A0A5K4F8Y0_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F8Y0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 73 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
1M55.1Low70.9Confident233 Ų23393.1 Ų93.1100%1.14850%0.503SS*.  0104.40-153.4167.1-176.500105.5D3M1-D3 PolarHBondContact O-N 2.54Å; M1-D3 VanDerWaalsContact O-N 3.15Å
2F60.4Low71.4Confident79 Ų7996.7 Ų96.735%0.34651%0.514SS..  trans-70.3108.8178.8-177.2-94000107.2E4 L7 I67 N70F2-E4 VanDerWaalsContact C-N 3.34Å; F2-E4 HydrophobicContact CD1-CG 3.88Å; F2-E4 HydrophobicContact CE1-CG 4.17Å; F2-E4 PolarHBondContact O-N 3.04Å; F2-L7 HydrophobicContact CE1-CD2 4.05Å; F2-L7 HydrophobicContact CZ-CB 4.47Å; F2-L7 HydrophobicContact CZ-CD2 4.01Å; F2-I67 HydrophobicContact CE1-CG2 4.47Å; F2-I67 HydrophobicContact CE2-CB 4.47Å; F2-I67 HydrophobicContact CE2-CG2 4.02Å; F2-I67 HydrophobicContact CZ-CB 4.16Å; F2-I67 HydrophobicContact CZ-CG1 4.1Å; F2-I67 HydrophobicContact CZ-CG2 3.61Å; F2-N70 HydrophobicContact CD2-CB 4.09Å; F2-N70 HydrophobicContact CE2-CB 3.93Å
3D67.4Low72Confident91 Ų9194.5 Ų94.549%0.48751%0.511SS..  trans-81.486.1-173.9-139.8-50.6000108.6M1 S5 L6 L7M1-D3 PolarHBondContact O-N 2.54Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-S5 PolarHBondContact O-N 3Å; D3-S5 WeakPolarHBondContact OD1-CB 3.41Å; D3-S5 PolarHBondContact OD1-OG 3.15Å; D3-L6 HydrophobicContact CB-CB 3.97Å; D3-L6 WeakPolarHBondContact O-CB 3.27Å; D3-L6 PolarHBondContact O-N 3.16Å; D3-L7 PolarHBondContact O-N 2.91Å; D3-L7 VanDerWaalsContact O-N 3.16Å
4E71Confident72.4Confident152 Ų15291.4 Ų91.471%0.7149%0.491SS*.Hα-helixtrans-51.5-28.2175.7-66.1-177.199.400111.4F2 L7 A8F2-E4 VanDerWaalsContact C-N 3.34Å; F2-E4 HydrophobicContact CD1-CG 3.88Å; F2-E4 HydrophobicContact CE1-CG 4.17Å; F2-E4 PolarHBondContact O-N 3.04Å; E4-L7 PolarHBondContact O-N 2.88Å; E4-A8 WeakPolarHBondContact O-CB 3.37Å; E4-A8 PolarHBondContact O-N 3.4Å
5S75.9Confident72.6Confident79 Ų7986.4 Ų86.455%0.55246%0.464SS*.Hα-helixtrans-66.4-41.9174.885.30000112.6D3 L7 A8 C9D3-S5 PolarHBondContact O-N 3Å; D3-S5 WeakPolarHBondContact OD1-CB 3.41Å; D3-S5 PolarHBondContact OD1-OG 3.15Å; S5-L7 VanDerWaalsContact C-N 3.3Å; S5-L7 PolarHBondContact O-N 2.89Å; S5-A8 PolarHBondContact O-N 3.39Å; S5-C9 VanDerWaalsContact O-CB 3.27Å; S5-C9 WeakPolarHBondContact O-CB 3.34Å; S5-C9 PolarHBondContact O-N 3.47Å
6L74.1Confident72.9Confident100 Ų10084.6 Ų84.652%0.52445%0.452SS..Hα-helixtrans-65.5-38.7175.8-177.665.5000110.7D3 C9 K10D3-L6 HydrophobicContact CB-CB 3.97Å; D3-L6 WeakPolarHBondContact O-CB 3.27Å; D3-L6 PolarHBondContact O-N 3.16Å; L6-C9 PolarHBondContact O-N 2.95Å; L6-K10 WeakPolarHBondContact O-CG 3.45Å; L6-K10 PolarHBondContact O-N 3.46Å
7L70.3Confident73.3Confident38 Ų3885.9 Ų85.920%0.19946%0.456CS..Hα-helixtrans-64.1-50.6175.417864.4000111.5F2 D3 E4 S5 C9 K10 V11 V63 I67F2-L7 HydrophobicContact CE1-CD2 4.05Å; F2-L7 HydrophobicContact CZ-CB 4.47Å; F2-L7 HydrophobicContact CZ-CD2 4.01Å; D3-L7 PolarHBondContact O-N 2.91Å; D3-L7 VanDerWaalsContact O-N 3.16Å; E4-L7 PolarHBondContact O-N 2.88Å; S5-L7 VanDerWaalsContact C-N 3.3Å; S5-L7 PolarHBondContact O-N 2.89Å; L7-C9 PolarHBondContact O-N 3.23Å; L7-K10 PolarHBondContact O-N 2.93Å; L7-K10 VanDerWaalsContact O-N 3.12Å; L7-V11 HydrophobicContact CD1-CG2 4.34Å; L7-V11 WeakPolarHBondContact O-CG2 3.4Å; L7-V11 PolarHBondContact O-N 3.06Å; L7-V63 HydrophobicContact CD1-CG1 3.52Å; L7-I67 HydrophobicContact CD1-CD1 3.59Å; L7-I67 HydrophobicContact CD1-CG1 3.35Å; L7-I67 HydrophobicContact CD2-CD1 3.38Å; L7-I67 HydrophobicContact CD2-CG1 3.61Å; L7-I67 HydrophobicContact CG-CD1 4.05Å; L7-I67 HydrophobicContact CG-CG1 4.06Å
8A74Confident73.3Confident57 Ų5781.2 Ų81.247%0.47143%0.431SS..Hα-helixtrans-57-41.9177.300000110.9E4 S5 V11 Q12E4-A8 WeakPolarHBondContact O-CB 3.37Å; E4-A8 PolarHBondContact O-N 3.4Å; S5-A8 PolarHBondContact O-N 3.39Å; A8-V11 PolarHBondContact O-N 3.33Å; A8-Q12 VanDerWaalsContact O-CB 3.25Å; A8-Q12 WeakPolarHBondContact O-CB 3.42Å; A8-Q12 PolarHBondContact O-N 3.28Å
9C77.7Confident73.3Confident68 Ų6877.2 Ų77.246%0.45941%0.41SS..Hα-helixtrans-61.8-43.4175.5-175.60000112.6S5 L6 L7 Q12 S13S5-C9 VanDerWaalsContact O-CB 3.27Å; S5-C9 WeakPolarHBondContact O-CB 3.34Å; S5-C9 PolarHBondContact O-N 3.47Å; L6-C9 PolarHBondContact O-N 2.95Å; L7-C9 PolarHBondContact O-N 3.23Å; C9-Q12 PolarHBondContact O-N 2.85Å; C9-S13 VanDerWaalsContact O-CB 3.3Å; C9-S13 WeakPolarHBondContact O-CB 3.25Å; C9-S13 PolarHBondContact O-N 3.4Å; C9-S13 PolarHBondContact O-OG 3.42Å
10K77.4Confident73.5Confident79 Ų7977.5 Ų77.534%0.34341%0.411SS..Hα-helixtrans-63.3-47.1175.6-79.1-178.9173.1-174.10112.1L6 L7 Q12 S13 Q14 Q66L6-K10 WeakPolarHBondContact O-CG 3.45Å; L6-K10 PolarHBondContact O-N 3.46Å; L7-K10 PolarHBondContact O-N 2.93Å; L7-K10 VanDerWaalsContact O-N 3.12Å; K10-Q12 VanDerWaalsContact C-N 3.34Å; K10-Q12 PolarHBondContact O-N 3.47Å; K10-S13 PolarHBondContact O-N 2.93Å; K10-Q14 WeakPolarHBondContact O-CG 3.3Å; K10-Q14 PolarHBondContact O-N 3.22Å; K10-Q66 VanDerWaalsContact NZ-OE1 3.13Å
11V76.2Confident73.7Confident48 Ų4876.6 Ų76.629%0.29141%0.407SS..Hα-helixtrans-60.7-46.3177.9173.90000110.2L7 A8 S13 Q14 F15 V63L7-V11 HydrophobicContact CD1-CG2 4.34Å; L7-V11 WeakPolarHBondContact O-CG2 3.4Å; L7-V11 PolarHBondContact O-N 3.06Å; A8-V11 PolarHBondContact O-N 3.33Å; V11-S13 VanDerWaalsContact C-N 3.35Å; V11-S13 PolarHBondContact O-N 3.12Å; V11-Q14 PolarHBondContact O-N 3.33Å; V11-F15 VanDerWaalsContact O-CB 3.26Å; V11-F15 WeakPolarHBondContact O-CB 3.44Å; V11-F15 PolarHBondContact O-N 3.46Å; V11-V63 HydrophobicContact CG2-CG1 3.79Å
12Q77.8Confident74.6Confident136 Ų13665.6 Ų65.664%0.63635%0.353SS*.Hα-helixtrans-63.2-40.2177.7-173.8176-4.500112A8 C9 K10 F15 Q16A8-Q12 VanDerWaalsContact O-CB 3.25Å; A8-Q12 WeakPolarHBondContact O-CB 3.42Å; A8-Q12 PolarHBondContact O-N 3.28Å; C9-Q12 PolarHBondContact O-N 2.85Å; K10-Q12 VanDerWaalsContact C-N 3.34Å; K10-Q12 PolarHBondContact O-N 3.47Å; Q12-F15 WeakPolarHBondContact O-CB 3.49Å; Q12-F15 PolarHBondContact O-N 2.87Å; Q12-Q16 WeakPolarHBondContact O-CB 3.27Å; Q12-Q16 PolarHBondContact O-N 3.5Å
13S79.5Confident75.3Confident68 Ų6863.8 Ų63.848%0.47635%0.346SS..Hα-helixtrans-65.1-42.7177.2-62.30000112.2C9 K10 V11 Q16 M17C9-S13 VanDerWaalsContact O-CB 3.3Å; C9-S13 WeakPolarHBondContact O-CB 3.25Å; C9-S13 PolarHBondContact O-N 3.4Å; C9-S13 PolarHBondContact O-OG 3.42Å; K10-S13 PolarHBondContact O-N 2.93Å; V11-S13 VanDerWaalsContact C-N 3.35Å; V11-S13 PolarHBondContact O-N 3.12Å; S13-Q16 PolarHBondContact O-N 3.34Å; S13-M17 WeakPolarHBondContact O-CB 3.4Å; S13-M17 PolarHBondContact O-N 3.18Å
14Q76.5Confident75.8Confident51 Ų5165.9 Ų65.924%0.23836%0.356CS..Hα-helixtrans-65.7-40.8174.9-73.4-173.9-6.300111.8K10 V11 Q16 M17 L18 V63K10-Q14 WeakPolarHBondContact O-CG 3.3Å; K10-Q14 PolarHBondContact O-N 3.22Å; V11-Q14 PolarHBondContact O-N 3.33Å; Q14-Q16 VanDerWaalsContact C-N 3.33Å; Q14-Q16 PolarHBondContact O-N 3.14Å; Q14-M17 PolarHBondContact O-N 2.96Å; Q14-L18 PolarHBondContact O-N 3.4Å; Q14-V63 VanDerWaalsContact CD-CG2 3.5Å; Q14-V63 VanDerWaalsContact NE2-CG2 3.33Å
15F75.7Confident76Confident17 Ų1762.1 Ų62.18%0.07534%0.344CS..Hα-helixtrans-59.5-44.8174.9-177.6-90.1000111.7V11 Q12 L18 T19 Q34 N35 F36 L39 W56V11-F15 VanDerWaalsContact O-CB 3.26Å; V11-F15 WeakPolarHBondContact O-CB 3.44Å; V11-F15 PolarHBondContact O-N 3.46Å; Q12-F15 WeakPolarHBondContact O-CB 3.49Å; Q12-F15 PolarHBondContact O-N 2.87Å; F15-L18 PolarHBondContact O-N 2.93Å; F15-T19 PolarHBondContact O-N 2.78Å; F15-T19 PolarHBondContact O-OG1 3.35Å; F15-Q34 WeakPolarHBondContact CE1-O 3.47Å; F15-N35 VanDerWaalsContact CZ-C 3.42Å; F15-N35 WeakPolarHBondContact CZ-O 3.32Å; F15-F36 AromaticContact CD2-CD2 3.82Å; F15-F36 HydrophobicContact CD2-CD2 3.82Å; F15-F36 VanDerWaalsContact CE2-CA 3.43Å; F15-F36 HydrophobicContact CE2-CB 4.08Å; F15-F36 AromaticContact CE2-CD2 3.73Å; F15-F36 HydrophobicContact CE2-CD2 3.73Å; F15-F36 HydrophobicContact CE2-CG 4.23Å; F15-F36 VanDerWaalsContact CZ-CA 3.41Å; F15-F36 HydrophobicContact CZ-CB 4.36Å; F15-L39 HydrophobicContact CD2-CD2 3.52Å; F15-L39 HydrophobicContact CE1-CD2 4.41Å; F15-L39 HydrophobicContact CE2-CB 3.54Å; F15-L39 HydrophobicContact CE2-CD2 3.08Å; F15-L39 HydrophobicContact CE2-CG 3.88Å; F15-L39 HydrophobicContact CG-CD2 4.33Å; F15-L39 HydrophobicContact CZ-CB 3.52Å; F15-L39 HydrophobicContact CZ-CD2 3.58Å; F15-L39 HydrophobicContact CZ-CG 4.17Å; F15-W56 HydrophobicContact CB-CH2 4.21Å; F15-W56 AromaticContact CD2-CH2 3.76Å; F15-W56 HydrophobicContact CD2-CH2 3.76Å; F15-W56 HydrophobicContact CD2-CZ2 4.32Å; F15-W56 HydrophobicContact CD2-CZ3 4.5Å
16Q78.2Confident75.8Confident58 Ų5865.7 Ų65.727%0.27136%0.357SS..Hα-helixtrans-62.2-44.9175.7-169.267.138.800111.5Q12 S13 Q14 L18 T19 N20Q12-Q16 WeakPolarHBondContact O-CB 3.27Å; Q12-Q16 PolarHBondContact O-N 3.5Å; S13-Q16 PolarHBondContact O-N 3.34Å; Q14-Q16 VanDerWaalsContact C-N 3.33Å; Q14-Q16 PolarHBondContact O-N 3.14Å; Q16-L18 PolarHBondContact O-N 2.94Å; Q16-T19 PolarHBondContact O-N 2.92Å; Q16-N20 PolarHBondContact NE2-OD1 3.46Å; Q16-N20 WeakPolarHBondContact O-CB 3.44Å; Q16-N20 PolarHBondContact O-N 3.26Å; Q16-N20 PolarHBondContact O-OD1 3.47Å
17M78.7Confident75.6Confident106 Ų10662.4 Ų62.452%0.52234%0.342SS..Hα-helixtrans-60.6-45.2177.8-177.4179.6-78.700111.5S13 Q14 T19 N20 L21 W55S13-M17 WeakPolarHBondContact O-CB 3.4Å; S13-M17 PolarHBondContact O-N 3.18Å; Q14-M17 PolarHBondContact O-N 2.96Å; M17-T19 VanDerWaalsContact C-N 3.33Å; M17-T19 PolarHBondContact O-N 2.99Å; M17-N20 PolarHBondContact O-N 3.36Å; M17-L21 HydrophobicContact CG-CD1 4.33Å; M17-L21 WeakPolarHBondContact O-CG 3.39Å; M17-L21 PolarHBondContact O-N 3.42Å; M17-W55 HydrophobicContact SD-CH2 4.11Å
18L73.3Confident75.6Confident1 Ų161.3 Ų61.31%0.00534%0.336CS..Hα-helixtrans-62.3-42.6177-178.958.9000111.7Q14 F15 Q16 N20 L21 L22 L39 I43 L52 W55 W56Q14-L18 PolarHBondContact O-N 3.4Å; F15-L18 PolarHBondContact O-N 2.93Å; Q16-L18 PolarHBondContact O-N 2.94Å; L18-N20 VanDerWaalsContact C-N 3.34Å; L18-N20 PolarHBondContact O-N 2.88Å; L18-L21 PolarHBondContact O-N 2.93Å; L18-L22 HydrophobicContact CD1-CD1 4.36Å; L18-L22 HydrophobicContact CD1-CG 4.48Å; L18-L22 HydrophobicContact CG-CD1 4.15Å; L18-L22 WeakPolarHBondContact O-CG 3.34Å; L18-L22 PolarHBondContact O-N 3.26Å; L18-L39 HydrophobicContact CB-CD2 4.35Å; L18-L39 HydrophobicContact CD2-CD1 4.47Å; L18-L39 HydrophobicContact CD2-CD2 3.72Å; L18-L39 HydrophobicContact CD2-CG 4.4Å; L18-L39 HydrophobicContact CG-CD1 4.43Å; L18-L39 HydrophobicContact CG-CD2 4.07Å; L18-I43 HydrophobicContact CD2-CD1 4.01Å; L18-L52 HydrophobicContact CD1-CD2 4.39Å; L18-W55 HydrophobicContact CB-CZ3 4.25Å; L18-W55 HydrophobicContact CD1-CE3 4.08Å; L18-W55 HydrophobicContact CD1-CZ3 4.12Å; L18-W56 HydrophobicContact CB-CE3 4.24Å; L18-W56 HydrophobicContact CB-CZ3 4.41Å; L18-W56 HydrophobicContact CD2-CB 3.74Å; L18-W56 HydrophobicContact CD2-CD2 3.4Å; L18-W56 VanDerWaalsContact CD2-CD2 3.4Å; L18-W56 HydrophobicContact CD2-CE3 3.18Å; L18-W56 HydrophobicContact CD2-CG 3.67Å; L18-W56 HydrophobicContact CD2-CZ3 3.92Å; L18-W56 HydrophobicContact CG-CE3 4.3Å
19T73.2Confident75.3Confident5 Ų562.2 Ų62.23%0.03134%0.337CS..Hα-helixtrans-61.6-44.7177.5-55.70000110.9F15 Q16 M17 L21 L22 I23 Q34F15-T19 PolarHBondContact O-N 2.78Å; F15-T19 PolarHBondContact O-OG1 3.35Å; Q16-T19 PolarHBondContact O-N 2.92Å; M17-T19 VanDerWaalsContact C-N 3.33Å; M17-T19 PolarHBondContact O-N 2.99Å; T19-L21 PolarHBondContact O-N 3.49Å; T19-L22 PolarHBondContact O-N 2.86Å; T19-I23 HydrophobicContact CG2-CD1 4.15Å; T19-I23 WeakPolarHBondContact O-CG1 3.48Å; T19-I23 PolarHBondContact O-N 3.49Å; T19-Q34 HydrophobicContact CG2-CG 4.03Å
20N78.5Confident74.9Confident83 Ų8363.9 Ų63.944%0.44435%0.347SS..Hα-helixtrans-62-41.8175.9-69.7-11000112Q16 M17 L18 L22 I23 L24Q16-N20 PolarHBondContact NE2-OD1 3.46Å; Q16-N20 WeakPolarHBondContact O-CB 3.44Å; Q16-N20 PolarHBondContact O-N 3.26Å; Q16-N20 PolarHBondContact O-OD1 3.47Å; M17-N20 PolarHBondContact O-N 3.36Å; L18-N20 VanDerWaalsContact C-N 3.34Å; L18-N20 PolarHBondContact O-N 2.88Å; N20-L22 VanDerWaalsContact C-N 3.33Å; N20-L22 PolarHBondContact O-N 3.28Å; N20-I23 PolarHBondContact O-N 3.41Å; N20-L24 WeakPolarHBondContact O-CB 3.46Å; N20-L24 PolarHBondContact O-N 2.92Å
21L76.8Confident74.4Confident60 Ų6068.9 Ų68.931%0.31437%0.372SS..Hα-helixtrans-61.6-41.6175.5-76.4170.5000111.7M17 L18 T19 L24 V25 W55M17-L21 HydrophobicContact CG-CD1 4.33Å; M17-L21 WeakPolarHBondContact O-CG 3.39Å; M17-L21 PolarHBondContact O-N 3.42Å; L18-L21 PolarHBondContact O-N 2.93Å; T19-L21 PolarHBondContact O-N 3.49Å; L21-L24 WeakPolarHBondContact O-CB 3.45Å; L21-L24 PolarHBondContact O-N 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.26Å; L21-V25 PolarHBondContact O-N 2.9Å; L21-W55 HydrophobicContact CD1-CH2 4.37Å; L21-W55 HydrophobicContact CD1-CZ3 4.38Å
22L74.7Confident73.8Confident2 Ų267.9 Ų67.91%0.0137%0.366CS..Hα-helixtrans-67.4-35.9177.6-77.3166.2000113.3L18 T19 N20 L24 V25 N26 C27 L28 L39 F42 L52L18-L22 HydrophobicContact CD1-CD1 4.36Å; L18-L22 HydrophobicContact CD1-CG 4.48Å; L18-L22 HydrophobicContact CG-CD1 4.15Å; L18-L22 WeakPolarHBondContact O-CG 3.34Å; L18-L22 PolarHBondContact O-N 3.26Å; T19-L22 PolarHBondContact O-N 2.86Å; N20-L22 VanDerWaalsContact C-N 3.33Å; N20-L22 PolarHBondContact O-N 3.28Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-V25 HydrophobicContact CD2-CG2 4.41Å; L22-N26 PolarHBondContact O-N 3.48Å; L22-C27 HydrophobicContact CB-CB 4.41Å; L22-C27 HydrophobicContact CD2-CB 3.68Å; L22-C27 WeakPolarHBondContact O-CA 3.38Å; L22-C27 WeakPolarHBondContact O-CB 3.38Å; L22-C27 PolarHBondContact O-N 3.31Å; L22-L28 HydrophobicContact CB-CB 4.23Å; L22-L28 HydrophobicContact CB-CD1 3.69Å; L22-L28 HydrophobicContact CB-CG 4.15Å; L22-L28 HydrophobicContact CD1-CD1 3.68Å; L22-L28 HydrophobicContact CG-CD1 4.3Å; L22-L28 PolarHBondContact O-N 3.44Å; L22-L28 VanDerWaalsContact O-N 3.16Å; L22-L39 HydrophobicContact CD1-CD1 3.14Å; L22-F42 HydrophobicContact CD1-CD1 4.07Å; L22-F42 HydrophobicContact CD1-CE1 4.37Å; L22-F42 HydrophobicContact CD2-CD1 4.06Å; L22-F42 HydrophobicContact CD2-CE1 3.53Å; L22-F42 HydrophobicContact CD2-CZ 4.44Å; L22-L52 HydrophobicContact CD2-CD1 3.34Å; L22-L52 HydrophobicContact CG-CD1 4.07Å
23I75.6Confident73Confident40 Ų4064.9 Ų64.921%0.20536%0.359CS..Hα-helixtrans-64.3-44.4170.9-65.5163.8000109.5T19 N20 V25 N26 L28 P30T19-I23 HydrophobicContact CG2-CD1 4.15Å; T19-I23 WeakPolarHBondContact O-CG1 3.48Å; T19-I23 PolarHBondContact O-N 3.49Å; N20-I23 PolarHBondContact O-N 3.41Å; I23-V25 VanDerWaalsContact C-N 3.33Å; I23-V25 PolarHBondContact O-N 2.93Å; I23-N26 PolarHBondContact O-N 3.39Å; I23-L28 WeakPolarHBondContact CA-O 3.37Å; I23-L28 HydrophobicContact CG1-CB 4.18Å; I23-P30 HydrophobicContact CG2-CB 4.04Å
24L77.3Confident72.4Confident135 Ų13565.7 Ų65.771%0.70736%0.355SS*.Hα-helixtrans-60.8-39.1179.5-172.172.8000112.6N20 L21 L22 N26N20-L24 WeakPolarHBondContact O-CB 3.46Å; N20-L24 PolarHBondContact O-N 2.92Å; L21-L24 WeakPolarHBondContact O-CB 3.45Å; L21-L24 PolarHBondContact O-N 3.27Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L24-N26 PolarHBondContact O-N 3Å
25V75.5Confident71.9Confident74 Ų7468 Ų6845%0.44837%0.369SS..THydrogen-bonded Turntrans-84.616177.1-60.20000113.5L21 L22 I23 C27 L52L21-V25 WeakPolarHBondContact O-CG2 3.26Å; L21-V25 PolarHBondContact O-N 2.9Å; L22-V25 HydrophobicContact CD2-CG2 4.41Å; I23-V25 VanDerWaalsContact C-N 3.33Å; I23-V25 PolarHBondContact O-N 2.93Å; V25-C27 HydrophobicContact CG2-CB 3.79Å; V25-C27 VanDerWaalsContact CG2-SG 3.52Å; V25-C27 PolarHBondContact O-N 3.02Å; V25-C27 VanDerWaalsContact O-N 3.09Å; V25-L52 HydrophobicContact CG2-CD1 3.96Å
26N71.6Confident71.5Confident153 Ų15372.5 Ų72.582%0.81839%0.389SS*.THydrogen-bonded Turntrans54.623.9-177.9-66.9-48.4000114.5L22 I23 L24L22-N26 PolarHBondContact O-N 3.48Å; I23-N26 PolarHBondContact O-N 3.39Å; L24-N26 PolarHBondContact O-N 3Å
27C68.6Low71.2Confident32 Ų3274.2 Ų74.222%0.21640%0.403CS..SBendtrans-85.9-29.4179-78.40000112L22 V25 F42L22-C27 HydrophobicContact CB-CB 4.41Å; L22-C27 HydrophobicContact CD2-CB 3.68Å; L22-C27 WeakPolarHBondContact O-CA 3.38Å; L22-C27 WeakPolarHBondContact O-CB 3.38Å; L22-C27 PolarHBondContact O-N 3.31Å; V25-C27 HydrophobicContact CG2-CB 3.79Å; V25-C27 VanDerWaalsContact CG2-SG 3.52Å; V25-C27 PolarHBondContact O-N 3.02Å; V25-C27 VanDerWaalsContact O-N 3.09Å; C27-F42 HydrophobicContact CB-CE1 3.94Å; C27-F42 HydrophobicContact CB-CE2 4.49Å; C27-F42 HydrophobicContact CB-CZ 3.56Å; C27-F42 WeakPolarHBondContact O-CE2 3.39Å; C27-F42 VanDerWaalsContact O-CZ 3.27Å; C27-F42 WeakPolarHBondContact O-CZ 3.41Å
28L70.2Confident70.8Confident14 Ų1470.9 Ų70.97%0.07339%0.389CS..SBendtrans-123.5138.1174.7-82.2167.7000110.4L22 I23 C32 L39 F42L22-L28 HydrophobicContact CB-CB 4.23Å; L22-L28 HydrophobicContact CB-CD1 3.69Å; L22-L28 HydrophobicContact CB-CG 4.15Å; L22-L28 HydrophobicContact CD1-CD1 3.68Å; L22-L28 HydrophobicContact CG-CD1 4.3Å; L22-L28 PolarHBondContact O-N 3.44Å; L22-L28 VanDerWaalsContact O-N 3.16Å; I23-L28 WeakPolarHBondContact CA-O 3.37Å; I23-L28 HydrophobicContact CG1-CB 4.18Å; L28-C32 HydrophobicContact CD2-CB 4.04Å; L28-C32 VanDerWaalsContact CD2-SG 3.59Å; L28-L39 HydrophobicContact CD1-CD1 3.97Å; L28-F42 HydrophobicContact CD1-CD1 4.4Å; L28-F42 HydrophobicContact CD1-CG 4.34Å; L28-F42 HydrophobicContact CD2-CB 4.3Å; L28-F42 HydrophobicContact CD2-CD2 3.77Å; L28-F42 HydrophobicContact CD2-CE2 4.37Å; L28-F42 HydrophobicContact CD2-CG 3.98Å; L28-F42 HydrophobicContact CG-CD1 4.35Å; L28-F42 HydrophobicContact CG-CD2 4.08Å; L28-F42 HydrophobicContact CG-CE2 4.36Å; L28-F42 HydrophobicContact CG-CG 4.1Å
29P67.7Low70.6Confident77 Ų7771 Ų7150%0.539%0.389SS..  trans-64.2145.1171.525.4-30.1000109.6Q31 C32P29-Q31 PolarHBondContact O-N 2.92Å; P29-C32 HydrophobicContact CG-CB 4Å; P29-C32 VanDerWaalsContact O-CB 3.23Å; P29-C32 WeakPolarHBondContact O-CB 3.34Å; P29-C32 PolarHBondContact O-N 3.44Å
30P69.6Low70.5Confident102 Ų10273.4 Ų73.466%0.66240%0.402SS*.THydrogen-bonded Turntrans-62.1-16.9-179.524.9-34.4000113.3I23I23-P30 HydrophobicContact CG2-CB 4.04Å
31Q67.3Low70.3Confident185 Ų18574.3 Ų74.386%0.86441%0.407SS*.THydrogen-bonded Turntrans-91.85.7176.5-60.7-1790.200113.2P29P29-Q31 PolarHBondContact O-N 2.92Å
32C63.2Low70Confident26 Ų2672.6 Ų72.618%0.17640%0.397CS..SBendtrans-69.5131.7-179.6-1480000109.9L28 P29 Q34 T38L28-C32 HydrophobicContact CD2-CB 4.04Å; L28-C32 VanDerWaalsContact CD2-SG 3.59Å; P29-C32 HydrophobicContact CG-CB 4Å; P29-C32 VanDerWaalsContact O-CB 3.23Å; P29-C32 WeakPolarHBondContact O-CB 3.34Å; P29-C32 PolarHBondContact O-N 3.44Å; C32-Q34 PolarHBondContact O-N 3.2Å; C32-Q34 VanDerWaalsContact O-N 3.12Å; C32-T38 WeakPolarHBondContact SG-CG2 3.33Å
33P62.5Low69.8Low73 Ų7373 Ų7347%0.47440%0.399SS..  trans-58.6121.9178.219.8-29.7000109.7N35 T38P33-N35 PolarHBondContact O-N 2.91Å; P33-T38 HydrophobicContact CG-CG2 4.22Å; P33-T38 WeakPolarHBondContact O-CB 3.4Å; P33-T38 PolarHBondContact O-OG1 2.83Å
34Q66.2Low69.5Low86 Ų8677.6 Ų77.640%0.40242%0.421SS..  trans-73.750.8-179.7-56.8-176.9-27.500111F15 T19 C32F15-Q34 WeakPolarHBondContact CE1-O 3.47Å; T19-Q34 HydrophobicContact CG2-CG 4.03Å; C32-Q34 PolarHBondContact O-N 3.2Å; C32-Q34 VanDerWaalsContact O-N 3.12Å
35N66.5Low69.1Low100 Ų10073 Ų7354%0.53540%0.401SS..  trans-106.5141.4-178.4-70.4-13.2000109.2F15 P33 V37 T38 L39F15-N35 VanDerWaalsContact CZ-C 3.42Å; F15-N35 WeakPolarHBondContact CZ-O 3.32Å; P33-N35 PolarHBondContact O-N 2.91Å; N35-V37 PolarHBondContact O-N 3.29Å; N35-V37 VanDerWaalsContact O-N 3.09Å; N35-T38 WeakPolarHBondContact O-CB 3.4Å; N35-T38 PolarHBondContact O-N 2.96Å; N35-L39 PolarHBondContact O-N 2.77Å
36F66.2Low68.6Low110 Ų11079.8 Ų79.848%0.48242%0.424SS..Hα-helixtrans-49.7-40179.6-171.1-92.2000112.9F15 T38 L39 N40 W56F15-F36 AromaticContact CD2-CD2 3.82Å; F15-F36 HydrophobicContact CD2-CD2 3.82Å; F15-F36 VanDerWaalsContact CE2-CA 3.43Å; F15-F36 HydrophobicContact CE2-CB 4.08Å; F15-F36 AromaticContact CE2-CD2 3.73Å; F15-F36 HydrophobicContact CE2-CD2 3.73Å; F15-F36 HydrophobicContact CE2-CG 4.23Å; F15-F36 VanDerWaalsContact CZ-CA 3.41Å; F15-F36 HydrophobicContact CZ-CB 4.36Å; F36-T38 PolarHBondContact O-N 2.95Å; F36-L39 PolarHBondContact O-N 3.02Å; F36-N40 HydrophobicContact CE1-CB 4.44Å; F36-N40 WeakPolarHBondContact O-CB 3.37Å; F36-N40 PolarHBondContact O-N 3.33Å; F36-W56 AromaticContact CE2-CZ2 3.89Å; F36-W56 HydrophobicContact CE2-CZ2 3.89Å
37V72.1Confident68.3Low95 Ų9577.1 Ų77.158%0.57641%0.414SS*.Hα-helixtrans-60.4-46.5177.9-173.80000112N35 N40 N41N35-V37 PolarHBondContact O-N 3.29Å; N35-V37 VanDerWaalsContact O-N 3.09Å; V37-N40 PolarHBondContact O-N 3.12Å; V37-N41 WeakPolarHBondContact O-CB 3.46Å; V37-N41 PolarHBondContact O-N 3.21Å
38T70.4Confident68.2Low35 Ų3576 Ų7622%0.21541%0.406CS..Hα-helixtrans-65.1-45.7-177.8-45.60000111.2C32 P33 N35 F36 N41 F42C32-T38 WeakPolarHBondContact SG-CG2 3.33Å; P33-T38 HydrophobicContact CG-CG2 4.22Å; P33-T38 WeakPolarHBondContact O-CB 3.4Å; P33-T38 PolarHBondContact O-OG1 2.83Å; N35-T38 WeakPolarHBondContact O-CB 3.4Å; N35-T38 PolarHBondContact O-N 2.96Å; F36-T38 PolarHBondContact O-N 2.95Å; T38-N41 PolarHBondContact O-N 3.09Å; T38-F42 WeakPolarHBondContact O-CB 3.48Å; T38-F42 PolarHBondContact O-N 3.19Å
39L69.3Low68.1Low4 Ų477.6 Ų77.62%0.02142%0.417CS..Hα-helixtrans-66.3-42.2178.6-173.666.1000111.1F15 L18 L22 L28 N35 F36 F42 I43F15-L39 HydrophobicContact CD2-CD2 3.52Å; F15-L39 HydrophobicContact CE1-CD2 4.41Å; F15-L39 HydrophobicContact CE2-CB 3.54Å; F15-L39 HydrophobicContact CE2-CD2 3.08Å; F15-L39 HydrophobicContact CE2-CG 3.88Å; F15-L39 HydrophobicContact CG-CD2 4.33Å; F15-L39 HydrophobicContact CZ-CB 3.52Å; F15-L39 HydrophobicContact CZ-CD2 3.58Å; F15-L39 HydrophobicContact CZ-CG 4.17Å; L18-L39 HydrophobicContact CB-CD2 4.35Å; L18-L39 HydrophobicContact CD2-CD1 4.47Å; L18-L39 HydrophobicContact CD2-CD2 3.72Å; L18-L39 HydrophobicContact CD2-CG 4.4Å; L18-L39 HydrophobicContact CG-CD1 4.43Å; L18-L39 HydrophobicContact CG-CD2 4.07Å; L22-L39 HydrophobicContact CD1-CD1 3.14Å; L28-L39 HydrophobicContact CD1-CD1 3.97Å; N35-L39 PolarHBondContact O-N 2.77Å; F36-L39 PolarHBondContact O-N 3.02Å; L39-F42 WeakPolarHBondContact O-CB 3.5Å; L39-F42 PolarHBondContact O-N 2.87Å; L39-F42 VanDerWaalsContact O-N 3.16Å; L39-I43 HydrophobicContact CD1-CD1 4.45Å; L39-I43 HydrophobicContact CD2-CD1 4.43Å; L39-I43 HydrophobicContact CG-CD1 3.91Å; L39-I43 HydrophobicContact CG-CG1 4.45Å; L39-I43 WeakPolarHBondContact O-CB 3.45Å; L39-I43 VanDerWaalsContact O-CG1 3.25Å; L39-I43 WeakPolarHBondContact O-CG1 3.44Å; L39-I43 PolarHBondContact O-N 2.97Å
40N70.4Confident68.3Low56 Ų5682.8 Ų82.830%0.29943%0.432SS..Hα-helixtrans-63.8-42.9177.5-166.131.5000111.3F36 V37 F42 I43 M44F36-N40 HydrophobicContact CE1-CB 4.44Å; F36-N40 WeakPolarHBondContact O-CB 3.37Å; F36-N40 PolarHBondContact O-N 3.33Å; V37-N40 PolarHBondContact O-N 3.12Å; N40-F42 VanDerWaalsContact C-N 3.29Å; N40-F42 PolarHBondContact O-N 3.46Å; N40-I43 PolarHBondContact O-N 3.48Å; N40-M44 WeakPolarHBondContact O-CB 3.23Å; N40-M44 WeakPolarHBondContact O-CG 3.37Å; N40-M44 PolarHBondContact O-N 3.31Å
41N74.2Confident68.5Low102 Ų10284.1 Ų84.155%0.54543%0.433SS..Hα-helixtrans-61.7-38.3173-73.6-9.3000111.7V37 T38 M44 S45V37-N41 WeakPolarHBondContact O-CB 3.46Å; V37-N41 PolarHBondContact O-N 3.21Å; T38-N41 PolarHBondContact O-N 3.09Å; N41-M44 PolarHBondContact O-N 3.23Å; N41-S45 WeakPolarHBondContact O-CB 3.29Å; N41-S45 PolarHBondContact O-N 3.26Å
42F71.5Confident68.7Low23 Ų2376.5 Ų76.510%0.10140%0.397CS..Hα-helixtrans-67-45.1176.3-175.8-92.4000112.3L22 C27 L28 T38 L39 N40 M44 S45 T47 A48L22-F42 HydrophobicContact CD1-CD1 4.07Å; L22-F42 HydrophobicContact CD1-CE1 4.37Å; L22-F42 HydrophobicContact CD2-CD1 4.06Å; L22-F42 HydrophobicContact CD2-CE1 3.53Å; L22-F42 HydrophobicContact CD2-CZ 4.44Å; C27-F42 HydrophobicContact CB-CE1 3.94Å; C27-F42 HydrophobicContact CB-CE2 4.49Å; C27-F42 HydrophobicContact CB-CZ 3.56Å; C27-F42 WeakPolarHBondContact O-CE2 3.39Å; C27-F42 VanDerWaalsContact O-CZ 3.27Å; C27-F42 WeakPolarHBondContact O-CZ 3.41Å; L28-F42 HydrophobicContact CD1-CD1 4.4Å; L28-F42 HydrophobicContact CD1-CG 4.34Å; L28-F42 HydrophobicContact CD2-CB 4.3Å; L28-F42 HydrophobicContact CD2-CD2 3.77Å; L28-F42 HydrophobicContact CD2-CE2 4.37Å; L28-F42 HydrophobicContact CD2-CG 3.98Å; L28-F42 HydrophobicContact CG-CD1 4.35Å; L28-F42 HydrophobicContact CG-CD2 4.08Å; L28-F42 HydrophobicContact CG-CE2 4.36Å; L28-F42 HydrophobicContact CG-CG 4.1Å; T38-F42 WeakPolarHBondContact O-CB 3.48Å; T38-F42 PolarHBondContact O-N 3.19Å; L39-F42 WeakPolarHBondContact O-CB 3.5Å; L39-F42 PolarHBondContact O-N 2.87Å; L39-F42 VanDerWaalsContact O-N 3.16Å; N40-F42 VanDerWaalsContact C-N 3.29Å; N40-F42 PolarHBondContact O-N 3.46Å; F42-M44 VanDerWaalsContact C-N 3.3Å; F42-M44 PolarHBondContact O-N 2.94Å; F42-S45 CarbonylContact O-C 3.58Å; F42-S45 WeakPolarHBondContact O-CB 3.4Å; F42-S45 PolarHBondContact O-N 3.47Å; F42-S45 VanDerWaalsContact O-N 3.14Å; F42-S45 PolarHBondContact O-OG 3Å; F42-T47 HydrophobicContact CE2-CG2 4.32Å; F42-T47 HydrophobicContact CZ-CG2 4.37Å; F42-A48 HydrophobicContact CD1-CB 3.91Å; F42-A48 HydrophobicContact CE1-CB 3.54Å; F42-A48 HydrophobicContact CZ-CB 4.38Å
43I69Low69Low12 Ų1277.1 Ų77.16%0.06240%0.399CS..Hα-helixtrans-61-40.3175.5-72169.4000110.7L18 L39 N40 S45 I53 W56L18-I43 HydrophobicContact CD2-CD1 4.01Å; L39-I43 HydrophobicContact CD1-CD1 4.45Å; L39-I43 HydrophobicContact CD2-CD1 4.43Å; L39-I43 HydrophobicContact CG-CD1 3.91Å; L39-I43 HydrophobicContact CG-CG1 4.45Å; L39-I43 WeakPolarHBondContact O-CB 3.45Å; L39-I43 VanDerWaalsContact O-CG1 3.25Å; L39-I43 WeakPolarHBondContact O-CG1 3.44Å; L39-I43 PolarHBondContact O-N 2.97Å; N40-I43 PolarHBondContact O-N 3.48Å; I43-S45 VanDerWaalsContact C-N 3.34Å; I43-I53 HydrophobicContact CG2-CB 4.41Å; I43-I53 HydrophobicContact CG2-CD1 4.39Å; I43-I53 HydrophobicContact CG2-CG1 4.02Å; I43-I53 HydrophobicContact CG2-CG2 3.96Å; I43-I53 VanDerWaalsContact O-CD1 3.3Å; I43-I53 WeakPolarHBondContact O-CD1 3.33Å; I43-W56 HydrophobicContact CD1-CD2 4.41Å; I43-W56 HydrophobicContact CD1-CG 3.95Å
44M70.6Confident69.7Low135 Ų13579.9 Ų79.967%0.66540%0.403SS*.Hα-helixtrans-72.2-29.1175.8-71.2-68.1-174.900112.4N40 N41 F42 K46N40-M44 WeakPolarHBondContact O-CB 3.23Å; N40-M44 WeakPolarHBondContact O-CG 3.37Å; N40-M44 PolarHBondContact O-N 3.31Å; N41-M44 PolarHBondContact O-N 3.23Å; F42-M44 VanDerWaalsContact C-N 3.3Å; F42-M44 PolarHBondContact O-N 2.94Å; M44-K46 PolarHBondContact O-N 2.95Å
45S68.5Low70.2Confident40 Ų4080.1 Ų80.128%0.2840%0.4SS..SBendtrans-68.8130.8170.386.50000108.6N41 F42 I43 T47 A48N41-S45 WeakPolarHBondContact O-CB 3.29Å; N41-S45 PolarHBondContact O-N 3.26Å; F42-S45 CarbonylContact O-C 3.58Å; F42-S45 WeakPolarHBondContact O-CB 3.4Å; F42-S45 PolarHBondContact O-N 3.47Å; F42-S45 VanDerWaalsContact O-N 3.14Å; F42-S45 PolarHBondContact O-OG 3Å; I43-S45 VanDerWaalsContact C-N 3.34Å; S45-T47 PolarHBondContact O-N 3.32Å; S45-T47 PolarHBondContact OG-OG1 3.47Å; S45-A48 PolarHBondContact O-N 3.39Å
46K64.1Low70.5Confident215 Ų21575.8 Ų75.894%0.93538%0.377SS*.THydrogen-bonded Turntrans-602.3-177.2-66.5-177.9177.5177.60114.8M44M44-K46 PolarHBondContact O-N 2.95Å
47T65.4Low71Confident98 Ų9875.9 Ų75.960%0.60138%0.377SS*.THydrogen-bonded Turntrans-78.7-24.3-179.9-32.40000112.3F42 S45 P49F42-T47 HydrophobicContact CE2-CG2 4.32Å; F42-T47 HydrophobicContact CZ-CG2 4.37Å; S45-T47 PolarHBondContact O-N 3.32Å; S45-T47 PolarHBondContact OG-OG1 3.47Å; T47-P49 WeakPolarHBondContact O-CD 3.33Å
48A66.3Low71.3Confident8 Ų875.6 Ų75.67%0.06637%0.37CS..SBendtrans-71.8130.2177.600000110.7F42 S45 K50 I53F42-A48 HydrophobicContact CD1-CB 3.91Å; F42-A48 HydrophobicContact CE1-CB 3.54Å; F42-A48 HydrophobicContact CZ-CB 4.38Å; S45-A48 PolarHBondContact O-N 3.39Å; A48-K50 PolarHBondContact O-N 3.5Å; A48-I53 HydrophobicContact CB-CD1 4.07Å; A48-I53 HydrophobicContact CB-CG1 3.93Å
49P69.2Low71.5Confident47 Ų4774.4 Ų74.431%0.30536%0.363SS..  trans-50.9124.8169.5-26.532.3000110.2T47 I51 L52 I53T47-P49 WeakPolarHBondContact O-CD 3.33Å; P49-I51 HydrophobicContact CB-CG2 3.85Å; P49-I51 PolarHBondContact O-N 3.25Å; P49-L52 HydrophobicContact CB-CB 4.5Å; P49-L52 HydrophobicContact CB-CD1 4.21Å; P49-L52 HydrophobicContact CB-CG 4.18Å; P49-L52 HydrophobicContact CG-CD1 3.87Å; P49-L52 HydrophobicContact CG-CG 4.39Å; P49-L52 WeakPolarHBondContact O-CB 3.46Å; P49-L52 PolarHBondContact O-N 3.21Å; P49-I53 PolarHBondContact O-N 2.9Å
50K72.7Confident71.7Confident187 Ų18776.4 Ų76.481%0.81337%0.373SS*.Hα-helixtrans-50-30.7178.9-70.3-177.6179178.50112.7A48 I53 K54A48-K50 PolarHBondContact O-N 3.5Å; K50-I53 PolarHBondContact O-N 3.48Å; K50-K54 WeakPolarHBondContact O-CB 3.23Å; K50-K54 PolarHBondContact O-N 2.79Å
51I73.7Confident72.1Confident130 Ų13079.1 Ų79.167%0.66738%0.384SS*.Hα-helixtrans-63.8-39176.5-160.5161.2000112.5P49 K54 W55P49-I51 HydrophobicContact CB-CG2 3.85Å; P49-I51 PolarHBondContact O-N 3.25Å; I51-K54 PolarHBondContact O-N 3.25Å; I51-W55 VanDerWaalsContact O-CB 3.23Å; I51-W55 WeakPolarHBondContact O-CB 3.43Å; I51-W55 PolarHBondContact O-N 2.89Å
52L70.6Confident72.2Confident24 Ų2479.3 Ų79.313%0.12638%0.384CS..Hα-helixtrans-72.7-37.2177.5-68.5178.1000111.3L18 L22 V25 P49 W56L18-L52 HydrophobicContact CD1-CD2 4.39Å; L22-L52 HydrophobicContact CD2-CD1 3.34Å; L22-L52 HydrophobicContact CG-CD1 4.07Å; V25-L52 HydrophobicContact CG2-CD1 3.96Å; P49-L52 HydrophobicContact CB-CB 4.5Å; P49-L52 HydrophobicContact CB-CD1 4.21Å; P49-L52 HydrophobicContact CB-CG 4.18Å; P49-L52 HydrophobicContact CG-CD1 3.87Å; P49-L52 HydrophobicContact CG-CG 4.39Å; P49-L52 WeakPolarHBondContact O-CB 3.46Å; P49-L52 PolarHBondContact O-N 3.21Å; L52-W56 VanDerWaalsContact O-CB 3.29Å; L52-W56 WeakPolarHBondContact O-CB 3.42Å; L52-W56 PolarHBondContact O-N 3.48Å
53I70.5Confident72.2Confident40 Ų4078.4 Ų78.421%0.20538%0.381CS..Hα-helixtrans-61.5-50.5172.5-53.3-176.3000109.9I43 A48 P49 K50 W55 W56 F57I43-I53 HydrophobicContact CG2-CB 4.41Å; I43-I53 HydrophobicContact CG2-CD1 4.39Å; I43-I53 HydrophobicContact CG2-CG1 4.02Å; I43-I53 HydrophobicContact CG2-CG2 3.96Å; I43-I53 VanDerWaalsContact O-CD1 3.3Å; I43-I53 WeakPolarHBondContact O-CD1 3.33Å; A48-I53 HydrophobicContact CB-CD1 4.07Å; A48-I53 HydrophobicContact CB-CG1 3.93Å; P49-I53 PolarHBondContact O-N 2.9Å; K50-I53 PolarHBondContact O-N 3.48Å; I53-W55 PolarHBondContact O-N 3.4Å; I53-W56 WeakPolarHBondContact O-CB 3.17Å; I53-W56 PolarHBondContact O-N 2.94Å; I53-F57 HydrophobicContact CG2-CD2 3.8Å; I53-F57 HydrophobicContact CG2-CE2 3.79Å; I53-F57 VanDerWaalsContact O-CD2 3.32Å; I53-F57 WeakPolarHBondContact O-CD2 3.41Å; I53-F57 PolarHBondContact O-N 2.95Å
54K76.1Confident72.3Confident130 Ų13083.7 Ų83.757%0.56541%0.405SS*.Hα-helixtrans-58.9-48.1178.8-177177.7171.8-177.60111.3K50 I51 W56 F57 E58K50-K54 WeakPolarHBondContact O-CB 3.23Å; K50-K54 PolarHBondContact O-N 2.79Å; I51-K54 PolarHBondContact O-N 3.25Å; K54-W56 VanDerWaalsContact C-N 3.31Å; K54-W56 PolarHBondContact O-N 3.5Å; K54-F57 PolarHBondContact O-N 2.91Å; K54-E58 WeakPolarHBondContact CE-OE1 3.48Å; K54-E58 IonicContact NZ-OE1 3.82Å; K54-E58 WeakPolarHBondContact O-CG 3.25Å; K54-E58 PolarHBondContact O-N 2.88Å
55W76.2Confident72.6Confident91 Ų9181.5 Ų81.535%0.34540%0.396SS..Hα-helixtrans-61.4-38.8178.6-174.284.7000112.5M17 L18 L21 I51 I53 S59M17-W55 HydrophobicContact SD-CH2 4.11Å; L18-W55 HydrophobicContact CB-CZ3 4.25Å; L18-W55 HydrophobicContact CD1-CE3 4.08Å; L18-W55 HydrophobicContact CD1-CZ3 4.12Å; L21-W55 HydrophobicContact CD1-CH2 4.37Å; L21-W55 HydrophobicContact CD1-CZ3 4.38Å; I51-W55 VanDerWaalsContact O-CB 3.23Å; I51-W55 WeakPolarHBondContact O-CB 3.43Å; I51-W55 PolarHBondContact O-N 2.89Å; I53-W55 PolarHBondContact O-N 3.4Å; W55-S59 WeakPolarHBondContact O-CB 3.46Å; W55-S59 PolarHBondContact O-N 2.91Å; W55-S59 PolarHBondContact O-OG 3.49Å
56W73.7Confident72.6Confident9 Ų983.6 Ų83.63%0.03440%0.401CS..Hα-helixtrans-61.8-48.7174.3175.7-114.7000112.3F15 L18 F36 I43 L52 I53 K54 E58 S59 L60F15-W56 HydrophobicContact CB-CH2 4.21Å; F15-W56 AromaticContact CD2-CH2 3.76Å; F15-W56 HydrophobicContact CD2-CH2 3.76Å; F15-W56 HydrophobicContact CD2-CZ2 4.32Å; F15-W56 HydrophobicContact CD2-CZ3 4.5Å; L18-W56 HydrophobicContact CB-CE3 4.24Å; L18-W56 HydrophobicContact CB-CZ3 4.41Å; L18-W56 HydrophobicContact CD2-CB 3.74Å; L18-W56 HydrophobicContact CD2-CD2 3.4Å; L18-W56 VanDerWaalsContact CD2-CD2 3.4Å; L18-W56 HydrophobicContact CD2-CE3 3.18Å; L18-W56 HydrophobicContact CD2-CG 3.67Å; L18-W56 HydrophobicContact CD2-CZ3 3.92Å; L18-W56 HydrophobicContact CG-CE3 4.3Å; F36-W56 AromaticContact CE2-CZ2 3.89Å; F36-W56 HydrophobicContact CE2-CZ2 3.89Å; I43-W56 HydrophobicContact CD1-CD2 4.41Å; I43-W56 HydrophobicContact CD1-CG 3.95Å; L52-W56 VanDerWaalsContact O-CB 3.29Å; L52-W56 WeakPolarHBondContact O-CB 3.42Å; L52-W56 PolarHBondContact O-N 3.48Å; I53-W56 WeakPolarHBondContact O-CB 3.17Å; I53-W56 PolarHBondContact O-N 2.94Å; K54-W56 VanDerWaalsContact C-N 3.31Å; K54-W56 PolarHBondContact O-N 3.5Å; W56-E58 PolarHBondContact O-N 2.87Å; W56-S59 PolarHBondContact O-N 3.42Å; W56-L60 HydrophobicContact CD2-CD1 4.29Å; W56-L60 HydrophobicContact CD2-CG 4.27Å; W56-L60 HydrophobicContact CH2-CD2 4.1Å; W56-L60 HydrophobicContact CH2-CG 4.47Å; W56-L60 HydrophobicContact CZ2-CD1 3.88Å; W56-L60 HydrophobicContact CZ2-CD2 3.94Å; W56-L60 HydrophobicContact CZ2-CG 4.05Å; W56-L60 PolarHBondContact O-N 2.89Å
57F76Confident72.8Confident113 Ų11375.5 Ų75.550%0.49637%0.367SS..Hα-helixtrans-63-42.2178-87.5-78.1000112.2I53 K54 S59 L60 Q61I53-F57 HydrophobicContact CG2-CD2 3.8Å; I53-F57 HydrophobicContact CG2-CE2 3.79Å; I53-F57 VanDerWaalsContact O-CD2 3.32Å; I53-F57 WeakPolarHBondContact O-CD2 3.41Å; I53-F57 PolarHBondContact O-N 2.95Å; K54-F57 PolarHBondContact O-N 2.91Å; F57-S59 VanDerWaalsContact C-N 3.33Å; F57-S59 PolarHBondContact O-N 3.16Å; F57-L60 PolarHBondContact O-N 3.42Å; F57-Q61 WeakPolarHBondContact O-CG 3.32Å; F57-Q61 PolarHBondContact O-N 3.09Å
58E78.7Confident72.8Confident89 Ų8976.9 Ų76.942%0.41637%0.367SS..Hα-helixtrans-62-41.1175-73.9178.3171.900111.4K54 W56 Q61 L62K54-E58 WeakPolarHBondContact CE-OE1 3.48Å; K54-E58 IonicContact NZ-OE1 3.82Å; K54-E58 WeakPolarHBondContact O-CG 3.25Å; K54-E58 PolarHBondContact O-N 2.88Å; W56-E58 PolarHBondContact O-N 2.87Å; E58-Q61 PolarHBondContact O-N 2.86Å; E58-L62 WeakPolarHBondContact O-CG 3.37Å; E58-L62 PolarHBondContact O-N 3.05Å
59S75.5Confident72.7Confident10 Ų1082.8 Ų82.87%0.0739%0.394CS..Hα-helixtrans-64.2-43.9177.4-61.20000112.1W55 W56 F57 Q61 L62 V63W55-S59 WeakPolarHBondContact O-CB 3.46Å; W55-S59 PolarHBondContact O-N 2.91Å; W55-S59 PolarHBondContact O-OG 3.49Å; W56-S59 PolarHBondContact O-N 3.42Å; F57-S59 VanDerWaalsContact C-N 3.33Å; F57-S59 PolarHBondContact O-N 3.16Å; S59-Q61 VanDerWaalsContact C-N 3.34Å; S59-Q61 PolarHBondContact O-N 3.32Å; S59-L62 PolarHBondContact O-N 2.81Å; S59-V63 WeakPolarHBondContact O-CG2 3.19Å; S59-V63 PolarHBondContact O-N 3.48Å
60L73.5Confident72.3Confident46 Ų4685 Ų8524%0.24140%0.403CS..Hα-helixtrans-61.9-41.2175.2-74.6179.2000112.1W56 F57 V63 Q64W56-L60 HydrophobicContact CD2-CD1 4.29Å; W56-L60 HydrophobicContact CD2-CG 4.27Å; W56-L60 HydrophobicContact CH2-CD2 4.1Å; W56-L60 HydrophobicContact CH2-CG 4.47Å; W56-L60 HydrophobicContact CZ2-CD1 3.88Å; W56-L60 HydrophobicContact CZ2-CD2 3.94Å; W56-L60 HydrophobicContact CZ2-CG 4.05Å; W56-L60 PolarHBondContact O-N 2.89Å; F57-L60 PolarHBondContact O-N 3.42Å; L60-V63 PolarHBondContact O-N 3.38Å; L60-Q64 WeakPolarHBondContact O-CG 3.41Å; L60-Q64 PolarHBondContact O-N 3.16Å
61Q78Confident71.6Confident113 Ų11379.8 Ų79.853%0.52839%0.39SS..Hα-helixtrans-63.5-42.2176-75178.1-300111.9F57 E58 S59 V63 Q64 L65F57-Q61 WeakPolarHBondContact O-CG 3.32Å; F57-Q61 PolarHBondContact O-N 3.09Å; E58-Q61 PolarHBondContact O-N 2.86Å; S59-Q61 VanDerWaalsContact C-N 3.34Å; S59-Q61 PolarHBondContact O-N 3.32Å; Q61-V63 VanDerWaalsContact C-N 3.31Å; Q61-V63 PolarHBondContact O-N 2.8Å; Q61-Q64 PolarHBondContact O-N 2.89Å; Q61-L65 WeakPolarHBondContact O-CB 3.32Å; Q61-L65 WeakPolarHBondContact O-CG 2.93Å; Q61-L65 PolarHBondContact O-N 2.9Å
62L77.3Confident70.8Confident106 Ų10678.3 Ų78.356%0.55539%0.391SS*.Hα-helixtrans-62-40.1175.7-73.5173.7000111.9E58 S59 L65 Q66E58-L62 WeakPolarHBondContact O-CG 3.37Å; E58-L62 PolarHBondContact O-N 3.05Å; S59-L62 PolarHBondContact O-N 2.81Å; L62-L65 PolarHBondContact O-N 3.49Å; L62-Q66 WeakPolarHBondContact O-CG 3.3Å; L62-Q66 PolarHBondContact O-N 3.02Å
63V70.2Confident69.7Low4 Ų487 Ų872%0.02444%0.438CS..Hα-helixtrans-63.3-46173.7174.80000110.5L7 V11 Q14 S59 L60 Q61 L65 Q66 I67L7-V63 HydrophobicContact CD1-CG1 3.52Å; V11-V63 HydrophobicContact CG2-CG1 3.79Å; Q14-V63 VanDerWaalsContact CD-CG2 3.5Å; Q14-V63 VanDerWaalsContact NE2-CG2 3.33Å; S59-V63 WeakPolarHBondContact O-CG2 3.19Å; S59-V63 PolarHBondContact O-N 3.48Å; L60-V63 PolarHBondContact O-N 3.38Å; Q61-V63 VanDerWaalsContact C-N 3.31Å; Q61-V63 PolarHBondContact O-N 2.8Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.46Å; V63-Q66 WeakPolarHBondContact O-CB 3.02Å; V63-Q66 PolarHBondContact O-N 3.42Å; V63-I67 HydrophobicContact CG1-CD1 4.26Å; V63-I67 HydrophobicContact CG1-CG1 4.48Å; V63-I67 VanDerWaalsContact O-CG1 3.27Å; V63-I67 WeakPolarHBondContact O-CG1 3.39Å; V63-I67 PolarHBondContact O-N 3.26Å
64Q71.3Confident69.7Low122 Ų12289.4 Ų89.457%0.5745%0.449SS*.Hα-helixtrans-60.3-41.3177-73.8180-19.900113L60 Q61 I67 Q68L60-Q64 WeakPolarHBondContact O-CG 3.41Å; L60-Q64 PolarHBondContact O-N 3.16Å; Q61-Q64 PolarHBondContact O-N 2.89Å; Q64-I67 WeakPolarHBondContact O-CB 3.49Å; Q64-I67 PolarHBondContact O-N 3.26Å; Q64-Q68 PolarHBondContact O-N 3.14Å
65L76.5Confident69.4Low89 Ų8987.2 Ų87.247%0.46644%0.443SS..Hα-helixtrans-63.8-41.7175-73.4168.9000111.5Q61 L62 V63 I67 Q68 Q69Q61-L65 WeakPolarHBondContact O-CB 3.32Å; Q61-L65 WeakPolarHBondContact O-CG 2.93Å; Q61-L65 PolarHBondContact O-N 2.9Å; L62-L65 PolarHBondContact O-N 3.49Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.46Å; L65-I67 VanDerWaalsContact C-N 3.32Å; L65-I67 PolarHBondContact O-N 2.83Å; L65-Q68 PolarHBondContact O-N 3.41Å; L65-Q69 WeakPolarHBondContact O-CG 3.27Å; L65-Q69 PolarHBondContact O-N 2.87Å
66Q69Low69Low84 Ų8487 Ų8739%0.39345%0.449SS..Hα-helixtrans-63.3-37.3174.6-74.9-1760.200112.2K10 L62 V63 N70K10-Q66 VanDerWaalsContact NZ-OE1 3.13Å; L62-Q66 WeakPolarHBondContact O-CG 3.3Å; L62-Q66 PolarHBondContact O-N 3.02Å; V63-Q66 WeakPolarHBondContact O-CB 3.02Å; V63-Q66 PolarHBondContact O-N 3.42Å; Q66-N70 WeakPolarHBondContact O-CB 3.43Å; Q66-N70 VanDerWaalsContact O-CG 3.26Å; Q66-N70 PolarHBondContact O-N 2.68Å; Q66-N70 PolarHBondContact O-ND2 2.74Å
67I68Low68.7Low45 Ų4591.6 Ų91.623%0.23147%0.473CS..Hα-helixtrans-60.3-51.8172.7-63.7166.8000109.8F2 L7 V63 Q64 L65 Q69 N70 S71F2-I67 HydrophobicContact CE1-CG2 4.47Å; F2-I67 HydrophobicContact CE2-CB 4.47Å; F2-I67 HydrophobicContact CE2-CG2 4.02Å; F2-I67 HydrophobicContact CZ-CB 4.16Å; F2-I67 HydrophobicContact CZ-CG1 4.1Å; F2-I67 HydrophobicContact CZ-CG2 3.61Å; L7-I67 HydrophobicContact CD1-CD1 3.59Å; L7-I67 HydrophobicContact CD1-CG1 3.35Å; L7-I67 HydrophobicContact CD2-CD1 3.38Å; L7-I67 HydrophobicContact CD2-CG1 3.61Å; L7-I67 HydrophobicContact CG-CD1 4.05Å; L7-I67 HydrophobicContact CG-CG1 4.06Å; V63-I67 HydrophobicContact CG1-CD1 4.26Å; V63-I67 HydrophobicContact CG1-CG1 4.48Å; V63-I67 VanDerWaalsContact O-CG1 3.27Å; V63-I67 WeakPolarHBondContact O-CG1 3.39Å; V63-I67 PolarHBondContact O-N 3.26Å; Q64-I67 WeakPolarHBondContact O-CB 3.49Å; Q64-I67 PolarHBondContact O-N 3.26Å; L65-I67 VanDerWaalsContact C-N 3.32Å; L65-I67 PolarHBondContact O-N 2.83Å; I67-Q69 VanDerWaalsContact C-N 3.34Å; I67-Q69 PolarHBondContact O-N 3.35Å; I67-N70 PolarHBondContact O-N 3.22Å; I67-S71 PolarHBondContact O-N 3.45Å; I67-S71 PolarHBondContact O-OG 2.94Å; I67-S71 VanDerWaalsContact O-OG 3.14Å
68Q65.2Low68.3Low127 Ų12790.3 Ų90.359%0.59347%0.472SS*.Hα-helixtrans-62.4-39.3-177-75-176.9-22.200112.8Q64 L65 S71 S72Q64-Q68 PolarHBondContact O-N 3.14Å; L65-Q68 PolarHBondContact O-N 3.41Å; Q68-S71 PolarHBondContact O-N 3.18Å; Q68-S72 PolarHBondContact O-N 3.49Å; Q68-S72 PolarHBondContact O-OG 3.47Å
69Q64.9Low67.6Low133 Ų13390.3 Ų90.362%0.62148%0.475SS*.Hα-helixtrans-66.7-40.2176.3-74.2-177.2-12.100112L65 I67 S71 S72L65-Q69 WeakPolarHBondContact O-CG 3.27Å; L65-Q69 PolarHBondContact O-N 2.87Å; I67-Q69 VanDerWaalsContact C-N 3.34Å; I67-Q69 PolarHBondContact O-N 3.35Å; Q69-S71 VanDerWaalsContact C-N 3.33Å; Q69-S72 PolarHBondContact O-N 3.25Å
70N61Low67Low93 Ų9396.1 Ų96.150%0.49750%0.504SS..Hα-helixtrans-75.1-20.7178-72.3-21.9000113.5F2 Q66 I67 S72F2-N70 HydrophobicContact CD2-CB 4.09Å; F2-N70 HydrophobicContact CE2-CB 3.93Å; Q66-N70 WeakPolarHBondContact O-CB 3.43Å; Q66-N70 VanDerWaalsContact O-CG 3.26Å; Q66-N70 PolarHBondContact O-N 2.68Å; Q66-N70 PolarHBondContact O-ND2 2.74Å; I67-N70 PolarHBondContact O-N 3.22Å; N70-S72 VanDerWaalsContact C-N 3.35Å
71S57.6Low66.5Low77 Ų7799.9 Ų99.954%0.53852%0.524SS..THydrogen-bonded Turntrans-83.6-9.6172.9-63.30000113.5I67 Q68 Q69I67-S71 PolarHBondContact O-N 3.45Å; I67-S71 PolarHBondContact O-OG 2.94Å; I67-S71 VanDerWaalsContact O-OG 3.14Å; Q68-S71 PolarHBondContact O-N 3.18Å; Q69-S71 VanDerWaalsContact C-N 3.33Å
72S56.8Low65.5Low100 Ų10098.8 Ų98.870%0.69952%0.524SS*.  trans-1064-177.6-55.20000114.4Q68 Q69 N70Q68-S72 PolarHBondContact O-N 3.49Å; Q68-S72 PolarHBondContact O-OG 3.47Å; Q69-S72 PolarHBondContact O-N 3.25Å; N70-S72 VanDerWaalsContact C-N 3.35Å
73N48.5Very low64.5Low206 Ų20698.2 Ų98.2100%1.10252%0.521SS*.  trans-1180171.9-85.5-20000110.2

Retrieved 73 of 73 residues in 158.2 ms (Link to these results)

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