A0A3Q0KUJ2_SCHMA Loading...

Putative neutral sphingomyelinase

AlphaFold DB , UniProt , Accession A0A3Q0KUJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 152 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
1M55.6Low72.7Confident185 Ų18576.9 Ų76.991%0.91143%0.429SS*.  0-49.10-154.4175-145.800112.1T3 V4 I5M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 3.39Å; M1-V4 PolarHBondContact O-N 3.29Å; M1-I5 HydrophobicContact CG-CD1 4.29Å; M1-I5 WeakPolarHBondContact O-CG1 3.3Å; M1-I5 PolarHBondContact O-N 3.07Å; M1-I5 VanDerWaalsContact O-N 3.11Å
2T58.3Low74.1Confident66 Ų6672.4 Ų72.441%0.40541%0.407SS..Hα-helixtrans-56.4-40.6176.648.90000113.5V4 I5 N6 E78T2-V4 PolarHBondContact O-N 3.38Å; T2-I5 PolarHBondContact O-N 3.29Å; T2-N6 WeakPolarHBondContact O-CB 3.38Å; T2-N6 PolarHBondContact O-N 3.48Å; T2-N6 PolarHBondContact O-ND2 3.28Å; T2-E78 VanDerWaalsContact CG2-OE1 3.23Å; T2-E78 WeakPolarHBondContact CG2-OE1 3.22Å
3T60.3Low75.5Confident107 Ų10768.3 Ų68.366%0.65638%0.383SS*.Hα-helixtrans-59.7-41.9175.451.30000113.2M1 G7M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 3.39Å; T3-G7 PolarHBondContact O-N 3.04Å
4V64.9Low76.8Confident98 Ų9869.6 Ų69.659%0.59439%0.387SS*.Hα-helixtrans-68.1-44.2178.2-1800000110.8M1 T2 G7 H8M1-V4 PolarHBondContact O-N 3.29Å; T2-V4 PolarHBondContact O-N 3.38Å; V4-G7 PolarHBondContact O-N 3.38Å; V4-H8 PolarHBondContact O-N 3.44Å
5I68.4Low77.8Confident62 Ų6269.7 Ų69.732%0.31839%0.386SS..Hα-helixtrans-60.6-46.8177-67.9170.9000110.2M1 T2 G7 H8 Y9M1-I5 HydrophobicContact CG-CD1 4.29Å; M1-I5 WeakPolarHBondContact O-CG1 3.3Å; M1-I5 PolarHBondContact O-N 3.07Å; M1-I5 VanDerWaalsContact O-N 3.11Å; T2-I5 PolarHBondContact O-N 3.29Å; I5-G7 VanDerWaalsContact C-N 3.33Å; I5-G7 PolarHBondContact O-N 3.31Å; I5-H8 PolarHBondContact O-N 3.27Å; I5-Y9 HydrophobicContact CG2-CD2 3.84Å; I5-Y9 HydrophobicContact CG2-CE2 3.39Å; I5-Y9 WeakPolarHBondContact O-CD2 3.23Å; I5-Y9 PolarHBondContact O-N 3Å
6N74.4Confident78.9Confident54 Ų5466.6 Ų66.629%0.28937%0.368SS..Hα-helixtrans-62.5-40.3177-69.7-11.1000111.8T2 H8 Y9 I10T2-N6 WeakPolarHBondContact O-CB 3.38Å; T2-N6 PolarHBondContact O-N 3.48Å; T2-N6 PolarHBondContact O-ND2 3.28Å; N6-H8 VanDerWaalsContact C-N 3.33Å; N6-H8 PolarHBondContact O-N 3.06Å; N6-Y9 PolarHBondContact O-N 3.23Å; N6-I10 VanDerWaalsContact O-CG1 3.26Å; N6-I10 WeakPolarHBondContact O-CG1 3.4Å; N6-I10 PolarHBondContact O-N 3.34Å
7G77.1Confident80Confident38 Ų3868.2 Ų68.239%0.39238%0.375SS..Hα-helixtrans-58.6-41.9175.300000113.1T3 V4 I5 I10 L11T3-G7 PolarHBondContact O-N 3.04Å; V4-G7 PolarHBondContact O-N 3.38Å; I5-G7 VanDerWaalsContact C-N 3.33Å; I5-G7 PolarHBondContact O-N 3.31Å; G7-I10 PolarHBondContact O-N 3.38Å; G7-L11 PolarHBondContact O-N 3.24Å; G7-L11 VanDerWaalsContact O-N 3.08Å
8H81Confident80.8Confident72 Ų7269.4 Ų69.433%0.33338%0.38SS..Hα-helixtrans-63.7-45.9175.9176.3-113.3000112.1V4 I5 N6 I10 L11 C12 M137V4-H8 PolarHBondContact O-N 3.44Å; I5-H8 PolarHBondContact O-N 3.27Å; N6-H8 VanDerWaalsContact C-N 3.33Å; N6-H8 PolarHBondContact O-N 3.06Å; H8-I10 PolarHBondContact O-N 3.07Å; H8-L11 PolarHBondContact O-N 3.15Å; H8-C12 PolarHBondContact O-N 3.18Å; H8-C12 PolarHBondContact O-SG 3.43Å; H8-M137 HydrophobicContact CB-CE 3.93Å; H8-M137 WeakPolarHBondContact CD2-CE 3.13Å
9Y83.7Confident81.6Confident18 Ų1868.6 Ų68.67%0.07138%0.378CS..Hα-helixtrans-63.1-40.8177.1-72.1-66.2000112.6I5 N6 L11 C12 I13 S81 Y86I5-Y9 HydrophobicContact CG2-CD2 3.84Å; I5-Y9 HydrophobicContact CG2-CE2 3.39Å; I5-Y9 WeakPolarHBondContact O-CD2 3.23Å; I5-Y9 PolarHBondContact O-N 3Å; N6-Y9 PolarHBondContact O-N 3.23Å; Y9-L11 PolarHBondContact O-N 3.31Å; Y9-C12 PolarHBondContact O-N 3.01Å; Y9-I13 WeakPolarHBondContact O-CB 3.46Å; Y9-I13 VanDerWaalsContact O-CG1 3.25Å; Y9-I13 WeakPolarHBondContact O-CG1 3.49Å; Y9-I13 PolarHBondContact O-N 2.95Å; Y9-S81 VanDerWaalsContact CE2-OG 3.3Å; Y9-S81 WeakPolarHBondContact CE2-OG 3.42Å; Y9-S81 PolarHBondContact OH-OG 3.42Å; Y9-Y86 HydrophobicContact CE1-CE1 4.18Å; Y9-Y86 WeakPolarHBondContact CE1-OH 3.33Å
10I87.6Confident82.3Confident86 Ų8666.6 Ų66.644%0.44137%0.366SS..Hα-helixtrans-60.9-47.4177.5-68.8165.1000110.5N6 G7 H8 C12 I13 I14 L75N6-I10 VanDerWaalsContact O-CG1 3.26Å; N6-I10 WeakPolarHBondContact O-CG1 3.4Å; N6-I10 PolarHBondContact O-N 3.34Å; G7-I10 PolarHBondContact O-N 3.38Å; H8-I10 PolarHBondContact O-N 3.07Å; I10-C12 PolarHBondContact O-N 2.9Å; I10-I13 PolarHBondContact O-N 3.18Å; I10-I14 HydrophobicContact CG2-CD1 3.85Å; I10-I14 VanDerWaalsContact O-CG1 3.31Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 3.37Å; I10-L75 HydrophobicContact CG1-CD2 4.32Å
11L88.1Confident83Confident60 Ų6065 Ų6531%0.31437%0.365SS..Hα-helixtrans-60.5-45.4176.6-178.765.1000111.3G7 H8 Y9 I13 I14 L15 I133 M137G7-L11 PolarHBondContact O-N 3.24Å; G7-L11 VanDerWaalsContact O-N 3.08Å; H8-L11 PolarHBondContact O-N 3.15Å; Y9-L11 PolarHBondContact O-N 3.31Å; L11-I13 PolarHBondContact O-N 3.37Å; L11-I14 PolarHBondContact O-N 3.03Å; L11-L15 HydrophobicContact CD1-CD1 4.37Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.1Å; L11-L15 WeakPolarHBondContact O-CG 3.18Å; L11-L15 PolarHBondContact O-N 2.82Å; L11-I133 HydrophobicContact CD2-CG2 3.92Å; L11-M137 HydrophobicContact CD2-CG 4.48Å; L11-M137 HydrophobicContact CD2-SD 3.71Å
12C89.6Confident84.9Confident23 Ų2361.7 Ų61.716%0.15535%0.35CS..Hα-helixtrans-58.1-46.5175.8-70.80000112H8 Y9 I10 I14 L15 L16 R90H8-C12 PolarHBondContact O-N 3.18Å; H8-C12 PolarHBondContact O-SG 3.43Å; Y9-C12 PolarHBondContact O-N 3.01Å; I10-C12 PolarHBondContact O-N 2.9Å; C12-I14 PolarHBondContact O-N 3.22Å; C12-L15 PolarHBondContact O-N 3.34Å; C12-L16 WeakPolarHBondContact O-CB 3.46Å; C12-L16 WeakPolarHBondContact O-CG 3.4Å; C12-L16 PolarHBondContact O-N 3.11Å; C12-R90 PolarHBondContact SG-NH2 3Å; C12-R90 VanDerWaalsContact SG-NH2 3.41Å
13I92.5Very high86.6Confident19 Ų1959.1 Ų59.110%0.09734%0.335CS..Hα-helixtrans-61.2-45.4179.1-71.1163.1000110.5Y9 I10 L11 L15 L16 I17 D71 I72 L75Y9-I13 WeakPolarHBondContact O-CB 3.46Å; Y9-I13 VanDerWaalsContact O-CG1 3.25Å; Y9-I13 WeakPolarHBondContact O-CG1 3.49Å; Y9-I13 PolarHBondContact O-N 2.95Å; I10-I13 PolarHBondContact O-N 3.18Å; L11-I13 PolarHBondContact O-N 3.37Å; I13-L15 PolarHBondContact O-N 2.96Å; I13-L16 PolarHBondContact O-N 2.95Å; I13-I17 HydrophobicContact CG2-CD1 3.68Å; I13-I17 HydrophobicContact CG2-CG1 4.33Å; I13-I17 WeakPolarHBondContact O-CB 3.4Å; I13-I17 VanDerWaalsContact O-CG1 3.26Å; I13-I17 WeakPolarHBondContact O-CG1 3.3Å; I13-I17 PolarHBondContact O-N 3.48Å; I13-D71 HydrophobicContact CD1-CB 3.86Å; I13-D71 HydrophobicContact CG1-CB 3.65Å; I13-I72 HydrophobicContact CD1-CG1 4.29Å; I13-L75 HydrophobicContact CD1-CD1 3.49Å; I13-L75 VanDerWaalsContact CD1-CD1 3.49Å; I13-L75 HydrophobicContact CD1-CG 4.25Å
14I93.5Very high88.3Confident86 Ų8658.1 Ų58.144%0.44133%0.325SS..Hα-helixtrans-60-48.4178-68.3166.2000110.3I10 L11 C12 L16 I17 I18I10-I14 HydrophobicContact CG2-CD1 3.85Å; I10-I14 VanDerWaalsContact O-CG1 3.31Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 3.37Å; L11-I14 PolarHBondContact O-N 3.03Å; C12-I14 PolarHBondContact O-N 3.22Å; I14-L16 VanDerWaalsContact C-N 3.34Å; I14-L16 PolarHBondContact O-N 2.91Å; I14-I17 PolarHBondContact O-N 3.49Å; I14-I18 HydrophobicContact CG2-CD1 3.93Å; I14-I18 WeakPolarHBondContact O-CG1 3.41Å; I14-I18 PolarHBondContact O-N 3.38Å
15L92.7Very high89.7Confident72 Ų7257.7 Ų57.738%0.37732%0.323SS..Hα-helixtrans-60.6-43.8177.8-69.8173.5000111.4L11 C12 I13 I17 I18 T19L11-L15 HydrophobicContact CD1-CD1 4.37Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.1Å; L11-L15 WeakPolarHBondContact O-CG 3.18Å; L11-L15 PolarHBondContact O-N 2.82Å; C12-L15 PolarHBondContact O-N 3.34Å; I13-L15 PolarHBondContact O-N 2.96Å; L15-I17 PolarHBondContact O-N 3.46Å; L15-I18 PolarHBondContact O-N 3.27Å; L15-T19 PolarHBondContact O-N 2.86Å; L15-T19 PolarHBondContact O-OG1 2.95Å
16L94.8Very high90.8Very high19 Ų1956.3 Ų56.310%0.09932%0.319CS..Hα-helixtrans-64.9-37.7177.8-72.9170000112.7C12 I13 I14 T19 L20 I64 I67 I68 L94C12-L16 WeakPolarHBondContact O-CB 3.46Å; C12-L16 WeakPolarHBondContact O-CG 3.4Å; C12-L16 PolarHBondContact O-N 3.11Å; I13-L16 PolarHBondContact O-N 2.95Å; I14-L16 VanDerWaalsContact C-N 3.34Å; I14-L16 PolarHBondContact O-N 2.91Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 PolarHBondContact O-N 3.29Å; L16-I64 HydrophobicContact CB-CG2 4.2Å; L16-I64 HydrophobicContact CD2-CG2 4.19Å; L16-I67 HydrophobicContact CD1-CB 4.29Å; L16-I67 HydrophobicContact CD1-CG2 3.52Å; L16-I68 HydrophobicContact CB-CD1 4.06Å; L16-I68 HydrophobicContact CB-CG1 3.75Å; L16-I68 HydrophobicContact CD1-CG1 4.24Å; L16-L94 HydrophobicContact CD2-CD2 4.19Å
17I96.8Very high91.6Very high94 Ų9454.2 Ų54.248%0.48231%0.308SS..Hα-helixtrans-64-44.8174.4-71.3166.6000110.2I13 I14 L15 L20 G21 I68I13-I17 HydrophobicContact CG2-CD1 3.68Å; I13-I17 HydrophobicContact CG2-CG1 4.33Å; I13-I17 WeakPolarHBondContact O-CB 3.4Å; I13-I17 VanDerWaalsContact O-CG1 3.26Å; I13-I17 WeakPolarHBondContact O-CG1 3.3Å; I13-I17 PolarHBondContact O-N 3.48Å; I14-I17 PolarHBondContact O-N 3.49Å; L15-I17 PolarHBondContact O-N 3.46Å; I17-L20 PolarHBondContact O-N 3.29Å; I17-G21 PolarHBondContact O-N 3.18Å; I17-I68 HydrophobicContact CG1-CD1 4.01Å
18I95.7Very high92.3Very high91 Ų9156.5 Ų56.547%0.46732%0.317SS..Hα-helixtrans-61-47.4175.8-66.5166.1000109.8I14 L15 L20 G21 L22I14-I18 HydrophobicContact CG2-CD1 3.93Å; I14-I18 WeakPolarHBondContact O-CG1 3.41Å; I14-I18 PolarHBondContact O-N 3.38Å; L15-I18 PolarHBondContact O-N 3.27Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 2.95Å; I18-G21 PolarHBondContact O-N 3.34Å; I18-L22 HydrophobicContact CG2-CD1 3.99Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CG 3.26Å; I18-L22 PolarHBondContact O-N 2.72Å
19T95.1Very high92.8Very high54 Ų5454.9 Ų54.933%0.33131%0.313SS..Hα-helixtrans-58.9-44.6176.6-56.90000111.6L15 L16 L22 C23 I64L15-T19 PolarHBondContact O-N 2.86Å; L15-T19 PolarHBondContact O-OG1 2.95Å; L16-T19 PolarHBondContact O-N 2.91Å; T19-L22 PolarHBondContact O-N 3.3Å; T19-C23 WeakPolarHBondContact O-CB 3.47Å; T19-C23 PolarHBondContact O-N 3.41Å; T19-C23 PolarHBondContact O-SG 3.25Å; T19-I64 HydrophobicContact CG2-CD1 3.86Å
20L96.9Very high93Very high28 Ų2858.9 Ų58.915%0.14734%0.335CS..Hα-helixtrans-61.5-46.7177.1-177.360000111.1L16 I17 I18 L22 C23 L24 I64 L65 I68L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 PolarHBondContact O-N 3.29Å; I17-L20 PolarHBondContact O-N 3.29Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 2.95Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L20-L22 PolarHBondContact O-N 3.3Å; L20-C23 PolarHBondContact O-N 2.84Å; L20-L24 HydrophobicContact CD1-CD1 4.37Å; L20-L24 HydrophobicContact CD1-CG 4.3Å; L20-L24 HydrophobicContact CG-CD1 4.13Å; L20-L24 HydrophobicContact CG-CG 4.46Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 3.42Å; L20-I64 HydrophobicContact CB-CG2 3.88Å; L20-I64 HydrophobicContact CD1-CB 4.43Å; L20-I64 HydrophobicContact CD1-CG2 4.38Å; L20-L65 HydrophobicContact CD2-CD1 4.45Å; L20-I68 HydrophobicContact CD2-CD1 4.14Å
21G96.6Very high93Very high33 Ų3365 Ų6534%0.3435%0.354SS..Hα-helixtrans-60.2-39.9176.900000112.9I17 I18 T25I17-G21 PolarHBondContact O-N 3.18Å; I18-G21 PolarHBondContact O-N 3.34Å; G21-T25 WeakPolarHBondContact O-CB 3.49Å; G21-T25 PolarHBondContact O-N 3.44Å; G21-T25 PolarHBondContact O-OG1 2.82Å
22L95Very high92.8Very high116 Ų11664 Ų6461%0.60735%0.346SS*.Hα-helixtrans-67.8-40.7174.3-70173.2000111.9I18 T19 L20 T25 S26I18-L22 HydrophobicContact CG2-CD1 3.99Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CG 3.26Å; I18-L22 PolarHBondContact O-N 2.72Å; T19-L22 PolarHBondContact O-N 3.3Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L20-L22 PolarHBondContact O-N 3.3Å; L22-T25 PolarHBondContact O-N 3.25Å; L22-S26 WeakPolarHBondContact O-CB 3.44Å; L22-S26 PolarHBondContact O-N 3.14Å
23C94.7Very high92.4Very high12 Ų1268.9 Ų68.98%0.08137%0.371CS..Hα-helixtrans-63.2-44.2175.3-67.30000111.4T19 L20 S26 L27T19-C23 WeakPolarHBondContact O-CB 3.47Å; T19-C23 PolarHBondContact O-N 3.41Å; T19-C23 PolarHBondContact O-SG 3.25Å; L20-C23 PolarHBondContact O-N 2.84Å; C23-S26 WeakPolarHBondContact O-CB 3.29Å; C23-S26 PolarHBondContact O-N 3.18Å; C23-L27 WeakPolarHBondContact O-CG 3.44Å; C23-L27 PolarHBondContact O-N 3.3Å
24L95.2Very high91.9Very high85 Ų8569.5 Ų69.545%0.44538%0.376SS..Hα-helixtrans-65.7-45.2177.6-69.1175.2000111.5L20 S26 L27 S28L20-L24 HydrophobicContact CD1-CD1 4.37Å; L20-L24 HydrophobicContact CD1-CG 4.3Å; L20-L24 HydrophobicContact CG-CD1 4.13Å; L20-L24 HydrophobicContact CG-CG 4.46Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 3.42Å; L24-S26 VanDerWaalsContact C-N 3.29Å; L24-S26 PolarHBondContact O-N 2.92Å; L24-L27 PolarHBondContact O-N 3.33Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L24-S28 WeakPolarHBondContact O-CB 3.35Å; L24-S28 PolarHBondContact O-N 3.06Å; L24-S28 PolarHBondContact O-OG 3.32Å
25T94.3Very high91.6Very high89 Ų8966.2 Ų66.255%0.54636%0.364SS..Hα-helixtrans-58-44.7173.3-56.60000110.6G21 L22 L27 S28 T29G21-T25 WeakPolarHBondContact O-CB 3.49Å; G21-T25 PolarHBondContact O-N 3.44Å; G21-T25 PolarHBondContact O-OG1 2.82Å; L22-T25 PolarHBondContact O-N 3.25Å; T25-L27 VanDerWaalsContact C-N 3.29Å; T25-L27 PolarHBondContact O-N 3.02Å; T25-S28 PolarHBondContact O-N 3.41Å; T25-T29 WeakPolarHBondContact O-CB 3.28Å; T25-T29 PolarHBondContact O-N 3.45Å
26S91.6Very high91.2Very high34 Ų3463.9 Ų63.924%0.23835%0.352CS..Hα-helixtrans-61.7-34.8176.7-178.30000112.7L22 C23 L24 T29 W32L22-S26 WeakPolarHBondContact O-CB 3.44Å; L22-S26 PolarHBondContact O-N 3.14Å; C23-S26 WeakPolarHBondContact O-CB 3.29Å; C23-S26 PolarHBondContact O-N 3.18Å; L24-S26 VanDerWaalsContact C-N 3.29Å; L24-S26 PolarHBondContact O-N 2.92Å; S26-T29 WeakPolarHBondContact O-CG2 3.47Å; S26-W32 WeakPolarHBondContact O-CZ2 3.34Å; S26-W32 PolarHBondContact O-NE1 3.22Å; S26-W32 WeakPolarHBondContact OG-CZ2 3.12Å
27L92.2Very high90.5Very high10 Ų1063.5 Ų63.55%0.05235%0.35CS..Hα-helixtrans-73.1-37.5174.4-78.4169.6000113.2C23 L24 T25 L37 F38 F57 I58C23-L27 WeakPolarHBondContact O-CG 3.44Å; C23-L27 PolarHBondContact O-N 3.3Å; L24-L27 PolarHBondContact O-N 3.33Å; L24-L27 VanDerWaalsContact O-N 3.13Å; T25-L27 VanDerWaalsContact C-N 3.29Å; T25-L27 PolarHBondContact O-N 3.02Å; L27-L37 HydrophobicContact CD2-CD1 4.09Å; L27-F38 HydrophobicContact CB-CE2 4.21Å; L27-F38 HydrophobicContact CD2-CE2 4.17Å; L27-F38 HydrophobicContact CD2-CZ 3.91Å; L27-F38 WeakPolarHBondContact O-CE2 3.26Å; L27-F57 HydrophobicContact CD1-CB 4.24Å; L27-F57 HydrophobicContact CD2-CB 3.73Å; L27-F57 HydrophobicContact CD2-CD2 4.16Å; L27-F57 HydrophobicContact CD2-CG 4.49Å; L27-F57 HydrophobicContact CG-CB 4.07Å; L27-F57 HydrophobicContact CG-CD2 4.46Å; L27-I58 HydrophobicContact CD1-CG1 4.07Å; L27-I58 HydrophobicContact CD2-CG1 4.39Å
28S91.3Very high89.7Confident85 Ų8563.5 Ų63.559%0.59435%0.347SS*.Hα-helixtrans-87.3-18-175.7-60.70000114.2L24 T25 N36L24-S28 WeakPolarHBondContact O-CB 3.35Å; L24-S28 PolarHBondContact O-N 3.06Å; L24-S28 PolarHBondContact O-OG 3.32Å; T25-S28 PolarHBondContact O-N 3.41Å; S28-N36 PolarHBondContact O-ND2 3.29Å
29T91.3Very high89Confident39 Ų3963.9 Ų63.924%0.23935%0.354CS..  trans-70.6143.8-175.9-160.20000111.9T25 S26 Y31 W32T25-T29 WeakPolarHBondContact O-CB 3.28Å; T25-T29 PolarHBondContact O-N 3.45Å; S26-T29 WeakPolarHBondContact O-CG2 3.47Å; T29-Y31 VanDerWaalsContact C-N 3.32Å; T29-Y31 VanDerWaalsContact OG1-CD2 3.22Å; T29-Y31 WeakPolarHBondContact OG1-CD2 3.48Å; T29-W32 VanDerWaalsContact O-CD1 3.27Å
30D87.7Confident88.1Confident102 Ų10265.5 Ų65.555%0.54536%0.363SS..SBendtrans-93.65176.1-57.3-34000112.2W32 G35 N36D30-W32 PolarHBondContact O-N 2.96Å; D30-G35 CarbonylContact O-C 3.46Å; D30-G35 VanDerWaalsContact O-CA 3.3Å; D30-G35 WeakPolarHBondContact O-CA 3.26Å; D30-N36 WeakPolarHBondContact OD1-CB 3.47Å; D30-N36 PolarHBondContact OD1-ND2 3.5Å
31Y86.6Confident87.2Confident215 Ų21564.2 Ų64.284%0.84336%0.357SS*.  trans-81.69.3-175.6-75-87.1000114T29T29-Y31 VanDerWaalsContact C-N 3.32Å; T29-Y31 VanDerWaalsContact OG1-CD2 3.22Å; T29-Y31 WeakPolarHBondContact OG1-CD2 3.48Å
32W84.3Confident85.9Confident37 Ų3770.7 Ų70.714%0.1437%0.371CS..BIsolated β-bridgetrans-72.6156.4168.3-54.893.6000110.1S26 T29 D30 C34 G35 L37 M53 F57 Y108S26-W32 WeakPolarHBondContact O-CZ2 3.34Å; S26-W32 PolarHBondContact O-NE1 3.22Å; S26-W32 WeakPolarHBondContact OG-CZ2 3.12Å; T29-W32 VanDerWaalsContact O-CD1 3.27Å; D30-W32 PolarHBondContact O-N 2.96Å; W32-C34 PolarHBondContact O-N 3.34Å; W32-G35 VanDerWaalsContact CB-O 3.28Å; W32-G35 WeakPolarHBondContact CB-O 3.25Å; W32-G35 PolarHBondContact O-N 2.86Å; W32-L37 HydrophobicContact CD2-CD1 4.49Å; W32-L37 HydrophobicContact CD2-CD2 4.25Å; W32-L37 HydrophobicContact CD2-CG 4.37Å; W32-L37 HydrophobicContact CG-CD2 4.22Å; W32-L37 HydrophobicContact CG-CG 4.14Å; W32-L37 HydrophobicContact CZ2-CD1 3.92Å; W32-M53 HydrophobicContact CZ3-CE 4.29Å; W32-F57 AromaticContact CH2-CE2 3.81Å; W32-F57 HydrophobicContact CH2-CE2 3.81Å; W32-F57 HydrophobicContact CH2-CZ 4.41Å; W32-F57 AromaticContact CZ2-CE2 3.96Å; W32-F57 HydrophobicContact CZ2-CE2 3.96Å; W32-Y108 HydrophobicContact CE3-CD1 4.39Å; W32-Y108 HydrophobicContact CE3-CD2 4.01Å; W32-Y108 AromaticContact CE3-CE1 3.95Å; W32-Y108 HydrophobicContact CE3-CE1 3.95Å; W32-Y108 AromaticContact CE3-CE2 3.54Å; W32-Y108 HydrophobicContact CE3-CE2 3.54Å; W32-Y108 HydrophobicContact CE3-CG 4.42Å; W32-Y108 AromaticContact CE3-CZ 3.54Å; W32-Y108 AromaticContact CZ3-CD1 3.93Å; W32-Y108 HydrophobicContact CZ3-CD1 3.93Å; W32-Y108 AromaticContact CZ3-CD2 3.99Å; W32-Y108 HydrophobicContact CZ3-CD2 3.99Å; W32-Y108 AromaticContact CZ3-CE1 3.88Å; W32-Y108 HydrophobicContact CZ3-CE1 3.88Å; W32-Y108 AromaticContact CZ3-CE2 3.96Å; W32-Y108 HydrophobicContact CZ3-CE2 3.96Å; W32-Y108 AromaticContact CZ3-CG 3.99Å; W32-Y108 HydrophobicContact CZ3-CG 3.99Å; W32-Y108 AromaticContact CZ3-CZ 3.94Å
33N81.8Confident84.9Confident126 Ų12672.8 Ų72.867%0.67438%0.383SS*.THydrogen-bonded Turntrans-57.1-28.3-175.5-163.335.7000113.7Y108 I112N33-Y108 PolarHBondContact N-OH 2.89Å; N33-I112 HydrophobicContact CB-CG2 4.18Å
34C82.8Confident84Confident32 Ų3274.4 Ų74.422%0.21639%0.392CS..THydrogen-bonded Turntrans-97.96.8175.352.40000114.5W32 T40 C41 T44W32-C34 PolarHBondContact O-N 3.34Å; C34-T40 WeakPolarHBondContact O-CB 3.36Å; C34-T40 WeakPolarHBondContact O-CG2 3.48Å; C34-C41 VanDerWaalsContact C-SG 3.51Å; C34-C41 HydrophobicContact CB-CB 3.95Å; C34-C41 WeakPolarHBondContact CB-SG 3.35Å; C34-C41 WeakPolarHBondContact SG-CB 3.28Å; C34-C41 CovalentContact SG-SG 2.02Å; C34-C41 PolarHBondContact SG-SG 3.49Å; C34-T44 HydrophobicContact CB-CG2 4.29Å
35G85.4Confident83.3Confident18 Ų1879.6 Ų79.619%0.18641%0.414CS..BIsolated β-bridgetrans92.5-133.9-175.200000112.9D30 W32D30-G35 CarbonylContact O-C 3.46Å; D30-G35 VanDerWaalsContact O-CA 3.3Å; D30-G35 WeakPolarHBondContact O-CA 3.26Å; W32-G35 VanDerWaalsContact CB-O 3.28Å; W32-G35 WeakPolarHBondContact CB-O 3.25Å; W32-G35 PolarHBondContact O-N 2.86Å
36N84.4Confident82.7Confident23 Ų2378.6 Ų78.612%0.12341%0.405CS..  trans-76.8135.6176.9-163.4-76.8000111.7S28 D30 F38 T39 T40 C41S28-N36 PolarHBondContact O-ND2 3.29Å; D30-N36 WeakPolarHBondContact OD1-CB 3.47Å; D30-N36 PolarHBondContact OD1-ND2 3.5Å; N36-F38 VanDerWaalsContact C-N 3.26Å; N36-F38 PolarHBondContact O-N 3.46Å; N36-F38 PolarHBondContact OD1-N 2.97Å; N36-T39 VanDerWaalsContact CB-OG1 3.32Å; N36-T39 WeakPolarHBondContact CB-OG1 3.3Å; N36-T40 PolarHBondContact O-N 2.84Å; N36-C41 WeakPolarHBondContact O-CB 3.3Å; N36-C41 PolarHBondContact O-N 3.08Å; N36-C41 VanDerWaalsContact O-N 3.1Å; N36-C41 PolarHBondContact O-SG 3.33Å
37L81.4Confident82.4Confident11 Ų1181.8 Ų81.86%0.05842%0.417CS..THydrogen-bonded Turntrans-57.6-33.9178.1-71165.9000113.7L27 W32 I50L27-L37 HydrophobicContact CD2-CD1 4.09Å; W32-L37 HydrophobicContact CD2-CD1 4.49Å; W32-L37 HydrophobicContact CD2-CD2 4.25Å; W32-L37 HydrophobicContact CD2-CG 4.37Å; W32-L37 HydrophobicContact CG-CD2 4.22Å; W32-L37 HydrophobicContact CG-CG 4.14Å; W32-L37 HydrophobicContact CZ2-CD1 3.92Å; L37-I50 HydrophobicContact CD2-CG2 3.45Å; L37-I50 VanDerWaalsContact CD2-CG2 3.45Å
38F80.6Confident82.2Confident94 Ų9486.1 Ų86.141%0.41244%0.443SS..THydrogen-bonded Turntrans-93.8-23.8-171.6-64-72.2000114.4L27 N36 A54 I58L27-F38 HydrophobicContact CB-CE2 4.21Å; L27-F38 HydrophobicContact CD2-CE2 4.17Å; L27-F38 HydrophobicContact CD2-CZ 3.91Å; L27-F38 WeakPolarHBondContact O-CE2 3.26Å; N36-F38 VanDerWaalsContact C-N 3.26Å; N36-F38 PolarHBondContact O-N 3.46Å; N36-F38 PolarHBondContact OD1-N 2.97Å; F38-A54 HydrophobicContact CE1-CB 4.41Å; F38-I58 HydrophobicContact CE1-CD1 3.92Å; F38-I58 HydrophobicContact CZ-CD1 3.97Å
39T80.4Confident82.1Confident99 Ų9984 Ų8461%0.60743%0.425SS*.THydrogen-bonded Turntrans-112.6-69.8-174.359.90000111.1N36N36-T39 VanDerWaalsContact CB-OG1 3.32Å; N36-T39 WeakPolarHBondContact CB-OG1 3.3Å
40T76.5Confident82.1Confident87 Ų8782.4 Ų82.453%0.53442%0.415SS..G310 helixtrans-71.8-39.8-170.8-45.20000112.3C34 N36 R42C34-T40 WeakPolarHBondContact O-CB 3.36Å; C34-T40 WeakPolarHBondContact O-CG2 3.48Å; N36-T40 PolarHBondContact O-N 2.84Å; T40-R42 PolarHBondContact O-N 2.96Å
41C76.5Confident82.2Confident1 Ų182.7 Ų82.71%0.00742%0.416CS..G310 helixtrans-72.5-8.1-177.3-63.20000114.8C34 N36 N43 T44 I50C34-C41 VanDerWaalsContact C-SG 3.51Å; C34-C41 HydrophobicContact CB-CB 3.95Å; C34-C41 WeakPolarHBondContact CB-SG 3.35Å; C34-C41 WeakPolarHBondContact SG-CB 3.28Å; C34-C41 CovalentContact SG-SG 2.02Å; C34-C41 PolarHBondContact SG-SG 3.49Å; N36-C41 WeakPolarHBondContact O-CB 3.3Å; N36-C41 PolarHBondContact O-N 3.08Å; N36-C41 VanDerWaalsContact O-N 3.1Å; N36-C41 PolarHBondContact O-SG 3.33Å; C41-N43 VanDerWaalsContact C-N 3.29Å; C41-N43 PolarHBondContact O-N 3.43Å; C41-T44 PolarHBondContact O-OG1 2.95Å; C41-T44 VanDerWaalsContact O-OG1 3.11Å; C41-I50 HydrophobicContact CB-CD1 4Å; C41-I50 HydrophobicContact CB-CG2 3.74Å
42R70.1Confident82.5Confident170 Ų17074.7 Ų74.764%0.64239%0.391SS*.G310 helixtrans-70.7-23.8-178.8-180174.2-91.4-177.4-5.3113T40 Q47T40-R42 PolarHBondContact O-N 2.96Å; R42-Q47 WeakPolarHBondContact O-CB 3.34Å; R42-Q47 PolarHBondContact O-OE1 2.89Å
43N73.6Confident82.8Confident159 Ų15972.9 Ų72.985%0.8539%0.385SS*.G310 helixtrans-103.218.8-173.2-157.832.2000113.8C41C41-N43 VanDerWaalsContact C-N 3.29Å; C41-N43 PolarHBondContact O-N 3.43Å
44T76.6Confident83.4Confident46 Ų4667 Ų6728%0.28235%0.354SS..SBendtrans-100.3162179.162.50000111.4C34 C41 D46 Q47C34-T44 HydrophobicContact CB-CG2 4.29Å; C41-T44 PolarHBondContact O-OG1 2.95Å; C41-T44 VanDerWaalsContact O-OG1 3.11Å; T44-D46 PolarHBondContact O-N 3.49Å; T44-Q47 VanDerWaalsContact O-CB 3.32Å; T44-Q47 WeakPolarHBondContact O-CB 3.36Å; T44-Q47 WeakPolarHBondContact O-CG 3.45Å; T44-Q47 PolarHBondContact O-N 3.45Å; T44-Q47 VanDerWaalsContact O-N 3.11Å
45E80.1Confident83.9Confident195 Ų19568.6 Ų68.691%0.91137%0.365SS*.THydrogen-bonded Turntrans-58.7-30175.3-63-174.5165.700111.8Q47E45-Q47 VanDerWaalsContact C-N 3.29Å; E45-Q47 PolarHBondContact O-N 3.49Å
46D81.9Confident84.4Confident67 Ų6769.4 Ų69.436%0.35837%0.365SS..THydrogen-bonded Turntrans-85.611.7179.4-59-45.4000114.2T44 V48 I49 I50T44-D46 PolarHBondContact O-N 3.49Å; D46-V48 PolarHBondContact O-N 3.26Å; D46-I49 HydrophobicContact CB-CD1 4.34Å; D46-I49 WeakPolarHBondContact O-CB 3.27Å; D46-I49 PolarHBondContact O-N 2.9Å; D46-I50 HydrophobicContact CB-CD1 3.9Å; D46-I50 HydrophobicContact CB-CG1 4.37Å; D46-I50 WeakPolarHBondContact O-CG1 3.43Å; D46-I50 PolarHBondContact O-N 3.24Å
47Q85.2Confident84.9Confident101 Ų10168.6 Ų68.647%0.47236%0.36SS..Hα-helixtrans-50.5-37.5-175.761.2176.3-42.800113.6R42 T44 E45 L51R42-Q47 WeakPolarHBondContact O-CB 3.34Å; R42-Q47 PolarHBondContact O-OE1 2.89Å; T44-Q47 VanDerWaalsContact O-CB 3.32Å; T44-Q47 WeakPolarHBondContact O-CB 3.36Å; T44-Q47 WeakPolarHBondContact O-CG 3.45Å; T44-Q47 PolarHBondContact O-N 3.45Å; T44-Q47 VanDerWaalsContact O-N 3.11Å; E45-Q47 VanDerWaalsContact C-N 3.29Å; E45-Q47 PolarHBondContact O-N 3.49Å; Q47-L51 WeakPolarHBondContact O-CB 3.33Å; Q47-L51 PolarHBondContact O-N 3.32Å
48V88.3Confident85.6Confident102 Ų10272.1 Ų72.162%0.61838%0.378SS*.Hα-helixtrans-69.4-41.7-177.7179.60000110.5D46 S52D46-V48 PolarHBondContact O-N 3.26Å; V48-S52 VanDerWaalsContact O-CB 3.32Å; V48-S52 WeakPolarHBondContact O-CB 3.48Å; V48-S52 PolarHBondContact O-N 3.24Å; V48-S52 PolarHBondContact O-OG 3.37Å
49I89.1Confident86.3Confident39 Ų3971.6 Ų71.620%0.238%0.379CS..Hα-helixtrans-66.1-48.4178.7-63.3157.7000108.8D46 L51 S52 M53 L107 L111 I112D46-I49 HydrophobicContact CB-CD1 4.34Å; D46-I49 WeakPolarHBondContact O-CB 3.27Å; D46-I49 PolarHBondContact O-N 2.9Å; I49-L51 PolarHBondContact O-N 3.02Å; I49-S52 WeakPolarHBondContact O-CB 3.39Å; I49-S52 PolarHBondContact O-N 3.2Å; I49-M53 HydrophobicContact CG2-SD 4.24Å; I49-M53 WeakPolarHBondContact O-CG 3.38Å; I49-M53 PolarHBondContact O-N 3Å; I49-L107 HydrophobicContact CG2-CB 4.5Å; I49-L111 HydrophobicContact CB-CD1 4.48Å; I49-L111 HydrophobicContact CD1-CB 4.22Å; I49-L111 HydrophobicContact CD1-CD1 3.63Å; I49-L111 HydrophobicContact CD1-CG 4.43Å; I49-L111 HydrophobicContact CG1-CD1 3.84Å; I49-L111 HydrophobicContact CG2-CB 4.46Å; I49-L111 HydrophobicContact CG2-CD1 3.78Å; I49-I112 HydrophobicContact CG2-CD1 4.49Å
50I90Very high87.1Confident6 Ų666.9 Ų66.93%0.03135%0.35CS..Hα-helixtrans-64.9-42.4-177-63.5160.6000111.1L37 C41 D46 S52 M53 A54 I112L37-I50 HydrophobicContact CD2-CG2 3.45Å; L37-I50 VanDerWaalsContact CD2-CG2 3.45Å; C41-I50 HydrophobicContact CB-CD1 4Å; C41-I50 HydrophobicContact CB-CG2 3.74Å; D46-I50 HydrophobicContact CB-CD1 3.9Å; D46-I50 HydrophobicContact CB-CG1 4.37Å; D46-I50 WeakPolarHBondContact O-CG1 3.43Å; D46-I50 PolarHBondContact O-N 3.24Å; I50-S52 VanDerWaalsContact C-N 3.34Å; I50-S52 PolarHBondContact O-N 2.08Å; I50-M53 PolarHBondContact O-N 3.24Å; I50-A54 WeakPolarHBondContact O-CB 3.36Å; I50-A54 PolarHBondContact O-N 3.44Å; I50-I112 HydrophobicContact CD1-CD1 4.42Å; I50-I112 HydrophobicContact CG1-CD1 3.86Å
51L90.1Very high88Confident108 Ų10863.3 Ų63.357%0.56533%0.329SS*.Hα-helixtrans-64-39.9174.7-176.762.4000111.8Q47 I49 A54 S55Q47-L51 WeakPolarHBondContact O-CB 3.33Å; Q47-L51 PolarHBondContact O-N 3.32Å; I49-L51 PolarHBondContact O-N 3.02Å; L51-A54 PolarHBondContact O-N 2.87Å; L51-S55 WeakPolarHBondContact O-CB 3.33Å; L51-S55 PolarHBondContact O-N 3.41Å; L51-S55 PolarHBondContact O-OG 3.36Å
52S92.6Very high89Confident47 Ų4768.9 Ų68.933%0.32935%0.353SS..Hα-helixtrans-61.4-46.5175.6-60.20000110.8V48 I49 I50 S55 L56V48-S52 VanDerWaalsContact O-CB 3.32Å; V48-S52 WeakPolarHBondContact O-CB 3.48Å; V48-S52 PolarHBondContact O-N 3.24Å; V48-S52 PolarHBondContact O-OG 3.37Å; I49-S52 WeakPolarHBondContact O-CB 3.39Å; I49-S52 PolarHBondContact O-N 3.2Å; I50-S52 VanDerWaalsContact C-N 3.34Å; I50-S52 PolarHBondContact O-N 2.08Å; S52-S55 PolarHBondContact O-N 3.16Å; S52-S55 PolarHBondContact O-OG 3.46Å; S52-L56 WeakPolarHBondContact O-CG 3.26Å; S52-L56 PolarHBondContact O-N 2.94Å
53M92.4Very high90.2Very high0 Ų061.2 Ų61.20%033%0.326CS..Hα-helixtrans-59.6-49.2175-67.7170.941.700112.5W32 I49 I50 S55 L56 F57 G104 L107 Y108 I112W32-M53 HydrophobicContact CZ3-CE 4.29Å; I49-M53 HydrophobicContact CG2-SD 4.24Å; I49-M53 WeakPolarHBondContact O-CG 3.38Å; I49-M53 PolarHBondContact O-N 3Å; I50-M53 PolarHBondContact O-N 3.24Å; M53-S55 VanDerWaalsContact C-N 3.26Å; M53-S55 PolarHBondContact O-N 3.27Å; M53-L56 WeakPolarHBondContact O-CB 3.31Å; M53-L56 PolarHBondContact O-N 3.15Å; M53-L56 VanDerWaalsContact O-N 3.12Å; M53-F57 PolarHBondContact O-N 3.26Å; M53-G104 WeakPolarHBondContact CG-O 3.22Å; M53-L107 HydrophobicContact CG-CB 3.9Å; M53-L107 HydrophobicContact CG-CD1 4.41Å; M53-L107 HydrophobicContact SD-CB 4.45Å; M53-Y108 VanDerWaalsContact CE-CB 3.41Å; M53-Y108 HydrophobicContact CE-CD2 3.45Å; M53-Y108 VanDerWaalsContact CE-CD2 3.45Å; M53-Y108 HydrophobicContact CE-CG 3.71Å; M53-Y108 VanDerWaalsContact SD-CB 3.58Å; M53-Y108 HydrophobicContact SD-CD2 3.83Å; M53-Y108 HydrophobicContact SD-CG 4.17Å; M53-I112 HydrophobicContact SD-CD1 4.33Å
54A93.2Very high91.3Very high3 Ų353.8 Ų53.83%0.02529%0.286CS..Hα-helixtrans-58.9-40.7179.100000111.1F38 I50 L51 L56 F57 I58F38-A54 HydrophobicContact CE1-CB 4.41Å; I50-A54 WeakPolarHBondContact O-CB 3.36Å; I50-A54 PolarHBondContact O-N 3.44Å; L51-A54 PolarHBondContact O-N 2.87Å; A54-L56 PolarHBondContact O-N 3.07Å; A54-F57 PolarHBondContact O-N 3.46Å; A54-I58 VanDerWaalsContact O-CG1 3.26Å; A54-I58 WeakPolarHBondContact O-CG1 3.5Å; A54-I58 PolarHBondContact O-N 2.9Å
55S94.1Very high92.3Very high65 Ų6555.5 Ų55.546%0.45529%0.293SS..Hα-helixtrans-64.1-39.1176.577.10000112.9L51 S52 M53 I58 L59L51-S55 WeakPolarHBondContact O-CB 3.33Å; L51-S55 PolarHBondContact O-N 3.41Å; L51-S55 PolarHBondContact O-OG 3.36Å; S52-S55 PolarHBondContact O-N 3.16Å; S52-S55 PolarHBondContact O-OG 3.46Å; M53-S55 VanDerWaalsContact C-N 3.26Å; M53-S55 PolarHBondContact O-N 3.27Å; S55-I58 PolarHBondContact O-N 3.14Å; S55-L59 WeakPolarHBondContact O-CB 3.48Å; S55-L59 PolarHBondContact O-N 3.42Å
56L95.7Very high93Very high34 Ų3449.1 Ų49.118%0.17827%0.265CS..Hα-helixtrans-67-38176.2-71.5167.3000111.7S52 M53 A54 S60 A100 I103 L107S52-L56 WeakPolarHBondContact O-CG 3.26Å; S52-L56 PolarHBondContact O-N 2.94Å; M53-L56 WeakPolarHBondContact O-CB 3.31Å; M53-L56 PolarHBondContact O-N 3.15Å; M53-L56 VanDerWaalsContact O-N 3.12Å; A54-L56 PolarHBondContact O-N 3.07Å; L56-S60 WeakPolarHBondContact O-CB 3.44Å; L56-S60 PolarHBondContact O-N 3.32Å; L56-S60 PolarHBondContact O-OG 3.29Å; L56-A100 HydrophobicContact CD2-CB 4.13Å; L56-I103 HydrophobicContact CD1-CB 4.19Å; L56-I103 HydrophobicContact CD1-CG2 3.67Å; L56-L107 HydrophobicContact CD1-CD1 4.05Å
57F94.4Very high93.7Very high6 Ų646 Ų463%0.02625%0.248CC..Hα-helixtrans-68.6-42.8176-74.56.2000111.6L27 W32 M53 A54 S60 S61 L101 V105L27-F57 HydrophobicContact CD1-CB 4.24Å; L27-F57 HydrophobicContact CD2-CB 3.73Å; L27-F57 HydrophobicContact CD2-CD2 4.16Å; L27-F57 HydrophobicContact CD2-CG 4.49Å; L27-F57 HydrophobicContact CG-CB 4.07Å; L27-F57 HydrophobicContact CG-CD2 4.46Å; W32-F57 AromaticContact CH2-CE2 3.81Å; W32-F57 HydrophobicContact CH2-CE2 3.81Å; W32-F57 HydrophobicContact CH2-CZ 4.41Å; W32-F57 AromaticContact CZ2-CE2 3.96Å; W32-F57 HydrophobicContact CZ2-CE2 3.96Å; M53-F57 PolarHBondContact O-N 3.26Å; A54-F57 PolarHBondContact O-N 3.46Å; F57-S60 WeakPolarHBondContact O-CB 3.5Å; F57-S60 PolarHBondContact O-N 2.97Å; F57-S61 PolarHBondContact O-N 3.32Å; F57-S61 PolarHBondContact O-OG 2.84Å; F57-L101 HydrophobicContact CD1-CD2 3.91Å; F57-L101 HydrophobicContact CE1-CD2 4.22Å; F57-V105 HydrophobicContact CE1-CG2 4.01Å; F57-V105 HydrophobicContact CZ-CG2 3.77Å
58I96Very high94.2Very high86 Ų8641.8 Ų41.844%0.44123%0.229SC..Hα-helixtrans-61.3-46.3174.3-68.4164.4000110.8L27 F38 A54 S55 S60 S61 F62L27-I58 HydrophobicContact CD1-CG1 4.07Å; L27-I58 HydrophobicContact CD2-CG1 4.39Å; F38-I58 HydrophobicContact CE1-CD1 3.92Å; F38-I58 HydrophobicContact CZ-CD1 3.97Å; A54-I58 VanDerWaalsContact O-CG1 3.26Å; A54-I58 WeakPolarHBondContact O-CG1 3.5Å; A54-I58 PolarHBondContact O-N 2.9Å; S55-I58 PolarHBondContact O-N 3.14Å; I58-S60 VanDerWaalsContact C-N 3.28Å; I58-S60 PolarHBondContact O-N 3.46Å; I58-S61 PolarHBondContact O-N 3.41Å; I58-F62 PolarHBondContact O-N 3.02Å
59L96.5Very high94.4Very high83 Ų8341.2 Ų41.244%0.43522%0.221SC..Hα-helixtrans-58-44.2176.3178.161.9000111S55 F62 C63S55-L59 WeakPolarHBondContact O-CB 3.48Å; S55-L59 PolarHBondContact O-N 3.42Å; L59-F62 PolarHBondContact O-N 2.86Å; L59-C63 PolarHBondContact O-N 3.48Å; L59-C63 PolarHBondContact O-SG 2.88Å; L59-C63 VanDerWaalsContact O-SG 3.37Å
60S96.3Very high94.6Very high0 Ų041.5 Ų41.50%022%0.223CC..Hα-helixtrans-62.5-48.2176.8-59.20000111.9L56 F57 I58 F62 C63 I64 C97 A100 L101L56-S60 WeakPolarHBondContact O-CB 3.44Å; L56-S60 PolarHBondContact O-N 3.32Å; L56-S60 PolarHBondContact O-OG 3.29Å; F57-S60 WeakPolarHBondContact O-CB 3.5Å; F57-S60 PolarHBondContact O-N 2.97Å; I58-S60 VanDerWaalsContact C-N 3.28Å; I58-S60 PolarHBondContact O-N 3.46Å; S60-F62 VanDerWaalsContact C-N 3.28Å; S60-F62 PolarHBondContact O-N 3.48Å; S60-C63 PolarHBondContact O-N 3.4Å; S60-C63 VanDerWaalsContact O-N 3.15Å; S60-I64 WeakPolarHBondContact O-CG1 3.27Å; S60-I64 PolarHBondContact O-N 2.89Å; S60-C97 PolarHBondContact O-SG 3.42Å; S60-A100 WeakPolarHBondContact OG-CB 3.33Å; S60-L101 WeakPolarHBondContact OG-CG 3.38Å; S60-L101 PolarHBondContact OG-N 2.86Å
61S95.9Very high94.6Very high12 Ų1241.2 Ų41.28%0.08422%0.222CC..Hα-helixtrans-58-40.8176.5-66.10000112.2F57 I58 I64 L65F57-S61 PolarHBondContact O-N 3.32Å; F57-S61 PolarHBondContact O-OG 2.84Å; I58-S61 PolarHBondContact O-N 3.41Å; S61-I64 PolarHBondContact O-N 2.91Å; S61-L65 PolarHBondContact O-N 3.44Å
62F96.4Very high94.7Very high117 Ų11739.1 Ų39.151%0.51321%0.211SC..Hα-helixtrans-64.1-45.7175.1-179-103.9000112I58 L59 S60 I64 L65 L66I58-F62 PolarHBondContact O-N 3.02Å; L59-F62 PolarHBondContact O-N 2.86Å; S60-F62 VanDerWaalsContact C-N 3.28Å; S60-F62 PolarHBondContact O-N 3.48Å; F62-I64 PolarHBondContact O-N 2.96Å; F62-L65 WeakPolarHBondContact O-CB 3.33Å; F62-L65 PolarHBondContact O-N 2.86Å; F62-L66 HydrophobicContact CD1-CD1 4.12Å; F62-L66 HydrophobicContact CE1-CD1 3.58Å; F62-L66 HydrophobicContact CE1-CG 4.18Å; F62-L66 HydrophobicContact CZ-CD1 4.01Å; F62-L66 HydrophobicContact CZ-CD2 4.32Å; F62-L66 HydrophobicContact CZ-CG 4.26Å; F62-L66 PolarHBondContact O-N 3.35Å; F62-L66 VanDerWaalsContact O-N 3.07Å
63C96.7Very high94.5Very high10 Ų1040.7 Ų40.77%0.06821%0.214CC..Hα-helixtrans-60.3-42.8174.9-71.40000112.3L59 S60 L65 L66 I67 C97L59-C63 PolarHBondContact O-N 3.48Å; L59-C63 PolarHBondContact O-SG 2.88Å; L59-C63 VanDerWaalsContact O-SG 3.37Å; S60-C63 PolarHBondContact O-N 3.4Å; S60-C63 VanDerWaalsContact O-N 3.15Å; C63-L65 VanDerWaalsContact C-N 3.32Å; C63-L65 PolarHBondContact O-N 2.9Å; C63-L66 PolarHBondContact O-N 3.46Å; C63-I67 WeakPolarHBondContact O-CD1 3.36Å; C63-I67 VanDerWaalsContact O-CG1 3.27Å; C63-I67 WeakPolarHBondContact O-CG1 3.36Å; C63-I67 PolarHBondContact O-N 3.27Å; C63-C97 HydrophobicContact CB-CB 4.09Å
64I96.6Very high94.2Very high3 Ų340.9 Ų40.92%0.01522%0.216CC..Hα-helixtrans-59.4-45.3176.1-67.7162.4000110.6L16 T19 L20 S60 S61 F62 L66 I67 I68 C97L16-I64 HydrophobicContact CB-CG2 4.2Å; L16-I64 HydrophobicContact CD2-CG2 4.19Å; T19-I64 HydrophobicContact CG2-CD1 3.86Å; L20-I64 HydrophobicContact CB-CG2 3.88Å; L20-I64 HydrophobicContact CD1-CB 4.43Å; L20-I64 HydrophobicContact CD1-CG2 4.38Å; S60-I64 WeakPolarHBondContact O-CG1 3.27Å; S60-I64 PolarHBondContact O-N 2.89Å; S61-I64 PolarHBondContact O-N 2.91Å; F62-I64 PolarHBondContact O-N 2.96Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3Å; I64-I67 PolarHBondContact O-N 3.25Å; I64-I67 VanDerWaalsContact O-N 3.14Å; I64-I68 HydrophobicContact CG2-CD1 3.79Å; I64-I68 HydrophobicContact CG2-CG1 4.31Å; I64-I68 WeakPolarHBondContact O-CG1 3.34Å; I64-I68 PolarHBondContact O-N 2.93Å; I64-C97 WeakPolarHBondContact CG1-SG 3.28Å
65L96.2Very high93.8Very high81 Ų8143.8 Ų43.842%0.42423%0.23SC..Hα-helixtrans-59.1-44.4178.2-174.467.1000111.4L20 S61 F62 C63 I67 I68 L69L20-L65 HydrophobicContact CD2-CD1 4.45Å; S61-L65 PolarHBondContact O-N 3.44Å; F62-L65 WeakPolarHBondContact O-CB 3.33Å; F62-L65 PolarHBondContact O-N 2.86Å; C63-L65 VanDerWaalsContact C-N 3.32Å; C63-L65 PolarHBondContact O-N 2.9Å; L65-I67 VanDerWaalsContact C-N 3.33Å; L65-I67 PolarHBondContact O-N 3.48Å; L65-I68 PolarHBondContact O-N 2.75Å; L65-L69 WeakPolarHBondContact O-CG 3.5Å; L65-L69 PolarHBondContact O-N 3.24Å
66L96.1Very high93.4Very high62 Ų6250.3 Ų50.333%0.32525%0.245SC..Hα-helixtrans-60.6-41.6175.2-68.1-179.5000112.1F62 C63 I64 L69 L70F62-L66 HydrophobicContact CD1-CD1 4.12Å; F62-L66 HydrophobicContact CE1-CD1 3.58Å; F62-L66 HydrophobicContact CE1-CG 4.18Å; F62-L66 HydrophobicContact CZ-CD1 4.01Å; F62-L66 HydrophobicContact CZ-CD2 4.32Å; F62-L66 HydrophobicContact CZ-CG 4.26Å; F62-L66 PolarHBondContact O-N 3.35Å; F62-L66 VanDerWaalsContact O-N 3.07Å; C63-L66 PolarHBondContact O-N 3.46Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3Å; L66-L69 PolarHBondContact O-N 3.35Å; L66-L70 WeakPolarHBondContact O-CB 3.32Å; L66-L70 VanDerWaalsContact O-CG 3.28Å; L66-L70 WeakPolarHBondContact O-CG 3.37Å; L66-L70 PolarHBondContact O-N 3.26Å
67I95.5Very high92.9Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-64.8-43.2177.9-62.1158000110.8L16 C63 I64 L65 L69 L70 D71 R90 L93 L94L16-I67 HydrophobicContact CD1-CB 4.29Å; L16-I67 HydrophobicContact CD1-CG2 3.52Å; C63-I67 WeakPolarHBondContact O-CD1 3.36Å; C63-I67 VanDerWaalsContact O-CG1 3.27Å; C63-I67 WeakPolarHBondContact O-CG1 3.36Å; C63-I67 PolarHBondContact O-N 3.27Å; I64-I67 PolarHBondContact O-N 3.25Å; I64-I67 VanDerWaalsContact O-N 3.14Å; L65-I67 VanDerWaalsContact C-N 3.33Å; L65-I67 PolarHBondContact O-N 3.48Å; I67-L69 VanDerWaalsContact C-N 3.31Å; I67-L69 PolarHBondContact O-N 3.46Å; I67-L70 WeakPolarHBondContact O-CB 3.38Å; I67-L70 PolarHBondContact O-N 3.4Å; I67-D71 WeakPolarHBondContact O-CB 3.34Å; I67-D71 PolarHBondContact O-N 3.35Å; I67-R90 HydrophobicContact CG2-CG 4.43Å; I67-L93 HydrophobicContact CD1-CB 3.87Å; I67-L93 HydrophobicContact CG1-CB 3.71Å; I67-L93 HydrophobicContact CG1-CD1 4.19Å; I67-L94 HydrophobicContact CD1-CD2 3.78Å; I67-L94 HydrophobicContact CD1-CG 3.89Å; I67-L94 HydrophobicContact CG2-CD2 4.46Å
68I95.3Very high91.9Very high14 Ų1456.7 Ų56.77%0.07228%0.279CS..Hα-helixtrans-58.6-45.4175.9-69.3167.3000110.4L16 I17 L20 I64 L65 D71 I72L16-I68 HydrophobicContact CB-CD1 4.06Å; L16-I68 HydrophobicContact CB-CG1 3.75Å; L16-I68 HydrophobicContact CD1-CG1 4.24Å; I17-I68 HydrophobicContact CG1-CD1 4.01Å; L20-I68 HydrophobicContact CD2-CD1 4.14Å; I64-I68 HydrophobicContact CG2-CD1 3.79Å; I64-I68 HydrophobicContact CG2-CG1 4.31Å; I64-I68 WeakPolarHBondContact O-CG1 3.34Å; I64-I68 PolarHBondContact O-N 2.93Å; L65-I68 PolarHBondContact O-N 2.75Å; I68-D71 PolarHBondContact O-N 2.96Å; I68-I72 HydrophobicContact CG2-CD1 3.77Å; I68-I72 HydrophobicContact CG2-CG1 4.47Å; I68-I72 VanDerWaalsContact O-CG1 3.26Å; I68-I72 WeakPolarHBondContact O-CG1 3.24Å; I68-I72 PolarHBondContact O-N 2.9Å
69L93.9Very high91.2Very high89 Ų8961.1 Ų61.147%0.46630%0.295SS..Hα-helixtrans-62.2-44177.2-68.8176.1000111.9L65 L66 I67 I72 I73L65-L69 WeakPolarHBondContact O-CG 3.5Å; L65-L69 PolarHBondContact O-N 3.24Å; L66-L69 PolarHBondContact O-N 3.35Å; I67-L69 VanDerWaalsContact C-N 3.31Å; I67-L69 PolarHBondContact O-N 3.46Å; L69-I72 PolarHBondContact O-N 3.5Å; L69-I73 WeakPolarHBondContact O-CD1 3.33Å; L69-I73 VanDerWaalsContact O-CG1 3.26Å; L69-I73 WeakPolarHBondContact O-CG1 3.3Å; L69-I73 PolarHBondContact O-N 2.91Å
70L92Very high90.4Very high45 Ų4559.8 Ų59.824%0.23629%0.288CS..Hα-helixtrans-59.9-44.6175.9-76.6174.7000111.8L66 I67 I73 C74 Y86 I89 L93L66-L70 WeakPolarHBondContact O-CB 3.32Å; L66-L70 VanDerWaalsContact O-CG 3.28Å; L66-L70 WeakPolarHBondContact O-CG 3.37Å; L66-L70 PolarHBondContact O-N 3.26Å; I67-L70 WeakPolarHBondContact O-CB 3.38Å; I67-L70 PolarHBondContact O-N 3.4Å; L70-I73 PolarHBondContact O-N 2.95Å; L70-C74 PolarHBondContact O-N 3.39Å; L70-Y86 HydrophobicContact CB-CE2 4.06Å; L70-I89 HydrophobicContact CD1-CG2 4.28Å; L70-L93 HydrophobicContact CD1-CD1 3.58Å
71D91.2Very high89.4Confident0 Ų060.5 Ų60.50%029%0.293CS..Hα-helixtrans-67.3-38.4179.4-72.92.5000111.4I13 I67 I68 I73 C74 L75 Y86 R90I13-D71 HydrophobicContact CD1-CB 3.86Å; I13-D71 HydrophobicContact CG1-CB 3.65Å; I67-D71 WeakPolarHBondContact O-CB 3.34Å; I67-D71 PolarHBondContact O-N 3.35Å; I68-D71 PolarHBondContact O-N 2.96Å; D71-I73 VanDerWaalsContact C-N 3.34Å; D71-I73 PolarHBondContact O-N 3.28Å; D71-C74 PolarHBondContact O-N 2.83Å; D71-L75 WeakPolarHBondContact O-CG 3.32Å; D71-L75 PolarHBondContact O-N 3.3Å; D71-Y86 PolarHBondContact OD1-OH 3.4Å; D71-R90 WeakPolarHBondContact OD1-CD 3.44Å; D71-R90 IonicContact OD1-CZ 3.68Å; D71-R90 IonicContact OD1-NE 2.82Å; D71-R90 PolarHBondContact OD1-NE 2.69Å; D71-R90 IonicContact OD1-NH2 3.74Å; D71-R90 IonicContact OD2-CZ 3.53Å; D71-R90 IonicContact OD2-NE 3.34Å; D71-R90 PolarHBondContact OD2-NE 2.93Å; D71-R90 IonicContact OD2-NH2 2.84Å; D71-R90 PolarHBondContact OD2-NH2 2.95Å
72I90.6Very high88.6Confident65 Ų6565 Ų6533%0.33332%0.321SS..Hα-helixtrans-63.9-37.2173.5-68.7166000111.9I13 I68 L69I13-I72 HydrophobicContact CD1-CG1 4.29Å; I68-I72 HydrophobicContact CG2-CD1 3.77Å; I68-I72 HydrophobicContact CG2-CG1 4.47Å; I68-I72 VanDerWaalsContact O-CG1 3.26Å; I68-I72 WeakPolarHBondContact O-CG1 3.24Å; I68-I72 PolarHBondContact O-N 2.9Å; L69-I72 PolarHBondContact O-N 3.5Å
73I89.6Confident88.1Confident79 Ų7964.5 Ų64.541%0.40532%0.319SS..Hα-helixtrans-67.2-42.2174.8-65.8163000109.9L69 L70 D71 L75 R76 S77 L80L69-I73 WeakPolarHBondContact O-CD1 3.33Å; L69-I73 VanDerWaalsContact O-CG1 3.26Å; L69-I73 WeakPolarHBondContact O-CG1 3.3Å; L69-I73 PolarHBondContact O-N 2.91Å; L70-I73 PolarHBondContact O-N 2.95Å; D71-I73 VanDerWaalsContact C-N 3.34Å; D71-I73 PolarHBondContact O-N 3.28Å; I73-L75 VanDerWaalsContact C-N 3.33Å; I73-L75 PolarHBondContact O-N 3.33Å; I73-R76 PolarHBondContact O-N 3.16Å; I73-S77 PolarHBondContact O-N 2.84Å; I73-L80 HydrophobicContact CG2-CD2 3.71Å
74C86.4Confident87.7Confident4 Ų468.3 Ų68.33%0.02735%0.345CS..Hα-helixtrans-64.2-34.7177.9-107.40000113.5L70 D71 R76 S77 S81 Y86L70-C74 PolarHBondContact O-N 3.39Å; D71-C74 PolarHBondContact O-N 2.83Å; C74-R76 PolarHBondContact O-N 2.81Å; C74-R76 VanDerWaalsContact O-N 3.15Å; C74-S77 CarbonylContact O-C 3.45Å; C74-S77 PolarHBondContact O-N 3.45Å; C74-S81 VanDerWaalsContact SG-CA 3.59Å; C74-S81 PolarHBondContact SG-N 3.25Å; C74-Y86 HydrophobicContact CB-CE1 4.36Å; C74-Y86 HydrophobicContact CB-CE2 4.19Å; C74-Y86 WeakPolarHBondContact SG-CE1 3.21Å; C74-Y86 WeakPolarHBondContact SG-CE2 3.5Å
75L84.7Confident87.3Confident64 Ų6470.3 Ų70.334%0.33536%0.362SS..Hα-helixtrans-58.1-26172.2-76.4175.4000113.2I10 I13 D71 I73I10-L75 HydrophobicContact CG1-CD2 4.32Å; I13-L75 HydrophobicContact CD1-CD1 3.49Å; I13-L75 VanDerWaalsContact CD1-CD1 3.49Å; I13-L75 HydrophobicContact CD1-CG 4.25Å; D71-L75 WeakPolarHBondContact O-CG 3.32Å; D71-L75 PolarHBondContact O-N 3.3Å; I73-L75 VanDerWaalsContact C-N 3.33Å; I73-L75 PolarHBondContact O-N 3.33Å
76R85.4Confident87Confident203 Ų20367 Ų6777%0.76634%0.344SS*.Hα-helixtrans-94.8-12.1178.3-67.8-171.2-82.1-169.4-3.7113.7I73 C74I73-R76 PolarHBondContact O-N 3.16Å; C74-R76 PolarHBondContact O-N 2.81Å; C74-R76 VanDerWaalsContact O-N 3.15Å
77S84.7Confident86.6Confident47 Ų4768.3 Ų68.333%0.32935%0.351SS..  trans-136.896.7-174-168.90000111.8I73 C74 K79 L80 S81I73-S77 PolarHBondContact O-N 2.84Å; C74-S77 CarbonylContact O-C 3.45Å; C74-S77 PolarHBondContact O-N 3.45Å; S77-K79 PolarHBondContact O-N 3.29Å; S77-L80 PolarHBondContact O-N 3.27Å; S77-L80 VanDerWaalsContact O-N 3.07Å; S77-S81 PolarHBondContact O-N 2.88Å
78E74.2Confident86.5Confident126 Ų12671.7 Ų71.759%0.58937%0.371SS*.Hα-helixtrans-58.7-34.3176.1-63.5-171.4166.500112.2T2 L80 S81T2-E78 VanDerWaalsContact CG2-OE1 3.23Å; T2-E78 WeakPolarHBondContact CG2-OE1 3.22Å; E78-L80 VanDerWaalsContact C-N 3.29Å; E78-L80 PolarHBondContact O-N 3.49Å; E78-S81 WeakPolarHBondContact O-CB 3.22Å; E78-S81 PolarHBondContact O-N 3.32Å
79K81Confident86.4Confident179 Ų17975.3 Ų75.378%0.77839%0.39SS*.Hα-helixtrans-64.8-31.8177.9-170.1175.6-178.2179.70112.7S77 T82S77-K79 PolarHBondContact O-N 3.29Å; K79-T82 PolarHBondContact O-OG1 2.95Å
80L78.7Confident86.4Confident56 Ų5672.6 Ų72.629%0.29337%0.373SS..Hα-helixtrans-76.2-36178-169.765.9000111.4I73 S77 E78 T82 H83 Y86I73-L80 HydrophobicContact CG2-CD2 3.71Å; S77-L80 PolarHBondContact O-N 3.27Å; S77-L80 VanDerWaalsContact O-N 3.07Å; E78-L80 VanDerWaalsContact C-N 3.29Å; E78-L80 PolarHBondContact O-N 3.49Å; L80-T82 VanDerWaalsContact C-N 3.26Å; L80-T82 PolarHBondContact O-N 3.48Å; L80-H83 VanDerWaalsContact O-CB 3.3Å; L80-H83 WeakPolarHBondContact O-CB 3.2Å; L80-H83 PolarHBondContact O-N 3.29Å; L80-Y86 HydrophobicContact CG-CD2 4.39Å; L80-Y86 HydrophobicContact CG-CG 4.41Å
81S75.4Confident86.4Confident14 Ų1476.5 Ų76.510%0.09839%0.389CS..Hα-helixtrans-59.7-34.7-179.7178.70000113.1Y9 C74 S77 E78Y9-S81 VanDerWaalsContact CE2-OG 3.3Å; Y9-S81 WeakPolarHBondContact CE2-OG 3.42Å; Y9-S81 PolarHBondContact OH-OG 3.42Å; C74-S81 VanDerWaalsContact SG-CA 3.59Å; C74-S81 PolarHBondContact SG-N 3.25Å; S77-S81 PolarHBondContact O-N 2.88Å; E78-S81 WeakPolarHBondContact O-CB 3.22Å; E78-S81 PolarHBondContact O-N 3.32Å
82T79.2Confident86.7Confident108 Ų10880.5 Ų80.566%0.66341%0.409SS*.THydrogen-bonded Turntrans-88.5-4.9178.656.70000113.3K79 L80 C84K79-T82 PolarHBondContact O-OG1 2.95Å; L80-T82 VanDerWaalsContact C-N 3.26Å; L80-T82 PolarHBondContact O-N 3.48Å; T82-C84 PolarHBondContact O-N 3Å
83H87.4Confident86.9Confident105 Ų10578.8 Ų78.849%0.48640%0.401SS..  trans-76.8121.4-176.3-162.3-81.8000110.9L80 A85 Y86 I87L80-H83 VanDerWaalsContact O-CB 3.3Å; L80-H83 WeakPolarHBondContact O-CB 3.2Å; L80-H83 PolarHBondContact O-N 3.29Å; H83-A85 VanDerWaalsContact C-N 3.27Å; H83-A85 WeakPolarHBondContact ND1-CB 3.41Å; H83-A85 PolarHBondContact ND1-N 3.47Å; H83-A85 PolarHBondContact O-N 3.2Å; H83-Y86 WeakPolarHBondContact O-CB 3.49Å; H83-Y86 PolarHBondContact O-N 3.23Å; H83-I87 PolarHBondContact O-N 2.74Å
84C87.6Confident87.1Confident91 Ų9177.9 Ų77.962%0.61540%0.396SS*.Hα-helixtrans-53.1-42.6-177.4-175.90000112.8T82 Y86 I87 V88T82-C84 PolarHBondContact O-N 3Å; C84-Y86 VanDerWaalsContact C-N 3.31Å; C84-Y86 PolarHBondContact O-N 2.85Å; C84-I87 PolarHBondContact O-N 3.32Å; C84-V88 WeakPolarHBondContact O-CG2 3.38Å; C84-V88 PolarHBondContact O-N 2.92Å
85A88.9Confident87.6Confident45 Ų4581.3 Ų81.337%0.37241%0.414SS..Hα-helixtrans-60.3-37.4179.200000113.3H83 I89H83-A85 VanDerWaalsContact C-N 3.27Å; H83-A85 WeakPolarHBondContact ND1-CB 3.41Å; H83-A85 PolarHBondContact ND1-N 3.47Å; H83-A85 PolarHBondContact O-N 3.2Å; A85-I89 WeakPolarHBondContact O-CB 3.37Å; A85-I89 WeakPolarHBondContact O-CD1 3.32Å; A85-I89 WeakPolarHBondContact O-CG1 3.3Å; A85-I89 PolarHBondContact O-N 3.01Å
86Y88.6Confident88.1Confident10 Ų1082 Ų824%0.03942%0.417CS..Hα-helixtrans-65.4-47.2177.3162.6-96.7000110.8Y9 L70 D71 C74 L80 H83 C84 V88 I89 R90Y9-Y86 HydrophobicContact CE1-CE1 4.18Å; Y9-Y86 WeakPolarHBondContact CE1-OH 3.33Å; L70-Y86 HydrophobicContact CB-CE2 4.06Å; D71-Y86 PolarHBondContact OD1-OH 3.4Å; C74-Y86 HydrophobicContact CB-CE1 4.36Å; C74-Y86 HydrophobicContact CB-CE2 4.19Å; C74-Y86 WeakPolarHBondContact SG-CE1 3.21Å; C74-Y86 WeakPolarHBondContact SG-CE2 3.5Å; L80-Y86 HydrophobicContact CG-CD2 4.39Å; L80-Y86 HydrophobicContact CG-CG 4.41Å; H83-Y86 WeakPolarHBondContact O-CB 3.49Å; H83-Y86 PolarHBondContact O-N 3.23Å; C84-Y86 VanDerWaalsContact C-N 3.31Å; C84-Y86 PolarHBondContact O-N 2.85Å; Y86-V88 VanDerWaalsContact C-N 3.3Å; Y86-V88 PolarHBondContact O-N 3.34Å; Y86-I89 PolarHBondContact O-N 3.12Å; Y86-R90 VanDerWaalsContact O-CB 3.28Å; Y86-R90 WeakPolarHBondContact O-CB 3.41Å; Y86-R90 PolarHBondContact O-N 2.97Å; Y86-R90 WeakPolarHBondContact OH-CD 3.45Å
87I88.6Confident88.6Confident91 Ų9172.6 Ų72.647%0.46738%0.383SS..Hα-helixtrans-58.1-46179.2-61.1172.9000110.2H83 C84 F91H83-I87 PolarHBondContact O-N 2.74Å; C84-I87 PolarHBondContact O-N 3.32Å; I87-F91 VanDerWaalsContact O-CB 3.3Å; I87-F91 WeakPolarHBondContact O-CB 3.49Å; I87-F91 PolarHBondContact O-N 2.94Å
88V93.5Very high89Confident71 Ų7173 Ų7343%0.4339%0.389SS..Hα-helixtrans-64.7-46.9179.1173.70000111.6C84 Y86 R90 F91 I92C84-V88 WeakPolarHBondContact O-CG2 3.38Å; C84-V88 PolarHBondContact O-N 2.92Å; Y86-V88 VanDerWaalsContact C-N 3.3Å; Y86-V88 PolarHBondContact O-N 3.34Å; V88-R90 PolarHBondContact O-N 3.5Å; V88-F91 PolarHBondContact O-N 2.69Å; V88-I92 HydrophobicContact CG1-CD1 3.69Å; V88-I92 HydrophobicContact CG1-CG1 4.4Å; V88-I92 VanDerWaalsContact O-CG1 3.29Å; V88-I92 WeakPolarHBondContact O-CG1 3.45Å; V88-I92 PolarHBondContact O-N 3.04Å
89I93.6Very high90.1Very high89 Ų8971.5 Ų71.546%0.45638%0.384SS..Hα-helixtrans-61.1-47.4178.5-71.1165.2000110.7L70 A85 Y86 F91 I92 L93L70-I89 HydrophobicContact CD1-CG2 4.28Å; A85-I89 WeakPolarHBondContact O-CB 3.37Å; A85-I89 WeakPolarHBondContact O-CD1 3.32Å; A85-I89 WeakPolarHBondContact O-CG1 3.3Å; A85-I89 PolarHBondContact O-N 3.01Å; Y86-I89 PolarHBondContact O-N 3.12Å; I89-F91 VanDerWaalsContact C-N 3.3Å; I89-F91 PolarHBondContact O-N 3.49Å; I89-I92 PolarHBondContact O-N 3.37Å; I89-L93 HydrophobicContact CG2-CD1 3.87Å; I89-L93 HydrophobicContact CG2-CG 4.39Å; I89-L93 WeakPolarHBondContact O-CB 3.44Å; I89-L93 WeakPolarHBondContact O-CG 3.5Å; I89-L93 PolarHBondContact O-N 3.02Å
90R92.9Very high90.8Very high33 Ų3363.3 Ų63.313%0.12535%0.35CS..Hα-helixtrans-57.9-45177.4-177-179.8-171.9-111.90.4111.2C12 I67 D71 Y86 V88 L93 L94C12-R90 PolarHBondContact SG-NH2 3Å; C12-R90 VanDerWaalsContact SG-NH2 3.41Å; I67-R90 HydrophobicContact CG2-CG 4.43Å; D71-R90 WeakPolarHBondContact OD1-CD 3.44Å; D71-R90 IonicContact OD1-CZ 3.68Å; D71-R90 IonicContact OD1-NE 2.82Å; D71-R90 PolarHBondContact OD1-NE 2.69Å; D71-R90 IonicContact OD1-NH2 3.74Å; D71-R90 IonicContact OD2-CZ 3.53Å; D71-R90 IonicContact OD2-NE 3.34Å; D71-R90 PolarHBondContact OD2-NE 2.93Å; D71-R90 IonicContact OD2-NH2 2.84Å; D71-R90 PolarHBondContact OD2-NH2 2.95Å; Y86-R90 VanDerWaalsContact O-CB 3.28Å; Y86-R90 WeakPolarHBondContact O-CB 3.41Å; Y86-R90 PolarHBondContact O-N 2.97Å; Y86-R90 WeakPolarHBondContact OH-CD 3.45Å; V88-R90 PolarHBondContact O-N 3.5Å; R90-L93 PolarHBondContact O-N 2.97Å; R90-L94 HydrophobicContact CG-CD1 4.13Å; R90-L94 WeakPolarHBondContact O-CB 3.26Å; R90-L94 WeakPolarHBondContact O-CG 3.48Å; R90-L94 PolarHBondContact O-N 3.32Å
91F92.8Very high91.6Very high126 Ų12662.5 Ų62.555%0.55335%0.345SS*.Hα-helixtrans-64.1-45.2178.4-177.7-108000112.3I87 V88 I89 L93 L94 L95I87-F91 VanDerWaalsContact O-CB 3.3Å; I87-F91 WeakPolarHBondContact O-CB 3.49Å; I87-F91 PolarHBondContact O-N 2.94Å; V88-F91 PolarHBondContact O-N 2.69Å; I89-F91 VanDerWaalsContact C-N 3.3Å; I89-F91 PolarHBondContact O-N 3.49Å; F91-L93 PolarHBondContact O-N 3.33Å; F91-L94 PolarHBondContact O-N 2.91Å; F91-L95 HydrophobicContact CD1-CD1 3.82Å; F91-L95 HydrophobicContact CD1-CG 4.38Å; F91-L95 HydrophobicContact CE1-CD1 3.29Å; F91-L95 HydrophobicContact CE1-CG 4.03Å; F91-L95 HydrophobicContact CE2-CD1 4.45Å; F91-L95 HydrophobicContact CE2-CG 4.35Å; F91-L95 HydrophobicContact CZ-CD1 3.67Å; F91-L95 HydrophobicContact CZ-CD2 4.27Å; F91-L95 HydrophobicContact CZ-CG 4Å; F91-L95 WeakPolarHBondContact O-CB 3.28Å; F91-L95 WeakPolarHBondContact O-CG 3.25Å; F91-L95 PolarHBondContact O-N 3.45Å
92I96.1Very high92.5Very high85 Ų8566 Ų6644%0.43636%0.363SS..Hα-helixtrans-61.8-44.9177.1-69.3167.9000110.8V88 I89 L94 L95 I96V88-I92 HydrophobicContact CG1-CD1 3.69Å; V88-I92 HydrophobicContact CG1-CG1 4.4Å; V88-I92 VanDerWaalsContact O-CG1 3.29Å; V88-I92 WeakPolarHBondContact O-CG1 3.45Å; V88-I92 PolarHBondContact O-N 3.04Å; I89-I92 PolarHBondContact O-N 3.37Å; I92-L94 PolarHBondContact O-N 3.3Å; I92-L95 PolarHBondContact O-N 2.93Å; I92-I96 HydrophobicContact CG2-CD1 3.73Å; I92-I96 HydrophobicContact CG2-CG1 4.37Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.34Å; I92-I96 PolarHBondContact O-N 3.32Å
93L95.5Very high93.3Very high29 Ų2964.5 Ų64.515%0.15235%0.35CS..Hα-helixtrans-62-43.8177.4-73.2171.5000111.9I67 L70 I89 R90 F91 L95 I96 C97I67-L93 HydrophobicContact CD1-CB 3.87Å; I67-L93 HydrophobicContact CG1-CB 3.71Å; I67-L93 HydrophobicContact CG1-CD1 4.19Å; L70-L93 HydrophobicContact CD1-CD1 3.58Å; I89-L93 HydrophobicContact CG2-CD1 3.87Å; I89-L93 HydrophobicContact CG2-CG 4.39Å; I89-L93 WeakPolarHBondContact O-CB 3.44Å; I89-L93 WeakPolarHBondContact O-CG 3.5Å; I89-L93 PolarHBondContact O-N 3.02Å; R90-L93 PolarHBondContact O-N 2.97Å; F91-L93 PolarHBondContact O-N 3.33Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 2.91Å; L93-I96 PolarHBondContact O-N 3.11Å; L93-C97 VanDerWaalsContact O-CB 3.28Å; L93-C97 WeakPolarHBondContact O-CB 3.33Å; L93-C97 PolarHBondContact O-N 2.86Å
94L94.8Very high93.6Very high60 Ų6059.5 Ų59.531%0.31433%0.326SS..Hα-helixtrans-61-42.4175.2-78.9167.5000111.6L16 I67 R90 F91 I92 C97 A98L16-L94 HydrophobicContact CD2-CD2 4.19Å; I67-L94 HydrophobicContact CD1-CD2 3.78Å; I67-L94 HydrophobicContact CD1-CG 3.89Å; I67-L94 HydrophobicContact CG2-CD2 4.46Å; R90-L94 HydrophobicContact CG-CD1 4.13Å; R90-L94 WeakPolarHBondContact O-CB 3.26Å; R90-L94 WeakPolarHBondContact O-CG 3.48Å; R90-L94 PolarHBondContact O-N 3.32Å; F91-L94 PolarHBondContact O-N 2.91Å; I92-L94 PolarHBondContact O-N 3.3Å; L94-C97 PolarHBondContact O-N 3.2Å; L94-A98 WeakPolarHBondContact O-CB 3.49Å; L94-A98 PolarHBondContact O-N 2.89Å
95L95.2Very high93.8Very high76 Ų7657.7 Ų57.740%0.39831%0.312SS..Hα-helixtrans-63.3-48.8176.5-79.6179.5000112.2F91 I92 L93 C97 A98 I99F91-L95 HydrophobicContact CD1-CD1 3.82Å; F91-L95 HydrophobicContact CD1-CG 4.38Å; F91-L95 HydrophobicContact CE1-CD1 3.29Å; F91-L95 HydrophobicContact CE1-CG 4.03Å; F91-L95 HydrophobicContact CE2-CD1 4.45Å; F91-L95 HydrophobicContact CE2-CG 4.35Å; F91-L95 HydrophobicContact CZ-CD1 3.67Å; F91-L95 HydrophobicContact CZ-CD2 4.27Å; F91-L95 HydrophobicContact CZ-CG 4Å; F91-L95 WeakPolarHBondContact O-CB 3.28Å; F91-L95 WeakPolarHBondContact O-CG 3.25Å; F91-L95 PolarHBondContact O-N 3.45Å; I92-L95 PolarHBondContact O-N 2.93Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 2.91Å; L95-C97 PolarHBondContact O-N 2.76Å; L95-A98 PolarHBondContact O-N 3.2Å; L95-I99 WeakPolarHBondContact O-CB 3.4Å; L95-I99 WeakPolarHBondContact O-CD1 3.37Å; L95-I99 WeakPolarHBondContact O-CG1 3.4Å; L95-I99 PolarHBondContact O-N 2.89Å
96I96.3Very high94Very high77 Ų7757.9 Ų57.940%0.39531%0.307SS..Hα-helixtrans-56.6-45.7177.3-70.1167.2000109.7I92 L93 I99 A100I92-I96 HydrophobicContact CG2-CD1 3.73Å; I92-I96 HydrophobicContact CG2-CG1 4.37Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.34Å; I92-I96 PolarHBondContact O-N 3.32Å; L93-I96 PolarHBondContact O-N 3.11Å; I96-I99 PolarHBondContact O-N 3.48Å; I96-A100 VanDerWaalsContact O-CB 3.27Å; I96-A100 WeakPolarHBondContact O-CB 3.24Å; I96-A100 PolarHBondContact O-N 2.86Å
97C94.8Very high94.1Very high7 Ų759.8 Ų59.85%0.04732%0.317CS..Hα-helixtrans-64.2-45.2179.9-164.90000112.7S60 C63 I64 L93 L94 L95 A100 L101S60-C97 PolarHBondContact O-SG 3.42Å; C63-C97 HydrophobicContact CB-CB 4.09Å; I64-C97 WeakPolarHBondContact CG1-SG 3.28Å; L93-C97 VanDerWaalsContact O-CB 3.28Å; L93-C97 WeakPolarHBondContact O-CB 3.33Å; L93-C97 PolarHBondContact O-N 2.86Å; L94-C97 PolarHBondContact O-N 3.2Å; L95-C97 PolarHBondContact O-N 2.76Å; C97-A100 PolarHBondContact O-N 3.48Å; C97-L101 WeakPolarHBondContact O-CB 3.18Å; C97-L101 WeakPolarHBondContact O-CG 3.48Å; C97-L101 PolarHBondContact O-N 3.42Å
98A95Very high94.1Very high56 Ų5656.5 Ų56.546%0.46330%0.299SS..Hα-helixtrans-63.4-44.2178.400000111.5L94 L95 L102L94-A98 WeakPolarHBondContact O-CB 3.49Å; L94-A98 PolarHBondContact O-N 2.89Å; L95-A98 PolarHBondContact O-N 3.2Å; A98-L102 WeakPolarHBondContact O-CB 3.46Å; A98-L102 PolarHBondContact O-N 2.91Å
99I95.9Very high93.9Very high94 Ų9453.6 Ų53.648%0.48228%0.282SS..Hα-helixtrans-64.5-45.8178.6-68.2166.1000110.4L95 I96 L102 I103L95-I99 WeakPolarHBondContact O-CB 3.4Å; L95-I99 WeakPolarHBondContact O-CD1 3.37Å; L95-I99 WeakPolarHBondContact O-CG1 3.4Å; L95-I99 PolarHBondContact O-N 2.89Å; I96-I99 PolarHBondContact O-N 3.48Å; I99-L102 PolarHBondContact O-N 2.87Å; I99-I103 HydrophobicContact CG2-CD1 3.52Å; I99-I103 HydrophobicContact CG2-CG1 4.21Å; I99-I103 WeakPolarHBondContact O-CB 3.36Å; I99-I103 WeakPolarHBondContact O-CG1 3.32Å; I99-I103 PolarHBondContact O-N 3.35Å
100A96.9Very high93.7Very high7 Ų753.1 Ų53.16%0.05828%0.279CS..Hα-helixtrans-63.5-44.9-179.900000112.3L56 S60 I96 C97 G104L56-A100 HydrophobicContact CD2-CB 4.13Å; S60-A100 WeakPolarHBondContact OG-CB 3.33Å; I96-A100 VanDerWaalsContact O-CB 3.27Å; I96-A100 WeakPolarHBondContact O-CB 3.24Å; I96-A100 PolarHBondContact O-N 2.86Å; C97-A100 PolarHBondContact O-N 3.48Å; A100-G104 PolarHBondContact O-N 3.49Å
101L95.2Very high93.4Very high39 Ų3955.2 Ų55.220%0.20429%0.292CS..Hα-helixtrans-60.8-46.7173.4-74.7174.5000111.6F57 S60 C97 I103 G104 V105F57-L101 HydrophobicContact CD1-CD2 3.91Å; F57-L101 HydrophobicContact CE1-CD2 4.22Å; S60-L101 WeakPolarHBondContact OG-CG 3.38Å; S60-L101 PolarHBondContact OG-N 2.86Å; C97-L101 WeakPolarHBondContact O-CB 3.18Å; C97-L101 WeakPolarHBondContact O-CG 3.48Å; C97-L101 PolarHBondContact O-N 3.42Å; L101-I103 PolarHBondContact O-N 3.49Å; L101-G104 PolarHBondContact O-N 3.34Å; L101-V105 WeakPolarHBondContact O-CG2 3.45Å; L101-V105 PolarHBondContact O-N 3.04Å
102L94.3Very high93Very high88 Ų8850.6 Ų50.646%0.46127%0.273SS..Hα-helixtrans-62.5-45.6-178.5-173.668.3000111.4A98 I99 G104 V105 L106 F119A98-L102 WeakPolarHBondContact O-CB 3.46Å; A98-L102 PolarHBondContact O-N 2.91Å; I99-L102 PolarHBondContact O-N 2.87Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 3.49Å; L102-V105 PolarHBondContact O-N 2.93Å; L102-L106 HydrophobicContact CD1-CD1 4.27Å; L102-L106 HydrophobicContact CD1-CG 4.42Å; L102-L106 HydrophobicContact CD2-CD1 4.41Å; L102-L106 HydrophobicContact CG-CD1 3.84Å; L102-L106 HydrophobicContact CG-CG 4.37Å; L102-L106 VanDerWaalsContact O-CB 3.25Å; L102-L106 WeakPolarHBondContact O-CB 3.44Å; L102-L106 VanDerWaalsContact O-CG 3.24Å; L102-L106 WeakPolarHBondContact O-CG 3.18Å; L102-L106 PolarHBondContact O-N 3.46Å; L102-F119 HydrophobicContact CD1-CZ 4.28Å
103I95.3Very high92.2Very high76 Ų7649.1 Ų49.139%0.3927%0.266SS..Hα-helixtrans-61.8-44.3176.5-67.6170000110.2L56 I99 L101 V105 L106 L107L56-I103 HydrophobicContact CD1-CB 4.19Å; L56-I103 HydrophobicContact CD1-CG2 3.67Å; I99-I103 HydrophobicContact CG2-CD1 3.52Å; I99-I103 HydrophobicContact CG2-CG1 4.21Å; I99-I103 WeakPolarHBondContact O-CB 3.36Å; I99-I103 WeakPolarHBondContact O-CG1 3.32Å; I99-I103 PolarHBondContact O-N 3.35Å; L101-I103 PolarHBondContact O-N 3.49Å; I103-V105 PolarHBondContact O-N 3.46Å; I103-L106 PolarHBondContact O-N 3.37Å; I103-L107 HydrophobicContact CG2-CD1 3.9Å; I103-L107 HydrophobicContact CG2-CG 4.24Å; I103-L107 WeakPolarHBondContact O-CB 3.16Å; I103-L107 VanDerWaalsContact O-CG 3.28Å; I103-L107 WeakPolarHBondContact O-CG 3.34Å; I103-L107 PolarHBondContact O-N 3.38Å
104G93.3Very high91.4Very high0 Ų054.5 Ų54.50%029%0.288CS..Hα-helixtrans-60-46.6178.500000112.6M53 A100 L101 L102 Y108M53-G104 WeakPolarHBondContact CG-O 3.22Å; A100-G104 PolarHBondContact O-N 3.49Å; L101-G104 PolarHBondContact O-N 3.34Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 3.49Å; G104-Y108 PolarHBondContact O-N 3.48Å
105V92.8Very high91Very high52 Ų5257.6 Ų57.632%0.31530%0.301SS..Hα-helixtrans-69.9-37.1178.4-179.80000111.8F57 L101 L102 I103 Y108 T109 F119F57-V105 HydrophobicContact CE1-CG2 4.01Å; F57-V105 HydrophobicContact CZ-CG2 3.77Å; L101-V105 WeakPolarHBondContact O-CG2 3.45Å; L101-V105 PolarHBondContact O-N 3.04Å; L102-V105 PolarHBondContact O-N 2.93Å; I103-V105 PolarHBondContact O-N 3.46Å; V105-Y108 WeakPolarHBondContact O-CB 3.49Å; V105-Y108 PolarHBondContact O-N 3.34Å; V105-T109 WeakPolarHBondContact O-CB 3.15Å; V105-T109 PolarHBondContact O-N 3.48Å; V105-T109 PolarHBondContact O-OG1 3.26Å; V105-F119 HydrophobicContact CB-CE2 4.38Å; V105-F119 HydrophobicContact CG1-CD2 3.78Å; V105-F119 HydrophobicContact CG1-CE2 3.49Å; V105-F119 VanDerWaalsContact CG1-CE2 3.49Å
106L92Very high90.6Very high49 Ų4959.8 Ų59.826%0.25730%0.304SS..Hα-helixtrans-66.4-43.3176.7-78.1172.4000111.9L102 I103 Y108 T109 I110 W116 F119L102-L106 HydrophobicContact CD1-CD1 4.27Å; L102-L106 HydrophobicContact CD1-CG 4.42Å; L102-L106 HydrophobicContact CD2-CD1 4.41Å; L102-L106 HydrophobicContact CG-CD1 3.84Å; L102-L106 HydrophobicContact CG-CG 4.37Å; L102-L106 VanDerWaalsContact O-CB 3.25Å; L102-L106 WeakPolarHBondContact O-CB 3.44Å; L102-L106 VanDerWaalsContact O-CG 3.24Å; L102-L106 WeakPolarHBondContact O-CG 3.18Å; L102-L106 PolarHBondContact O-N 3.46Å; I103-L106 PolarHBondContact O-N 3.37Å; L106-Y108 VanDerWaalsContact C-N 3.27Å; L106-Y108 PolarHBondContact O-N 2.69Å; L106-T109 PolarHBondContact O-N 2.98Å; L106-I110 HydrophobicContact CB-CD1 4.24Å; L106-I110 WeakPolarHBondContact O-CB 3.33Å; L106-I110 WeakPolarHBondContact O-CD1 3.44Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 3.17Å; L106-W116 HydrophobicContact CD2-CH2 4.42Å; L106-W116 HydrophobicContact CD2-CZ3 4.19Å; L106-F119 HydrophobicContact CD2-CE1 3.75Å; L106-F119 HydrophobicContact CD2-CZ 3.79Å; L106-F119 HydrophobicContact CG-CZ 4.31Å
107L91.1Very high90.3Very high50 Ų5061 Ų6126%0.26232%0.32SS..Hα-helixtrans-54.7-46.9174.9-78.5170000110.8I49 M53 L56 I103 L111I49-L107 HydrophobicContact CG2-CB 4.5Å; M53-L107 HydrophobicContact CG-CB 3.9Å; M53-L107 HydrophobicContact CG-CD1 4.41Å; M53-L107 HydrophobicContact SD-CB 4.45Å; L56-L107 HydrophobicContact CD1-CD1 4.05Å; I103-L107 HydrophobicContact CG2-CD1 3.9Å; I103-L107 HydrophobicContact CG2-CG 4.24Å; I103-L107 WeakPolarHBondContact O-CB 3.16Å; I103-L107 VanDerWaalsContact O-CG 3.28Å; I103-L107 WeakPolarHBondContact O-CG 3.34Å; I103-L107 PolarHBondContact O-N 3.38Å; L107-L111 HydrophobicContact CD2-CD1 4.12Å; L107-L111 WeakPolarHBondContact O-CB 3.34Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.26Å
108Y88.1Confident89.9Confident22 Ų2268.7 Ų68.79%0.08635%0.349CS..Hα-helixtrans-60.5-49.8175.3-169.6-108.3000112.7W32 N33 M53 G104 V105 L106 I110 I112 D113W32-Y108 HydrophobicContact CE3-CD1 4.39Å; W32-Y108 HydrophobicContact CE3-CD2 4.01Å; W32-Y108 AromaticContact CE3-CE1 3.95Å; W32-Y108 HydrophobicContact CE3-CE1 3.95Å; W32-Y108 AromaticContact CE3-CE2 3.54Å; W32-Y108 HydrophobicContact CE3-CE2 3.54Å; W32-Y108 HydrophobicContact CE3-CG 4.42Å; W32-Y108 AromaticContact CE3-CZ 3.54Å; W32-Y108 AromaticContact CZ3-CD1 3.93Å; W32-Y108 HydrophobicContact CZ3-CD1 3.93Å; W32-Y108 AromaticContact CZ3-CD2 3.99Å; W32-Y108 HydrophobicContact CZ3-CD2 3.99Å; W32-Y108 AromaticContact CZ3-CE1 3.88Å; W32-Y108 HydrophobicContact CZ3-CE1 3.88Å; W32-Y108 AromaticContact CZ3-CE2 3.96Å; W32-Y108 HydrophobicContact CZ3-CE2 3.96Å; W32-Y108 AromaticContact CZ3-CG 3.99Å; W32-Y108 HydrophobicContact CZ3-CG 3.99Å; W32-Y108 AromaticContact CZ3-CZ 3.94Å; N33-Y108 PolarHBondContact N-OH 2.89Å; M53-Y108 VanDerWaalsContact CE-CB 3.41Å; M53-Y108 HydrophobicContact CE-CD2 3.45Å; M53-Y108 VanDerWaalsContact CE-CD2 3.45Å; M53-Y108 HydrophobicContact CE-CG 3.71Å; M53-Y108 VanDerWaalsContact SD-CB 3.58Å; M53-Y108 HydrophobicContact SD-CD2 3.83Å; M53-Y108 HydrophobicContact SD-CG 4.17Å; G104-Y108 PolarHBondContact O-N 3.48Å; V105-Y108 WeakPolarHBondContact O-CB 3.49Å; V105-Y108 PolarHBondContact O-N 3.34Å; L106-Y108 VanDerWaalsContact C-N 3.27Å; L106-Y108 PolarHBondContact O-N 2.69Å; Y108-I110 VanDerWaalsContact C-N 3.33Å; Y108-I110 PolarHBondContact O-N 2.94Å; Y108-I112 HydrophobicContact CD2-CB 3.95Å; Y108-I112 HydrophobicContact CD2-CD1 3.5Å; Y108-I112 VanDerWaalsContact CD2-CD1 3.5Å; Y108-I112 HydrophobicContact CD2-CG1 4.26Å; Y108-I112 HydrophobicContact CD2-CG2 4.26Å; Y108-I112 HydrophobicContact CE2-CB 3.88Å; Y108-I112 HydrophobicContact CE2-CD1 3.79Å; Y108-I112 HydrophobicContact CE2-CG1 4.42Å; Y108-I112 HydrophobicContact CE2-CG2 3.66Å; Y108-I112 WeakPolarHBondContact O-CA 3.42Å; Y108-I112 WeakPolarHBondContact O-CB 3.49Å; Y108-I112 PolarHBondContact O-N 3.23Å; Y108-D113 HydrophobicContact CD1-CB 4.39Å; Y108-D113 HydrophobicContact CE1-CB 3.81Å; Y108-D113 WeakPolarHBondContact CE1-OD2 3.49Å; Y108-D113 VanDerWaalsContact CZ-CG 3.48Å; Y108-D113 VanDerWaalsContact CZ-OD2 3.25Å; Y108-D113 PolarHBondContact O-N 2.98Å; Y108-D113 PolarHBondContact OH-OD1 3.39Å; Y108-D113 VanDerWaalsContact OH-OD1 3.09Å; Y108-D113 PolarHBondContact OH-OD2 2.89Å
109T90.1Very high89.6Confident10 Ų1067.6 Ų67.66%0.06133%0.334CS..Iπ-helixtrans-64.3-39.5-175.9-54.40000111.3V105 L106 K114 W116 F119V105-T109 WeakPolarHBondContact O-CB 3.15Å; V105-T109 PolarHBondContact O-N 3.48Å; V105-T109 PolarHBondContact O-OG1 3.26Å; L106-T109 PolarHBondContact O-N 2.98Å; T109-K114 WeakPolarHBondContact O-CA 3.34Å; T109-K114 PolarHBondContact O-N 3.31Å; T109-W116 HydrophobicContact CG2-CD2 4.17Å; T109-W116 HydrophobicContact CG2-CE3 4.18Å; T109-F119 HydrophobicContact CG2-CB 3.98Å; T109-F119 HydrophobicContact CG2-CG 4.22Å
110I89.4Confident89.3Confident79 Ų7966.7 Ų66.741%0.40534%0.335SS..Iπ-helixtrans-72.3-45.8-178.4-67.4160.9000111L106 Y108 W116L106-I110 HydrophobicContact CB-CD1 4.24Å; L106-I110 WeakPolarHBondContact O-CB 3.33Å; L106-I110 WeakPolarHBondContact O-CD1 3.44Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 3.17Å; Y108-I110 VanDerWaalsContact C-N 3.33Å; Y108-I110 PolarHBondContact O-N 2.94Å; I110-W116 HydrophobicContact CB-CZ2 4.36Å; I110-W116 HydrophobicContact CD1-CH2 4.21Å; I110-W116 HydrophobicContact CG1-CH2 3.52Å; I110-W116 HydrophobicContact CG1-CZ2 3.45Å; I110-W116 VanDerWaalsContact CG1-CZ2 3.45Å
111L87.4Confident89.2Confident77 Ų7769.4 Ų69.440%0.40336%0.357SS..Iπ-helixtrans-97.8-29.9-164.6-60.2171.7000113.1I49 L107I49-L111 HydrophobicContact CB-CD1 4.48Å; I49-L111 HydrophobicContact CD1-CB 4.22Å; I49-L111 HydrophobicContact CD1-CD1 3.63Å; I49-L111 HydrophobicContact CD1-CG 4.43Å; I49-L111 HydrophobicContact CG1-CD1 3.84Å; I49-L111 HydrophobicContact CG2-CB 4.46Å; I49-L111 HydrophobicContact CG2-CD1 3.78Å; L107-L111 HydrophobicContact CD2-CD1 4.12Å; L107-L111 WeakPolarHBondContact O-CB 3.34Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.26Å
112I83.3Confident89.1Confident29 Ų2970.8 Ų70.815%0.14936%0.364CS..Iπ-helixtrans-110.1-73.4-170.9-59.6165.9000111.2N33 I49 I50 M53 Y108N33-I112 HydrophobicContact CB-CG2 4.18Å; I49-I112 HydrophobicContact CG2-CD1 4.49Å; I50-I112 HydrophobicContact CD1-CD1 4.42Å; I50-I112 HydrophobicContact CG1-CD1 3.86Å; M53-I112 HydrophobicContact SD-CD1 4.33Å; Y108-I112 HydrophobicContact CD2-CB 3.95Å; Y108-I112 HydrophobicContact CD2-CD1 3.5Å; Y108-I112 VanDerWaalsContact CD2-CD1 3.5Å; Y108-I112 HydrophobicContact CD2-CG1 4.26Å; Y108-I112 HydrophobicContact CD2-CG2 4.26Å; Y108-I112 HydrophobicContact CE2-CB 3.88Å; Y108-I112 HydrophobicContact CE2-CD1 3.79Å; Y108-I112 HydrophobicContact CE2-CG1 4.42Å; Y108-I112 HydrophobicContact CE2-CG2 3.66Å; Y108-I112 WeakPolarHBondContact O-CA 3.42Å; Y108-I112 WeakPolarHBondContact O-CB 3.49Å; Y108-I112 PolarHBondContact O-N 3.23Å
113D79.4Confident89Confident55 Ų5569.2 Ų69.229%0.29436%0.358SS..Iπ-helixtrans-84.9-25.7-167.7-88.53.2000114.5Y108 H115Y108-D113 HydrophobicContact CD1-CB 4.39Å; Y108-D113 HydrophobicContact CE1-CB 3.81Å; Y108-D113 WeakPolarHBondContact CE1-OD2 3.49Å; Y108-D113 VanDerWaalsContact CZ-CG 3.48Å; Y108-D113 VanDerWaalsContact CZ-OD2 3.25Å; Y108-D113 PolarHBondContact O-N 2.98Å; Y108-D113 PolarHBondContact OH-OD1 3.39Å; Y108-D113 VanDerWaalsContact OH-OD1 3.09Å; Y108-D113 PolarHBondContact OH-OD2 2.89Å; D113-H115 PolarHBondContact O-CD2 2.93Å; D113-H115 VanDerWaalsContact O-CD2 3.32Å; D113-H115 PolarHBondContact O-N 2.98Å
114K79.8Confident88.9Confident141 Ų14167.1 Ų67.161%0.61336%0.356SS*.  trans5413.7178.7-60.1177.5-175171.80115.5T109 W116T109-K114 WeakPolarHBondContact O-CA 3.34Å; T109-K114 PolarHBondContact O-N 3.31Å; K114-W116 PolarHBondContact O-N 2.9Å
115H86.4Confident89Confident126 Ų12670.2 Ų70.258%0.58338%0.377SS*.  trans-80.860.5178.9-66.1-52.2000112.8D113 S117 Y118 F119D113-H115 PolarHBondContact O-CD2 2.93Å; D113-H115 VanDerWaalsContact O-CD2 3.32Å; D113-H115 PolarHBondContact O-N 2.98Å; H115-S117 VanDerWaalsContact C-N 3.29Å; H115-S117 PolarHBondContact O-N 2.8Å; H115-Y118 PolarHBondContact O-N 2.91Å; H115-Y118 VanDerWaalsContact O-N 3.14Å; H115-F119 PolarHBondContact O-N 3.24Å; H115-F119 VanDerWaalsContact O-N 3.16Å
116W86Confident89Confident121 Ų12171.2 Ų71.246%0.45838%0.383SS..Hα-helixtrans-54.5-39.3-177.6-74.9101.2000114.4L106 T109 I110 K114 Y118 F119 C120L106-W116 HydrophobicContact CD2-CH2 4.42Å; L106-W116 HydrophobicContact CD2-CZ3 4.19Å; T109-W116 HydrophobicContact CG2-CD2 4.17Å; T109-W116 HydrophobicContact CG2-CE3 4.18Å; I110-W116 HydrophobicContact CB-CZ2 4.36Å; I110-W116 HydrophobicContact CD1-CH2 4.21Å; I110-W116 HydrophobicContact CG1-CH2 3.52Å; I110-W116 HydrophobicContact CG1-CZ2 3.45Å; I110-W116 VanDerWaalsContact CG1-CZ2 3.45Å; K114-W116 PolarHBondContact O-N 2.9Å; W116-Y118 PolarHBondContact O-N 3.13Å; W116-F119 HydrophobicContact CE3-CD1 4.41Å; W116-F119 PolarHBondContact O-N 3.37Å; W116-C120 WeakPolarHBondContact O-CB 3.32Å; W116-C120 PolarHBondContact O-N 2.85Å; W116-C120 PolarHBondContact O-SG 3.18Å
117S89.1Confident89Confident104 Ų10473.7 Ų73.773%0.72740%0.396SS*.Hα-helixtrans-62.7-42.9179.8-171.80000112H115 C120 A121H115-S117 VanDerWaalsContact C-N 3.29Å; H115-S117 PolarHBondContact O-N 2.8Å; S117-C120 PolarHBondContact O-N 3.22Å; S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 2.83Å
118Y86.9Confident89.3Confident168 Ų16875.9 Ų75.966%0.65941%0.411SS*.Hα-helixtrans-65.5-44.8177.5179.4-106.7000111.5H115 W116 A121 I122H115-Y118 PolarHBondContact O-N 2.91Å; H115-Y118 VanDerWaalsContact O-N 3.14Å; W116-Y118 PolarHBondContact O-N 3.13Å; Y118-A121 PolarHBondContact O-N 3.4Å; Y118-I122 HydrophobicContact CD1-CD1 3.78Å; Y118-I122 HydrophobicContact CD2-CD1 4.48Å; Y118-I122 HydrophobicContact CE1-CD1 3.23Å; Y118-I122 HydrophobicContact CE1-CG1 4.4Å; Y118-I122 HydrophobicContact CE2-CD1 4.03Å; Y118-I122 HydrophobicContact CG-CD1 4.38Å; Y118-I122 WeakPolarHBondContact O-CG1 3.45Å; Y118-I122 PolarHBondContact O-N 3.37Å
119F88.7Confident89.4Confident32 Ų3278.5 Ų78.514%0.1443%0.43CS..Hα-helixtrans-59.2-49.4175.4174.7-103.5000112L102 V105 L106 T109 H115 W116 A121 I122 V123L102-F119 HydrophobicContact CD1-CZ 4.28Å; V105-F119 HydrophobicContact CB-CE2 4.38Å; V105-F119 HydrophobicContact CG1-CD2 3.78Å; V105-F119 HydrophobicContact CG1-CE2 3.49Å; V105-F119 VanDerWaalsContact CG1-CE2 3.49Å; L106-F119 HydrophobicContact CD2-CE1 3.75Å; L106-F119 HydrophobicContact CD2-CZ 3.79Å; L106-F119 HydrophobicContact CG-CZ 4.31Å; T109-F119 HydrophobicContact CG2-CB 3.98Å; T109-F119 HydrophobicContact CG2-CG 4.22Å; H115-F119 PolarHBondContact O-N 3.24Å; H115-F119 VanDerWaalsContact O-N 3.16Å; W116-F119 HydrophobicContact CE3-CD1 4.41Å; W116-F119 PolarHBondContact O-N 3.37Å; F119-A121 VanDerWaalsContact C-N 3.3Å; F119-A121 PolarHBondContact O-N 2.73Å; F119-I122 PolarHBondContact O-N 3.38Å; F119-V123 HydrophobicContact CD1-CG2 4.38Å; F119-V123 HydrophobicContact CD2-CG2 4.23Å; F119-V123 HydrophobicContact CE1-CG2 3.94Å; F119-V123 HydrophobicContact CE2-CG2 3.76Å; F119-V123 HydrophobicContact CZ-CG2 3.62Å; F119-V123 WeakPolarHBondContact O-CG2 3.44Å; F119-V123 PolarHBondContact O-N 2.88Å
120C90.9Very high89.4Confident76 Ų7681.9 Ų81.951%0.51445%0.446SS..Hα-helixtrans-60.5-38.4177.9-71.40000112.4W116 S117 V123 G124W116-C120 WeakPolarHBondContact O-CB 3.32Å; W116-C120 PolarHBondContact O-N 2.85Å; W116-C120 PolarHBondContact O-SG 3.18Å; S117-C120 PolarHBondContact O-N 3.22Å; C120-V123 PolarHBondContact O-N 2.83Å; C120-G124 PolarHBondContact O-N 3.05Å
121A93.6Very high89.5Confident63 Ų6382.3 Ų82.352%0.52145%0.453SS..Hα-helixtrans-64.9-41.8176.600000112.4S117 Y118 F119 S125S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 2.83Å; Y118-A121 PolarHBondContact O-N 3.4Å; F119-A121 VanDerWaalsContact C-N 3.3Å; F119-A121 PolarHBondContact O-N 2.73Å; A121-S125 WeakPolarHBondContact O-CB 3.33Å; A121-S125 PolarHBondContact O-N 3Å; A121-S125 PolarHBondContact O-OG 3.27Å
122I93Very high89.6Confident69 Ų6982.2 Ų82.235%0.35446%0.455SS..Hα-helixtrans-64.9-47.9175.1-69.7171.3000110.9Y118 F119 G124 S125 V126Y118-I122 HydrophobicContact CD1-CD1 3.78Å; Y118-I122 HydrophobicContact CD2-CD1 4.48Å; Y118-I122 HydrophobicContact CE1-CD1 3.23Å; Y118-I122 HydrophobicContact CE1-CG1 4.4Å; Y118-I122 HydrophobicContact CE2-CD1 4.03Å; Y118-I122 HydrophobicContact CG-CD1 4.38Å; Y118-I122 WeakPolarHBondContact O-CG1 3.45Å; Y118-I122 PolarHBondContact O-N 3.37Å; F119-I122 PolarHBondContact O-N 3.38Å; I122-G124 VanDerWaalsContact C-N 3.3Å; I122-G124 PolarHBondContact O-N 3.47Å; I122-S125 PolarHBondContact O-N 3.41Å; I122-S125 PolarHBondContact O-OG 2.92Å; I122-V126 HydrophobicContact CG2-CG2 4.38Å; I122-V126 WeakPolarHBondContact O-CG2 3.14Å; I122-V126 PolarHBondContact O-N 2.76Å
123V93.3Very high89.8Confident54 Ų5483.1 Ų83.133%0.32746%0.46SS..Hα-helixtrans-61.5-43.6179.5174.10000110.3F119 C120 S125 V126 L127F119-V123 HydrophobicContact CD1-CG2 4.38Å; F119-V123 HydrophobicContact CD2-CG2 4.23Å; F119-V123 HydrophobicContact CE1-CG2 3.94Å; F119-V123 HydrophobicContact CE2-CG2 3.76Å; F119-V123 HydrophobicContact CZ-CG2 3.62Å; F119-V123 WeakPolarHBondContact O-CG2 3.44Å; F119-V123 PolarHBondContact O-N 2.88Å; C120-V123 PolarHBondContact O-N 2.83Å; V123-S125 PolarHBondContact O-N 3.41Å; V123-V126 PolarHBondContact O-N 3.49Å; V123-L127 HydrophobicContact CG1-CD1 3.94Å; V123-L127 HydrophobicContact CG1-CG 4.31Å; V123-L127 WeakPolarHBondContact O-CB 3.08Å; V123-L127 VanDerWaalsContact O-CG 3.28Å; V123-L127 WeakPolarHBondContact O-CG 3.45Å; V123-L127 PolarHBondContact O-N 3.36Å
124G92.7Very high90.1Very high33 Ų3385.2 Ų85.234%0.3447%0.471SS..Hα-helixtrans-59.5-43.2175.700000113.1C120 I122 L127 V128C120-G124 PolarHBondContact O-N 3.05Å; I122-G124 VanDerWaalsContact C-N 3.3Å; I122-G124 PolarHBondContact O-N 3.47Å; G124-L127 PolarHBondContact O-N 3.22Å; G124-V128 PolarHBondContact O-N 3.24Å
125S95Very high90.4Very high64 Ų6482.9 Ų82.945%0.44847%0.468SS..Hα-helixtrans-65.6-44178.272.50000111.8A121 I122 V123 L127 V128 T129A121-S125 WeakPolarHBondContact O-CB 3.33Å; A121-S125 PolarHBondContact O-N 3Å; A121-S125 PolarHBondContact O-OG 3.27Å; I122-S125 PolarHBondContact O-N 3.41Å; I122-S125 PolarHBondContact O-OG 2.92Å; V123-S125 PolarHBondContact O-N 3.41Å; S125-L127 PolarHBondContact O-N 2.87Å; S125-V128 PolarHBondContact O-N 2.96Å; S125-T129 PolarHBondContact O-N 3Å; S125-T129 PolarHBondContact O-OG1 3.41Å
126V92.9Very high90.2Very high73 Ų7382.6 Ų82.644%0.44247%0.47SS..Hα-helixtrans-61.6-45.1176.6173.40000111.2I122 V123 V128 T129 I130I122-V126 HydrophobicContact CG2-CG2 4.38Å; I122-V126 WeakPolarHBondContact O-CG2 3.14Å; I122-V126 PolarHBondContact O-N 2.76Å; V123-V126 PolarHBondContact O-N 3.49Å; V126-V128 PolarHBondContact O-N 3.04Å; V126-T129 PolarHBondContact O-N 2.94Å; V126-I130 HydrophobicContact CG1-CD1 3.9Å; V126-I130 VanDerWaalsContact O-CG1 3.3Å; V126-I130 WeakPolarHBondContact O-CG1 3.28Å; V126-I130 PolarHBondContact O-N 3.2Å
127L92.7Very high89.8Confident102 Ų10280.9 Ų80.953%0.53447%0.468SS..Hα-helixtrans-61.5-44.1177.9-72.4174.6000112V123 G124 S125 I130 V131V123-L127 HydrophobicContact CG1-CD1 3.94Å; V123-L127 HydrophobicContact CG1-CG 4.31Å; V123-L127 WeakPolarHBondContact O-CB 3.08Å; V123-L127 VanDerWaalsContact O-CG 3.28Å; V123-L127 WeakPolarHBondContact O-CG 3.45Å; V123-L127 PolarHBondContact O-N 3.36Å; G124-L127 PolarHBondContact O-N 3.22Å; S125-L127 PolarHBondContact O-N 2.87Å; L127-I130 PolarHBondContact O-N 3.5Å; L127-V131 WeakPolarHBondContact O-CG2 3.32Å; L127-V131 PolarHBondContact O-N 2.02Å
128V95.7Very high89.3Confident95 Ų9580.2 Ų80.258%0.57646%0.463SS*.Hα-helixtrans-61.4-44.3174.61630000111G124 S125 V126 I130 V131 V132G124-V128 PolarHBondContact O-N 3.24Å; S125-V128 PolarHBondContact O-N 2.96Å; V126-V128 PolarHBondContact O-N 3.04Å; V128-I130 VanDerWaalsContact C-N 3.3Å; V128-I130 PolarHBondContact O-N 3.38Å; V128-V131 PolarHBondContact O-N 3.29Å; V128-V132 HydrophobicContact CG1-CG2 4.43Å; V128-V132 WeakPolarHBondContact O-CG2 3.06Å; V128-V132 PolarHBondContact O-N 3.28Å
129T91.1Very high88.8Confident77 Ų7775 Ų7547%0.47245%0.451SS..Hα-helixtrans-58.8-41.7176.2-57.20000111.7S125 V126 V132 I133S125-T129 PolarHBondContact O-N 3Å; S125-T129 PolarHBondContact O-OG1 3.41Å; V126-T129 PolarHBondContact O-N 2.94Å; T129-V132 PolarHBondContact O-N 3.07Å; T129-I133 HydrophobicContact CG2-CD1 4.01Å; T129-I133 WeakPolarHBondContact O-CG1 3.14Å; T129-I133 PolarHBondContact O-N 3.11Å
130I90.3Very high87.8Confident81 Ų8178.8 Ų78.842%0.41548%0.479SS..Hα-helixtrans-61.7-46.6176-67.5162.3000110.8V126 L127 V128 V132 I133 L134V126-I130 HydrophobicContact CG1-CD1 3.9Å; V126-I130 VanDerWaalsContact O-CG1 3.3Å; V126-I130 WeakPolarHBondContact O-CG1 3.28Å; V126-I130 PolarHBondContact O-N 3.2Å; L127-I130 PolarHBondContact O-N 3.5Å; V128-I130 VanDerWaalsContact C-N 3.3Å; V128-I130 PolarHBondContact O-N 3.38Å; I130-V132 VanDerWaalsContact C-N 3.31Å; I130-V132 PolarHBondContact O-N 3.1Å; I130-I133 PolarHBondContact O-N 3.19Å; I130-L134 HydrophobicContact CG2-CD1 3.85Å; I130-L134 HydrophobicContact CG2-CG 4.28Å; I130-L134 WeakPolarHBondContact O-CB 3.22Å; I130-L134 WeakPolarHBondContact O-CG 3.49Å; I130-L134 PolarHBondContact O-N 3.42Å
131V91Very high86.4Confident89 Ų8979.3 Ų79.354%0.53948%0.482SS..Hα-helixtrans-60.7-41178.2172.50000111.4L127 V128 L134 T135L127-V131 WeakPolarHBondContact O-CG2 3.32Å; L127-V131 PolarHBondContact O-N 2.02Å; V128-V131 PolarHBondContact O-N 3.29Å; V131-L134 PolarHBondContact O-N 3.26Å; V131-T135 WeakPolarHBondContact O-CB 3.4Å; V131-T135 PolarHBondContact O-N 3.38Å; V131-T135 PolarHBondContact O-OG1 3.28Å
132V90.7Very high84.6Confident75 Ų7582 Ų8246%0.45549%0.492SS..Hα-helixtrans-61.4-48176170.40000110.8V128 T129 I130 L134 T135 I136V128-V132 HydrophobicContact CG1-CG2 4.43Å; V128-V132 WeakPolarHBondContact O-CG2 3.06Å; V128-V132 PolarHBondContact O-N 3.28Å; T129-V132 PolarHBondContact O-N 3.07Å; I130-V132 VanDerWaalsContact C-N 3.31Å; I130-V132 PolarHBondContact O-N 3.1Å; V132-L134 PolarHBondContact O-N 2.9Å; V132-T135 PolarHBondContact O-N 3.47Å; V132-I136 HydrophobicContact CG1-CD1 3.93Å; V132-I136 WeakPolarHBondContact O-CG1 3.44Å; V132-I136 PolarHBondContact O-N 2.97Å
133I86.3Confident82.6Confident48 Ų4884 Ų8425%0.24650%0.504CS..Hα-helixtrans-60.9-47.4178.7-67.2166.6000110.6L11 T129 I130 T135 I136 M137L11-I133 HydrophobicContact CD2-CG2 3.92Å; T129-I133 HydrophobicContact CG2-CD1 4.01Å; T129-I133 WeakPolarHBondContact O-CG1 3.14Å; T129-I133 PolarHBondContact O-N 3.11Å; I130-I133 PolarHBondContact O-N 3.19Å; I133-T135 VanDerWaalsContact C-N 3.28Å; I133-T135 PolarHBondContact O-N 3.36Å; I133-I136 PolarHBondContact O-N 3.16Å; I133-M137 HydrophobicContact CG2-CG 4.4Å; I133-M137 HydrophobicContact CG2-SD 4.28Å; I133-M137 WeakPolarHBondContact O-CG 3.48Å; I133-M137 PolarHBondContact O-N 3.14Å
134L86Confident80.8Confident99 Ų9989.5 Ų89.552%0.51852%0.523SS..Hα-helixtrans-60.2-38.3178-71.2173.5000112.2I130 V131 V132 M137 S138I130-L134 HydrophobicContact CG2-CD1 3.85Å; I130-L134 HydrophobicContact CG2-CG 4.28Å; I130-L134 WeakPolarHBondContact O-CB 3.22Å; I130-L134 WeakPolarHBondContact O-CG 3.49Å; I130-L134 PolarHBondContact O-N 3.42Å; V131-L134 PolarHBondContact O-N 3.26Å; V132-L134 PolarHBondContact O-N 2.9Å; L134-M137 PolarHBondContact O-N 3.47Å; L134-S138 WeakPolarHBondContact O-CB 3.41Å; L134-S138 PolarHBondContact O-N 3.29Å; L134-S138 PolarHBondContact O-OG 3.11Å
135T86.4Confident79.1Confident92 Ų9294.5 Ų94.556%0.56454%0.542SS*.Hα-helixtrans-66.3-44.6177.8-57.50000111.3V131 V132 I133 M137 S138 C139V131-T135 WeakPolarHBondContact O-CB 3.4Å; V131-T135 PolarHBondContact O-N 3.38Å; V131-T135 PolarHBondContact O-OG1 3.28Å; V132-T135 PolarHBondContact O-N 3.47Å; I133-T135 VanDerWaalsContact C-N 3.28Å; I133-T135 PolarHBondContact O-N 3.36Å; T135-M137 PolarHBondContact O-N 2.91Å; T135-S138 PolarHBondContact O-N 2.99Å; T135-C139 PolarHBondContact O-N 2.84Å
136I82Confident77.2Confident120 Ų12096.2 Ų96.262%0.61555%0.546SS*.Hα-helixtrans-61.8-45.1176.4-67.1166.8000110.4V132 I133 S138 C139V132-I136 HydrophobicContact CG1-CD1 3.93Å; V132-I136 WeakPolarHBondContact O-CG1 3.44Å; V132-I136 PolarHBondContact O-N 2.97Å; I133-I136 PolarHBondContact O-N 3.16Å; I136-S138 PolarHBondContact O-N 3.22Å; I136-C139 WeakPolarHBondContact O-CB 3.08Å; I136-C139 PolarHBondContact O-N 3.09Å
137M77.6Confident75.4Confident84 Ų84101.9 Ų101.941%0.41456%0.561SS.*Hα-helixtrans-64.2-27.8178.4-72-165.16700113.5H8 L11 I133 L134 T135H8-M137 HydrophobicContact CB-CE 3.93Å; H8-M137 WeakPolarHBondContact CD2-CE 3.13Å; L11-M137 HydrophobicContact CD2-CG 4.48Å; L11-M137 HydrophobicContact CD2-SD 3.71Å; I133-M137 HydrophobicContact CG2-CG 4.4Å; I133-M137 HydrophobicContact CG2-SD 4.28Å; I133-M137 WeakPolarHBondContact O-CG 3.48Å; I133-M137 PolarHBondContact O-N 3.14Å; L134-M137 PolarHBondContact O-N 3.47Å; T135-M137 PolarHBondContact O-N 2.91Å
138S78Confident73.6Confident91 Ų91102.6 Ų102.664%0.63657%0.57SS**THydrogen-bonded Turntrans-88.5-4179.2-53.60000113.5L134 T135 I136 P140L134-S138 WeakPolarHBondContact O-CB 3.41Å; L134-S138 PolarHBondContact O-N 3.29Å; L134-S138 PolarHBondContact O-OG 3.11Å; T135-S138 PolarHBondContact O-N 2.99Å; I136-S138 PolarHBondContact O-N 3.22Å; S138-P140 WeakPolarHBondContact O-CD 2.96Å
139C77.2Confident71.8Confident58 Ų58104.8 Ų104.839%0.39258%0.578SS.*  trans-60.9122.8178-157.20000109.2T135 I136 C141T135-C139 PolarHBondContact O-N 2.84Å; I136-C139 WeakPolarHBondContact O-CB 3.08Å; I136-C139 PolarHBondContact O-N 3.09Å; C139-C141 HydrophobicContact CB-CB 4.06Å; C139-C141 WeakPolarHBondContact CB-SG 3.3Å; C139-C141 PolarHBondContact O-N 3.44Å; C139-C141 WeakPolarHBondContact SG-CB 3.2Å; C139-C141 CovalentContact SG-SG 2.08Å; C139-C141 PolarHBondContact SG-SG 3.03Å
140P66.8Low70.1Confident112 Ų112109.2 Ų109.273%0.72759%0.591SS**G310 helixtrans-62.6-2.5176.4-21.232.6000114.6S138 T142 N143S138-P140 WeakPolarHBondContact O-CD 2.96Å; P140-T142 PolarHBondContact O-N 2.82Å; P140-T142 VanDerWaalsContact O-N 3.16Å; P140-N143 PolarHBondContact O-N 3.21Å
141C62.2Low68.3Low86 Ų86110.8 Ų110.858%0.58161%0.605SS**G310 helixtrans-70.6-11.2-164.4-42.50000113.4C139C139-C141 HydrophobicContact CB-CB 4.06Å; C139-C141 WeakPolarHBondContact CB-SG 3.3Å; C139-C141 PolarHBondContact O-N 3.44Å; C139-C141 WeakPolarHBondContact SG-CB 3.2Å; C139-C141 CovalentContact SG-SG 2.08Å; C139-C141 PolarHBondContact SG-SG 3.03Å
142T55.6Low66.4Low121 Ų121119.5 Ų119.574%0.74264%0.636SS**G310 helixtrans-90.3-8.2175.937.90000114.1P140 K144P140-T142 PolarHBondContact O-N 2.82Å; P140-T142 VanDerWaalsContact O-N 3.16Å; T142-K144 VanDerWaalsContact C-N 3.29Å; T142-K144 PolarHBondContact O-N 2.88Å; T142-K144 VanDerWaalsContact O-N 3.14Å
143N51.8Low65.2Low111 Ų111121.8 Ų121.859%0.59465%0.645SS**  trans-91.950.4-175.6-139.79.4000112.5P140 D145P140-N143 PolarHBondContact O-N 3.21Å; N143-D145 PolarHBondContact O-N 3.32Å
144K54.4Low64.1Low169 Ų169125.6 Ų125.674%0.73567%0.666SS**G310 helixtrans-72.8-5.8179.8-91.9-174.5177.2176.10114.4T142 D146T142-K144 VanDerWaalsContact C-N 3.29Å; T142-K144 PolarHBondContact O-N 2.88Å; T142-K144 VanDerWaalsContact O-N 3.14Å; K144-D146 VanDerWaalsContact C-N 3.28Å; K144-D146 PolarHBondContact O-N 2.95Å
145D57.6Low62.8Low137 Ų137127.1 Ų127.173%0.73367%0.674SS**G310 helixtrans-78.8-7.8-177.8-63.6-20.8000113.8N143N143-D145 PolarHBondContact O-N 3.32Å
146D55.7Low61.5Low100 Ų100129.2 Ų129.254%0.53568%0.68SS.*G310 helixtrans-92.4-6.1-177.6-134.46.4000113.9K144K144-D146 VanDerWaalsContact C-N 3.28Å; K144-D146 PolarHBondContact O-N 2.95Å
147Y54Low60.2Low192 Ų192129.8 Ų129.875%0.75368%0.684SS**SBendtrans-92.7-21.6-179.1-78.4-80.7000114.3
148T55.3Low59Low117 Ų117132.8 Ų132.872%0.71870%0.702SS**THydrogen-bonded Turntrans-83.7-10.7179.624.60000114.1
149N56.6Low57.7Low142 Ų142135.8 Ų135.876%0.75971%0.707SS**THydrogen-bonded Turntrans-103.98.3179.9-153.922.5000114.5
150K57Low56.2Low170 Ų170141.8 Ų141.874%0.73973%0.731SS**SBendtrans-112.29.5174.2-74.5-173.2-179.1172.40114.2
151T51.2Low55.3Low114 Ų114144.3 Ų144.370%0.69973%0.732SS**  trans-120.564.3173.656.80000110.9
152F51.8Low54.6Low272 Ų272149.5 Ų149.5100%1.19375%0.745SS**  trans-1570148.1-139.7-86.9000108.6

Retrieved 152 of 152 residues in 52.7 ms (Link to these results)

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