A0A5K4EV34_SCHMA Loading...

Fibrous sheath-interacting protein 1

AlphaFold DB , UniProt , Accession A0A5K4EV34, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 71 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
1M55.1Low81.9Confident173 Ų173101.2 Ų101.285%0.85253%0.526SS*.  0119.50-76.5-177.4173.700107N22M1-N22 PolarHBondContact N-OD1 2.74Å
2D75.5Confident82.3Confident122 Ų12296 Ų9665%0.65252%0.515SS*.  trans-116.2120.2174.9-60.2-75000106.5F19 E20 Q21D2-F19 WeakPolarHBondContact CA-O 3.38Å; D2-E20 WeakPolarHBondContact OD1-CA 3.34Å; D2-Q21 PolarHBondContact OD1-N 3.38Å
3G83.2Confident82.7Confident26 Ų2692.7 Ų92.727%0.26849%0.492SS..EExtended strand (participates in β ladder)trans143.8178.1-173.300000114.2G5 Q18 F19G3-G5 PolarHBondContact O-N 2.73Å; G3-Q18 VanDerWaalsContact C-NE2 3.31Å; G3-F19 PolarHBondContact N-O 2.77Å; G3-F19 PolarHBondContact O-N 3.32Å
4L85.6Confident83.3Confident144 Ų14489.1 Ų89.175%0.75447%0.472SS*.EExtended strand (participates in β ladder)trans-68.3112.2170.2-76.6162.6000109.2
5G87.7Confident83.6Confident21 Ų2183.5 Ų83.522%0.21644%0.443CS..EExtended strand (participates in β ladder)trans-105.3148.7173.800000110.6G3 K16 A17G3-G5 PolarHBondContact O-N 2.73Å; G5-K16 WeakPolarHBondContact O-CA 3.45Å; G5-A17 PolarHBondContact N-O 3.22Å; G5-A17 PolarHBondContact O-N 3.14Å; G5-A17 VanDerWaalsContact O-N 3.09Å
6I89.6Confident84Confident85 Ų8582.9 Ų82.944%0.43644%0.435SS..EExtended strand (participates in β ladder)trans-120.2123.9174.9-51.9-178.4000107.9Y8 I14 L15 K16I6-Y8 HydrophobicContact CB-CE2 4.16Å; I6-Y8 HydrophobicContact CG2-CD2 4.27Å; I6-Y8 HydrophobicContact CG2-CE1 4.23Å; I6-Y8 HydrophobicContact CG2-CE2 3.62Å; I6-I14 HydrophobicContact CG2-CG2 3.42Å; I6-I14 VanDerWaalsContact CG2-CG2 3.42Å; I6-L15 CarbonylContact C-O 3.5Å; I6-L15 VanDerWaalsContact CA-O 3.27Å; I6-L15 WeakPolarHBondContact CA-O 3.47Å; I6-K16 HydrophobicContact CD1-CD 4.5Å; I6-K16 HydrophobicContact CD1-CG 4.5Å; I6-K16 HydrophobicContact CG1-CG 4.12Å; I6-K16 HydrophobicContact CG2-CG 4.2Å
7Y84.9Confident84.2Confident111 Ų11178.1 Ų78.144%0.43541%0.41SS..EExtended strand (participates in β ladder)trans-109132.4175.3-167.8-89.5000109.7W9 I14 L15Y7-W9 AromaticContact CD1-CD1 4Å; Y7-W9 AromaticContact CD1-CD2 3.69Å; Y7-W9 HydrophobicContact CD1-CD2 3.69Å; Y7-W9 AromaticContact CD1-CE2 3.53Å; Y7-W9 HydrophobicContact CD1-CE3 4.29Å; Y7-W9 AromaticContact CD1-CG 3.96Å; Y7-W9 HydrophobicContact CD1-CG 3.96Å; Y7-W9 HydrophobicContact CD1-CZ2 4.05Å; Y7-W9 AromaticContact CD1-NE1 3.68Å; Y7-W9 AromaticContact CE1-CD1 3.48Å; Y7-W9 VanDerWaalsContact CE1-CD1 3.48Å; Y7-W9 AromaticContact CE1-CD2 4Å; Y7-W9 HydrophobicContact CE1-CD2 4Å; Y7-W9 AromaticContact CE1-CE2 3.76Å; Y7-W9 AromaticContact CE1-CG 3.8Å; Y7-W9 HydrophobicContact CE1-CG 3.8Å; Y7-W9 AromaticContact CE1-NE1 3.38Å; Y7-I14 CarbonylContact O-C 3.56Å; Y7-I14 WeakPolarHBondContact O-CA 3.4Å; Y7-L15 PolarHBondContact N-O 2.82Å; Y7-L15 PolarHBondContact O-N 3.39Å
8Y86.5Confident84.3Confident156 Ų15677.3 Ų77.361%0.61240%0.404SS*.EExtended strand (participates in β ladder)trans-110.2116.5179-61.1-94.1000108.4I6 I14I6-Y8 HydrophobicContact CB-CE2 4.16Å; I6-Y8 HydrophobicContact CG2-CD2 4.27Å; I6-Y8 HydrophobicContact CG2-CE1 4.23Å; I6-Y8 HydrophobicContact CG2-CE2 3.62Å; Y8-I14 HydrophobicContact CD1-CD1 4.14Å; Y8-I14 HydrophobicContact CD1-CG1 3.9Å; Y8-I14 HydrophobicContact CD1-CG2 4.14Å; Y8-I14 HydrophobicContact CE1-CD1 4Å; Y8-I14 HydrophobicContact CE1-CG1 4.2Å; Y8-I14 HydrophobicContact CE1-CG2 4.04Å
9W83.8Confident84.2Confident45 Ų4575.6 Ų75.617%0.1739%0.393CS..  trans-84.1148174.1-72.6-83.7000111.1Y7 N11 G12 Y13 L15 I32 F66Y7-W9 AromaticContact CD1-CD1 4Å; Y7-W9 AromaticContact CD1-CD2 3.69Å; Y7-W9 HydrophobicContact CD1-CD2 3.69Å; Y7-W9 AromaticContact CD1-CE2 3.53Å; Y7-W9 HydrophobicContact CD1-CE3 4.29Å; Y7-W9 AromaticContact CD1-CG 3.96Å; Y7-W9 HydrophobicContact CD1-CG 3.96Å; Y7-W9 HydrophobicContact CD1-CZ2 4.05Å; Y7-W9 AromaticContact CD1-NE1 3.68Å; Y7-W9 AromaticContact CE1-CD1 3.48Å; Y7-W9 VanDerWaalsContact CE1-CD1 3.48Å; Y7-W9 AromaticContact CE1-CD2 4Å; Y7-W9 HydrophobicContact CE1-CD2 4Å; Y7-W9 AromaticContact CE1-CE2 3.76Å; Y7-W9 AromaticContact CE1-CG 3.8Å; Y7-W9 HydrophobicContact CE1-CG 3.8Å; Y7-W9 AromaticContact CE1-NE1 3.38Å; W9-N11 WeakPolarHBondContact CB-OD1 3.22Å; W9-N11 PolarHBondContact O-N 3.21Å; W9-G12 PolarHBondContact O-N 2.93Å; W9-Y13 VanDerWaalsContact CE3-CB 3.44Å; W9-Y13 PolarHBondContact N-O 3.09Å; W9-L15 HydrophobicContact CE3-CB 4.2Å; W9-L15 HydrophobicContact CH2-CB 3.05Å; W9-L15 HydrophobicContact CH2-CD1 4.41Å; W9-L15 HydrophobicContact CH2-CD2 3.64Å; W9-L15 HydrophobicContact CH2-CG 3.87Å; W9-L15 HydrophobicContact CZ2-CB 4Å; W9-L15 HydrophobicContact CZ2-CD2 3.96Å; W9-L15 HydrophobicContact CZ3-CB 3.15Å; W9-L15 HydrophobicContact CZ3-CG 4.39Å; W9-L15 VanDerWaalsContact CZ3-N 3.32Å; W9-I32 HydrophobicContact CH2-CD1 4.11Å; W9-I32 HydrophobicContact CZ3-CD1 4.39Å; W9-I32 HydrophobicContact CZ3-CG2 4.36Å; W9-F66 HydrophobicContact CD2-CZ 4.17Å; W9-F66 AromaticContact CE2-CZ 3.45Å; W9-F66 VanDerWaalsContact CE2-CZ 3.45Å; W9-F66 HydrophobicContact CE3-CZ 4.49Å; W9-F66 HydrophobicContact CH2-CD1 4.43Å; W9-F66 AromaticContact CH2-CE1 3.62Å; W9-F66 HydrophobicContact CH2-CE1 3.62Å; W9-F66 AromaticContact CH2-CE2 3.9Å; W9-F66 HydrophobicContact CH2-CE2 3.9Å; W9-F66 AromaticContact CH2-CZ 3.32Å; W9-F66 HydrophobicContact CH2-CZ 3.32Å; W9-F66 HydrophobicContact CZ2-CD1 4.4Å; W9-F66 AromaticContact CZ2-CE1 3.27Å; W9-F66 HydrophobicContact CZ2-CE1 3.27Å; W9-F66 HydrophobicContact CZ2-CE2 4.07Å; W9-F66 AromaticContact CZ2-CZ 3.07Å; W9-F66 HydrophobicContact CZ2-CZ 3.07Å; W9-F66 HydrophobicContact CZ3-CE2 4.33Å; W9-F66 HydrophobicContact CZ3-CZ 4.08Å; W9-F66 AromaticContact NE1-CZ 3.91Å
10P83.8Confident84Confident137 Ų13776.4 Ų76.489%0.8939%0.394SS*.THydrogen-bonded Turntrans-65-18.7178.425.7-34.2000113.5G12P10-G12 PolarHBondContact O-N 2.76Å
11N85.1Confident83.8Confident93 Ų9379.7 Ų79.750%0.49741%0.408SS..THydrogen-bonded Turntrans-79.61.6173.465.8-2.6000113.4W9 Y13W9-N11 WeakPolarHBondContact CB-OD1 3.22Å; W9-N11 PolarHBondContact O-N 3.21Å; N11-Y13 HydrophobicContact CB-CD2 4.26Å; N11-Y13 VanDerWaalsContact ND2-CD2 3.29Å; N11-Y13 WeakPolarHBondContact ND2-CD2 3.27Å; N11-Y13 WeakPolarHBondContact OD1-CB 3.43Å; N11-Y13 WeakPolarHBondContact OD1-CD2 3.27Å; N11-Y13 PolarHBondContact OD1-N 2.93Å; N11-Y13 VanDerWaalsContact OD1-N 3.15Å
12G87Confident84.5Confident39 Ų3977.2 Ų77.240%0.40240%0.398SS..SBendtrans92.20.9178.700000114.9W9 P10W9-G12 PolarHBondContact O-N 2.93Å; P10-G12 PolarHBondContact O-N 2.76Å
13Y87.9Confident84.4Confident53 Ų5376.8 Ų76.821%0.20840%0.396CS..  trans-76.4151.5173.9-72.9-108.9000110.5W9 N11 I32 I33 D34 M64W9-Y13 VanDerWaalsContact CE3-CB 3.44Å; W9-Y13 PolarHBondContact N-O 3.09Å; N11-Y13 HydrophobicContact CB-CD2 4.26Å; N11-Y13 VanDerWaalsContact ND2-CD2 3.29Å; N11-Y13 WeakPolarHBondContact ND2-CD2 3.27Å; N11-Y13 WeakPolarHBondContact OD1-CB 3.43Å; N11-Y13 WeakPolarHBondContact OD1-CD2 3.27Å; N11-Y13 PolarHBondContact OD1-N 2.93Å; N11-Y13 VanDerWaalsContact OD1-N 3.15Å; Y13-I32 HydrophobicContact CD1-CG2 3.81Å; Y13-I33 CarbonylContact C-O 3.44Å; Y13-I33 VanDerWaalsContact CA-O 3.25Å; Y13-I33 WeakPolarHBondContact CA-O 3.15Å; Y13-D34 HydrophobicContact CD1-CB 3.89Å; Y13-D34 HydrophobicContact CE1-CB 3.38Å; Y13-M64 HydrophobicContact CD1-CE 4.41Å; Y13-M64 HydrophobicContact CE1-CE 3.43Å; Y13-M64 VanDerWaalsContact CE1-CE 3.43Å; Y13-M64 HydrophobicContact CE1-SD 4.12Å
14I91Very high84.2Confident42 Ų4276.5 Ų76.522%0.21539%0.388CS..EExtended strand (participates in β ladder)trans-129.6123.2176.5-51.1174.9000108.8I6 Y7 Y8 I32 I33I6-I14 HydrophobicContact CG2-CG2 3.42Å; I6-I14 VanDerWaalsContact CG2-CG2 3.42Å; Y7-I14 CarbonylContact O-C 3.56Å; Y7-I14 WeakPolarHBondContact O-CA 3.4Å; Y8-I14 HydrophobicContact CD1-CD1 4.14Å; Y8-I14 HydrophobicContact CD1-CG1 3.9Å; Y8-I14 HydrophobicContact CD1-CG2 4.14Å; Y8-I14 HydrophobicContact CE1-CD1 4Å; Y8-I14 HydrophobicContact CE1-CG1 4.2Å; Y8-I14 HydrophobicContact CE1-CG2 4.04Å; I14-I32 CarbonylContact O-C 3.43Å; I14-I32 VanDerWaalsContact O-CA 3.24Å; I14-I32 WeakPolarHBondContact O-CA 3.24Å; I14-I33 HydrophobicContact CB-CB 4.15Å; I14-I33 HydrophobicContact CB-CD1 4.49Å; I14-I33 PolarHBondContact N-O 2.9Å; I14-I33 PolarHBondContact O-N 3Å
15L86.7Confident84Confident6 Ų673 Ų733%0.03137%0.368CS..EExtended strand (participates in β ladder)trans-104.7130.3172.2164.776.4000110.9I6 Y7 W9 A17 I24 I30 E31 I32 L68I6-L15 CarbonylContact C-O 3.5Å; I6-L15 VanDerWaalsContact CA-O 3.27Å; I6-L15 WeakPolarHBondContact CA-O 3.47Å; Y7-L15 PolarHBondContact N-O 2.82Å; Y7-L15 PolarHBondContact O-N 3.39Å; W9-L15 HydrophobicContact CE3-CB 4.2Å; W9-L15 HydrophobicContact CH2-CB 3.05Å; W9-L15 HydrophobicContact CH2-CD1 4.41Å; W9-L15 HydrophobicContact CH2-CD2 3.64Å; W9-L15 HydrophobicContact CH2-CG 3.87Å; W9-L15 HydrophobicContact CZ2-CB 4Å; W9-L15 HydrophobicContact CZ2-CD2 3.96Å; W9-L15 HydrophobicContact CZ3-CB 3.15Å; W9-L15 HydrophobicContact CZ3-CG 4.39Å; W9-L15 VanDerWaalsContact CZ3-N 3.32Å; L15-A17 HydrophobicContact CD1-CB 4.25Å; L15-A17 HydrophobicContact CG-CB 4.27Å; L15-I24 HydrophobicContact CD2-CD1 4.05Å; L15-I30 HydrophobicContact CD1-CB 3.97Å; L15-I30 HydrophobicContact CD1-CG2 4.36Å; L15-E31 CarbonylContact C-O 3.57Å; L15-E31 WeakPolarHBondContact CA-O 3.5Å; L15-I32 HydrophobicContact CB-CG1 4.31Å; L15-I32 HydrophobicContact CD1-CD1 4.2Å; L15-I32 HydrophobicContact CD1-CG1 3.68Å; L15-L68 HydrophobicContact CD2-CD2 4.35Å
16K90.5Very high83.5Confident73 Ų7376 Ų7632%0.31738%0.379SS..EExtended strand (participates in β ladder)trans-114.2119.5171-54.2-175.6179.5176.80107.4G5 I6 I30 E31G5-K16 WeakPolarHBondContact O-CA 3.45Å; I6-K16 HydrophobicContact CD1-CD 4.5Å; I6-K16 HydrophobicContact CD1-CG 4.5Å; I6-K16 HydrophobicContact CG1-CG 4.12Å; I6-K16 HydrophobicContact CG2-CG 4.2Å; K16-I30 WeakPolarHBondContact O-CA 3.32Å; K16-E31 HydrophobicContact CB-CB 4.29Å; K16-E31 PolarHBondContact N-O 3.01Å; K16-E31 PolarHBondContact O-N 2.78Å
17A88.1Confident83.1Confident1 Ų176.1 Ų76.11%0.00838%0.38CS..EExtended strand (participates in β ladder)trans-143.7154.4-177.200000110.3G5 L15 F19 I24 I30G5-A17 PolarHBondContact N-O 3.22Å; G5-A17 PolarHBondContact O-N 3.14Å; G5-A17 VanDerWaalsContact O-N 3.09Å; L15-A17 HydrophobicContact CD1-CB 4.25Å; L15-A17 HydrophobicContact CG-CB 4.27Å; A17-F19 HydrophobicContact CB-CD2 4.46Å; A17-F19 HydrophobicContact CB-CE2 3.91Å; A17-F19 HydrophobicContact CB-CZ 4.27Å; A17-F19 VanDerWaalsContact O-CD2 3.27Å; A17-F19 WeakPolarHBondContact O-CD2 3.44Å; A17-F19 WeakPolarHBondContact O-CE2 3.33Å; A17-I24 HydrophobicContact CB-CD1 4.06Å; A17-I24 HydrophobicContact CB-CG1 4.03Å; A17-I24 HydrophobicContact CB-CG2 4.02Å; A17-I30 HydrophobicContact CB-CB 4.49Å; A17-I30 HydrophobicContact CB-CG2 3.61Å
18Q86.1Confident83.1Confident64 Ų6471.2 Ų71.230%0.29936%0.363SS..EExtended strand (participates in β ladder)trans-80.9117.7167.5-175.366.531.600108.5G3 I24 Q25G3-Q18 VanDerWaalsContact C-NE2 3.31Å; Q18-I24 WeakPolarHBondContact O-CA 2.97Å; Q18-Q25 PolarHBondContact O-N 2.85Å
19F82Confident83Confident45 Ų4568.9 Ų68.920%0.19736%0.36CS..EExtended strand (participates in β ladder)trans-94.1137.5172.7-64.3-98.5000109.3D2 G3 A17 N23 I24D2-F19 WeakPolarHBondContact CA-O 3.38Å; G3-F19 PolarHBondContact N-O 2.77Å; G3-F19 PolarHBondContact O-N 3.32Å; A17-F19 HydrophobicContact CB-CD2 4.46Å; A17-F19 HydrophobicContact CB-CE2 3.91Å; A17-F19 HydrophobicContact CB-CZ 4.27Å; A17-F19 VanDerWaalsContact O-CD2 3.27Å; A17-F19 WeakPolarHBondContact O-CD2 3.44Å; A17-F19 WeakPolarHBondContact O-CE2 3.33Å; F19-N23 CarbonylContact C-O 3.51Å; F19-N23 WeakPolarHBondContact CA-O 3.25Å; F19-I24 HydrophobicContact CD1-CG1 4.15Å; F19-I24 HydrophobicContact CE1-CG1 3.78Å; F19-I24 HydrophobicContact CZ-CG1 4.16Å
20E79.8Confident83.2Confident91 Ų9166.9 Ų66.943%0.42535%0.353SS..EExtended strand (participates in β ladder)trans-134119.7173.6-178.5172.3-138.400106.5D2 N22 N23 Q25D2-E20 WeakPolarHBondContact OD1-CA 3.34Å; E20-N22 VanDerWaalsContact C-N 3.33Å; E20-N22 PolarHBondContact O-N 2.95Å; E20-N23 PolarHBondContact N-O 2.85Å; E20-N23 PolarHBondContact O-N 2.83Å; E20-Q25 HydrophobicContact CB-CB 4.09Å; E20-Q25 PolarHBondContact OE2-NE2 2.89Å
21Q79Confident83.5Confident147 Ų14762.8 Ų62.869%0.68732%0.322SS*.THydrogen-bonded Turntrans54.344.7-178.3-56.3-178.76.200113.7D2 N23D2-Q21 PolarHBondContact OD1-N 3.38Å; Q21-N23 PolarHBondContact O-N 2.97Å; Q21-N23 VanDerWaalsContact O-N 3.14Å; Q21-N23 PolarHBondContact O-ND2 3.31Å
22N70.2Confident83.6Confident120 Ų12058.4 Ų58.464%0.64230%0.298SS*.THydrogen-bonded Turntrans64.45.8-176.6-54.5-49.3000115.4M1 E20M1-N22 PolarHBondContact N-OD1 2.74Å; E20-N22 VanDerWaalsContact C-N 3.33Å; E20-N22 PolarHBondContact O-N 2.95Å
23N74.7Confident83.7Confident114 Ų11457.7 Ų57.761%0.6129%0.285SS*.EExtended strand (participates in β ladder)trans-112.9155.4173.7-70.7-77.6000109.7F19 E20 Q21 Q25F19-N23 CarbonylContact C-O 3.51Å; F19-N23 WeakPolarHBondContact CA-O 3.25Å; E20-N23 PolarHBondContact N-O 2.85Å; E20-N23 PolarHBondContact O-N 2.83Å; Q21-N23 PolarHBondContact O-N 2.97Å; Q21-N23 VanDerWaalsContact O-N 3.14Å; Q21-N23 PolarHBondContact O-ND2 3.31Å; N23-Q25 PolarHBondContact O-N 2.83Å
24I79Confident83.7Confident20 Ų2055.8 Ų55.810%0.10328%0.279CS..EExtended strand (participates in β ladder)trans-69.1129.4169.2-59.8173.4000107.8L15 A17 Q18 F19 N26 I30 F44 L68L15-I24 HydrophobicContact CD2-CD1 4.05Å; A17-I24 HydrophobicContact CB-CD1 4.06Å; A17-I24 HydrophobicContact CB-CG1 4.03Å; A17-I24 HydrophobicContact CB-CG2 4.02Å; Q18-I24 WeakPolarHBondContact O-CA 2.97Å; F19-I24 HydrophobicContact CD1-CG1 4.15Å; F19-I24 HydrophobicContact CE1-CG1 3.78Å; F19-I24 HydrophobicContact CZ-CG1 4.16Å; I24-N26 PolarHBondContact O-N 3.22Å; I24-I30 HydrophobicContact CG2-CG2 3.9Å; I24-F44 HydrophobicContact CB-CD1 3.92Å; I24-F44 HydrophobicContact CB-CD2 4.24Å; I24-F44 HydrophobicContact CB-CE1 3.9Å; I24-F44 HydrophobicContact CB-CE2 4.26Å; I24-F44 HydrophobicContact CB-CG 4.1Å; I24-F44 HydrophobicContact CB-CZ 4.08Å; I24-F44 HydrophobicContact CD1-CD2 4.3Å; I24-F44 HydrophobicContact CD1-CE2 4.3Å; I24-F44 HydrophobicContact CG2-CB 3.79Å; I24-F44 HydrophobicContact CG2-CD1 3.55Å; I24-F44 HydrophobicContact CG2-CD2 3.92Å; I24-F44 HydrophobicContact CG2-CE1 4.08Å; I24-F44 HydrophobicContact CG2-CE2 4.43Å; I24-F44 HydrophobicContact CG2-CG 3.46Å; I24-F44 VanDerWaalsContact CG2-CG 3.46Å; I24-F44 WeakPolarHBondContact O-CE1 3.27Å; I24-L68 HydrophobicContact CD1-CD1 4.05Å; I24-L68 HydrophobicContact CD1-CD2 4.37Å
25Q79.6Confident83.4Confident71 Ų7157.9 Ų57.933%0.33230%0.297SS..PPolyproline II helixtrans-60129.2-179.7173.4173.56800110.2Q18 E20 N23 N27 S28 F44Q18-Q25 PolarHBondContact O-N 2.85Å; E20-Q25 HydrophobicContact CB-CB 4.09Å; E20-Q25 PolarHBondContact OE2-NE2 2.89Å; N23-Q25 PolarHBondContact O-N 2.83Å; Q25-N27 PolarHBondContact O-N 3.02Å; Q25-S28 WeakPolarHBondContact O-CB 3.13Å; Q25-S28 PolarHBondContact O-N 3.15Å; Q25-S28 PolarHBondContact O-OG 3.42Å; Q25-F44 WeakPolarHBondContact O-CD1 3.17Å
26N79.2Confident83.4Confident83 Ų8363.2 Ų63.244%0.44433%0.325SS..THydrogen-bonded Turntrans-60.3137179.2-169.819.1000110.6I24 S28 Q46I24-N26 PolarHBondContact O-N 3.22Å; N26-S28 PolarHBondContact O-N 2.99Å; N26-Q46 HydrophobicContact CB-CG 4.2Å; N26-Q46 PolarHBondContact ND2-OE1 2.95Å
27N81Confident83.2Confident87 Ų8762 Ų6247%0.46533%0.334SS..THydrogen-bonded Turntrans61.517.3-177-165.536.6000114.3Q25 R43 F44Q25-N27 PolarHBondContact O-N 3.02Å; N27-R43 VanDerWaalsContact CG-NH1 3.3Å; N27-R43 PolarHBondContact ND2-NH1 2.78Å; N27-R43 PolarHBondContact O-NH1 3.14Å; N27-R43 WeakPolarHBondContact OD1-CD 3.31Å; N27-R43 PolarHBondContact OD1-NH1 2.98Å; N27-F44 WeakPolarHBondContact CA-O 3.29Å; N27-F44 PolarHBondContact N-O 2.92Å
28S83.6Confident83.1Confident9 Ų966 Ų666%0.06335%0.351CS..  trans-75.5158.1171.476.70000111.4Q25 N26 R43 F44Q25-S28 WeakPolarHBondContact O-CB 3.13Å; Q25-S28 PolarHBondContact O-N 3.15Å; Q25-S28 PolarHBondContact O-OG 3.42Å; N26-S28 PolarHBondContact O-N 2.99Å; S28-R43 CarbonylContact O-C 3.47Å; S28-R43 WeakPolarHBondContact O-CA 3.31Å; S28-F44 PolarHBondContact O-N 3.18Å
29L85.3Confident83.3Confident107 Ų10766.5 Ų66.556%0.5635%0.353SS*.EExtended strand (participates in β ladder)trans-71.2134.2169.2-164.381.4000109.1E31 G42L29-E31 HydrophobicContact CD2-CG 4.36Å; L29-G42 WeakPolarHBondContact CA-O 3.45Å
30I87.3Confident83.6Confident2 Ų265 Ų651%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-122.3138168.956.2172.6000109.1L15 K16 A17 I24 T41 G42 F44 Q50 L52L15-I30 HydrophobicContact CD1-CB 3.97Å; L15-I30 HydrophobicContact CD1-CG2 4.36Å; K16-I30 WeakPolarHBondContact O-CA 3.32Å; A17-I30 HydrophobicContact CB-CB 4.49Å; A17-I30 HydrophobicContact CB-CG2 3.61Å; I24-I30 HydrophobicContact CG2-CG2 3.9Å; I30-T41 VanDerWaalsContact O-CA 3.31Å; I30-T41 WeakPolarHBondContact O-CA 3.34Å; I30-G42 WeakPolarHBondContact CG1-O 3.5Å; I30-G42 PolarHBondContact N-O 3.17Å; I30-G42 PolarHBondContact O-N 3.07Å; I30-F44 HydrophobicContact CD1-CB 4.19Å; I30-F44 HydrophobicContact CD1-CD2 4.39Å; I30-F44 HydrophobicContact CG1-CB 4.41Å; I30-F44 HydrophobicContact CG2-CB 3.83Å; I30-Q50 HydrophobicContact CD1-CB 4.13Å; I30-Q50 HydrophobicContact CD1-CG 3.89Å; I30-L52 HydrophobicContact CD1-CD2 3.64Å; I30-L52 HydrophobicContact CG1-CD2 3.68Å
31E89.6Confident84Confident52 Ų5262.1 Ų62.124%0.24334%0.335CS..EExtended strand (participates in β ladder)trans-117.9120.8174.5-53.8-171.190.900108.7L15 K16 L29 W40 T41 K55L15-E31 CarbonylContact C-O 3.57Å; L15-E31 WeakPolarHBondContact CA-O 3.5Å; K16-E31 HydrophobicContact CB-CB 4.29Å; K16-E31 PolarHBondContact N-O 3.01Å; K16-E31 PolarHBondContact O-N 2.78Å; L29-E31 HydrophobicContact CD2-CG 4.36Å; E31-W40 CarbonylContact C-O 3.55Å; E31-W40 VanDerWaalsContact CA-O 3.24Å; E31-W40 WeakPolarHBondContact CA-O 3.44Å; E31-T41 HydrophobicContact CB-CG2 4.18Å; E31-T41 HydrophobicContact CG-CG2 3.7Å; E31-K55 IonicContact OE1-NZ 2.9Å; E31-K55 PolarHBondContact OE1-NZ 3.21Å
32I87.7Confident84.3Confident1 Ų155.6 Ų55.61%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-105.4132.3170.8-61.7-168.7000108.2W9 Y13 I14 L15 Q39 W40 L52 M64 F66W9-I32 HydrophobicContact CH2-CD1 4.11Å; W9-I32 HydrophobicContact CZ3-CD1 4.39Å; W9-I32 HydrophobicContact CZ3-CG2 4.36Å; Y13-I32 HydrophobicContact CD1-CG2 3.81Å; I14-I32 CarbonylContact O-C 3.43Å; I14-I32 VanDerWaalsContact O-CA 3.24Å; I14-I32 WeakPolarHBondContact O-CA 3.24Å; L15-I32 HydrophobicContact CB-CG1 4.31Å; L15-I32 HydrophobicContact CD1-CD1 4.2Å; L15-I32 HydrophobicContact CD1-CG1 3.68Å; I32-Q39 CarbonylContact O-C 3.5Å; I32-W40 HydrophobicContact CB-CB 4.2Å; I32-W40 PolarHBondContact N-O 3.22Å; I32-W40 WeakPolarHBondContact O-CB 3.24Å; I32-W40 PolarHBondContact O-N 2.9Å; I32-L52 HydrophobicContact CB-CD1 3.92Å; I32-L52 HydrophobicContact CD1-CD1 3.34Å; I32-L52 HydrophobicContact CG1-CD1 3.57Å; I32-M64 HydrophobicContact CG2-SD 4.25Å; I32-F66 HydrophobicContact CD1-CB 4.07Å; I32-F66 HydrophobicContact CD1-CD1 4.22Å; I32-F66 HydrophobicContact CD1-CD2 3.61Å; I32-F66 HydrophobicContact CD1-CE2 4.14Å; I32-F66 HydrophobicContact CD1-CG 3.67Å
33I90Very high85Confident23 Ų2356.7 Ų56.712%0.11830%0.302CS..EExtended strand (participates in β ladder)trans-106123.5170.3-49.8172.8000105.7Y13 I14 K38 Q39Y13-I33 CarbonylContact C-O 3.44Å; Y13-I33 VanDerWaalsContact CA-O 3.25Å; Y13-I33 WeakPolarHBondContact CA-O 3.15Å; I14-I33 HydrophobicContact CB-CB 4.15Å; I14-I33 HydrophobicContact CB-CD1 4.49Å; I14-I33 PolarHBondContact N-O 2.9Å; I14-I33 PolarHBondContact O-N 3Å; I33-K38 CarbonylContact C-O 3.54Å; I33-K38 VanDerWaalsContact CA-O 3.25Å; I33-K38 WeakPolarHBondContact CA-O 3.25Å; I33-Q39 HydrophobicContact CG1-CG 4.28Å
34D86.9Confident85.3Confident14 Ų1452.5 Ų52.58%0.07528%0.278CS..  trans-77.5172.717569.418.9000111.8Y13 D36 G37 K38 W40Y13-D34 HydrophobicContact CD1-CB 3.89Å; Y13-D34 HydrophobicContact CE1-CB 3.38Å; D34-D36 PolarHBondContact O-N 2.84Å; D34-D36 VanDerWaalsContact OD1-CA 3.3Å; D34-D36 WeakPolarHBondContact OD1-CA 3.47Å; D34-D36 VanDerWaalsContact OD1-CB 3.27Å; D34-D36 WeakPolarHBondContact OD1-CB 3.24Å; D34-D36 PolarHBondContact OD1-N 2.79Å; D34-G37 PolarHBondContact O-N 3.29Å; D34-G37 PolarHBondContact OD1-N 2.71Å; D34-K38 PolarHBondContact N-O 2.85Å; D34-K38 PolarHBondContact OD1-N 2.74Å; D34-K38 VanDerWaalsContact OD2-CB 3.31Å; D34-K38 WeakPolarHBondContact OD2-CB 3.38Å; D34-K38 WeakPolarHBondContact OD2-CD 3.36Å; D34-W40 PolarHBondContact OD2-NE1 3.16Å; D34-W40 VanDerWaalsContact OD2-NE1 3.13Å
35S85.2Confident85.1Confident85 Ų8557.6 Ų57.659%0.59430%0.3SS*.THydrogen-bonded Turntrans-65.2-15.2178.260.50000113.8G37S35-G37 VanDerWaalsContact C-N 3.33Å
36D86.8Confident84.5Confident119 Ų11961.5 Ų61.564%0.63632%0.318SS*.THydrogen-bonded Turntrans-86.7-8.3175-159.9-127.8000111.4D34 K38D34-D36 PolarHBondContact O-N 2.84Å; D34-D36 VanDerWaalsContact OD1-CA 3.3Å; D34-D36 WeakPolarHBondContact OD1-CA 3.47Å; D34-D36 VanDerWaalsContact OD1-CB 3.27Å; D34-D36 WeakPolarHBondContact OD1-CB 3.24Å; D34-D36 PolarHBondContact OD1-N 2.79Å; D36-K38 HydrophobicContact CB-CG 4.47Å; D36-K38 WeakPolarHBondContact OD1-CE 3.4Å; D36-K38 IonicContact OD1-NZ 3.4Å; D36-K38 PolarHBondContact OD1-NZ 2.74Å
37G85.4Confident83.9Confident48 Ų4861 Ų6150%0.49532%0.321SS..  trans89.15.1-177.500000114.4D34 S35D34-G37 PolarHBondContact O-N 3.29Å; D34-G37 PolarHBondContact OD1-N 2.71Å; S35-G37 VanDerWaalsContact C-N 3.33Å
38K87.4Confident83Confident83 Ų8362.4 Ų62.436%0.36133%0.325SS..  trans-74.3139177.1-55175.1177.7148.40110.4I33 D34 D36 W40I33-K38 CarbonylContact C-O 3.54Å; I33-K38 VanDerWaalsContact CA-O 3.25Å; I33-K38 WeakPolarHBondContact CA-O 3.25Å; D34-K38 PolarHBondContact N-O 2.85Å; D34-K38 PolarHBondContact OD1-N 2.74Å; D34-K38 VanDerWaalsContact OD2-CB 3.31Å; D34-K38 WeakPolarHBondContact OD2-CB 3.38Å; D34-K38 WeakPolarHBondContact OD2-CD 3.36Å; D36-K38 HydrophobicContact CB-CG 4.47Å; D36-K38 WeakPolarHBondContact OD1-CE 3.4Å; D36-K38 IonicContact OD1-NZ 3.4Å; D36-K38 PolarHBondContact OD1-NZ 2.74Å; K38-W40 HydrophobicContact CB-CZ2 4.43Å; K38-W40 HydrophobicContact CD-CZ2 4.26Å
39Q89.3Confident82.3Confident76 Ų7668.3 Ų68.336%0.35535%0.351SS..EExtended strand (participates in β ladder)trans-99.5126.1-179-56.3-168.1-2700110I32 I33 E54 K55I32-Q39 CarbonylContact O-C 3.5Å; I33-Q39 HydrophobicContact CG1-CG 4.28Å; Q39-E54 CarbonylContact O-C 3.56Å; Q39-E54 WeakPolarHBondContact O-CA 3.48Å; Q39-K55 HydrophobicContact CB-CB 4.08Å; Q39-K55 HydrophobicContact CB-CD 4.13Å; Q39-K55 WeakPolarHBondContact O-CB 3.3Å; Q39-K55 PolarHBondContact O-N 3.5Å
40W87.9Confident81.7Confident14 Ų1463.3 Ų63.35%0.05333%0.325CS..EExtended strand (participates in β ladder)trans-113.9126.3179-55.788.2000107.4E31 I32 D34 K38 L52 N53 E54 T62 M64E31-W40 CarbonylContact C-O 3.55Å; E31-W40 VanDerWaalsContact CA-O 3.24Å; E31-W40 WeakPolarHBondContact CA-O 3.44Å; I32-W40 HydrophobicContact CB-CB 4.2Å; I32-W40 PolarHBondContact N-O 3.22Å; I32-W40 WeakPolarHBondContact O-CB 3.24Å; I32-W40 PolarHBondContact O-N 2.9Å; D34-W40 PolarHBondContact OD2-NE1 3.16Å; D34-W40 VanDerWaalsContact OD2-NE1 3.13Å; K38-W40 HydrophobicContact CB-CZ2 4.43Å; K38-W40 HydrophobicContact CD-CZ2 4.26Å; W40-L52 HydrophobicContact CB-CB 3.95Å; W40-L52 HydrophobicContact CB-CD1 4.14Å; W40-N53 CarbonylContact C-O 3.6Å; W40-N53 WeakPolarHBondContact CA-O 3.4Å; W40-E54 HydrophobicContact CE3-CB 3.93Å; W40-E54 HydrophobicContact CH2-CB 4Å; W40-E54 HydrophobicContact CH2-CG 4.19Å; W40-E54 VanDerWaalsContact CH2-OE2 3.27Å; W40-E54 WeakPolarHBondContact CH2-OE2 3.32Å; W40-E54 HydrophobicContact CZ2-CG 4.46Å; W40-E54 HydrophobicContact CZ3-CB 3.63Å; W40-E54 HydrophobicContact CZ3-CG 4.26Å; W40-T62 HydrophobicContact CH2-CG2 3.33Å; W40-T62 HydrophobicContact CZ3-CG2 3.63Å; W40-M64 HydrophobicContact CD2-CB 4.13Å; W40-M64 HydrophobicContact CD2-SD 4.48Å; W40-M64 HydrophobicContact CE3-CB 3.92Å; W40-M64 HydrophobicContact CG-SD 4.27Å; W40-M64 HydrophobicContact CZ3-CB 4.43Å
41T88.4Confident81.1Confident30 Ų3068.2 Ų68.218%0.18435%0.346CS..EExtended strand (participates in β ladder)trans-126.2145.7179.769.50000110.7I30 E31 N53 K55I30-T41 VanDerWaalsContact O-CA 3.31Å; I30-T41 WeakPolarHBondContact O-CA 3.34Å; E31-T41 HydrophobicContact CB-CG2 4.18Å; E31-T41 HydrophobicContact CG-CG2 3.7Å; T41-N53 PolarHBondContact N-O 2.71Å; T41-N53 PolarHBondContact O-N 2.86Å; T41-K55 HydrophobicContact CG2-CB 4.26Å; T41-K55 HydrophobicContact CG2-CD 4.05Å; T41-K55 HydrophobicContact CG2-CG 4.3Å
42G86.4Confident80.6Confident9 Ų965.8 Ų65.89%0.09334%0.335CS..EExtended strand (participates in β ladder)trans-167.3177.5177.600000111.9L29 I30L29-G42 WeakPolarHBondContact CA-O 3.45Å; I30-G42 WeakPolarHBondContact CG1-O 3.5Å; I30-G42 PolarHBondContact N-O 3.17Å; I30-G42 PolarHBondContact O-N 3.07Å
43R84.6Confident80.3Confident144 Ų14466.8 Ų66.854%0.54334%0.34SS..EExtended strand (participates in β ladder)trans-94.7124.2173.7-76173.2171.5-90.7-1.4108.7N27 S28 K45N27-R43 VanDerWaalsContact CG-NH1 3.3Å; N27-R43 PolarHBondContact ND2-NH1 2.78Å; N27-R43 PolarHBondContact O-NH1 3.14Å; N27-R43 WeakPolarHBondContact OD1-CD 3.31Å; N27-R43 PolarHBondContact OD1-NH1 2.98Å; S28-R43 CarbonylContact O-C 3.47Å; S28-R43 WeakPolarHBondContact O-CA 3.31Å; R43-K45 PolarHBondContact O-N 3.04Å
44F80.2Confident79.9Confident25 Ų2566.5 Ų66.511%0.1134%0.338CS..  trans-61.9123172.1178-106.2000109.1I24 Q25 N27 S28 I30 Q50 L68I24-F44 HydrophobicContact CB-CD1 3.92Å; I24-F44 HydrophobicContact CB-CD2 4.24Å; I24-F44 HydrophobicContact CB-CE1 3.9Å; I24-F44 HydrophobicContact CB-CE2 4.26Å; I24-F44 HydrophobicContact CB-CG 4.1Å; I24-F44 HydrophobicContact CB-CZ 4.08Å; I24-F44 HydrophobicContact CD1-CD2 4.3Å; I24-F44 HydrophobicContact CD1-CE2 4.3Å; I24-F44 HydrophobicContact CG2-CB 3.79Å; I24-F44 HydrophobicContact CG2-CD1 3.55Å; I24-F44 HydrophobicContact CG2-CD2 3.92Å; I24-F44 HydrophobicContact CG2-CE1 4.08Å; I24-F44 HydrophobicContact CG2-CE2 4.43Å; I24-F44 HydrophobicContact CG2-CG 3.46Å; I24-F44 VanDerWaalsContact CG2-CG 3.46Å; I24-F44 WeakPolarHBondContact O-CE1 3.27Å; Q25-F44 WeakPolarHBondContact O-CD1 3.17Å; N27-F44 WeakPolarHBondContact CA-O 3.29Å; N27-F44 PolarHBondContact N-O 2.92Å; S28-F44 PolarHBondContact O-N 3.18Å; I30-F44 HydrophobicContact CD1-CB 4.19Å; I30-F44 HydrophobicContact CD1-CD2 4.39Å; I30-F44 HydrophobicContact CG1-CB 4.41Å; I30-F44 HydrophobicContact CG2-CB 3.83Å; F44-Q50 HydrophobicContact CD2-CG 4.25Å; F44-L68 HydrophobicContact CD2-CD1 3.87Å; F44-L68 HydrophobicContact CE2-CD1 3.34Å; F44-L68 HydrophobicContact CZ-CD1 4.41Å
45K75.6Confident79.4Confident128 Ų12871.3 Ų71.356%0.55736%0.359SS*.  trans-110.2142.4170.8-66.7-177.3179-177.30107.3R43 S47 Q50R43-K45 PolarHBondContact O-N 3.04Å; K45-S47 PolarHBondContact O-N 3.21Å; K45-S47 VanDerWaalsContact O-O 3.06Å; K45-Q50 PolarHBondContact O-NE2 2.88Å; K45-Q50 PolarHBondContact O-OE1 2.8Å
46Q67Low78.6Confident152 Ų15274.6 Ų74.671%0.7137%0.369SS*.SBendtrans-59.81.5172.5-72.8179.5-79.700114.7N26N26-Q46 HydrophobicContact CB-CG 4.2Å; N26-Q46 PolarHBondContact ND2-OE1 2.95Å
47S65.6Low77.2Confident72 Ų7273.7 Ų73.750%0.50336%0.36SS..SBendtrans-73.5142.3168.7-52.60000110.7K45 Q49 Q50K45-S47 PolarHBondContact O-N 3.21Å; K45-S47 VanDerWaalsContact O-O 3.06Å; S47-Q49 PolarHBondContact O-N 3.22Å; S47-Q50 PolarHBondContact O-NE2 2.78Å; S47-Q50 VanDerWaalsContact O-NE2 3.16Å
48H63.3Low75.7Confident118 Ų11878.3 Ų78.355%0.54637%0.373SS..SBendtrans-59.6-3.7176.1-53122.3000114.9N67 N69H48-N67 VanDerWaalsContact O-CA 3.24Å; H48-N67 WeakPolarHBondContact O-CA 3.28Å; H48-N67 PolarHBondContact O-OD1 3.42Å; H48-N69 PolarHBondContact CD2-OD1 3.36Å
49Q67.8Low74Confident132 Ų13281.6 Ų81.662%0.61739%0.388SS*.  trans-124.7110.5179.1-71.4-178-39.800108.9S47 F65S47-Q49 PolarHBondContact O-N 3.22Å; Q49-F65 HydrophobicContact CB-CD1 4.43Å
50Q72.4Confident72.3Confident2 Ų284.9 Ų84.91%0.00941%0.408CS..EExtended strand (participates in β ladder)trans-84.6130.5169.4-53.9-51.3-26.800109.5I30 F44 K45 S47 L52 F65 F66 L68I30-Q50 HydrophobicContact CD1-CB 4.13Å; I30-Q50 HydrophobicContact CD1-CG 3.89Å; F44-Q50 HydrophobicContact CD2-CG 4.25Å; K45-Q50 PolarHBondContact O-NE2 2.88Å; K45-Q50 PolarHBondContact O-OE1 2.8Å; S47-Q50 PolarHBondContact O-NE2 2.78Å; S47-Q50 VanDerWaalsContact O-NE2 3.16Å; Q50-L52 HydrophobicContact CB-CD2 4.24Å; Q50-L52 HydrophobicContact CB-CG 4.36Å; Q50-F65 VanDerWaalsContact O-CA 3.28Å; Q50-F65 WeakPolarHBondContact O-CA 3.09Å; Q50-F66 HydrophobicContact CB-CB 4.29Å; Q50-F66 PolarHBondContact N-O 3.49Å; Q50-F66 PolarHBondContact O-N 3.4Å; Q50-L68 HydrophobicContact CG-CD1 4.26Å
51K75.1Confident70.7Confident106 Ų10691.5 Ų91.546%0.46144%0.439SS..EExtended strand (participates in β ladder)trans-95.3110.8167.8174.3173.5166.7155.90108.1Q63K51-Q63 HydrophobicContact CD-CG 4.49Å; K51-Q63 VanDerWaalsContact CE-CD 3.4Å; K51-Q63 HydrophobicContact CG-CG 4.35Å; K51-Q63 VanDerWaalsContact NZ-CD 3.27Å
52L80Confident69.2Low0 Ų092.8 Ų92.80%045%0.447CS..EExtended strand (participates in β ladder)trans-109.3141.3176.2-51177.8000109.5I30 I32 W40 Q50 Q63 M64I30-L52 HydrophobicContact CD1-CD2 3.64Å; I30-L52 HydrophobicContact CG1-CD2 3.68Å; I32-L52 HydrophobicContact CB-CD1 3.92Å; I32-L52 HydrophobicContact CD1-CD1 3.34Å; I32-L52 HydrophobicContact CG1-CD1 3.57Å; W40-L52 HydrophobicContact CB-CB 3.95Å; W40-L52 HydrophobicContact CB-CD1 4.14Å; Q50-L52 HydrophobicContact CB-CD2 4.24Å; Q50-L52 HydrophobicContact CB-CG 4.36Å; L52-Q63 VanDerWaalsContact O-CA 3.3Å; L52-Q63 WeakPolarHBondContact O-CA 3.3Å; L52-M64 HydrophobicContact CB-CB 4.31Å; L52-M64 HydrophobicContact CD1-CG 4.44Å; L52-M64 PolarHBondContact N-O 3.07Å; L52-M64 PolarHBondContact O-N 2.77Å
53N82Confident68Low23 Ų2396.2 Ų96.212%0.12346%0.461CS..EExtended strand (participates in β ladder)trans-107.6143.1174-51.1-57000108.8W40 T41 K55 F59W40-N53 CarbonylContact C-O 3.6Å; W40-N53 WeakPolarHBondContact CA-O 3.4Å; T41-N53 PolarHBondContact N-O 2.71Å; T41-N53 PolarHBondContact O-N 2.86Å; N53-K55 PolarHBondContact O-N 2.91Å; N53-F59 VanDerWaalsContact ND2-CE1 3.32Å; N53-F59 WeakPolarHBondContact ND2-CE1 3.27Å
54E80.9Confident66.9Low16 Ų1691.1 Ų91.18%0.07544%0.443CS..EExtended strand (participates in β ladder)trans-61.6133.2173.1-161.5175.4102.700109.5Q39 W40 D56 K57Q39-E54 CarbonylContact O-C 3.56Å; Q39-E54 WeakPolarHBondContact O-CA 3.48Å; W40-E54 HydrophobicContact CE3-CB 3.93Å; W40-E54 HydrophobicContact CH2-CB 4Å; W40-E54 HydrophobicContact CH2-CG 4.19Å; W40-E54 VanDerWaalsContact CH2-OE2 3.27Å; W40-E54 WeakPolarHBondContact CH2-OE2 3.32Å; W40-E54 HydrophobicContact CZ2-CG 4.46Å; W40-E54 HydrophobicContact CZ3-CB 3.63Å; W40-E54 HydrophobicContact CZ3-CG 4.26Å; E54-D56 VanDerWaalsContact C-N 3.3Å; E54-D56 PolarHBondContact O-N 2.93Å; E54-K57 HydrophobicContact CB-CB 4.28Å; E54-K57 WeakPolarHBondContact OE1-CD 3.49Å; E54-K57 VanDerWaalsContact OE1-CE 3.28Å; E54-K57 WeakPolarHBondContact OE1-CE 3.28Å; E54-K57 WeakPolarHBondContact OE1-CG 3.15Å
55K75.3Confident66.1Low116 Ų11695.9 Ų95.950%0.50446%0.464SS..SBendtrans-70-30.5-177.2-166.3177.4-173.8167.60112.3E31 Q39 T41 N53E31-K55 IonicContact OE1-NZ 2.9Å; E31-K55 PolarHBondContact OE1-NZ 3.21Å; Q39-K55 HydrophobicContact CB-CB 4.08Å; Q39-K55 HydrophobicContact CB-CD 4.13Å; Q39-K55 WeakPolarHBondContact O-CB 3.3Å; Q39-K55 PolarHBondContact O-N 3.5Å; T41-K55 HydrophobicContact CG2-CB 4.26Å; T41-K55 HydrophobicContact CG2-CD 4.05Å; T41-K55 HydrophobicContact CG2-CG 4.3Å; N53-K55 PolarHBondContact O-N 2.91Å
56D68.5Low65.5Low154 Ų15491.3 Ų91.382%0.82445%0.445SS*.SBendtrans-92.2-21.5-173.2-156.1-107000113.1E54E54-D56 VanDerWaalsContact C-N 3.3Å; E54-D56 PolarHBondContact O-N 2.93Å
57K58.9Low65.3Low99 Ų9988.4 Ų88.443%0.4343%0.434SS..SBendtrans-103146.8178.6-79.7-179.8-166.4177.70113E54 F59E54-K57 HydrophobicContact CB-CB 4.28Å; E54-K57 WeakPolarHBondContact OE1-CD 3.49Å; E54-K57 VanDerWaalsContact OE1-CE 3.28Å; E54-K57 WeakPolarHBondContact OE1-CE 3.28Å; E54-K57 WeakPolarHBondContact OE1-CG 3.15Å; K57-F59 PolarHBondContact O-N 3.13Å
58N52.6Low65.2Low145 Ų14587.8 Ų87.878%0.77543%0.425SS*.  trans-49.4135169.1-95-45.2000109.9N60N58-N60 PolarHBondContact O-N 3.29Å
59F52.9Low64.6Low153 Ų15387 Ų8767%0.67142%0.424SS*.THydrogen-bonded Turntrans-44-5.7-172.1-110.6-102.5000118N53 K57N53-F59 VanDerWaalsContact ND2-CE1 3.32Å; N53-F59 WeakPolarHBondContact ND2-CE1 3.27Å; K57-F59 PolarHBondContact O-N 3.13Å
60N52Low63.6Low145 Ų14588.2 Ų88.278%0.77543%0.43SS*.THydrogen-bonded Turntrans-107-8.4-163.9-76.5-1.7000115.7N58N58-N60 PolarHBondContact O-N 3.29Å
61E54.6Low62.1Low153 Ų153101.3 Ų101.372%0.71548%0.481SS*.SBendtrans-114-24.4-167.9-72.1-174.593.100116.2
62T57.4Low61.4Low56 Ų56101.1 Ų101.134%0.34448%0.482SS..  trans-144.1120.4-176.8-38.30000112.7W40W40-T62 HydrophobicContact CH2-CG2 3.33Å; W40-T62 HydrophobicContact CZ3-CG2 3.63Å
63Q62.3Low60.4Low82 Ų82106.4 Ų106.438%0.38351%0.508SS..EExtended strand (participates in β ladder)trans-117.8122.6178.2-66.7169.463.200108.5K51 L52 F65K51-Q63 HydrophobicContact CD-CG 4.49Å; K51-Q63 VanDerWaalsContact CE-CD 3.4Å; K51-Q63 HydrophobicContact CG-CG 4.35Å; K51-Q63 VanDerWaalsContact NZ-CD 3.27Å; L52-Q63 VanDerWaalsContact O-CA 3.3Å; L52-Q63 WeakPolarHBondContact O-CA 3.3Å; Q63-F65 HydrophobicContact CB-CE2 4.23Å
64M61.3Low59.2Low36 Ų36111 Ų11118%0.17753%0.529CS..EExtended strand (participates in β ladder)trans-93.8128.9171.2170.3166.6-90.200109.2Y13 I32 W40 L52Y13-M64 HydrophobicContact CD1-CE 4.41Å; Y13-M64 HydrophobicContact CE1-CE 3.43Å; Y13-M64 VanDerWaalsContact CE1-CE 3.43Å; Y13-M64 HydrophobicContact CE1-SD 4.12Å; I32-M64 HydrophobicContact CG2-SD 4.25Å; W40-M64 HydrophobicContact CD2-CB 4.13Å; W40-M64 HydrophobicContact CD2-SD 4.48Å; W40-M64 HydrophobicContact CE3-CB 3.92Å; W40-M64 HydrophobicContact CG-SD 4.27Å; W40-M64 HydrophobicContact CZ3-CB 4.43Å; L52-M64 HydrophobicContact CB-CB 4.31Å; L52-M64 HydrophobicContact CD1-CG 4.44Å; L52-M64 PolarHBondContact N-O 3.07Å; L52-M64 PolarHBondContact O-N 2.77Å
65F62.5Low57.9Low125 Ų125116.6 Ų116.655%0.54856%0.556SS.*EExtended strand (participates in β ladder)trans-100.1114.5172.7-65.5-85000109.4Q49 Q50 Q63Q49-F65 HydrophobicContact CB-CD1 4.43Å; Q50-F65 VanDerWaalsContact O-CA 3.28Å; Q50-F65 WeakPolarHBondContact O-CA 3.09Å; Q63-F65 HydrophobicContact CB-CE2 4.23Å
66F63.3Low56.9Low33 Ų33116.6 Ų116.615%0.14556%0.559CS.*EExtended strand (participates in β ladder)trans-113.4131.4-178.5-155.7-88.7000110.8W9 I32 Q50 L68W9-F66 HydrophobicContact CD2-CZ 4.17Å; W9-F66 AromaticContact CE2-CZ 3.45Å; W9-F66 VanDerWaalsContact CE2-CZ 3.45Å; W9-F66 HydrophobicContact CE3-CZ 4.49Å; W9-F66 HydrophobicContact CH2-CD1 4.43Å; W9-F66 AromaticContact CH2-CE1 3.62Å; W9-F66 HydrophobicContact CH2-CE1 3.62Å; W9-F66 AromaticContact CH2-CE2 3.9Å; W9-F66 HydrophobicContact CH2-CE2 3.9Å; W9-F66 AromaticContact CH2-CZ 3.32Å; W9-F66 HydrophobicContact CH2-CZ 3.32Å; W9-F66 HydrophobicContact CZ2-CD1 4.4Å; W9-F66 AromaticContact CZ2-CE1 3.27Å; W9-F66 HydrophobicContact CZ2-CE1 3.27Å; W9-F66 HydrophobicContact CZ2-CE2 4.07Å; W9-F66 AromaticContact CZ2-CZ 3.07Å; W9-F66 HydrophobicContact CZ2-CZ 3.07Å; W9-F66 HydrophobicContact CZ3-CE2 4.33Å; W9-F66 HydrophobicContact CZ3-CZ 4.08Å; W9-F66 AromaticContact NE1-CZ 3.91Å; I32-F66 HydrophobicContact CD1-CB 4.07Å; I32-F66 HydrophobicContact CD1-CD1 4.22Å; I32-F66 HydrophobicContact CD1-CD2 3.61Å; I32-F66 HydrophobicContact CD1-CE2 4.14Å; I32-F66 HydrophobicContact CD1-CG 3.67Å; Q50-F66 HydrophobicContact CB-CB 4.29Å; Q50-F66 PolarHBondContact N-O 3.49Å; Q50-F66 PolarHBondContact O-N 3.4Å; F66-L68 HydrophobicContact CD1-CD2 4.18Å; F66-L68 HydrophobicContact CD1-CG 4.04Å; F66-L68 HydrophobicContact CE1-CD2 4Å; F66-L68 HydrophobicContact CE1-CG 4.28Å
67N62.6Low56.1Low90 Ų90114.1 Ų114.148%0.48154%0.541SS..  trans-108.1125.6176.8-166.7-7000110.3H48 N69H48-N67 VanDerWaalsContact O-CA 3.24Å; H48-N67 WeakPolarHBondContact O-CA 3.28Å; H48-N67 PolarHBondContact O-OD1 3.42Å; N67-N69 WeakPolarHBondContact OD1-CB 3.08Å; N67-N69 VanDerWaalsContact OD1-CG 3.27Å; N67-N69 PolarHBondContact OD1-N 2.66Å
68L62.8Low55.9Low60 Ų60115.2 Ų115.231%0.31455%0.549SS..  trans-98.219.5-176.5-75.8156000112.6L15 I24 F44 Q50 F66 E70L15-L68 HydrophobicContact CD2-CD2 4.35Å; I24-L68 HydrophobicContact CD1-CD1 4.05Å; I24-L68 HydrophobicContact CD1-CD2 4.37Å; F44-L68 HydrophobicContact CD2-CD1 3.87Å; F44-L68 HydrophobicContact CE2-CD1 3.34Å; F44-L68 HydrophobicContact CZ-CD1 4.41Å; Q50-L68 HydrophobicContact CG-CD1 4.26Å; F66-L68 HydrophobicContact CD1-CD2 4.18Å; F66-L68 HydrophobicContact CD1-CG 4.04Å; F66-L68 HydrophobicContact CE1-CD2 4Å; F66-L68 HydrophobicContact CE1-CG 4.28Å; L68-E70 PolarHBondContact O-N 3.04Å; L68-E70 VanDerWaalsContact O-N 3.14Å
69N52.5Low56.1Low101 Ų101112.9 Ų112.954%0.5453%0.532SS..  trans-77.215-174.9-85.5-0.6000116.4H48 N67H48-N69 PolarHBondContact CD2-OD1 3.36Å; N67-N69 WeakPolarHBondContact OD1-CB 3.08Å; N67-N69 VanDerWaalsContact OD1-CG 3.27Å; N67-N69 PolarHBondContact OD1-N 2.66Å
70E45.5Very low56.4Low158 Ų158109.6 Ų109.674%0.73852%0.52SS*.  trans-119.9116.8170.1-64.5-161.6114.200109.6L68L68-E70 PolarHBondContact O-N 3.04Å; L68-E70 VanDerWaalsContact O-N 3.14Å
71Y40.2Very low56.8Low276 Ų276106.4 Ų106.4100%1.08250%0.497SS*.  trans94.50170.5-52-75.8000117.8

Retrieved 71 of 71 residues in 50 ms (Link to these results)