A0A5K4F9W7_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F9W7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 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
1M56.5Low87.7Confident135 Ų13554.1 Ų54.167%0.66528%0.279SS*.  089.70-173.9-171.5-12000108.5L4 C20 V23M1-L4 HydrophobicContact SD-CD1 3.64Å; M1-L4 HydrophobicContact SD-CG 4.04Å; M1-C20 HydrophobicContact CE-CB 3.44Å; M1-C20 VanDerWaalsContact CE-CB 3.44Å; M1-C20 WeakPolarHBondContact CE-SG 3.39Å; M1-C20 HydrophobicContact SD-CB 3.93Å; M1-V23 HydrophobicContact CE-CG2 3.73Å
2H77.6Confident88.2Confident72 Ų7255.8 Ų55.833%0.33330%0.296SS..Hα-helixtrans-76.6-28.3-171.3-77.5-97.5000113.5L4 V5 S6H2-L4 PolarHBondContact O-N 3.21Å; H2-V5 PolarHBondContact O-N 2.96Å; H2-V5 VanDerWaalsContact O-N 3.09Å; H2-S6 WeakPolarHBondContact O-CB 3.47Å; H2-S6 PolarHBondContact O-N 3.5Å; H2-S6 PolarHBondContact O-OG 3.22Å; H2-S6 VanDerWaalsContact O-OG 3.08Å
3V87.6Confident88.5Confident39 Ų3964.1 Ų64.124%0.23633%0.331CS..Hα-helixtrans-56.1-49.3-176.1-179.70000112.5V5 S6 L7 I58 L77V3-V5 VanDerWaalsContact C-N 3.32Å; V3-V5 PolarHBondContact O-N 3.47Å; V3-S6 PolarHBondContact O-N 3.21Å; V3-L7 HydrophobicContact CG1-CD1 3.93Å; V3-L7 HydrophobicContact CG1-CG 4.33Å; V3-L7 WeakPolarHBondContact O-CB 3.44Å; V3-L7 VanDerWaalsContact O-CG 3.25Å; V3-L7 WeakPolarHBondContact O-CG 3.37Å; V3-L7 PolarHBondContact O-N 3.37Å; V3-I58 HydrophobicContact CG1-CD1 3.75Å; V3-I58 HydrophobicContact CG1-CG1 4.28Å; V3-L77 HydrophobicContact CG1-CD1 4.01Å
4L91.7Very high88.9Confident26 Ų2661 Ų6114%0.13632%0.315CS..Hα-helixtrans-65.3-34.5178.8-70.8-178.3000113.1M1 H2 L7 R8 A18 C20M1-L4 HydrophobicContact SD-CD1 3.64Å; M1-L4 HydrophobicContact SD-CG 4.04Å; H2-L4 PolarHBondContact O-N 3.21Å; L4-L7 HydrophobicContact CD2-CD1 4.45Å; L4-R8 WeakPolarHBondContact O-CB 3.3Å; L4-R8 WeakPolarHBondContact O-CD 3.43Å; L4-R8 WeakPolarHBondContact O-CG 3.35Å; L4-R8 PolarHBondContact O-N 3.06Å; L4-R8 VanDerWaalsContact O-N 3.07Å; L4-A18 HydrophobicContact CD2-CB 3.95Å; L4-A18 WeakPolarHBondContact CD2-O 3.11Å; L4-C20 HydrophobicContact CD1-CB 3.93Å; L4-C20 HydrophobicContact CD2-CB 3.88Å; L4-C20 HydrophobicContact CG-CB 3.77Å
5V90.6Very high89.2Confident71 Ų7157 Ų5743%0.4330%0.295SS..Hα-helixtrans-68.1-47.3176.2175.70000109.8H2 V3 L7 R8 L9H2-V5 PolarHBondContact O-N 2.96Å; H2-V5 VanDerWaalsContact O-N 3.09Å; V3-V5 VanDerWaalsContact C-N 3.32Å; V3-V5 PolarHBondContact O-N 3.47Å; V5-L7 PolarHBondContact O-N 3.31Å; V5-R8 PolarHBondContact O-N 2.93Å; V5-L9 HydrophobicContact CG1-CD1 3.98Å; V5-L9 HydrophobicContact CG1-CG 4.44Å; V5-L9 WeakPolarHBondContact O-CG 3.33Å; V5-L9 PolarHBondContact O-N 2.92Å
6S90.6Very high89.3Confident1 Ų162.2 Ų62.21%0.00731%0.314CS..Hα-helixtrans-57.8-49.3175.4-61.80000111H2 V3 R8 L9 G10 G80 Y81H2-S6 WeakPolarHBondContact O-CB 3.47Å; H2-S6 PolarHBondContact O-N 3.5Å; H2-S6 PolarHBondContact O-OG 3.22Å; H2-S6 VanDerWaalsContact O-OG 3.08Å; V3-S6 PolarHBondContact O-N 3.21Å; S6-R8 VanDerWaalsContact C-N 3.32Å; S6-R8 PolarHBondContact O-N 2.95Å; S6-L9 PolarHBondContact O-N 2.86Å; S6-G10 PolarHBondContact O-N 3Å; S6-G80 VanDerWaalsContact O-CA 3.23Å; S6-G80 WeakPolarHBondContact O-CA 3.36Å; S6-Y81 WeakPolarHBondContact OG-CA 3.43Å
7L93.8Very high89.5Confident0 Ų064.4 Ų64.40%033%0.327CS..Hα-helixtrans-56.1-46176.9-72.2173.1000112.1V3 L4 V5 L9 G10 N11 T15 I58 F73 I76 L77V3-L7 HydrophobicContact CG1-CD1 3.93Å; V3-L7 HydrophobicContact CG1-CG 4.33Å; V3-L7 WeakPolarHBondContact O-CB 3.44Å; V3-L7 VanDerWaalsContact O-CG 3.25Å; V3-L7 WeakPolarHBondContact O-CG 3.37Å; V3-L7 PolarHBondContact O-N 3.37Å; L4-L7 HydrophobicContact CD2-CD1 4.45Å; V5-L7 PolarHBondContact O-N 3.31Å; L7-L9 PolarHBondContact O-N 2.95Å; L7-G10 PolarHBondContact O-N 3.49Å; L7-N11 PolarHBondContact O-N 3.19Å; L7-T15 HydrophobicContact CB-CG2 3.88Å; L7-T15 HydrophobicContact CD2-CG2 4.41Å; L7-T15 PolarHBondContact O-OG1 2.93Å; L7-I58 HydrophobicContact CD1-CD1 4.45Å; L7-I58 HydrophobicContact CD1-CG1 4.47Å; L7-I58 HydrophobicContact CD1-CG2 3.68Å; L7-F73 HydrophobicContact CD1-CE2 4.36Å; L7-F73 HydrophobicContact CD1-CZ 4.18Å; L7-F73 HydrophobicContact CD2-CD2 4.45Å; L7-F73 HydrophobicContact CD2-CE1 4.48Å; L7-F73 HydrophobicContact CD2-CE2 3.77Å; L7-F73 HydrophobicContact CD2-CZ 3.78Å; L7-I76 HydrophobicContact CD2-CG2 3.99Å; L7-L77 HydrophobicContact CD2-CB 4.11Å; L7-L77 HydrophobicContact CD2-CD1 4.25Å; L7-L77 HydrophobicContact CG-CD1 4.21Å
8R94.3Very high89.8Confident118 Ų11861.1 Ų61.145%0.44531%0.311SS..Hα-helixtrans-63.6-38.2178.6-74.8171.7178.6170.92.2113.6L4 V5 S6 P12 T15 K16L4-R8 WeakPolarHBondContact O-CB 3.3Å; L4-R8 WeakPolarHBondContact O-CD 3.43Å; L4-R8 WeakPolarHBondContact O-CG 3.35Å; L4-R8 PolarHBondContact O-N 3.06Å; L4-R8 VanDerWaalsContact O-N 3.07Å; V5-R8 PolarHBondContact O-N 2.93Å; S6-R8 VanDerWaalsContact C-N 3.32Å; S6-R8 PolarHBondContact O-N 2.95Å; R8-P12 WeakPolarHBondContact O-CA 3.42Å; R8-P12 VanDerWaalsContact O-CB 3.28Å; R8-P12 WeakPolarHBondContact O-CB 3.33Å; R8-P12 WeakPolarHBondContact O-CD 3.42Å; R8-P12 VanDerWaalsContact O-N 3.16Å; R8-T15 VanDerWaalsContact CA-OG1 3.23Å; R8-T15 WeakPolarHBondContact CA-OG1 3.44Å; R8-T15 PolarHBondContact N-OG1 3.39Å; R8-K16 PolarHBondContact NE-O 3Å
9L93.2Very high90Very high70 Ų7063.9 Ų63.937%0.36632%0.321SS..Hα-helixtrans-73-37.8176-69.1173.9000111.8V5 S6 L7 Q83 A84V5-L9 HydrophobicContact CG1-CD1 3.98Å; V5-L9 HydrophobicContact CG1-CG 4.44Å; V5-L9 WeakPolarHBondContact O-CG 3.33Å; V5-L9 PolarHBondContact O-N 2.92Å; S6-L9 PolarHBondContact O-N 2.86Å; L7-L9 PolarHBondContact O-N 2.95Å; L9-Q83 HydrophobicContact CB-CB 4.32Å; L9-Q83 HydrophobicContact CD1-CB 4.39Å; L9-Q83 PolarHBondContact O-OE1 2.92Å; L9-A84 HydrophobicContact CD1-CB 3.88Å
10G93.8Very high90.2Very high22 Ų2261.9 Ų61.923%0.22731%0.313CS..Hα-helixtrans-69.4-42.5-17900000113.2S6 L7 I76S6-G10 PolarHBondContact O-N 3Å; L7-G10 PolarHBondContact O-N 3.49Å; G10-I76 WeakPolarHBondContact CA-O 3.49Å
11N94.8Very high90.3Very high41 Ų4163 Ų6322%0.21932%0.317CS..  trans-153.389.1175.1-171.1-32.4000110.6L7 H13 I14 T15 I76L7-N11 PolarHBondContact O-N 3.19Å; N11-H13 PolarHBondContact O-N 2.83Å; N11-H13 PolarHBondContact OD1-N 3.23Å; N11-I14 WeakPolarHBondContact ND2-CD1 3.32Å; N11-I14 PolarHBondContact O-N 3.17Å; N11-I14 PolarHBondContact OD1-N 3.12Å; N11-I14 VanDerWaalsContact OD1-N 3.12Å; N11-T15 WeakPolarHBondContact O-CB 3.34Å; N11-T15 WeakPolarHBondContact O-CG2 3.29Å; N11-T15 PolarHBondContact O-N 3.43Å; N11-T15 VanDerWaalsContact O-N 3.17Å; N11-T15 PolarHBondContact O-OG1 3.49Å; N11-I76 HydrophobicContact CB-CB 4.46Å; N11-I76 HydrophobicContact CB-CD1 3.91Å; N11-I76 HydrophobicContact CB-CG1 3.86Å; N11-I76 HydrophobicContact CB-CG2 3.79Å
12P93.4Very high92.1Very high74 Ų7461.9 Ų61.948%0.48131%0.314SS..Hα-helixtrans-65.1-23.8-17623.7-32.7000112.9R8 K16R8-P12 WeakPolarHBondContact O-CA 3.42Å; R8-P12 VanDerWaalsContact O-CB 3.28Å; R8-P12 WeakPolarHBondContact O-CB 3.33Å; R8-P12 WeakPolarHBondContact O-CD 3.42Å; R8-P12 VanDerWaalsContact O-N 3.16Å; P12-K16 WeakPolarHBondContact O-CB 3.35Å; P12-K16 PolarHBondContact O-N 2.96Å
13H93.1Very high92.8Very high164 Ų16461.1 Ų61.176%0.75931%0.314SS*.Hα-helixtrans-73.4-42.4-178.2-69.2-66.9000112.5N11N11-H13 PolarHBondContact O-N 2.83Å; N11-H13 PolarHBondContact OD1-N 3.23Å
14I93.2Very high93.1Very high21 Ų2162.9 Ų62.911%0.10832%0.324CS..Hα-helixtrans-84.6-28.7-178.4-59.6176.3000111.7N11 L60 S62 N64 A65 L68N11-I14 WeakPolarHBondContact ND2-CD1 3.32Å; N11-I14 PolarHBondContact O-N 3.17Å; N11-I14 PolarHBondContact OD1-N 3.12Å; N11-I14 VanDerWaalsContact OD1-N 3.12Å; I14-L60 HydrophobicContact CG2-CD1 4.38Å; I14-S62 WeakPolarHBondContact O-CB 3.45Å; I14-N64 HydrophobicContact CD1-CB 4.49Å; I14-N64 HydrophobicContact CG1-CB 4.34Å; I14-A65 HydrophobicContact CG2-CB 3.85Å; I14-L68 HydrophobicContact CD1-CD1 4.28Å; I14-L68 HydrophobicContact CD1-CD2 4.17Å; I14-L68 HydrophobicContact CD1-CG 4.38Å; I14-L68 HydrophobicContact CG2-CD1 3.61Å
15T93.5Very high93.2Very high1 Ų168.2 Ų68.21%0.00635%0.347CS..Hα-helixtrans-108.14.3-168.868.60000114.4L7 R8 N11 D17 A18 L60 I76L7-T15 HydrophobicContact CB-CG2 3.88Å; L7-T15 HydrophobicContact CD2-CG2 4.41Å; L7-T15 PolarHBondContact O-OG1 2.93Å; R8-T15 VanDerWaalsContact CA-OG1 3.23Å; R8-T15 WeakPolarHBondContact CA-OG1 3.44Å; R8-T15 PolarHBondContact N-OG1 3.39Å; N11-T15 WeakPolarHBondContact O-CB 3.34Å; N11-T15 WeakPolarHBondContact O-CG2 3.29Å; N11-T15 PolarHBondContact O-N 3.43Å; N11-T15 VanDerWaalsContact O-N 3.17Å; N11-T15 PolarHBondContact O-OG1 3.49Å; T15-D17 VanDerWaalsContact C-N 3.29Å; T15-D17 PolarHBondContact O-N 3.21Å; T15-A18 WeakPolarHBondContact O-CB 3.44Å; T15-A18 PolarHBondContact O-N 3.23Å; T15-L60 HydrophobicContact CG2-CD2 4.19Å; T15-I76 HydrophobicContact CG2-CG2 4.05Å
16K91.4Very high93.3Very high140 Ų14068 Ų6861%0.60935%0.346SS*.THydrogen-bonded Turntrans-45.1-53-177.1-171.2179.7175.4-174.40112.9R8 P12R8-K16 PolarHBondContact NE-O 3Å; P12-K16 WeakPolarHBondContact O-CB 3.35Å; P12-K16 PolarHBondContact O-N 2.96Å
17D93Very high93.4Very high100 Ų10073.3 Ų73.354%0.53538%0.38SS..THydrogen-bonded Turntrans-102.218.7-175.8-56.3-49.8000112.5T15 K19 V61T15-D17 VanDerWaalsContact C-N 3.29Å; T15-D17 PolarHBondContact O-N 3.21Å; D17-K19 PolarHBondContact O-N 3.25Å; D17-V61 HydrophobicContact CB-CB 4.21Å; D17-V61 HydrophobicContact CB-CG2 4.37Å; D17-V61 WeakPolarHBondContact O-CG2 3.33Å
18A93.8Very high93.2Very high5 Ų575.4 Ų75.44%0.04139%0.393CS..  trans-58.9138.8178.600000111.1L4 T15 Q59 L60L4-A18 HydrophobicContact CD2-CB 3.95Å; L4-A18 WeakPolarHBondContact CD2-O 3.11Å; T15-A18 WeakPolarHBondContact O-CB 3.44Å; T15-A18 PolarHBondContact O-N 3.23Å; A18-Q59 WeakPolarHBondContact CA-O 3.22Å; A18-L60 HydrophobicContact CB-CD2 3.7Å
19K94.2Very high92.8Very high115 Ų11574.8 Ų74.850%0.540%0.397SS..EExtended strand (participates in β ladder)trans-114.2142.5176.2-61.5179.5-177.7175.30109.4D17 Q21 I58 Q59D17-K19 PolarHBondContact O-N 3.25Å; K19-Q21 HydrophobicContact CB-CG 4.36Å; K19-I58 WeakPolarHBondContact O-CA 3.28Å; K19-Q59 HydrophobicContact CB-CB 4.37Å; K19-Q59 PolarHBondContact N-O 2.95Å; K19-Q59 PolarHBondContact O-N 2.88Å
20C93.1Very high92.3Very high22 Ų2274 Ų7415%0.14939%0.393CS..EExtended strand (participates in β ladder)trans-116.1120.6173.31800000108.1M1 L4 S56 D57 I58M1-C20 HydrophobicContact CE-CB 3.44Å; M1-C20 VanDerWaalsContact CE-CB 3.44Å; M1-C20 WeakPolarHBondContact CE-SG 3.39Å; M1-C20 HydrophobicContact SD-CB 3.93Å; L4-C20 HydrophobicContact CD1-CB 3.93Å; L4-C20 HydrophobicContact CD2-CB 3.88Å; L4-C20 HydrophobicContact CG-CB 3.77Å; C20-S56 WeakPolarHBondContact SG-CB 3.49Å; C20-D57 CarbonylContact C-O 3.6Å; C20-D57 WeakPolarHBondContact CA-O 3.38Å; C20-I58 HydrophobicContact CB-CD1 3.61Å; C20-I58 VanDerWaalsContact SG-CD1 3.52Å
21Q93.5Very high91.6Very high85 Ų8578.3 Ų78.340%0.39741%0.406SS..EExtended strand (participates in β ladder)trans-129.6167.6-170.6-53.8-173.248.700109.7K19 V23 D57 Q59K19-Q21 HydrophobicContact CB-CG 4.36Å; Q21-V23 PolarHBondContact O-N 3.26Å; Q21-V23 VanDerWaalsContact O-N 3.11Å; Q21-D57 PolarHBondContact N-O 3.2Å; Q21-D57 PolarHBondContact O-N 2.91Å; Q21-Q59 VanDerWaalsContact NE2-OE1 3.11Å
22N93Very high90.4Very high113 Ų11380.9 Ų80.960%0.60441%0.413SS*.EExtended strand (participates in β ladder)trans50.241.4175.6-57.3-30.1000113.6V24 D57N22-V24 PolarHBondContact O-N 2.93Å; N22-D57 WeakPolarHBondContact CB-OD2 3.32Å; N22-D57 PolarHBondContact ND2-OD2 3.29Å
23V92.9Very high89.1Confident55 Ų5587 Ų8733%0.33343%0.428SS..EExtended strand (participates in β ladder)trans-73.4118.1-177.8-171.10000109.5M1 Q21 F25 S55M1-V23 HydrophobicContact CE-CG2 3.73Å; Q21-V23 PolarHBondContact O-N 3.26Å; Q21-V23 VanDerWaalsContact O-N 3.11Å; V23-F25 HydrophobicContact CG1-CD2 4.21Å; V23-F25 HydrophobicContact CG1-CE1 4.21Å; V23-F25 HydrophobicContact CG1-CE2 3.49Å; V23-F25 VanDerWaalsContact CG1-CE2 3.49Å; V23-F25 HydrophobicContact CG1-CZ 3.49Å; V23-F25 VanDerWaalsContact CG1-CZ 3.49Å; V23-S55 CarbonylContact C-O 3.57Å; V23-S55 VanDerWaalsContact CA-O 3.31Å; V23-S55 WeakPolarHBondContact CA-O 3.17Å
24V94.1Very high87.4Confident76 Ų7684.4 Ų84.446%0.46142%0.416SS..EExtended strand (participates in β ladder)trans-117.1134.6174.7-177.50000108.7N22 A54 S55N22-V24 PolarHBondContact O-N 2.93Å; V24-A54 WeakPolarHBondContact O-CA 3.08Å; V24-S55 PolarHBondContact N-O 3.26Å; V24-S55 PolarHBondContact O-N 3.44Å
25F93.1Very high85.6Confident138 Ų13893 Ų9361%0.60545%0.453SS*.EExtended strand (participates in β ladder)trans-112.5121.9173.4-63.2-77.7000108.9V23 V52 Q53 A54V23-F25 HydrophobicContact CG1-CD2 4.21Å; V23-F25 HydrophobicContact CG1-CE1 4.21Å; V23-F25 HydrophobicContact CG1-CE2 3.49Å; V23-F25 VanDerWaalsContact CG1-CE2 3.49Å; V23-F25 HydrophobicContact CG1-CZ 3.49Å; V23-F25 VanDerWaalsContact CG1-CZ 3.49Å; F25-V52 HydrophobicContact CB-CG1 3.76Å; F25-V52 HydrophobicContact CD1-CG1 3.69Å; F25-V52 HydrophobicContact CG-CG1 4.18Å; F25-Q53 WeakPolarHBondContact CA-O 3.39Å; F25-A54 HydrophobicContact CD1-CB 3.76Å; F25-A54 HydrophobicContact CE1-CB 3.73Å
26T93.1Very high83.8Confident68 Ų68103.5 Ų103.542%0.41749%0.492SS..EExtended strand (participates in β ladder)trans-115.8122.7177.1-54.60000108.9V28 Q53T26-V28 PolarHBondContact O-N 2.71Å; T26-Q53 PolarHBondContact N-O 2.85Å; T26-Q53 PolarHBondContact O-N 3.11Å
27P92.2Very high81.8Confident112 Ų112103.6 Ų103.673%0.72750%0.495SS*.EExtended strand (participates in β ladder)trans-64.9134172.428.2-33.1000109.4
28V89.9Confident80Confident43 Ų43103.4 Ų103.426%0.26150%0.497SS..EExtended strand (participates in β ladder)trans-133.1153.9179.5-64.80000110.2T26 I30 G51 Q53T26-V28 PolarHBondContact O-N 2.71Å; V28-I30 HydrophobicContact CG2-CG1 4.26Å; V28-G51 PolarHBondContact N-O 2.98Å; V28-G51 PolarHBondContact O-N 2.87Å; V28-Q53 HydrophobicContact CG1-CB 3.8Å; V28-Q53 HydrophobicContact CG2-CB 4.23Å
29I87.5Confident78.2Confident105 Ų105106.1 Ų106.154%0.53851%0.511SS..EExtended strand (participates in β ladder)trans-97.4118.4168.8-59.2176.4000107.1F31I29-F31 HydrophobicContact CB-CE2 4.07Å; I29-F31 HydrophobicContact CB-CZ 4.24Å; I29-F31 HydrophobicContact CG2-CD1 4.46Å; I29-F31 HydrophobicContact CG2-CD2 4.24Å; I29-F31 HydrophobicContact CG2-CE1 3.97Å; I29-F31 HydrophobicContact CG2-CE2 3.72Å; I29-F31 HydrophobicContact CG2-CZ 3.58Å
30I81.4Confident76.7Confident53 Ų53108.1 Ų108.127%0.27253%0.533SS..EExtended strand (participates in β ladder)trans-92.2120.3175.4-57.3173.2000107.5V28 Y32 S48 T49V28-I30 HydrophobicContact CG2-CG1 4.26Å; I30-Y32 HydrophobicContact CG2-CE1 4.36Å; I30-S48 CarbonylContact O-C 3.56Å; I30-S48 VanDerWaalsContact O-CA 3.29Å; I30-S48 WeakPolarHBondContact O-CA 3.47Å; I30-T49 HydrophobicContact CB-CG2 3.93Å; I30-T49 HydrophobicContact CD1-CG2 4.37Å; I30-T49 PolarHBondContact N-O 2.84Å; I30-T49 PolarHBondContact O-N 3.4Å
31F78.6Confident75.3Confident113 Ų113112.1 Ų112.150%0.49656%0.557SS.*EExtended strand (participates in β ladder)trans-95.4119.8176.6-65.5-84.3000110.5I29 Y33I29-F31 HydrophobicContact CB-CE2 4.07Å; I29-F31 HydrophobicContact CB-CZ 4.24Å; I29-F31 HydrophobicContact CG2-CD1 4.46Å; I29-F31 HydrophobicContact CG2-CD2 4.24Å; I29-F31 HydrophobicContact CG2-CE1 3.97Å; I29-F31 HydrophobicContact CG2-CE2 3.72Å; I29-F31 HydrophobicContact CG2-CZ 3.58Å; F31-Y33 HydrophobicContact CB-CE2 4.26Å
32Y71.5Confident73.5Confident95 Ų95110.4 Ų110.437%0.37356%0.562SS.*EExtended strand (participates in β ladder)trans-90.1102.2167-56.1-78.3000108.8I30 Q34 N47 T49I30-Y32 HydrophobicContact CG2-CE1 4.36Å; Y32-Q34 PolarHBondContact O-N 2.88Å; Y32-N47 WeakPolarHBondContact CA-O 3.48Å; Y32-N47 WeakPolarHBondContact CB-O 3.23Å; Y32-N47 HydrophobicContact CD2-CB 4.42Å; Y32-N47 WeakPolarHBondContact CD2-O 3.44Å; Y32-N47 PolarHBondContact N-O 3.3Å; Y32-N47 PolarHBondContact O-N 3.33Å; Y32-T49 HydrophobicContact CE2-CG2 3.44Å; Y32-T49 VanDerWaalsContact CE2-CG2 3.44Å; Y32-T49 WeakPolarHBondContact OH-CG2 3.21Å
33Y65.1Low71.9Confident204 Ų204110.2 Ų110.280%0.856%0.561SS**  trans-73.382.9166-58.6-73.2000108.6F31 K35F31-Y33 HydrophobicContact CB-CE2 4.26Å; Y33-K35 PolarHBondContact O-N 2.64Å
34Q56.9Low70.2Confident108 Ų108112 Ų11251%0.50558%0.576SS.*  trans-61.6133.8162.4-65.9-167.8-1.100107.1Y32 R36 N47Y32-Q34 PolarHBondContact O-N 2.88Å; Q34-R36 PolarHBondContact O-N 3.25Å; Q34-N47 PolarHBondContact NE2-ND2 2.86Å
35K56.6Low68.4Low202 Ų202111.9 Ų111.988%0.87858%0.579SS**SBendtrans-45.7111.6174.6-72.3-179177.9177.90107.9Y33 Q37Y33-K35 PolarHBondContact O-N 2.64Å; K35-Q37 PolarHBondContact O-N 3.07Å
36R54.4Low67.1Low221 Ų221107.5 Ų107.583%0.83457%0.572SS**  trans-9.484.2-179-62.2177.2-177134.3-0.2113Q34 V38Q34-R36 PolarHBondContact O-N 3.25Å; R36-V38 VanDerWaalsContact C-N 3.31Å; R36-V38 PolarHBondContact O-N 3.3Å
37Q50.6Low66.3Low143 Ų143107.6 Ų107.667%0.66857%0.57SS**  trans-77.8100.7153.9-82.6-168.85.700104.2K35 D39K35-Q37 PolarHBondContact O-N 3.07Å; Q37-D39 PolarHBondContact O-N 2.85Å
38V55.3Low65.7Low96 Ų96105.7 Ų105.758%0.58256%0.56SS**BIsolated β-bridgetrans-72.1106.9162.7-175.90000103.6R36R36-V38 VanDerWaalsContact C-N 3.31Å; R36-V38 PolarHBondContact O-N 3.3Å
39D55.6Low65.5Low62 Ų62106.5 Ų106.533%0.33256%0.564SS.*  trans-6216416773.414.6000109.2Q37 T41 G42 N43Q37-D39 PolarHBondContact O-N 2.85Å; D39-T41 PolarHBondContact O-N 3.12Å; D39-T41 VanDerWaalsContact OD1-C 3.28Å; D39-T41 VanDerWaalsContact OD1-CA 3.27Å; D39-T41 WeakPolarHBondContact OD1-CA 3.25Å; D39-T41 WeakPolarHBondContact OD1-CB 3.43Å; D39-T41 PolarHBondContact OD1-N 3.44Å; D39-T41 PolarHBondContact OD1-OG1 3.25Å; D39-T41 PolarHBondContact OD2-OG1 2.98Å; D39-T41 VanDerWaalsContact OD2-OG1 3.08Å; D39-G42 PolarHBondContact O-N 3.42Å; D39-G42 PolarHBondContact OD1-N 3.24Å; D39-N43 PolarHBondContact OD1-N 3.04Å; D39-N43 VanDerWaalsContact OD1-N 3.13Å
40T61.6Low65.3Low157 Ų157110 Ų11096%0.96358%0.578SS**THydrogen-bonded Turntrans-58.6-11.7179.938.20000113.9
41T64Low65.6Low105 Ų105108.2 Ų108.264%0.64457%0.573SS**THydrogen-bonded Turntrans-96.83.2175.841.70000114.3D39 N43D39-T41 PolarHBondContact O-N 3.12Å; D39-T41 VanDerWaalsContact OD1-C 3.28Å; D39-T41 VanDerWaalsContact OD1-CA 3.27Å; D39-T41 WeakPolarHBondContact OD1-CA 3.25Å; D39-T41 WeakPolarHBondContact OD1-CB 3.43Å; D39-T41 PolarHBondContact OD1-N 3.44Å; D39-T41 PolarHBondContact OD1-OG1 3.25Å; D39-T41 PolarHBondContact OD2-OG1 2.98Å; D39-T41 VanDerWaalsContact OD2-OG1 3.08Å; T41-N43 PolarHBondContact O-N 2.98Å
42G55.5Low66Low50 Ų50107.5 Ų107.552%0.51558%0.578SS.*  trans77.25175.800000114.3D39D39-G42 PolarHBondContact O-N 3.42Å; D39-G42 PolarHBondContact OD1-N 3.24Å
43N59.3Low66.9Low109 Ų109108.8 Ų108.858%0.58359%0.587SS**  trans-86.5121.7179.2-80.26.6000109.3D39 T41 S45D39-N43 PolarHBondContact OD1-N 3.04Å; D39-N43 VanDerWaalsContact OD1-N 3.13Å; T41-N43 PolarHBondContact O-N 2.98Å; N43-S45 PolarHBondContact O-N 3.3Å
44S57.3Low68.1Low91 Ų91102.1 Ų102.164%0.63658%0.575SS**BIsolated β-bridgetrans-7294.7164.1-71.80000108G46S44-G46 PolarHBondContact O-N 2.87Å; S44-G46 VanDerWaalsContact O-N 3.08Å
45S57.9Low69.7Low75 Ų7599.9 Ų99.952%0.52457%0.571SS.*  trans-73.797.1166.758.20000108.1N43 N47N43-S45 PolarHBondContact O-N 3.3Å; S45-N47 PolarHBondContact O-N 3.47Å
46G64.1Low71.4Confident45 Ų4592.2 Ų92.246%0.46454%0.543SS..  trans-67.3120.1160.100000107.5S44 S48S44-G46 PolarHBondContact O-N 2.87Å; S44-G46 VanDerWaalsContact O-N 3.08Å; G46-S48 PolarHBondContact O-N 3.48Å
47N77.2Confident73.3Confident70 Ų7085.8 Ų85.837%0.37453%0.525SS..EExtended strand (participates in β ladder)trans-71.5117.6172-74.1-13.8000107.4Y32 Q34 S45Y32-N47 WeakPolarHBondContact CA-O 3.48Å; Y32-N47 WeakPolarHBondContact CB-O 3.23Å; Y32-N47 HydrophobicContact CD2-CB 4.42Å; Y32-N47 WeakPolarHBondContact CD2-O 3.44Å; Y32-N47 PolarHBondContact N-O 3.3Å; Y32-N47 PolarHBondContact O-N 3.33Å; Q34-N47 PolarHBondContact NE2-ND2 2.86Å; S45-N47 PolarHBondContact O-N 3.47Å
48S79.9Confident75.4Confident73 Ų7381.1 Ų81.151%0.5150%0.504SS..EExtended strand (participates in β ladder)trans-107.7139.9172.563.40000110.3I30 G46I30-S48 CarbonylContact O-C 3.56Å; I30-S48 VanDerWaalsContact O-CA 3.29Å; I30-S48 WeakPolarHBondContact O-CA 3.47Å; G46-S48 PolarHBondContact O-N 3.48Å
49T84.8Confident77.2Confident59 Ų5981.2 Ų81.236%0.36250%0.498SS..EExtended strand (participates in β ladder)trans-119.3155.1165.9-165.60000110.7I30 Y32I30-T49 HydrophobicContact CB-CG2 3.93Å; I30-T49 HydrophobicContact CD1-CG2 4.37Å; I30-T49 PolarHBondContact N-O 2.84Å; I30-T49 PolarHBondContact O-N 3.4Å; Y32-T49 HydrophobicContact CE2-CG2 3.44Å; Y32-T49 VanDerWaalsContact CE2-CG2 3.44Å; Y32-T49 WeakPolarHBondContact OH-CG2 3.21Å
50Q84.6Confident79Confident178 Ų17880 Ų8083%0.83249%0.492SS*.EExtended strand (participates in β ladder)trans-76.2134.4167.3-67.8179.8-20.300108.8
51G86Confident80.4Confident16 Ų1676.4 Ų76.417%0.16547%0.469CS..EExtended strand (participates in β ladder)trans-134.3175.3174.800000111V28V28-G51 PolarHBondContact N-O 2.98Å; V28-G51 PolarHBondContact O-N 2.87Å
52V88.4Confident81.7Confident98 Ų9872.9 Ų72.959%0.59445%0.449SS*.EExtended strand (participates in β ladder)trans-126120.2173179.10000107.6F25F25-V52 HydrophobicContact CB-CG1 3.76Å; F25-V52 HydrophobicContact CD1-CG1 3.69Å; F25-V52 HydrophobicContact CG-CG1 4.18Å
53Q89.6Confident83.2Confident122 Ų12275.5 Ų75.557%0.5746%0.457SS*.EExtended strand (participates in β ladder)trans-81.9125.5165.9-178.5174.2-17.100107.9F25 T26 V28F25-Q53 WeakPolarHBondContact CA-O 3.39Å; T26-Q53 PolarHBondContact N-O 2.85Å; T26-Q53 PolarHBondContact O-N 3.11Å; V28-Q53 HydrophobicContact CG1-CB 3.8Å; V28-Q53 HydrophobicContact CG2-CB 4.23Å
54A89.5Confident84.5Confident64 Ų6475 Ų7553%0.52945%0.454SS..EExtended strand (participates in β ladder)trans-109.8127.8174.700000109.2V24 F25V24-A54 WeakPolarHBondContact O-CA 3.08Å; F25-A54 HydrophobicContact CD1-CB 3.76Å; F25-A54 HydrophobicContact CE1-CB 3.73Å
55S92.2Very high85.9Confident61 Ų6171.5 Ų71.543%0.42743%0.43SS..EExtended strand (participates in β ladder)trans-114.2143.4167.663.60000109.3V23 V24V23-S55 CarbonylContact C-O 3.57Å; V23-S55 VanDerWaalsContact CA-O 3.31Å; V23-S55 WeakPolarHBondContact CA-O 3.17Å; V24-S55 PolarHBondContact N-O 3.26Å; V24-S55 PolarHBondContact O-N 3.44Å
56S91.9Very high87.3Confident41 Ų4174 Ų7429%0.28744%0.442SS..EExtended strand (participates in β ladder)trans-157.9149.9177.963.40000111.1C20C20-S56 WeakPolarHBondContact SG-CB 3.49Å
57D94.2Very high88.3Confident87 Ų8779.6 Ų79.647%0.46546%0.457SS..EExtended strand (participates in β ladder)trans-89127.2170.8-61.2-29.6000109.7C20 Q21 N22C20-D57 CarbonylContact C-O 3.6Å; C20-D57 WeakPolarHBondContact CA-O 3.38Å; Q21-D57 PolarHBondContact N-O 3.2Å; Q21-D57 PolarHBondContact O-N 2.91Å; N22-D57 WeakPolarHBondContact CB-OD2 3.32Å; N22-D57 PolarHBondContact ND2-OD2 3.29Å
58I93.7Very high88.9Confident45 Ų4578 Ų7823%0.23145%0.448CS..EExtended strand (participates in β ladder)trans-105.8116.4175.9-56.2-58.9000108.9V3 L7 K19 C20 L60 F73V3-I58 HydrophobicContact CG1-CD1 3.75Å; V3-I58 HydrophobicContact CG1-CG1 4.28Å; L7-I58 HydrophobicContact CD1-CD1 4.45Å; L7-I58 HydrophobicContact CD1-CG1 4.47Å; L7-I58 HydrophobicContact CD1-CG2 3.68Å; K19-I58 WeakPolarHBondContact O-CA 3.28Å; C20-I58 HydrophobicContact CB-CD1 3.61Å; C20-I58 VanDerWaalsContact SG-CD1 3.52Å; I58-L60 HydrophobicContact CG2-CD2 4.06Å; I58-L60 HydrophobicContact CG2-CG 4.47Å; I58-F73 HydrophobicContact CB-CE2 4.47Å; I58-F73 HydrophobicContact CB-CZ 4.06Å; I58-F73 HydrophobicContact CG1-CZ 4.14Å; I58-F73 HydrophobicContact CG2-CE2 4Å; I58-F73 HydrophobicContact CG2-CZ 3.96Å
59Q93.3Very high89.4Confident97 Ų9778.1 Ų78.145%0.45344%0.443SS..EExtended strand (participates in β ladder)trans-99.8118173.4-173.517933.100109.6A18 K19 Q21A18-Q59 WeakPolarHBondContact CA-O 3.22Å; K19-Q59 HydrophobicContact CB-CB 4.37Å; K19-Q59 PolarHBondContact N-O 2.95Å; K19-Q59 PolarHBondContact O-N 2.88Å; Q21-Q59 VanDerWaalsContact NE2-OE1 3.11Å
60L93.3Very high89.7Confident38 Ų3879.1 Ų79.120%0.19944%0.444CS..  trans-94.2134170.7-58.5-178.8000109.7I14 T15 A18 I58 A65 L68 F73I14-L60 HydrophobicContact CG2-CD1 4.38Å; T15-L60 HydrophobicContact CG2-CD2 4.19Å; A18-L60 HydrophobicContact CB-CD2 3.7Å; I58-L60 HydrophobicContact CG2-CD2 4.06Å; I58-L60 HydrophobicContact CG2-CG 4.47Å; L60-A65 HydrophobicContact CB-CB 3.42Å; L60-A65 VanDerWaalsContact CB-CB 3.42Å; L60-A65 HydrophobicContact CD1-CB 3.82Å; L60-A65 HydrophobicContact CG-CB 4.28Å; L60-L68 HydrophobicContact CD1-CD1 3.68Å; L60-F73 HydrophobicContact CD1-CD2 4.04Å; L60-F73 HydrophobicContact CD1-CE2 4.12Å; L60-F73 HydrophobicContact CD2-CE2 4.49Å; L60-F73 HydrophobicContact CG-CE2 4.5Å
61V91.5Very high90Very high81 Ų8175 Ų7549%0.49143%0.431SS..  trans-102-16.2-174.8-175.40000112.1D17D17-V61 HydrophobicContact CB-CB 4.21Å; D17-V61 HydrophobicContact CB-CG2 4.37Å; D17-V61 WeakPolarHBondContact O-CG2 3.33Å
62S91Very high90.4Very high30 Ų3078.2 Ų78.221%0.2144%0.441CS..SBendtrans-68.7139.1-176.9-177.20000111.6I14 N64 A65I14-S62 WeakPolarHBondContact O-CB 3.45Å; S62-N64 PolarHBondContact O-N 3.32Å; S62-N64 PolarHBondContact OG-N 3.39Å; S62-A65 WeakPolarHBondContact O-CB 3.16Å; S62-A65 PolarHBondContact O-N 3.08Å
63P86.6Confident90.6Very high105 Ų10575 Ų7568%0.68242%0.419SS*.G310 helixtrans-54.8-35.6173.1-25.834.5000113.1A65 T66P63-A65 PolarHBondContact O-N 3.35Å; P63-T66 PolarHBondContact O-N 2.84Å; P63-T66 PolarHBondContact O-OG1 2.94Å
64N86.6Confident90.7Very high100 Ų10071.1 Ų71.154%0.53540%0.403SS..G310 helixtrans-73.6-8.1179.5-59.8-2.9000112.6I14 S62 T66I14-N64 HydrophobicContact CD1-CB 4.49Å; I14-N64 HydrophobicContact CG1-CB 4.34Å; S62-N64 PolarHBondContact O-N 3.32Å; S62-N64 PolarHBondContact OG-N 3.39Å; N64-T66 VanDerWaalsContact C-N 3.29Å
65A87.6Confident90.9Very high16 Ų1672.5 Ų72.513%0.13240%0.401CS..G310 helixtrans-73.7-21.9178.600000112.7I14 L60 S62 P63 E67 L68I14-A65 HydrophobicContact CG2-CB 3.85Å; L60-A65 HydrophobicContact CB-CB 3.42Å; L60-A65 VanDerWaalsContact CB-CB 3.42Å; L60-A65 HydrophobicContact CD1-CB 3.82Å; L60-A65 HydrophobicContact CG-CB 4.28Å; S62-A65 WeakPolarHBondContact O-CB 3.16Å; S62-A65 PolarHBondContact O-N 3.08Å; P63-A65 PolarHBondContact O-N 3.35Å; A65-E67 PolarHBondContact O-N 2.83Å; A65-L68 HydrophobicContact CB-CD1 4.49Å; A65-L68 WeakPolarHBondContact O-CB 3.31Å; A65-L68 PolarHBondContact O-N 3.09Å
66T86.2Confident90.9Very high127 Ų12770.3 Ų70.378%0.77939%0.385SS*.G310 helixtrans-68.7-19.7178.154.50000113P63 N64P63-T66 PolarHBondContact O-N 2.84Å; P63-T66 PolarHBondContact O-OG1 2.94Å; N64-T66 VanDerWaalsContact C-N 3.29Å
67E86.5Confident91Very high163 Ų16368.9 Ų68.976%0.76237%0.374SS*.G310 helixtrans-90.4-10.3177.7-61.4-177.7169.900112.5A65 N69A65-E67 PolarHBondContact O-N 2.83Å; E67-N69 PolarHBondContact O-N 3.5Å
68L90.1Very high90.8Very high36 Ų3668 Ų6819%0.18837%0.371CS..  trans-71.1125-179.8-74.4176.3000110.7I14 L60 A65 E72 I76I14-L68 HydrophobicContact CD1-CD1 4.28Å; I14-L68 HydrophobicContact CD1-CD2 4.17Å; I14-L68 HydrophobicContact CD1-CG 4.38Å; I14-L68 HydrophobicContact CG2-CD1 3.61Å; L60-L68 HydrophobicContact CD1-CD1 3.68Å; A65-L68 HydrophobicContact CB-CD1 4.49Å; A65-L68 WeakPolarHBondContact O-CB 3.31Å; A65-L68 PolarHBondContact O-N 3.09Å; L68-E72 WeakPolarHBondContact CA-OE2 3.48Å; L68-E72 HydrophobicContact CD2-CB 3.71Å; L68-I76 HydrophobicContact CD1-CD1 4.03Å; L68-I76 HydrophobicContact CD2-CD1 3.92Å
69N90.6Very high90.6Very high77 Ų7769 Ų6941%0.41238%0.379SS..  trans-87.8169.51656758.6000111.6E67 T71 E72 F73E67-N69 PolarHBondContact O-N 3.5Å; N69-T71 PolarHBondContact O-N 3.22Å; N69-T71 WeakPolarHBondContact OD1-CA 3.32Å; N69-T71 VanDerWaalsContact OD1-CB 3.3Å; N69-T71 WeakPolarHBondContact OD1-CB 3.47Å; N69-T71 PolarHBondContact OD1-N 3.29Å; N69-E72 PolarHBondContact N-OE2 3.2Å; N69-E72 VanDerWaalsContact ND2-CD 3.3Å; N69-E72 PolarHBondContact ND2-OE2 3.38Å; N69-E72 PolarHBondContact O-N 2.84Å; N69-E72 PolarHBondContact OD1-N 3.44Å; N69-F73 PolarHBondContact O-N 3.42Å
70E90.4Very high90.6Very high80 Ų8064.3 Ų64.337%0.37436%0.358SS..Hα-helixtrans-58.7-34.2-179.1-66.4175.4176.500113.2N74 N98 A99E70-N74 WeakPolarHBondContact O-CB 3.39Å; E70-N74 PolarHBondContact O-N 2.83Å; E70-N74 PolarHBondContact O-ND2 2.87Å; E70-N98 WeakPolarHBondContact OE1-CA 3.27Å; E70-A99 HydrophobicContact CG-CB 3.99Å; E70-A99 PolarHBondContact OE1-N 2.92Å
71T91.7Very high90.4Very high92 Ų9264.9 Ų64.956%0.56436%0.357SS*.Hα-helixtrans-69.6-43.4179.6-58.60000110.7N69 N74 N75N69-T71 PolarHBondContact O-N 3.22Å; N69-T71 WeakPolarHBondContact OD1-CA 3.32Å; N69-T71 VanDerWaalsContact OD1-CB 3.3Å; N69-T71 WeakPolarHBondContact OD1-CB 3.47Å; N69-T71 PolarHBondContact OD1-N 3.29Å; T71-N74 PolarHBondContact O-N 3.34Å; T71-N75 WeakPolarHBondContact O-CB 3.27Å; T71-N75 PolarHBondContact O-N 3.41Å; T71-N75 PolarHBondContact O-ND2 2.92Å
72E92.5Very high90.2Very high83 Ų8366.8 Ų66.839%0.38837%0.365SS..Hα-helixtrans-65.4-42.6176.6-67.5170.1142.100111.5L68 N69 N74 N75 I76L68-E72 WeakPolarHBondContact CA-OE2 3.48Å; L68-E72 HydrophobicContact CD2-CB 3.71Å; N69-E72 PolarHBondContact N-OE2 3.2Å; N69-E72 VanDerWaalsContact ND2-CD 3.3Å; N69-E72 PolarHBondContact ND2-OE2 3.38Å; N69-E72 PolarHBondContact O-N 2.84Å; N69-E72 PolarHBondContact OD1-N 3.44Å; E72-N74 PolarHBondContact O-N 2.93Å; E72-N75 PolarHBondContact O-N 3.19Å; E72-I76 VanDerWaalsContact O-CG1 3.29Å; E72-I76 WeakPolarHBondContact O-CG1 3.34Å; E72-I76 PolarHBondContact O-N 2.92Å
73F93.1Very high90Very high30 Ų3070.5 Ų70.513%0.13238%0.379CS..Hα-helixtrans-59.5-46.9174.7-178.2-90.7000111.7L7 I58 L60 N69 N75 I76 L77 T97L7-F73 HydrophobicContact CD1-CE2 4.36Å; L7-F73 HydrophobicContact CD1-CZ 4.18Å; L7-F73 HydrophobicContact CD2-CD2 4.45Å; L7-F73 HydrophobicContact CD2-CE1 4.48Å; L7-F73 HydrophobicContact CD2-CE2 3.77Å; L7-F73 HydrophobicContact CD2-CZ 3.78Å; I58-F73 HydrophobicContact CB-CE2 4.47Å; I58-F73 HydrophobicContact CB-CZ 4.06Å; I58-F73 HydrophobicContact CG1-CZ 4.14Å; I58-F73 HydrophobicContact CG2-CE2 4Å; I58-F73 HydrophobicContact CG2-CZ 3.96Å; L60-F73 HydrophobicContact CD1-CD2 4.04Å; L60-F73 HydrophobicContact CD1-CE2 4.12Å; L60-F73 HydrophobicContact CD2-CE2 4.49Å; L60-F73 HydrophobicContact CG-CE2 4.5Å; N69-F73 PolarHBondContact O-N 3.42Å; F73-N75 VanDerWaalsContact C-N 3.33Å; F73-N75 PolarHBondContact O-N 3.34Å; F73-I76 WeakPolarHBondContact O-CB 3.37Å; F73-I76 PolarHBondContact O-N 3.07Å; F73-L77 PolarHBondContact O-N 3.41Å; F73-T97 HydrophobicContact CD1-CG2 3.74Å; F73-T97 HydrophobicContact CE1-CG2 3.69Å
74N92.1Very high89.8Confident40 Ų4066.3 Ų66.321%0.21435%0.353CS..Hα-helixtrans-60.4-42.5175.8-82-42.1000112.3E70 T71 E72 I76 L77 V78 T97E70-N74 WeakPolarHBondContact O-CB 3.39Å; E70-N74 PolarHBondContact O-N 2.83Å; E70-N74 PolarHBondContact O-ND2 2.87Å; T71-N74 PolarHBondContact O-N 3.34Å; E72-N74 PolarHBondContact O-N 2.93Å; N74-I76 PolarHBondContact O-N 2.86Å; N74-L77 PolarHBondContact O-N 2.85Å; N74-V78 WeakPolarHBondContact O-CB 3.42Å; N74-V78 WeakPolarHBondContact O-CG2 3.23Å; N74-V78 PolarHBondContact O-N 3.23Å; N74-T97 VanDerWaalsContact CG-OG1 3.26Å; N74-T97 PolarHBondContact ND2-OG1 3.08Å; N74-T97 WeakPolarHBondContact OD1-CG2 3.43Å; N74-T97 PolarHBondContact OD1-OG1 2.91Å; N74-T97 VanDerWaalsContact OD1-OG1 3.12Å
75N93Very high88.8Confident94 Ų9469.4 Ų69.450%0.50337%0.369SS..Hα-helixtrans-61.3-44.7176.5-73.8-25.8000111.3T71 E72 F73 L77 V78 T79T71-N75 WeakPolarHBondContact O-CB 3.27Å; T71-N75 PolarHBondContact O-N 3.41Å; T71-N75 PolarHBondContact O-ND2 2.92Å; E72-N75 PolarHBondContact O-N 3.19Å; F73-N75 VanDerWaalsContact C-N 3.33Å; F73-N75 PolarHBondContact O-N 3.34Å; N75-L77 VanDerWaalsContact C-N 3.33Å; N75-L77 PolarHBondContact O-N 3.25Å; N75-V78 PolarHBondContact O-N 3.44Å; N75-T79 WeakPolarHBondContact O-CB 3.46Å; N75-T79 PolarHBondContact O-N 2.84Å; N75-T79 PolarHBondContact O-OG1 2.6Å
76I93.9Very high87.5Confident15 Ų1570.4 Ų70.48%0.07738%0.375CS..Hα-helixtrans-56.8-49174.8-68.6167.8000110.3L7 G10 N11 T15 L68 E72 F73 N74 G80L7-I76 HydrophobicContact CD2-CG2 3.99Å; G10-I76 WeakPolarHBondContact CA-O 3.49Å; N11-I76 HydrophobicContact CB-CB 4.46Å; N11-I76 HydrophobicContact CB-CD1 3.91Å; N11-I76 HydrophobicContact CB-CG1 3.86Å; N11-I76 HydrophobicContact CB-CG2 3.79Å; T15-I76 HydrophobicContact CG2-CG2 4.05Å; L68-I76 HydrophobicContact CD1-CD1 4.03Å; L68-I76 HydrophobicContact CD2-CD1 3.92Å; E72-I76 VanDerWaalsContact O-CG1 3.29Å; E72-I76 WeakPolarHBondContact O-CG1 3.34Å; E72-I76 PolarHBondContact O-N 2.92Å; F73-I76 WeakPolarHBondContact O-CB 3.37Å; F73-I76 PolarHBondContact O-N 3.07Å; N74-I76 PolarHBondContact O-N 2.86Å; I76-G80 PolarHBondContact O-N 2.84Å
77L92.4Very high86.3Confident11 Ų1170.3 Ų70.36%0.05838%0.38CS..Hα-helixtrans-61.9-50-179179.860.3000112.1V3 L7 F73 N74 N75 G80 Y81 V95V3-L77 HydrophobicContact CG1-CD1 4.01Å; L7-L77 HydrophobicContact CD2-CB 4.11Å; L7-L77 HydrophobicContact CD2-CD1 4.25Å; L7-L77 HydrophobicContact CG-CD1 4.21Å; F73-L77 PolarHBondContact O-N 3.41Å; N74-L77 PolarHBondContact O-N 2.85Å; N75-L77 VanDerWaalsContact C-N 3.33Å; N75-L77 PolarHBondContact O-N 3.25Å; L77-G80 PolarHBondContact O-N 3.46Å; L77-Y81 VanDerWaalsContact O-CB 3.27Å; L77-Y81 WeakPolarHBondContact O-CB 3.43Å; L77-Y81 PolarHBondContact O-N 3.28Å; L77-V95 HydrophobicContact CD2-CG1 3.74Å
78V89.8Confident85.2Confident68 Ų6864.3 Ų64.341%0.41236%0.356SS..Hα-helixtrans-66.2-44.7-178.6172.10000111.2N74 N75 G80 Y81 N82N74-V78 WeakPolarHBondContact O-CB 3.42Å; N74-V78 WeakPolarHBondContact O-CG2 3.23Å; N74-V78 PolarHBondContact O-N 3.23Å; N75-V78 PolarHBondContact O-N 3.44Å; V78-G80 VanDerWaalsContact C-N 3.33Å; V78-G80 PolarHBondContact O-N 3.44Å; V78-Y81 PolarHBondContact O-N 2.66Å; V78-N82 WeakPolarHBondContact O-CB 3.14Å; V78-N82 VanDerWaalsContact O-CG 3.29Å; V78-N82 PolarHBondContact O-N 3.25Å; V78-N82 PolarHBondContact O-ND2 3.04Å
79T91.4Very high84.1Confident65 Ų6571.9 Ų71.940%0.39939%0.39SS..Hα-helixtrans-57.6-48176.9-69.70000110.7N75 N82 Q83N75-T79 WeakPolarHBondContact O-CB 3.46Å; N75-T79 PolarHBondContact O-N 2.84Å; N75-T79 PolarHBondContact O-OG1 2.6Å; T79-N82 PolarHBondContact O-N 2.9Å; T79-Q83 VanDerWaalsContact CG2-NE2 3.34Å; T79-Q83 WeakPolarHBondContact O-CG 3.42Å; T79-Q83 PolarHBondContact O-N 3.08Å
80G92Very high83.3Confident0 Ų072.8 Ų72.80%039%0.394CS..Hα-helixtrans-75.8-26.7-179.900000114.5S6 I76 L77 V78 Q83 A84S6-G80 VanDerWaalsContact O-CA 3.23Å; S6-G80 WeakPolarHBondContact O-CA 3.36Å; I76-G80 PolarHBondContact O-N 2.84Å; L77-G80 PolarHBondContact O-N 3.46Å; V78-G80 VanDerWaalsContact C-N 3.33Å; V78-G80 PolarHBondContact O-N 3.44Å; G80-Q83 PolarHBondContact O-N 3.01Å; G80-A84 WeakPolarHBondContact O-CB 3.45Å; G80-A84 PolarHBondContact O-N 3.08Å
81Y89Confident82.6Confident50 Ų5075.3 Ų75.320%0.19641%0.406CS..Hα-helixtrans-63.5-43.7168.2174.9-96000111.6S6 L77 V78 Q83 A84 I90 Q91 L92S6-Y81 WeakPolarHBondContact OG-CA 3.43Å; L77-Y81 VanDerWaalsContact O-CB 3.27Å; L77-Y81 WeakPolarHBondContact O-CB 3.43Å; L77-Y81 PolarHBondContact O-N 3.28Å; V78-Y81 PolarHBondContact O-N 2.66Å; Y81-Q83 VanDerWaalsContact C-N 3.29Å; Y81-Q83 PolarHBondContact O-N 3.47Å; Y81-A84 WeakPolarHBondContact O-CB 3.48Å; Y81-A84 PolarHBondContact O-N 2.77Å; Y81-I90 PolarHBondContact OH-O 3.41Å; Y81-Q91 WeakPolarHBondContact OH-CA 3.44Å; Y81-L92 HydrophobicContact CD1-CD1 4.37Å; Y81-L92 HydrophobicContact CD2-CD1 3.37Å; Y81-L92 HydrophobicContact CD2-CG 3.9Å; Y81-L92 HydrophobicContact CE2-CB 4.36Å; Y81-L92 HydrophobicContact CE2-CD1 3.61Å; Y81-L92 HydrophobicContact CE2-CG 3.56Å; Y81-L92 HydrophobicContact CG-CD1 3.78Å; Y81-L92 PolarHBondContact OH-N 3.05Å
82N87.5Confident82Confident120 Ų12074.4 Ų74.464%0.64240%0.397SS*.Hα-helixtrans-67.8-28.2176.3-69.4-24.1000113V78 T79V78-N82 WeakPolarHBondContact O-CB 3.14Å; V78-N82 VanDerWaalsContact O-CG 3.29Å; V78-N82 PolarHBondContact O-N 3.25Å; V78-N82 PolarHBondContact O-ND2 3.04Å; T79-N82 PolarHBondContact O-N 2.9Å
83Q87.6Confident81.3Confident108 Ų10875.6 Ų75.651%0.50540%0.402SS..Hα-helixtrans-80.3-27.5173.2-71.8179.436.600113.3L9 T79 G80 Y81 N85L9-Q83 HydrophobicContact CB-CB 4.32Å; L9-Q83 HydrophobicContact CD1-CB 4.39Å; L9-Q83 PolarHBondContact O-OE1 2.92Å; T79-Q83 VanDerWaalsContact CG2-NE2 3.34Å; T79-Q83 WeakPolarHBondContact O-CG 3.42Å; T79-Q83 PolarHBondContact O-N 3.08Å; G80-Q83 PolarHBondContact O-N 3.01Å; Y81-Q83 VanDerWaalsContact C-N 3.29Å; Y81-Q83 PolarHBondContact O-N 3.47Å; Q83-N85 VanDerWaalsContact C-N 3.35Å; Q83-N85 PolarHBondContact O-N 3.35Å
84A82.8Confident80.8Confident17 Ų1781.3 Ų81.314%0.1443%0.433CS..SBendtrans-63.1102.9173.700000106.6L9 G80 Y81 S86L9-A84 HydrophobicContact CD1-CB 3.88Å; G80-A84 WeakPolarHBondContact O-CB 3.45Å; G80-A84 PolarHBondContact O-N 3.08Å; Y81-A84 WeakPolarHBondContact O-CB 3.48Å; Y81-A84 PolarHBondContact O-N 2.77Å; A84-S86 PolarHBondContact O-N 2.9Å
85N65.3Low80.4Confident165 Ų16582.2 Ų82.288%0.88244%0.44SS*.  trans-68.668.4172-17010.2000108.4Q83 S87Q83-N85 VanDerWaalsContact C-N 3.35Å; Q83-N85 PolarHBondContact O-N 3.35Å; N85-S87 PolarHBondContact O-N 2.87Å
86S59.2Low80.2Confident37 Ų3785.5 Ų85.526%0.25945%0.453SS..  trans-84.3103.9-175.8156.80000105.8A84 S88A84-S86 PolarHBondContact O-N 2.9Å; S86-S88 PolarHBondContact O-N 3.21Å; S86-S88 VanDerWaalsContact O-N 3.08Å; S86-S88 WeakPolarHBondContact OG-CA 3.29Å; S86-S88 WeakPolarHBondContact OG-CB 3.39Å; S86-S88 PolarHBondContact OG-N 2.82Å; S86-S88 PolarHBondContact OG-O 3.2Å; S86-S88 PolarHBondContact OG-OG 3.04Å
87S61.3Low79.9Confident125 Ų12586 Ų8687%0.87446%0.456SS*.  trans-60.1-1.7156.555.40000112.9N85N85-S87 PolarHBondContact O-N 2.87Å
88S63Low79.7Confident37 Ų3792 Ų9226%0.25949%0.489SS..SBendtrans-70.9135.3176.490.50000110.5S86 I90S86-S88 PolarHBondContact O-N 3.21Å; S86-S88 VanDerWaalsContact O-N 3.08Å; S86-S88 WeakPolarHBondContact OG-CA 3.29Å; S86-S88 WeakPolarHBondContact OG-CB 3.39Å; S86-S88 PolarHBondContact OG-N 2.82Å; S86-S88 PolarHBondContact OG-O 3.2Å; S86-S88 PolarHBondContact OG-OG 3.04Å; S88-I90 PolarHBondContact O-N 3.35Å; S88-I90 WeakPolarHBondContact OG-CB 3.44Å; S88-I90 PolarHBondContact OG-N 3.13Å
89E68.3Low79.4Confident195 Ų19592.4 Ų92.491%0.91150%0.499SS*.  trans-66.82.7172.1-60.4178.5164.600112.6Q91E89-Q91 PolarHBondContact O-N 3.25Å
90I72.9Confident78.6Confident96 Ų9698.2 Ų98.249%0.49254%0.543SS..  trans-79.7109.3-175.7-54.6174.1000108.4Y81 S88Y81-I90 PolarHBondContact OH-O 3.41Å; S88-I90 PolarHBondContact O-N 3.35Å; S88-I90 WeakPolarHBondContact OG-CB 3.44Å; S88-I90 PolarHBondContact OG-N 3.13Å
91Q76.7Confident78Confident133 Ų133103.2 Ų103.262%0.62157%0.57SS**  trans-96.6128.6170.7-66.5176.81.200109.5Y81 E89 F93Y81-Q91 WeakPolarHBondContact OH-CA 3.44Å; E89-Q91 PolarHBondContact O-N 3.25Å; Q91-F93 HydrophobicContact CB-CD2 4.2Å; Q91-F93 HydrophobicContact CB-CE2 3.46Å; Q91-F93 VanDerWaalsContact CB-CE2 3.46Å; Q91-F93 HydrophobicContact CB-CZ 3.84Å; Q91-F93 WeakPolarHBondContact O-CD2 3.43Å
92L77.8Confident77.4Confident73 Ų73105.9 Ų105.938%0.38259%0.589SS.*  trans-78.7130.2171.1-65.5179.7000110.2Y81 V95Y81-L92 HydrophobicContact CD1-CD1 4.37Å; Y81-L92 HydrophobicContact CD2-CD1 3.37Å; Y81-L92 HydrophobicContact CD2-CG 3.9Å; Y81-L92 HydrophobicContact CE2-CB 4.36Å; Y81-L92 HydrophobicContact CE2-CD1 3.61Å; Y81-L92 HydrophobicContact CE2-CG 3.56Å; Y81-L92 HydrophobicContact CG-CD1 3.78Å; Y81-L92 PolarHBondContact OH-N 3.05Å; L92-V95 HydrophobicContact CB-CG2 3.86Å; L92-V95 HydrophobicContact CD1-CG2 4.23Å; L92-V95 HydrophobicContact CG-CG2 4.5Å
93F78.1Confident76.8Confident109 Ų109105.2 Ų105.248%0.47859%0.586SS.*  trans-128.3146.9174-64.9-80.6000109.6Q91 V95Q91-F93 HydrophobicContact CB-CD2 4.2Å; Q91-F93 HydrophobicContact CB-CE2 3.46Å; Q91-F93 VanDerWaalsContact CB-CE2 3.46Å; Q91-F93 HydrophobicContact CB-CZ 3.84Å; Q91-F93 WeakPolarHBondContact O-CD2 3.43Å; F93-V95 VanDerWaalsContact C-N 3.28Å; F93-V95 PolarHBondContact O-N 2.65Å
94N82.3Confident76.2Confident149 Ų149105 Ų10580%0.79759%0.591SS**SBendtrans46.649.5174.9-59.9-8.6000113E96N94-E96 PolarHBondContact O-N 2.93Å
95V84.7Confident75.8Confident59 Ų59110.5 Ų110.536%0.35862%0.619SS.*  trans-67.9116.9175.6179.80000108.1L77 L92 F93 T97L77-V95 HydrophobicContact CD2-CG1 3.74Å; L92-V95 HydrophobicContact CB-CG2 3.86Å; L92-V95 HydrophobicContact CD1-CG2 4.23Å; L92-V95 HydrophobicContact CG-CG2 4.5Å; F93-V95 VanDerWaalsContact C-N 3.28Å; F93-V95 PolarHBondContact O-N 2.65Å; V95-T97 HydrophobicContact CG1-CG2 4.46Å
96E88.3Confident76.5Confident163 Ų163106.9 Ų106.976%0.76260%0.602SS**  trans-117.5139.9175.8-68.6177.1-170.200109.1N94N94-E96 PolarHBondContact O-N 2.93Å
97T88.1Confident77.7Confident26 Ų26111.9 Ų111.916%0.1663%0.626CS.*  trans-136.8134.1178.662.70000108.1F73 N74 V95F73-T97 HydrophobicContact CD1-CG2 3.74Å; F73-T97 HydrophobicContact CE1-CG2 3.69Å; N74-T97 VanDerWaalsContact CG-OG1 3.26Å; N74-T97 PolarHBondContact ND2-OG1 3.08Å; N74-T97 WeakPolarHBondContact OD1-CG2 3.43Å; N74-T97 PolarHBondContact OD1-OG1 2.91Å; N74-T97 VanDerWaalsContact OD1-OG1 3.12Å; V95-T97 HydrophobicContact CG1-CG2 4.46Å
98N86.5Confident79Confident137 Ų137110.8 Ų110.873%0.73361%0.607SS**  trans-120.6138.9172.4-60-70000107.9E70E70-N98 WeakPolarHBondContact OE1-CA 3.27Å
99A84.1Confident80.3Confident77 Ų77117 Ų11764%0.63664%0.636SS**  trans-80.5135.516900000109.6E70E70-A99 HydrophobicContact CG-CB 3.99Å; E70-A99 PolarHBondContact OE1-N 2.92Å
100S75.9Confident81.4Confident187 Ų187109.9 Ų109.9100%1.30861%0.611SS**  trans-136.70175.167.30000111

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