE2 4.33Å; F50-Y59 AromaticContact CE1-CG 3.98Å; F50-Y59 HydrophobicContact CE1-CG 3.98Å; F50-Y59 HydrophobicContact CE2-CD2 4.2Å; F50-Y59 AromaticContact CZ-CD2 3.55Å; F50-Y59 HydrophobicContact CZ-CD2 3.55Å; F50-Y59 HydrophobicContact CZ-CE2 4.14Å; G51-Y59 PolarHBondContact N-O 2.85Å; Y59-T140 PolarHBondContact OH-OG1 2.75Å; Y59-F142 AromaticContact CD1-CE2 3.57Å; Y59-F142 HydrophobicContact CD1-CE2 3.57Å; Y59-F142 AromaticContact CD1-CZ 3.78Å; Y59-F142 HydrophobicContact CD1-CZ 3.78Å; Y59-F142 HydrophobicContact CD2-CE2 4.01Å; Y59-F142 AromaticContact CD2-CZ 3.72Å; Y59-F142 HydrophobicContact CD2-CZ 3.72Å; Y59-F142 HydrophobicContact CE1-CD2 4.36Å; Y59-F142 AromaticContact CE1-CE2 3.46Å; Y59-F142 HydrophobicContact CE1-CE2 3.46Å; Y59-F142 VanDerWaalsContact CE1-CE2 3.46Å; Y59-F142 HydrophobicContact CE1-CZ 4.09Å; Y59-F142 AromaticContact CE2-CE2 3.86Å; Y59-F142 HydrophobicContact CE2-CE2 3.86Å; Y59-F142 AromaticContact CE2-CZ 3.98Å; Y59-F142 HydrophobicContact CE2-CZ 3.98Å; Y59-F142 AromaticContact CG-CE2 3.88Å; Y59-F142 HydrophobicContact CG-CE2 3.88Å; Y59-F142 AromaticContact CG-CZ 3.62Å; Y59-F142 HydrophobicContact CG-CZ 3.62Å; Y59-F142 AromaticContact CZ-CE2 3.63Å
60T97.5Very high96.7Very high12 Ų1259.8 Ų59.87%0.07428%0.284CS..EExtended strand (participates in β ladder)trans-112.8141-175.1500000113.6S33 G51 C57S33-T60 WeakPolarHBondContact CB-OG1 3.2Å; G51-T60 WeakPolarHBondContact O-CA 3.12Å; C57-T60 HydrophobicContact CB-CG2 4.02Å
61F95.8Very high96.7Very high1 Ų159.8 Ų59.80%0.00428%0.284CS..  trans-111.4127.5174.4-50.3-55.1000110.2M30 F31 I34 F50 G51 R52 D63 V66 F120 Y123 F125M30-F61 VanDerWaalsContact O-CA 3.32Å; M30-F61 WeakPolarHBondContact O-CA 3.16Å; F31-F61 AromaticContact CD1-CD1 3.88Å; F31-F61 HydrophobicContact CD1-CD1 3.88Å; F31-F61 HydrophobicContact CD1-CE1 4.02Å; F31-F61 AromaticContact CE1-CD1 3.97Å; F31-F61 HydrophobicContact CE1-CD1 3.97Å; F31-F61 AromaticContact CE1-CE1 3.93Å; F31-F61 HydrophobicContact CE1-CE1 3.93Å; I34-F61 HydrophobicContact CD1-CE1 4.42Å; F50-F61 HydrophobicContact CB-CE2 4.02Å; F50-F61 HydrophobicContact CB-CZ 4.38Å; F50-F61 HydrophobicContact CD1-CE2 4.47Å; F50-F61 AromaticContact CD1-CZ 3.99Å; F50-F61 HydrophobicContact CD1-CZ 3.99Å; G51-F61 PolarHBondContact O-N 2.74Å; G51-F61 VanDerWaalsContact O-N 3.1Å; R52-F61 WeakPolarHBondContact CB-O 3.31Å; F61-D63 PolarHBondContact O-N 2.79Å; F61-V66 HydrophobicContact CB-CG2 4.21Å; F61-V66 HydrophobicContact CD2-CG1 3.95Å; F61-V66 HydrophobicContact CD2-CG2 4.44Å; F61-F120 HydrophobicContact CD2-CZ 4.32Å; F61-F120 AromaticContact CE2-CZ 3.96Å; F61-F120 HydrophobicContact CE2-CZ 3.96Å; F61-Y123 HydrophobicContact CB-CE1 4.45Å; F61-Y123 HydrophobicContact CD1-CE1 4.28Å; F61-Y123 HydrophobicContact CG-CE1 4.21Å; F61-F125 AromaticContact CE1-CZ 3.95Å; F61-F125 HydrophobicContact CE1-CZ 3.95Å; F61-F125 HydrophobicContact CE2-CZ 4.27Å; F61-F125 HydrophobicContact CZ-CE1 4.11Å; F61-F125 HydrophobicContact CZ-CE2 4.46Å; F61-F125 AromaticContact CZ-CZ 3.47Å; F61-F125 HydrophobicContact CZ-CZ 3.47Å; F61-F125 VanDerWaalsContact CZ-CZ 3.47Å
62Q93.2Very high96.7Very high96 Ų9660 Ų6045%0.44929%0.286SS..  trans-80.860.3178.1-59.1-57.1-30.200111.2M30 S33M30-Q62 PolarHBondContact O-N 3.3Å; S33-Q62 PolarHBondContact OG-NE2 2.82Å
63D93.4Very high96.8Very high36 Ų3654.8 Ų54.819%0.19327%0.266CS..  trans-142.2127.5-174.8179.81.1000111.1F61 Q65 V66 Y123F61-D63 PolarHBondContact O-N 2.79Å; D63-Q65 VanDerWaalsContact C-N 3.25Å; D63-Q65 PolarHBondContact O-N 3.45Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.18Å; D63-Q65 PolarHBondContact OD1-N 2.81Å; D63-V66 HydrophobicContact CB-CG2 3.85Å; D63-V66 PolarHBondContact O-N 3.4Å; D63-Y123 WeakPolarHBondContact CB-OH 3.26Å; D63-Y123 VanDerWaalsContact OD2-CE2 3.29Å; D63-Y123 WeakPolarHBondContact OD2-CE2 3.29Å; D63-Y123 PolarHBondContact OD2-OH 3.35Å
64K92.6Very high96.8Very high191 Ų19156.9 Ų56.983%0.8327%0.274SS*.THydrogen-bonded Turntrans-70.1-21.8-179.8-64.6-178.2-177.5175.60112.7V66K64-V66 VanDerWaalsContact C-N 3.34Å
65Q94Very high96.9Very high123 Ų12353.4 Ų53.458%0.57525%0.249SC*.THydrogen-bonded Turntrans-74.8-27.4179.9-62.4-57-22.600112.7D63 K94D63-Q65 VanDerWaalsContact C-N 3.25Å; D63-Q65 PolarHBondContact O-N 3.45Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.18Å; D63-Q65 PolarHBondContact OD1-N 2.81Å; Q65-K94 PolarHBondContact O-NZ 2.86Å
66V97Very high96.9Very high5 Ų549.3 Ų49.33%0.0323%0.225CC..SBendtrans-70.4140178.7-178.50000110.6R52 F61 D63 K64 Q70 F120 Y123R52-V66 HydrophobicContact CB-CB 4.41Å; R52-V66 WeakPolarHBondContact CD-O 3.22Å; R52-V66 PolarHBondContact NE-O 2.88Å; F61-V66 HydrophobicContact CB-CG2 4.21Å; F61-V66 HydrophobicContact CD2-CG1 3.95Å; F61-V66 HydrophobicContact CD2-CG2 4.44Å; D63-V66 HydrophobicContact CB-CG2 3.85Å; D63-V66 PolarHBondContact O-N 3.4Å; K64-V66 VanDerWaalsContact C-N 3.34Å; V66-Q70 HydrophobicContact CG1-CB 3.94Å; V66-Q70 HydrophobicContact CG1-CG 4.35Å; V66-F120 HydrophobicContact CG1-CE2 4.5Å; V66-F120 HydrophobicContact CG2-CE2 4.13Å; V66-Y123 HydrophobicContact CG2-CD2 4.48Å; V66-Y123 HydrophobicContact CG2-CE2 3.63Å
67S98.1Very high96.9Very high22 Ų2251.1 Ų51.115%0.15423%0.23CC..  trans-65.4157.9173.9-79.90000112.1R52 V69 S92R52-S67 PolarHBondContact N-O 2.9Å; R52-S67 VanDerWaalsContact N-O 3.09Å; S67-V69 VanDerWaalsContact CB-O 3.26Å; S67-V69 WeakPolarHBondContact CB-O 3.39Å; S67-V69 PolarHBondContact O-N 3Å; S67-S92 WeakPolarHBondContact OG-CB 3.45Å; S67-S92 PolarHBondContact OG-OG 3.2Å
68R98Very high96.7Very high166 Ų16654.9 Ų54.963%0.62625%0.245SC*.SBendtrans-52.7-41.5176.7-70.6-175.2-177179.30.8111.3R52 N53 C57R52-R68 PolarHBondContact N-O 2.96Å; N53-R68 HydrophobicContact CB-CB 4.17Å; N53-R68 VanDerWaalsContact CB-O 3.3Å; N53-R68 WeakPolarHBondContact CB-O 3.46Å; N53-R68 PolarHBondContact N-O 2.75Å; C57-R68 PolarHBondContact SG-O 3.42Å
69V98.6Very high96.6Very high26 Ų2659.8 Ų59.816%0.15827%0.27CS..SBendtrans-126.9121.9161-169.80000106.1K49 F50 I56 S67 M91K49-V69 HydrophobicContact CB-CG1 4.22Å; K49-V69 HydrophobicContact CG-CG1 4.32Å; F50-V69 CarbonylContact O-C 3.58Å; I56-V69 HydrophobicContact CD1-CG2 3.28Å; I56-V69 HydrophobicContact CG1-CG2 3.95Å; S67-V69 VanDerWaalsContact CB-O 3.26Å; S67-V69 WeakPolarHBondContact CB-O 3.39Å; S67-V69 PolarHBondContact O-N 3Å; V69-M91 HydrophobicContact CB-CB 3.93Å; V69-M91 HydrophobicContact CG1-CB 3.67Å; V69-M91 HydrophobicContact CG1-CG 3.79Å; V69-M91 CarbonylContact O-C 3.58Å
70Q98.7Very high96.4Very high1 Ų167.9 Ų67.91%0.00531%0.313CS..  trans-86.9-54.6-179.4-172.76139.600110.6F50 V66 N90 M91 S92 T95 F120F50-Q70 WeakPolarHBondContact O-CA 3.35Å; F50-Q70 WeakPolarHBondContact O-CB 3.25Å; F50-Q70 PolarHBondContact O-N 3.06Å; V66-Q70 HydrophobicContact CG1-CB 3.94Å; V66-Q70 HydrophobicContact CG1-CG 4.35Å; Q70-N90 PolarHBondContact O-OD1 3.23Å; Q70-M91 PolarHBondContact O-N 3.09Å; Q70-S92 PolarHBondContact O-N 3.34Å; Q70-T95 PolarHBondContact NE2-OG1 2.81Å; Q70-T95 PolarHBondContact OE1-OG1 3.01Å; Q70-F120 HydrophobicContact CG-CD1 4.08Å; Q70-F120 HydrophobicContact CG-CD2 3.6Å; Q70-F120 HydrophobicContact CG-CE1 4.13Å; Q70-F120 HydrophobicContact CG-CE2 3.67Å; Q70-F120 HydrophobicContact CG-CG 3.83Å; Q70-F120 HydrophobicContact CG-CZ 3.93Å
71F98.8Very high96.2Very high0 Ų068.9 Ų68.90%032%0.321CS..EExtended strand (participates in β ladder)trans-151.5167.517565.7-88000110.3F50 L73 I88 K89 L97 F120 M127F50-F71 HydrophobicContact CB-CD1 4.02Å; F50-F71 HydrophobicContact CB-CD2 4.36Å; F50-F71 HydrophobicContact CB-CE1 3.66Å; F50-F71 HydrophobicContact CB-CE2 4.06Å; F50-F71 HydrophobicContact CB-CG 4.34Å; F50-F71 HydrophobicContact CB-CZ 3.7Å; F50-F71 HydrophobicContact CD1-CE1 4.29Å; F50-F71 HydrophobicContact CD1-CE2 4.05Å; F50-F71 AromaticContact CD1-CZ 3.6Å; F50-F71 HydrophobicContact CD1-CZ 3.6Å; F50-F71 AromaticContact CD2-CD2 3.69Å; F50-F71 HydrophobicContact CD2-CD2 3.69Å; F50-F71 HydrophobicContact CD2-CE1 4.39Å; F50-F71 AromaticContact CD2-CE2 3.22Å; F50-F71 HydrophobicContact CD2-CE2 3.22Å; F50-F71 HydrophobicContact CD2-CG 4.46Å; F50-F71 AromaticContact CD2-CZ 3.63Å; F50-F71 HydrophobicContact CD2-CZ 3.63Å; F50-F71 HydrophobicContact CE1-CE2 4.24Å; F50-F71 HydrophobicContact CE1-CZ 4.02Å; F50-F71 HydrophobicContact CE2-CD2 4.23Å; F50-F71 AromaticContact CE2-CE2 3.52Å; F50-F71 HydrophobicContact CE2-CE2 3.52Å; F50-F71 HydrophobicContact CE2-CZ 4.1Å; F50-F71 HydrophobicContact CG-CD2 4.16Å; F50-F71 AromaticContact CG-CE1 3.9Å; F50-F71 HydrophobicContact CG-CE1 3.9Å; F50-F71 AromaticContact CG-CE2 3.52Å; F50-F71 HydrophobicContact CG-CE2 3.52Å; F50-F71 AromaticContact CG-CZ 3.36Å; F50-F71 HydrophobicContact CG-CZ 3.36Å; F50-F71 HydrophobicContact CZ-CE2 4.02Å; F50-F71 HydrophobicContact CZ-CZ 4.27Å; F50-F71 PolarHBondContact N-O 3.16Å; F50-F71 PolarHBondContact O-N 3.07Å; F71-L73 HydrophobicContact CE2-CG 4.31Å; F71-I88 HydrophobicContact CD2-CD1 3.85Å; F71-I88 HydrophobicContact CD2-CG1 3.99Å; F71-I88 HydrophobicContact CE2-CD1 4.21Å; F71-I88 HydrophobicContact CG-CD1 4.44Å; F71-K89 CarbonylContact C-O 3.6Å; F71-K89 VanDerWaalsContact CA-O 3.23Å; F71-K89 WeakPolarHBondContact CA-O 3.27Å; F71-K89 WeakPolarHBondContact CB-O 3.42Å; F71-L97 HydrophobicContact CB-CD1 4.44Å; F71-L97 HydrophobicContact CB-CD2 3.68Å; F71-L97 HydrophobicContact CD1-CD1 4.06Å; F71-L97 HydrophobicContact CG-CD1 4.37Å; F71-L97 HydrophobicContact CG-CD2 4.16Å; F71-F120 HydrophobicContact CD1-CD1 4.36Å; F71-F120 HydrophobicContact CD1-CE1 4.14Å; F71-F120 HydrophobicContact CE1-CD1 4.22Å; F71-F120 AromaticContact CE1-CE1 3.63Å; F71-F120 HydrophobicContact CE1-CE1 3.63Å; F71-F120 HydrophobicContact CE1-CZ 4.38Å; F71-M127 HydrophobicContact CE2-CE 3.97Å; F71-M127 HydrophobicContact CZ-CE 4.04Å
72S98.8Very high96.1Very high5 Ų573.5 Ų73.54%0.03535%0.353CS..EExtended strand (participates in β ladder)trans-129.7148.6172.6620000111.3V48 I88 K89V48-S72 CarbonylContact O-C 3.6Å; V48-S72 WeakPolarHBondContact O-CA 3.12Å; V48-S72 WeakPolarHBondContact O-CB 3.33Å; S72-I88 WeakPolarHBondContact O-CA 3.36Å; S72-K89 PolarHBondContact N-O 3.5Å; S72-K89 PolarHBondContact O-N 3.2Å
73L98.7Very high96.2Very high2 Ų269.8 Ų69.81%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-109.3134.4167.4-63.3175.2000109.2L16 V48 F50 F71 F86 E87 I88 L112L16-L73 HydrophobicContact CD2-CD1 3.44Å; L16-L73 VanDerWaalsContact CD2-CD1 3.44Å; V48-L73 HydrophobicContact CB-CB 4.34Å; V48-L73 PolarHBondContact N-O 2.69Å; V48-L73 PolarHBondContact O-N 3.07Å; F50-L73 HydrophobicContact CE2-CB 4.45Å; F50-L73 HydrophobicContact CE2-CD1 3.71Å; F50-L73 HydrophobicContact CE2-CG 3.87Å; F50-L73 HydrophobicContact CZ-CD1 3.88Å; F71-L73 HydrophobicContact CE2-CG 4.31Å; L73-F86 HydrophobicContact CB-CD1 4.49Å; L73-E87 WeakPolarHBondContact CA-O 3.44Å; L73-I88 HydrophobicContact CD2-CB 3.72Å; L73-I88 HydrophobicContact CD2-CD1 4Å; L73-I88 HydrophobicContact CD2-CG1 3.74Å; L73-L112 HydrophobicContact CD2-CD1 3.65Å
74Q97.9Very high96.4Very high82 Ų8268.5 Ų68.538%0.38333%0.33SS..EExtended strand (participates in β ladder)trans-129.3136.3175177.4173.50.100108.8V47 E87V47-Q74 HydrophobicContact CG2-CB 4.35Å; V47-Q74 HydrophobicContact CG2-CG 4.18Å; Q74-E87 PolarHBondContact N-O 3.39Å; Q74-E87 PolarHBondContact O-N 3.21Å
75L97.2Very high96.6Very high12 Ų1259.8 Ų59.86%0.06329%0.293CS..EExtended strand (participates in β ladder)trans-85.1148.5176.4-71.582.1000110.9L84 S85 F86 F138L75-L84 HydrophobicContact CD2-CB 4.1Å; L75-L84 HydrophobicContact CD2-CD1 3.73Å; L75-L84 HydrophobicContact CD2-CG 4.33Å; L75-S85 CarbonylContact C-O 3.54Å; L75-S85 VanDerWaalsContact CA-O 3.31Å; L75-S85 WeakPolarHBondContact CA-O 3.44Å; L75-F86 HydrophobicContact CD1-CD1 3.9Å; L75-F86 HydrophobicContact CD1-CE1 3.56Å; L75-F86 HydrophobicContact CD1-CZ 4.44Å; L75-F86 HydrophobicContact CD2-CE1 3.89Å; L75-F86 HydrophobicContact CD2-CZ 3.96Å; L75-F86 HydrophobicContact CG-CD1 3.85Å; L75-F86 HydrophobicContact CG-CE1 3.6Å; L75-F86 HydrophobicContact CG-CZ 4.14Å; L75-F138 HydrophobicContact CD1-CD1 3.63Å; L75-F138 HydrophobicContact CD1-CD2 4.03Å; L75-F138 HydrophobicContact CD1-CE1 3.37Å; L75-F138 HydrophobicContact CD1-CE2 3.79Å; L75-F138 HydrophobicContact CD1-CG 3.95Å; L75-F138 HydrophobicContact CD1-CZ 3.47Å; L75-F138 VanDerWaalsContact CD1-CZ 3.47Å; L75-F138 HydrophobicContact CD2-CB 3.49Å; L75-F138 VanDerWaalsContact CD2-CB 3.49Å; L75-F138 HydrophobicContact CD2-CD1 3.42Å; L75-F138 VanDerWaalsContact CD2-CD1 3.42Å; L75-F138 HydrophobicContact CD2-CD2 4Å; L75-F138 HydrophobicContact CD2-CE1 4.1Å; L75-F138 HydrophobicContact CD2-CG 3.36Å; L75-F138 HydrophobicContact CG-CD1 4.18Å; L75-F138 HydrophobicContact CG-CE1 4.38Å; L75-F138 HydrophobicContact CG-CG 4.29Å
76F96.9Very high96.8Very high56 Ų5654.1 Ų54.125%0.24627%0.267CS..EExtended strand (participates in β ladder)trans-154164.3171.873-76.8000109.7K78 S85 E87 D111F76-K78 HydrophobicContact CD2-CG 4.37Å; F76-K78 HydrophobicContact CE2-CG 3.48Å; F76-K78 VanDerWaalsContact CE2-CG 3.48Å; F76-K78 HydrophobicContact CZ-CG 4Å; F76-S85 WeakPolarHBondContact CD1-O 3.26Å; F76-S85 PolarHBondContact N-O 3.43Å; F76-S85 WeakPolarHBondContact O-CA 3.23Å; F76-S85 PolarHBondContact O-N 2.77Å; F76-E87 HydrophobicContact CD1-CB 4.05Å; F76-E87 HydrophobicContact CE1-CB 3.99Å; F76-D111 HydrophobicContact CZ-CB 4.13Å; F76-D111 VanDerWaalsContact CZ-CG 3.41Å; F76-D111 WeakPolarHBondContact CZ-OD2 3.37Å
77K96.3Very high96.9Very high118 Ų11855.2 Ų55.251%0.51327%0.272SS..EExtended strand (participates in β ladder)trans-105.8124.6172.4-166.2173.274.7177.10109.1S81 L135K77-S81 VanDerWaalsContact CD-O 3.26Å; K77-S81 WeakPolarHBondContact CD-O 3.45Å; K77-S81 WeakPolarHBondContact CG-O 3.46Å; K77-L135 HydrophobicContact CD-CD1 4.13Å; K77-L135 HydrophobicContact CD-CD2 4.29Å
78K95Very high96.9Very high87 Ų8754.2 Ų54.238%0.37827%0.265SS..  trans-65.2150.5172-73.6178.7-178.21800109.7F76 N80 S81F76-K78 HydrophobicContact CD2-CG 4.37Å; F76-K78 HydrophobicContact CE2-CG 3.48Å; F76-K78 VanDerWaalsContact CE2-CG 3.48Å; F76-K78 HydrophobicContact CZ-CG 4Å; K78-N80 PolarHBondContact O-N 2.91Å; K78-S81 WeakPolarHBondContact O-CB 3.48Å; K78-S81 PolarHBondContact O-N 2.98Å; K78-S81 VanDerWaalsContact O-N 3.09Å
79F94.1Very high97Very high205 Ų20549 Ų4990%0.89925%0.247SC*.THydrogen-bonded Turntrans-55.7134.4171.8-67.1-72.2000109.7S81F79-S81 PolarHBondContact O-N 2.95Å
80N93.4Very high97Very high179 Ų17947.8 Ų47.896%0.95724%0.239SC*.THydrogen-bonded Turntrans60.917-178.1-49.7-33.1000115.4K78K78-N80 PolarHBondContact O-N 2.91Å
81S94.1Very high97Very high34 Ų3450.4 Ų50.424%0.23825%0.252CS..  trans-100142.3170.7-173.50000110.6K77 K78 F79 V83K77-S81 VanDerWaalsContact CD-O 3.26Å; K77-S81 WeakPolarHBondContact CD-O 3.45Å; K77-S81 WeakPolarHBondContact CG-O 3.46Å; K78-S81 WeakPolarHBondContact O-CB 3.48Å; K78-S81 PolarHBondContact O-N 2.98Å; K78-S81 VanDerWaalsContact O-N 3.09Å; F79-S81 PolarHBondContact O-N 2.95Å; S81-V83 WeakPolarHBondContact OG-CG2 3.5Å; S81-V83 PolarHBondContact OG-N 2.96Å; S81-V83 PolarHBondContact OG-O 2.89Å
82S93.6Very high97Very high97 Ų9750.4 Ų50.468%0.67825%0.252SS*.SBendtrans-91.7-5172.252.90000113.3
83V95.7Very high96.9Very high19 Ų1958 Ų5812%0.11528%0.284CS..SBendtrans-119.6157.3-174.2-60.70000111.7S81 D131S81-V83 WeakPolarHBondContact OG-CG2 3.5Å; S81-V83 PolarHBondContact OG-N 2.96Å; S81-V83 PolarHBondContact OG-O 2.89Å; V83-D131 HydrophobicContact CG1-CB 4.04Å
84L96.4Very high96.8Very high8 Ų863.8 Ų63.84%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-72.6147.6175.6-66.6167.6000111.5T14 L75 K129 S134 L135 F138T14-L84 HydrophobicContact CG2-CB 4.3Å; L75-L84 HydrophobicContact CD2-CB 4.1Å; L75-L84 HydrophobicContact CD2-CD1 3.73Å; L75-L84 HydrophobicContact CD2-CG 4.33Å; L84-K129 PolarHBondContact O-NZ 2.79Å; L84-S134 WeakPolarHBondContact CD1-O 3.3Å; L84-L135 HydrophobicContact CD2-CD2 4.07Å; L84-L135 HydrophobicContact CG-CD2 3.96Å; L84-F138 HydrophobicContact CD1-CB 4.49Å
85S97.7Very high96.8Very high8 Ų861.5 Ų61.56%0.05630%0.301CS..EExtended strand (participates in β ladder)trans-125.7156.4173.6-66.40000109.5L75 F76L75-S85 CarbonylContact C-O 3.54Å; L75-S85 VanDerWaalsContact CA-O 3.31Å; L75-S85 WeakPolarHBondContact CA-O 3.44Å; F76-S85 WeakPolarHBondContact CD1-O 3.26Å; F76-S85 PolarHBondContact N-O 3.43Å; F76-S85 WeakPolarHBondContact O-CA 3.23Å; F76-S85 PolarHBondContact O-N 2.77Å
86F98.4Very high96.8Very high4 Ų464.4 Ų64.42%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-110.1134179.9-66.5-93.4000110.4T14 L16 L73 L75 L112 K129 F138T14-F86 HydrophobicContact CG2-CE2 4.01Å; T14-F86 HydrophobicContact CG2-CZ 4.42Å; L16-F86 HydrophobicContact CB-CE1 4.2Å; L16-F86 HydrophobicContact CB-CE2 4.08Å; L16-F86 HydrophobicContact CB-CZ 3.74Å; L16-F86 HydrophobicContact CD1-CD2 4.38Å; L16-F86 HydrophobicContact CD1-CE2 4.36Å; L16-F86 HydrophobicContact CD2-CD1 4.14Å; L16-F86 HydrophobicContact CD2-CE1 4.06Å; L16-F86 HydrophobicContact CD2-CG 4.48Å; L16-F86 HydrophobicContact CD2-CZ 4.36Å; L73-F86 HydrophobicContact CB-CD1 4.49Å; L75-F86 HydrophobicContact CD1-CD1 3.9Å; L75-F86 HydrophobicContact CD1-CE1 3.56Å; L75-F86 HydrophobicContact CD1-CZ 4.44Å; L75-F86 HydrophobicContact CD2-CE1 3.89Å; L75-F86 HydrophobicContact CD2-CZ 3.96Å; L75-F86 HydrophobicContact CG-CD1 3.85Å; L75-F86 HydrophobicContact CG-CE1 3.6Å; L75-F86 HydrophobicContact CG-CZ 4.14Å; F86-L112 HydrophobicContact CB-CB 4.24Å; F86-L112 HydrophobicContact CB-CD1 3.93Å; F86-L112 HydrophobicContact CB-CG 4.35Å; F86-L112 WeakPolarHBondContact O-CB 3.13Å; F86-L112 PolarHBondContact O-N 3.19Å; F86-K129 HydrophobicContact CD2-CD 3.86Å; F86-K129 HydrophobicContact CD2-CG 4.35Å; F86-K129 HydrophobicContact CE2-CD 3.95Å; F86-K129 HydrophobicContact CE2-CG 4.07Å; F86-F138 AromaticContact CE1-CD2 3.78Å; F86-F138 HydrophobicContact CE1-CD2 3.78Å; F86-F138 AromaticContact CE1-CE2 3.95Å; F86-F138 HydrophobicContact CE1-CE2 3.95Å; F86-F138 AromaticContact CZ-CD2 3.85Å; F86-F138 HydrophobicContact CZ-CD2 3.85Å; F86-F138 HydrophobicContact CZ-CE2 4.46Å; F86-F138 HydrophobicContact CZ-CG 4.45Å
87E98.7Very high96.9Very high29 Ų2961.7 Ų61.714%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-103.6128.5166178.3176.290.100108.2L73 Q74 F76 K109L73-E87 WeakPolarHBondContact CA-O 3.44Å; Q74-E87 PolarHBondContact N-O 3.39Å; Q74-E87 PolarHBondContact O-N 3.21Å; F76-E87 HydrophobicContact CD1-CB 4.05Å; F76-E87 HydrophobicContact CE1-CB 3.99Å; E87-K109 HydrophobicContact CG-CB 4.19Å; E87-K109 HydrophobicContact CG-CG 4.45Å; E87-K109 WeakPolarHBondContact OE1-CD 3.5Å; E87-K109 IonicContact OE1-NZ 2.65Å; E87-K109 PolarHBondContact OE1-NZ 3.27Å; E87-K109 WeakPolarHBondContact OE2-CE 3.31Å; E87-K109 IonicContact OE2-NZ 3.7Å; E87-K109 PolarHBondContact OE2-NZ 2.71Å
88I98.8Very high97Very high0 Ų058.2 Ų58.20%029%0.291CS..EExtended strand (participates in β ladder)trans-101138.7172.8-166.2165.5000110.1F71 S72 L73 L97 V99 L104 K109 M110 L112 V118F71-I88 HydrophobicContact CD2-CD1 3.85Å; F71-I88 HydrophobicContact CD2-CG1 3.99Å; F71-I88 HydrophobicContact CE2-CD1 4.21Å; F71-I88 HydrophobicContact CG-CD1 4.44Å; S72-I88 WeakPolarHBondContact O-CA 3.36Å; L73-I88 HydrophobicContact CD2-CB 3.72Å; L73-I88 HydrophobicContact CD2-CD1 4Å; L73-I88 HydrophobicContact CD2-CG1 3.74Å; I88-L97 HydrophobicContact CD1-CD2 3.66Å; I88-L97 HydrophobicContact CG1-CD2 3.79Å; I88-V99 HydrophobicContact CD1-CG2 4.46Å; I88-V99 HydrophobicContact CG2-CG2 3.92Å; I88-L104 HydrophobicContact CG2-CD1 4.05Å; I88-K109 CarbonylContact O-C 3.47Å; I88-K109 WeakPolarHBondContact O-CA 3.3Å; I88-K109 WeakPolarHBondContact O-CB 3.46Å; I88-M110 HydrophobicContact CG2-CG 3.79Å; I88-M110 PolarHBondContact N-O 2.57Å; I88-M110 PolarHBondContact O-N 3.04Å; I88-L112 HydrophobicContact CB-CD1 4.24Å; I88-L112 HydrophobicContact CB-CD2 3.81Å; I88-L112 HydrophobicContact CB-CG 3.96Å; I88-L112 HydrophobicContact CD1-CD2 4.35Å; I88-L112 HydrophobicContact CG2-CD2 3.4Å; I88-L112 HydrophobicContact CG2-CG 3.98Å; I88-V118 HydrophobicContact CD1-CG1 3.87Å; I88-V118 HydrophobicContact CD1-CG2 4.04Å
89K98.9Very high97.1Very high57 Ų5754.1 Ų54.125%0.24827%0.274CS..EExtended strand (participates in β ladder)trans-133.5128.7177-177.7170.763-1650110.8F71 S72 M91 N108 K109F71-K89 CarbonylContact C-O 3.6Å; F71-K89 VanDerWaalsContact CA-O 3.23Å; F71-K89 WeakPolarHBondContact CA-O 3.27Å; F71-K89 WeakPolarHBondContact CB-O 3.42Å; S72-K89 PolarHBondContact N-O 3.5Å; S72-K89 PolarHBondContact O-N 3.2Å; K89-M91 HydrophobicContact CD-SD 4.11Å; K89-M91 WeakPolarHBondContact CE-SD 3.42Å; K89-M91 HydrophobicContact CG-SD 3.96Å; K89-N108 WeakPolarHBondContact CA-O 3.42Å; K89-K109 HydrophobicContact CB-CB 3.89Å; K89-K109 HydrophobicContact CD-CB 4.41Å; K89-K109 HydrophobicContact CG-CB 4.03Å
90N98.8Very high97.3Very high0 Ų047.7 Ų47.70%025%0.249CC..EExtended strand (participates in β ladder)trans-74.3128.8174.1-175.69.6000110.3Q70 S92 T95 L97 L104 G105 L107 N108Q70-N90 PolarHBondContact O-OD1 3.23Å; N90-S92 WeakPolarHBondContact OD1-CB 3.23Å; N90-S92 PolarHBondContact OD1-N 3.01Å; N90-T95 PolarHBondContact ND2-O 2.82Å; N90-L97 HydrophobicContact CB-CB 3.86Å; N90-L97 HydrophobicContact CB-CD2 4.21Å; N90-L97 PolarHBondContact ND2-N 3.27Å; N90-L104 HydrophobicContact CB-CB 4.23Å; N90-L104 PolarHBondContact ND2-O 2.95Å; N90-G105 WeakPolarHBondContact CB-O 3.4Å; N90-G105 PolarHBondContact ND2-O 2.82Å; N90-L107 VanDerWaalsContact O-CA 3.25Å; N90-L107 WeakPolarHBondContact O-CA 3.38Å; N90-L107 PolarHBondContact O-N 2.98Å; N90-N108 PolarHBondContact N-O 2.92Å
91M98.7Very high97.3Very high56 Ų5644.9 Ų44.928%0.27624%0.243SC..  trans-110.2-3.7179.1-58-56-65.200112.4V69 Q70 K89 Y106 L107V69-M91 HydrophobicContact CB-CB 3.93Å; V69-M91 HydrophobicContact CG1-CB 3.67Å; V69-M91 HydrophobicContact CG1-CG 3.79Å; V69-M91 CarbonylContact O-C 3.58Å; Q70-M91 PolarHBondContact O-N 3.09Å; K89-M91 HydrophobicContact CD-SD 4.11Å; K89-M91 WeakPolarHBondContact CE-SD 3.42Å; K89-M91 HydrophobicContact CG-SD 3.96Å; M91-Y106 WeakPolarHBondContact O-CE2 3.15Å; M91-L107 HydrophobicContact CE-CD2 4.15Å; M91-L107 HydrophobicContact SD-CD2 4.15Å
92S98.4Very high97.5Very high0 Ų050.1 Ų50.10%026%0.257CS..  trans-87128.7179.6-174.30000111.4S67 Q70 N90 K94 T95 Y106S67-S92 WeakPolarHBondContact OG-CB 3.45Å; S67-S92 PolarHBondContact OG-OG 3.2Å; Q70-S92 PolarHBondContact O-N 3.34Å; N90-S92 WeakPolarHBondContact OD1-CB 3.23Å; N90-S92 PolarHBondContact OD1-N 3.01Å; S92-K94 PolarHBondContact OG-N 3.1Å; S92-T95 WeakPolarHBondContact CB-O 3.3Å; S92-T95 PolarHBondContact OG-N 2.94Å; S92-T95 PolarHBondContact OG-O 2.87Å; S92-T95 PolarHBondContact OG-OG1 2.92Å; S92-Y106 WeakPolarHBondContact O-CD2 3.43Å
93K97.9Very high97.7Very high165 Ų16551 Ų5172%0.71725%0.251SS*.SBendtrans-83.1-16.7166.2-67.9-176.7177.8-176.20112.8Y106K93-Y106 HydrophobicContact CB-CD2 4.4Å; K93-Y106 HydrophobicContact CB-CG 4.49Å; K93-Y106 HydrophobicContact CD-CD1 4.44Å; K93-Y106 HydrophobicContact CD-CE1 4.18Å; K93-Y106 HydrophobicContact CD-CE2 4.44Å; K93-Y106 WeakPolarHBondContact CE-OH 3.32Å; K93-Y106 HydrophobicContact CG-CD1 3.8Å; K93-Y106 HydrophobicContact CG-CD2 3.5Å; K93-Y106 HydrophobicContact CG-CE1 3.88Å; K93-Y106 HydrophobicContact CG-CE2 3.59Å; K93-Y106 HydrophobicContact CG-CG 3.6Å
94K96Very high97.8Very high124 Ų12450.2 Ų50.254%0.53925%0.246SC..SBendtrans-92.3-39.3-170.5-177.6-170.5169.9-166.60112Q65 S92Q65-K94 PolarHBondContact O-NZ 2.86Å; S92-K94 PolarHBondContact OG-N 3.1Å
95T96.7Very high97.9Very high34 Ų3450.7 Ų50.721%0.20925%0.253CS..SBendtrans-131.4133.9-17046.60000109Q70 N90 S92Q70-T95 PolarHBondContact NE2-OG1 2.81Å; Q70-T95 PolarHBondContact OE1-OG1 3.01Å; N90-T95 PolarHBondContact ND2-O 2.82Å; S92-T95 WeakPolarHBondContact CB-O 3.3Å; S92-T95 PolarHBondContact OG-N 2.94Å; S92-T95 PolarHBondContact OG-O 2.87Å; S92-T95 PolarHBondContact OG-OG1 2.92Å
96N97.9Very high98Very high72 Ų7255.1 Ų55.139%0.38527%0.269SS..  trans-74.4151.3172.7-63.6-33.2000109.9E103N96-E103 HydrophobicContact CB-CG 3.62Å; N96-E103 WeakPolarHBondContact CB-OE1 3.42Å; N96-E103 PolarHBondContact ND2-OE1 2.65Å
97L98.7Very high98Very high0 Ų058.9 Ų58.90%029%0.289CS..EExtended strand (participates in β ladder)trans-104.3126.4174.1-174.570.9000107.3F71 I88 N90 L104 V118 F120F71-L97 HydrophobicContact CB-CD1 4.44Å; F71-L97 HydrophobicContact CB-CD2 3.68Å; F71-L97 HydrophobicContact CD1-CD1 4.06Å; F71-L97 HydrophobicContact CG-CD1 4.37Å; F71-L97 HydrophobicContact CG-CD2 4.16Å; I88-L97 HydrophobicContact CD1-CD2 3.66Å; I88-L97 HydrophobicContact CG1-CD2 3.79Å; N90-L97 HydrophobicContact CB-CB 3.86Å; N90-L97 HydrophobicContact CB-CD2 4.21Å; N90-L97 PolarHBondContact ND2-N 3.27Å; L97-L104 HydrophobicContact CB-CB 4.3Å; L97-L104 HydrophobicContact CD2-CD1 4.33Å; L97-L104 PolarHBondContact N-O 2.79Å; L97-L104 WeakPolarHBondContact O-CA 3.38Å; L97-L104 WeakPolarHBondContact O-CB 3.44Å; L97-L104 PolarHBondContact O-N 2.91Å; L97-V118 HydrophobicContact CD1-CG1 3.59Å; L97-V118 HydrophobicContact CG-CG1 4.12Å; L97-F120 HydrophobicContact CD1-CB 4.06Å; L97-F120 HydrophobicContact CD1-CD1 3.81Å; L97-F120 HydrophobicContact CD1-CG 4.32Å
98I98.6Very high98Very high44 Ų4461.7 Ų61.723%0.22631%0.305CS..EExtended strand (participates in β ladder)trans-106.4125.7179.9-56.5161.8000107.5D100 R102 E103 V118 R119I98-D100 WeakPolarHBondContact CG2-O 3.08Å; I98-R102 CarbonylContact C-O 3.56Å; I98-R102 WeakPolarHBondContact CA-O 3.33Å; I98-E103 HydrophobicContact CG1-CG 4.49Å; I98-V118 CarbonylContact O-C 3.59Å; I98-V118 VanDerWaalsContact O-CA 3.29Å; I98-V118 WeakPolarHBondContact O-CA 3.4Å; I98-R119 HydrophobicContact CB-CB 4.34Å; I98-R119 PolarHBondContact N-O 3.23Å; I98-R119 PolarHBondContact O-N 2.82Å
99V98.3Very high98Very high1 Ų167 Ų671%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-113.8111.2173.3-175.40000106.8I88 S101 R102 L104 M110 L112 C116 M117 V118I88-V99 HydrophobicContact CD1-CG2 4.46Å; I88-V99 HydrophobicContact CG2-CG2 3.92Å; V99-S101 PolarHBondContact O-N 2.87Å; V99-R102 PolarHBondContact N-O 2.89Å; V99-R102 WeakPolarHBondContact O-CB 3.48Å; V99-R102 PolarHBondContact O-N 3.1Å; V99-L104 HydrophobicContact CG2-CD1 3.71Å; V99-L104 HydrophobicContact CG2-CG 4.42Å; V99-M110 HydrophobicContact CB-CE 4.35Å; V99-M110 HydrophobicContact CB-SD 3.7Å; V99-M110 HydrophobicContact CG1-CE 3.98Å; V99-M110 HydrophobicContact CG1-SD 3.93Å; V99-M110 HydrophobicContact CG2-SD 4Å; V99-L112 HydrophobicContact CG1-CD2 3.91Å; V99-C116 HydrophobicContact CG1-CB 4.15Å; V99-M117 CarbonylContact C-O 3.47Å; V99-V118 HydrophobicContact CG1-CG2 4.32Å; V99-V118 HydrophobicContact CG2-CG2 4.26Å
100D96.6Very high97.9Very high70 Ų7065.8 Ų65.837%0.37432%0.324SS..THydrogen-bonded Turntrans54.4-102.2-164.9-57.4-42.6000111.8I98 C116 M117 R119I98-D100 WeakPolarHBondContact CG2-O 3.08Å; D100-C116 VanDerWaalsContact OD1-CA 3.26Å; D100-C116 WeakPolarHBondContact OD1-CA 3.38Å; D100-C116 WeakPolarHBondContact OD1-CB 3.48Å; D100-C116 WeakPolarHBondContact OD2-CB 3.44Å; D100-M117 PolarHBondContact N-O 3.09Å; D100-M117 PolarHBondContact OD1-N 2.89Å; D100-R119 PolarHBondContact O-NH2 3.34Å
101S93.9Very high97.9Very high120 Ų12069.1 Ų69.184%0.83934%0.341SS*.THydrogen-bonded Turntrans-107.5-5.7175.959.30000113.4V99V99-S101 PolarHBondContact O-N 2.87Å
102R97.8Very high97.9Very high144 Ų14467 Ų6754%0.54333%0.331SS..EExtended strand (participates in β ladder)trans-93.1125.7-175.4-170.8175.8-175.5-168.12.2111.3I98 V99I98-R102 CarbonylContact C-O 3.56Å; I98-R102 WeakPolarHBondContact CA-O 3.33Å; V99-R102 PolarHBondContact N-O 2.89Å; V99-R102 WeakPolarHBondContact O-CB 3.48Å; V99-R102 PolarHBondContact O-N 3.1Å
103E98.3Very high97.8Very high116 Ų11669.6 Ų69.654%0.54235%0.348SS..EExtended strand (participates in β ladder)trans-88.6132.6176-167.7171.8-153.500111.7N96 I98N96-E103 HydrophobicContact CB-CG 3.62Å; N96-E103 WeakPolarHBondContact CB-OE1 3.42Å; N96-E103 PolarHBondContact ND2-OE1 2.65Å; I98-E103 HydrophobicContact CG1-CG 4.49Å
104L98.6Very high97.8Very high2 Ų267.5 Ų67.51%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-114.3108.7175.7-55.4178.7000108.6I88 N90 L97 V99 N108 M110I88-L104 HydrophobicContact CG2-CD1 4.05Å; N90-L104 HydrophobicContact CB-CB 4.23Å; N90-L104 PolarHBondContact ND2-O 2.95Å; L97-L104 HydrophobicContact CB-CB 4.3Å; L97-L104 HydrophobicContact CD2-CD1 4.33Å; L97-L104 PolarHBondContact N-O 2.79Å; L97-L104 WeakPolarHBondContact O-CA 3.38Å; L97-L104 WeakPolarHBondContact O-CB 3.44Å; L97-L104 PolarHBondContact O-N 2.91Å; V99-L104 HydrophobicContact CG2-CD1 3.71Å; V99-L104 HydrophobicContact CG2-CG 4.42Å; L104-N108 HydrophobicContact CB-CB 4.05Å; L104-N108 HydrophobicContact CD2-CB 4.2Å; L104-M110 HydrophobicContact CD1-CG 3.91Å; L104-M110 HydrophobicContact CD1-SD 4.11Å; L104-M110 HydrophobicContact CD2-CG 4.28Å; L104-M110 HydrophobicContact CD2-SD 4.09Å; L104-M110 HydrophobicContact CG-SD 4.42Å
105G98.6Very high97.9Very high18 Ų1868.5 Ų68.519%0.18634%0.337CS..  trans-70.1-175.6168.500000112.7N90 L107 N108N90-G105 WeakPolarHBondContact CB-O 3.4Å; N90-G105 PolarHBondContact ND2-O 2.82Å; G105-L107 PolarHBondContact O-N 2.99Å; G105-N108 PolarHBondContact N-ND2 3.3Å; G105-N108 WeakPolarHBondContact O-CB 3.38Å; G105-N108 PolarHBondContact O-N 3.26Å; G105-N108 VanDerWaalsContact O-N 3.09Å
106Y98.6Very high97.9Very high101 Ų10167 Ų6740%0.39633%0.328SS..THydrogen-bonded Turntrans-56.3127.8-178.4179.3-121.5000112.5M91 S92 K93 N108M91-Y106 WeakPolarHBondContact O-CE2 3.15Å; S92-Y106 WeakPolarHBondContact O-CD2 3.43Å; K93-Y106 HydrophobicContact CB-CD2 4.4Å; K93-Y106 HydrophobicContact CB-CG 4.49Å; K93-Y106 HydrophobicContact CD-CD1 4.44Å; K93-Y106 HydrophobicContact CD-CE1 4.18Å; K93-Y106 HydrophobicContact CD-CE2 4.44Å; K93-Y106 WeakPolarHBondContact CE-OH 3.32Å; K93-Y106 HydrophobicContact CG-CD1 3.8Å; K93-Y106 HydrophobicContact CG-CD2 3.5Å; K93-Y106 HydrophobicContact CG-CE1 3.88Å; K93-Y106 HydrophobicContact CG-CE2 3.59Å; K93-Y106 HydrophobicContact CG-CG 3.6Å; Y106-N108 PolarHBondContact O-N 3.43Å; Y106-N108 VanDerWaalsContact O-N 3.16Å
107L98.6Very high98Very high84 Ų8464.8 Ų64.844%0.4432%0.315SS..THydrogen-bonded Turntrans650.8-177.8-55.6176.4000115.9N90 M91 G105N90-L107 VanDerWaalsContact O-CA 3.25Å; N90-L107 WeakPolarHBondContact O-CA 3.38Å; N90-L107 PolarHBondContact O-N 2.98Å; M91-L107 HydrophobicContact CE-CD2 4.15Å; M91-L107 HydrophobicContact SD-CD2 4.15Å; G105-L107 PolarHBondContact O-N 2.99Å
108N98.7Very high97.9Very high88 Ų8864.8 Ų64.847%0.47132%0.315SS..  trans-68142.6170-70.1-2.4000109.7K89 N90 L104 G105 Y106K89-N108 WeakPolarHBondContact CA-O 3.42Å; N90-N108 PolarHBondContact N-O 2.92Å; L104-N108 HydrophobicContact CB-CB 4.05Å; L104-N108 HydrophobicContact CD2-CB 4.2Å; G105-N108 PolarHBondContact N-ND2 3.3Å; G105-N108 WeakPolarHBondContact O-CB 3.38Å; G105-N108 PolarHBondContact O-N 3.26Å; G105-N108 VanDerWaalsContact O-N 3.09Å; Y106-N108 PolarHBondContact O-N 3.43Å; Y106-N108 VanDerWaalsContact O-N 3.16Å
109K98.6Very high97.9Very high111 Ų11166.2 Ų66.248%0.48332%0.318SS..EExtended strand (participates in β ladder)trans-135.1157-177.673-159.7-166.3106.90111.5E87 I88 K89E87-K109 HydrophobicContact CG-CB 4.19Å; E87-K109 HydrophobicContact CG-CG 4.45Å; E87-K109 WeakPolarHBondContact OE1-CD 3.5Å; E87-K109 IonicContact OE1-NZ 2.65Å; E87-K109 PolarHBondContact OE1-NZ 3.27Å; E87-K109 WeakPolarHBondContact OE2-CE 3.31Å; E87-K109 IonicContact OE2-NZ 3.7Å; E87-K109 PolarHBondContact OE2-NZ 2.71Å; I88-K109 CarbonylContact O-C 3.47Å; I88-K109 WeakPolarHBondContact O-CA 3.3Å; I88-K109 WeakPolarHBondContact O-CB 3.46Å; K89-K109 HydrophobicContact CB-CB 3.89Å; K89-K109 HydrophobicContact CD-CB 4.41Å; K89-K109 HydrophobicContact CG-CB 4.03Å
110M98.4Very high97.9Very high31 Ų3166.5 Ų66.515%0.15332%0.319CS..EExtended strand (participates in β ladder)trans-155.1155.5170.266.6-178-80.700111.1I88 V99 L104I88-M110 HydrophobicContact CG2-CG 3.79Å; I88-M110 PolarHBondContact N-O 2.57Å; I88-M110 PolarHBondContact O-N 3.04Å; V99-M110 HydrophobicContact CB-CE 4.35Å; V99-M110 HydrophobicContact CB-SD 3.7Å; V99-M110 HydrophobicContact CG1-CE 3.98Å; V99-M110 HydrophobicContact CG1-SD 3.93Å; V99-M110 HydrophobicContact CG2-SD 4Å; L104-M110 HydrophobicContact CD1-CG 3.91Å; L104-M110 HydrophobicContact CD1-SD 4.11Å; L104-M110 HydrophobicContact CD2-CG 4.28Å; L104-M110 HydrophobicContact CD2-SD 4.09Å; L104-M110 HydrophobicContact CG-SD 4.42Å
111D98.3Very high97.9Very high70 Ų7066.2 Ų66.237%0.37433%0.333SS..EExtended strand (participates in β ladder)trans-65.7132.5167.7-61.49.7000109.5F76F76-D111 HydrophobicContact CZ-CB 4.13Å; F76-D111 VanDerWaalsContact CZ-CG 3.41Å; F76-D111 WeakPolarHBondContact CZ-OD2 3.37Å
112L97.9Very high98Very high11 Ų1166.3 Ų66.36%0.05832%0.32CS..  trans-76.4137.9172.2-69.5-175000110.5L73 F86 I88 V99 M127L73-L112 HydrophobicContact CD2-CD1 3.65Å; F86-L112 HydrophobicContact CB-CB 4.24Å; F86-L112 HydrophobicContact CB-CD1 3.93Å; F86-L112 HydrophobicContact CB-CG 4.35Å; F86-L112 WeakPolarHBondContact O-CB 3.13Å; F86-L112 PolarHBondContact O-N 3.19Å; I88-L112 HydrophobicContact CB-CD1 4.24Å; I88-L112 HydrophobicContact CB-CD2 3.81Å; I88-L112 HydrophobicContact CB-CG 3.96Å; I88-L112 HydrophobicContact CD1-CD2 4.35Å; I88-L112 HydrophobicContact CG2-CD2 3.4Å; I88-L112 HydrophobicContact CG2-CG 3.98Å; V99-L112 HydrophobicContact CG1-CD2 3.91Å; L112-M127 HydrophobicContact CD1-SD 3.94Å
113P97.1Very high98Very high55 Ų5559.8 Ų59.836%0.35730%0.295SS..  trans-71.6176164.734.8-37.1000110.6R115 C116P113-R115 VanDerWaalsContact C-N 3.25Å; P113-R115 WeakPolarHBondContact CG-O 3.43Å; P113-R115 PolarHBondContact O-N 2.92Å; P113-C116 HydrophobicContact CG-CB 3.58Å
114Y97.3Very high98Very high122 Ų12255.2 Ų55.248%0.47827%0.274SS..SBendtrans-60.4-34.8177.2-89.3-99.5000113.2E128 K129 D131Y114-E128 CarbonylContact O-C 3.5Å; Y114-E128 WeakPolarHBondContact O-CA 3.18Å; Y114-K129 HydrophobicContact CD1-CB 4.37Å; Y114-K129 PolarHBondContact O-N 3.39Å; Y114-K129 PolarHBondContact OH-NZ 2.83Å; Y114-D131 VanDerWaalsContact CE1-OD1 3.31Å; Y114-D131 WeakPolarHBondContact CE1-OD1 3.48Å; Y114-D131 WeakPolarHBondContact CE1-OD2 3.41Å; Y114-D131 VanDerWaalsContact OH-CG 3.28Å; Y114-D131 PolarHBondContact OH-OD1 2.77Å; Y114-D131 PolarHBondContact OH-OD2 3.02Å
115R98Very high98Very high145 Ų14555.1 Ų55.155%0.54727%0.273SS..EExtended strand (participates in β ladder)trans-139.1127.5178.1-177.9169.7-173.6-154.8-3.3109.2P113 L126 M127 E128P113-R115 VanDerWaalsContact C-N 3.25Å; P113-R115 WeakPolarHBondContact CG-O 3.43Å; P113-R115 PolarHBondContact O-N 2.92Å; R115-L126 HydrophobicContact CG-CD1 4.02Å; R115-M127 VanDerWaalsContact CA-O 3.27Å; R115-M127 WeakPolarHBondContact CA-O 3.28Å; R115-E128 HydrophobicContact CB-CG 4.33Å; R115-E128 WeakPolarHBondContact CD-OE1 3.46Å; R115-E128 HydrophobicContact CG-CG 3.8Å; R115-E128 IonicContact CZ-OE1 3.49Å; R115-E128 IonicContact NE-OE1 2.94Å; R115-E128 PolarHBondContact NE-OE1 3.11Å; R115-E128 IonicContact NH2-OE1 3.9Å
116C97.9Very high98Very high2 Ų255 Ų551%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-153.1160.117654.80000112.9V99 D100 P113 M127V99-C116 HydrophobicContact CG1-CB 4.15Å; D100-C116 VanDerWaalsContact OD1-CA 3.26Å; D100-C116 WeakPolarHBondContact OD1-CA 3.38Å; D100-C116 WeakPolarHBondContact OD1-CB 3.48Å; D100-C116 WeakPolarHBondContact OD2-CB 3.44Å; P113-C116 HydrophobicContact CG-CB 3.58Å; C116-M127 PolarHBondContact N-O 3.01Å; C116-M127 PolarHBondContact O-N 2.94Å
117M98.3Very high97.9Very high26 Ų2650.2 Ų50.213%0.12825%0.25CC..EExtended strand (participates in β ladder)trans-99111.3173-178.554.960.800110.3V99 D100 R119 Q124 F125 L126 L149 L150V99-M117 CarbonylContact C-O 3.47Å; D100-M117 PolarHBondContact N-O 3.09Å; D100-M117 PolarHBondContact OD1-N 2.89Å; M117-R119 HydrophobicContact CG-CG 3.93Å; M117-R119 HydrophobicContact SD-CG 4.18Å; M117-Q124 HydrophobicContact SD-CB 4.31Å; M117-F125 CarbonylContact C-O 3.59Å; M117-F125 WeakPolarHBondContact CA-O 3.5Å; M117-L126 HydrophobicContact CE-CB 4.01Å; M117-L126 HydrophobicContact CE-CD1 4.27Å; M117-L149 HydrophobicContact CE-CB 3.5Å; M117-L149 VanDerWaalsContact CE-CB 3.5Å; M117-L149 HydrophobicContact CE-CD1 4.23Å; M117-L149 HydrophobicContact SD-CB 4.32Å; M117-L149 HydrophobicContact SD-CD1 4.5Å; M117-L150 HydrophobicContact CG-CD2 4.37Å
118V98.6Very high97.9Very high0 Ų048.5 Ų48.50%024%0.239CC..EExtended strand (participates in β ladder)trans-100.1128.9174.9-179.80000110.1I88 L97 I98 V99 F125 M127I88-V118 HydrophobicContact CD1-CG1 3.87Å; I88-V118 HydrophobicContact CD1-CG2 4.04Å; L97-V118 HydrophobicContact CD1-CG1 3.59Å; L97-V118 HydrophobicContact CG-CG1 4.12Å; I98-V118 CarbonylContact O-C 3.59Å; I98-V118 VanDerWaalsContact O-CA 3.29Å; I98-V118 WeakPolarHBondContact O-CA 3.4Å; V99-V118 HydrophobicContact CG1-CG2 4.32Å; V99-V118 HydrophobicContact CG2-CG2 4.26Å; V118-F125 HydrophobicContact CB-CB 4.06Å; V118-F125 PolarHBondContact N-O 3.18Å; V118-F125 WeakPolarHBondContact O-CB 3.31Å; V118-F125 PolarHBondContact O-N 3.09Å; V118-M127 HydrophobicContact CB-CE 4.02Å; V118-M127 HydrophobicContact CB-SD 4.35Å; V118-M127 HydrophobicContact CG1-CE 4.27Å; V118-M127 HydrophobicContact CG2-CE 3.97Å; V118-M127 HydrophobicContact CG2-CG 4.17Å; V118-M127 HydrophobicContact CG2-SD 3.68Å
119R98.4Very high97.9Very high74 Ų7445.3 Ų45.328%0.27922%0.222SC..EExtended strand (participates in β ladder)trans-135.1143.9-176.7-60.8178.9-69.1145-4.4112.3I98 D100 M117 Y123 Q124I98-R119 HydrophobicContact CB-CB 4.34Å; I98-R119 PolarHBondContact N-O 3.23Å; I98-R119 PolarHBondContact O-N 2.82Å; D100-R119 PolarHBondContact O-NH2 3.34Å; M117-R119 HydrophobicContact CG-CG 3.93Å; M117-R119 HydrophobicContact SD-CG 4.18Å; R119-Y123 WeakPolarHBondContact CA-O 3.38Å; R119-Q124 HydrophobicContact CG-CG 4.47Å
120F98.2Very high97.9Very high6 Ų644.1 Ų44.13%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-154130.3166.760.5-85.4000109.2F61 V66 Q70 F71 L97 E122 Y123 F125F61-F120 HydrophobicContact CD2-CZ 4.32Å; F61-F120 AromaticContact CE2-CZ 3.96Å; F61-F120 HydrophobicContact CE2-CZ 3.96Å; V66-F120 HydrophobicContact CG1-CE2 4.5Å; V66-F120 HydrophobicContact CG2-CE2 4.13Å; Q70-F120 HydrophobicContact CG-CD1 4.08Å; Q70-F120 HydrophobicContact CG-CD2 3.6Å; Q70-F120 HydrophobicContact CG-CE1 4.13Å; Q70-F120 HydrophobicContact CG-CE2 3.67Å; Q70-F120 HydrophobicContact CG-CG 3.83Å; Q70-F120 HydrophobicContact CG-CZ 3.93Å; F71-F120 HydrophobicContact CD1-CD1 4.36Å; F71-F120 HydrophobicContact CD1-CE1 4.14Å; F71-F120 HydrophobicContact CE1-CD1 4.22Å; F71-F120 AromaticContact CE1-CE1 3.63Å; F71-F120 HydrophobicContact CE1-CE1 3.63Å; F71-F120 HydrophobicContact CE1-CZ 4.38Å; L97-F120 HydrophobicContact CD1-CB 4.06Å; L97-F120 HydrophobicContact CD1-CD1 3.81Å; L97-F120 HydrophobicContact CD1-CG 4.32Å; F120-E122 PolarHBondContact O-N 3.32Å; F120-Y123 AromaticContact CD2-CD2 3.92Å; F120-Y123 HydrophobicContact CD2-CD2 3.92Å; F120-Y123 HydrophobicContact CD2-CG 4.29Å; F120-Y123 HydrophobicContact CE1-CG 4.21Å; F120-Y123 HydrophobicContact CE2-CD1 4.28Å; F120-Y123 AromaticContact CE2-CD2 3.3Å; F120-Y123 HydrophobicContact CE2-CD2 3.3Å; F120-Y123 AromaticContact CE2-CE2 3.94Å; F120-Y123 HydrophobicContact CE2-CE2 3.94Å; F120-Y123 AromaticContact CE2-CG 3.53Å; F120-Y123 HydrophobicContact CE2-CG 3.53Å; F120-Y123 AromaticContact CZ-CD1 3.95Å; F120-Y123 HydrophobicContact CZ-CD1 3.95Å; F120-Y123 AromaticContact CZ-CD2 3.8Å; F120-Y123 HydrophobicContact CZ-CD2 3.8Å; F120-Y123 AromaticContact CZ-CG 3.48Å; F120-Y123 HydrophobicContact CZ-CG 3.48Å; F120-Y123 VanDerWaalsContact CZ-CG 3.48Å; F120-Y123 PolarHBondContact N-O 2.79Å; F120-Y123 WeakPolarHBondContact O-CB 3.47Å; F120-Y123 PolarHBondContact O-N 2.9Å; F120-F125 HydrophobicContact CE1-CD2 4.02Å; F120-F125 AromaticContact CE1-CE2 3.46Å; F120-F125 HydrophobicContact CE1-CE2 3.46Å; F120-F125 VanDerWaalsContact CE1-CE2 3.46Å; F120-F125 HydrophobicContact CE1-CZ 4.25Å; F120-F125 AromaticContact CZ-CE2 3.87Å; F120-F125 HydrophobicContact CZ-CE2 3.87Å; F120-F125 HydrophobicContact CZ-CZ 4.46Å
121G95.8Very high97.8Very high64 Ų6446 Ų4666%0.6623%0.228SC*.THydrogen-bonded Turntrans52.3-128-168.800000110.7
122E95.4Very high97.7Very high123 Ų12342.9 Ų42.958%0.57521%0.212SC*.THydrogen-bonded Turntrans-89.9-1.5179-59.7-55.6129.900113.9P23 F120P23-E122 WeakPolarHBondContact CD-O 3.42Å; P23-E122 HydrophobicContact CG-CB 3.96Å; P23-E122 HydrophobicContact CG-CG 4.42Å; F120-E122 PolarHBondContact O-N 3.32Å
123Y97.9Very high97.6Very high6 Ų647.8 Ų47.82%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-80.7138.6-179.8-69.4-99000111.4H22 M30 F31 F61 D63 V66 R119 F120 F125H22-Y123 HydrophobicContact CB-CD1 4.33Å; H22-Y123 HydrophobicContact CB-CE1 4.47Å; H22-Y123 AromaticContact CD2-CD1 3.9Å; H22-Y123 AromaticContact CD2-CD2 3.57Å; H22-Y123 AromaticContact CD2-CE1 3.85Å; H22-Y123 AromaticContact CD2-CE2 3.49Å; H22-Y123 VanDerWaalsContact CD2-CE2 3.49Å; H22-Y123 WeakPolarHBondContact CD2-CE2 3.48Å; H22-Y123 AromaticContact CD2-CG 3.75Å; H22-Y123 AromaticContact CD2-CZ 3.63Å; H22-Y123 AromaticContact NE2-CE2 3.76Å; M30-Y123 HydrophobicContact CG-CE1 4.5Å; M30-Y123 HydrophobicContact SD-CE1 4.31Å; F31-Y123 AromaticContact CE1-CD1 3.95Å; F31-Y123 HydrophobicContact CE1-CD1 3.95Å; F31-Y123 AromaticContact CE1-CE1 3.8Å; F31-Y123 HydrophobicContact CE1-CE1 3.8Å; F31-Y123 HydrophobicContact CZ-CD1 4.02Å; F31-Y123 HydrophobicContact CZ-CE1 4.07Å; F61-Y123 HydrophobicContact CB-CE1 4.45Å; F61-Y123 HydrophobicContact CD1-CE1 4.28Å; F61-Y123 HydrophobicContact CG-CE1 4.21Å; D63-Y123 WeakPolarHBondContact CB-OH 3.26Å; D63-Y123 VanDerWaalsContact OD2-CE2 3.29Å; D63-Y123 WeakPolarHBondContact OD2-CE2 3.29Å; D63-Y123 PolarHBondContact OD2-OH 3.35Å; V66-Y123 HydrophobicContact CG2-CD2 4.48Å; V66-Y123 HydrophobicContact CG2-CE2 3.63Å; R119-Y123 WeakPolarHBondContact CA-O 3.38Å; F120-Y123 AromaticContact CD2-CD2 3.92Å; F120-Y123 HydrophobicContact CD2-CD2 3.92Å; F120-Y123 HydrophobicContact CD2-CG 4.29Å; F120-Y123 HydrophobicContact CE1-CG 4.21Å; F120-Y123 HydrophobicContact CE2-CD1 4.28Å; F120-Y123 AromaticContact CE2-CD2 3.3Å; F120-Y123 HydrophobicContact CE2-CD2 3.3Å; F120-Y123 AromaticContact CE2-CE2 3.94Å; F120-Y123 HydrophobicContact CE2-CE2 3.94Å; F120-Y123 AromaticContact CE2-CG 3.53Å; F120-Y123 HydrophobicContact CE2-CG 3.53Å; F120-Y123 AromaticContact CZ-CD1 3.95Å; F120-Y123 HydrophobicContact CZ-CD1 3.95Å; F120-Y123 AromaticContact CZ-CD2 3.8Å; F120-Y123 HydrophobicContact CZ-CD2 3.8Å; F120-Y123 AromaticContact CZ-CG 3.48Å; F120-Y123 HydrophobicContact CZ-CG 3.48Å; F120-Y123 VanDerWaalsContact CZ-CG 3.48Å; F120-Y123 PolarHBondContact N-O 2.79Å; F120-Y123 WeakPolarHBondContact O-CB 3.47Å; F120-Y123 PolarHBondContact O-N 2.9Å; Y123-F125 HydrophobicContact CD1-CE2 4.13Å; Y123-F125 HydrophobicContact CG-CE2 4.37Å
124Q98Very high97.5Very high20 Ų2045.4 Ų45.49%0.09322%0.22CC..EExtended strand (participates in β ladder)trans-127.9132.8176.1-55.2175.97.200109.6V20 Y21 M117 R119 S148 L149V20-Q124 WeakPolarHBondContact CA-O 3.36Å; Y21-Q124 HydrophobicContact CD1-CB 4.45Å; Y21-Q124 HydrophobicContact CD1-CG 4.24Å; Y21-Q124 PolarHBondContact N-O 2.93Å; Y21-Q124 PolarHBondContact O-N 2.94Å; M117-Q124 HydrophobicContact SD-CB 4.31Å; R119-Q124 HydrophobicContact CG-CG 4.47Å; Q124-S148 PolarHBondContact NE2-OG 2.55Å; Q124-S148 VanDerWaalsContact NE2-OG 3.17Å; Q124-S148 PolarHBondContact OE1-OG 3.32Å; Q124-L149 HydrophobicContact CB-CB 4.42Å; Q124-L149 HydrophobicContact CB-CD1 3.96Å; Q124-L149 HydrophobicContact CB-CG 4.34Å
125F98.4Very high97.4Very high0 Ų042.3 Ų42.30%021%0.211CC..EExtended strand (participates in β ladder)trans-131.7113.6179.3-71.2-109000108.3T19 V20 F61 M117 V118 F120 Y123 M127 F142T19-F125 CarbonylContact O-C 3.52Å; T19-F125 WeakPolarHBondContact O-CA 3.36Å; V20-F125 HydrophobicContact CB-CD1 4.42Å; V20-F125 HydrophobicContact CB-CE1 4.32Å; V20-F125 HydrophobicContact CG1-CD1 3.35Å; V20-F125 HydrophobicContact CG1-CE1 3.34Å; V20-F125 HydrophobicContact CG1-CG 4.07Å; V20-F125 HydrophobicContact CG1-CZ 4.06Å; F61-F125 AromaticContact CE1-CZ 3.95Å; F61-F125 HydrophobicContact CE1-CZ 3.95Å; F61-F125 HydrophobicContact CE2-CZ 4.27Å; F61-F125 HydrophobicContact CZ-CE1 4.11Å; F61-F125 HydrophobicContact CZ-CE2 4.46Å; F61-F125 AromaticContact CZ-CZ 3.47Å; F61-F125 HydrophobicContact CZ-CZ 3.47Å; F61-F125 VanDerWaalsContact CZ-CZ 3.47Å; M117-F125 CarbonylContact C-O 3.59Å; M117-F125 WeakPolarHBondContact CA-O 3.5Å; V118-F125 HydrophobicContact CB-CB 4.06Å; V118-F125 PolarHBondContact N-O 3.18Å; V118-F125 WeakPolarHBondContact O-CB 3.31Å; V118-F125 PolarHBondContact O-N 3.09Å; F120-F125 HydrophobicContact CE1-CD2 4.02Å; F120-F125 AromaticContact CE1-CE2 3.46Å; F120-F125 HydrophobicContact CE1-CE2 3.46Å; F120-F125 VanDerWaalsContact CE1-CE2 3.46Å; F120-F125 HydrophobicContact CE1-CZ 4.25Å; F120-F125 AromaticContact CZ-CE2 3.87Å; F120-F125 HydrophobicContact CZ-CE2 3.87Å; F120-F125 HydrophobicContact CZ-CZ 4.46Å; Y123-F125 HydrophobicContact CD1-CE2 4.13Å; Y123-F125 HydrophobicContact CG-CE2 4.37Å; F125-M127 HydrophobicContact CB-CE 4.04Å; F125-M127 HydrophobicContact CB-CG 4.34Å; F125-M127 HydrophobicContact CD1-CE 4.1Å; F125-M127 HydrophobicContact CG-CE 4.29Å; F125-F142 HydrophobicContact CE1-CE1 4.42Å
126L98.5Very high97.3Very high15 Ų1541.6 Ų41.68%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-86.6113.8162.3177.165.6000107.3M18 T19 R115 M117 E128 L149M18-L126 WeakPolarHBondContact CA-O 3.4Å; T19-L126 PolarHBondContact N-O 2.57Å; T19-L126 PolarHBondContact O-N 2.75Å; R115-L126 HydrophobicContact CG-CD1 4.02Å; M117-L126 HydrophobicContact CE-CB 4.01Å; M117-L126 HydrophobicContact CE-CD1 4.27Å; L126-E128 HydrophobicContact CG-CG 4.26Å; L126-L149 HydrophobicContact CB-CD1 4.03Å
127M98.4Very high97.2Very high2 Ų245.6 Ų45.61%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-103.7126.1179.4-61.3-168.9174.700109.5L16 Q17 M18 F71 L112 R115 C116 V118 F125L16-M127 HydrophobicContact CD1-CB 4.27Å; Q17-M127 WeakPolarHBondContact O-CA 3.12Å; M18-M127 HydrophobicContact CG-CG 4.19Å; M18-M127 HydrophobicContact SD-CE 4.36Å; F71-M127 HydrophobicContact CE2-CE 3.97Å; F71-M127 HydrophobicContact CZ-CE 4.04Å; L112-M127 HydrophobicContact CD1-SD 3.94Å; R115-M127 VanDerWaalsContact CA-O 3.27Å; R115-M127 WeakPolarHBondContact CA-O 3.28Å; C116-M127 PolarHBondContact N-O 3.01Å; C116-M127 PolarHBondContact O-N 2.94Å; V118-M127 HydrophobicContact CB-CE 4.02Å; V118-M127 HydrophobicContact CB-SD 4.35Å; V118-M127 HydrophobicContact CG1-CE 4.27Å; V118-M127 HydrophobicContact CG2-CE 3.97Å; V118-M127 HydrophobicContact CG2-CG 4.17Å; V118-M127 HydrophobicContact CG2-SD 3.68Å; F125-M127 HydrophobicContact CB-CE 4.04Å; F125-M127 HydrophobicContact CB-CG 4.34Å; F125-M127 HydrophobicContact CD1-CE 4.1Å; F125-M127 HydrophobicContact CG-CE 4.29Å
128E98.4Very high97.2Very high47 Ų4744.4 Ų44.422%0.2223%0.225CC..EExtended strand (participates in β ladder)trans-130.4124-177.9-71.7174.2129.200109.6Q17 Y114 R115 L126Q17-E128 HydrophobicContact CB-CB 4.38Å; Q17-E128 PolarHBondContact N-O 2.84Å; Q17-E128 PolarHBondContact NE2-OE2 3.31Å; Q17-E128 PolarHBondContact O-N 2.93Å; Y114-E128 CarbonylContact O-C 3.5Å; Y114-E128 WeakPolarHBondContact O-CA 3.18Å; R115-E128 HydrophobicContact CB-CG 4.33Å; R115-E128 WeakPolarHBondContact CD-OE1 3.46Å; R115-E128 HydrophobicContact CG-CG 3.8Å; R115-E128 IonicContact CZ-OE1 3.49Å; R115-E128 IonicContact NE-OE1 2.94Å; R115-E128 PolarHBondContact NE-OE1 3.11Å; R115-E128 IonicContact NH2-OE1 3.9Å; L126-E128 HydrophobicContact CG-CG 4.26Å
129K97.9Very high97.1Very high22 Ų2246 Ų4610%0.09623%0.233CC..EExtended strand (participates in β ladder)trans-98.1124.6-180-174.5178.478.5101.20110.2T14 C15 L84 F86 Y114 D131T14-K129 HydrophobicContact CG2-CD 4.42Å; T14-K129 HydrophobicContact CG2-CG 4.12Å; C15-K129 WeakPolarHBondContact O-CA 3.49Å; L84-K129 PolarHBondContact O-NZ 2.79Å; F86-K129 HydrophobicContact CD2-CD 3.86Å; F86-K129 HydrophobicContact CD2-CG 4.35Å; F86-K129 HydrophobicContact CE2-CD 3.95Å; F86-K129 HydrophobicContact CE2-CG 4.07Å; Y114-K129 HydrophobicContact CD1-CB 4.37Å; Y114-K129 PolarHBondContact O-N 3.39Å; Y114-K129 PolarHBondContact OH-NZ 2.83Å; K129-D131 WeakPolarHBondContact CE-OD1 3.5Å; K129-D131 IonicContact NZ-OD1 2.77Å; K129-D131 PolarHBondContact NZ-OD1 3.15Å
130E97.9Very high97.1Very high85 Ų8542.6 Ų42.640%0.39722%0.221SC..EExtended strand (participates in β ladder)trans-101127.6165.6-63.5175.6179.700108.3T14 C15 R39T14-E130 CarbonylContact C-O 3.58Å; T14-E130 WeakPolarHBondContact CA-O 3.49Å; T14-E130 WeakPolarHBondContact CG2-O 3.44Å; C15-E130 HydrophobicContact CB-CB 4.25Å; C15-E130 PolarHBondContact N-O 2.84Å; C15-E130 PolarHBondContact O-N 2.99Å; R39-E130 IonicContact NH2-OE2 3.96Å; R39-E130 PolarHBondContact NH2-OE2 2.91Å; R39-E130 VanDerWaalsContact NH2-OE2 3.15Å
131D97.9Very high97.1Very high71 Ų7143.8 Ų43.838%0.3823%0.226SC..PPolyproline II helixtrans-72.3146.7179.3-75.4-15000111.7V83 Y114 K129V83-D131 HydrophobicContact CG1-CB 4.04Å; Y114-D131 VanDerWaalsContact CE1-OD1 3.31Å; Y114-D131 WeakPolarHBondContact CE1-OD1 3.48Å; Y114-D131 WeakPolarHBondContact CE1-OD2 3.41Å; Y114-D131 VanDerWaalsContact OH-CG 3.28Å; Y114-D131 PolarHBondContact OH-OD1 2.77Å; Y114-D131 PolarHBondContact OH-OD2 3.02Å; K129-D131 WeakPolarHBondContact CE-OD1 3.5Å; K129-D131 IonicContact NZ-OD1 2.77Å; K129-D131 PolarHBondContact NZ-OD1 3.15Å
132G95.8Very high97.2Very high4 Ų441 Ų414%0.04120%0.196CC..  trans-140.1165.5166.100000110.7T12 T14T12-G132 CarbonylContact O-C 3.58Å; T14-G132 PolarHBondContact OG1-N 3.06Å; T14-G132 PolarHBondContact OG1-O 2.84Å
133E95.1Very high97.3Very high115 Ų11537 Ų3754%0.53718%0.178SC..SBendtrans-73.8-35.5-178.4-69.1155.415600112.2E11 T12 L135E11-E133 HydrophobicContact CG-CB 3.45Å; E11-E133 VanDerWaalsContact CG-CB 3.45Å; E11-E133 VanDerWaalsContact OE1-C 3.25Å; T12-E133 PolarHBondContact N-OE2 2.76Å; T12-E133 PolarHBondContact O-N 3.1Å; T12-E133 VanDerWaalsContact OG1-CD 3.29Å; T12-E133 WeakPolarHBondContact OG1-CG 3.37Å; T12-E133 PolarHBondContact OG1-N 3.41Å; T12-E133 PolarHBondContact OG1-OE2 3.05Å; E133-L135 PolarHBondContact O-N 3.42Å
134S94.7Very high97.2Very high5 Ų539.5 Ų39.54%0.03519%0.192CC..EExtended strand (participates in β ladder)trans-66.9131.7-173.9-154.30000113.1E11 T12 L84E11-S134 VanDerWaalsContact OE1-CA 3.31Å; E11-S134 WeakPolarHBondContact OE1-CA 3.13Å; E11-S134 PolarHBondContact OE1-N 2.83Å; E11-S134 VanDerWaalsContact OE2-CA 3.31Å; E11-S134 WeakPolarHBondContact OE2-CA 3.25Å; E11-S134 WeakPolarHBondContact OE2-CB 3.34Å; E11-S134 PolarHBondContact OE2-OG 3.26Å; T12-S134 PolarHBondContact O-N 2.92Å; L84-S134 WeakPolarHBondContact CD1-O 3.3Å
135L95.5Very high97Very high57 Ų5739.4 Ų39.430%0.29819%0.193SC..EExtended strand (participates in β ladder)trans-99.9-15174.6-60.3-175.6000113.1S44 K77 L84 E133S44-L135 WeakPolarHBondContact CB-O 3.35Å; S44-L135 PolarHBondContact OG-O 3.09Å; K77-L135 HydrophobicContact CD-CD1 4.13Å; K77-L135 HydrophobicContact CD-CD2 4.29Å; L84-L135 HydrophobicContact CD2-CD2 4.07Å; L84-L135 HydrophobicContact CG-CD2 3.96Å; E133-L135 PolarHBondContact O-N 3.42Å
136E95.4Very high96.7Very high129 Ų12944.7 Ų44.760%0.60323%0.227SC*.EExtended strand (participates in β ladder)trans-87.7-26.4-176.8-61-56.114700112.1P43 S44P43-E136 CarbonylContact C-O 3.46Å; P43-E136 WeakPolarHBondContact CA-O 3.22Å; S44-E136 PolarHBondContact N-O 3.16Å; S44-E136 PolarHBondContact OG-O 2.89Å
137F96.4Very high96.4Very high86 Ų8651.5 Ų51.538%0.37725%0.252SS..EExtended strand (participates in β ladder)trans-133.3156-177.3-59-79.8000112V13 K41 L42 P43V13-F137 HydrophobicContact CG1-CB 4.22Å; K41-F137 HydrophobicContact CD-CB 4.39Å; K41-F137 HydrophobicContact CD-CG 4.45Å; K41-F137 VanDerWaalsContact CE-CB 3.46Å; K41-F137 VanDerWaalsContact CE-CG 3.41Å; K41-F137 HydrophobicContact CG-CB 4.06Å; K41-F137 HydrophobicContact CG-CD1 4.21Å; K41-F137 HydrophobicContact CG-CG 4.34Å; L42-F137 CarbonylContact O-C 3.56Å; L42-F137 VanDerWaalsContact O-CA 3.26Å; L42-F137 WeakPolarHBondContact O-CA 3.06Å; P43-F137 HydrophobicContact CB-CE1 4.49Å
138F97.6Very high96.3Very high1 Ų152.3 Ų52.30%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-141.5164.5166.873.9-76.3000109.2V13 T14 K41 L42 P43 V48 L75 L84 F86 T140V13-F138 VanDerWaalsContact CG1-CA 3.46Å; T14-F138 CarbonylContact O-C 3.54Å; T14-F138 WeakPolarHBondContact O-CA 3.35Å; T14-F138 WeakPolarHBondContact O-CB 3.34Å; K41-F138 CarbonylContact C-O 3.57Å; K41-F138 WeakPolarHBondContact CA-O 3.38Å; L42-F138 HydrophobicContact CB-CD1 3.98Å; L42-F138 HydrophobicContact CB-CE1 3.42Å; L42-F138 VanDerWaalsContact CB-CE1 3.42Å; L42-F138 HydrophobicContact CB-CE2 4.25Å; L42-F138 HydrophobicContact CB-CZ 3.56Å; L42-F138 HydrophobicContact CD1-CE1 4.31Å; L42-F138 HydrophobicContact CD1-CE2 3.92Å; L42-F138 HydrophobicContact CD1-CZ 3.56Å; L42-F138 HydrophobicContact CG-CE1 4.47Å; L42-F138 HydrophobicContact CG-CZ 4.15Å; L42-F138 PolarHBondContact N-O 2.91Å; L42-F138 WeakPolarHBondContact O-CD1 3.37Å; L42-F138 PolarHBondContact O-N 2.77Å; P43-F138 WeakPolarHBondContact O-CE1 3.45Å; V48-F138 HydrophobicContact CG2-CE2 4.06Å; V48-F138 HydrophobicContact CG2-CZ 3.53Å; L75-F138 HydrophobicContact CD1-CD1 3.63Å; L75-F138 HydrophobicContact CD1-CD2 4.03Å; L75-F138 HydrophobicContact CD1-CE1 3.37Å; L75-F138 HydrophobicContact CD1-CE2 3.79Å; L75-F138 HydrophobicContact CD1-CG 3.95Å; L75-F138 HydrophobicContact CD1-CZ 3.47Å; L75-F138 VanDerWaalsContact CD1-CZ 3.47Å; L75-F138 HydrophobicContact CD2-CB 3.49Å; L75-F138 VanDerWaalsContact CD2-CB 3.49Å; L75-F138 HydrophobicContact CD2-CD1 3.42Å; L75-F138 VanDerWaalsContact CD2-CD1 3.42Å; L75-F138 HydrophobicContact CD2-CD2 4Å; L75-F138 HydrophobicContact CD2-CE1 4.1Å; L75-F138 HydrophobicContact CD2-CG 3.36Å; L75-F138 HydrophobicContact CG-CD1 4.18Å; L75-F138 HydrophobicContact CG-CE1 4.38Å; L75-F138 HydrophobicContact CG-CG 4.29Å; L84-F138 HydrophobicContact CD1-CB 4.49Å; F86-F138 AromaticContact CE1-CD2 3.78Å; F86-F138 HydrophobicContact CE1-CD2 3.78Å; F86-F138 AromaticContact CE1-CE2 3.95Å; F86-F138 HydrophobicContact CE1-CE2 3.95Å; F86-F138 AromaticContact CZ-CD2 3.85Å; F86-F138 HydrophobicContact CZ-CD2 3.85Å; F86-F138 HydrophobicContact CZ-CE2 4.46Å; F86-F138 HydrophobicContact CZ-CG 4.45Å; F138-T140 HydrophobicContact CD2-CG2 4.12Å; F138-T140 HydrophobicContact CE2-CG2 3.58Å
139E97.8Very high96.1Very high35 Ų3550.5 Ų50.516%0.16425%0.25CC..EExtended strand (participates in β ladder)trans-115.6153.7176.6-68.6-179.2158.800110.8V13 T14 C15 L16 R39 E40 K41V13-E139 HydrophobicContact CB-CG 4.41Å; V13-E139 HydrophobicContact CG1-CG 3.81Å; T14-E139 PolarHBondContact O-N 2.84Å; C15-E139 WeakPolarHBondContact CA-O 3.42Å; C15-E139 HydrophobicContact CB-CB 4.14Å; L16-E139 PolarHBondContact N-O 3.04Å; R39-E139 WeakPolarHBondContact CD-OE2 3.38Å; R39-E139 IonicContact NH1-OE2 3.53Å; E40-E139 CarbonylContact O-C 3.54Å; E40-E139 VanDerWaalsContact O-CA 3.31Å; E40-E139 WeakPolarHBondContact O-CA 3.26Å; K41-E139 HydrophobicContact CB-CG 4.16Å; K41-E139 HydrophobicContact CG-CG 4.42Å
140T98Very high95.6Very high2 Ų252.8 Ų52.81%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-124.6145.1166.462.10000109.4L16 M18 R39 E40 L42 Y59 F138L16-T140 WeakPolarHBondContact O-CA 3.49Å; M18-T140 HydrophobicContact CE-CG2 4.03Å; R39-T140 WeakPolarHBondContact CA-O 3.31Å; E40-T140 PolarHBondContact N-O 3.23Å; E40-T140 PolarHBondContact O-N 3.44Å; L42-T140 HydrophobicContact CD1-CG2 4.11Å; Y59-T140 PolarHBondContact OH-OG1 2.75Å; F138-T140 HydrophobicContact CD2-CG2 4.12Å; F138-T140 HydrophobicContact CE2-CG2 3.58Å
141Q98.1Very high94.3Very high30 Ų3054.1 Ų54.114%0.1427%0.269CS..EExtended strand (participates in β ladder)trans-138.3132.4177.2-173.1171.616.200109.7L16 M18 R39L16-Q141 PolarHBondContact O-N 3.05Å; M18-Q141 PolarHBondContact N-O 2.78Å; R39-Q141 HydrophobicContact CG-CB 4.15Å; R39-Q141 HydrophobicContact CG-CG 4.21Å
142F98Very high92.4Very high5 Ų557 Ų572%0.02228%0.28CS..EExtended strand (participates in β ladder)trans-105133.6175.2-71.9-93.2000111.4M18 V20 I34 F36 F37 F50 Y59 F125M18-F142 HydrophobicContact CB-CD1 4.01Å; M18-F142 HydrophobicContact CB-CE1 4.05Å; M18-F142 HydrophobicContact CE-CD1 4.43Å; M18-F142 HydrophobicContact CE-CD2 4.15Å; M18-F142 HydrophobicContact CE-CE1 3.8Å; M18-F142 HydrophobicContact CE-CE2 3.45Å; M18-F142 VanDerWaalsContact CE-CE2 3.45Å; M18-F142 HydrophobicContact CE-CZ 3.27Å; M18-F142 WeakPolarHBondContact O-CA 3.36Å; M18-F142 HydrophobicContact SD-CE1 3.89Å; M18-F142 HydrophobicContact SD-CZ 3.82Å; V20-F142 HydrophobicContact CG1-CD1 3.95Å; V20-F142 HydrophobicContact CG1-CE1 4.31Å; I34-F142 HydrophobicContact CG2-CB 3.75Å; I34-F142 HydrophobicContact CG2-CD1 3.79Å; I34-F142 HydrophobicContact CG2-CD2 3.82Å; I34-F142 HydrophobicContact CG2-CE1 4.33Å; I34-F142 HydrophobicContact CG2-CE2 4.36Å; I34-F142 HydrophobicContact CG2-CG 3.49Å; I34-F142 VanDerWaalsContact CG2-CG 3.49Å; F36-F142 WeakPolarHBondContact CA-O 3.33Å; F36-F142 HydrophobicContact CD1-CB 3.75Å; F36-F142 HydrophobicContact CE1-CB 4.02Å; F37-F142 PolarHBondContact N-O 2.78Å; F50-F142 HydrophobicContact CE1-CE1 4.24Å; F50-F142 AromaticContact CE1-CZ 3.81Å; F50-F142 HydrophobicContact CE1-CZ 3.81Å; Y59-F142 AromaticContact CD1-CE2 3.57Å; Y59-F142 HydrophobicContact CD1-CE2 3.57Å; Y59-F142 AromaticContact CD1-CZ 3.78Å; Y59-F142 HydrophobicContact CD1-CZ 3.78Å; Y59-F142 HydrophobicContact CD2-CE2 4.01Å; Y59-F142 AromaticContact CD2-CZ 3.72Å; Y59-F142 HydrophobicContact CD2-CZ 3.72Å; Y59-F142 HydrophobicContact CE1-CD2 4.36Å; Y59-F142 AromaticContact CE1-CE2 3.46Å; Y59-F142 HydrophobicContact CE1-CE2 3.46Å; Y59-F142 VanDerWaalsContact CE1-CE2 3.46Å; Y59-F142 HydrophobicContact CE1-CZ 4.09Å; Y59-F142 AromaticContact CE2-CE2 3.86Å; Y59-F142 HydrophobicContact CE2-CE2 3.86Å; Y59-F142 AromaticContact CE2-CZ 3.98Å; Y59-F142 HydrophobicContact CE2-CZ 3.98Å; Y59-F142 AromaticContact CG-CE2 3.88Å; Y59-F142 HydrophobicContact CG-CE2 3.88Å; Y59-F142 AromaticContact CG-CZ 3.62Å; Y59-F142 HydrophobicContact CG-CZ 3.62Å; Y59-F142 AromaticContact CZ-CE2 3.63Å; F125-F142 HydrophobicContact CE1-CE1 4.42Å
143I96.9Very high90.3Very high40 Ų4063.6 Ų63.621%0.20531%0.314CS..EExtended strand (participates in β ladder)trans-121.1132.2171.6-59.4178000107.7Q17 M18 T19 V20 F37Q17-I143 VanDerWaalsContact CD-CD1 3.42Å; Q17-I143 HydrophobicContact CG-CD1 3.82Å; Q17-I143 HydrophobicContact CG-CG1 4.4Å; M18-I143 PolarHBondContact O-N 2.89Å; T19-I143 CarbonylContact C-O 3.54Å; T19-I143 VanDerWaalsContact CA-O 3.3Å; T19-I143 WeakPolarHBondContact CA-O 3.44Å; T19-I143 HydrophobicContact CG2-CB 4.35Å; T19-I143 HydrophobicContact CG2-CG2 4.26Å; V20-I143 PolarHBondContact N-O 2.63Å; F37-I143 HydrophobicContact CE1-CG1 4.48Å; F37-I143 HydrophobicContact CE1-CG2 4.09Å; F37-I143 HydrophobicContact CZ-CG2 4.47Å
144L95.4Very high87.9Confident59 Ų5964.2 Ų64.231%0.30932%0.321SS..EExtended strand (participates in β ladder)trans-89.4122.8175-173.566000109.1V20 F31 F36V20-L144 HydrophobicContact CG2-CD1 4.15Å; F31-L144 HydrophobicContact CD2-CD1 3.7Å; F31-L144 HydrophobicContact CE2-CD1 3.94Å; F36-L144 HydrophobicContact CD1-CB 3.82Å; F36-L144 HydrophobicContact CE1-CB 3.68Å; F36-L144 HydrophobicContact CE1-CD1 4.08Å; F36-L144 HydrophobicContact CE1-CG 4.45Å; F36-L144 HydrophobicContact CG-CB 4.41Å; F36-L144 HydrophobicContact CZ-CB 4.16Å; F36-L144 HydrophobicContact CZ-CD1 3.94Å
145S94.9Very high85.5Confident17 Ų1771.5 Ų71.512%0.11935%0.348CS..  trans-88.3132.4171.1177.20000110.7V20 Q25 R147 L149V20-S145 PolarHBondContact O-N 3.2Å; Q25-S145 PolarHBondContact NE2-O 2.99Å; S145-R147 PolarHBondContact O-N 3.45Å; S145-R147 PolarHBondContact OG-N 2.93Å; S145-R147 PolarHBondContact OG-O 3.45Å; S145-L149 VanDerWaalsContact CB-CD2 3.48Å
146P91.8Very high83Confident111 Ų11173.3 Ų73.372%0.72136%0.363SS*.SBendtrans-73.4-15.9173.830.6-34.5000113.1
147R93Very high80.9Confident158 Ų15872.6 Ų72.660%0.59637%0.369SS*.SBendtrans-127.8160.6-174.5-62.9-177.4-175.4177.61.2111.7Y21 S145 L149Y21-R147 WeakPolarHBondContact CD2-O 3.25Å; Y21-R147 VanDerWaalsContact CE2-C 3.41Å; S145-R147 PolarHBondContact O-N 3.45Å; S145-R147 PolarHBondContact OG-N 2.93Å; S145-R147 PolarHBondContact OG-O 3.45Å; R147-L149 PolarHBondContact O-N 2.87Å
148S94.9Very high78.8Confident19 Ų1976.1 Ų76.113%0.13339%0.387CS..  trans-57.3130.7174.9-179.30000110.2Q124 L150 E151Q124-S148 PolarHBondContact NE2-OG 2.55Å; Q124-S148 VanDerWaalsContact NE2-OG 3.17Å; Q124-S148 PolarHBondContact OE1-OG 3.32Å; S148-L150 PolarHBondContact O-N 2.84Å; S148-E151 PolarHBondContact O-N 3.01Å
149L94.4Very high76.5Confident10 Ų1086.5 Ų86.55%0.05243%0.426CS..THydrogen-bonded Turntrans-74.8-13-179.4-55.4175.5000112.3T19 M117 Q124 L126 S145 R147 E151T19-L149 HydrophobicContact CG2-CD2 3.87Å; T19-L149 VanDerWaalsContact O-CD1 3.23Å; T19-L149 WeakPolarHBondContact O-CD1 3.46Å; M117-L149 HydrophobicContact CE-CB 3.5Å; M117-L149 VanDerWaalsContact CE-CB 3.5Å; M117-L149 HydrophobicContact CE-CD1 4.23Å; M117-L149 HydrophobicContact SD-CB 4.32Å; M117-L149 HydrophobicContact SD-CD1 4.5Å; Q124-L149 HydrophobicContact CB-CB 4.42Å; Q124-L149 HydrophobicContact CB-CD1 3.96Å; Q124-L149 HydrophobicContact CB-CG 4.34Å; L126-L149 HydrophobicContact CB-CD1 4.03Å; S145-L149 VanDerWaalsContact CB-CD2 3.48Å; R147-L149 PolarHBondContact O-N 2.87Å; L149-E151 VanDerWaalsContact C-N 3.29Å
150L88.3Confident74.4Confident70 Ų7090.5 Ų90.537%0.36646%0.455SS..THydrogen-bonded Turntrans-74.8-21.5174.3-62.8178.3000112.5M117 S148M117-L150 HydrophobicContact CG-CD2 4.37Å; S148-L150 PolarHBondContact O-N 2.84Å
151E71.3Confident72.6Confident113 Ų11398 Ų9853%0.52849%0.493SS..G310 helixtrans-79.7-20.7-176.6-68.6176.6175.100113.2S148 L149 N153 N154S148-E151 PolarHBondContact O-N 3.01Å; L149-E151 VanDerWaalsContact C-N 3.29Å; E151-N153 PolarHBondContact O-N 3.49Å; E151-N153 VanDerWaalsContact O-N 3.13Å; E151-N154 PolarHBondContact O-N 3.26Å
152E57.7Low70.7Confident130 Ų130101.4 Ų101.461%0.60752%0.518SS*.G310 helixtrans-60.4-23.8177.6-84.2-147.9118.100113.3N154E152-N154 PolarHBondContact O-N 3.17Å
153N50.9Low68.8Low144 Ų144110.5 Ų110.577%0.7756%0.561SS**G310 helixtrans-73.5-11.3174.2-73.9-44.2000114E151E151-N153 PolarHBondContact O-N 3.49Å; E151-N153 VanDerWaalsContact O-N 3.13Å
154N44.8Very low66.4Low127 Ų127119 Ų11968%0.67959%0.592SS**G310 helixtrans-101.13.7-179.2-66.6-66.1000113.2E151 E152 P156E151-N154 PolarHBondContact O-N 3.26Å; E152-N154 PolarHBondContact O-N 3.17Å; N154-P156 VanDerWaalsContact O-CD 3.25Å; N154-P156 WeakPolarHBondContact O-CD 3.17Å
155W43.5Very low64Low159 Ų159119.4 Ų119.460%0.60261%0.61SS**SBendtrans-70117.3169.7-139.5-98.7000107.7H158W155-H158 AromaticContact CD1-NE2 3.8Å; W155-H158 AromaticContact NE1-CE1 3.63Å; W155-H158 AromaticContact NE1-NE2 3.78Å
156P44.2Very low61.5Low94 Ų94124.6 Ų124.661%0.6164%0.641SS**PPolyproline II helixtrans-54.9140.5169.225-32.2000107N154 H158N154-P156 VanDerWaalsContact O-CD 3.25Å; N154-P156 WeakPolarHBondContact O-CD 3.17Å; P156-H158 PolarHBondContact O-N 2.77Å
157P50.1Low59.4Low114 Ų114129.4 Ų129.474%0.7465%0.647SS**PPolyproline II helixtrans-47.4125.6176.120-31.3000106.7R159P157-R159 PolarHBondContact O-N 2.91Å
158H52.9Low56.8Low161 Ų161127.7 Ų127.775%0.74566%0.658SS**  trans-46.893.6-178.1-83.3-86.3000108.7W155 P156 P160W155-H158 AromaticContact CD1-NE2 3.8Å; W155-H158 AromaticContact NE1-CE1 3.63Å; W155-H158 AromaticContact NE1-NE2 3.78Å; P156-H158 PolarHBondContact O-N 2.77Å; H158-P160 WeakPolarHBondContact O-CD 3.31Å
159R50.1Low54.3Low218 Ų218134.4 Ų134.482%0.82369%0.692SS**PPolyproline II helixtrans-66.9122.5162.8-75.8-171.7178.7-167.40.2102.8P157 I161P157-R159 PolarHBondContact O-N 2.91Å; R159-I161 PolarHBondContact O-N 3.22Å; R159-I161 VanDerWaalsContact O-N 3.1Å
160P54Low51.7Low119 Ų119139.5 Ų139.577%0.77373%0.727SS**PPolyproline II helixtrans-53.4125.6175.321.2-30.1000107.4H158 P162H158-P160 WeakPolarHBondContact O-CD 3.31Å; P160-P162 VanDerWaalsContact O-CD 3.25Å; P160-P162 WeakPolarHBondContact O-CD 3.31Å
161I58.8Low49.4Very low159 Ų159141.2 Ų141.282%0.81575%0.745SS**PPolyproline II helixtrans-68.6116.9173.6-60171.7000104.9R159 E163R159-I161 PolarHBondContact O-N 3.22Å; R159-I161 VanDerWaalsContact O-N 3.1Å; I161-E163 PolarHBondContact O-N 3.21Å
162P58Low48Very low103 Ų103140.6 Ų140.667%0.66975%0.753SS**PPolyproline II helixtrans-63.3132.1176.6-16.630.6000108.9P160 Y164P160-P162 VanDerWaalsContact O-CD 3.25Å; P160-P162 WeakPolarHBondContact O-CD 3.31Å; P162-Y164 PolarHBondContact O-N 3.14Å
163E59.9Low47.2Very low195 Ų195142.9 Ų142.991%0.91176%0.764SS**SBendtrans-72.128.6179.7-61.5-168155.100114.1I161I161-E163 PolarHBondContact O-N 3.21Å
164Y46.5Very low47.3Very low220 Ų220141.8 Ų141.886%0.86377%0.768SS**  trans-103.899172.2-85.6-85.9000109.6P162P162-Y164 PolarHBondContact O-N 3.14Å
165G44.3Very low47.4Very low67 Ų67141.1 Ų141.169%0.69177%0.773SS**  trans-58.5137.5168.200000110.5
166T42.1Very low47.9Very low125 Ų125138.5 Ų138.577%0.76778%0.779SS**  -178.4123.1120.9-61.60000107.7
167Y48.6Very low48.2Very low213 Ų213140.2 Ų140.284%0.83579%0.79SS**  trans-63.9131.6169.118.2-96.6000110.4
168S37.2Very low48.5Very low121 Ų121141 Ų14185%0.84679%0.793SS**  trans-152.8124.1153.4-134.20000112
169L43.1Very low48.7Very low160 Ų160142.4 Ų142.484%0.83880%0.8SS**  trans-70.5148.8166.6-88.487000110
170C39Very low49.5Very low118 Ų118140.5 Ų140.580%0.79780%0.802SS**  trans70122.1159.7-830000119.7
171S40.3Very low49.8Very low105 Ų105142 Ų14273%0.73480%0.804SS**  trans65.4121.1137.273.40000120.7
172S42.7Very low50.3Low101 Ų101143.4 Ų143.471%0.70681%0.807SS**  95.9130.5127.173.50000119.4
173Q40.5Very low50.2Low178 Ų178145.7 Ų145.783%0.83281%0.813SS**  trans81.1114.5151.3-69.7175.716.600118.6
174S52.7Low49.7Very low121 Ų121145 Ų14585%0.84681%0.811SS**  trans-48.8129.2160.952.50000112.4
175S47.6Very low49.5Very low112 Ų112144 Ų14478%0.78384%0.836SS**  trans-144.3114.3147.150.60000108
176S53Low49.8Very low105 Ų105147.9 Ų147.973%0.73484%0.843SS**PPolyproline II helixtrans-63.7139.5169.243.50000109.5T178S176-T178 PolarHBondContact O-N 3.31Å
177P51.2Low50.2Low129 Ų129149.1 Ų149.184%0.83885%0.847SS**PPolyproline II helixtrans-73.3130179.228.3-30.2000110.5
178T56.7Low50.3Low131 Ų131145.6 Ų145.680%0.80485%0.848SS**PPolyproline II helixtrans-82.5130174.2-58.30000109.4S176S176-T178 PolarHBondContact O-N 3.31Å
179E57.4Low51Low191 Ų191147 Ų14789%0.89385%0.848SS**PPolyproline II helixtrans-69133.2172.7-68.8-170.715800110.8
180M66.9Low51.5Low178 Ų178146.2 Ų146.288%0.87785%0.848SS**  trans-109.8118.4167.3-85.6-176.448.400108.7
181D60.3Low52.4Low150 Ų150148.1 Ų148.180%0.80285%0.852SS**  trans-74.7128.3174.7-170.221.3000109.8N183D181-N183 PolarHBondContact O-N 3.47Å
182E67.5Low53.2Low188 Ų188151.1 Ų151.188%0.87986%0.86SS**  trans-83.1109176-69.3-158.7165.700109.2
183N56.6Low54Low151 Ų151155 Ų15581%0.80787%0.872SS**  trans-94.9128.2170.9-124.3-3.1000110.4D181D181-N183 PolarHBondContact O-N 3.47Å
184E49.4Very low55.2Low182 Ų182153.1 Ų153.185%0.8588%0.875SS**  trans-53.8142.5-179.7-68.1174.5113.300114.3
185S42.8Very low55.4Low199 Ų199156 Ų156100%1.39288%0.878SS**  trans-167.60132.3-740000111

Retrieved 185 of 185 residues in 36.1 ms (Link to these results)

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