A0A5K4F7Y0_SCHMA Loading...

Venom peptide

AlphaFold DB , UniProt , Accession A0A5K4F7Y0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 66 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
1M63.2Low87.5Confident199 Ų199120.7 Ų120.798%0.9861%0.614SS**  0-55.60-59.7-54.7-131.600113.4L3 I4 A5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.3Å; M1-I4 PolarHBondContact O-N 3.05Å; M1-A5 PolarHBondContact O-N 3.2Å
2K78.5Confident88Confident199 Ų199117.2 Ų117.287%0.86560%0.597SS**Hα-helixtrans-58-38-176.5-65.5-175.5178.3-179.10114.7I4 A5 L6K2-I4 PolarHBondContact O-N 3.34Å; K2-A5 PolarHBondContact O-N 3.41Å; K2-L6 PolarHBondContact O-N 3.47Å
3L85.2Confident88.5Confident129 Ų129114 Ų11468%0.67559%0.587SS**Hα-helixtrans-64.4-38179.9-153.693.8000112.9M1 L6 L7M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.3Å; L3-L6 WeakPolarHBondContact O-CB 3.42Å; L3-L6 PolarHBondContact O-N 3.23Å; L3-L7 HydrophobicContact CD2-CD1 4.49Å; L3-L7 WeakPolarHBondContact O-CG 3.48Å; L3-L7 PolarHBondContact O-N 3.06Å
4I89.3Confident89Confident118 Ų118111.1 Ų111.161%0.60557%0.572SS**Hα-helixtrans-68.3-43-178.5-61.7172.2000110.2M1 K2 L6 L7 F8M1-I4 PolarHBondContact O-N 3.05Å; K2-I4 PolarHBondContact O-N 3.34Å; I4-L6 VanDerWaalsContact C-N 3.29Å; I4-L6 PolarHBondContact O-N 3.28Å; I4-L7 PolarHBondContact O-N 2.86Å; I4-F8 PolarHBondContact O-N 2.93Å
5A89.4Confident89.2Confident56 Ų56107.3 Ų107.346%0.46356%0.559SS.*Hα-helixtrans-61.2-39.7175.700000111.8M1 K2 F8 L9M1-A5 PolarHBondContact O-N 3.2Å; K2-A5 PolarHBondContact O-N 3.41Å; A5-F8 PolarHBondContact O-N 3.48Å; A5-L9 WeakPolarHBondContact O-CG 3.35Å; A5-L9 PolarHBondContact O-N 3.45Å
6L90.8Very high89.4Confident103 Ų103106.3 Ų106.354%0.53956%0.555SS.*Hα-helixtrans-62.2-47.7176.1-167.197.3000111.7K2 L3 I4 F8 L9 I10K2-L6 PolarHBondContact O-N 3.47Å; L3-L6 WeakPolarHBondContact O-CB 3.42Å; L3-L6 PolarHBondContact O-N 3.23Å; I4-L6 VanDerWaalsContact C-N 3.29Å; I4-L6 PolarHBondContact O-N 3.28Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 3.4Å; L6-L9 PolarHBondContact O-N 2.99Å; L6-I10 HydrophobicContact CD2-CD1 4.11Å; L6-I10 HydrophobicContact CG-CD1 4.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.36Å; L6-I10 PolarHBondContact O-N 3.02Å
7L92.1Very high89.6Confident94 Ų94106.8 Ų106.849%0.49256%0.557SS.*Hα-helixtrans-61.1-39.5178.3-71.2170.7000111.9L3 I4 I10 L11L3-L7 HydrophobicContact CD2-CD1 4.49Å; L3-L7 WeakPolarHBondContact O-CG 3.48Å; L3-L7 PolarHBondContact O-N 3.06Å; I4-L7 PolarHBondContact O-N 2.86Å; L7-I10 PolarHBondContact O-N 3.47Å; L7-L11 WeakPolarHBondContact O-CG 3.33Å; L7-L11 PolarHBondContact O-N 3.27Å
8F93.2Very high89.7Confident127 Ų127110.3 Ų110.356%0.55756%0.563SS**Hα-helixtrans-64.7-42.2176.9-173.6-107.7000112.4I4 A5 L6 I10 L11 L12I4-F8 PolarHBondContact O-N 2.93Å; A5-F8 PolarHBondContact O-N 3.48Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 3.4Å; F8-I10 VanDerWaalsContact C-N 3.33Å; F8-I10 PolarHBondContact O-N 3.45Å; F8-L11 PolarHBondContact O-N 3.4Å; F8-L12 HydrophobicContact CD1-CD1 3.77Å; F8-L12 HydrophobicContact CD1-CG 4.35Å; F8-L12 HydrophobicContact CE1-CD1 3.36Å; F8-L12 HydrophobicContact CE1-CG 4.03Å; F8-L12 HydrophobicContact CZ-CD1 3.92Å; F8-L12 HydrophobicContact CZ-CD2 4.31Å; F8-L12 HydrophobicContact CZ-CG 4.16Å; F8-L12 WeakPolarHBondContact O-CG 3.48Å; F8-L12 PolarHBondContact O-N 3.01Å
9L93.7Very high89.6Confident106 Ų106111.2 Ų111.256%0.55556%0.564SS**Hα-helixtrans-63.7-38.3175.3-70171.6000112.1A5 L6 L12 T13A5-L9 WeakPolarHBondContact O-CG 3.35Å; A5-L9 PolarHBondContact O-N 3.45Å; L6-L9 PolarHBondContact O-N 2.99Å; L9-L12 PolarHBondContact O-N 3.26Å; L9-T13 WeakPolarHBondContact O-CG2 3.29Å; L9-T13 PolarHBondContact O-N 3.34Å; L9-T13 PolarHBondContact O-OG1 3.39Å
10I93.4Very high89.5Confident79 Ų79109.7 Ų109.741%0.40556%0.564SS.*Hα-helixtrans-63.5-44.1174.6-67.7166.6000110.4L6 L7 F8 L12 T13 I14L6-I10 HydrophobicContact CD2-CD1 4.11Å; L6-I10 HydrophobicContact CG-CD1 4.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.36Å; L6-I10 PolarHBondContact O-N 3.02Å; L7-I10 PolarHBondContact O-N 3.47Å; F8-I10 VanDerWaalsContact C-N 3.33Å; F8-I10 PolarHBondContact O-N 3.45Å; I10-L12 PolarHBondContact O-N 2.96Å; I10-T13 WeakPolarHBondContact CA-OG1 3.48Å; I10-T13 PolarHBondContact O-N 2.98Å; I10-T13 PolarHBondContact O-OG1 3.09Å; I10-I14 HydrophobicContact CG2-CD1 3.73Å; I10-I14 HydrophobicContact CG2-CG1 4.43Å; I10-I14 WeakPolarHBondContact O-CB 3.5Å; I10-I14 VanDerWaalsContact O-CG1 3.25Å; I10-I14 WeakPolarHBondContact O-CG1 3.37Å; I10-I14 PolarHBondContact O-N 3.38Å
11L94.3Very high89.3Confident118 Ų118106.9 Ų106.962%0.61856%0.558SS**Hα-helixtrans-63-43.3177.3-72.9169.2000112.5L7 F8 I14 S15L7-L11 WeakPolarHBondContact O-CG 3.33Å; L7-L11 PolarHBondContact O-N 3.27Å; F8-L11 PolarHBondContact O-N 3.4Å; L11-I14 PolarHBondContact O-N 3.02Å; L11-S15 PolarHBondContact O-N 3.49Å
12L93.6Very high90.3Very high78 Ų78102 Ų10241%0.40854%0.536SS..Hα-helixtrans-62.6-44.1176.5-75.3175.6000112.3F8 L9 I10 S15 N16F8-L12 HydrophobicContact CD1-CD1 3.77Å; F8-L12 HydrophobicContact CD1-CG 4.35Å; F8-L12 HydrophobicContact CE1-CD1 3.36Å; F8-L12 HydrophobicContact CE1-CG 4.03Å; F8-L12 HydrophobicContact CZ-CD1 3.92Å; F8-L12 HydrophobicContact CZ-CD2 4.31Å; F8-L12 HydrophobicContact CZ-CG 4.16Å; F8-L12 WeakPolarHBondContact O-CG 3.48Å; F8-L12 PolarHBondContact O-N 3.01Å; L9-L12 PolarHBondContact O-N 3.26Å; I10-L12 PolarHBondContact O-N 2.96Å; L12-S15 WeakPolarHBondContact O-CB 3.42Å; L12-S15 PolarHBondContact O-N 2.96Å; L12-N16 PolarHBondContact O-N 3.29Å; L12-N16 PolarHBondContact O-OD1 3.49Å
13T94.6Very high90.5Very high76 Ų7694.6 Ų94.647%0.46651%0.512SS..Hα-helixtrans-64.8-41178.848.60000111.9L9 I10 N16 I17L9-T13 WeakPolarHBondContact O-CG2 3.29Å; L9-T13 PolarHBondContact O-N 3.34Å; L9-T13 PolarHBondContact O-OG1 3.39Å; I10-T13 WeakPolarHBondContact CA-OG1 3.48Å; I10-T13 PolarHBondContact O-N 2.98Å; I10-T13 PolarHBondContact O-OG1 3.09Å; T13-N16 PolarHBondContact O-N 2.98Å; T13-I17 VanDerWaalsContact O-CG1 3.29Å; T13-I17 WeakPolarHBondContact O-CG1 3.4Å; T13-I17 PolarHBondContact O-N 3.43Å; T13-I17 VanDerWaalsContact O-N 3.09Å
14I94.6Very high90.3Very high74 Ų7493.8 Ų93.838%0.37951%0.507SS..Hα-helixtrans-60.5-46.1173.9-70169.4000110.7I10 L11 N16 I17 Y18I10-I14 HydrophobicContact CG2-CD1 3.73Å; I10-I14 HydrophobicContact CG2-CG1 4.43Å; I10-I14 WeakPolarHBondContact O-CB 3.5Å; I10-I14 VanDerWaalsContact O-CG1 3.25Å; I10-I14 WeakPolarHBondContact O-CG1 3.37Å; I10-I14 PolarHBondContact O-N 3.38Å; L11-I14 PolarHBondContact O-N 3.02Å; I14-N16 PolarHBondContact O-N 2.78Å; I14-I17 PolarHBondContact O-N 3.35Å; I14-Y18 HydrophobicContact CG2-CD2 3.63Å; I14-Y18 HydrophobicContact CG2-CE2 3.41Å; I14-Y18 VanDerWaalsContact CG2-CE2 3.41Å; I14-Y18 VanDerWaalsContact O-CD2 3.22Å; I14-Y18 WeakPolarHBondContact O-CD2 3.25Å; I14-Y18 PolarHBondContact O-N 3.13Å
15S92.4Very high90Very high54 Ų5494.6 Ų94.638%0.37851%0.508SS..Hα-helixtrans-57.2-47.3177.7-1640000112L11 L12 I17 Y18 E19L11-S15 PolarHBondContact O-N 3.49Å; L12-S15 WeakPolarHBondContact O-CB 3.42Å; L12-S15 PolarHBondContact O-N 2.96Å; S15-I17 VanDerWaalsContact C-N 3.29Å; S15-I17 PolarHBondContact O-N 2.89Å; S15-Y18 PolarHBondContact O-N 3.04Å; S15-Y18 VanDerWaalsContact O-N 3.13Å; S15-E19 PolarHBondContact O-N 3.35Å
16N92.5Very high89.4Confident91 Ų9197.3 Ų97.349%0.48751%0.513SS..Hα-helixtrans-63-35179.2-68.9-7.2000112.6L12 T13 I14 S20L12-N16 PolarHBondContact O-N 3.29Å; L12-N16 PolarHBondContact O-OD1 3.49Å; T13-N16 PolarHBondContact O-N 2.98Å; I14-N16 PolarHBondContact O-N 2.78Å; N16-S20 WeakPolarHBondContact O-CB 3.38Å; N16-S20 PolarHBondContact O-N 3.05Å; N16-S20 PolarHBondContact O-OG 3.19Å
17I93Very high88.7Confident115 Ų11599.7 Ų99.759%0.5952%0.516SS*.Hα-helixtrans-65.8-43.5175-68.7165.1000110.2T13 I14 S15 S20 A21T13-I17 VanDerWaalsContact O-CG1 3.29Å; T13-I17 WeakPolarHBondContact O-CG1 3.4Å; T13-I17 PolarHBondContact O-N 3.43Å; T13-I17 VanDerWaalsContact O-N 3.09Å; I14-I17 PolarHBondContact O-N 3.35Å; S15-I17 VanDerWaalsContact C-N 3.29Å; S15-I17 PolarHBondContact O-N 2.89Å; I17-S20 PolarHBondContact O-N 3Å; I17-A21 WeakPolarHBondContact O-CB 3.22Å; I17-A21 PolarHBondContact O-N 3.42Å
18Y90.8Very high88Confident170 Ų17098.5 Ų98.567%0.66751%0.512SS*.Hα-helixtrans-63.2-43.5177.3-83.4-70.8000112.6I14 S15 S20 A21 N22I14-Y18 HydrophobicContact CG2-CD2 3.63Å; I14-Y18 HydrophobicContact CG2-CE2 3.41Å; I14-Y18 VanDerWaalsContact CG2-CE2 3.41Å; I14-Y18 VanDerWaalsContact O-CD2 3.22Å; I14-Y18 WeakPolarHBondContact O-CD2 3.25Å; I14-Y18 PolarHBondContact O-N 3.13Å; S15-Y18 PolarHBondContact O-N 3.04Å; S15-Y18 VanDerWaalsContact O-N 3.13Å; Y18-S20 VanDerWaalsContact C-N 3.33Å; Y18-S20 PolarHBondContact O-N 3.34Å; Y18-A21 PolarHBondContact O-N 2.92Å; Y18-N22 WeakPolarHBondContact O-CB 3.5Å; Y18-N22 PolarHBondContact O-N 3.25Å
19E88.9Confident87.1Confident127 Ų12798.4 Ų98.459%0.59351%0.513SS*.Hα-helixtrans-61.1-43.7176-71.7179.9-173.600111.6S15 N22 A23S15-E19 PolarHBondContact O-N 3.35Å; E19-N22 PolarHBondContact O-N 3.45Å; E19-A23 PolarHBondContact O-N 2.92Å
20S86.4Confident86.1Confident80 Ų8098.4 Ų98.456%0.55951%0.511SS*.Hα-helixtrans-65-40.5178-57.30000112.2N16 I17 Y18 A23 L24N16-S20 WeakPolarHBondContact O-CB 3.38Å; N16-S20 PolarHBondContact O-N 3.05Å; N16-S20 PolarHBondContact O-OG 3.19Å; I17-S20 PolarHBondContact O-N 3Å; Y18-S20 VanDerWaalsContact C-N 3.33Å; Y18-S20 PolarHBondContact O-N 3.34Å; S20-A23 PolarHBondContact O-N 3.4Å; S20-L24 WeakPolarHBondContact O-CB 3.45Å; S20-L24 PolarHBondContact O-N 3.23Å
21A86.6Confident85.2Confident52 Ų5299.8 Ų99.843%0.4352%0.519SS..Hα-helixtrans-65.6-40.5176.900000111.8I17 Y18 L24 Q25I17-A21 WeakPolarHBondContact O-CB 3.22Å; I17-A21 PolarHBondContact O-N 3.42Å; Y18-A21 PolarHBondContact O-N 2.92Å; A21-L24 PolarHBondContact O-N 3.36Å; A21-Q25 WeakPolarHBondContact O-CB 3.26Å; A21-Q25 PolarHBondContact O-N 3.36Å
22N83.8Confident84.2Confident96 Ų9699.4 Ų99.451%0.51351%0.514SS..Hα-helixtrans-66.2-41.6177.1-168.747.2000111.7Y18 E19 L24 Q25 M26Y18-N22 WeakPolarHBondContact O-CB 3.5Å; Y18-N22 PolarHBondContact O-N 3.25Å; E19-N22 PolarHBondContact O-N 3.45Å; N22-L24 PolarHBondContact O-N 3.01Å; N22-Q25 WeakPolarHBondContact O-CB 3.49Å; N22-Q25 PolarHBondContact O-N 2.97Å; N22-M26 PolarHBondContact O-N 3.02Å
23A82.9Confident83.4Confident44 Ų4499.3 Ų99.336%0.36452%0.519SS..Hα-helixtrans-60.2-45.6173.800000111.4E19 S20 Q25 M26 Y27E19-A23 PolarHBondContact O-N 2.92Å; S20-A23 PolarHBondContact O-N 3.4Å; A23-Q25 VanDerWaalsContact C-N 3.3Å; A23-Q25 PolarHBondContact O-N 3.47Å; A23-M26 PolarHBondContact O-N 2.98Å; A23-Y27 WeakPolarHBondContact O-CD2 3.43Å; A23-Y27 PolarHBondContact O-N 3.21Å; A23-Y27 VanDerWaalsContact O-N 3.12Å
24L81.1Confident82.5Confident111 Ų111100 Ų10058%0.58152%0.518SS*.Hα-helixtrans-60.9-39.9176-175.464.6000111.7S20 A21 N22 M26 Y27 V28S20-L24 WeakPolarHBondContact O-CB 3.45Å; S20-L24 PolarHBondContact O-N 3.23Å; A21-L24 PolarHBondContact O-N 3.36Å; N22-L24 PolarHBondContact O-N 3.01Å; L24-M26 VanDerWaalsContact C-N 3.32Å; L24-M26 PolarHBondContact O-N 3.49Å; L24-Y27 PolarHBondContact O-N 3.46Å; L24-V28 HydrophobicContact CG-CG2 4.44Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 2.99Å
25Q81.2Confident81.9Confident135 Ų13599.5 Ų99.563%0.63152%0.522SS*.Hα-helixtrans-62.2-39.6176.9-173.4176.20.400111.9A21 N22 A23 V28 H29A21-Q25 WeakPolarHBondContact O-CB 3.26Å; A21-Q25 PolarHBondContact O-N 3.36Å; N22-Q25 WeakPolarHBondContact O-CB 3.49Å; N22-Q25 PolarHBondContact O-N 2.97Å; A23-Q25 VanDerWaalsContact C-N 3.3Å; A23-Q25 PolarHBondContact O-N 3.47Å; Q25-V28 PolarHBondContact O-N 3.4Å; Q25-H29 WeakPolarHBondContact O-CB 3.16Å; Q25-H29 PolarHBondContact O-N 2.9Å
26M76.7Confident81.5Confident113 Ų113101.9 Ų101.956%0.55753%0.53SS*.Hα-helixtrans-61.7-46.5173.6-70-168.665.800111.6N22 A23 L24 V28 H29 E30N22-M26 PolarHBondContact O-N 3.02Å; A23-M26 PolarHBondContact O-N 2.98Å; L24-M26 VanDerWaalsContact C-N 3.32Å; L24-M26 PolarHBondContact O-N 3.49Å; M26-V28 VanDerWaalsContact C-N 3.33Å; M26-V28 PolarHBondContact O-N 3.37Å; M26-H29 PolarHBondContact O-N 3.2Å; M26-E30 WeakPolarHBondContact O-CG 3.49Å; M26-E30 PolarHBondContact O-N 3.29Å
27Y76.6Confident80.7Confident153 Ų153102.3 Ų102.360%0.653%0.532SS*.Hα-helixtrans-60.8-39.7175.9-78.6-69000113.1A23 L24 N31A23-Y27 WeakPolarHBondContact O-CD2 3.43Å; A23-Y27 PolarHBondContact O-N 3.21Å; A23-Y27 VanDerWaalsContact O-N 3.12Å; L24-Y27 PolarHBondContact O-N 3.46Å; Y27-N31 PolarHBondContact O-N 2.92Å; Y27-N31 VanDerWaalsContact O-N 3.14Å; Y27-N31 PolarHBondContact O-ND2 3.03Å
28V77.8Confident80Confident69 Ų69101.7 Ų101.742%0.41853%0.527SS..Hα-helixtrans-66.4-41.8176.7173.40000110.6L24 Q25 M26 N31 Q32L24-V28 HydrophobicContact CG-CG2 4.44Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 2.99Å; Q25-V28 PolarHBondContact O-N 3.4Å; M26-V28 VanDerWaalsContact C-N 3.33Å; M26-V28 PolarHBondContact O-N 3.37Å; V28-N31 PolarHBondContact O-N 3.14Å; V28-Q32 WeakPolarHBondContact O-CG 3.41Å; V28-Q32 PolarHBondContact O-N 3.12Å
29H74.7Confident79.8Confident126 Ų12698.6 Ų98.658%0.58352%0.518SS*.Hα-helixtrans-66.3-39177.9-167-22.3000111.9Q25 M26 N31 Q32 C33Q25-H29 WeakPolarHBondContact O-CB 3.16Å; Q25-H29 PolarHBondContact O-N 2.9Å; M26-H29 PolarHBondContact O-N 3.2Å; H29-N31 VanDerWaalsContact C-N 3.32Å; H29-N31 PolarHBondContact O-N 3.12Å; H29-Q32 PolarHBondContact O-N 3.41Å; H29-C33 WeakPolarHBondContact O-CB 3.48Å; H29-C33 PolarHBondContact O-N 3.03Å
30E73Confident79.5Confident106 Ų10697 Ų9750%0.49551%0.514SS..Hα-helixtrans-60.4-42.6173.8-75.1178.5-177.600111.4M26 C33 I34M26-E30 WeakPolarHBondContact O-CG 3.49Å; M26-E30 PolarHBondContact O-N 3.29Å; E30-C33 WeakPolarHBondContact O-CB 3.45Å; E30-C33 PolarHBondContact O-N 3.05Å; E30-I34 WeakPolarHBondContact O-CG1 3.37Å; E30-I34 PolarHBondContact O-N 3.28Å
31N73.2Confident79.1Confident107 Ų10798.8 Ų98.857%0.57251%0.514SS*.Hα-helixtrans-66.4-37.5176.1-73.9-45.1000112.9Y27 V28 H29 I34 S35Y27-N31 PolarHBondContact O-N 2.92Å; Y27-N31 VanDerWaalsContact O-N 3.14Å; Y27-N31 PolarHBondContact O-ND2 3.03Å; V28-N31 PolarHBondContact O-N 3.14Å; H29-N31 VanDerWaalsContact C-N 3.32Å; H29-N31 PolarHBondContact O-N 3.12Å; N31-I34 PolarHBondContact O-N 3.47Å; N31-S35 PolarHBondContact O-N 2.89Å
32Q73.8Confident79.1Confident111 Ų111101.3 Ų101.352%0.51952%0.521SS..Hα-helixtrans-64.4-43173.4-75.3175.9-17.600111.5V28 H29 I34 S35 D36V28-Q32 WeakPolarHBondContact O-CG 3.41Å; V28-Q32 PolarHBondContact O-N 3.12Å; H29-Q32 PolarHBondContact O-N 3.41Å; Q32-I34 VanDerWaalsContact C-N 3.31Å; Q32-I34 PolarHBondContact O-N 3.32Å; Q32-S35 WeakPolarHBondContact O-CB 3.31Å; Q32-S35 PolarHBondContact O-N 2.92Å; Q32-S35 VanDerWaalsContact O-N 3.12Å; Q32-D36 VanDerWaalsContact O-CG 3.32Å; Q32-D36 PolarHBondContact O-N 3.19Å
33C76.9Confident79.1Confident75 Ų75101.8 Ų101.851%0.50752%0.52SS..Hα-helixtrans-59.2-41.4175.8-176.20000112H29 E30 L37H29-C33 WeakPolarHBondContact O-CB 3.48Å; H29-C33 PolarHBondContact O-N 3.03Å; E30-C33 WeakPolarHBondContact O-CB 3.45Å; E30-C33 PolarHBondContact O-N 3.05Å; C33-L37 VanDerWaalsContact O-CB 3.29Å; C33-L37 WeakPolarHBondContact O-CB 3.29Å; C33-L37 PolarHBondContact O-N 3.37Å
34I76.6Confident78.8Confident90 Ų90103.1 Ų103.146%0.46253%0.526SS..Hα-helixtrans-64-43.2175.1-67.2166.7000110.9E30 N31 Q32 L37 Q38E30-I34 WeakPolarHBondContact O-CG1 3.37Å; E30-I34 PolarHBondContact O-N 3.28Å; N31-I34 PolarHBondContact O-N 3.47Å; Q32-I34 VanDerWaalsContact C-N 3.31Å; Q32-I34 PolarHBondContact O-N 3.32Å; I34-L37 PolarHBondContact O-N 2.86Å; I34-Q38 WeakPolarHBondContact O-CB 3.44Å; I34-Q38 VanDerWaalsContact O-CG 3.31Å; I34-Q38 WeakPolarHBondContact O-CG 3.4Å; I34-Q38 PolarHBondContact O-N 3.4Å
35S80.5Confident78.8Confident65 Ų6598.8 Ų98.846%0.45551%0.508SS..Hα-helixtrans-63.3-45.1177.9-172.30000112.1N31 Q32 L37 Q38 Q39N31-S35 PolarHBondContact O-N 2.89Å; Q32-S35 WeakPolarHBondContact O-CB 3.31Å; Q32-S35 PolarHBondContact O-N 2.92Å; Q32-S35 VanDerWaalsContact O-N 3.12Å; S35-L37 VanDerWaalsContact C-N 3.32Å; S35-L37 PolarHBondContact O-N 3.4Å; S35-Q38 PolarHBondContact O-N 2.96Å; S35-Q39 PolarHBondContact O-N 2.93Å
36D83.7Confident78.8Confident104 Ų10498 Ų9856%0.55651%0.508SS*.Hα-helixtrans-64.6-39178.1-67.7-16.3000111Q32 Q39 L40Q32-D36 VanDerWaalsContact O-CG 3.32Å; Q32-D36 PolarHBondContact O-N 3.19Å; D36-Q39 PolarHBondContact O-N 3.44Å; D36-L40 WeakPolarHBondContact O-CB 3.48Å; D36-L40 PolarHBondContact O-N 2.91Å
37L76.4Confident78.9Confident99 Ų9997.7 Ų97.752%0.51851%0.505SS..Hα-helixtrans-66.3-40.2175.4-173.267.8000111.7C33 I34 S35 L40 M41C33-L37 VanDerWaalsContact O-CB 3.29Å; C33-L37 WeakPolarHBondContact O-CB 3.29Å; C33-L37 PolarHBondContact O-N 3.37Å; I34-L37 PolarHBondContact O-N 2.86Å; S35-L37 VanDerWaalsContact C-N 3.32Å; S35-L37 PolarHBondContact O-N 3.4Å; L37-L40 PolarHBondContact O-N 2.9Å; L37-M41 WeakPolarHBondContact O-CG 3.47Å; L37-M41 PolarHBondContact O-N 3.27Å
38Q78.9Confident78.7Confident102 Ų10298 Ų9848%0.47751%0.506SS..Hα-helixtrans-61.6-47.2174.5-77.6174.4-21.700111.2I34 S35 L40 M41 D42I34-Q38 WeakPolarHBondContact O-CB 3.44Å; I34-Q38 VanDerWaalsContact O-CG 3.31Å; I34-Q38 WeakPolarHBondContact O-CG 3.4Å; I34-Q38 PolarHBondContact O-N 3.4Å; S35-Q38 PolarHBondContact O-N 2.96Å; Q38-L40 VanDerWaalsContact C-N 3.32Å; Q38-L40 PolarHBondContact O-N 2.9Å; Q38-M41 HydrophobicContact CG-CE 4.45Å; Q38-M41 PolarHBondContact O-N 3.24Å; Q38-D42 PolarHBondContact O-N 3.46Å
39Q85.5Confident78.5Confident105 Ų10599.8 Ų99.849%0.49151%0.509SS..Hα-helixtrans-59.2-43.8175.7-175.9-178.9-18.500111.6S35 D36 M41 D42 E43S35-Q39 PolarHBondContact O-N 2.93Å; D36-Q39 PolarHBondContact O-N 3.44Å; Q39-M41 VanDerWaalsContact C-N 3.34Å; Q39-M41 PolarHBondContact O-N 2.95Å; Q39-D42 PolarHBondContact O-N 3.48Å; Q39-E43 PolarHBondContact NE2-OE1 2.92Å; Q39-E43 WeakPolarHBondContact O-CG 3.42Å; Q39-E43 PolarHBondContact O-N 2.9Å
40L84.4Confident78.6Confident95 Ų9597 Ų9750%0.49750%0.503SS..Hα-helixtrans-63.8-39.3177.7-174.166.9000112.1D36 L37 Q38 C44D36-L40 WeakPolarHBondContact O-CB 3.48Å; D36-L40 PolarHBondContact O-N 2.91Å; L37-L40 PolarHBondContact O-N 2.9Å; Q38-L40 VanDerWaalsContact C-N 3.32Å; Q38-L40 PolarHBondContact O-N 2.9Å; L40-C44 WeakPolarHBondContact O-CB 3.34Å; L40-C44 PolarHBondContact O-N 3.03Å; L40-C44 PolarHBondContact O-SG 3.35Å
41M77.8Confident79.1Confident116 Ų11698 Ų9857%0.57151%0.506SS*.Hα-helixtrans-64.6-39.7174.6-73.4-165.1-45.500112L37 Q38 Q39 G45L37-M41 WeakPolarHBondContact O-CG 3.47Å; L37-M41 PolarHBondContact O-N 3.27Å; Q38-M41 HydrophobicContact CG-CE 4.45Å; Q38-M41 PolarHBondContact O-N 3.24Å; Q39-M41 VanDerWaalsContact C-N 3.34Å; Q39-M41 PolarHBondContact O-N 2.95Å; M41-G45 PolarHBondContact O-N 2.88Å
42D85.7Confident79.4Confident106 Ų10697.2 Ų97.257%0.56750%0.498SS*.Hα-helixtrans-65.3-46.9177.1-69.8-20.2000110.6Q38 Q39 C44 G45 D46Q38-D42 PolarHBondContact O-N 3.46Å; Q39-D42 PolarHBondContact O-N 3.48Å; D42-C44 PolarHBondContact O-N 3.49Å; D42-G45 PolarHBondContact O-N 3.23Å; D42-D46 WeakPolarHBondContact O-CB 3.08Å; D42-D46 PolarHBondContact O-N 2.82Å
43E83.4Confident79.4Confident106 Ų10698.6 Ų98.650%0.49550%0.499SS..Hα-helixtrans-60.7-44.1175.8-72.4177.8-167.300112.1Q39 D46 E47Q39-E43 PolarHBondContact NE2-OE1 2.92Å; Q39-E43 WeakPolarHBondContact O-CG 3.42Å; Q39-E43 PolarHBondContact O-N 2.9Å; E43-D46 PolarHBondContact O-N 3.12Å; E43-E47 PolarHBondContact O-N 3.46Å
44C77.2Confident79.6Confident72 Ų7297 Ų9749%0.48649%0.491SS..Hα-helixtrans-65.5-40.2175.9-70.10000112L40 D42 Y48L40-C44 WeakPolarHBondContact O-CB 3.34Å; L40-C44 PolarHBondContact O-N 3.03Å; L40-C44 PolarHBondContact O-SG 3.35Å; D42-C44 PolarHBondContact O-N 3.49Å; C44-Y48 VanDerWaalsContact O-CB 3.31Å; C44-Y48 WeakPolarHBondContact O-CB 3.34Å; C44-Y48 PolarHBondContact O-N 3.42Å
45G80.2Confident79.7Confident20 Ų20100.9 Ų100.921%0.20650%0.5CS..Hα-helixtrans-59.9-51.8176.500000110.5M41 D42 E47 Y48 F49M41-G45 PolarHBondContact O-N 2.88Å; D42-G45 PolarHBondContact O-N 3.23Å; G45-E47 PolarHBondContact O-N 2.81Å; G45-Y48 PolarHBondContact O-N 2.92Å; G45-F49 WeakPolarHBondContact O-CB 3.19Å; G45-F49 WeakPolarHBondContact O-CD2 3.48Å; G45-F49 WeakPolarHBondContact O-CG 3.31Å; G45-F49 PolarHBondContact O-N 3.17Å
46D82Confident79.6Confident117 Ų117100 Ų10063%0.62649%0.489SS*.Hα-helixtrans-60.5-42.6179.5-78.7-14.2000112.3D42 E43 S50D42-D46 WeakPolarHBondContact O-CB 3.08Å; D42-D46 PolarHBondContact O-N 2.82Å; E43-D46 PolarHBondContact O-N 3.12Å; D46-S50 WeakPolarHBondContact O-CB 2.99Å; D46-S50 PolarHBondContact O-N 3.49Å; D46-S50 PolarHBondContact O-OG 2.89Å
47E79Confident79.1Confident108 Ų108103.8 Ų103.851%0.50550%0.495SS..Hα-helixtrans-65.1-44.3176.3-165.6-174.6165.400111.7E43 G45 S50 K51E43-E47 PolarHBondContact O-N 3.46Å; G45-E47 PolarHBondContact O-N 2.81Å; E47-S50 PolarHBondContact O-OG 3.43Å; E47-K51 HydrophobicContact CG-CD 4.4Å; E47-K51 WeakPolarHBondContact O-CG 3.48Å; E47-K51 PolarHBondContact O-N 3.23Å; E47-K51 VanDerWaalsContact O-N 3.17Å; E47-K51 WeakPolarHBondContact OE1-CE 3.37Å; E47-K51 IonicContact OE1-NZ 2.59Å; E47-K51 PolarHBondContact OE1-NZ 2.93Å
48Y72.2Confident79.1Confident158 Ų158106.4 Ų106.462%0.6250%0.5SS*.Hα-helixtrans-63.7-49.1177.9-176.4-91.6000111.5C44 G45 K51 F52C44-Y48 VanDerWaalsContact O-CB 3.31Å; C44-Y48 WeakPolarHBondContact O-CB 3.34Å; C44-Y48 PolarHBondContact O-N 3.42Å; G45-Y48 PolarHBondContact O-N 2.92Å; Y48-K51 PolarHBondContact O-N 2.89Å; Y48-F52 VanDerWaalsContact O-CB 3.29Å; Y48-F52 WeakPolarHBondContact O-CB 3.48Å; Y48-F52 PolarHBondContact O-N 2.88Å
49F73.4Confident79.1Confident108 Ų108105.6 Ų105.647%0.47449%0.494SS..Hα-helixtrans-63.2-43.9-179.8-77.3-61.2000111.3G45 K51 F52 Y53G45-F49 WeakPolarHBondContact O-CB 3.19Å; G45-F49 WeakPolarHBondContact O-CD2 3.48Å; G45-F49 WeakPolarHBondContact O-CG 3.31Å; G45-F49 PolarHBondContact O-N 3.17Å; F49-K51 PolarHBondContact O-N 2.59Å; F49-F52 PolarHBondContact O-N 3.39Å; F49-Y53 HydrophobicContact CB-CD2 4.2Å; F49-Y53 HydrophobicContact CB-CE2 4.18Å; F49-Y53 HydrophobicContact CD1-CE2 4.05Å; F49-Y53 HydrophobicContact CG-CE2 4.49Å; F49-Y53 WeakPolarHBondContact O-CB 3.44Å; F49-Y53 WeakPolarHBondContact O-CD2 3.48Å; F49-Y53 PolarHBondContact O-N 2.94Å
50S77.7Confident78.6Confident67 Ų67108.2 Ų108.247%0.46950%0.5SS..Hα-helixtrans-60.4-44.2178.963.80000112.2D46 E47 A54D46-S50 WeakPolarHBondContact O-CB 2.99Å; D46-S50 PolarHBondContact O-N 3.49Å; D46-S50 PolarHBondContact O-OG 2.89Å; E47-S50 PolarHBondContact O-OG 3.43Å; S50-A54 VanDerWaalsContact O-CB 3.26Å; S50-A54 WeakPolarHBondContact O-CB 3.41Å; S50-A54 PolarHBondContact O-N 2.96Å
51K82.2Confident77.9Confident127 Ų127112.4 Ų112.455%0.55251%0.509SS*.Hα-helixtrans-66.1-42.7175-74.8174.7174.9169.60112.2E47 Y48 F49 A54 R55E47-K51 HydrophobicContact CG-CD 4.4Å; E47-K51 WeakPolarHBondContact O-CG 3.48Å; E47-K51 PolarHBondContact O-N 3.23Å; E47-K51 VanDerWaalsContact O-N 3.17Å; E47-K51 WeakPolarHBondContact OE1-CE 3.37Å; E47-K51 IonicContact OE1-NZ 2.59Å; E47-K51 PolarHBondContact OE1-NZ 2.93Å; Y48-K51 PolarHBondContact O-N 2.89Å; F49-K51 PolarHBondContact O-N 2.59Å; K51-A54 PolarHBondContact O-N 3.43Å; K51-R55 WeakPolarHBondContact O-CB 3.37Å; K51-R55 PolarHBondContact O-N 2.91Å
52F79.9Confident77.8Confident91 Ų91111.8 Ų111.840%0.39951%0.508SS..Hα-helixtrans-60.2-50.3176.8178.6-93.6000111.5Y48 F49 A54 R55 E56Y48-F52 VanDerWaalsContact O-CB 3.29Å; Y48-F52 WeakPolarHBondContact O-CB 3.48Å; Y48-F52 PolarHBondContact O-N 2.88Å; F49-F52 PolarHBondContact O-N 3.39Å; F52-A54 PolarHBondContact O-N 3.41Å; F52-R55 WeakPolarHBondContact O-CB 3.47Å; F52-R55 PolarHBondContact O-N 2.84Å; F52-E56 HydrophobicContact CD1-CG 4.44Å; F52-E56 HydrophobicContact CE1-CG 3.99Å; F52-E56 HydrophobicContact CZ-CG 4.07Å; F52-E56 PolarHBondContact O-N 3.25Å
53Y73.8Confident76.8Confident139 Ų139114.6 Ų114.655%0.54551%0.511SS..Hα-helixtrans-67.3-35.7178.4-76.7-64.4000112.8F49 E56 R57F49-Y53 HydrophobicContact CB-CD2 4.2Å; F49-Y53 HydrophobicContact CB-CE2 4.18Å; F49-Y53 HydrophobicContact CD1-CE2 4.05Å; F49-Y53 HydrophobicContact CG-CE2 4.49Å; F49-Y53 WeakPolarHBondContact O-CB 3.44Å; F49-Y53 WeakPolarHBondContact O-CD2 3.48Å; F49-Y53 PolarHBondContact O-N 2.94Å; Y53-E56 PolarHBondContact O-N 3.27Å; Y53-R57 WeakPolarHBondContact O-CB 3.26Å; Y53-R57 WeakPolarHBondContact O-CG 3.38Å; Y53-R57 PolarHBondContact O-N 2.9Å
54A80.8Confident75.8Confident42 Ų42118 Ų11835%0.34752%0.524SS..Hα-helixtrans-59.5-48.5171.900000110.5S50 K51 F52 E56 R57 Y58S50-A54 VanDerWaalsContact O-CB 3.26Å; S50-A54 WeakPolarHBondContact O-CB 3.41Å; S50-A54 PolarHBondContact O-N 2.96Å; K51-A54 PolarHBondContact O-N 3.43Å; F52-A54 PolarHBondContact O-N 3.41Å; A54-E56 PolarHBondContact O-N 2.96Å; A54-R57 WeakPolarHBondContact O-CB 3.41Å; A54-R57 PolarHBondContact O-N 3.02Å; A54-Y58 WeakPolarHBondContact O-CD2 3.49Å; A54-Y58 PolarHBondContact O-N 3.18Å
55R78.9Confident75Confident172 Ų172125.1 Ų125.165%0.64954%0.541SS*.Hα-helixtrans-60.1-42.2177-170.6177.8-175.7-1761.9112.4K51 F52 Y58 K59K51-R55 WeakPolarHBondContact O-CB 3.37Å; K51-R55 PolarHBondContact O-N 2.91Å; F52-R55 WeakPolarHBondContact O-CB 3.47Å; F52-R55 PolarHBondContact O-N 2.84Å; R55-Y58 PolarHBondContact O-N 2.75Å; R55-K59 WeakPolarHBondContact O-CG 3.29Å; R55-K59 PolarHBondContact O-N 3.11Å
56E78.2Confident73.6Confident47 Ų47130.4 Ų130.422%0.2260%0.595CS.*Hα-helixtrans-67.8-35.1176.2-76.1-58.1128.700112.8F52 Y53 A54 K59 R60F52-E56 HydrophobicContact CD1-CG 4.44Å; F52-E56 HydrophobicContact CE1-CG 3.99Å; F52-E56 HydrophobicContact CZ-CG 4.07Å; F52-E56 PolarHBondContact O-N 3.25Å; Y53-E56 PolarHBondContact O-N 3.27Å; A54-E56 PolarHBondContact O-N 2.96Å; E56-K59 PolarHBondContact O-N 3.37Å; E56-K59 WeakPolarHBondContact OE1-CD 3.42Å; E56-K59 IonicContact OE1-NZ 2.75Å; E56-K59 PolarHBondContact OE1-NZ 3.22Å; E56-R60 WeakPolarHBondContact O-CG 3.5Å; E56-R60 PolarHBondContact O-N 3.45Å
57R73.2Confident73.2Confident183 Ų183131.1 Ų131.169%0.69159%0.593SS**Hα-helixtrans-63.1-41.3171.3-77-179-175177.63.6111.6Y53 A54 R60 R61Y53-R57 WeakPolarHBondContact O-CB 3.26Å; Y53-R57 WeakPolarHBondContact O-CG 3.38Å; Y53-R57 PolarHBondContact O-N 2.9Å; A54-R57 WeakPolarHBondContact O-CB 3.41Å; A54-R57 PolarHBondContact O-N 3.02Å; R57-R60 PolarHBondContact O-N 3.42Å; R57-R61 WeakPolarHBondContact O-CG 3.44Å; R57-R61 PolarHBondContact O-N 3.31Å; R57-R61 VanDerWaalsContact O-N 3.11Å
58Y76.1Confident72.9Confident154 Ų154132.3 Ų132.360%0.60460%0.598SS**Hα-helixtrans-61.5-50174.6-80.7-72.8000111.7A54 R55 R60 R61 D62A54-Y58 WeakPolarHBondContact O-CD2 3.49Å; A54-Y58 PolarHBondContact O-N 3.18Å; R55-Y58 PolarHBondContact O-N 2.75Å; Y58-R60 VanDerWaalsContact C-N 3.25Å; Y58-R60 PolarHBondContact O-N 3.04Å; Y58-R61 WeakPolarHBondContact O-CB 3.47Å; Y58-R61 PolarHBondContact O-N 2.98Å; Y58-D62 PolarHBondContact O-N 3.05Å
59K78.9Confident73Confident85 Ų85130.8 Ų130.837%0.3760%0.597SS.*Hα-helixtrans-57.4-36.8176.6-70-179.2-170.6166.70113.1R55 E56 R63R55-K59 WeakPolarHBondContact O-CG 3.29Å; R55-K59 PolarHBondContact O-N 3.11Å; E56-K59 PolarHBondContact O-N 3.37Å; E56-K59 WeakPolarHBondContact OE1-CD 3.42Å; E56-K59 IonicContact OE1-NZ 2.75Å; E56-K59 PolarHBondContact OE1-NZ 3.22Å; K59-R63 PolarHBondContact O-N 3.39Å
60R74.9Confident72.9Confident159 Ų159132.2 Ų132.260%0.660%0.604SS**Hα-helixtrans-65.9-39.2174.7-74.8-179.2-167.5-144.56.3111.7E56 R57 Y58 F64E56-R60 WeakPolarHBondContact O-CG 3.5Å; E56-R60 PolarHBondContact O-N 3.45Å; R57-R60 PolarHBondContact O-N 3.42Å; Y58-R60 VanDerWaalsContact C-N 3.25Å; Y58-R60 PolarHBondContact O-N 3.04Å; R60-F64 WeakPolarHBondContact O-CD2 3.1Å; R60-F64 WeakPolarHBondContact O-CE2 3.01Å
61R70.1Confident72.6Confident183 Ų183136.3 Ų136.369%0.69161%0.612SS**Hα-helixtrans-68.1-40177.7-72.8-177.5179.5-160-0.4112.6R57 Y58 R63 F64 R65R57-R61 WeakPolarHBondContact O-CG 3.44Å; R57-R61 PolarHBondContact O-N 3.31Å; R57-R61 VanDerWaalsContact O-N 3.11Å; Y58-R61 WeakPolarHBondContact O-CB 3.47Å; Y58-R61 PolarHBondContact O-N 2.98Å; R61-R63 VanDerWaalsContact C-N 3.26Å; R61-R63 PolarHBondContact O-N 3.36Å; R61-F64 PolarHBondContact O-N 3.48Å; R61-R65 PolarHBondContact O-N 3.13Å
62D76.6Confident72Confident103 Ų103136.9 Ų136.955%0.55162%0.616SS**Hα-helixtrans-65.9-31.1-179.7-66.1-26.9000112.2Y58 F64 R65Y58-D62 PolarHBondContact O-N 3.05Å; D62-F64 PolarHBondContact O-N 3Å; D62-R65 PolarHBondContact O-N 3.23Å; D62-R65 VanDerWaalsContact O-N 3.13Å
63R65Low71.4Confident166 Ų166140.1 Ų140.163%0.62663%0.632SS**THydrogen-bonded Turntrans-64.9-17.7172.9-74.7-170.2-71.5-112.32.7114.5K59 R61K59-R63 PolarHBondContact O-N 3.39Å; R61-R63 VanDerWaalsContact C-N 3.26Å; R61-R63 PolarHBondContact O-N 3.36Å
64F62.7Low71.3Confident177 Ų177140.2 Ų140.278%0.77664%0.639SS**THydrogen-bonded Turntrans-100.4-0175.3-63.9-73000113.4R60 R61 D62R60-F64 WeakPolarHBondContact O-CD2 3.1Å; R60-F64 WeakPolarHBondContact O-CE2 3.01Å; R61-F64 PolarHBondContact O-N 3.48Å; D62-F64 PolarHBondContact O-N 3Å
65R58.5Low70.5Confident222 Ų222148.4 Ų148.484%0.83866%0.663SS**  trans-99.1-2174.6-92.4-172.6173.8-171.3-2.4113.7R61 D62R61-R65 PolarHBondContact O-N 3.13Å; D62-R65 PolarHBondContact O-N 3.23Å; D62-R65 VanDerWaalsContact O-N 3.13Å
66G52.5Low69.7Low130 Ų130146.3 Ų146.3100%1.3466%0.664SS**  trans-72.8016200000110.4

Retrieved 66 of 66 residues in 211.8 ms (Link to these results)