G4VPD9_SCHMA Loading...

Putative polcalcin Che a 3 (Calcium-binding pollen allergen Che a 3)

AlphaFold DB , UniProt , Accession G4VPD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 70 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
1M46.7Very low73.4Confident230 Ų23095.2 Ų95.2100%1.13348%0.478SS*.  0113.20-63.3-164.1-176.800105.8
2S70Confident74.1Confident73 Ų7397.5 Ų97.551%0.5149%0.486SS..  trans-74.4138.1-175.8-50.50000108.7K4 E5S2-K4 PolarHBondContact O-N 3.35Å; S2-E5 VanDerWaalsContact CB-OE2 3.24Å; S2-E5 WeakPolarHBondContact CB-OE2 3.37Å; S2-E5 PolarHBondContact N-OE2 2.93Å; S2-E5 PolarHBondContact O-N 3.07Å; S2-E5 PolarHBondContact OG-OE2 2.93Å
3N69.9Low74.6Confident115 Ų115103.5 Ų103.562%0.61551%0.507SS*.Hα-helixtrans-53.9-31.6178.6-65.7-20.3000112E5 A6 L7 I67N3-E5 VanDerWaalsContact C-N 3.34Å; N3-E5 PolarHBondContact O-N 3.17Å; N3-A6 PolarHBondContact O-N 3.15Å; N3-L7 PolarHBondContact O-N 3.26Å; N3-L7 VanDerWaalsContact O-N 3.13Å; N3-I67 HydrophobicContact CB-CD1 3.53Å
4K72.9Confident74.8Confident115 Ų11599.1 Ų99.150%0.549%0.487SS..Hα-helixtrans-53.1-42.3171.2-178169.9179.3167.60114.1S2 A6 L7 I8 F58S2-K4 PolarHBondContact O-N 3.35Å; K4-A6 PolarHBondContact O-N 3Å; K4-L7 PolarHBondContact O-N 2.74Å; K4-I8 HydrophobicContact CD-CD1 4.47Å; K4-I8 HydrophobicContact CG-CD1 3.76Å; K4-I8 HydrophobicContact CG-CG1 4.38Å; K4-I8 VanDerWaalsContact O-CG1 3.24Å; K4-I8 WeakPolarHBondContact O-CG1 3.44Å; K4-I8 PolarHBondContact O-N 3.5Å; K4-F58 HydrophobicContact CG-CZ 4.31Å
5E79.3Confident75.4Confident102 Ų10292.9 Ų92.948%0.47746%0.456SS..Hα-helixtrans-68.6-35.3-179.5-73.8158.785.100112.2S2 N3 L7 R9S2-E5 VanDerWaalsContact CB-OE2 3.24Å; S2-E5 WeakPolarHBondContact CB-OE2 3.37Å; S2-E5 PolarHBondContact N-OE2 2.93Å; S2-E5 PolarHBondContact O-N 3.07Å; S2-E5 PolarHBondContact OG-OE2 2.93Å; N3-E5 VanDerWaalsContact C-N 3.34Å; N3-E5 PolarHBondContact O-N 3.17Å; E5-L7 VanDerWaalsContact C-N 3.35Å; E5-R9 WeakPolarHBondContact O-CG 3.35Å; E5-R9 PolarHBondContact O-N 3.07Å
6A75.5Confident75.4Confident55 Ų5594.4 Ų94.446%0.45546%0.462SS..Hα-helixtrans-65.5-42174.600000110.7N3 K4 R9 L10N3-A6 PolarHBondContact O-N 3.15Å; K4-A6 PolarHBondContact O-N 3Å; A6-R9 PolarHBondContact O-N 3.25Å; A6-L10 WeakPolarHBondContact O-CG 2.89Å; A6-L10 PolarHBondContact O-N 2.94Å
7L74.3Confident75.7Confident8 Ų894.1 Ų94.14%0.04247%0.471CS..Hα-helixtrans-62.9-48.6175.4-64.6-176.1000111.9N3 K4 E5 R9 L10 F11 F58 Y61 E62 V65 I67N3-L7 PolarHBondContact O-N 3.26Å; N3-L7 VanDerWaalsContact O-N 3.13Å; K4-L7 PolarHBondContact O-N 2.74Å; E5-L7 VanDerWaalsContact C-N 3.35Å; L7-R9 VanDerWaalsContact C-N 3.26Å; L7-R9 PolarHBondContact O-N 3.48Å; L7-L10 PolarHBondContact O-N 2.87Å; L7-L10 VanDerWaalsContact O-N 3.14Å; L7-F11 WeakPolarHBondContact O-CB 3.36Å; L7-F11 PolarHBondContact O-N 3.23Å; L7-F58 HydrophobicContact CB-CE2 4.38Å; L7-Y61 HydrophobicContact CB-CD1 3.96Å; L7-Y61 HydrophobicContact CB-CE1 3.74Å; L7-Y61 HydrophobicContact CD1-CD1 4.34Å; L7-Y61 HydrophobicContact CD2-CD1 3.78Å; L7-Y61 HydrophobicContact CD2-CE1 3.22Å; L7-Y61 HydrophobicContact CG-CD1 4.23Å; L7-Y61 HydrophobicContact CG-CE1 3.97Å; L7-E62 HydrophobicContact CD1-CB 4.34Å; L7-E62 HydrophobicContact CD1-CG 3.74Å; L7-V65 HydrophobicContact CD2-CB 3.9Å; L7-V65 HydrophobicContact CD2-CG1 3.79Å; L7-V65 HydrophobicContact CD2-CG2 3.73Å; L7-I67 HydrophobicContact CD1-CD1 3.36Å; L7-I67 HydrophobicContact CD1-CG1 4.17Å; L7-I67 HydrophobicContact CD2-CD1 4.45Å; L7-I67 HydrophobicContact CG-CD1 3.98Å
8I79.3Confident75.9Confident55 Ų5591.9 Ų91.928%0.28248%0.477SS..Hα-helixtrans-56.5-42.5177.7-70.4167.3000110.8K4 F11 H12 F58K4-I8 HydrophobicContact CD-CD1 4.47Å; K4-I8 HydrophobicContact CG-CD1 3.76Å; K4-I8 HydrophobicContact CG-CG1 4.38Å; K4-I8 VanDerWaalsContact O-CG1 3.24Å; K4-I8 WeakPolarHBondContact O-CG1 3.44Å; K4-I8 PolarHBondContact O-N 3.5Å; I8-F11 PolarHBondContact O-N 3.36Å; I8-H12 VanDerWaalsContact CG2-CD2 3.45Å; I8-H12 WeakPolarHBondContact CG2-CD2 3.5Å; I8-H12 WeakPolarHBondContact O-CB 3.34Å; I8-H12 PolarHBondContact O-CD2 3.19Å; I8-H12 PolarHBondContact O-N 3.39Å; I8-F58 HydrophobicContact CB-CE2 4.37Å; I8-F58 HydrophobicContact CD1-CZ 4.2Å; I8-F58 HydrophobicContact CG1-CE2 3.42Å; I8-F58 VanDerWaalsContact CG1-CE2 3.42Å; I8-F58 HydrophobicContact CG1-CZ 3.53Å
9R81.4Confident76.3Confident196 Ų19692.2 Ų92.274%0.7448%0.479SS*.Hα-helixtrans-66.3-41.3177.3-77.4-174.8-175.4-91.61.4113.2E5 A6 L7 F11 K13E5-R9 WeakPolarHBondContact O-CG 3.35Å; E5-R9 PolarHBondContact O-N 3.07Å; A6-R9 PolarHBondContact O-N 3.25Å; L7-R9 VanDerWaalsContact C-N 3.26Å; L7-R9 PolarHBondContact O-N 3.48Å; R9-F11 VanDerWaalsContact C-N 3.34Å; R9-K13 WeakPolarHBondContact O-CB 3.44Å; R9-K13 PolarHBondContact O-N 3.44Å
10L78Confident76.6Confident93 Ų9389.3 Ų89.349%0.48747%0.473SS..Hα-helixtrans-66.9-41.6176.4-72171.6000110.6A6 L7 K13 L14 Y61A6-L10 WeakPolarHBondContact O-CG 2.89Å; A6-L10 PolarHBondContact O-N 2.94Å; L7-L10 PolarHBondContact O-N 2.87Å; L7-L10 VanDerWaalsContact O-N 3.14Å; L10-K13 WeakPolarHBondContact O-CB 3.39Å; L10-K13 PolarHBondContact O-N 2.9Å; L10-L14 PolarHBondContact O-N 3.46Å; L10-Y61 HydrophobicContact CB-CE1 4.48Å; L10-Y61 WeakPolarHBondContact CD1-OH 3.31Å
11F80.3Confident77Confident5 Ų586.9 Ų86.92%0.02246%0.46CS..Hα-helixtrans-61.2-54.7178.5-168-84.5000111.5L7 I8 R9 K13 L14 D15 G20 I22 F58 Y61L7-F11 WeakPolarHBondContact O-CB 3.36Å; L7-F11 PolarHBondContact O-N 3.23Å; I8-F11 PolarHBondContact O-N 3.36Å; R9-F11 VanDerWaalsContact C-N 3.34Å; F11-K13 PolarHBondContact O-N 2.91Å; F11-K13 VanDerWaalsContact O-N 3.08Å; F11-L14 PolarHBondContact O-N 2.83Å; F11-D15 HydrophobicContact CD1-CB 4.13Å; F11-D15 HydrophobicContact CE1-CB 3.92Å; F11-D15 WeakPolarHBondContact O-CB 3.17Å; F11-D15 PolarHBondContact O-N 3.13Å; F11-G20 VanDerWaalsContact CE1-C 3.47Å; F11-G20 WeakPolarHBondContact CE1-O 3.47Å; F11-G20 VanDerWaalsContact CZ-C 3.46Å; F11-G20 WeakPolarHBondContact CZ-O 3.37Å; F11-I22 HydrophobicContact CD2-CD1 3.44Å; F11-I22 VanDerWaalsContact CD2-CD1 3.44Å; F11-I22 HydrophobicContact CD2-CG1 4.07Å; F11-I22 HydrophobicContact CE1-CG1 4.18Å; F11-I22 HydrophobicContact CE2-CD1 3.49Å; F11-I22 VanDerWaalsContact CE2-CD1 3.49Å; F11-I22 HydrophobicContact CE2-CG1 3.68Å; F11-I22 HydrophobicContact CG-CD1 3.99Å; F11-I22 HydrophobicContact CG-CG1 4.49Å; F11-I22 HydrophobicContact CZ-CD1 4.06Å; F11-I22 HydrophobicContact CZ-CG1 3.74Å; F11-F58 HydrophobicContact CB-CD2 4.45Å; F11-F58 HydrophobicContact CD2-CD2 4.22Å; F11-F58 HydrophobicContact CE2-CB 4.33Å; F11-F58 HydrophobicContact CG-CD2 4.15Å; F11-F58 HydrophobicContact CZ-CB 4.44Å; F11-Y61 HydrophobicContact CD2-CD1 4.44Å; F11-Y61 HydrophobicContact CD2-CG 4.35Å
12H82.1Confident78.9Confident123 Ų12376.1 Ų76.157%0.56941%0.407SS*.Hα-helixtrans-61.3-19.2175.7-82.3-61.6000114.5I8 L14I8-H12 VanDerWaalsContact CG2-CD2 3.45Å; I8-H12 WeakPolarHBondContact CG2-CD2 3.5Å; I8-H12 WeakPolarHBondContact O-CB 3.34Å; I8-H12 PolarHBondContact O-CD2 3.19Å; I8-H12 PolarHBondContact O-N 3.39Å; H12-L14 VanDerWaalsContact C-N 3.34Å
13K80.4Confident79.7Confident175 Ų17574.3 Ų74.376%0.76139%0.394SS*.Hα-helixtrans-80.8-21.1176.1-169.6150.9-177177.80112.4R9 L10 F11R9-K13 WeakPolarHBondContact O-CB 3.44Å; R9-K13 PolarHBondContact O-N 3.44Å; L10-K13 WeakPolarHBondContact O-CB 3.39Å; L10-K13 PolarHBondContact O-N 2.9Å; F11-K13 PolarHBondContact O-N 2.91Å; F11-K13 VanDerWaalsContact O-N 3.08Å
14L77.3Confident80.3Confident42 Ų4270.8 Ų70.822%0.2238%0.378CS..Hα-helixtrans-99.5-36.4177.9-65.2173000111.7L10 F11 H12 E16 I22 L27L10-L14 PolarHBondContact O-N 3.46Å; F11-L14 PolarHBondContact O-N 2.83Å; H12-L14 VanDerWaalsContact C-N 3.34Å; L14-E16 PolarHBondContact O-N 3.29Å; L14-I22 HydrophobicContact CB-CD1 3.65Å; L14-I22 HydrophobicContact CB-CG1 4.08Å; L14-I22 HydrophobicContact CB-CG2 4.33Å; L14-I22 HydrophobicContact CD1-CD1 4.03Å; L14-I22 HydrophobicContact CG-CD1 4.49Å; L14-L27 HydrophobicContact CD1-CD1 4.17Å; L14-L27 HydrophobicContact CD2-CD1 4.26Å
15D83.7Confident80.9Confident6 Ų671.2 Ų71.23%0.03239%0.386CS..  trans-73.683.1172.4178.812.2000109.8F11 S17 G18 D19 G20 I22F11-D15 HydrophobicContact CD1-CB 4.13Å; F11-D15 HydrophobicContact CE1-CB 3.92Å; F11-D15 WeakPolarHBondContact O-CB 3.17Å; F11-D15 PolarHBondContact O-N 3.13Å; D15-S17 VanDerWaalsContact C-N 3.3Å; D15-S17 PolarHBondContact OD1-N 3.49Å; D15-G18 VanDerWaalsContact OD1-CA 3.29Å; D15-G18 WeakPolarHBondContact OD1-CA 3.39Å; D15-G18 PolarHBondContact OD1-N 3.2Å; D15-G18 WeakPolarHBondContact OD2-CA 3.4Å; D15-D19 PolarHBondContact OD1-N 2.74Å; D15-D19 PolarHBondContact OD2-N 3.29Å; D15-G20 WeakPolarHBondContact OD2-CA 3.24Å; D15-G20 PolarHBondContact OD2-N 2.94Å; D15-I22 HydrophobicContact CB-CG1 4.07Å
16E75.8Confident81.2Confident117 Ų11766.8 Ų66.855%0.54737%0.365SS..SBendtrans-70.3-28.2174.2-91-169.8102.700111.6L14 G18 E26 S29 K33L14-E16 PolarHBondContact O-N 3.29Å; E16-G18 VanDerWaalsContact C-N 3.34Å; E16-E26 PolarHBondContact N-OE1 2.97Å; E16-S29 PolarHBondContact OE2-OG 3.04Å; E16-K33 IonicContact OE1-NZ 2.81Å; E16-K33 PolarHBondContact OE1-NZ 3.25Å; E16-K33 IonicContact OE2-NZ 2.72Å; E16-K33 PolarHBondContact OE2-NZ 3.2Å
17S79.8Confident81.5Confident89 Ų8964.5 Ų64.562%0.62235%0.345SS*.SBendtrans-75.9-26.5-178.7-510000112.2D15 D19 E26D15-S17 VanDerWaalsContact C-N 3.3Å; D15-S17 PolarHBondContact OD1-N 3.49Å; S17-D19 VanDerWaalsContact C-N 3.35Å; S17-E26 WeakPolarHBondContact CB-OE1 3.33Å; S17-E26 PolarHBondContact N-OE1 2.93Å; S17-E26 VanDerWaalsContact OG-CD 3.23Å; S17-E26 PolarHBondContact OG-OE1 3.13Å
18G78.8Confident82Confident55 Ų5568.8 Ų68.857%0.56736%0.361SS*.  trans72.425.3-179.500000113.5D15 E16D15-G18 VanDerWaalsContact OD1-CA 3.29Å; D15-G18 WeakPolarHBondContact OD1-CA 3.39Å; D15-G18 PolarHBondContact OD1-N 3.2Å; D15-G18 WeakPolarHBondContact OD2-CA 3.4Å; E16-G18 VanDerWaalsContact C-N 3.34Å
19D84Confident82.3Confident98 Ų9867.9 Ų67.952%0.52436%0.36SS..SBendtrans-91.6-8-177.999-64.3000113D15 S17 I21D15-D19 PolarHBondContact OD1-N 2.74Å; D15-D19 PolarHBondContact OD2-N 3.29Å; S17-D19 VanDerWaalsContact C-N 3.35Å; D19-I21 WeakPolarHBondContact OD1-CG1 3.47Å; D19-I21 PolarHBondContact OD1-N 3.38Å; D19-I21 WeakPolarHBondContact OD2-CD1 3.42Å; D19-I21 WeakPolarHBondContact OD2-CG1 3.46Å
20G82.3Confident82.3Confident34 Ų3459.7 Ų59.735%0.35134%0.336SS..SBendtrans90.3817700000114.3F11 D15F11-G20 VanDerWaalsContact CE1-C 3.47Å; F11-G20 WeakPolarHBondContact CE1-O 3.47Å; F11-G20 VanDerWaalsContact CZ-C 3.46Å; F11-G20 WeakPolarHBondContact CZ-O 3.37Å; D15-G20 WeakPolarHBondContact OD2-CA 3.24Å; D15-G20 PolarHBondContact OD2-N 2.94Å
21I85.5Confident82.5Confident39 Ų3956.8 Ų56.820%0.232%0.321CS..EExtended strand (participates in β ladder)trans-124.7150.2167.257.4169.7000108.2D19 K55 T57D19-I21 WeakPolarHBondContact OD1-CG1 3.47Å; D19-I21 PolarHBondContact OD1-N 3.38Å; D19-I21 WeakPolarHBondContact OD2-CD1 3.42Å; D19-I21 WeakPolarHBondContact OD2-CG1 3.46Å; I21-K55 HydrophobicContact CD1-CD 3.74Å; I21-K55 HydrophobicContact CD1-CG 4.41Å; I21-T57 HydrophobicContact CG2-CG2 3.69Å
22I86.2Confident82.7Confident4 Ų459.1 Ų59.12%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-105.1104.4171.2-63.3161.7000107F11 L14 D15 E26 L27 K55 V56F11-I22 HydrophobicContact CD2-CD1 3.44Å; F11-I22 VanDerWaalsContact CD2-CD1 3.44Å; F11-I22 HydrophobicContact CD2-CG1 4.07Å; F11-I22 HydrophobicContact CE1-CG1 4.18Å; F11-I22 HydrophobicContact CE2-CD1 3.49Å; F11-I22 VanDerWaalsContact CE2-CD1 3.49Å; F11-I22 HydrophobicContact CE2-CG1 3.68Å; F11-I22 HydrophobicContact CG-CD1 3.99Å; F11-I22 HydrophobicContact CG-CG1 4.49Å; F11-I22 HydrophobicContact CZ-CD1 4.06Å; F11-I22 HydrophobicContact CZ-CG1 3.74Å; L14-I22 HydrophobicContact CB-CD1 3.65Å; L14-I22 HydrophobicContact CB-CG1 4.08Å; L14-I22 HydrophobicContact CB-CG2 4.33Å; L14-I22 HydrophobicContact CD1-CD1 4.03Å; L14-I22 HydrophobicContact CG-CD1 4.49Å; D15-I22 HydrophobicContact CB-CG1 4.07Å; I22-E26 HydrophobicContact CG2-CB 4.48Å; I22-L27 HydrophobicContact CG2-CB 3.92Å; I22-L27 HydrophobicContact CG2-CD1 4.27Å; I22-K55 CarbonylContact O-C 3.59Å; I22-K55 WeakPolarHBondContact O-CA 3.49Å; I22-V56 HydrophobicContact CB-CB 4.33Å; I22-V56 PolarHBondContact N-O 2.72Å; I22-V56 PolarHBondContact O-N 2.81Å
23S85.9Confident82.6Confident35 Ų3559.9 Ų59.925%0.24534%0.34CS..EExtended strand (participates in β ladder)trans-74.1158177.6-59.10000111.7D25 E26 L27S23-D25 PolarHBondContact O-N 3.23Å; S23-D25 VanDerWaalsContact O-N 3.12Å; S23-E26 PolarHBondContact N-OE2 3.04Å; S23-E26 PolarHBondContact O-N 3.36Å; S23-L27 PolarHBondContact O-N 3.19Å
24C83.1Confident82.7Confident41 Ų4155.1 Ų55.128%0.27733%0.333SS..Hα-helixtrans-42.1-45.1165.9-96.50000112.4Y28 M45 G54C24-Y28 WeakPolarHBondContact O-CB 3.05Å; C24-Y28 PolarHBondContact O-N 2.83Å; C24-M45 VanDerWaalsContact CA-CE 3.42Å; C24-M45 HydrophobicContact CB-CE 4.34Å; C24-M45 HydrophobicContact CB-SD 4.1Å; C24-M45 VanDerWaalsContact SG-CG 3.6Å; C24-M45 PolarHBondContact SG-SD 3.12Å; C24-G54 PolarHBondContact N-O 2.74Å; C24-G54 PolarHBondContact SG-O 3.45Å
25D85.4Confident83.1Confident123 Ų12356.3 Ų56.366%0.65836%0.356SS*.Hα-helixtrans-67-38.5-177.5-160.1-101.8000112.8S23 Y28 S29S23-D25 PolarHBondContact O-N 3.23Å; S23-D25 VanDerWaalsContact O-N 3.12Å; D25-Y28 CarbonylContact O-C 3.54Å; D25-Y28 PolarHBondContact O-N 2.85Å; D25-S29 WeakPolarHBondContact O-CB 3.14Å; D25-S29 PolarHBondContact O-N 3.39Å
26E85.2Confident83.2Confident10 Ų1058.1 Ų58.15%0.04737%0.367CS..Hα-helixtrans-74.8-44179.5-64.3178.3100.800111.8E16 S17 I22 S23 Y28 S29 G30E16-E26 PolarHBondContact N-OE1 2.97Å; S17-E26 WeakPolarHBondContact CB-OE1 3.33Å; S17-E26 PolarHBondContact N-OE1 2.93Å; S17-E26 VanDerWaalsContact OG-CD 3.23Å; S17-E26 PolarHBondContact OG-OE1 3.13Å; I22-E26 HydrophobicContact CG2-CB 4.48Å; S23-E26 PolarHBondContact N-OE2 3.04Å; S23-E26 PolarHBondContact O-N 3.36Å; E26-Y28 PolarHBondContact O-N 2.73Å; E26-S29 PolarHBondContact O-N 3.04Å; E26-G30 PolarHBondContact O-N 2.78Å
27L82.5Confident83.8Confident6 Ų655.7 Ų55.73%0.03136%0.363CS..Hα-helixtrans-59.5-40.8171.6-168.374.8000109.8L14 I22 S23 L31 I41 L44 M45L14-L27 HydrophobicContact CD1-CD1 4.17Å; L14-L27 HydrophobicContact CD2-CD1 4.26Å; I22-L27 HydrophobicContact CG2-CB 3.92Å; I22-L27 HydrophobicContact CG2-CD1 4.27Å; S23-L27 PolarHBondContact O-N 3.19Å; L27-L31 HydrophobicContact CD1-CD1 3.92Å; L27-L31 HydrophobicContact CD1-CG 4.28Å; L27-L31 HydrophobicContact CD2-CD1 4.17Å; L27-L31 HydrophobicContact CG-CD1 3.78Å; L27-L31 HydrophobicContact CG-CG 4.3Å; L27-L31 VanDerWaalsContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 2.9Å; L27-I41 HydrophobicContact CB-CG2 4.42Å; L27-I41 HydrophobicContact CD2-CG2 3.86Å; L27-I41 HydrophobicContact CG-CG2 4Å; L27-L44 HydrophobicContact CD2-CB 4.48Å; L27-M45 HydrophobicContact CB-CE 3.5Å; L27-M45 VanDerWaalsContact CB-CE 3.5Å; L27-M45 HydrophobicContact CD2-CB 4.1Å; L27-M45 HydrophobicContact CD2-CE 3.36Å; L27-M45 HydrophobicContact CG-CE 4.01Å
28Y85.5Confident84.1Confident99 Ų9954.7 Ų54.739%0.38835%0.354SS..Hα-helixtrans-63.8-48.5176.4-173.1-102.1000112.2C24 D25 E26 G30 S32 P38 I41C24-Y28 WeakPolarHBondContact O-CB 3.05Å; C24-Y28 PolarHBondContact O-N 2.83Å; D25-Y28 CarbonylContact O-C 3.54Å; D25-Y28 PolarHBondContact O-N 2.85Å; E26-Y28 PolarHBondContact O-N 2.73Å; Y28-G30 PolarHBondContact O-N 2.61Å; Y28-S32 WeakPolarHBondContact O-CA 3.4Å; Y28-S32 WeakPolarHBondContact O-CB 3.49Å; Y28-S32 PolarHBondContact O-N 2.88Å; Y28-P38 HydrophobicContact CD2-CB 4.32Å; Y28-P38 HydrophobicContact CE2-CB 3.48Å; Y28-P38 VanDerWaalsContact CE2-CB 3.48Å; Y28-P38 HydrophobicContact CE2-CG 4.08Å; Y28-I41 HydrophobicContact CD2-CB 4.43Å; Y28-I41 HydrophobicContact CD2-CD1 3.57Å; Y28-I41 HydrophobicContact CD2-CG2 4.23Å; Y28-I41 HydrophobicContact CE2-CD1 3.94Å; Y28-I41 HydrophobicContact CG-CD1 4.44Å
29S85Confident84.5Confident36 Ų3656.6 Ų56.625%0.25236%0.355SS..Hα-helixtrans-57.2-51.5175.3172.50000111E16 D25 E26 K33E16-S29 PolarHBondContact OE2-OG 3.04Å; D25-S29 WeakPolarHBondContact O-CB 3.14Å; D25-S29 PolarHBondContact O-N 3.39Å; E26-S29 PolarHBondContact O-N 3.04Å; S29-K33 WeakPolarHBondContact O-CB 3.3Å; S29-K33 WeakPolarHBondContact O-CD 3.38Å; S29-K33 WeakPolarHBondContact O-CG 3.44Å; S29-K33 PolarHBondContact O-N 3.34Å; S29-K33 WeakPolarHBondContact OG-CE 3.05Å; S29-K33 PolarHBondContact OG-NZ 3.01Å
30G82.3Confident84.6Confident23 Ų2356.1 Ų56.124%0.23735%0.351CS..Hα-helixtrans-63-47.2-177.900000113.1E26 Y28 A34E26-G30 PolarHBondContact O-N 2.78Å; Y28-G30 PolarHBondContact O-N 2.61Å; G30-A34 PolarHBondContact O-N 2.79Å
31L81.4Confident84.7Confident32 Ų3254.7 Ų54.717%0.16834%0.336CS..Hα-helixtrans-79.6-31.5-178.7-67.4-177.1000112.8L27 K33 A34 G35 V36 I41 L44L27-L31 HydrophobicContact CD1-CD1 3.92Å; L27-L31 HydrophobicContact CD1-CG 4.28Å; L27-L31 HydrophobicContact CD2-CD1 4.17Å; L27-L31 HydrophobicContact CG-CD1 3.78Å; L27-L31 HydrophobicContact CG-CG 4.3Å; L27-L31 VanDerWaalsContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 2.9Å; L31-K33 VanDerWaalsContact C-N 3.33Å; L31-A34 CarbonylContact O-C 3.59Å; L31-A34 WeakPolarHBondContact O-CA 3.39Å; L31-A34 WeakPolarHBondContact O-CB 3.32Å; L31-A34 PolarHBondContact O-N 3.29Å; L31-G35 PolarHBondContact O-N 2.71Å; L31-G35 VanDerWaalsContact O-N 3.15Å; L31-V36 HydrophobicContact CB-CB 4.02Å; L31-V36 HydrophobicContact CB-CG2 4.24Å; L31-V36 HydrophobicContact CD2-CG2 4.36Å; L31-V36 WeakPolarHBondContact O-CB 3.39Å; L31-V36 PolarHBondContact O-N 3.27Å; L31-I41 HydrophobicContact CB-CD1 3.53Å; L31-I41 HydrophobicContact CB-CG1 3.58Å; L31-I41 HydrophobicContact CD1-CB 4.31Å; L31-I41 HydrophobicContact CD1-CG1 3.81Å; L31-I41 HydrophobicContact CD1-CG2 4.18Å; L31-I41 HydrophobicContact CG-CG1 4.35Å; L31-L44 HydrophobicContact CD1-CD1 3.79Å
32S84.2Confident84.7Confident55 Ų5558 Ų5839%0.38535%0.35SS..Hα-helixtrans-64.9-39.4171.4-175.90000110.6Y28 A34 G35Y28-S32 WeakPolarHBondContact O-CA 3.4Å; Y28-S32 WeakPolarHBondContact O-CB 3.49Å; Y28-S32 PolarHBondContact O-N 2.88Å; S32-A34 PolarHBondContact O-N 2.85Å; S32-G35 PolarHBondContact O-N 2.95Å
33K81.3Confident84.7Confident138 Ų13864.9 Ų64.960%0.638%0.38SS*.Hα-helixtrans-60.5-31.6170.3-75.8169.4-175.4172.70111.8E16 S29 L31 G35E16-K33 IonicContact OE1-NZ 2.81Å; E16-K33 PolarHBondContact OE1-NZ 3.25Å; E16-K33 IonicContact OE2-NZ 2.72Å; E16-K33 PolarHBondContact OE2-NZ 3.2Å; S29-K33 WeakPolarHBondContact O-CB 3.3Å; S29-K33 WeakPolarHBondContact O-CD 3.38Å; S29-K33 WeakPolarHBondContact O-CG 3.44Å; S29-K33 PolarHBondContact O-N 3.34Å; S29-K33 WeakPolarHBondContact OG-CE 3.05Å; S29-K33 PolarHBondContact OG-NZ 3.01Å; L31-K33 VanDerWaalsContact C-N 3.33Å; K33-G35 VanDerWaalsContact C-N 3.27Å; K33-G35 PolarHBondContact O-N 3.08Å
34A82.4Confident84.5Confident75 Ų7567 Ų6762%0.6239%0.388SS*.THydrogen-bonded Turntrans-79.7-2.317400000114.1G30 L31 S32 V36G30-A34 PolarHBondContact O-N 2.79Å; L31-A34 CarbonylContact O-C 3.59Å; L31-A34 WeakPolarHBondContact O-CA 3.39Å; L31-A34 WeakPolarHBondContact O-CB 3.32Å; L31-A34 PolarHBondContact O-N 3.29Å; S32-A34 PolarHBondContact O-N 2.85Å; A34-V36 HydrophobicContact CB-CG2 4.35Å
35G85.7Confident84.5Confident68 Ų6865 Ų6570%0.70138%0.375SS*.THydrogen-bonded Turntrans82.416.1-179.600000114.7L31 S32 K33L31-G35 PolarHBondContact O-N 2.71Å; L31-G35 VanDerWaalsContact O-N 3.15Å; S32-G35 PolarHBondContact O-N 2.95Å; K33-G35 VanDerWaalsContact C-N 3.27Å; K33-G35 PolarHBondContact O-N 3.08Å
36V85.1Confident84.5Confident43 Ų4365.3 Ų65.326%0.26138%0.377SS..  trans-82.8138.4176.7-174.50000109.8L31 A34 I40 I41L31-V36 HydrophobicContact CB-CB 4.02Å; L31-V36 HydrophobicContact CB-CG2 4.24Å; L31-V36 HydrophobicContact CD2-CG2 4.36Å; L31-V36 WeakPolarHBondContact O-CB 3.39Å; L31-V36 PolarHBondContact O-N 3.27Å; A34-V36 HydrophobicContact CB-CG2 4.35Å; V36-I40 HydrophobicContact CG1-CB 3.74Å; V36-I40 HydrophobicContact CG1-CD1 4.36Å; V36-I40 HydrophobicContact CG1-CG2 3.72Å; V36-I41 HydrophobicContact CB-CD1 4.35Å; V36-I41 HydrophobicContact CB-CG1 4.2Å; V36-I41 HydrophobicContact CG1-CD1 4.46Å; V36-I41 HydrophobicContact CG1-CG1 3.83Å
37S89.1Confident84.4Confident66 Ų6674.2 Ų74.246%0.46241%0.41SS..  trans-71.9145.2179.9-46.50000112.6T39 I40 I41S37-T39 PolarHBondContact O-N 3.04Å; S37-T39 VanDerWaalsContact O-N 3.07Å; S37-I40 PolarHBondContact O-N 3.44Å; S37-I41 WeakPolarHBondContact O-CG1 3.35Å; S37-I41 PolarHBondContact O-N 2.77Å; S37-I41 VanDerWaalsContact O-N 3.17Å
38P85Confident84.3Confident68 Ų6875.8 Ų75.844%0.44242%0.418SS..Hα-helixtrans-46.3-42176.82.7-17.6000114.5Y28 I40 I41 Q42Y28-P38 HydrophobicContact CD2-CB 4.32Å; Y28-P38 HydrophobicContact CE2-CB 3.48Å; Y28-P38 VanDerWaalsContact CE2-CB 3.48Å; Y28-P38 HydrophobicContact CE2-CG 4.08Å; P38-I40 VanDerWaalsContact C-N 3.29Å; P38-I40 PolarHBondContact O-N 3.14Å; P38-I41 WeakPolarHBondContact O-CB 3.31Å; P38-I41 PolarHBondContact O-N 2.99Å; P38-Q42 PolarHBondContact O-N 2.78Å
39T87.7Confident84.4Confident95 Ų9571.9 Ų71.958%0.58340%0.404SS*.Hα-helixtrans-65-33.7-177.7-41.90000112.5S37 K43S37-T39 PolarHBondContact O-N 3.04Å; S37-T39 VanDerWaalsContact O-N 3.07Å; T39-K43 WeakPolarHBondContact O-CG 3.46Å; T39-K43 PolarHBondContact O-N 2.9Å
40I86.3Confident84.3Confident88 Ų8874.7 Ų74.745%0.45142%0.416SS..Hα-helixtrans-74.7-41176.8-60.4172.5000109.4V36 S37 P38 Q42 K43 L44V36-I40 HydrophobicContact CG1-CB 3.74Å; V36-I40 HydrophobicContact CG1-CD1 4.36Å; V36-I40 HydrophobicContact CG1-CG2 3.72Å; S37-I40 PolarHBondContact O-N 3.44Å; P38-I40 VanDerWaalsContact C-N 3.29Å; P38-I40 PolarHBondContact O-N 3.14Å; I40-Q42 VanDerWaalsContact C-N 3.33Å; I40-Q42 PolarHBondContact O-N 3.02Å; I40-K43 PolarHBondContact O-N 3.16Å; I40-L44 HydrophobicContact CG2-CD1 4.21Å; I40-L44 WeakPolarHBondContact O-CG 3.29Å; I40-L44 PolarHBondContact O-N 3.23Å
41I84.4Confident84.4Confident5 Ų577.9 Ų77.93%0.02643%0.427CS..Hα-helixtrans-58.8-47176.5-60.4171.7000110.2L27 Y28 L31 V36 S37 P38 K43 L44 M45L27-I41 HydrophobicContact CB-CG2 4.42Å; L27-I41 HydrophobicContact CD2-CG2 3.86Å; L27-I41 HydrophobicContact CG-CG2 4Å; Y28-I41 HydrophobicContact CD2-CB 4.43Å; Y28-I41 HydrophobicContact CD2-CD1 3.57Å; Y28-I41 HydrophobicContact CD2-CG2 4.23Å; Y28-I41 HydrophobicContact CE2-CD1 3.94Å; Y28-I41 HydrophobicContact CG-CD1 4.44Å; L31-I41 HydrophobicContact CB-CD1 3.53Å; L31-I41 HydrophobicContact CB-CG1 3.58Å; L31-I41 HydrophobicContact CD1-CB 4.31Å; L31-I41 HydrophobicContact CD1-CG1 3.81Å; L31-I41 HydrophobicContact CD1-CG2 4.18Å; L31-I41 HydrophobicContact CG-CG1 4.35Å; V36-I41 HydrophobicContact CB-CD1 4.35Å; V36-I41 HydrophobicContact CB-CG1 4.2Å; V36-I41 HydrophobicContact CG1-CD1 4.46Å; V36-I41 HydrophobicContact CG1-CG1 3.83Å; S37-I41 WeakPolarHBondContact O-CG1 3.35Å; S37-I41 PolarHBondContact O-N 2.77Å; S37-I41 VanDerWaalsContact O-N 3.17Å; P38-I41 WeakPolarHBondContact O-CB 3.31Å; P38-I41 PolarHBondContact O-N 2.99Å; I41-K43 VanDerWaalsContact C-N 3.31Å; I41-K43 PolarHBondContact O-N 3.11Å; I41-L44 WeakPolarHBondContact O-CB 2.97Å; I41-L44 PolarHBondContact O-N 3.27Å; I41-L44 VanDerWaalsContact O-N 3.13Å; I41-M45 WeakPolarHBondContact O-CB 3.38Å; I41-M45 PolarHBondContact O-N 3.5Å
42Q85.1Confident84.4Confident107 Ų10779.3 Ų79.350%0.545%0.45SS..Hα-helixtrans-62.2-37.9177.5-170.363.262.300112.4P38 I40 L44 M45 D46P38-Q42 PolarHBondContact O-N 2.78Å; I40-Q42 VanDerWaalsContact C-N 3.33Å; I40-Q42 PolarHBondContact O-N 3.02Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-M45 WeakPolarHBondContact O-CB 3.12Å; Q42-M45 PolarHBondContact O-N 3.29Å; Q42-D46 WeakPolarHBondContact O-CB 2.93Å; Q42-D46 PolarHBondContact O-N 3.39Å
43K85.6Confident84.5Confident149 Ų14980.1 Ų80.165%0.64845%0.449SS*.Hα-helixtrans-67.5-34.3174.8-74.8177.3177.5-174.80112.6T39 I40 I41 R47T39-K43 WeakPolarHBondContact O-CG 3.46Å; T39-K43 PolarHBondContact O-N 2.9Å; I40-K43 PolarHBondContact O-N 3.16Å; I41-K43 VanDerWaalsContact C-N 3.31Å; I41-K43 PolarHBondContact O-N 3.11Å; K43-R47 PolarHBondContact O-N 3.45Å
44L82.5Confident84.7Confident79 Ų7974.8 Ų74.841%0.41443%0.434SS..Hα-helixtrans-70.4-43.2174.4-72.6169.4000111L27 L31 I40 I41 Q42 R47 L48L27-L44 HydrophobicContact CD2-CB 4.48Å; L31-L44 HydrophobicContact CD1-CD1 3.79Å; I40-L44 HydrophobicContact CG2-CD1 4.21Å; I40-L44 WeakPolarHBondContact O-CG 3.29Å; I40-L44 PolarHBondContact O-N 3.23Å; I41-L44 WeakPolarHBondContact O-CB 2.97Å; I41-L44 PolarHBondContact O-N 3.27Å; I41-L44 VanDerWaalsContact O-N 3.13Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; L44-R47 PolarHBondContact O-N 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.45Å; L44-L48 PolarHBondContact O-N 3.48Å; L44-L48 VanDerWaalsContact O-N 3.13Å
45M83.9Confident84.8Confident1 Ų174.6 Ų74.61%0.00542%0.419CS..Hα-helixtrans-54.6-54.917217791.110.100109.9C24 L27 I41 Q42 R47 L48 D49 V56C24-M45 VanDerWaalsContact CA-CE 3.42Å; C24-M45 HydrophobicContact CB-CE 4.34Å; C24-M45 HydrophobicContact CB-SD 4.1Å; C24-M45 VanDerWaalsContact SG-CG 3.6Å; C24-M45 PolarHBondContact SG-SD 3.12Å; L27-M45 HydrophobicContact CB-CE 3.5Å; L27-M45 VanDerWaalsContact CB-CE 3.5Å; L27-M45 HydrophobicContact CD2-CB 4.1Å; L27-M45 HydrophobicContact CD2-CE 3.36Å; L27-M45 HydrophobicContact CG-CE 4.01Å; I41-M45 WeakPolarHBondContact O-CB 3.38Å; I41-M45 PolarHBondContact O-N 3.5Å; Q42-M45 WeakPolarHBondContact O-CB 3.12Å; Q42-M45 PolarHBondContact O-N 3.29Å; M45-R47 PolarHBondContact O-N 2.71Å; M45-L48 CarbonylContact O-C 3.43Å; M45-L48 PolarHBondContact O-N 2.67Å; M45-D49 HydrophobicContact CG-CB 4.38Å; M45-D49 WeakPolarHBondContact O-CB 3.45Å; M45-D49 PolarHBondContact O-N 3.44Å; M45-V56 HydrophobicContact CE-CG2 4.43Å; M45-V56 HydrophobicContact SD-CG2 4.34Å
46D84.6Confident84.9Confident129 Ų12971.5 Ų71.569%0.6939%0.386SS*.Hα-helixtrans-56.4-26.7179.2-172.7-102000113.8Q42Q42-D46 WeakPolarHBondContact O-CB 2.93Å; Q42-D46 PolarHBondContact O-N 3.39Å
47R82.4Confident85Confident197 Ų19771.1 Ų71.174%0.74338%0.384SS*.Hα-helixtrans-82.2-28.7176.7-173.354.8178.7173.64.4113.5K43 L44 M45K43-R47 PolarHBondContact O-N 3.45Å; L44-R47 PolarHBondContact O-N 3.29Å; M45-R47 PolarHBondContact O-N 2.71Å
48L82.1Confident84.6Confident38 Ų3870.3 Ų70.320%0.19937%0.373CS..Hα-helixtrans-95.7-33.4-177.3-67.8171.4000112.2L44 M45 L50 V56 Y61 A64L44-L48 WeakPolarHBondContact O-CG 3.45Å; L44-L48 PolarHBondContact O-N 3.48Å; L44-L48 VanDerWaalsContact O-N 3.13Å; M45-L48 CarbonylContact O-C 3.43Å; M45-L48 PolarHBondContact O-N 2.67Å; L48-L50 PolarHBondContact O-N 3.33Å; L48-V56 HydrophobicContact CB-CG1 4.03Å; L48-V56 HydrophobicContact CB-CG2 3.66Å; L48-Y61 HydrophobicContact CD2-CD2 4.09Å; L48-Y61 HydrophobicContact CD2-CE2 4.2Å; L48-A64 HydrophobicContact CD2-CB 4.09Å
49D86.9Confident84.5Confident17 Ų1770.7 Ų70.79%0.09138%0.376CS..  trans-79.791.1176.8-178.77000108.8M45 N51 G52 D53 G54 V56M45-D49 HydrophobicContact CG-CB 4.38Å; M45-D49 WeakPolarHBondContact O-CB 3.45Å; M45-D49 PolarHBondContact O-N 3.44Å; D49-N51 PolarHBondContact OD1-OD1 2.84Å; D49-G52 WeakPolarHBondContact OD1-CA 3.21Å; D49-G52 PolarHBondContact OD1-N 2.9Å; D49-G52 WeakPolarHBondContact OD2-CA 3.42Å; D49-D53 PolarHBondContact OD1-N 3.3Å; D49-D53 PolarHBondContact OD2-N 3.38Å; D49-G54 VanDerWaalsContact OD2-CA 3.3Å; D49-G54 WeakPolarHBondContact OD2-CA 3.45Å; D49-G54 PolarHBondContact OD2-N 2.89Å; D49-V56 HydrophobicContact CB-CG2 4.26Å
50L82.6Confident84.3Confident96 Ų9666.8 Ų66.850%0.50335%0.352SS..SBendtrans-79.6-27.5-176.7-62.2176.5000111.4L48 E60 T63 A64L48-L50 PolarHBondContact O-N 3.33Å; L50-E60 PolarHBondContact N-OE1 2.95Å; L50-T63 HydrophobicContact CD1-CG2 3.35Å; L50-A64 HydrophobicContact CD1-CB 4.43Å
51N84.4Confident84Confident90 Ų9063.8 Ų63.848%0.48134%0.335SS..SBendtrans-88.1-17.7-178.975.128.8000112.7D49 D53 E60D49-N51 PolarHBondContact OD1-OD1 2.84Å; N51-D53 PolarHBondContact ND2-OD1 3.49Å; N51-D53 WeakPolarHBondContact OD1-CA 3.33Å; N51-D53 WeakPolarHBondContact OD1-CB 3.41Å; N51-D53 PolarHBondContact OD1-N 3.02Å; N51-D53 PolarHBondContact OD1-OD1 3.21Å; N51-E60 WeakPolarHBondContact CB-OE1 2.88Å; N51-E60 PolarHBondContact N-OE1 3.2Å; N51-E60 PolarHBondContact ND2-OE1 2.86Å; N51-E60 PolarHBondContact ND2-OE2 2.75Å; N51-E60 PolarHBondContact OD1-OE1 2.98Å
52G82Confident83.8Confident62 Ų6266 Ų6664%0.63935%0.345SS*.  trans74.424.9179.200000114.4D49D49-G52 WeakPolarHBondContact OD1-CA 3.21Å; D49-G52 PolarHBondContact OD1-N 2.9Å; D49-G52 WeakPolarHBondContact OD2-CA 3.42Å
53D86.5Confident83.7Confident71 Ų7163.3 Ų63.338%0.3834%0.336SS..SBendtrans-89.9-4.5-177.798.5-108.8000113.4D49 N51 K55D49-D53 PolarHBondContact OD1-N 3.3Å; D49-D53 PolarHBondContact OD2-N 3.38Å; N51-D53 PolarHBondContact ND2-OD1 3.49Å; N51-D53 WeakPolarHBondContact OD1-CA 3.33Å; N51-D53 WeakPolarHBondContact OD1-CB 3.41Å; N51-D53 PolarHBondContact OD1-N 3.02Å; N51-D53 PolarHBondContact OD1-OD1 3.21Å; D53-K55 WeakPolarHBondContact OD1-CE 3.4Å; D53-K55 WeakPolarHBondContact OD1-CG 3.09Å; D53-K55 IonicContact OD1-NZ 3.71Å; D53-K55 WeakPolarHBondContact OD2-CD 3.19Å; D53-K55 WeakPolarHBondContact OD2-CE 3.15Å; D53-K55 WeakPolarHBondContact OD2-CG 3.43Å; D53-K55 IonicContact OD2-NZ 2.67Å; D53-K55 PolarHBondContact OD2-NZ 3.38Å
54G83.9Confident83.2Confident26 Ų2658 Ų5827%0.26832%0.321SS..SBendtrans84.615.1178.400000113.7C24 D49C24-G54 PolarHBondContact N-O 2.74Å; C24-G54 PolarHBondContact SG-O 3.45Å; D49-G54 VanDerWaalsContact OD2-CA 3.3Å; D49-G54 WeakPolarHBondContact OD2-CA 3.45Å; D49-G54 PolarHBondContact OD2-N 2.89Å
55K86Confident82.8Confident72 Ų7257.8 Ų57.831%0.31332%0.322SS..EExtended strand (participates in β ladder)trans-141.9148.7171.877.3-154.8179.7-137.30109.6I21 I22 D53I21-K55 HydrophobicContact CD1-CD 3.74Å; I21-K55 HydrophobicContact CD1-CG 4.41Å; I22-K55 CarbonylContact O-C 3.59Å; I22-K55 WeakPolarHBondContact O-CA 3.49Å; D53-K55 WeakPolarHBondContact OD1-CE 3.4Å; D53-K55 WeakPolarHBondContact OD1-CG 3.09Å; D53-K55 IonicContact OD1-NZ 3.71Å; D53-K55 WeakPolarHBondContact OD2-CD 3.19Å; D53-K55 WeakPolarHBondContact OD2-CE 3.15Å; D53-K55 WeakPolarHBondContact OD2-CG 3.43Å; D53-K55 IonicContact OD2-NZ 2.67Å; D53-K55 PolarHBondContact OD2-NZ 3.38Å
56V86.8Confident82Confident2 Ų260.5 Ų60.51%0.01235%0.35CS..EExtended strand (participates in β ladder)trans-105.6107.9178.9-177.30000107.8I22 M45 L48 D49 E60 Y61I22-V56 HydrophobicContact CB-CB 4.33Å; I22-V56 PolarHBondContact N-O 2.72Å; I22-V56 PolarHBondContact O-N 2.81Å; M45-V56 HydrophobicContact CE-CG2 4.43Å; M45-V56 HydrophobicContact SD-CG2 4.34Å; L48-V56 HydrophobicContact CB-CG1 4.03Å; L48-V56 HydrophobicContact CB-CG2 3.66Å; D49-V56 HydrophobicContact CB-CG2 4.26Å; V56-E60 HydrophobicContact CG1-CB 4.42Å; V56-Y61 HydrophobicContact CG1-CD2 4.45Å
57T86.3Confident80.9Confident36 Ų3656.4 Ų56.422%0.22133%0.328CS..EExtended strand (participates in β ladder)trans-76.4159.3172.965.70000111.4I21 S59 E60 Y61I21-T57 HydrophobicContact CG2-CG2 3.69Å; T57-S59 PolarHBondContact O-N 3.35Å; T57-E60 WeakPolarHBondContact CB-OE2 3.39Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.33Å; T57-E60 PolarHBondContact N-OE2 2.96Å; T57-E60 PolarHBondContact O-N 2.97Å; T57-E60 VanDerWaalsContact O-N 3.1Å; T57-E60 WeakPolarHBondContact OG1-CG 3.24Å; T57-E60 PolarHBondContact OG1-N 3.38Å; T57-E60 PolarHBondContact OG1-OE2 3.1Å; T57-Y61 PolarHBondContact O-N 3.19Å
58F81.9Confident79.3Confident49 Ų4951.8 Ų51.822%0.21532%0.318CS..Hα-helixtrans-53.3-38.6174.7-175.3-101.8000112.4K4 L7 I8 F11 Y61 E62K4-F58 HydrophobicContact CG-CZ 4.31Å; L7-F58 HydrophobicContact CB-CE2 4.38Å; I8-F58 HydrophobicContact CB-CE2 4.37Å; I8-F58 HydrophobicContact CD1-CZ 4.2Å; I8-F58 HydrophobicContact CG1-CE2 3.42Å; I8-F58 VanDerWaalsContact CG1-CE2 3.42Å; I8-F58 HydrophobicContact CG1-CZ 3.53Å; F11-F58 HydrophobicContact CB-CD2 4.45Å; F11-F58 HydrophobicContact CD2-CD2 4.22Å; F11-F58 HydrophobicContact CE2-CB 4.33Å; F11-F58 HydrophobicContact CG-CD2 4.15Å; F11-F58 HydrophobicContact CZ-CB 4.44Å; F58-Y61 PolarHBondContact O-N 2.92Å; F58-E62 HydrophobicContact CD1-CG 4.2Å; F58-E62 WeakPolarHBondContact CD1-OE2 3.12Å; F58-E62 HydrophobicContact CE1-CG 3.77Å; F58-E62 WeakPolarHBondContact CE1-OE1 3.2Å; F58-E62 WeakPolarHBondContact CE1-OE2 3.41Å; F58-E62 HydrophobicContact CZ-CG 3.97Å; F58-E62 WeakPolarHBondContact O-CG 3.4Å; F58-E62 PolarHBondContact O-N 3.13Å
59S82Confident77.6Confident75 Ų7556.9 Ų56.952%0.52435%0.345SS..Hα-helixtrans-64.3-43178.3-166.40000112.1T57 Y61 E62 T63T57-S59 PolarHBondContact O-N 3.35Å; S59-Y61 VanDerWaalsContact C-N 3.32Å; S59-E62 PolarHBondContact O-N 3.36Å; S59-T63 PolarHBondContact O-N 3.49Å; S59-T63 PolarHBondContact O-OG1 3.36Å; S59-T63 VanDerWaalsContact O-OG1 3.05Å
60E83.7Confident75.6Confident14 Ų1469 Ų697%0.06540%0.401CS..Hα-helixtrans-68-37177.7-70.9169.6105.700111.7L50 N51 V56 T57 T63 A64L50-E60 PolarHBondContact N-OE1 2.95Å; N51-E60 WeakPolarHBondContact CB-OE1 2.88Å; N51-E60 PolarHBondContact N-OE1 3.2Å; N51-E60 PolarHBondContact ND2-OE1 2.86Å; N51-E60 PolarHBondContact ND2-OE2 2.75Å; N51-E60 PolarHBondContact OD1-OE1 2.98Å; V56-E60 HydrophobicContact CG1-CB 4.42Å; T57-E60 WeakPolarHBondContact CB-OE2 3.39Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.33Å; T57-E60 PolarHBondContact N-OE2 2.96Å; T57-E60 PolarHBondContact O-N 2.97Å; T57-E60 VanDerWaalsContact O-N 3.1Å; T57-E60 WeakPolarHBondContact OG1-CG 3.24Å; T57-E60 PolarHBondContact OG1-N 3.38Å; T57-E60 PolarHBondContact OG1-OE2 3.1Å; E60-T63 PolarHBondContact O-N 3.26Å; E60-A64 WeakPolarHBondContact O-CB 3.45Å; E60-A64 PolarHBondContact O-N 2.75Å
61Y80.8Confident75.2Confident24 Ų2467.7 Ų67.79%0.09440%0.396CS..Hα-helixtrans-62.7-44.2174.4-169.6-107.4000111.8L7 L10 F11 L48 V56 T57 F58 S59 T63 A64 V65L7-Y61 HydrophobicContact CB-CD1 3.96Å; L7-Y61 HydrophobicContact CB-CE1 3.74Å; L7-Y61 HydrophobicContact CD1-CD1 4.34Å; L7-Y61 HydrophobicContact CD2-CD1 3.78Å; L7-Y61 HydrophobicContact CD2-CE1 3.22Å; L7-Y61 HydrophobicContact CG-CD1 4.23Å; L7-Y61 HydrophobicContact CG-CE1 3.97Å; L10-Y61 HydrophobicContact CB-CE1 4.48Å; L10-Y61 WeakPolarHBondContact CD1-OH 3.31Å; F11-Y61 HydrophobicContact CD2-CD1 4.44Å; F11-Y61 HydrophobicContact CD2-CG 4.35Å; L48-Y61 HydrophobicContact CD2-CD2 4.09Å; L48-Y61 HydrophobicContact CD2-CE2 4.2Å; V56-Y61 HydrophobicContact CG1-CD2 4.45Å; T57-Y61 PolarHBondContact O-N 3.19Å; F58-Y61 PolarHBondContact O-N 2.92Å; S59-Y61 VanDerWaalsContact C-N 3.32Å; Y61-T63 VanDerWaalsContact C-N 3.32Å; Y61-T63 PolarHBondContact O-N 3.31Å; Y61-A64 PolarHBondContact O-N 3.18Å; Y61-V65 HydrophobicContact CD2-CG2 4.48Å; Y61-V65 HydrophobicContact CE1-CG2 4.25Å; Y61-V65 HydrophobicContact CE2-CG2 4.17Å; Y61-V65 VanDerWaalsContact O-CG2 3.31Å; Y61-V65 WeakPolarHBondContact O-CG2 3.18Å; Y61-V65 PolarHBondContact O-N 3.04Å
62E80.8Confident74.7Confident51 Ų5166.5 Ų66.524%0.23839%0.392CS..Hα-helixtrans-58.2-44.4173-74.3-172.2116.900111.7L7 F58 S59 I67L7-E62 HydrophobicContact CD1-CB 4.34Å; L7-E62 HydrophobicContact CD1-CG 3.74Å; F58-E62 HydrophobicContact CD1-CG 4.2Å; F58-E62 WeakPolarHBondContact CD1-OE2 3.12Å; F58-E62 HydrophobicContact CE1-CG 3.77Å; F58-E62 WeakPolarHBondContact CE1-OE1 3.2Å; F58-E62 WeakPolarHBondContact CE1-OE2 3.41Å; F58-E62 HydrophobicContact CZ-CG 3.97Å; F58-E62 WeakPolarHBondContact O-CG 3.4Å; F58-E62 PolarHBondContact O-N 3.13Å; S59-E62 PolarHBondContact O-N 3.36Å; E62-I67 PolarHBondContact O-N 2.88Å
63T81.3Confident74.3Confident51 Ų5166.7 Ų66.731%0.31338%0.378SS..Hα-helixtrans-67.1-44.1178.8-60.80000111.8L50 S59 E60 Y61 V65 G66 N68L50-T63 HydrophobicContact CD1-CG2 3.35Å; S59-T63 PolarHBondContact O-N 3.49Å; S59-T63 PolarHBondContact O-OG1 3.36Å; S59-T63 VanDerWaalsContact O-OG1 3.05Å; E60-T63 PolarHBondContact O-N 3.26Å; Y61-T63 VanDerWaalsContact C-N 3.32Å; Y61-T63 PolarHBondContact O-N 3.31Å; T63-V65 PolarHBondContact O-N 3.19Å; T63-G66 PolarHBondContact O-N 3.22Å; T63-G66 VanDerWaalsContact O-N 3.11Å; T63-N68 VanDerWaalsContact CA-ND2 3.31Å; T63-N68 WeakPolarHBondContact CA-ND2 3.48Å; T63-N68 WeakPolarHBondContact CG2-ND2 3.24Å; T63-N68 PolarHBondContact O-ND2 3.05Å; T63-N68 VanDerWaalsContact O-ND2 3.16Å; T63-N68 PolarHBondContact OG1-OD1 3.02Å
64A75.9Confident73.6Confident39 Ų3966.5 Ų66.532%0.32238%0.378SS..Hα-helixtrans-67.8-34.8-177.900000112.6L48 L50 E60 Y61 G66L48-A64 HydrophobicContact CD2-CB 4.09Å; L50-A64 HydrophobicContact CD1-CB 4.43Å; E60-A64 WeakPolarHBondContact O-CB 3.45Å; E60-A64 PolarHBondContact O-N 2.75Å; Y61-A64 PolarHBondContact O-N 3.18Å; A64-G66 PolarHBondContact O-N 3.05Å
65V73.4Confident72.9Confident74 Ų7469 Ų6945%0.44839%0.385SS..THydrogen-bonded Turntrans-75.8-3.2175.6-178.80000112.1L7 Y61 T63 I67L7-V65 HydrophobicContact CD2-CB 3.9Å; L7-V65 HydrophobicContact CD2-CG1 3.79Å; L7-V65 HydrophobicContact CD2-CG2 3.73Å; Y61-V65 HydrophobicContact CD2-CG2 4.48Å; Y61-V65 HydrophobicContact CE1-CG2 4.25Å; Y61-V65 HydrophobicContact CE2-CG2 4.17Å; Y61-V65 VanDerWaalsContact O-CG2 3.31Å; Y61-V65 WeakPolarHBondContact O-CG2 3.18Å; Y61-V65 PolarHBondContact O-N 3.04Å; T63-V65 PolarHBondContact O-N 3.19Å; V65-I67 HydrophobicContact CG1-CG1 4.35Å
66G68.4Low72.1Confident57 Ų5768.8 Ų68.859%0.58839%0.39SS*.THydrogen-bonded Turntrans7627.4175.300000113T63 A64 N68T63-G66 PolarHBondContact O-N 3.22Å; T63-G66 VanDerWaalsContact O-N 3.11Å; A64-G66 PolarHBondContact O-N 3.05Å; G66-N68 PolarHBondContact O-N 3.2Å
67I60.8Low71Confident44 Ų4473.6 Ų73.623%0.22642%0.417CS..  trans-87.826.7167.3-39.8-167.6000110.3N3 L7 E62 V65 N69N3-I67 HydrophobicContact CB-CD1 3.53Å; L7-I67 HydrophobicContact CD1-CD1 3.36Å; L7-I67 HydrophobicContact CD1-CG1 4.17Å; L7-I67 HydrophobicContact CD2-CD1 4.45Å; L7-I67 HydrophobicContact CG-CD1 3.98Å; E62-I67 PolarHBondContact O-N 2.88Å; V65-I67 HydrophobicContact CG1-CG1 4.35Å; I67-N69 VanDerWaalsContact C-N 3.26Å; I67-N69 PolarHBondContact O-N 2.97Å; I67-N69 PolarHBondContact O-ND2 3.37Å
68N49.1Very low69.8Low99 Ų9976.5 Ų76.553%0.52943%0.432SS..  trans-77.495.3159.4-56.6-55.9000105.8T63 G66 E70T63-N68 VanDerWaalsContact CA-ND2 3.31Å; T63-N68 WeakPolarHBondContact CA-ND2 3.48Å; T63-N68 WeakPolarHBondContact CG2-ND2 3.24Å; T63-N68 PolarHBondContact O-ND2 3.05Å; T63-N68 VanDerWaalsContact O-ND2 3.16Å; T63-N68 PolarHBondContact OG1-OD1 3.02Å; G66-N68 PolarHBondContact O-N 3.2Å; N68-E70 PolarHBondContact O-N 3.18Å
69N46.4Very low68.8Low146 Ų14678.8 Ų78.878%0.78145%0.45SS*.  trans-59.5113.4163.6-66.6-103.1000105.7I67I67-N69 VanDerWaalsContact C-N 3.26Å; I67-N69 PolarHBondContact O-N 2.97Å; I67-N69 PolarHBondContact O-ND2 3.37Å
70E43.6Very low67.6Low271 Ų27179.1 Ų79.1100%1.26644%0.443SS*.  trans-100.60152.5-149.5147.687.100107.3N68N68-E70 PolarHBondContact O-N 3.18Å

Retrieved 70 of 70 residues in 79.3 ms (Link to these results)

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