G4LX89_SCHMA Loading...

Cofilin, actophorin, putative

AlphaFold DB , UniProt , Accession G4LX89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 135 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
1M45Very low76.8Confident218 Ų21881.8 Ų81.8100%1.07445%0.447SS*.  090.90-71.3-72.1-86.900107.6T3M1-T3 PolarHBondContact O-N 2.9Å
2S47.7Very low77.9Confident128 Ų12880.1 Ų80.190%0.89544%0.436SS*.  trans-84.299.3176.7-42.30000107.1G4S2-G4 PolarHBondContact O-N 2.96Å
3T57.4Low78.9Confident43 Ų4380.8 Ų80.826%0.26443%0.434SS..  trans-65.3133.1167.140.10000107.6M1 V5 A101M1-T3 PolarHBondContact O-N 2.9Å; T3-V5 PolarHBondContact O-N 2.78Å; T3-A101 HydrophobicContact CG2-CB 3.29Å
4G72.4Confident79.9Confident69 Ų6975.1 Ų75.171%0.71140%0.403SS*.  trans-67.417.1176.700000113.6S2 K6S2-G4 PolarHBondContact O-N 2.96Å; G4-K6 PolarHBondContact O-N 3.24Å
5V82.6Confident80.7Confident10 Ų1070.5 Ų70.56%0.06138%0.378CS..PPolyproline II helixtrans-77.3121.7-178.4179.90000108.5T3 I31 D34 K35 I37 I98 S102T3-V5 PolarHBondContact O-N 2.78Å; V5-I31 HydrophobicContact CG1-CG2 4.4Å; V5-D34 WeakPolarHBondContact CG2-O 3.48Å; V5-K35 CarbonylContact C-O 3.53Å; V5-K35 WeakPolarHBondContact CA-O 3.32Å; V5-I37 HydrophobicContact CG1-CD1 3.87Å; V5-I37 HydrophobicContact CG1-CG1 3.7Å; V5-I98 HydrophobicContact CG2-CG2 4.27Å; V5-S102 WeakPolarHBondContact CB-OG 3.29Å; V5-S102 VanDerWaalsContact CG2-OG 3.31Å; V5-S102 WeakPolarHBondContact CG2-OG 3.39Å
6K86.8Confident81.3Confident150 Ų15072.4 Ų72.465%0.65238%0.384SS*.EExtended strand (participates in β ladder)trans-96.1145.9179-64.2-177.5-178.4179.30109.9G4 K35 E36 I37G4-K6 PolarHBondContact O-N 3.24Å; K6-K35 PolarHBondContact N-O 3.13Å; K6-E36 CarbonylContact O-C 3.45Å; K6-E36 WeakPolarHBondContact O-CA 3.37Å; K6-I37 PolarHBondContact O-N 3.08Å
7C87.9Confident81.8Confident29 Ų2970.2 Ų70.220%0.19637%0.373CS..EExtended strand (participates in β ladder)trans-85117.5167.9-170.50000108V105C7-V105 HydrophobicContact CB-CG1 4.33Å
8H91.3Very high82.3Confident53 Ų5366.3 Ų66.325%0.24535%0.352CS..PPolyproline II helixtrans-67.1141.4174.7-171-97.9000109.5S10 C11 E36 I37 K38H8-S10 VanDerWaalsContact ND1-CB 3.31Å; H8-S10 WeakPolarHBondContact ND1-CB 3.25Å; H8-S10 PolarHBondContact ND1-N 2.98Å; H8-S10 PolarHBondContact ND1-OG 3.07Å; H8-S10 PolarHBondContact O-N 3.28Å; H8-C11 VanDerWaalsContact O-CB 3.28Å; H8-C11 WeakPolarHBondContact O-CB 3.16Å; H8-C11 PolarHBondContact O-N 3.31Å; H8-C11 PolarHBondContact O-SG 2.97Å; H8-E36 HydrophobicContact CB-CG 3.88Å; H8-E36 IonicContact CD2-OE1 3.31Å; H8-E36 PolarHBondContact CD2-OE1 2.81Å; H8-E36 IonicContact CD2-OE2 3.99Å; H8-I37 WeakPolarHBondContact CB-O 3.49Å; H8-I37 PolarHBondContact N-O 3.24Å; H8-K38 HydrophobicContact CB-CG 4.01Å
9R90.7Very high82.5Confident181 Ų18167.9 Ų67.968%0.68336%0.356SS*.Hα-helixtrans-53.3-31.5-177.861.5176.1171.7177.11114C11 I12 E13R9-C11 PolarHBondContact O-N 3.42Å; R9-C11 VanDerWaalsContact O-N 3.09Å; R9-I12 PolarHBondContact O-N 3.06Å; R9-E13 PolarHBondContact O-N 3.5Å
10S91.1Very high82.7Confident19 Ų1971.1 Ų71.113%0.13337%0.372CS..Hα-helixtrans-58.6-25.7178.363.20000113H8 A14 V39H8-S10 VanDerWaalsContact ND1-CB 3.31Å; H8-S10 WeakPolarHBondContact ND1-CB 3.25Å; H8-S10 PolarHBondContact ND1-N 2.98Å; H8-S10 PolarHBondContact ND1-OG 3.07Å; H8-S10 PolarHBondContact O-N 3.28Å; S10-A14 WeakPolarHBondContact O-CB 3.41Å; S10-A14 PolarHBondContact O-N 2.63Å; S10-V39 WeakPolarHBondContact O-CG2 3.35Å
11C91.6Very high82.8Confident0 Ų072.1 Ų72.10%038%0.378CS..Hα-helixtrans-70.9-39.9178.4-60.10000111.4H8 R9 F15 F29 I37 V39 L106H8-C11 VanDerWaalsContact O-CB 3.28Å; H8-C11 WeakPolarHBondContact O-CB 3.16Å; H8-C11 PolarHBondContact O-N 3.31Å; H8-C11 PolarHBondContact O-SG 2.97Å; R9-C11 PolarHBondContact O-N 3.42Å; R9-C11 VanDerWaalsContact O-N 3.09Å; C11-F15 WeakPolarHBondContact O-CB 3.02Å; C11-F15 PolarHBondContact O-N 2.96Å; C11-F29 HydrophobicContact CB-CD1 3.89Å; C11-F29 HydrophobicContact CB-CE1 3.68Å; C11-I37 PolarHBondContact SG-O 3.04Å; C11-V39 HydrophobicContact CB-CG2 4.39Å; C11-L106 HydrophobicContact CB-CD1 4.38Å
12I90.3Very high84.6Confident61 Ų6165.3 Ų65.331%0.31334%0.342SS..Hα-helixtrans-68.3-50175.9-56.4174.6000109.2R9 A14 F15 E16R9-I12 PolarHBondContact O-N 3.06Å; I12-A14 VanDerWaalsContact C-N 3.34Å; I12-A14 PolarHBondContact O-N 3.36Å; I12-F15 PolarHBondContact O-N 2.96Å; I12-F15 VanDerWaalsContact O-N 3.14Å; I12-E16 HydrophobicContact CG2-CG 4.33Å; I12-E16 WeakPolarHBondContact O-CB 3.06Å; I12-E16 WeakPolarHBondContact O-CG 3.21Å; I12-E16 PolarHBondContact O-N 3.27Å
13E91.6Very high86.4Confident90 Ų9064.1 Ų64.142%0.42132%0.321SS..Hα-helixtrans-56.3-46.4178.1-68168.8-173.500111.8R9 E16 D17R9-E13 PolarHBondContact O-N 3.5Å; E13-E16 PolarHBondContact O-N 3.05Å; E13-D17 PolarHBondContact O-N 3.14Å
14A92.5Very high87.9Confident0 Ų063.1 Ų63.10%031%0.313CS..Hα-helixtrans-63.2-45.2177.700000111.3S10 I12 E16 D17 L18 I27 V39 R42S10-A14 WeakPolarHBondContact O-CB 3.41Å; S10-A14 PolarHBondContact O-N 2.63Å; I12-A14 VanDerWaalsContact C-N 3.34Å; I12-A14 PolarHBondContact O-N 3.36Å; A14-E16 PolarHBondContact O-N 3.41Å; A14-D17 WeakPolarHBondContact O-CB 3.47Å; A14-D17 PolarHBondContact O-N 3.45Å; A14-L18 PolarHBondContact O-N 3.33Å; A14-I27 HydrophobicContact CB-CD1 3.74Å; A14-I27 HydrophobicContact CB-CG1 4.42Å; A14-I27 HydrophobicContact CB-CG2 4.19Å; A14-I27 WeakPolarHBondContact O-CD1 3.21Å; A14-V39 HydrophobicContact CB-CG2 3.89Å; A14-R42 HydrophobicContact CB-CG 4.43Å
15F91.4Very high88.8Confident6 Ų662.2 Ų62.23%0.02629%0.288CS..Hα-helixtrans-63.3-40.3178.7176.4-107.9000112.5C11 I12 L18 K19 V69 L81 L110 V113C11-F15 WeakPolarHBondContact O-CB 3.02Å; C11-F15 PolarHBondContact O-N 2.96Å; I12-F15 PolarHBondContact O-N 2.96Å; I12-F15 VanDerWaalsContact O-N 3.14Å; F15-L18 PolarHBondContact O-N 3.25Å; F15-K19 HydrophobicContact CE1-CD 4.04Å; F15-K19 HydrophobicContact CZ-CD 4.18Å; F15-K19 VanDerWaalsContact O-CB 3.28Å; F15-K19 WeakPolarHBondContact O-CB 3.39Å; F15-K19 PolarHBondContact O-N 3.32Å; F15-V69 HydrophobicContact CD2-CG1 4.05Å; F15-V69 HydrophobicContact CD2-CG2 4.28Å; F15-V69 HydrophobicContact CE2-CG1 3.95Å; F15-V69 HydrophobicContact CE2-CG2 4.46Å; F15-L81 HydrophobicContact CE2-CD1 3.89Å; F15-L81 HydrophobicContact CZ-CD1 3.94Å; F15-L110 HydrophobicContact CB-CD2 3.46Å; F15-L110 VanDerWaalsContact CB-CD2 3.46Å; F15-L110 HydrophobicContact CD1-CB 4.45Å; F15-L110 HydrophobicContact CD1-CD2 3.86Å; F15-L110 HydrophobicContact CD2-CB 4.46Å; F15-L110 HydrophobicContact CD2-CD2 3.58Å; F15-L110 HydrophobicContact CE1-CB 4.29Å; F15-L110 HydrophobicContact CE1-CD2 4.5Å; F15-L110 HydrophobicContact CE2-CB 4.28Å; F15-L110 HydrophobicContact CE2-CD2 4.24Å; F15-L110 HydrophobicContact CG-CD2 3.34Å; F15-L110 HydrophobicContact CG-CG 4.49Å; F15-L110 HydrophobicContact CZ-CB 4.2Å; F15-V113 HydrophobicContact CE2-CG2 3.53Å; F15-V113 HydrophobicContact CZ-CG2 3.71Å
16E90.4Very high89.3Confident101 Ų10161.8 Ų61.847%0.47229%0.286SS..Hα-helixtrans-63.2-42.4174-73180164.100111.4I12 E13 A14 L18 K19 L20I12-E16 HydrophobicContact CG2-CG 4.33Å; I12-E16 WeakPolarHBondContact O-CB 3.06Å; I12-E16 WeakPolarHBondContact O-CG 3.21Å; I12-E16 PolarHBondContact O-N 3.27Å; E13-E16 PolarHBondContact O-N 3.05Å; A14-E16 PolarHBondContact O-N 3.41Å; E16-L18 VanDerWaalsContact C-N 3.34Å; E16-L18 PolarHBondContact O-N 3.48Å; E16-K19 PolarHBondContact O-N 2.85Å; E16-L20 HydrophobicContact CB-CD1 4.38Å; E16-L20 VanDerWaalsContact O-CB 3.25Å; E16-L20 WeakPolarHBondContact O-CB 3.04Å; E16-L20 WeakPolarHBondContact O-CG 3.2Å; E16-L20 PolarHBondContact O-N 3.03Å
17D90.8Very high89.6Confident36 Ų3654.7 Ų54.719%0.19326%0.255CS..Hα-helixtrans-60.8-40.3174-98.4-37.6000112.5E13 A14 N21 K22 K23E13-D17 PolarHBondContact O-N 3.14Å; A14-D17 WeakPolarHBondContact O-CB 3.47Å; A14-D17 PolarHBondContact O-N 3.45Å; D17-N21 CarbonylContact O-C 3.55Å; D17-N21 WeakPolarHBondContact O-CA 3.38Å; D17-N21 VanDerWaalsContact O-CB 3.29Å; D17-N21 WeakPolarHBondContact O-CB 3.49Å; D17-N21 PolarHBondContact O-N 3.06Å; D17-N21 VanDerWaalsContact O-N 3.08Å; D17-N21 PolarHBondContact OD1-ND2 2.84Å; D17-K22 PolarHBondContact O-N 2.8Å; D17-K22 VanDerWaalsContact O-N 3.13Å; D17-K23 IonicContact OD1-NZ 2.9Å; D17-K23 PolarHBondContact OD1-NZ 2.89Å
18L89.2Confident90Very high0 Ų053.3 Ų53.30%025%0.246CC..Hα-helixtrans-69.3-43.1175.6178.7152.4000111.5A14 F15 E16 K22 H24 I27 V69 D71 L81A14-L18 PolarHBondContact O-N 3.33Å; F15-L18 PolarHBondContact O-N 3.25Å; E16-L18 VanDerWaalsContact C-N 3.34Å; E16-L18 PolarHBondContact O-N 3.48Å; L18-K22 WeakPolarHBondContact O-CA 3.28Å; L18-K22 PolarHBondContact O-N 2.83Å; L18-H24 HydrophobicContact CB-CB 4.33Å; L18-H24 HydrophobicContact CD1-CB 4.16Å; L18-H24 HydrophobicContact CG-CB 4.48Å; L18-I27 HydrophobicContact CB-CD1 3.57Å; L18-I27 HydrophobicContact CB-CG1 4.43Å; L18-I27 HydrophobicContact CD1-CD1 3.71Å; L18-I27 HydrophobicContact CD1-CG1 3.79Å; L18-I27 HydrophobicContact CG-CD1 4.26Å; L18-V69 HydrophobicContact CD2-CG1 4.21Å; L18-D71 HydrophobicContact CD2-CB 4.06Å; L18-D71 HydrophobicContact CG-CB 4.43Å; L18-L81 HydrophobicContact CD2-CD2 3.34Å
19K86.5Confident90.1Very high97 Ų9750.8 Ų50.842%0.42223%0.234SC..Hα-helixtrans-74.1-44.4-176.6-179180177.2-169.90113.3F15 E16 L81 V111F15-K19 HydrophobicContact CE1-CD 4.04Å; F15-K19 HydrophobicContact CZ-CD 4.18Å; F15-K19 VanDerWaalsContact O-CB 3.28Å; F15-K19 WeakPolarHBondContact O-CB 3.39Å; F15-K19 PolarHBondContact O-N 3.32Å; E16-K19 PolarHBondContact O-N 2.85Å; K19-L81 HydrophobicContact CB-CD1 4.28Å; K19-L81 HydrophobicContact CD-CD1 4.33Å; K19-L81 HydrophobicContact CG-CD1 4.09Å; K19-V111 PolarHBondContact NZ-O 2.83Å
20L86.4Confident90.2Very high130 Ų13043.6 Ų43.668%0.68121%0.208SC*.Hα-helixtrans-89.3-51.2-174.3-64.4170.9000111.4E16E16-L20 HydrophobicContact CB-CD1 4.38Å; E16-L20 VanDerWaalsContact O-CB 3.25Å; E16-L20 WeakPolarHBondContact O-CB 3.04Å; E16-L20 WeakPolarHBondContact O-CG 3.2Å; E16-L20 PolarHBondContact O-N 3.03Å
21N85.8Confident90.2Very high93 Ų9343.3 Ų43.350%0.49721%0.205SC..Hα-helixtrans-91.4-9.3-174.3-60.4-48.8000112.7D17 K23D17-N21 CarbonylContact O-C 3.55Å; D17-N21 WeakPolarHBondContact O-CA 3.38Å; D17-N21 VanDerWaalsContact O-CB 3.29Å; D17-N21 WeakPolarHBondContact O-CB 3.49Å; D17-N21 PolarHBondContact O-N 3.06Å; D17-N21 VanDerWaalsContact O-N 3.08Å; D17-N21 PolarHBondContact OD1-ND2 2.84Å; N21-K23 HydrophobicContact CB-CD 3.85Å; N21-K23 HydrophobicContact CB-CG 3.68Å; N21-K23 PolarHBondContact O-N 2.94Å
22K82.8Confident90.1Very high75 Ų7546.7 Ų46.733%0.32622%0.221SC..  trans53.820.1-177.8-78.2-166.1167.8-155.60113.8D17 L18 H24 R45 E73D17-K22 PolarHBondContact O-N 2.8Å; D17-K22 VanDerWaalsContact O-N 3.13Å; L18-K22 WeakPolarHBondContact O-CA 3.28Å; L18-K22 PolarHBondContact O-N 2.83Å; K22-H24 VanDerWaalsContact C-N 3.26Å; K22-H24 PolarHBondContact O-N 2.9Å; K22-R45 WeakPolarHBondContact O-CD 3.4Å; K22-R45 WeakPolarHBondContact O-CG 3.41Å; K22-R45 PolarHBondContact O-NH1 2.99Å; K22-E73 IonicContact NZ-OE1 3.71Å; K22-E73 PolarHBondContact NZ-OE1 2.9Å
23K84.8Confident89.8Confident103 Ų10350 Ų5045%0.44824%0.239SC..  trans-64.7-30.4-172.3-74.7171.9-175164.10113.1D17 N21D17-K23 IonicContact OD1-NZ 2.9Å; D17-K23 PolarHBondContact OD1-NZ 2.89Å; N21-K23 HydrophobicContact CB-CD 3.85Å; N21-K23 HydrophobicContact CB-CG 3.68Å; N21-K23 PolarHBondContact O-N 2.94Å
24H89.7Confident89.4Confident22 Ų2248.9 Ų48.910%0.10224%0.236CC..EExtended strand (participates in β ladder)trans-116140.8-172.2-59-51.9000110.9L18 K22 I27 A43L18-H24 HydrophobicContact CB-CB 4.33Å; L18-H24 HydrophobicContact CD1-CB 4.16Å; L18-H24 HydrophobicContact CG-CB 4.48Å; K22-H24 VanDerWaalsContact C-N 3.26Å; K22-H24 PolarHBondContact O-N 2.9Å; H24-I27 HydrophobicContact CB-CG1 4.36Å; H24-A43 CarbonylContact C-O 3.46Å; H24-A43 WeakPolarHBondContact CA-O 3Å; H24-A43 WeakPolarHBondContact CB-O 3.47Å; H24-A43 PolarHBondContact ND1-O 2.92Å
25R90.5Very high89.1Confident50 Ų5055.9 Ų55.919%0.18927%0.266CS..EExtended strand (participates in β ladder)trans-72.9-44.2172.9-171.964.2169.5-174.1-2.6110.7A43 D44 Y70 D71 E73R25-A43 PolarHBondContact N-O 3.42Å; R25-D44 WeakPolarHBondContact CB-O 3.48Å; R25-Y70 HydrophobicContact CG-CE1 4.35Å; R25-Y70 HydrophobicContact CG-CE2 4.26Å; R25-Y70 PolarHBondContact NE-OH 2.8Å; R25-D71 PolarHBondContact O-N 3.23Å; R25-E73 IonicContact NH1-OE2 3.75Å; R25-E73 PolarHBondContact NH1-OE2 2.86Å
26Y93.1Very high89.1Confident2 Ų258.2 Ų58.21%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-150157.1178.559.4-96.2000111.2I28 A43 E47 F52 I55 V69 Y70Y26-I28 HydrophobicContact CD2-CD1 4.08Å; Y26-I28 HydrophobicContact CD2-CG1 3.92Å; Y26-I28 HydrophobicContact CE2-CD1 3.82Å; Y26-I28 HydrophobicContact CE2-CG1 4.16Å; Y26-A43 HydrophobicContact CD1-CB 3.76Å; Y26-A43 HydrophobicContact CD2-CB 3.54Å; Y26-A43 HydrophobicContact CE1-CB 3.42Å; Y26-A43 VanDerWaalsContact CE1-CB 3.42Å; Y26-A43 HydrophobicContact CE2-CB 3.2Å; Y26-A43 HydrophobicContact CG-CB 3.81Å; Y26-A43 PolarHBondContact O-N 3.27Å; Y26-E47 HydrophobicContact CE1-CB 3.68Å; Y26-F52 HydrophobicContact CD1-CB 4.03Å; Y26-F52 HydrophobicContact CD1-CD2 4.13Å; Y26-F52 HydrophobicContact CD1-CG 4.37Å; Y26-F52 AromaticContact CD2-CD2 3.48Å; Y26-F52 HydrophobicContact CD2-CD2 3.48Å; Y26-F52 VanDerWaalsContact CD2-CD2 3.48Å; Y26-F52 HydrophobicContact CD2-CE2 4.14Å; Y26-F52 HydrophobicContact CD2-CG 4.42Å; Y26-F52 HydrophobicContact CE1-CB 3.68Å; Y26-F52 HydrophobicContact CE1-CD2 4.35Å; Y26-F52 HydrophobicContact CE1-CG 4.43Å; Y26-F52 HydrophobicContact CE2-CB 4.19Å; Y26-F52 AromaticContact CE2-CD2 3.7Å; Y26-F52 HydrophobicContact CE2-CD2 3.7Å; Y26-F52 HydrophobicContact CE2-CG 4.45Å; Y26-F52 HydrophobicContact CG-CB 4.46Å; Y26-F52 AromaticContact CG-CD2 3.71Å; Y26-F52 HydrophobicContact CG-CD2 3.71Å; Y26-F52 HydrophobicContact CG-CE2 4.37Å; Y26-F52 HydrophobicContact CG-CG 4.37Å; Y26-F52 PolarHBondContact OH-N 3.44Å; Y26-I55 HydrophobicContact CE2-CD1 4.08Å; Y26-V69 CarbonylContact C-O 3.55Å; Y26-V69 WeakPolarHBondContact CA-O 3.15Å; Y26-V69 WeakPolarHBondContact CB-O 3.31Å; Y26-Y70 HydrophobicContact CD1-CD2 4Å; Y26-Y70 AromaticContact CD1-CE2 3.72Å; Y26-Y70 HydrophobicContact CD1-CE2 3.72Å; Y26-Y70 HydrophobicContact CG-CD2 4.08Å; Y26-Y70 HydrophobicContact CG-CE2 4.27Å
27I94.3Very high89.2Confident0 Ų053.4 Ų53.40%026%0.255CS..EExtended strand (participates in β ladder)trans-125.9131.6173.2-61.5160000107.4A14 L18 H24 F29 V39 C41 A68 V69A14-I27 HydrophobicContact CB-CD1 3.74Å; A14-I27 HydrophobicContact CB-CG1 4.42Å; A14-I27 HydrophobicContact CB-CG2 4.19Å; A14-I27 WeakPolarHBondContact O-CD1 3.21Å; L18-I27 HydrophobicContact CB-CD1 3.57Å; L18-I27 HydrophobicContact CB-CG1 4.43Å; L18-I27 HydrophobicContact CD1-CD1 3.71Å; L18-I27 HydrophobicContact CD1-CG1 3.79Å; L18-I27 HydrophobicContact CG-CD1 4.26Å; H24-I27 HydrophobicContact CB-CG1 4.36Å; I27-F29 HydrophobicContact CB-CE2 4.13Å; I27-F29 HydrophobicContact CB-CZ 3.94Å; I27-F29 HydrophobicContact CG2-CD1 4.19Å; I27-F29 HydrophobicContact CG2-CD2 4.43Å; I27-F29 HydrophobicContact CG2-CE1 3.57Å; I27-F29 HydrophobicContact CG2-CE2 3.83Å; I27-F29 HydrophobicContact CG2-CZ 3.38Å; I27-V39 HydrophobicContact CG2-CG1 3.89Å; I27-V39 HydrophobicContact CG2-CG2 4.4Å; I27-C41 WeakPolarHBondContact CA-O 2.93Å; I27-A68 CarbonylContact O-C 3.54Å; I27-A68 WeakPolarHBondContact O-CA 3.47Å; I27-A68 WeakPolarHBondContact O-CB 3.49Å; I27-V69 PolarHBondContact N-O 3.2Å; I27-V69 PolarHBondContact O-N 3.37Å
28I94.6Very high89.3Confident0 Ų054.4 Ų54.40%026%0.257CS..EExtended strand (participates in β ladder)trans-106.7134.4175.6-57.1174.3000108.1Y26 L40 C41 F52 I55 C66 Y67 A68Y26-I28 HydrophobicContact CD2-CD1 4.08Å; Y26-I28 HydrophobicContact CD2-CG1 3.92Å; Y26-I28 HydrophobicContact CE2-CD1 3.82Å; Y26-I28 HydrophobicContact CE2-CG1 4.16Å; I28-L40 HydrophobicContact CB-CB 4.3Å; I28-L40 HydrophobicContact CB-CD2 4.47Å; I28-L40 HydrophobicContact CG2-CB 4.09Å; I28-L40 HydrophobicContact CG2-CD2 3.75Å; I28-L40 WeakPolarHBondContact O-CB 3.44Å; I28-L40 PolarHBondContact O-N 3.23Å; I28-C41 PolarHBondContact N-O 3.07Å; I28-C41 PolarHBondContact O-N 3.22Å; I28-F52 HydrophobicContact CD1-CD2 4.01Å; I28-F52 HydrophobicContact CD1-CE2 4.12Å; I28-F52 HydrophobicContact CG1-CD2 4.28Å; I28-F52 HydrophobicContact CG1-CE2 4.02Å; I28-I55 HydrophobicContact CD1-CB 3.74Å; I28-I55 HydrophobicContact CD1-CD1 3.92Å; I28-I55 HydrophobicContact CD1-CG1 4.45Å; I28-I55 HydrophobicContact CD1-CG2 3.41Å; I28-I55 VanDerWaalsContact CD1-CG2 3.41Å; I28-C66 HydrophobicContact CG2-CB 3.82Å; I28-Y67 CarbonylContact C-O 3.57Å; I28-Y67 WeakPolarHBondContact CA-O 3.13Å; I28-A68 HydrophobicContact CG1-CB 4.13Å
29F94.5Very high89.5Confident0 Ų055.9 Ų55.90%027%0.266CS..EExtended strand (participates in β ladder)trans-116.1141.3177.8-48.8-86.9000109.2C11 I27 I37 K38 V39 C66 Y67 V69 L106 L110C11-F29 HydrophobicContact CB-CD1 3.89Å; C11-F29 HydrophobicContact CB-CE1 3.68Å; I27-F29 HydrophobicContact CB-CE2 4.13Å; I27-F29 HydrophobicContact CB-CZ 3.94Å; I27-F29 HydrophobicContact CG2-CD1 4.19Å; I27-F29 HydrophobicContact CG2-CD2 4.43Å; I27-F29 HydrophobicContact CG2-CE1 3.57Å; I27-F29 HydrophobicContact CG2-CE2 3.83Å; I27-F29 HydrophobicContact CG2-CZ 3.38Å; F29-I37 HydrophobicContact CB-CG2 3.91Å; F29-K38 CarbonylContact C-O 3.39Å; F29-K38 WeakPolarHBondContact CA-O 3.44Å; F29-V39 HydrophobicContact CD1-CG2 3.96Å; F29-V39 HydrophobicContact CE1-CG2 3.89Å; F29-C66 CarbonylContact O-C 3.54Å; F29-C66 VanDerWaalsContact O-CA 3.32Å; F29-C66 WeakPolarHBondContact O-CA 3.29Å; F29-C66 WeakPolarHBondContact O-CB 3.22Å; F29-Y67 HydrophobicContact CB-CD2 4.47Å; F29-Y67 PolarHBondContact N-O 3.49Å; F29-Y67 PolarHBondContact O-N 3.4Å; F29-V69 HydrophobicContact CE2-CB 4.29Å; F29-V69 HydrophobicContact CE2-CG2 3.86Å; F29-L106 HydrophobicContact CB-CD2 4.18Å; F29-L106 HydrophobicContact CD2-CD2 4.04Å; F29-L106 HydrophobicContact CG-CD2 4.1Å; F29-L110 HydrophobicContact CZ-CD2 4.31Å
30H92.5Very high89.8Confident30 Ų3054.5 Ų54.514%0.13926%0.264CS..EExtended strand (participates in β ladder)trans-126.4160171.777.499.3000109.7I37 K38 L40 M59H30-I37 WeakPolarHBondContact O-CA 3.35Å; H30-K38 PolarHBondContact N-O 2.94Å; H30-K38 PolarHBondContact O-N 3.45Å; H30-L40 HydrophobicContact CB-CB 4.36Å; H30-L40 HydrophobicContact CB-CD1 4.39Å; H30-M59 HydrophobicContact CB-CE 3.97Å
31I91Very high90Very high13 Ų1350.5 Ų50.57%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-93123.7171.1-54.6177.1000107.4V5 E36 I37 Y67 I98 Y99V5-I31 HydrophobicContact CG1-CG2 4.4Å; I31-E36 CarbonylContact C-O 3.46Å; I31-E36 WeakPolarHBondContact CA-O 3.18Å; I31-I37 HydrophobicContact CG1-CG1 4.07Å; I31-Y67 HydrophobicContact CD1-CE2 4.07Å; I31-Y67 HydrophobicContact CG1-CE2 4.13Å; I31-I98 HydrophobicContact CD1-CG2 3.96Å; I31-I98 HydrophobicContact CG2-CG2 4.45Å; I31-Y99 HydrophobicContact CB-CE1 4.36Å; I31-Y99 HydrophobicContact CD1-CD1 3.66Å; I31-Y99 HydrophobicContact CD1-CD2 4.34Å; I31-Y99 HydrophobicContact CD1-CE1 3.67Å; I31-Y99 HydrophobicContact CD1-CE2 4.34Å; I31-Y99 HydrophobicContact CD1-CG 3.97Å; I31-Y99 HydrophobicContact CG1-CD1 4.21Å; I31-Y99 HydrophobicContact CG1-CE1 3.73Å
32E88.6Confident90.3Very high72 Ų7250.4 Ų50.434%0.33624%0.238SC..EExtended strand (participates in β ladder)trans-96.4133.6172.4-162.1174.6-112.800109.5D34 K35 E36 K38E32-D34 PolarHBondContact O-N 3.42Å; E32-K35 PolarHBondContact O-N 2.93Å; E32-E36 PolarHBondContact N-O 3.06Å; E32-E36 PolarHBondContact O-N 3.09Å; E32-E36 VanDerWaalsContact O-N 3.08Å; E32-K38 HydrophobicContact CB-CD 4.41Å; E32-K38 WeakPolarHBondContact OE2-CD 3.28Å; E32-K38 WeakPolarHBondContact OE2-CE 3.32Å; E32-K38 IonicContact OE2-NZ 2.79Å; E32-K38 PolarHBondContact OE2-NZ 3.01Å
33D84.5Confident90.8Very high130 Ų13047 Ų4770%0.69523%0.225SC*.THydrogen-bonded Turntrans51.225.1178.7-69.5-58.2000115.7K35D33-K35 HydrophobicContact CB-CD 4.46Å; D33-K35 VanDerWaalsContact O-CG 3.27Å; D33-K35 WeakPolarHBondContact O-CG 3.4Å; D33-K35 PolarHBondContact O-N 3.38Å; D33-K35 VanDerWaalsContact O-N 3.08Å
34D83.7Confident91Very high67 Ų6746.8 Ų46.836%0.35823%0.228SC..THydrogen-bonded Turntrans54.923.4-174.2-61.3-32.9000113.6V5 E32 I98V5-D34 WeakPolarHBondContact CG2-O 3.48Å; E32-D34 PolarHBondContact O-N 3.42Å; D34-I98 HydrophobicContact CB-CD1 3.73Å; D34-I98 HydrophobicContact CB-CG2 4.33Å; D34-I98 VanDerWaalsContact CG-CD1 3.46Å
35K86.3Confident90.9Very high146 Ų14650.5 Ų50.564%0.63524%0.241SC*.THydrogen-bonded Turntrans-135.1-27-169.4-75.8170.6-170.21740114.5V5 K6 E32 D33V5-K35 CarbonylContact C-O 3.53Å; V5-K35 WeakPolarHBondContact CA-O 3.32Å; K6-K35 PolarHBondContact N-O 3.13Å; E32-K35 PolarHBondContact O-N 2.93Å; D33-K35 HydrophobicContact CB-CD 4.46Å; D33-K35 VanDerWaalsContact O-CG 3.27Å; D33-K35 WeakPolarHBondContact O-CG 3.4Å; D33-K35 PolarHBondContact O-N 3.38Å; D33-K35 VanDerWaalsContact O-N 3.08Å
36E90.4Very high90.7Very high56 Ų5653.6 Ų53.626%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-141.2131.7-177.1-169.8166.6-124.900111.3K6 H8 I31 E32 K38K6-E36 CarbonylContact O-C 3.45Å; K6-E36 WeakPolarHBondContact O-CA 3.37Å; H8-E36 HydrophobicContact CB-CG 3.88Å; H8-E36 IonicContact CD2-OE1 3.31Å; H8-E36 PolarHBondContact CD2-OE1 2.81Å; H8-E36 IonicContact CD2-OE2 3.99Å; I31-E36 CarbonylContact C-O 3.46Å; I31-E36 WeakPolarHBondContact CA-O 3.18Å; E32-E36 PolarHBondContact N-O 3.06Å; E32-E36 PolarHBondContact O-N 3.09Å; E32-E36 VanDerWaalsContact O-N 3.08Å; E36-K38 HydrophobicContact CG-CG 4.31Å; E36-K38 WeakPolarHBondContact OE2-CE 3.37Å; E36-K38 IonicContact OE2-NZ 3.42Å
37I92.8Very high90.6Very high0 Ų056.8 Ų56.80%028%0.281CS..EExtended strand (participates in β ladder)trans-85.8122173.4-59.6147.9000107.9V5 K6 H8 C11 F29 H30 I31 L106V5-I37 HydrophobicContact CG1-CD1 3.87Å; V5-I37 HydrophobicContact CG1-CG1 3.7Å; K6-I37 PolarHBondContact O-N 3.08Å; H8-I37 WeakPolarHBondContact CB-O 3.49Å; H8-I37 PolarHBondContact N-O 3.24Å; C11-I37 PolarHBondContact SG-O 3.04Å; F29-I37 HydrophobicContact CB-CG2 3.91Å; H30-I37 WeakPolarHBondContact O-CA 3.35Å; I31-I37 HydrophobicContact CG1-CG1 4.07Å; I37-L106 HydrophobicContact CD1-CB 3.97Å; I37-L106 HydrophobicContact CG2-CD1 4.04Å; I37-L106 HydrophobicContact CG2-CD2 4.2Å
38K92.9Very high90.3Very high56 Ų5660.4 Ų60.424%0.24330%0.303CS..EExtended strand (participates in β ladder)trans-121.7161.9177.3-69.9-173179.1176.40111.1H8 F29 H30 E32 E36 L40H8-K38 HydrophobicContact CB-CG 4.01Å; F29-K38 CarbonylContact C-O 3.39Å; F29-K38 WeakPolarHBondContact CA-O 3.44Å; H30-K38 PolarHBondContact N-O 2.94Å; H30-K38 PolarHBondContact O-N 3.45Å; E32-K38 HydrophobicContact CB-CD 4.41Å; E32-K38 WeakPolarHBondContact OE2-CD 3.28Å; E32-K38 WeakPolarHBondContact OE2-CE 3.32Å; E32-K38 IonicContact OE2-NZ 2.79Å; E32-K38 PolarHBondContact OE2-NZ 3.01Å; E36-K38 HydrophobicContact CG-CG 4.31Å; E36-K38 WeakPolarHBondContact OE2-CE 3.37Å; E36-K38 IonicContact OE2-NZ 3.42Å; K38-L40 PolarHBondContact O-N 3.27Å
39V94Very high89.9Confident31 Ų3161.1 Ų61.119%0.18831%0.306CS..EExtended strand (participates in β ladder)trans-77.9119.9173.41780000108.2S10 C11 A14 I27 F29 R42S10-V39 WeakPolarHBondContact O-CG2 3.35Å; C11-V39 HydrophobicContact CB-CG2 4.39Å; A14-V39 HydrophobicContact CB-CG2 3.89Å; I27-V39 HydrophobicContact CG2-CG1 3.89Å; I27-V39 HydrophobicContact CG2-CG2 4.4Å; F29-V39 HydrophobicContact CD1-CG2 3.96Å; F29-V39 HydrophobicContact CE1-CG2 3.89Å; V39-R42 HydrophobicContact CG1-CG 3.69Å
40L92Very high89.7Confident69 Ų6967.5 Ų67.536%0.36134%0.335SS..EExtended strand (participates in β ladder)trans-78.4-49.4173.6-173.471.2000110.6I28 H30 K38 I55 M59I28-L40 HydrophobicContact CB-CB 4.3Å; I28-L40 HydrophobicContact CB-CD2 4.47Å; I28-L40 HydrophobicContact CG2-CB 4.09Å; I28-L40 HydrophobicContact CG2-CD2 3.75Å; I28-L40 WeakPolarHBondContact O-CB 3.44Å; I28-L40 PolarHBondContact O-N 3.23Å; H30-L40 HydrophobicContact CB-CB 4.36Å; H30-L40 HydrophobicContact CB-CD1 4.39Å; K38-L40 PolarHBondContact O-N 3.27Å; L40-I55 HydrophobicContact CD2-CG2 4.24Å; L40-M59 HydrophobicContact CD1-SD 4.43Å; L40-M59 HydrophobicContact CD2-CE 4.07Å; L40-M59 HydrophobicContact CD2-CG 3.96Å; L40-M59 HydrophobicContact CD2-SD 3.61Å
41C91.1Very high89.7Confident45 Ų4567.7 Ų67.730%0.30434%0.34SS..EExtended strand (participates in β ladder)trans-151142.6-174.4-173.60000110.6I27 I28I27-C41 WeakPolarHBondContact CA-O 2.93Å; I28-C41 PolarHBondContact N-O 3.07Å; I28-C41 PolarHBondContact O-N 3.22Å
42R92.4Very high89.7Confident92 Ų9267.1 Ų67.135%0.34734%0.337SS..EExtended strand (participates in β ladder)trans-115.9107.9169.1-56.6179.7-172.3-170.8-2.1106.8A14 V39A14-R42 HydrophobicContact CB-CG 4.43Å; V39-R42 HydrophobicContact CG1-CG 3.69Å
43A92.5Very high89.8Confident4 Ų465.7 Ų65.73%0.03333%0.33CS..EExtended strand (participates in β ladder)trans-88.7133.6-177.400000110.8H24 R25 Y26 E47H24-A43 CarbonylContact C-O 3.46Å; H24-A43 WeakPolarHBondContact CA-O 3Å; H24-A43 WeakPolarHBondContact CB-O 3.47Å; H24-A43 PolarHBondContact ND1-O 2.92Å; R25-A43 PolarHBondContact N-O 3.42Å; Y26-A43 HydrophobicContact CD1-CB 3.76Å; Y26-A43 HydrophobicContact CD2-CB 3.54Å; Y26-A43 HydrophobicContact CE1-CB 3.42Å; Y26-A43 VanDerWaalsContact CE1-CB 3.42Å; Y26-A43 HydrophobicContact CE2-CB 3.2Å; Y26-A43 HydrophobicContact CG-CB 3.81Å; Y26-A43 PolarHBondContact O-N 3.27Å; A43-E47 HydrophobicContact CB-CB 3.94Å; A43-E47 HydrophobicContact CB-CG 3.79Å
44D90Very high90.1Very high97 Ų9763.3 Ų63.352%0.51932%0.317SS..EExtended strand (participates in β ladder)trans-63.7162.6174.6-70-59000112R25 T46 E47R25-D44 WeakPolarHBondContact CB-O 3.48Å; D44-T46 PolarHBondContact O-N 3.1Å; D44-T46 VanDerWaalsContact O-N 3.07Å; D44-E47 WeakPolarHBondContact O-CB 3.21Å; D44-E47 PolarHBondContact O-N 3.09Å
45R86.9Confident90.5Very high100 Ų10062 Ų6238%0.37731%0.31SS..THydrogen-bonded Turntrans-59-19.7177.4-69.1-170.376.379.3-2.2114.1K22 E47 D71 E73K22-R45 WeakPolarHBondContact O-CD 3.4Å; K22-R45 WeakPolarHBondContact O-CG 3.41Å; K22-R45 PolarHBondContact O-NH1 2.99Å; R45-E47 VanDerWaalsContact C-N 3.29Å; R45-D71 IonicContact NH1-OD2 2.63Å; R45-E73 IonicContact CZ-OE2 3.48Å; R45-E73 IonicContact NH1-OE2 3.36Å; R45-E73 IonicContact NH2-OE1 3.67Å; R45-E73 PolarHBondContact NH2-OE1 3.42Å; R45-E73 IonicContact NH2-OE2 3.17Å; R45-E73 PolarHBondContact NH2-OE2 2.57Å
46T87.6Confident90.7Very high116 Ų11655.1 Ų55.171%0.71228%0.28SS*.THydrogen-bonded Turntrans-77.6-15.3178.851.10000113.1D44D44-T46 PolarHBondContact O-N 3.1Å; D44-T46 VanDerWaalsContact O-N 3.07Å
47E89.3Confident90.7Very high69 Ų6954.8 Ų54.832%0.32228%0.28SS..  trans-70.5141.7-178.9-70.5-61.8114.600111.8Y26 A43 D44 R45 S51Y26-E47 HydrophobicContact CE1-CB 3.68Å; A43-E47 HydrophobicContact CB-CB 3.94Å; A43-E47 HydrophobicContact CB-CG 3.79Å; D44-E47 WeakPolarHBondContact O-CB 3.21Å; D44-E47 PolarHBondContact O-N 3.09Å; R45-E47 VanDerWaalsContact C-N 3.29Å; E47-S51 WeakPolarHBondContact OE2-CB 3.42Å; E47-S51 PolarHBondContact OE2-OG 3.26Å
48T88Confident90.6Very high76 Ų7661 Ų6147%0.46631%0.307SS..  trans-93.4165.3-177.566.10000111.6H50 S51 F52T48-H50 PolarHBondContact O-N 3.4Å; T48-H50 PolarHBondContact OG1-N 3.3Å; T48-S51 PolarHBondContact O-N 3.48Å; T48-S51 PolarHBondContact OG1-N 3.19Å; T48-S51 PolarHBondContact OG1-OG 2.63Å; T48-F52 PolarHBondContact O-N 3.47Å
49Y88.1Confident90.4Very high15 Ų1558.7 Ų58.76%0.05930%0.297CS..Hα-helixtrans-60.9-29.8170.7-167.2-95.4000112.2F52 K53 Y70 I125 E127 M130Y49-F52 HydrophobicContact CD2-CD1 4.07Å; Y49-F52 AromaticContact CE2-CD1 3.65Å; Y49-F52 HydrophobicContact CE2-CD1 3.65Å; Y49-F52 HydrophobicContact CE2-CE1 4.05Å; Y49-F52 WeakPolarHBondContact O-CB 3.34Å; Y49-F52 PolarHBondContact O-N 2.76Å; Y49-K53 PolarHBondContact O-N 2.72Å; Y49-Y70 AromaticContact CD2-CE2 3.88Å; Y49-Y70 HydrophobicContact CD2-CE2 3.88Å; Y49-Y70 HydrophobicContact CE2-CE2 4.43Å; Y49-I125 VanDerWaalsContact CE1-O 3.29Å; Y49-I125 WeakPolarHBondContact CE1-O 3.41Å; Y49-I125 VanDerWaalsContact CZ-O 3.32Å; Y49-I125 PolarHBondContact OH-O 3.3Å; Y49-E127 HydrophobicContact CD1-CB 3.51Å; Y49-E127 HydrophobicContact CD1-CG 3.92Å; Y49-E127 HydrophobicContact CD2-CG 4.25Å; Y49-E127 VanDerWaalsContact CE1-CA 3.46Å; Y49-E127 HydrophobicContact CE1-CB 3.65Å; Y49-E127 HydrophobicContact CE1-CG 4.34Å; Y49-E127 VanDerWaalsContact CE1-N 3.28Å; Y49-E127 HydrophobicContact CG-CB 4Å; Y49-E127 HydrophobicContact CG-CG 3.85Å; Y49-M130 HydrophobicContact CE2-CB 4.41Å; Y49-M130 HydrophobicContact CE2-CE 4.41Å; Y49-M130 HydrophobicContact CE2-CG 3.66Å; Y49-M130 WeakPolarHBondContact OH-CG 3.49Å
50H90Very high90.1Very high133 Ų13359.6 Ų59.662%0.61630%0.299SS*.Hα-helixtrans-62.3-51.7175-172.851.4000111.1T48 F52 K53 D54T48-H50 PolarHBondContact O-N 3.4Å; T48-H50 PolarHBondContact OG1-N 3.3Å; H50-F52 PolarHBondContact O-N 3.43Å; H50-K53 WeakPolarHBondContact O-CB 3.1Å; H50-K53 PolarHBondContact O-N 3.17Å; H50-D54 IonicContact CD2-OD2 2.9Å; H50-D54 IonicContact CE1-OD2 3.05Å; H50-D54 PolarHBondContact CE1-OD2 2.87Å; H50-D54 IonicContact CG-OD2 2.74Å; H50-D54 IonicContact ND1-OD2 3.85Å; H50-D54 PolarHBondContact ND1-OD2 2.94Å; H50-D54 IonicContact NE2-OD2 2.79Å; H50-D54 PolarHBondContact NE2-OD2 2.77Å; H50-D54 PolarHBondContact O-N 3.5Å
51S90.9Very high90Very high35 Ų3563.2 Ų63.225%0.24532%0.319CS..Hα-helixtrans-54.2-40.8174.4-53.90000112.4E47 T48 D54 I55E47-S51 WeakPolarHBondContact OE2-CB 3.42Å; E47-S51 PolarHBondContact OE2-OG 3.26Å; T48-S51 PolarHBondContact O-N 3.48Å; T48-S51 PolarHBondContact OG1-N 3.19Å; T48-S51 PolarHBondContact OG1-OG 2.63Å; S51-D54 PolarHBondContact O-N 3.31Å; S51-I55 WeakPolarHBondContact O-CG1 3.18Å; S51-I55 PolarHBondContact O-N 3.32Å; S51-I55 VanDerWaalsContact O-N 3.17Å
52F91.2Very high89.8Confident0 Ų065.5 Ų65.50%033%0.325CS..Hα-helixtrans-60.7-50.9175.8174.8-110.8000111.4Y26 I28 T48 Y49 H50 D54 I55 L56 A68 Y70 V84 M130Y26-F52 HydrophobicContact CD1-CB 4.03Å; Y26-F52 HydrophobicContact CD1-CD2 4.13Å; Y26-F52 HydrophobicContact CD1-CG 4.37Å; Y26-F52 AromaticContact CD2-CD2 3.48Å; Y26-F52 HydrophobicContact CD2-CD2 3.48Å; Y26-F52 VanDerWaalsContact CD2-CD2 3.48Å; Y26-F52 HydrophobicContact CD2-CE2 4.14Å; Y26-F52 HydrophobicContact CD2-CG 4.42Å; Y26-F52 HydrophobicContact CE1-CB 3.68Å; Y26-F52 HydrophobicContact CE1-CD2 4.35Å; Y26-F52 HydrophobicContact CE1-CG 4.43Å; Y26-F52 HydrophobicContact CE2-CB 4.19Å; Y26-F52 AromaticContact CE2-CD2 3.7Å; Y26-F52 HydrophobicContact CE2-CD2 3.7Å; Y26-F52 HydrophobicContact CE2-CG 4.45Å; Y26-F52 HydrophobicContact CG-CB 4.46Å; Y26-F52 AromaticContact CG-CD2 3.71Å; Y26-F52 HydrophobicContact CG-CD2 3.71Å; Y26-F52 HydrophobicContact CG-CE2 4.37Å; Y26-F52 HydrophobicContact CG-CG 4.37Å; Y26-F52 PolarHBondContact OH-N 3.44Å; I28-F52 HydrophobicContact CD1-CD2 4.01Å; I28-F52 HydrophobicContact CD1-CE2 4.12Å; I28-F52 HydrophobicContact CG1-CD2 4.28Å; I28-F52 HydrophobicContact CG1-CE2 4.02Å; T48-F52 PolarHBondContact O-N 3.47Å; Y49-F52 HydrophobicContact CD2-CD1 4.07Å; Y49-F52 AromaticContact CE2-CD1 3.65Å; Y49-F52 HydrophobicContact CE2-CD1 3.65Å; Y49-F52 HydrophobicContact CE2-CE1 4.05Å; Y49-F52 WeakPolarHBondContact O-CB 3.34Å; Y49-F52 PolarHBondContact O-N 2.76Å; H50-F52 PolarHBondContact O-N 3.43Å; F52-D54 PolarHBondContact O-N 3.28Å; F52-I55 PolarHBondContact O-N 2.87Å; F52-L56 HydrophobicContact CD1-CD1 4.16Å; F52-L56 HydrophobicContact CE1-CD1 3.54Å; F52-L56 HydrophobicContact CE1-CG 4.28Å; F52-L56 HydrophobicContact CE2-CD1 4.31Å; F52-L56 HydrophobicContact CE2-CD2 4.15Å; F52-L56 HydrophobicContact CE2-CG 4.29Å; F52-L56 HydrophobicContact CZ-CD1 3.64Å; F52-L56 HydrophobicContact CZ-CD2 4.13Å; F52-L56 HydrophobicContact CZ-CG 4.1Å; F52-L56 WeakPolarHBondContact O-CG 3.33Å; F52-L56 PolarHBondContact O-N 3.49Å; F52-L56 VanDerWaalsContact O-N 3.15Å; F52-A68 HydrophobicContact CE2-CB 3.38Å; F52-A68 HydrophobicContact CZ-CB 3.59Å; F52-Y70 HydrophobicContact CB-CE2 4.37Å; F52-Y70 HydrophobicContact CD1-CD2 4.22Å; F52-Y70 HydrophobicContact CD1-CE2 4.4Å; F52-Y70 HydrophobicContact CD2-CD2 4.38Å; F52-Y70 HydrophobicContact CE1-CD2 4.41Å; F52-Y70 HydrophobicContact CG-CD2 4.19Å; F52-Y70 HydrophobicContact CG-CE2 4.27Å; F52-V84 HydrophobicContact CZ-CB 4.41Å; F52-V84 HydrophobicContact CZ-CG1 4.44Å; F52-V84 HydrophobicContact CZ-CG2 4.26Å; F52-M130 HydrophobicContact CE1-CE 4.2Å
53K90.7Very high89.5Confident42 Ų4262.2 Ų62.218%0.18332%0.321CS..Hα-helixtrans-59.2-44.3178-171.2174.7-178173.30111.4Y49 H50 I55 L56 L57 I125 E126Y49-K53 PolarHBondContact O-N 2.72Å; H50-K53 WeakPolarHBondContact O-CB 3.1Å; H50-K53 PolarHBondContact O-N 3.17Å; K53-I55 VanDerWaalsContact C-N 3.32Å; K53-I55 PolarHBondContact O-N 2.91Å; K53-L56 WeakPolarHBondContact O-CB 3.49Å; K53-L56 PolarHBondContact O-N 2.87Å; K53-L56 VanDerWaalsContact O-N 3.14Å; K53-L57 HydrophobicContact CG-CD1 4.14Å; K53-L57 HydrophobicContact CG-CG 4.36Å; K53-L57 WeakPolarHBondContact O-CG 3.33Å; K53-L57 PolarHBondContact O-N 2.78Å; K53-I125 HydrophobicContact CG-CD1 3.94Å; K53-I125 HydrophobicContact CG-CG1 4.46Å; K53-E126 IonicContact NZ-OE1 2.57Å
54D91.8Very high89.3Confident80 Ų8066.1 Ų66.143%0.42834%0.337SS..Hα-helixtrans-57.7-41.5176.7-85.2-90.8000112.8H50 S51 F52 L57 K58H50-D54 IonicContact CD2-OD2 2.9Å; H50-D54 IonicContact CE1-OD2 3.05Å; H50-D54 PolarHBondContact CE1-OD2 2.87Å; H50-D54 IonicContact CG-OD2 2.74Å; H50-D54 IonicContact ND1-OD2 3.85Å; H50-D54 PolarHBondContact ND1-OD2 2.94Å; H50-D54 IonicContact NE2-OD2 2.79Å; H50-D54 PolarHBondContact NE2-OD2 2.77Å; H50-D54 PolarHBondContact O-N 3.5Å; S51-D54 PolarHBondContact O-N 3.31Å; F52-D54 PolarHBondContact O-N 3.28Å; D54-L57 PolarHBondContact O-N 2.93Å; D54-K58 WeakPolarHBondContact O-CB 3.28Å; D54-K58 PolarHBondContact O-N 2.9Å
55I91.1Very high89.3Confident41 Ų4161.5 Ų61.521%0.2131%0.312CS..Hα-helixtrans-66.5-40.6176.6-60.9162.1000111Y26 I28 L40 S51 F52 K53 K58 M59Y26-I55 HydrophobicContact CE2-CD1 4.08Å; I28-I55 HydrophobicContact CD1-CB 3.74Å; I28-I55 HydrophobicContact CD1-CD1 3.92Å; I28-I55 HydrophobicContact CD1-CG1 4.45Å; I28-I55 HydrophobicContact CD1-CG2 3.41Å; I28-I55 VanDerWaalsContact CD1-CG2 3.41Å; L40-I55 HydrophobicContact CD2-CG2 4.24Å; S51-I55 WeakPolarHBondContact O-CG1 3.18Å; S51-I55 PolarHBondContact O-N 3.32Å; S51-I55 VanDerWaalsContact O-N 3.17Å; F52-I55 PolarHBondContact O-N 2.87Å; K53-I55 VanDerWaalsContact C-N 3.32Å; K53-I55 PolarHBondContact O-N 2.91Å; I55-K58 PolarHBondContact O-N 2.8Å; I55-M59 WeakPolarHBondContact O-CG 3.37Å; I55-M59 PolarHBondContact O-N 2.89Å
56L90.4Very high89.6Confident0 Ų056.8 Ų56.80%029%0.294CS..Hα-helixtrans-63.2-43.7176.8-62.9-173.9000111.8F52 K53 M59 M60 C66 W86 I125F52-L56 HydrophobicContact CD1-CD1 4.16Å; F52-L56 HydrophobicContact CE1-CD1 3.54Å; F52-L56 HydrophobicContact CE1-CG 4.28Å; F52-L56 HydrophobicContact CE2-CD1 4.31Å; F52-L56 HydrophobicContact CE2-CD2 4.15Å; F52-L56 HydrophobicContact CE2-CG 4.29Å; F52-L56 HydrophobicContact CZ-CD1 3.64Å; F52-L56 HydrophobicContact CZ-CD2 4.13Å; F52-L56 HydrophobicContact CZ-CG 4.1Å; F52-L56 WeakPolarHBondContact O-CG 3.33Å; F52-L56 PolarHBondContact O-N 3.49Å; F52-L56 VanDerWaalsContact O-N 3.15Å; K53-L56 WeakPolarHBondContact O-CB 3.49Å; K53-L56 PolarHBondContact O-N 2.87Å; K53-L56 VanDerWaalsContact O-N 3.14Å; L56-M59 PolarHBondContact O-N 2.97Å; L56-M60 PolarHBondContact O-N 3.29Å; L56-C66 WeakPolarHBondContact CD2-SG 3.47Å; L56-W86 HydrophobicContact CB-CG 4.21Å; L56-W86 HydrophobicContact CD1-CB 4.44Å; L56-W86 HydrophobicContact CD1-CG 4.37Å; L56-W86 HydrophobicContact CD2-CB 4.07Å; L56-W86 HydrophobicContact CD2-CG 4.2Å; L56-W86 HydrophobicContact CG-CG 4.5Å; L56-W86 PolarHBondContact O-NE1 2.85Å; L56-I125 HydrophobicContact CB-CD1 4.16Å; L56-I125 HydrophobicContact CD1-CB 4.27Å; L56-I125 HydrophobicContact CD1-CD1 4.05Å; L56-I125 HydrophobicContact CD1-CG2 3.99Å
57L90.7Very high89.9Confident49 Ų4951.2 Ų51.226%0.25726%0.26SS..Hα-helixtrans-63.4-43.9176.6-68.6176.2000111.1K53 D54 M59 M60 D61 V122 I125K53-L57 HydrophobicContact CG-CD1 4.14Å; K53-L57 HydrophobicContact CG-CG 4.36Å; K53-L57 WeakPolarHBondContact O-CG 3.33Å; K53-L57 PolarHBondContact O-N 2.78Å; D54-L57 PolarHBondContact O-N 2.93Å; L57-M59 VanDerWaalsContact C-N 3.28Å; L57-M59 PolarHBondContact O-N 3.42Å; L57-M60 WeakPolarHBondContact O-CA 3.5Å; L57-M60 VanDerWaalsContact O-CB 3.27Å; L57-M60 WeakPolarHBondContact O-CB 3.37Å; L57-M60 PolarHBondContact O-N 3.42Å; L57-D61 PolarHBondContact O-N 2.93Å; L57-V122 HydrophobicContact CD2-CB 4.39Å; L57-V122 HydrophobicContact CD2-CG1 3.89Å; L57-V122 HydrophobicContact CD2-CG2 3.62Å; L57-I125 HydrophobicContact CD2-CD1 4.33Å
58K91.2Very high90.1Very high131 Ų13148 Ų4857%0.5725%0.245SC*.Hα-helixtrans-58-40.7174.5-175.3179.6177.2-1780112.5D54 I55 M60 D61 E62D54-K58 WeakPolarHBondContact O-CB 3.28Å; D54-K58 PolarHBondContact O-N 2.9Å; I55-K58 PolarHBondContact O-N 2.8Å; K58-M60 VanDerWaalsContact C-N 3.32Å; K58-M60 PolarHBondContact O-N 3.04Å; K58-D61 PolarHBondContact O-N 3.41Å; K58-E62 WeakPolarHBondContact O-CG 3.48Å; K58-E62 PolarHBondContact O-N 3.44Å
59M89.5Confident90.4Very high8 Ų844.4 Ų44.44%0.03922%0.223CC..Hα-helixtrans-64.9-37.6175.7-71.3-63.7-72.400112H30 L40 I55 L56 L57 E62 G63 K64 C66H30-M59 HydrophobicContact CB-CE 3.97Å; L40-M59 HydrophobicContact CD1-SD 4.43Å; L40-M59 HydrophobicContact CD2-CE 4.07Å; L40-M59 HydrophobicContact CD2-CG 3.96Å; L40-M59 HydrophobicContact CD2-SD 3.61Å; I55-M59 WeakPolarHBondContact O-CG 3.37Å; I55-M59 PolarHBondContact O-N 2.89Å; L56-M59 PolarHBondContact O-N 2.97Å; L57-M59 VanDerWaalsContact C-N 3.28Å; L57-M59 PolarHBondContact O-N 3.42Å; M59-E62 PolarHBondContact O-N 3.48Å; M59-G63 PolarHBondContact O-N 3.36Å; M59-K64 CarbonylContact C-O 3.59Å; M59-K64 VanDerWaalsContact C-O 3.3Å; M59-K64 HydrophobicContact CE-CB 3.66Å; M59-K64 HydrophobicContact CE-CD 3.97Å; M59-K64 HydrophobicContact CE-CG 4.49Å; M59-K64 PolarHBondContact O-N 3.4Å; M59-C66 HydrophobicContact CE-CB 4.31Å; M59-C66 HydrophobicContact CG-CB 4.48Å
60M87.9Confident90.5Very high49 Ų4943.8 Ų43.824%0.24122%0.221CC..Hα-helixtrans-61.5-46.2173.1175.6178.4175.900111.6L56 L57 K58 E62 G63 W86 P88 T90 V122L56-M60 PolarHBondContact O-N 3.29Å; L57-M60 WeakPolarHBondContact O-CA 3.5Å; L57-M60 VanDerWaalsContact O-CB 3.27Å; L57-M60 WeakPolarHBondContact O-CB 3.37Å; L57-M60 PolarHBondContact O-N 3.42Å; K58-M60 VanDerWaalsContact C-N 3.32Å; K58-M60 PolarHBondContact O-N 3.04Å; M60-E62 VanDerWaalsContact C-N 3.28Å; M60-E62 PolarHBondContact O-N 3.17Å; M60-G63 WeakPolarHBondContact O-CA 3.34Å; M60-G63 PolarHBondContact O-N 2.88Å; M60-W86 HydrophobicContact CB-CZ2 4.31Å; M60-W86 HydrophobicContact SD-CH2 4.46Å; M60-W86 HydrophobicContact SD-CZ2 3.79Å; M60-P88 HydrophobicContact CB-CB 4.37Å; M60-P88 HydrophobicContact CB-CG 3.63Å; M60-P88 HydrophobicContact CE-CB 4.37Å; M60-P88 HydrophobicContact CG-CB 3.78Å; M60-P88 HydrophobicContact CG-CG 3.6Å; M60-P88 HydrophobicContact SD-CB 4.08Å; M60-P88 HydrophobicContact SD-CG 4.12Å; M60-T90 HydrophobicContact CE-CG2 4.07Å; M60-V122 HydrophobicContact SD-CG2 4.12Å
61D88.7Confident90.6Very high146 Ų14637.7 Ų37.778%0.78119%0.193SC*.Hα-helixtrans-61.5-34.8175.9-76.5-56000112.5L57 K58 G63L57-D61 PolarHBondContact O-N 2.93Å; K58-D61 PolarHBondContact O-N 3.41Å; D61-G63 PolarHBondContact O-N 2.91Å
62E88Confident90.3Very high92 Ų9236.8 Ų36.843%0.4318%0.184SC..THydrogen-bonded Turntrans-73.9-1.4172.8-71.8-174-15800113.8K58 M59 M60 K64K58-E62 WeakPolarHBondContact O-CG 3.48Å; K58-E62 PolarHBondContact O-N 3.44Å; M59-E62 PolarHBondContact O-N 3.48Å; M60-E62 VanDerWaalsContact C-N 3.28Å; M60-E62 PolarHBondContact O-N 3.17Å; E62-K64 VanDerWaalsContact C-N 3.34Å; E62-K64 HydrophobicContact CB-CD 4.33Å; E62-K64 HydrophobicContact CB-CG 4.46Å; E62-K64 IonicContact OE2-NZ 3.92Å; E62-K64 PolarHBondContact OE2-NZ 3.03Å
63G86Confident89.9Confident24 Ų2439.5 Ų39.525%0.24720%0.197CC..THydrogen-bonded Turntrans65.338-177.200000112.5M59 M60 D61 L91 K95M59-G63 PolarHBondContact O-N 3.36Å; M60-G63 WeakPolarHBondContact O-CA 3.34Å; M60-G63 PolarHBondContact O-N 2.88Å; D61-G63 PolarHBondContact O-N 2.91Å; G63-L91 WeakPolarHBondContact O-CD2 3.45Å; G63-K95 PolarHBondContact O-NZ 2.97Å
64K88.2Confident89.4Confident86 Ų8639.5 Ų39.537%0.37420%0.2SC..  trans-127.2147.6177.2-63.3172.8-168.6157.30111.3M59 E62 L91M59-K64 CarbonylContact C-O 3.59Å; M59-K64 VanDerWaalsContact C-O 3.3Å; M59-K64 HydrophobicContact CE-CB 3.66Å; M59-K64 HydrophobicContact CE-CD 3.97Å; M59-K64 HydrophobicContact CE-CG 4.49Å; M59-K64 PolarHBondContact O-N 3.4Å; E62-K64 VanDerWaalsContact C-N 3.34Å; E62-K64 HydrophobicContact CB-CD 4.33Å; E62-K64 HydrophobicContact CB-CG 4.46Å; E62-K64 IonicContact OE2-NZ 3.92Å; E62-K64 PolarHBondContact OE2-NZ 3.03Å; K64-L91 VanDerWaalsContact N-CD2 3.33Å
65G89.6Confident88.7Confident0 Ų045.1 Ų45.10%022%0.224CC..  trans-86.6171.3166.900000110.7W86 Y99G65-W86 WeakPolarHBondContact CA-O 3.44Å; G65-Y99 VanDerWaalsContact C-CZ 3.46Å; G65-Y99 WeakPolarHBondContact O-CE1 3.29Å; G65-Y99 VanDerWaalsContact O-CZ 3.28Å; G65-Y99 PolarHBondContact O-OH 3.2Å
66C93Very high88Confident0 Ų047.6 Ų47.60%026%0.259CS..EExtended strand (participates in β ladder)trans-153161166.853.10000111I28 F29 L56 M59 W86I28-C66 HydrophobicContact CG2-CB 3.82Å; F29-C66 CarbonylContact O-C 3.54Å; F29-C66 VanDerWaalsContact O-CA 3.32Å; F29-C66 WeakPolarHBondContact O-CA 3.29Å; F29-C66 WeakPolarHBondContact O-CB 3.22Å; L56-C66 WeakPolarHBondContact CD2-SG 3.47Å; M59-C66 HydrophobicContact CE-CB 4.31Å; M59-C66 HydrophobicContact CG-CB 4.48Å; C66-W86 PolarHBondContact N-O 2.79Å; C66-W86 CarbonylContact O-C 3.51Å; C66-W86 WeakPolarHBondContact O-CA 3.32Å; C66-W86 WeakPolarHBondContact O-CB 3.39Å; C66-W86 PolarHBondContact O-N 3.04Å
67Y93.9Very high87.5Confident0 Ų052 Ų520%028%0.279CS..EExtended strand (participates in β ladder)trans-107.8155.8166.2-49.5-71.7000108.7I28 F29 I31 F83 V84 Y99 K103 L106I28-Y67 CarbonylContact C-O 3.57Å; I28-Y67 WeakPolarHBondContact CA-O 3.13Å; F29-Y67 HydrophobicContact CB-CD2 4.47Å; F29-Y67 PolarHBondContact N-O 3.49Å; F29-Y67 PolarHBondContact O-N 3.4Å; I31-Y67 HydrophobicContact CD1-CE2 4.07Å; I31-Y67 HydrophobicContact CG1-CE2 4.13Å; Y67-F83 HydrophobicContact CD1-CE1 4.13Å; Y67-F83 HydrophobicContact CD1-CE2 4.35Å; Y67-F83 AromaticContact CD1-CZ 3.48Å; Y67-F83 HydrophobicContact CD1-CZ 3.48Å; Y67-F83 VanDerWaalsContact CD1-CZ 3.48Å; Y67-F83 HydrophobicContact CE1-CZ 4.24Å; Y67-F83 HydrophobicContact CG-CE2 4.24Å; Y67-F83 AromaticContact CG-CZ 3.79Å; Y67-F83 HydrophobicContact CG-CZ 3.79Å; Y67-V84 CarbonylContact C-O 3.6Å; Y67-V84 VanDerWaalsContact CA-O 3.27Å; Y67-V84 WeakPolarHBondContact CA-O 3.35Å; Y67-Y99 HydrophobicContact CE1-CD1 4.09Å; Y67-Y99 AromaticContact CE2-CD1 3.87Å; Y67-Y99 HydrophobicContact CE2-CD1 3.87Å; Y67-Y99 HydrophobicContact CE2-CE1 4.23Å; Y67-Y99 AromaticContact CZ-CD1 3.59Å; Y67-Y99 WeakPolarHBondContact OH-CA 3.49Å; Y67-Y99 PolarHBondContact OH-O 3.14Å; Y67-K103 HydrophobicContact CE1-CB 4.02Å; Y67-K103 PolarHBondContact OH-N 3.39Å; Y67-K103 VanDerWaalsContact OH-N 3.16Å; Y67-L106 HydrophobicContact CD2-CD2 3.46Å; Y67-L106 VanDerWaalsContact CD2-CD2 3.46Å; Y67-L106 HydrophobicContact CE2-CD2 4.21Å; Y67-L106 HydrophobicContact CG-CD2 3.71Å
68A93.6Very high87Confident1 Ų155.3 Ų55.31%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-138.3156.9167.800000111.7I27 I28 F52 F83 V84I27-A68 CarbonylContact O-C 3.54Å; I27-A68 WeakPolarHBondContact O-CA 3.47Å; I27-A68 WeakPolarHBondContact O-CB 3.49Å; I28-A68 HydrophobicContact CG1-CB 4.13Å; F52-A68 HydrophobicContact CE2-CB 3.38Å; F52-A68 HydrophobicContact CZ-CB 3.59Å; A68-F83 CarbonylContact O-C 3.51Å; A68-F83 WeakPolarHBondContact O-CA 3.27Å; A68-V84 HydrophobicContact CB-CB 4.16Å; A68-V84 HydrophobicContact CB-CG2 4.5Å; A68-V84 PolarHBondContact N-O 2.86Å; A68-V84 PolarHBondContact O-N 3.15Å
69V93.4Very high86.6Confident0 Ų051.7 Ų51.70%029%0.29CS..EExtended strand (participates in β ladder)trans-117.8122.9162.31730000106.7F15 L18 Y26 I27 F29 L81 I82 F83 L110 V113F15-V69 HydrophobicContact CD2-CG1 4.05Å; F15-V69 HydrophobicContact CD2-CG2 4.28Å; F15-V69 HydrophobicContact CE2-CG1 3.95Å; F15-V69 HydrophobicContact CE2-CG2 4.46Å; L18-V69 HydrophobicContact CD2-CG1 4.21Å; Y26-V69 CarbonylContact C-O 3.55Å; Y26-V69 WeakPolarHBondContact CA-O 3.15Å; Y26-V69 WeakPolarHBondContact CB-O 3.31Å; I27-V69 PolarHBondContact N-O 3.2Å; I27-V69 PolarHBondContact O-N 3.37Å; F29-V69 HydrophobicContact CE2-CB 4.29Å; F29-V69 HydrophobicContact CE2-CG2 3.86Å; V69-L81 HydrophobicContact CG1-CD2 4.46Å; V69-I82 WeakPolarHBondContact CA-O 3.27Å; V69-F83 HydrophobicContact CG2-CD2 4.07Å; V69-L110 HydrophobicContact CG2-CD1 3.61Å; V69-V113 HydrophobicContact CG1-CG2 4.49Å; V69-V113 HydrophobicContact CG2-CG2 4.4Å
70Y91.5Very high86.4Confident3 Ų352.9 Ų52.91%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-112.2126.6179-162.8-74.4000109.1R25 Y26 Y49 F52 Y72 I82R25-Y70 HydrophobicContact CG-CE1 4.35Å; R25-Y70 HydrophobicContact CG-CE2 4.26Å; R25-Y70 PolarHBondContact NE-OH 2.8Å; Y26-Y70 HydrophobicContact CD1-CD2 4Å; Y26-Y70 AromaticContact CD1-CE2 3.72Å; Y26-Y70 HydrophobicContact CD1-CE2 3.72Å; Y26-Y70 HydrophobicContact CG-CD2 4.08Å; Y26-Y70 HydrophobicContact CG-CE2 4.27Å; Y49-Y70 AromaticContact CD2-CE2 3.88Å; Y49-Y70 HydrophobicContact CD2-CE2 3.88Å; Y49-Y70 HydrophobicContact CE2-CE2 4.43Å; F52-Y70 HydrophobicContact CB-CE2 4.37Å; F52-Y70 HydrophobicContact CD1-CD2 4.22Å; F52-Y70 HydrophobicContact CD1-CE2 4.4Å; F52-Y70 HydrophobicContact CD2-CD2 4.38Å; F52-Y70 HydrophobicContact CE1-CD2 4.41Å; F52-Y70 HydrophobicContact CG-CD2 4.19Å; F52-Y70 HydrophobicContact CG-CE2 4.27Å; Y70-Y72 AromaticContact CD1-CD2 3.64Å; Y70-Y72 HydrophobicContact CD1-CD2 3.64Å; Y70-Y72 HydrophobicContact CD1-CG 4.2Å; Y70-Y72 AromaticContact CE1-CD2 3.42Å; Y70-Y72 HydrophobicContact CE1-CD2 3.42Å; Y70-Y72 VanDerWaalsContact CE1-CD2 3.42Å; Y70-Y72 HydrophobicContact CE1-CE2 4.22Å; Y70-Y72 HydrophobicContact CE1-CG 4.19Å; Y70-Y72 PolarHBondContact O-N 2.91Å; Y70-I82 PolarHBondContact N-O 3Å; Y70-I82 PolarHBondContact O-N 3.24Å
71D90.2Very high86.5Confident5 Ų551.6 Ų51.63%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-83.489.8170.4-170.117.3000108.8L18 R25 R45 E73 L81L18-D71 HydrophobicContact CD2-CB 4.06Å; L18-D71 HydrophobicContact CG-CB 4.43Å; R25-D71 PolarHBondContact O-N 3.23Å; R45-D71 IonicContact NH1-OD2 2.63Å; D71-E73 PolarHBondContact O-N 2.91Å; D71-L81 HydrophobicContact CB-CD2 3.97Å
72Y85.6Confident86.6Confident16 Ų1644.7 Ų44.76%0.06326%0.256CS..EExtended strand (participates in β ladder)trans-88.1109.6-174.1-156.5-92000109.7Y70 V74 S80 I82 M130 R131 A134Y70-Y72 AromaticContact CD1-CD2 3.64Å; Y70-Y72 HydrophobicContact CD1-CD2 3.64Å; Y70-Y72 HydrophobicContact CD1-CG 4.2Å; Y70-Y72 AromaticContact CE1-CD2 3.42Å; Y70-Y72 HydrophobicContact CE1-CD2 3.42Å; Y70-Y72 VanDerWaalsContact CE1-CD2 3.42Å; Y70-Y72 HydrophobicContact CE1-CE2 4.22Å; Y70-Y72 HydrophobicContact CE1-CG 4.19Å; Y70-Y72 PolarHBondContact O-N 2.91Å; Y72-V74 HydrophobicContact CD1-CG2 3.58Å; Y72-V74 HydrophobicContact CE1-CG2 3.34Å; Y72-S80 PolarHBondContact N-O 3.08Å; Y72-S80 PolarHBondContact O-N 3.46Å; Y72-I82 HydrophobicContact CG-CD1 4.09Å; Y72-M130 HydrophobicContact CD2-CB 4.12Å; Y72-M130 HydrophobicContact CE2-CB 3.85Å; Y72-R131 HydrophobicContact CE1-CB 4.37Å; Y72-A134 HydrophobicContact CD1-CB 3.27Å; Y72-A134 HydrophobicContact CE1-CB 3.76Å; Y72-A134 HydrophobicContact CG-CB 4.1Å
73E83.5Confident86.9Confident57 Ų5740.4 Ų40.427%0.26624%0.236SC..  trans-104.3115.4177.6-79170.6143.600109.5K22 R25 R45 D71 P79K22-E73 IonicContact NZ-OE1 3.71Å; K22-E73 PolarHBondContact NZ-OE1 2.9Å; R25-E73 IonicContact NH1-OE2 3.75Å; R25-E73 PolarHBondContact NH1-OE2 2.86Å; R45-E73 IonicContact CZ-OE2 3.48Å; R45-E73 IonicContact NH1-OE2 3.36Å; R45-E73 IonicContact NH2-OE1 3.67Å; R45-E73 PolarHBondContact NH2-OE1 3.42Å; R45-E73 IonicContact NH2-OE2 3.17Å; R45-E73 PolarHBondContact NH2-OE2 2.57Å; D71-E73 PolarHBondContact O-N 2.91Å; E73-P79 HydrophobicContact CG-CB 3.74Å
74V78.9Confident87.2Confident42 Ų4239.2 Ų39.226%0.25522%0.224SC..  trans-104.6132.3171.1-178.40000107.9Y72 G76 K77 A134Y72-V74 HydrophobicContact CD1-CG2 3.58Å; Y72-V74 HydrophobicContact CE1-CG2 3.34Å; V74-G76 PolarHBondContact O-N 3.13Å; V74-K77 HydrophobicContact CB-CB 4.1Å; V74-K77 HydrophobicContact CB-CD 4.28Å; V74-K77 HydrophobicContact CB-CG 4.25Å; V74-K77 HydrophobicContact CG1-CD 4.25Å; V74-K77 HydrophobicContact CG1-CG 4.26Å; V74-K77 PolarHBondContact O-N 3.43Å; V74-A134 HydrophobicContact CG2-CB 4.23Å
75E78Confident87.5Confident198 Ų19835.6 Ų35.693%0.92521%0.21SC*.THydrogen-bonded Turntrans-54.1126.7175.5-67.7-168.5137.400110.7K77E75-K77 VanDerWaalsContact C-N 3.32Å; E75-K77 PolarHBondContact O-N 2.91Å
76G77.2Confident87.7Confident92 Ų9235.7 Ų35.795%0.94821%0.21SC*.THydrogen-bonded Turntrans80.60.4-177.500000115.7V74V74-G76 PolarHBondContact O-N 3.13Å
77K79.2Confident87.6Confident94 Ų9436.1 Ų36.141%0.40921%0.213SC..SBendtrans-116.3161.1172.7-59.1-167.7174.1-169.50111.9V74 E75 S135V74-K77 HydrophobicContact CB-CB 4.1Å; V74-K77 HydrophobicContact CB-CD 4.28Å; V74-K77 HydrophobicContact CB-CG 4.25Å; V74-K77 HydrophobicContact CG1-CD 4.25Å; V74-K77 HydrophobicContact CG1-CG 4.26Å; V74-K77 PolarHBondContact O-N 3.43Å; E75-K77 VanDerWaalsContact C-N 3.32Å; E75-K77 PolarHBondContact O-N 2.91Å; K77-S135 PolarHBondContact NZ-O 3.37Å; K77-S135 PolarHBondContact NZ-OG 2.9Å
78V80.8Confident87.5Confident117 Ų11736.1 Ų36.171%0.70921%0.213SC*.  trans-70.8132.6175.9-178.80000109.1S80V78-S80 PolarHBondContact O-N 3.29Å; V78-S80 PolarHBondContact O-OG 3.08Å
79P82.2Confident87.2Confident55 Ų5539 Ų3936%0.35723%0.233SC..  trans-50129.517318.3-31.9000110.4E73E73-P79 HydrophobicContact CG-CB 3.74Å
80S85.8Confident86.9Confident33 Ų3343.5 Ų43.523%0.23126%0.26CS..EExtended strand (participates in β ladder)trans-124.7122.8-177-700000110.1Y72 V78 I82Y72-S80 PolarHBondContact N-O 3.08Å; Y72-S80 PolarHBondContact O-N 3.46Å; V78-S80 PolarHBondContact O-N 3.29Å; V78-S80 PolarHBondContact O-OG 3.08Å; S80-I82 PolarHBondContact O-N 2.98Å
81L89.7Confident86.8Confident23 Ų2343.7 Ų43.712%0.1226%0.262CS..EExtended strand (participates in β ladder)trans-74.7118.4171.5-59.7178.4000109.1F15 L18 K19 V69 D71 V113F15-L81 HydrophobicContact CE2-CD1 3.89Å; F15-L81 HydrophobicContact CZ-CD1 3.94Å; L18-L81 HydrophobicContact CD2-CD2 3.34Å; K19-L81 HydrophobicContact CB-CD1 4.28Å; K19-L81 HydrophobicContact CD-CD1 4.33Å; K19-L81 HydrophobicContact CG-CD1 4.09Å; V69-L81 HydrophobicContact CG1-CD2 4.46Å; D71-L81 HydrophobicContact CB-CD2 3.97Å; L81-V113 HydrophobicContact CB-CG2 4.28Å; L81-V113 WeakPolarHBondContact O-CG1 3.41Å
82I91.3Very high86.7Confident0 Ų048.2 Ų48.20%029%0.286CS..EExtended strand (participates in β ladder)trans-110.3122.2178.4-53.4-179.1000108.6V69 Y70 Y72 S80 V84 R115 V117 M130 A134V69-I82 WeakPolarHBondContact CA-O 3.27Å; Y70-I82 PolarHBondContact N-O 3Å; Y70-I82 PolarHBondContact O-N 3.24Å; Y72-I82 HydrophobicContact CG-CD1 4.09Å; S80-I82 PolarHBondContact O-N 2.98Å; I82-V84 HydrophobicContact CG2-CG2 4.38Å; I82-R115 HydrophobicContact CB-CB 4.45Å; I82-R115 HydrophobicContact CG1-CB 4.06Å; I82-R115 HydrophobicContact CG2-CB 4.34Å; I82-V117 HydrophobicContact CG2-CB 4.41Å; I82-V117 HydrophobicContact CG2-CG2 3.65Å; I82-M130 HydrophobicContact CD1-SD 4.48Å; I82-M130 HydrophobicContact CG2-SD 3.99Å; I82-A134 HydrophobicContact CD1-CB 3.9Å
83F93.6Very high86.8Confident2 Ų252 Ų521%0.00931%0.31CS..EExtended strand (participates in β ladder)trans-84.7126169.9179.2-98.5000109.6Y67 A68 V69 K103 L106 L110 V113 R115 E116 V117Y67-F83 HydrophobicContact CD1-CE1 4.13Å; Y67-F83 HydrophobicContact CD1-CE2 4.35Å; Y67-F83 AromaticContact CD1-CZ 3.48Å; Y67-F83 HydrophobicContact CD1-CZ 3.48Å; Y67-F83 VanDerWaalsContact CD1-CZ 3.48Å; Y67-F83 HydrophobicContact CE1-CZ 4.24Å; Y67-F83 HydrophobicContact CG-CE2 4.24Å; Y67-F83 AromaticContact CG-CZ 3.79Å; Y67-F83 HydrophobicContact CG-CZ 3.79Å; A68-F83 CarbonylContact O-C 3.51Å; A68-F83 WeakPolarHBondContact O-CA 3.27Å; V69-F83 HydrophobicContact CG2-CD2 4.07Å; F83-K103 HydrophobicContact CE1-CD 4.1Å; F83-K103 HydrophobicContact CE1-CG 3.89Å; F83-K103 HydrophobicContact CZ-CG 4.23Å; F83-L106 HydrophobicContact CE2-CD2 3.76Å; F83-L106 HydrophobicContact CE2-CG 4.26Å; F83-L106 HydrophobicContact CZ-CD2 4.21Å; F83-L110 HydrophobicContact CD2-CD1 3.85Å; F83-L110 HydrophobicContact CE2-CD1 3.96Å; F83-V113 HydrophobicContact CB-CG1 3.47Å; F83-V113 VanDerWaalsContact CB-CG1 3.47Å; F83-R115 PolarHBondContact N-O 2.84Å; F83-E116 HydrophobicContact CB-CB 4.39Å; F83-E116 HydrophobicContact CD1-CB 4.36Å; F83-E116 CarbonylContact O-C 3.3Å; F83-E116 WeakPolarHBondContact O-CA 3.34Å; F83-V117 PolarHBondContact O-N 3.37Å
84V92.7Very high87Confident0 Ų058.5 Ų58.50%033%0.332CS..EExtended strand (participates in β ladder)trans-112.9123.5-179.2-169.70000107.9F52 Y67 A68 I82 V117 M130F52-V84 HydrophobicContact CZ-CB 4.41Å; F52-V84 HydrophobicContact CZ-CG1 4.44Å; F52-V84 HydrophobicContact CZ-CG2 4.26Å; Y67-V84 CarbonylContact C-O 3.6Å; Y67-V84 VanDerWaalsContact CA-O 3.27Å; Y67-V84 WeakPolarHBondContact CA-O 3.35Å; A68-V84 HydrophobicContact CB-CB 4.16Å; A68-V84 HydrophobicContact CB-CG2 4.5Å; A68-V84 PolarHBondContact N-O 2.86Å; A68-V84 PolarHBondContact O-N 3.15Å; I82-V84 HydrophobicContact CG2-CG2 4.38Å; V84-V117 CarbonylContact C-O 3.47Å; V84-V117 WeakPolarHBondContact CA-O 3.43Å; V84-M130 HydrophobicContact CB-CE 4.03Å; V84-M130 HydrophobicContact CG1-CE 3.59Å; V84-M130 HydrophobicContact CG2-CE 3.22Å; V84-M130 HydrophobicContact CG2-SD 3.93Å
85S93.7Very high87.5Confident10 Ų1059.2 Ų59.27%0.0733%0.332CS..EExtended strand (participates in β ladder)trans-106.3101.8173.4-1770000108.5V117 A119S85-V117 PolarHBondContact N-O 2.88Å; S85-A119 PolarHBondContact O-N 2.8Å; S85-A119 VanDerWaalsContact O-O 3.12Å
86W93.2Very high88Confident1 Ų154.1 Ų54.10%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-96.1103.3177.9-179.7-122.1000110.3L56 M60 G65 C66 P88 A119 D121 V122 I125L56-W86 HydrophobicContact CB-CG 4.21Å; L56-W86 HydrophobicContact CD1-CB 4.44Å; L56-W86 HydrophobicContact CD1-CG 4.37Å; L56-W86 HydrophobicContact CD2-CB 4.07Å; L56-W86 HydrophobicContact CD2-CG 4.2Å; L56-W86 HydrophobicContact CG-CG 4.5Å; L56-W86 PolarHBondContact O-NE1 2.85Å; M60-W86 HydrophobicContact CB-CZ2 4.31Å; M60-W86 HydrophobicContact SD-CH2 4.46Å; M60-W86 HydrophobicContact SD-CZ2 3.79Å; G65-W86 WeakPolarHBondContact CA-O 3.44Å; C66-W86 PolarHBondContact N-O 2.79Å; C66-W86 CarbonylContact O-C 3.51Å; C66-W86 WeakPolarHBondContact O-CA 3.32Å; C66-W86 WeakPolarHBondContact O-CB 3.39Å; C66-W86 PolarHBondContact O-N 3.04Å; W86-P88 HydrophobicContact CD2-CG 4.32Å; W86-P88 HydrophobicContact CZ2-CG 3.86Å; W86-A119 WeakPolarHBondContact CA-O 3.48Å; W86-A119 HydrophobicContact CE3-CB 3.63Å; W86-A119 HydrophobicContact CZ3-CB 3.84Å; W86-D121 VanDerWaalsContact CH2-C 3.41Å; W86-D121 WeakPolarHBondContact CH2-O 3.34Å; W86-D121 WeakPolarHBondContact CZ3-O 3.36Å; W86-V122 HydrophobicContact CH2-CG2 4.17Å; W86-V122 HydrophobicContact CZ2-CG2 4.47Å; W86-I125 HydrophobicContact CD2-CG2 4.02Å; W86-I125 HydrophobicContact CE3-CD1 4.4Å; W86-I125 HydrophobicContact CE3-CG2 3.25Å; W86-I125 HydrophobicContact CH2-CD1 3.89Å; W86-I125 HydrophobicContact CH2-CG1 4.24Å; W86-I125 HydrophobicContact CH2-CG2 4.29Å; W86-I125 HydrophobicContact CZ2-CD1 3.98Å; W86-I125 HydrophobicContact CZ3-CB 4.4Å; W86-I125 HydrophobicContact CZ3-CD1 4.11Å; W86-I125 HydrophobicContact CZ3-CG1 4.15Å; W86-I125 HydrophobicContact CZ3-CG2 3.43Å; W86-I125 VanDerWaalsContact CZ3-CG2 3.43Å
87V92.2Very high88.6Confident10 Ų1055.5 Ų55.56%0.06129%0.288CS..  trans-132.184.1-178.7-174.10000108.6S89 L91 R96 Y99 A119 N120V87-S89 PolarHBondContact O-N 2.83Å; V87-L91 HydrophobicContact CG1-CD1 3.93Å; V87-R96 HydrophobicContact CG1-CB 4.11Å; V87-R96 HydrophobicContact CG1-CG 3.77Å; V87-Y99 HydrophobicContact CG2-CD1 4.37Å; V87-Y99 HydrophobicContact CG2-CG 4.15Å; V87-A119 PolarHBondContact N-O 2.82Å; V87-N120 WeakPolarHBondContact O-CA 3.21Å; V87-N120 WeakPolarHBondContact O-CB 3.42Å; V87-N120 PolarHBondContact O-OD1 2.57Å
88P91.6Very high89.1Confident0 Ų052 Ų520%027%0.273CS..  trans-50.3139.1-179.2-26.528.8000113.2M60 W86 T90 L91 N120M60-P88 HydrophobicContact CB-CB 4.37Å; M60-P88 HydrophobicContact CB-CG 3.63Å; M60-P88 HydrophobicContact CE-CB 4.37Å; M60-P88 HydrophobicContact CG-CB 3.78Å; M60-P88 HydrophobicContact CG-CG 3.6Å; M60-P88 HydrophobicContact SD-CB 4.08Å; M60-P88 HydrophobicContact SD-CG 4.12Å; W86-P88 HydrophobicContact CD2-CG 4.32Å; W86-P88 HydrophobicContact CZ2-CG 3.86Å; P88-T90 WeakPolarHBondContact CB-OG1 3.21Å; P88-T90 PolarHBondContact O-N 2.77Å; P88-T90 VanDerWaalsContact O-N 3.14Å; P88-L91 HydrophobicContact CB-CG 4.15Å; P88-L91 HydrophobicContact CG-CD1 4.46Å; P88-L91 HydrophobicContact CG-CG 4.37Å; P88-L91 WeakPolarHBondContact O-CB 3.34Å; P88-L91 WeakPolarHBondContact O-CG 3.31Å; P88-L91 PolarHBondContact O-N 3.46Å; P88-N120 WeakPolarHBondContact CA-O 3.38Å
89S87.5Confident89.5Confident61 Ų6146.8 Ų46.843%0.42724%0.241SC..THydrogen-bonded Turntrans-59.9-24.3176.665.50000112.8V87 L91 R96 N120V87-S89 PolarHBondContact O-N 2.83Å; S89-L91 VanDerWaalsContact C-N 3.29Å; S89-L91 PolarHBondContact O-N 3.05Å; S89-R96 PolarHBondContact O-NH1 3.15Å; S89-N120 PolarHBondContact N-O 3.32Å
90T87.5Confident89.8Confident94 Ų9447.4 Ų47.458%0.57725%0.25SS*.THydrogen-bonded Turntrans-72.5-13177.156.70000114.4M60 P88M60-T90 HydrophobicContact CE-CG2 4.07Å; P88-T90 WeakPolarHBondContact CB-OG1 3.21Å; P88-T90 PolarHBondContact O-N 2.77Å; P88-T90 VanDerWaalsContact O-N 3.14Å
91L87.5Confident90Very high8 Ų847.1 Ų47.14%0.04225%0.25CS..SBendtrans-69.3149178.7-68179.1000112.8G63 K64 V87 P88 S89 V93 R96G63-L91 WeakPolarHBondContact O-CD2 3.45Å; K64-L91 VanDerWaalsContact N-CD2 3.33Å; V87-L91 HydrophobicContact CG1-CD1 3.93Å; P88-L91 HydrophobicContact CB-CG 4.15Å; P88-L91 HydrophobicContact CG-CD1 4.46Å; P88-L91 HydrophobicContact CG-CG 4.37Å; P88-L91 WeakPolarHBondContact O-CB 3.34Å; P88-L91 WeakPolarHBondContact O-CG 3.31Å; P88-L91 PolarHBondContact O-N 3.46Å; S89-L91 VanDerWaalsContact C-N 3.29Å; S89-L91 PolarHBondContact O-N 3.05Å; L91-V93 PolarHBondContact O-N 3.37Å; L91-R96 HydrophobicContact CB-CG 3.7Å
92D88.1Confident90Very high100 Ų10046 Ų4654%0.53525%0.245SC..  trans-49.5134.9171.5-65.5-52.1000111.2R94 K95 R96D92-R94 PolarHBondContact O-N 3.48Å; D92-R94 VanDerWaalsContact O-N 3.08Å; D92-K95 HydrophobicContact CB-CB 4.33Å; D92-K95 HydrophobicContact CB-CD 4.23Å; D92-K95 HydrophobicContact CB-CG 4.2Å; D92-K95 WeakPolarHBondContact O-CA 3.18Å; D92-K95 WeakPolarHBondContact O-CB 3.46Å; D92-K95 PolarHBondContact O-N 2.91Å; D92-K95 IonicContact OD2-NZ 3.6Å; D92-K95 PolarHBondContact OD2-NZ 2.65Å; D92-R96 PolarHBondContact O-N 3.16Å
93V89Confident89.9Confident94 Ų9447 Ų4757%0.5725%0.249SC*.Hα-helixtrans-51.1-40.6179.8-178.70000111.4L91 R96 M97L91-V93 PolarHBondContact O-N 3.37Å; V93-R96 PolarHBondContact O-N 3.07Å; V93-M97 WeakPolarHBondContact O-CG 3.21Å; V93-M97 PolarHBondContact O-N 3.46Å
94R87.6Confident89.7Confident194 Ų19451.2 Ų51.273%0.73228%0.278SS*.Hα-helixtrans-61-46.4177.2-173.7177.5179171.4-0.1112.3D92 M97 I98D92-R94 PolarHBondContact O-N 3.48Å; D92-R94 VanDerWaalsContact O-N 3.08Å; R94-M97 PolarHBondContact O-N 3.06Å; R94-I98 HydrophobicContact CG-CD1 4.07Å; R94-I98 WeakPolarHBondContact O-CD1 3.47Å; R94-I98 WeakPolarHBondContact O-CG1 3.4Å; R94-I98 PolarHBondContact O-N 3.09Å
95K88.7Confident89.4Confident57 Ų5753.4 Ų53.425%0.24829%0.291CS..Hα-helixtrans-62.4-47.7176.8-72.4177.1178.8163.50110.3G63 D92 M97 I98 Y99G63-K95 PolarHBondContact O-NZ 2.97Å; D92-K95 HydrophobicContact CB-CB 4.33Å; D92-K95 HydrophobicContact CB-CD 4.23Å; D92-K95 HydrophobicContact CB-CG 4.2Å; D92-K95 WeakPolarHBondContact O-CA 3.18Å; D92-K95 WeakPolarHBondContact O-CB 3.46Å; D92-K95 PolarHBondContact O-N 2.91Å; D92-K95 IonicContact OD2-NZ 3.6Å; D92-K95 PolarHBondContact OD2-NZ 2.65Å; K95-M97 VanDerWaalsContact C-N 3.26Å; K95-M97 PolarHBondContact O-N 3.17Å; K95-I98 CarbonylContact O-C 3.55Å; K95-I98 WeakPolarHBondContact O-CA 3.46Å; K95-I98 WeakPolarHBondContact O-CB 3.17Å; K95-I98 PolarHBondContact O-N 2.81Å; K95-Y99 HydrophobicContact CB-CD2 4.5Å; K95-Y99 VanDerWaalsContact O-CD2 3.25Å; K95-Y99 WeakPolarHBondContact O-CD2 3.27Å; K95-Y99 PolarHBondContact O-N 3.25Å
96R89.4Confident89.3Confident91 Ų9152.9 Ų52.934%0.34329%0.287SS..Hα-helixtrans-56.3-41.1177.5-62.2-166.7-58-167.82.7112.2V87 S89 L91 D92 V93 Y99 A100V87-R96 HydrophobicContact CG1-CB 4.11Å; V87-R96 HydrophobicContact CG1-CG 3.77Å; S89-R96 PolarHBondContact O-NH1 3.15Å; L91-R96 HydrophobicContact CB-CG 3.7Å; D92-R96 PolarHBondContact O-N 3.16Å; V93-R96 PolarHBondContact O-N 3.07Å; R96-Y99 PolarHBondContact O-N 2.78Å; R96-A100 WeakPolarHBondContact O-CB 3.43Å; R96-A100 PolarHBondContact O-N 3.27Å
97M88.5Confident89.1Confident121 Ų12157 Ų5760%0.59631%0.305SS*.Hα-helixtrans-63-41.4174.4-71.4-178.177.700112.6V93 R94 K95 A100 A101V93-M97 WeakPolarHBondContact O-CG 3.21Å; V93-M97 PolarHBondContact O-N 3.46Å; R94-M97 PolarHBondContact O-N 3.06Å; K95-M97 VanDerWaalsContact C-N 3.26Å; K95-M97 PolarHBondContact O-N 3.17Å; M97-A100 PolarHBondContact O-N 2.84Å; M97-A101 WeakPolarHBondContact O-CB 3.26Å; M97-A101 PolarHBondContact O-N 3.27Å
98I90Very high88.9Confident22 Ų2260.2 Ų60.211%0.11333%0.333CS..Hα-helixtrans-64.1-44.5176.3-66.4155.8000110.3V5 I31 D34 R94 K95 A101 S102V5-I98 HydrophobicContact CG2-CG2 4.27Å; I31-I98 HydrophobicContact CD1-CG2 3.96Å; I31-I98 HydrophobicContact CG2-CG2 4.45Å; D34-I98 HydrophobicContact CB-CD1 3.73Å; D34-I98 HydrophobicContact CB-CG2 4.33Å; D34-I98 VanDerWaalsContact CG-CD1 3.46Å; R94-I98 HydrophobicContact CG-CD1 4.07Å; R94-I98 WeakPolarHBondContact O-CD1 3.47Å; R94-I98 WeakPolarHBondContact O-CG1 3.4Å; R94-I98 PolarHBondContact O-N 3.09Å; K95-I98 CarbonylContact O-C 3.55Å; K95-I98 WeakPolarHBondContact O-CA 3.46Å; K95-I98 WeakPolarHBondContact O-CB 3.17Å; K95-I98 PolarHBondContact O-N 2.81Å; I98-A101 PolarHBondContact O-N 2.5Å; I98-S102 WeakPolarHBondContact O-CB 3.09Å; I98-S102 PolarHBondContact O-N 3.45Å; I98-S102 PolarHBondContact O-OG 3.3Å
99Y90.7Very high88.7Confident7 Ų761.9 Ų61.93%0.02735%0.345CS..Hα-helixtrans-64-44.2175.2-80.4-84.2000111.9I31 G65 Y67 V87 K95 R96 A101 S102 K103I31-Y99 HydrophobicContact CB-CE1 4.36Å; I31-Y99 HydrophobicContact CD1-CD1 3.66Å; I31-Y99 HydrophobicContact CD1-CD2 4.34Å; I31-Y99 HydrophobicContact CD1-CE1 3.67Å; I31-Y99 HydrophobicContact CD1-CE2 4.34Å; I31-Y99 HydrophobicContact CD1-CG 3.97Å; I31-Y99 HydrophobicContact CG1-CD1 4.21Å; I31-Y99 HydrophobicContact CG1-CE1 3.73Å; G65-Y99 VanDerWaalsContact C-CZ 3.46Å; G65-Y99 WeakPolarHBondContact O-CE1 3.29Å; G65-Y99 VanDerWaalsContact O-CZ 3.28Å; G65-Y99 PolarHBondContact O-OH 3.2Å; Y67-Y99 HydrophobicContact CE1-CD1 4.09Å; Y67-Y99 AromaticContact CE2-CD1 3.87Å; Y67-Y99 HydrophobicContact CE2-CD1 3.87Å; Y67-Y99 HydrophobicContact CE2-CE1 4.23Å; Y67-Y99 AromaticContact CZ-CD1 3.59Å; Y67-Y99 WeakPolarHBondContact OH-CA 3.49Å; Y67-Y99 PolarHBondContact OH-O 3.14Å; V87-Y99 HydrophobicContact CG2-CD1 4.37Å; V87-Y99 HydrophobicContact CG2-CG 4.15Å; K95-Y99 HydrophobicContact CB-CD2 4.5Å; K95-Y99 VanDerWaalsContact O-CD2 3.25Å; K95-Y99 WeakPolarHBondContact O-CD2 3.27Å; K95-Y99 PolarHBondContact O-N 3.25Å; R96-Y99 PolarHBondContact O-N 2.78Å; Y99-A101 VanDerWaalsContact C-N 3.29Å; Y99-A101 PolarHBondContact O-N 2.95Å; Y99-S102 PolarHBondContact O-N 3.43Å; Y99-K103 WeakPolarHBondContact O-CB 3.35Å; Y99-K103 PolarHBondContact O-N 3.32Å
100A88.6Confident88.7Confident67 Ų6759.3 Ų59.355%0.55433%0.326SS*.Hα-helixtrans-59.7-41.7177.600000111.9R96 M97R96-A100 WeakPolarHBondContact O-CB 3.43Å; R96-A100 PolarHBondContact O-N 3.27Å; M97-A100 PolarHBondContact O-N 2.84Å
101A88.7Confident88.7Confident28 Ų2859.8 Ų59.823%0.23133%0.329CS..Hα-helixtrans-78.4-35.8-17900000113.6T3 M97 I98 Y99 K103T3-A101 HydrophobicContact CG2-CB 3.29Å; M97-A101 WeakPolarHBondContact O-CB 3.26Å; M97-A101 PolarHBondContact O-N 3.27Å; I98-A101 PolarHBondContact O-N 2.5Å; Y99-A101 VanDerWaalsContact C-N 3.29Å; Y99-A101 PolarHBondContact O-N 2.95Å; A101-K103 VanDerWaalsContact C-N 3.29Å; A101-K103 PolarHBondContact O-N 3.02Å
102S89.9Confident88.4Confident0 Ų061.3 Ų61.30%035%0.346CS..Hα-helixtrans-73.5-22179.5-53.60000112.8V5 I98 Y99 C104 V105 L106V5-S102 WeakPolarHBondContact CB-OG 3.29Å; V5-S102 VanDerWaalsContact CG2-OG 3.31Å; V5-S102 WeakPolarHBondContact CG2-OG 3.39Å; I98-S102 WeakPolarHBondContact O-CB 3.09Å; I98-S102 PolarHBondContact O-N 3.45Å; I98-S102 PolarHBondContact O-OG 3.3Å; Y99-S102 PolarHBondContact O-N 3.43Å; S102-C104 VanDerWaalsContact C-N 3.26Å; S102-C104 PolarHBondContact O-N 2.79Å; S102-V105 WeakPolarHBondContact O-CB 3.42Å; S102-V105 PolarHBondContact O-N 3.05Å; S102-L106 PolarHBondContact O-N 2.94Å; S102-L106 VanDerWaalsContact O-N 3.09Å
103K90.2Very high88.4Confident19 Ų1957.8 Ų57.88%0.08333%0.328CS..Hα-helixtrans-52.1-44.7175176177168.5174.10111.6Y67 F83 Y99 A101 V105 L106 K107 E116 E118Y67-K103 HydrophobicContact CE1-CB 4.02Å; Y67-K103 PolarHBondContact OH-N 3.39Å; Y67-K103 VanDerWaalsContact OH-N 3.16Å; F83-K103 HydrophobicContact CE1-CD 4.1Å; F83-K103 HydrophobicContact CE1-CG 3.89Å; F83-K103 HydrophobicContact CZ-CG 4.23Å; Y99-K103 WeakPolarHBondContact O-CB 3.35Å; Y99-K103 PolarHBondContact O-N 3.32Å; A101-K103 VanDerWaalsContact C-N 3.29Å; A101-K103 PolarHBondContact O-N 3.02Å; K103-V105 VanDerWaalsContact C-N 3.32Å; K103-V105 PolarHBondContact O-N 2.92Å; K103-L106 PolarHBondContact O-N 3.5Å; K103-K107 VanDerWaalsContact O-CB 3.28Å; K103-K107 WeakPolarHBondContact O-CB 3.47Å; K103-K107 PolarHBondContact O-N 3.02Å; K103-E116 VanDerWaalsContact CE-OE2 3.26Å; K103-E116 WeakPolarHBondContact CE-OE2 3.15Å; K103-E116 IonicContact NZ-OE2 2.63Å; K103-E116 PolarHBondContact NZ-OE2 3.33Å; K103-E118 IonicContact NZ-OE1 3.44Å; K103-E118 PolarHBondContact NZ-OE1 3.42Å
104C87.5Confident88Confident92 Ų9264.4 Ų64.462%0.62234%0.343SS*.Hα-helixtrans-62.9-38.6179.6-68.70000112.4S102 A108S102-C104 VanDerWaalsContact C-N 3.26Å; S102-C104 PolarHBondContact O-N 2.79Å; C104-A108 WeakPolarHBondContact O-CB 3.45Å; C104-A108 PolarHBondContact O-N 3.3Å
105V88.4Confident88Confident45 Ų4559.8 Ų59.827%0.27333%0.325SS..Hα-helixtrans-65.5-48.3178.7-1780000110.4C7 S102 K103 A108 S109C7-V105 HydrophobicContact CB-CG1 4.33Å; S102-V105 WeakPolarHBondContact O-CB 3.42Å; S102-V105 PolarHBondContact O-N 3.05Å; K103-V105 VanDerWaalsContact C-N 3.32Å; K103-V105 PolarHBondContact O-N 2.92Å; V105-A108 PolarHBondContact O-N 3.28Å; V105-S109 PolarHBondContact O-N 3.49Å; V105-S109 PolarHBondContact O-OG 3.04Å
106L89.9Confident88.1Confident0 Ų059.9 Ų59.90%033%0.327CS..Hα-helixtrans-62.9-47.7178.3-173.455.9000111.1C11 F29 I37 Y67 F83 S102 K103 A108 S109 L110C11-L106 HydrophobicContact CB-CD1 4.38Å; F29-L106 HydrophobicContact CB-CD2 4.18Å; F29-L106 HydrophobicContact CD2-CD2 4.04Å; F29-L106 HydrophobicContact CG-CD2 4.1Å; I37-L106 HydrophobicContact CD1-CB 3.97Å; I37-L106 HydrophobicContact CG2-CD1 4.04Å; I37-L106 HydrophobicContact CG2-CD2 4.2Å; Y67-L106 HydrophobicContact CD2-CD2 3.46Å; Y67-L106 VanDerWaalsContact CD2-CD2 3.46Å; Y67-L106 HydrophobicContact CE2-CD2 4.21Å; Y67-L106 HydrophobicContact CG-CD2 3.71Å; F83-L106 HydrophobicContact CE2-CD2 3.76Å; F83-L106 HydrophobicContact CE2-CG 4.26Å; F83-L106 HydrophobicContact CZ-CD2 4.21Å; S102-L106 PolarHBondContact O-N 2.94Å; S102-L106 VanDerWaalsContact O-N 3.09Å; K103-L106 PolarHBondContact O-N 3.5Å; L106-A108 VanDerWaalsContact C-N 3.27Å; L106-A108 PolarHBondContact O-N 2.9Å; L106-S109 WeakPolarHBondContact O-CA 3.06Å; L106-S109 WeakPolarHBondContact O-CB 3.25Å; L106-S109 PolarHBondContact O-N 3.44Å; L106-L110 HydrophobicContact CD1-CD1 4.09Å; L106-L110 HydrophobicContact CD1-CD2 4.47Å; L106-L110 HydrophobicContact CD1-CG 4.19Å; L106-L110 HydrophobicContact CD2-CD1 4.31Å; L106-L110 HydrophobicContact CG-CD1 3.72Å; L106-L110 HydrophobicContact CG-CG 4.23Å; L106-L110 WeakPolarHBondContact O-CG 3.47Å; L106-L110 PolarHBondContact O-N 3.38Å; L106-L110 VanDerWaalsContact O-N 3.07Å
107K88.9Confident88.2Confident88 Ų8856.3 Ų56.338%0.38332%0.315SS..Hα-helixtrans-60.6-35.7-179.2-169.9175.2179.5174.80112.4K103 S109 L110 E116K103-K107 VanDerWaalsContact O-CB 3.28Å; K103-K107 WeakPolarHBondContact O-CB 3.47Å; K103-K107 PolarHBondContact O-N 3.02Å; K107-S109 VanDerWaalsContact C-N 3.26Å; K107-S109 PolarHBondContact O-N 3.46Å; K107-L110 PolarHBondContact O-N 2.9Å; K107-E116 IonicContact NZ-OE1 3.71Å; K107-E116 PolarHBondContact NZ-OE1 3.05Å; K107-E116 IonicContact NZ-OE2 2.83Å; K107-E116 PolarHBondContact NZ-OE2 2.91Å
108A88.2Confident88.3Confident77 Ų7755.9 Ų55.964%0.63631%0.311SS*.Hα-helixtrans-63.6-31.4174.500000112.7C104 V105 L106C104-A108 WeakPolarHBondContact O-CB 3.45Å; C104-A108 PolarHBondContact O-N 3.3Å; V105-A108 PolarHBondContact O-N 3.28Å; L106-A108 VanDerWaalsContact C-N 3.27Å; L106-A108 PolarHBondContact O-N 2.9Å
109S87.8Confident88.3Confident35 Ų3554.9 Ų54.925%0.24531%0.306CS..Hα-helixtrans-79.3-29.4174.7-54.90000113.4V105 L106 K107 V111V105-S109 PolarHBondContact O-N 3.49Å; V105-S109 PolarHBondContact O-OG 3.04Å; L106-S109 WeakPolarHBondContact O-CA 3.06Å; L106-S109 WeakPolarHBondContact O-CB 3.25Å; L106-S109 PolarHBondContact O-N 3.44Å; K107-S109 VanDerWaalsContact C-N 3.26Å; K107-S109 PolarHBondContact O-N 3.46Å; S109-V111 VanDerWaalsContact C-N 3.34Å; S109-V111 PolarHBondContact O-N 3.46Å; S109-V111 VanDerWaalsContact O-N 3.09Å
110L88.9Confident88.3Confident6 Ų657.8 Ų57.83%0.03132%0.322CS..SBendtrans-87.363.7-175.8-59.2174.6000112.6F15 F29 V69 F83 L106 K107 G112 V113F15-L110 HydrophobicContact CB-CD2 3.46Å; F15-L110 VanDerWaalsContact CB-CD2 3.46Å; F15-L110 HydrophobicContact CD1-CB 4.45Å; F15-L110 HydrophobicContact CD1-CD2 3.86Å; F15-L110 HydrophobicContact CD2-CB 4.46Å; F15-L110 HydrophobicContact CD2-CD2 3.58Å; F15-L110 HydrophobicContact CE1-CB 4.29Å; F15-L110 HydrophobicContact CE1-CD2 4.5Å; F15-L110 HydrophobicContact CE2-CB 4.28Å; F15-L110 HydrophobicContact CE2-CD2 4.24Å; F15-L110 HydrophobicContact CG-CD2 3.34Å; F15-L110 HydrophobicContact CG-CG 4.49Å; F15-L110 HydrophobicContact CZ-CB 4.2Å; F29-L110 HydrophobicContact CZ-CD2 4.31Å; V69-L110 HydrophobicContact CG2-CD1 3.61Å; F83-L110 HydrophobicContact CD2-CD1 3.85Å; F83-L110 HydrophobicContact CE2-CD1 3.96Å; L106-L110 HydrophobicContact CD1-CD1 4.09Å; L106-L110 HydrophobicContact CD1-CD2 4.47Å; L106-L110 HydrophobicContact CD1-CG 4.19Å; L106-L110 HydrophobicContact CD2-CD1 4.31Å; L106-L110 HydrophobicContact CG-CD1 3.72Å; L106-L110 HydrophobicContact CG-CG 4.23Å; L106-L110 WeakPolarHBondContact O-CG 3.47Å; L106-L110 PolarHBondContact O-N 3.38Å; L106-L110 VanDerWaalsContact O-N 3.07Å; K107-L110 PolarHBondContact O-N 2.9Å; L110-G112 PolarHBondContact O-N 2.93Å; L110-G112 VanDerWaalsContact O-N 3.1Å; L110-V113 HydrophobicContact CB-CG2 4.01Å; L110-V113 PolarHBondContact O-N 2.9Å
111V85.9Confident88.4Confident105 Ų10558.2 Ų58.264%0.63632%0.315SS*.THydrogen-bonded Turntrans-66.3110.6-175.2-175.80000111.7K19 S109K19-V111 PolarHBondContact NZ-O 2.83Å; S109-V111 VanDerWaalsContact C-N 3.34Å; S109-V111 PolarHBondContact O-N 3.46Å; S109-V111 VanDerWaalsContact O-N 3.09Å
112G82.8Confident88.3Confident40 Ų4058.8 Ų58.841%0.41232%0.316SS..THydrogen-bonded Turntrans124.1-7.1175.600000114.8L110 R114L110-G112 PolarHBondContact O-N 2.93Å; L110-G112 VanDerWaalsContact O-N 3.1Å; G112-R114 PolarHBondContact O-N 2.74Å
113V86.9Confident88.1Confident25 Ų2564 Ų6415%0.15234%0.344CS..  trans-70.6115.1170.5-1770000109.4F15 V69 L81 F83 L110 R115F15-V113 HydrophobicContact CE2-CG2 3.53Å; F15-V113 HydrophobicContact CZ-CG2 3.71Å; V69-V113 HydrophobicContact CG1-CG2 4.49Å; V69-V113 HydrophobicContact CG2-CG2 4.4Å; L81-V113 HydrophobicContact CB-CG2 4.28Å; L81-V113 WeakPolarHBondContact O-CG1 3.41Å; F83-V113 HydrophobicContact CB-CG1 3.47Å; F83-V113 VanDerWaalsContact CB-CG1 3.47Å; L110-V113 HydrophobicContact CB-CG2 4.01Å; L110-V113 PolarHBondContact O-N 2.9Å; V113-R115 WeakPolarHBondContact CG1-O 3.39Å
114R80.5Confident87.9Confident233 Ų23366.9 Ų66.988%0.87936%0.358SS*.  trans-96.2-24.6-177-64.4-175.6-179-164.9-0.2113.3G112G112-R114 PolarHBondContact O-N 2.74Å
115R88.3Confident87.8Confident98 Ų9862.5 Ų62.537%0.3733%0.328SS..EExtended strand (participates in β ladder)trans-116.2141.1-174.9-63-58.9-163.1-165.55.4109.5I82 F83 V113 R133I82-R115 HydrophobicContact CB-CB 4.45Å; I82-R115 HydrophobicContact CG1-CB 4.06Å; I82-R115 HydrophobicContact CG2-CB 4.34Å; F83-R115 PolarHBondContact N-O 2.84Å; V113-R115 WeakPolarHBondContact CG1-O 3.39Å; R115-R133 HydrophobicContact CB-CG 4.23Å; R115-R133 PolarHBondContact NE-O 2.99Å
116E90.5Very high87.7Confident59 Ų5964.3 Ų64.328%0.27633%0.333SS..EExtended strand (participates in β ladder)trans-131.1145.5172.171.5-167.9144.200110.8F83 K103 K107 R133F83-E116 HydrophobicContact CB-CB 4.39Å; F83-E116 HydrophobicContact CD1-CB 4.36Å; F83-E116 CarbonylContact O-C 3.3Å; F83-E116 WeakPolarHBondContact O-CA 3.34Å; K103-E116 VanDerWaalsContact CE-OE2 3.26Å; K103-E116 WeakPolarHBondContact CE-OE2 3.15Å; K103-E116 IonicContact NZ-OE2 2.63Å; K103-E116 PolarHBondContact NZ-OE2 3.33Å; K107-E116 IonicContact NZ-OE1 3.71Å; K107-E116 PolarHBondContact NZ-OE1 3.05Å; K107-E116 IonicContact NZ-OE2 2.83Å; K107-E116 PolarHBondContact NZ-OE2 2.91Å; E116-R133 PolarHBondContact O-NE 3.44Å
117V91Very high87.6Confident15 Ų1569.1 Ų69.19%0.09136%0.356CS..EExtended strand (participates in β ladder)trans-126.2126.7174.5176.40000106.5I82 F83 V84 S85 M130 R133I82-V117 HydrophobicContact CG2-CB 4.41Å; I82-V117 HydrophobicContact CG2-CG2 3.65Å; F83-V117 PolarHBondContact O-N 3.37Å; V84-V117 CarbonylContact C-O 3.47Å; V84-V117 WeakPolarHBondContact CA-O 3.43Å; S85-V117 PolarHBondContact N-O 2.88Å; V117-M130 HydrophobicContact CB-SD 4.46Å; V117-M130 HydrophobicContact CG1-CE 4.37Å; V117-M130 HydrophobicContact CG2-SD 3.97Å; V117-R133 HydrophobicContact CG2-CB 3.93Å; V117-R133 HydrophobicContact CG2-CG 3.78Å
118E91.1Very high87.4Confident113 Ų11369.4 Ų69.453%0.52836%0.359SS..EExtended strand (participates in β ladder)trans-108.5128.5170.5-64.4-176.5177.700106.7K103K103-E118 IonicContact NZ-OE1 3.44Å; K103-E118 PolarHBondContact NZ-OE1 3.42Å
119A90.7Very high87.3Confident0 Ų069.3 Ų69.30%035%0.345CS..EExtended strand (participates in β ladder)trans-136.2127-178.700000109.2S85 W86 V87 E124 I125S85-A119 PolarHBondContact O-N 2.8Å; S85-A119 VanDerWaalsContact O-O 3.12Å; W86-A119 WeakPolarHBondContact CA-O 3.48Å; W86-A119 HydrophobicContact CE3-CB 3.63Å; W86-A119 HydrophobicContact CZ3-CB 3.84Å; V87-A119 PolarHBondContact N-O 2.82Å; A119-E124 HydrophobicContact CB-CB 3.56Å; A119-I125 HydrophobicContact CB-CG2 3.35Å
120N90.7Very high87.1Confident68 Ų6867.7 Ų67.736%0.36433%0.333SS..SBendtrans-118.9-12.5-179.8-47.3-82.5000111.5V87 P88 S89 E124V87-N120 WeakPolarHBondContact O-CA 3.21Å; V87-N120 WeakPolarHBondContact O-CB 3.42Å; V87-N120 PolarHBondContact O-OD1 2.57Å; P88-N120 WeakPolarHBondContact CA-O 3.38Å; S89-N120 PolarHBondContact N-O 3.32Å; N120-E124 PolarHBondContact N-OE2 3.44Å
121D89.2Confident86.9Confident77 Ų7773.9 Ų73.941%0.41236%0.356SS..SBendtrans-131.2156.7175.6-145.7-67.7000112.3W86 D123 E124W86-D121 VanDerWaalsContact CH2-C 3.41Å; W86-D121 WeakPolarHBondContact CH2-O 3.34Å; W86-D121 WeakPolarHBondContact CZ3-O 3.36Å; D121-D123 PolarHBondContact O-N 3.44Å; D121-E124 PolarHBondContact N-OE2 2.85Å; D121-E124 VanDerWaalsContact N-OE2 3.14Å; D121-E124 WeakPolarHBondContact O-CB 3.48Å; D121-E124 PolarHBondContact O-N 2.86Å
122V86.6Confident86.8Confident39 Ų3974 Ų7424%0.23635%0.348CS..G310 helixtrans-63.3-28-172178.10000111.7L57 M60 W86 E124 I125L57-V122 HydrophobicContact CD2-CB 4.39Å; L57-V122 HydrophobicContact CD2-CG1 3.89Å; L57-V122 HydrophobicContact CD2-CG2 3.62Å; M60-V122 HydrophobicContact SD-CG2 4.12Å; W86-V122 HydrophobicContact CH2-CG2 4.17Å; W86-V122 HydrophobicContact CZ2-CG2 4.47Å; V122-E124 VanDerWaalsContact C-N 3.3Å; V122-E124 PolarHBondContact O-N 3.34Å; V122-I125 WeakPolarHBondContact O-CG1 3.37Å; V122-I125 PolarHBondContact O-N 3.27Å
123D85.4Confident86.8Confident111 Ų11177.7 Ų77.759%0.59435%0.35SS*.G310 helixtrans-68-29.6175.7-61.7-39.5000112.2D121 I125 E126D121-D123 PolarHBondContact O-N 3.44Å; D123-I125 VanDerWaalsContact C-N 3.31Å; D123-I125 PolarHBondContact O-N 3.07Å; D123-E126 WeakPolarHBondContact O-CG 3.48Å; D123-E126 PolarHBondContact O-N 3.43Å
124E86.6Confident86.3Confident79 Ų7977 Ų7737%0.36935%0.346SS..G310 helixtrans-79.9-13.2-179-62.5-179.2117.500113.1A119 N120 D121 V122A119-E124 HydrophobicContact CB-CB 3.56Å; N120-E124 PolarHBondContact N-OE2 3.44Å; D121-E124 PolarHBondContact N-OE2 2.85Å; D121-E124 VanDerWaalsContact N-OE2 3.14Å; D121-E124 WeakPolarHBondContact O-CB 3.48Å; D121-E124 PolarHBondContact O-N 2.86Å; V122-E124 VanDerWaalsContact C-N 3.3Å; V122-E124 PolarHBondContact O-N 3.34Å
125I86.4Confident85.7Confident0 Ų069.9 Ų69.90%033%0.332CS..G310 helixtrans-99.916.7172.560.9171000112.3Y49 K53 L56 L57 W86 A119 V122 D123Y49-I125 VanDerWaalsContact CE1-O 3.29Å; Y49-I125 WeakPolarHBondContact CE1-O 3.41Å; Y49-I125 VanDerWaalsContact CZ-O 3.32Å; Y49-I125 PolarHBondContact OH-O 3.3Å; K53-I125 HydrophobicContact CG-CD1 3.94Å; K53-I125 HydrophobicContact CG-CG1 4.46Å; L56-I125 HydrophobicContact CB-CD1 4.16Å; L56-I125 HydrophobicContact CD1-CB 4.27Å; L56-I125 HydrophobicContact CD1-CD1 4.05Å; L56-I125 HydrophobicContact CD1-CG2 3.99Å; L57-I125 HydrophobicContact CD2-CD1 4.33Å; W86-I125 HydrophobicContact CD2-CG2 4.02Å; W86-I125 HydrophobicContact CE3-CD1 4.4Å; W86-I125 HydrophobicContact CE3-CG2 3.25Å; W86-I125 HydrophobicContact CH2-CD1 3.89Å; W86-I125 HydrophobicContact CH2-CG1 4.24Å; W86-I125 HydrophobicContact CH2-CG2 4.29Å; W86-I125 HydrophobicContact CZ2-CD1 3.98Å; W86-I125 HydrophobicContact CZ3-CB 4.4Å; W86-I125 HydrophobicContact CZ3-CD1 4.11Å; W86-I125 HydrophobicContact CZ3-CG1 4.15Å; W86-I125 HydrophobicContact CZ3-CG2 3.43Å; W86-I125 VanDerWaalsContact CZ3-CG2 3.43Å; A119-I125 HydrophobicContact CB-CG2 3.35Å; V122-I125 WeakPolarHBondContact O-CG1 3.37Å; V122-I125 PolarHBondContact O-N 3.27Å; D123-I125 VanDerWaalsContact C-N 3.31Å; D123-I125 PolarHBondContact O-N 3.07Å
126E86.6Confident85.6Confident82 Ų8268.5 Ų68.538%0.38333%0.33SS..SBendtrans-68.1149171.6-67.6-155.8143.800112K53 D123 E128 E129 M130K53-E126 IonicContact NZ-OE1 2.57Å; D123-E126 WeakPolarHBondContact O-CG 3.48Å; D123-E126 PolarHBondContact O-N 3.43Å; E126-E128 PolarHBondContact O-N 3.14Å; E126-E128 VanDerWaalsContact O-N 3.13Å; E126-E129 PolarHBondContact O-N 3.14Å; E126-M130 PolarHBondContact O-N 2.98Å
127E86.3Confident85.3Confident102 Ų10268.9 Ų68.948%0.47733%0.333SS..Hα-helixtrans-58.6-29.5-179.3-167.9173.5176.700111.4Y49 E129 M130 R131Y49-E127 HydrophobicContact CD1-CB 3.51Å; Y49-E127 HydrophobicContact CD1-CG 3.92Å; Y49-E127 HydrophobicContact CD2-CG 4.25Å; Y49-E127 VanDerWaalsContact CE1-CA 3.46Å; Y49-E127 HydrophobicContact CE1-CB 3.65Å; Y49-E127 HydrophobicContact CE1-CG 4.34Å; Y49-E127 VanDerWaalsContact CE1-N 3.28Å; Y49-E127 HydrophobicContact CG-CB 4Å; Y49-E127 HydrophobicContact CG-CG 3.85Å; E127-E129 VanDerWaalsContact C-N 3.33Å; E127-E129 PolarHBondContact O-N 3.45Å; E127-M130 WeakPolarHBondContact O-CB 3.45Å; E127-M130 PolarHBondContact O-N 2.96Å; E127-R131 WeakPolarHBondContact O-CB 3.49Å; E127-R131 PolarHBondContact O-N 3.19Å
128E86.1Confident85Confident94 Ų9471.9 Ų71.944%0.43935%0.347SS..Hα-helixtrans-60.9-40.8176.8-164.1-176.1143.500112.4E126 R131 K132E126-E128 PolarHBondContact O-N 3.14Å; E126-E128 VanDerWaalsContact O-N 3.13Å; E128-R131 WeakPolarHBondContact O-CB 3.33Å; E128-R131 PolarHBondContact O-N 3.16Å; E128-K132 WeakPolarHBondContact O-CG 3.44Å; E128-K132 PolarHBondContact O-N 3.02Å; E128-K132 WeakPolarHBondContact OE1-CE 3.46Å; E128-K132 IonicContact OE1-NZ 2.85Å; E128-K132 PolarHBondContact OE1-NZ 2.97Å
129E85.5Confident84.6Confident75 Ų7569.5 Ų69.535%0.3534%0.336SS..Hα-helixtrans-66.8-39.6177.9-69.3-55.6118.600111.4E126 E127 R131 K132 R133E126-E129 PolarHBondContact O-N 3.14Å; E127-E129 VanDerWaalsContact C-N 3.33Å; E127-E129 PolarHBondContact O-N 3.45Å; E129-R131 PolarHBondContact O-N 3.36Å; E129-K132 PolarHBondContact O-N 2.98Å; E129-K132 WeakPolarHBondContact OE1-CD 3.38Å; E129-K132 IonicContact OE1-NZ 3.44Å; E129-K132 PolarHBondContact OE1-NZ 3.33Å; E129-R133 PolarHBondContact O-N 3.26Å
130M84.1Confident84.2Confident0 Ų073.9 Ų73.90%036%0.357CS..Hα-helixtrans-61.2-44.6171.6-67.7-66.2178.100111.7Y49 F52 Y72 I82 V84 V117 E126 E127 K132 R133 A134Y49-M130 HydrophobicContact CE2-CB 4.41Å; Y49-M130 HydrophobicContact CE2-CE 4.41Å; Y49-M130 HydrophobicContact CE2-CG 3.66Å; Y49-M130 WeakPolarHBondContact OH-CG 3.49Å; F52-M130 HydrophobicContact CE1-CE 4.2Å; Y72-M130 HydrophobicContact CD2-CB 4.12Å; Y72-M130 HydrophobicContact CE2-CB 3.85Å; I82-M130 HydrophobicContact CD1-SD 4.48Å; I82-M130 HydrophobicContact CG2-SD 3.99Å; V84-M130 HydrophobicContact CB-CE 4.03Å; V84-M130 HydrophobicContact CG1-CE 3.59Å; V84-M130 HydrophobicContact CG2-CE 3.22Å; V84-M130 HydrophobicContact CG2-SD 3.93Å; V117-M130 HydrophobicContact CB-SD 4.46Å; V117-M130 HydrophobicContact CG1-CE 4.37Å; V117-M130 HydrophobicContact CG2-SD 3.97Å; E126-M130 PolarHBondContact O-N 2.98Å; E127-M130 WeakPolarHBondContact O-CB 3.45Å; E127-M130 PolarHBondContact O-N 2.96Å; M130-K132 PolarHBondContact O-N 2.85Å; M130-R133 PolarHBondContact O-N 2.91Å; M130-R133 VanDerWaalsContact O-N 3.15Å; M130-A134 WeakPolarHBondContact O-CB 3.37Å; M130-A134 PolarHBondContact O-N 3.08Å
131R84.3Confident83.8Confident136 Ų13674.3 Ų74.351%0.51336%0.357SS..Hα-helixtrans-63.1-40.1179-169.2-177.970172.8-1.6112.1Y72 E127 E128 E129 R133 S135Y72-R131 HydrophobicContact CE1-CB 4.37Å; E127-R131 WeakPolarHBondContact O-CB 3.49Å; E127-R131 PolarHBondContact O-N 3.19Å; E128-R131 WeakPolarHBondContact O-CB 3.33Å; E128-R131 PolarHBondContact O-N 3.16Å; E129-R131 PolarHBondContact O-N 3.36Å; R131-R133 VanDerWaalsContact C-N 3.3Å; R131-S135 WeakPolarHBondContact O-CB 3.36Å; R131-S135 PolarHBondContact O-N 2.74Å; R131-S135 VanDerWaalsContact O-N 3.17Å; R131-S135 PolarHBondContact O-OG 3.07Å
132K84.3Confident83.4Confident107 Ų10774.1 Ų74.147%0.46535%0.353SS..Hα-helixtrans-61.9-39.3174.1-74.9169.9-173.5158.60111E128 E129 M130E128-K132 WeakPolarHBondContact O-CG 3.44Å; E128-K132 PolarHBondContact O-N 3.02Å; E128-K132 WeakPolarHBondContact OE1-CE 3.46Å; E128-K132 IonicContact OE1-NZ 2.85Å; E128-K132 PolarHBondContact OE1-NZ 2.97Å; E129-K132 PolarHBondContact O-N 2.98Å; E129-K132 WeakPolarHBondContact OE1-CD 3.38Å; E129-K132 IonicContact OE1-NZ 3.44Å; E129-K132 PolarHBondContact OE1-NZ 3.33Å; M130-K132 PolarHBondContact O-N 2.85Å
133R82.3Confident83.2Confident119 Ų11976.8 Ų76.845%0.44936%0.362SS..Hα-helixtrans-78.9-29.3-179.5-155.566.2168.2156.4-2.8114.4R115 E116 V117 E129 M130 R131 S135R115-R133 HydrophobicContact CB-CG 4.23Å; R115-R133 PolarHBondContact NE-O 2.99Å; E116-R133 PolarHBondContact O-NE 3.44Å; V117-R133 HydrophobicContact CG2-CB 3.93Å; V117-R133 HydrophobicContact CG2-CG 3.78Å; E129-R133 PolarHBondContact O-N 3.26Å; M130-R133 PolarHBondContact O-N 2.91Å; M130-R133 VanDerWaalsContact O-N 3.15Å; R131-R133 VanDerWaalsContact C-N 3.3Å; R133-S135 VanDerWaalsContact C-N 3.28Å
134A76.1Confident83Confident9 Ų973.9 Ų73.97%0.07434%0.342CS..Hα-helixtrans-72.9-22.4173.500000113.1Y72 V74 I82 M130Y72-A134 HydrophobicContact CD1-CB 3.27Å; Y72-A134 HydrophobicContact CE1-CB 3.76Å; Y72-A134 HydrophobicContact CG-CB 4.1Å; V74-A134 HydrophobicContact CG2-CB 4.23Å; I82-A134 HydrophobicContact CD1-CB 3.9Å; M130-A134 WeakPolarHBondContact O-CB 3.37Å; M130-A134 PolarHBondContact O-N 3.08Å
135S67.5Low82.7Confident84 Ų8473.5 Ų73.559%0.58734%0.34SS*.  trans-77.40-171.5-76.90000114.9K77 R131 R133K77-S135 PolarHBondContact NZ-O 3.37Å; K77-S135 PolarHBondContact NZ-OG 2.9Å; R131-S135 WeakPolarHBondContact O-CB 3.36Å; R131-S135 PolarHBondContact O-N 2.74Å; R131-S135 VanDerWaalsContact O-N 3.17Å; R131-S135 PolarHBondContact O-OG 3.07Å; R133-S135 VanDerWaalsContact C-N 3.28Å

Retrieved 135 of 135 residues in 84.5 ms (Link to these results)

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