A0A087X642_POEFO Loading...

Hyaluronan synthase 3

AlphaFold DB , UniProt , Accession A0A087X642, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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
1M53.8Low79.6Confident183 Ų183104.3 Ų104.390%0.90154%0.541SS*.  0134.10-81.7-179158.200109.5
2P61.1Low80.8Confident89 Ų89103.3 Ų103.358%0.57854%0.542SS*.  trans-55.2141.7172.8-19.229.7000110.6R4 C5 R6P2-R4 PolarHBondContact O-N 3.19Å; P2-R4 VanDerWaalsContact O-N 3.09Å; P2-C5 WeakPolarHBondContact O-CB 3.36Å; P2-C5 PolarHBondContact O-N 2.99Å; P2-R6 PolarHBondContact O-N 2.92Å
3S72.4Confident81.9Confident90 Ų90100.7 Ų100.763%0.62953%0.533SS*.Hα-helixtrans-53.3-33.3-17758.50000113.3N7S3-N7 WeakPolarHBondContact O-CB 3.29Å; S3-N7 VanDerWaalsContact O-CG 3.27Å; S3-N7 PolarHBondContact O-N 3.43Å; S3-N7 VanDerWaalsContact O-N 3.08Å; S3-N7 PolarHBondContact O-ND2 2.46Å
4R75.3Confident82.8Confident212 Ų21294.4 Ų94.480%0.850%0.5SS*.Hα-helixtrans-66.3-43.3174.9-67.5-174.7178.8-1760.1113P2 N7 A8P2-R4 PolarHBondContact O-N 3.19Å; P2-R4 VanDerWaalsContact O-N 3.09Å; R4-N7 PolarHBondContact O-N 3.49Å; R4-A8 WeakPolarHBondContact O-CB 3.46Å; R4-A8 PolarHBondContact O-N 3.19Å
5C75.4Confident83.6Confident68 Ų6893.7 Ų93.746%0.45950%0.502SS..Hα-helixtrans-65.9-40.3178.3-61.30000111.5P2 A8 L9P2-C5 WeakPolarHBondContact O-CB 3.36Å; P2-C5 PolarHBondContact O-N 2.99Å; C5-A8 PolarHBondContact O-N 2.86Å; C5-L9 WeakPolarHBondContact O-CB 3.48Å; C5-L9 PolarHBondContact O-N 2.84Å
6R84.3Confident84.4Confident160 Ų16094.8 Ų94.860%0.60451%0.507SS*.Hα-helixtrans-64.3-41.3175.7-171.2175.2113.8172.83.9111.9P2 L9 N10P2-R6 PolarHBondContact O-N 2.92Å; R6-L9 PolarHBondContact O-N 3.5Å; R6-N10 WeakPolarHBondContact O-CB 3.27Å; R6-N10 VanDerWaalsContact O-CG 3.29Å; R6-N10 PolarHBondContact O-N 2.63Å; R6-N10 PolarHBondContact O-OD1 3.5Å
7N85.4Confident85.1Confident78 Ų7892.9 Ų92.942%0.41749%0.493SS..Hα-helixtrans-65.5-45176.7-74-10.9000112S3 R4 L9 N10 I11S3-N7 WeakPolarHBondContact O-CB 3.29Å; S3-N7 VanDerWaalsContact O-CG 3.27Å; S3-N7 PolarHBondContact O-N 3.43Å; S3-N7 VanDerWaalsContact O-N 3.08Å; S3-N7 PolarHBondContact O-ND2 2.46Å; R4-N7 PolarHBondContact O-N 3.49Å; N7-L9 VanDerWaalsContact C-N 3.34Å; N7-L9 PolarHBondContact O-N 3.34Å; N7-N10 PolarHBondContact O-N 2.9Å; N7-I11 VanDerWaalsContact O-CG1 3.29Å; N7-I11 WeakPolarHBondContact O-CG1 3.26Å; N7-I11 PolarHBondContact O-N 2.85Å
8A89.8Confident85.7Confident53 Ų5388.8 Ų88.844%0.43847%0.474SS..Hα-helixtrans-59.7-44.7175.800000111.6R4 C5 N10 I11 V12R4-A8 WeakPolarHBondContact O-CB 3.46Å; R4-A8 PolarHBondContact O-N 3.19Å; C5-A8 PolarHBondContact O-N 2.86Å; A8-N10 PolarHBondContact O-N 3.18Å; A8-I11 WeakPolarHBondContact O-CB 3.33Å; A8-I11 PolarHBondContact O-N 2.99Å; A8-V12 WeakPolarHBondContact O-CG2 3.42Å; A8-V12 PolarHBondContact O-N 3.22Å
9L92.2Very high86.2Confident86 Ų8686.9 Ų86.945%0.4547%0.472SS..Hα-helixtrans-59.1-47.3175.3-178.863.6000111.7C5 R6 N7 I11 V12 V13C5-L9 WeakPolarHBondContact O-CB 3.48Å; C5-L9 PolarHBondContact O-N 2.84Å; R6-L9 PolarHBondContact O-N 3.5Å; N7-L9 VanDerWaalsContact C-N 3.34Å; N7-L9 PolarHBondContact O-N 3.34Å; L9-I11 VanDerWaalsContact C-N 3.29Å; L9-I11 PolarHBondContact O-N 3.45Å; L9-V12 PolarHBondContact O-N 2.85Å; L9-V13 HydrophobicContact CD1-CG2 4.15Å; L9-V13 HydrophobicContact CG-CG2 4.32Å; L9-V13 WeakPolarHBondContact O-CB 3.41Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 3.35Å
10N91.7Very high86.7Confident56 Ų5686.4 Ų86.430%0.29947%0.472SS..Hα-helixtrans-61.5-37.4177.9-73.91000112.2R6 N7 A8 T14 H376R6-N10 WeakPolarHBondContact O-CB 3.27Å; R6-N10 VanDerWaalsContact O-CG 3.29Å; R6-N10 PolarHBondContact O-N 2.63Å; R6-N10 PolarHBondContact O-OD1 3.5Å; N7-N10 PolarHBondContact O-N 2.9Å; A8-N10 PolarHBondContact O-N 3.18Å; N10-T14 WeakPolarHBondContact O-CB 3.26Å; N10-T14 WeakPolarHBondContact O-CG2 3.41Å; N10-T14 PolarHBondContact O-N 3.06Å; N10-T14 PolarHBondContact O-OG1 2.76Å; N10-H376 HydrophobicContact CB-CB 4.12Å
11I93.8Very high87Confident72 Ų7283 Ų8337%0.36945%0.454SS..Hα-helixtrans-61.6-49.6174.6-68.9163.7000110.1N7 A8 L9 T14 T15 H376N7-I11 VanDerWaalsContact O-CG1 3.29Å; N7-I11 WeakPolarHBondContact O-CG1 3.26Å; N7-I11 PolarHBondContact O-N 2.85Å; A8-I11 WeakPolarHBondContact O-CB 3.33Å; A8-I11 PolarHBondContact O-N 2.99Å; L9-I11 VanDerWaalsContact C-N 3.29Å; L9-I11 PolarHBondContact O-N 3.45Å; I11-T14 PolarHBondContact O-N 3.27Å; I11-T14 PolarHBondContact O-OG1 3.42Å; I11-T15 VanDerWaalsContact O-CB 3.24Å; I11-T15 WeakPolarHBondContact O-CB 3.44Å; I11-T15 PolarHBondContact O-N 3.23Å; I11-T15 PolarHBondContact O-OG1 3.39Å; I11-H376 HydrophobicContact CB-CB 4.35Å; I11-H376 HydrophobicContact CG1-CB 3.69Å
12V94.5Very high89Confident92 Ų9276.6 Ų76.656%0.55842%0.423SS*.Hα-helixtrans-60.3-49.5178.8174.50000111.1A8 L9 T14 T15 L16A8-V12 WeakPolarHBondContact O-CG2 3.42Å; A8-V12 PolarHBondContact O-N 3.22Å; L9-V12 PolarHBondContact O-N 2.85Å; V12-T14 PolarHBondContact O-N 2.83Å; V12-T15 PolarHBondContact O-N 2.9Å; V12-L16 VanDerWaalsContact O-CB 3.3Å; V12-L16 WeakPolarHBondContact O-CB 3.19Å; V12-L16 PolarHBondContact O-N 3.49Å
13V94.9Very high90.5Very high70 Ų7078.6 Ų78.642%0.42442%0.423SS..Hα-helixtrans-60.1-48.2-179.6170.50000111.4L9 L16 F17L9-V13 HydrophobicContact CD1-CG2 4.15Å; L9-V13 HydrophobicContact CG-CG2 4.32Å; L9-V13 WeakPolarHBondContact O-CB 3.41Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 3.35Å; V13-L16 PolarHBondContact O-N 3.2Å; V13-F17 VanDerWaalsContact O-CB 3.25Å; V13-F17 WeakPolarHBondContact O-CB 3.41Å; V13-F17 PolarHBondContact O-N 2.73Å
14T94.4Very high91.4Very high12 Ų1277.5 Ų77.57%0.07441%0.412CS..Hα-helixtrans-69.7-34.1-178.951.60000112.8N10 I11 V12 A18 H376 L380N10-T14 WeakPolarHBondContact O-CB 3.26Å; N10-T14 WeakPolarHBondContact O-CG2 3.41Å; N10-T14 PolarHBondContact O-N 3.06Å; N10-T14 PolarHBondContact O-OG1 2.76Å; I11-T14 PolarHBondContact O-N 3.27Å; I11-T14 PolarHBondContact O-OG1 3.42Å; V12-T14 PolarHBondContact O-N 2.83Å; T14-A18 WeakPolarHBondContact O-CB 3.33Å; T14-A18 PolarHBondContact O-N 2.99Å; T14-H376 HydrophobicContact CG2-CB 4.43Å; T14-H376 WeakPolarHBondContact OG1-CA 3.37Å; T14-H376 WeakPolarHBondContact OG1-CB 3.32Å; T14-L380 HydrophobicContact CG2-CD2 3.94Å
15T94.6Very high92Very high85 Ų8567.7 Ų67.752%0.52138%0.376SS..Hα-helixtrans-68.4-46.2175.7-56.30000110.9I11 V12 F17 A18 A19I11-T15 VanDerWaalsContact O-CB 3.24Å; I11-T15 WeakPolarHBondContact O-CB 3.44Å; I11-T15 PolarHBondContact O-N 3.23Å; I11-T15 PolarHBondContact O-OG1 3.39Å; V12-T15 PolarHBondContact O-N 2.9Å; T15-F17 VanDerWaalsContact C-N 3.33Å; T15-F17 PolarHBondContact O-N 3.23Å; T15-A18 PolarHBondContact O-N 3.08Å; T15-A19 PolarHBondContact O-N 3.42Å
16L96.2Very high92.8Very high111 Ų11167.8 Ų67.858%0.58137%0.371SS*.Hα-helixtrans-61.3-44.2175.5-177.565.7000110.8V12 V13 A18 A19 V20V12-L16 VanDerWaalsContact O-CB 3.3Å; V12-L16 WeakPolarHBondContact O-CB 3.19Å; V12-L16 PolarHBondContact O-N 3.49Å; V13-L16 PolarHBondContact O-N 3.2Å; L16-A18 PolarHBondContact O-N 2.98Å; L16-A19 PolarHBondContact O-N 2.7Å; L16-V20 HydrophobicContact CD1-CG2 4.42Å; L16-V20 HydrophobicContact CG-CG2 4.42Å; L16-V20 WeakPolarHBondContact O-CB 3.36Å; L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.25Å; L16-V20 PolarHBondContact O-N 2.77Å
17F97Very high93Very high63 Ų6364 Ų6428%0.27636%0.363SS..Hα-helixtrans-59-45.9175.4177.6-104.6000111.9V13 T15 A19 V20 V21 L380 T383V13-F17 VanDerWaalsContact O-CB 3.25Å; V13-F17 WeakPolarHBondContact O-CB 3.41Å; V13-F17 PolarHBondContact O-N 2.73Å; T15-F17 VanDerWaalsContact C-N 3.33Å; T15-F17 PolarHBondContact O-N 3.23Å; F17-A19 VanDerWaalsContact C-N 3.33Å; F17-A19 PolarHBondContact O-N 3.42Å; F17-V20 PolarHBondContact O-N 2.77Å; F17-V21 HydrophobicContact CD1-CG2 4.39Å; F17-V21 HydrophobicContact CD2-CG2 4.31Å; F17-V21 HydrophobicContact CE1-CG2 4Å; F17-V21 HydrophobicContact CE2-CG2 3.91Å; F17-V21 HydrophobicContact CZ-CG2 3.74Å; F17-V21 VanDerWaalsContact O-CG2 3.31Å; F17-V21 WeakPolarHBondContact O-CG2 3.34Å; F17-V21 PolarHBondContact O-N 3.27Å; F17-L380 HydrophobicContact CB-CD2 4.42Å; F17-L380 HydrophobicContact CD1-CB 4.4Å; F17-L380 HydrophobicContact CD1-CD2 3.89Å; F17-L380 HydrophobicContact CE1-CB 4Å; F17-L380 HydrophobicContact CE1-CD2 4.35Å; F17-L380 WeakPolarHBondContact CE1-O 3.48Å; F17-L380 HydrophobicContact CG-CD2 4.11Å; F17-L380 HydrophobicContact CZ-CB 4.3Å; F17-T383 HydrophobicContact CD1-CG2 3.95Å; F17-T383 HydrophobicContact CE1-CG2 4.46Å
18A95.3Very high93Very high19 Ų1960.6 Ų60.616%0.15735%0.345CS..Hα-helixtrans-59.2-44.3175.800000111.9T14 T15 L16 V21 L22 T383 V387T14-A18 WeakPolarHBondContact O-CB 3.33Å; T14-A18 PolarHBondContact O-N 2.99Å; T15-A18 PolarHBondContact O-N 3.08Å; L16-A18 PolarHBondContact O-N 2.98Å; A18-V21 PolarHBondContact O-N 3.09Å; A18-L22 WeakPolarHBondContact O-CB 3.41Å; A18-L22 PolarHBondContact O-N 3.14Å; A18-T383 HydrophobicContact CB-CG2 3.62Å; A18-V387 HydrophobicContact CB-CG2 4.03Å
19A95.6Very high92.8Very high53 Ų5361 Ų6144%0.43834%0.336SS..Hα-helixtrans-64.2-43.6177.900000112T15 L16 F17 L22 F23T15-A19 PolarHBondContact O-N 3.42Å; L16-A19 PolarHBondContact O-N 2.7Å; F17-A19 VanDerWaalsContact C-N 3.33Å; F17-A19 PolarHBondContact O-N 3.42Å; A19-L22 PolarHBondContact O-N 3.35Å; A19-F23 WeakPolarHBondContact O-CB 3.37Å; A19-F23 PolarHBondContact O-N 2.94Å
20V96Very high92.5Very high75 Ų7562.8 Ų62.846%0.45534%0.344SS..Hα-helixtrans-63.5-44.8177.1169.40000111.2L16 F17 F23 T24L16-V20 HydrophobicContact CD1-CG2 4.42Å; L16-V20 HydrophobicContact CG-CG2 4.42Å; L16-V20 WeakPolarHBondContact O-CB 3.36Å; L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.25Å; L16-V20 PolarHBondContact O-N 2.77Å; F17-V20 PolarHBondContact O-N 2.77Å; V20-F23 PolarHBondContact O-N 3.43Å; V20-T24 VanDerWaalsContact O-CB 3.31Å; V20-T24 WeakPolarHBondContact O-CB 3.33Å; V20-T24 PolarHBondContact O-N 2.9Å; V20-T24 PolarHBondContact O-OG1 3.09Å
21V94.1Very high92.1Very high16 Ų1663.9 Ų63.910%0.09735%0.353CS..Hα-helixtrans-60.9-49.8176.71710000110.2F17 A18 F23 T24 I25 Y384 V387F17-V21 HydrophobicContact CD1-CG2 4.39Å; F17-V21 HydrophobicContact CD2-CG2 4.31Å; F17-V21 HydrophobicContact CE1-CG2 4Å; F17-V21 HydrophobicContact CE2-CG2 3.91Å; F17-V21 HydrophobicContact CZ-CG2 3.74Å; F17-V21 VanDerWaalsContact O-CG2 3.31Å; F17-V21 WeakPolarHBondContact O-CG2 3.34Å; F17-V21 PolarHBondContact O-N 3.27Å; A18-V21 PolarHBondContact O-N 3.09Å; V21-F23 PolarHBondContact O-N 3.23Å; V21-T24 PolarHBondContact O-N 2.78Å; V21-I25 HydrophobicContact CG1-CD1 3.78Å; V21-I25 VanDerWaalsContact O-CG1 3.25Å; V21-I25 WeakPolarHBondContact O-CG1 3.31Å; V21-I25 PolarHBondContact O-N 2.69Å; V21-Y384 HydrophobicContact CG1-CD2 3.94Å; V21-Y384 HydrophobicContact CG1-CE2 4.41Å; V21-Y384 HydrophobicContact CG2-CD2 4.31Å; V21-V387 HydrophobicContact CB-CG1 4.49Å; V21-V387 HydrophobicContact CG1-CB 4.31Å; V21-V387 HydrophobicContact CG1-CG1 3.9Å
22L94.1Very high91.2Very high49 Ų4962.2 Ų62.226%0.25735%0.354SS..Hα-helixtrans-61.9-45.6179.3-18058.9000111.8A18 A19 T24 I25 L26 V387 F391A18-L22 WeakPolarHBondContact O-CB 3.41Å; A18-L22 PolarHBondContact O-N 3.14Å; A19-L22 PolarHBondContact O-N 3.35Å; L22-T24 VanDerWaalsContact C-N 3.34Å; L22-T24 PolarHBondContact O-N 3.35Å; L22-I25 PolarHBondContact O-N 2.93Å; L22-L26 VanDerWaalsContact O-CB 3.26Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 PolarHBondContact O-N 2.81Å; L22-V387 HydrophobicContact CB-CG1 3.92Å; L22-V387 HydrophobicContact CD1-CG1 4.31Å; L22-F391 HydrophobicContact CD1-CB 4.27Å; L22-F391 HydrophobicContact CD1-CD1 4.03Å; L22-F391 HydrophobicContact CD1-CD2 3.68Å; L22-F391 HydrophobicContact CD1-CE1 4.28Å; L22-F391 HydrophobicContact CD1-CE2 3.96Å; L22-F391 HydrophobicContact CD1-CG 3.72Å; L22-F391 HydrophobicContact CD1-CZ 4.24Å; L22-F391 HydrophobicContact CD2-CD2 4.45Å; L22-F391 HydrophobicContact CD2-CE1 4.29Å; L22-F391 HydrophobicContact CD2-CE2 3.87Å; L22-F391 HydrophobicContact CD2-CZ 3.77Å
23F93.4Very high90.2Very high130 Ų13064.5 Ų64.557%0.5735%0.354SS*.Hα-helixtrans-61.2-42.6177.6179.1-100.3000111.4A19 V20 V21 L26 L27A19-F23 WeakPolarHBondContact O-CB 3.37Å; A19-F23 PolarHBondContact O-N 2.94Å; V20-F23 PolarHBondContact O-N 3.43Å; V21-F23 PolarHBondContact O-N 3.23Å; F23-L26 PolarHBondContact O-N 3.43Å; F23-L27 HydrophobicContact CE1-CD2 4.07Å; F23-L27 HydrophobicContact CZ-CD2 4.44Å; F23-L27 WeakPolarHBondContact O-CB 3.39Å; F23-L27 PolarHBondContact O-N 3.27Å
24T90.3Very high89.4Confident68 Ų6864.1 Ų64.142%0.41735%0.347SS..Hα-helixtrans-63.6-44.4178-56.50000111.2V20 V21 L22 L27 A28V20-T24 VanDerWaalsContact O-CB 3.31Å; V20-T24 WeakPolarHBondContact O-CB 3.33Å; V20-T24 PolarHBondContact O-N 2.9Å; V20-T24 PolarHBondContact O-OG1 3.09Å; V21-T24 PolarHBondContact O-N 2.78Å; L22-T24 VanDerWaalsContact C-N 3.34Å; L22-T24 PolarHBondContact O-N 3.35Å; T24-L27 PolarHBondContact O-N 2.99Å; T24-A28 VanDerWaalsContact O-CB 3.24Å; T24-A28 WeakPolarHBondContact O-CB 3.42Å; T24-A28 PolarHBondContact O-N 3.33Å
25I89.8Confident88.2Confident6 Ų668.5 Ų68.53%0.03137%0.365CS..Hα-helixtrans-63.2-45.4176.6-64.6164.9000110.2V21 L22 A28 Y29 Y48 F51 V387 V388 F395V21-I25 HydrophobicContact CG1-CD1 3.78Å; V21-I25 VanDerWaalsContact O-CG1 3.25Å; V21-I25 WeakPolarHBondContact O-CG1 3.31Å; V21-I25 PolarHBondContact O-N 2.69Å; L22-I25 PolarHBondContact O-N 2.93Å; I25-A28 PolarHBondContact O-N 2.71Å; I25-Y29 VanDerWaalsContact O-CB 3.31Å; I25-Y29 WeakPolarHBondContact O-CB 3.46Å; I25-Y29 PolarHBondContact O-N 3.19Å; I25-Y48 HydrophobicContact CG2-CD2 4.36Å; I25-Y48 HydrophobicContact CG2-CE2 4.02Å; I25-F51 HydrophobicContact CD1-CE1 3.68Å; I25-F51 HydrophobicContact CD1-CE2 4.32Å; I25-F51 HydrophobicContact CD1-CZ 3.5Å; I25-F51 VanDerWaalsContact CD1-CZ 3.5Å; I25-F51 HydrophobicContact CG1-CD1 4.16Å; I25-F51 HydrophobicContact CG1-CD2 4.43Å; I25-F51 HydrophobicContact CG1-CE1 3.65Å; I25-F51 HydrophobicContact CG1-CE2 3.93Å; I25-F51 HydrophobicContact CG1-CZ 3.51Å; I25-V387 HydrophobicContact CD1-CG1 4.44Å; I25-V388 HydrophobicContact CD1-CG2 3.95Å; I25-F395 HydrophobicContact CG2-CD2 4.19Å; I25-F395 HydrophobicContact CG2-CE2 3.57Å; I25-F395 HydrophobicContact CG2-CZ 3.88Å
26L90.8Very high87.1Confident69 Ų6969.5 Ų69.536%0.36137%0.366SS..Hα-helixtrans-64.3-44.3179.7-177.265000111.5L22 F23 Y29 I30 F395L22-L26 VanDerWaalsContact O-CB 3.26Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 PolarHBondContact O-N 2.81Å; F23-L26 PolarHBondContact O-N 3.43Å; L26-Y29 WeakPolarHBondContact O-CB 3.44Å; L26-Y29 PolarHBondContact O-N 3.13Å; L26-I30 HydrophobicContact CD1-CD1 3.72Å; L26-I30 HydrophobicContact CD1-CG1 4.12Å; L26-I30 HydrophobicContact CD2-CD1 4.32Å; L26-I30 HydrophobicContact CG-CD1 3.68Å; L26-I30 HydrophobicContact CG-CG1 4.36Å; L26-I30 WeakPolarHBondContact O-CB 3.44Å; L26-I30 VanDerWaalsContact O-CG1 3.3Å; L26-I30 WeakPolarHBondContact O-CG1 3.26Å; L26-I30 PolarHBondContact O-N 3.13Å; L26-F395 HydrophobicContact CD1-CE1 3.86Å; L26-F395 HydrophobicContact CD1-CZ 4.21Å
27L88.6Confident86Confident82 Ų8269 Ų6943%0.42936%0.361SS..Hα-helixtrans-63.2-45.8176.9-17668.3000110.4F23 T24 Y29 I30 T31F23-L27 HydrophobicContact CE1-CD2 4.07Å; F23-L27 HydrophobicContact CZ-CD2 4.44Å; F23-L27 WeakPolarHBondContact O-CB 3.39Å; F23-L27 PolarHBondContact O-N 3.27Å; T24-L27 PolarHBondContact O-N 2.99Å; L27-Y29 PolarHBondContact O-N 2.98Å; L27-I30 PolarHBondContact O-N 3.27Å; L27-T31 HydrophobicContact CD1-CG2 3.63Å; L27-T31 HydrophobicContact CG-CG2 4Å; L27-T31 VanDerWaalsContact O-CB 3.29Å; L27-T31 WeakPolarHBondContact O-CB 3.43Å; L27-T31 VanDerWaalsContact O-CG2 3.25Å; L27-T31 WeakPolarHBondContact O-CG2 3.35Å; L27-T31 PolarHBondContact O-N 3.47Å; L27-T31 PolarHBondContact O-OG1 3.37Å
28A85.8Confident84.9Confident5 Ų568.9 Ų68.94%0.04137%0.366CS..Hα-helixtrans-60.4-35.1175.200000112.6T24 I25 L47T24-A28 VanDerWaalsContact O-CB 3.24Å; T24-A28 WeakPolarHBondContact O-CB 3.42Å; T24-A28 PolarHBondContact O-N 3.33Å; I25-A28 PolarHBondContact O-N 2.71Å; A28-L47 HydrophobicContact CB-CB 4.11Å; A28-L47 HydrophobicContact CB-CD2 3.62Å; A28-L47 HydrophobicContact CB-CG 3.62Å
29Y85.8Confident83.1Confident62 Ų6277.5 Ų77.524%0.24340%0.403CS..Hα-helixtrans-72-48176.7-175.4-101.6000112.5I25 L26 L27 Y48 F395 T399I25-Y29 VanDerWaalsContact O-CB 3.31Å; I25-Y29 WeakPolarHBondContact O-CB 3.46Å; I25-Y29 PolarHBondContact O-N 3.19Å; L26-Y29 WeakPolarHBondContact O-CB 3.44Å; L26-Y29 PolarHBondContact O-N 3.13Å; L27-Y29 PolarHBondContact O-N 2.98Å; Y29-Y48 HydrophobicContact CD2-CD1 4.49Å; Y29-Y48 HydrophobicContact CD2-CD2 4.3Å; Y29-Y48 HydrophobicContact CD2-CE2 4.41Å; Y29-Y48 HydrophobicContact CD2-CG 4.35Å; Y29-F395 AromaticContact CD1-CD1 3.74Å; Y29-F395 HydrophobicContact CD1-CD1 3.74Å; Y29-F395 AromaticContact CD1-CE1 3.99Å; Y29-F395 HydrophobicContact CD1-CE1 3.99Å; Y29-F395 AromaticContact CD2-CD1 3.94Å; Y29-F395 HydrophobicContact CD2-CD1 3.94Å; Y29-F395 HydrophobicContact CE1-CD1 4.08Å; Y29-F395 HydrophobicContact CE2-CB 4.4Å; Y29-F395 HydrophobicContact CE2-CD1 4.28Å; Y29-F395 AromaticContact CG-CD1 3.66Å; Y29-F395 HydrophobicContact CG-CD1 3.66Å; Y29-F395 AromaticContact CG-CE1 3.99Å; Y29-F395 HydrophobicContact CG-CE1 3.99Å; Y29-F395 PolarHBondContact OH-O 3.38Å; Y29-T399 VanDerWaalsContact CE2-OG1 3.23Å; Y29-T399 WeakPolarHBondContact CE2-OG1 3.47Å; Y29-T399 PolarHBondContact OH-N 3.27Å; Y29-T399 PolarHBondContact OH-OG1 2.87Å
30I86Confident81.5Confident123 Ų12380.8 Ų80.863%0.63141%0.409SS*.Hα-helixtrans-72.8-45.2-176.2-67.6172.9000111.8L26 L27 G32L26-I30 HydrophobicContact CD1-CD1 3.72Å; L26-I30 HydrophobicContact CD1-CG1 4.12Å; L26-I30 HydrophobicContact CD2-CD1 4.32Å; L26-I30 HydrophobicContact CG-CD1 3.68Å; L26-I30 HydrophobicContact CG-CG1 4.36Å; L26-I30 WeakPolarHBondContact O-CB 3.44Å; L26-I30 VanDerWaalsContact O-CG1 3.3Å; L26-I30 WeakPolarHBondContact O-CG1 3.26Å; L26-I30 PolarHBondContact O-N 3.13Å; L27-I30 PolarHBondContact O-N 3.27Å; I30-G32 PolarHBondContact O-N 2.97Å
31T82.5Confident79.8Confident79 Ų7981.9 Ų81.949%0.48541%0.409SS..Hα-helixtrans-65.4-25.7-18056.30000111.9L27 Y33L27-T31 HydrophobicContact CD1-CG2 3.63Å; L27-T31 HydrophobicContact CG-CG2 4Å; L27-T31 VanDerWaalsContact O-CB 3.29Å; L27-T31 WeakPolarHBondContact O-CB 3.43Å; L27-T31 VanDerWaalsContact O-CG2 3.25Å; L27-T31 WeakPolarHBondContact O-CG2 3.35Å; L27-T31 PolarHBondContact O-N 3.47Å; L27-T31 PolarHBondContact O-OG1 3.37Å; T31-Y33 PolarHBondContact O-N 3.32Å; T31-Y33 VanDerWaalsContact O-N 3.08Å
32G74.9Confident78.2Confident38 Ų3882.3 Ų82.339%0.39241%0.41SS..  trans59.521.4179.200000113.4I30 Q34I30-G32 PolarHBondContact O-N 2.97Å; G32-Q34 WeakPolarHBondContact O-CG 3.38Å; G32-Q34 PolarHBondContact O-N 3.04Å
33Y74.6Confident76.7Confident140 Ų14084.2 Ų84.255%0.54942%0.42SS..  trans-55.2126.5-171.6-174.2-94.7000111.6T31 F35 G46 L47T31-Y33 PolarHBondContact O-N 3.32Å; T31-Y33 VanDerWaalsContact O-N 3.08Å; Y33-F35 HydrophobicContact CD1-CD1 4.04Å; Y33-F35 AromaticContact CD1-CE1 3.88Å; Y33-F35 HydrophobicContact CD1-CE1 3.88Å; Y33-F35 HydrophobicContact CD1-CG 4.45Å; Y33-F35 HydrophobicContact CD1-CZ 4.23Å; Y33-F35 AromaticContact CE1-CD1 3.52Å; Y33-F35 HydrophobicContact CE1-CD1 3.52Å; Y33-F35 AromaticContact CE1-CE1 3.54Å; Y33-F35 HydrophobicContact CE1-CE1 3.54Å; Y33-F35 HydrophobicContact CE1-CG 4.25Å; Y33-F35 HydrophobicContact CE1-CZ 4.33Å; Y33-G46 CarbonylContact O-C 3.4Å; Y33-G46 WeakPolarHBondContact O-CA 3.28Å; Y33-L47 PolarHBondContact O-N 3.04Å
34Q76.6Confident75.4Confident61 Ų6180.5 Ų80.529%0.28541%0.41SS..EExtended strand (participates in β ladder)trans-109.7117.9-174.5-54.1-173.3-1100110.4G32 H37 H41 S44G32-Q34 WeakPolarHBondContact O-CG 3.38Å; G32-Q34 PolarHBondContact O-N 3.04Å; Q34-H37 HydrophobicContact CB-CB 4.43Å; Q34-H41 PolarHBondContact OE1-CE1 3.2Å; Q34-H41 PolarHBondContact OE1-ND1 3.46Å; Q34-S44 PolarHBondContact NE2-OG 3.33Å; Q34-S44 VanDerWaalsContact OE1-CB 3.26Å
35F69.8Low74.6Confident104 Ų10481.1 Ų81.146%0.45641%0.407SS..EExtended strand (participates in β ladder)trans-80-41.2177.3-63.1-72.5000112.3Y33 F45 L47 A50Y33-F35 HydrophobicContact CD1-CD1 4.04Å; Y33-F35 AromaticContact CD1-CE1 3.88Å; Y33-F35 HydrophobicContact CD1-CE1 3.88Å; Y33-F35 HydrophobicContact CD1-CG 4.45Å; Y33-F35 HydrophobicContact CD1-CZ 4.23Å; Y33-F35 AromaticContact CE1-CD1 3.52Å; Y33-F35 HydrophobicContact CE1-CD1 3.52Å; Y33-F35 AromaticContact CE1-CE1 3.54Å; Y33-F35 HydrophobicContact CE1-CE1 3.54Å; Y33-F35 HydrophobicContact CE1-CG 4.25Å; Y33-F35 HydrophobicContact CE1-CZ 4.33Å; F35-F45 PolarHBondContact N-O 3.31Å; F35-L47 HydrophobicContact CE2-CB 4.02Å; F35-L47 HydrophobicContact CE2-CD1 3.85Å; F35-L47 HydrophobicContact CZ-CB 4.3Å; F35-L47 HydrophobicContact CZ-CD1 3.57Å; F35-A50 HydrophobicContact CE2-CB 3.99Å
36I71.8Confident74Confident106 Ų10681.6 Ų81.654%0.54441%0.414SS..EExtended strand (participates in β ladder)trans-121.6116.8-179.4-58.2170.7000105.1S44 F45I36-S44 CarbonylContact O-C 3.41Å; I36-S44 VanDerWaalsContact O-CA 3.24Å; I36-S44 WeakPolarHBondContact O-CA 3.49Å; I36-F45 HydrophobicContact CB-CB 4.21Å; I36-F45 PolarHBondContact N-O 3.05Å; I36-F45 PolarHBondContact O-N 2.77Å
37H72.7Confident73.5Confident100 Ų10081.3 Ų81.346%0.46341%0.412SS..EExtended strand (participates in β ladder)trans-135.7142.517358.6-81.8000109.4Q34 H41 L43Q34-H37 HydrophobicContact CB-CB 4.43Å; H37-H41 AromaticContact CD2-CE1 3.51Å; H37-H41 AromaticContact CD2-ND1 3.96Å; H37-H41 AromaticContact CG-CE1 3.74Å; H37-H41 AromaticContact CG-ND1 3.9Å; H37-L43 VanDerWaalsContact CA-O 3.29Å; H37-L43 WeakPolarHBondContact CA-O 3.43Å
38T74.7Confident73.1Confident62 Ų6279.3 Ų79.338%0.3840%0.399SS..  trans-77.5160.4166.948.80000110.1Q40 H41 H42 L43T38-Q40 PolarHBondContact O-N 3.47Å; T38-H41 WeakPolarHBondContact O-CA 3.3Å; T38-H41 PolarHBondContact O-N 3.03Å; T38-H42 PolarHBondContact OG1-N 3.1Å; T38-H42 VanDerWaalsContact OG1-N 3.08Å; T38-L43 HydrophobicContact CG2-CB 4.23Å; T38-L43 PolarHBondContact N-O 2.89Å; T38-L43 PolarHBondContact OG1-N 2.96Å
39E57Low72.9Confident199 Ų19980.1 Ų80.193%0.9341%0.408SS*.THydrogen-bonded Turntrans-56.3-20.6-173.8-67.2-164.1160.700114.8
40Q61.2Low72.9Confident122 Ų12278.6 Ų78.657%0.5741%0.408SS*.THydrogen-bonded Turntrans-11316175.4-67.7-177.1-14.700113T38 H42T38-Q40 PolarHBondContact O-N 3.47Å; Q40-H42 VanDerWaalsContact CB-CD2 3.43Å; Q40-H42 WeakPolarHBondContact CB-CD2 3.49Å; Q40-H42 WeakPolarHBondContact CB-NE2 3.35Å; Q40-H42 PolarHBondContact O-N 3.36Å; Q40-H42 VanDerWaalsContact O-N 3.07Å; Q40-H42 PolarHBondContact OE1-CD2 3.1Å; Q40-H42 PolarHBondContact OE1-NE2 2.8Å
41H62.1Low72.9Confident99 Ų9974.6 Ų74.646%0.45839%0.386SS..SBendtrans5519.7-175.5-65.2-82.1000115.6Q34 H37 T38 L43Q34-H41 PolarHBondContact OE1-CE1 3.2Å; Q34-H41 PolarHBondContact OE1-ND1 3.46Å; H37-H41 AromaticContact CD2-CE1 3.51Å; H37-H41 AromaticContact CD2-ND1 3.96Å; H37-H41 AromaticContact CG-CE1 3.74Å; H37-H41 AromaticContact CG-ND1 3.9Å; T38-H41 WeakPolarHBondContact O-CA 3.3Å; T38-H41 PolarHBondContact O-N 3.03Å; H41-L43 PolarHBondContact O-N 3.01Å
42H59.1Low73.1Confident24 Ų2472.7 Ų72.711%0.11137%0.373CS..SBendtrans-60.8-26176.6-68.7-50.9000113.3T38 Q40 W410 L414 L517T38-H42 PolarHBondContact OG1-N 3.1Å; T38-H42 VanDerWaalsContact OG1-N 3.08Å; Q40-H42 VanDerWaalsContact CB-CD2 3.43Å; Q40-H42 WeakPolarHBondContact CB-CD2 3.49Å; Q40-H42 WeakPolarHBondContact CB-NE2 3.35Å; Q40-H42 PolarHBondContact O-N 3.36Å; Q40-H42 VanDerWaalsContact O-N 3.07Å; Q40-H42 PolarHBondContact OE1-CD2 3.1Å; Q40-H42 PolarHBondContact OE1-NE2 2.8Å; H42-W410 AromaticContact ND1-CD1 3.76Å; H42-W410 AromaticContact ND1-NE1 3.96Å; H42-W410 PolarHBondContact O-NE1 3.47Å; H42-L414 WeakPolarHBondContact O-CD2 3.37Å; H42-L517 HydrophobicContact CB-CD1 3.98Å
43L63.3Low73.7Confident90 Ų9074 Ų7447%0.47138%0.376SS..SBendtrans-136.2122.3172.6-165.4135.5000108.1H37 T38 H41 L414H37-L43 VanDerWaalsContact CA-O 3.29Å; H37-L43 WeakPolarHBondContact CA-O 3.43Å; T38-L43 HydrophobicContact CG2-CB 4.23Å; T38-L43 PolarHBondContact N-O 2.89Å; T38-L43 PolarHBondContact OG1-N 2.96Å; H41-L43 PolarHBondContact O-N 3.01Å; L43-L414 HydrophobicContact CD1-CD1 4.32Å
44S66.8Low74.5Confident52 Ų5271.8 Ų71.836%0.36437%0.373SS..EExtended strand (participates in β ladder)trans-131.2128179.457.10000112.1Q34 I36Q34-S44 PolarHBondContact NE2-OG 3.33Å; Q34-S44 VanDerWaalsContact OE1-CB 3.26Å; I36-S44 CarbonylContact O-C 3.41Å; I36-S44 VanDerWaalsContact O-CA 3.24Å; I36-S44 WeakPolarHBondContact O-CA 3.49Å
45F73.4Confident75.2Confident80 Ų8069.6 Ų69.635%0.35136%0.363SS..EExtended strand (participates in β ladder)trans-109106.6168.9-171.4-102.8000109.3F35 I36 G49 A50F35-F45 PolarHBondContact N-O 3.31Å; I36-F45 HydrophobicContact CB-CB 4.21Å; I36-F45 PolarHBondContact N-O 3.05Å; I36-F45 PolarHBondContact O-N 2.77Å; F45-G49 VanDerWaalsContact CZ-C 3.48Å; F45-A50 HydrophobicContact CE1-CB 3.77Å; F45-A50 HydrophobicContact CZ-CB 4.12Å; F45-A50 VanDerWaalsContact CZ-N 3.34Å
46G77.2Confident76.2Confident17 Ų1766.5 Ų66.518%0.17535%0.351CS..EExtended strand (participates in β ladder)trans-99.5173.1-175.500000115.3Y33 Y48 G49 A50Y33-G46 CarbonylContact O-C 3.4Å; Y33-G46 WeakPolarHBondContact O-CA 3.28Å; G46-Y48 VanDerWaalsContact C-N 3.25Å; G46-Y48 PolarHBondContact O-N 3.36Å; G46-G49 WeakPolarHBondContact O-CA 3.49Å; G46-G49 PolarHBondContact O-N 2.85Å; G46-A50 PolarHBondContact O-N 3.23Å
47L78.8Confident77.3Confident63 Ų6367.5 Ų67.533%0.3335%0.351SS..Hα-helixtrans-55.3-38.3179.1-175.763.8000113.2A28 Y33 F35 A50 F51A28-L47 HydrophobicContact CB-CB 4.11Å; A28-L47 HydrophobicContact CB-CD2 3.62Å; A28-L47 HydrophobicContact CB-CG 3.62Å; Y33-L47 PolarHBondContact O-N 3.04Å; F35-L47 HydrophobicContact CE2-CB 4.02Å; F35-L47 HydrophobicContact CE2-CD1 3.85Å; F35-L47 HydrophobicContact CZ-CB 4.3Å; F35-L47 HydrophobicContact CZ-CD1 3.57Å; L47-A50 PolarHBondContact O-N 3.18Å; L47-F51 PolarHBondContact O-N 3.33Å
48Y80.6Confident78.4Confident40 Ų4065 Ų6516%0.15734%0.341CS..Hα-helixtrans-64-41.4174.3-177.3-107000112.6I25 Y29 G46 F51 L52 F392I25-Y48 HydrophobicContact CG2-CD2 4.36Å; I25-Y48 HydrophobicContact CG2-CE2 4.02Å; Y29-Y48 HydrophobicContact CD2-CD1 4.49Å; Y29-Y48 HydrophobicContact CD2-CD2 4.3Å; Y29-Y48 HydrophobicContact CD2-CE2 4.41Å; Y29-Y48 HydrophobicContact CD2-CG 4.35Å; G46-Y48 VanDerWaalsContact C-N 3.25Å; G46-Y48 PolarHBondContact O-N 3.36Å; Y48-F51 PolarHBondContact O-N 3.21Å; Y48-L52 HydrophobicContact CD1-CD1 4.04Å; Y48-L52 HydrophobicContact CE1-CD1 3.5Å; Y48-L52 HydrophobicContact CE1-CG 4.23Å; Y48-L52 WeakPolarHBondContact O-CG 3.4Å; Y48-L52 PolarHBondContact O-N 3.41Å; Y48-F392 WeakPolarHBondContact OH-CD2 3.34Å
49G82.1Confident79.4Confident21 Ų2162.8 Ų62.822%0.21633%0.327CS..Hα-helixtrans-63.4-42.6174.900000112.1F45 G46 F51 L52 S53F45-G49 VanDerWaalsContact CZ-C 3.48Å; G46-G49 WeakPolarHBondContact O-CA 3.49Å; G46-G49 PolarHBondContact O-N 2.85Å; G49-F51 PolarHBondContact O-N 2.84Å; G49-L52 PolarHBondContact O-N 2.79Å; G49-S53 PolarHBondContact O-N 3.1Å; G49-S53 PolarHBondContact O-OG 3.43Å
50A84.9Confident81.1Confident30 Ų3054.6 Ų54.625%0.24829%0.291CS..Hα-helixtrans-60.2-44175.100000112.1F35 F45 G46 L47 S53 L54F35-A50 HydrophobicContact CE2-CB 3.99Å; F45-A50 HydrophobicContact CE1-CB 3.77Å; F45-A50 HydrophobicContact CZ-CB 4.12Å; F45-A50 VanDerWaalsContact CZ-N 3.34Å; G46-A50 PolarHBondContact O-N 3.23Å; L47-A50 PolarHBondContact O-N 3.18Å; A50-S53 PolarHBondContact O-N 2.9Å; A50-L54 WeakPolarHBondContact O-CB 2.93Å; A50-L54 PolarHBondContact O-N 3Å
51F87.6Confident82.7Confident39 Ų3951.8 Ų51.817%0.17128%0.28CS..Hα-helixtrans-60.4-45.8176.2177.7-90.8000112.3I25 L47 Y48 G49 L54 H55 Y384 V388I25-F51 HydrophobicContact CD1-CE1 3.68Å; I25-F51 HydrophobicContact CD1-CE2 4.32Å; I25-F51 HydrophobicContact CD1-CZ 3.5Å; I25-F51 VanDerWaalsContact CD1-CZ 3.5Å; I25-F51 HydrophobicContact CG1-CD1 4.16Å; I25-F51 HydrophobicContact CG1-CD2 4.43Å; I25-F51 HydrophobicContact CG1-CE1 3.65Å; I25-F51 HydrophobicContact CG1-CE2 3.93Å; I25-F51 HydrophobicContact CG1-CZ 3.51Å; L47-F51 PolarHBondContact O-N 3.33Å; Y48-F51 PolarHBondContact O-N 3.21Å; G49-F51 PolarHBondContact O-N 2.84Å; F51-L54 PolarHBondContact O-N 2.82Å; F51-H55 PolarHBondContact O-N 3.23Å; F51-Y384 HydrophobicContact CE2-CE2 4.04Å; F51-Y384 AromaticContact CZ-CE2 3.68Å; F51-Y384 HydrophobicContact CZ-CE2 3.68Å; F51-V388 HydrophobicContact CE1-CG1 4.49Å; F51-V388 HydrophobicContact CE1-CG2 3.84Å; F51-V388 HydrophobicContact CZ-CG2 3.7Å
52L86Confident84.4Confident40 Ų4049 Ų4921%0.20927%0.266CS..Hα-helixtrans-63.9-41.9177.2-68.9178.8000111.8Y48 G49 L54 H55 L56 F392Y48-L52 HydrophobicContact CD1-CD1 4.04Å; Y48-L52 HydrophobicContact CE1-CD1 3.5Å; Y48-L52 HydrophobicContact CE1-CG 4.23Å; Y48-L52 WeakPolarHBondContact O-CG 3.4Å; Y48-L52 PolarHBondContact O-N 3.41Å; G49-L52 PolarHBondContact O-N 2.79Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-L54 PolarHBondContact O-N 3.13Å; L52-H55 WeakPolarHBondContact O-CB 3.25Å; L52-H55 PolarHBondContact O-N 3.47Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.32Å; L52-L56 PolarHBondContact O-N 3.45Å; L52-F392 HydrophobicContact CD1-CE2 3.97Å; L52-F392 HydrophobicContact CD2-CD2 3.93Å; L52-F392 HydrophobicContact CD2-CE2 3.79Å
53S87.3Confident86.2Confident64 Ų6447.9 Ų47.945%0.44826%0.261SS..Hα-helixtrans-60.6-43.9175.2-67.10000111.8G49 A50 L56 F57G49-S53 PolarHBondContact O-N 3.1Å; G49-S53 PolarHBondContact O-OG 3.43Å; A50-S53 PolarHBondContact O-N 2.9Å; S53-L56 PolarHBondContact O-N 2.82Å; S53-F57 WeakPolarHBondContact O-CB 3.31Å; S53-F57 PolarHBondContact O-N 3.2Å
54L90.9Very high87.7Confident95 Ų9547.9 Ų47.950%0.49726%0.258SS..Hα-helixtrans-62.4-44.1175.6-179.862.6000111.6A50 F51 L52 L56 F57 L58A50-L54 WeakPolarHBondContact O-CB 2.93Å; A50-L54 PolarHBondContact O-N 3Å; F51-L54 PolarHBondContact O-N 2.82Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-L54 PolarHBondContact O-N 3.13Å; L54-L56 VanDerWaalsContact C-N 3.35Å; L54-L56 PolarHBondContact O-N 2.95Å; L54-F57 PolarHBondContact O-N 3.18Å; L54-L58 HydrophobicContact CD1-CD1 4.13Å; L54-L58 HydrophobicContact CD1-CG 4.07Å; L54-L58 HydrophobicContact CG-CD1 4.02Å; L54-L58 HydrophobicContact CG-CG 4.37Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 WeakPolarHBondContact O-CG 3.48Å; L54-L58 PolarHBondContact O-N 3.08Å
55H92.3Very high89.1Confident15 Ų1547.8 Ų47.87%0.06925%0.253CS..Hα-helixtrans-56.1-49175.517675.4000111.7F51 L52 F57 L58 Q59 Y384F51-H55 PolarHBondContact O-N 3.23Å; L52-H55 WeakPolarHBondContact O-CB 3.25Å; L52-H55 PolarHBondContact O-N 3.47Å; H55-F57 VanDerWaalsContact C-N 3.34Å; H55-F57 PolarHBondContact O-N 3.09Å; H55-L58 PolarHBondContact O-N 2.95Å; H55-Q59 VanDerWaalsContact O-CB 3.32Å; H55-Q59 WeakPolarHBondContact O-CB 3.17Å; H55-Q59 PolarHBondContact O-N 3.46Å; H55-Y384 WeakPolarHBondContact CB-OH 3.36Å; H55-Y384 AromaticContact ND1-CE1 3.38Å; H55-Y384 WeakPolarHBondContact ND1-CE1 3.49Å; H55-Y384 AromaticContact ND1-CZ 3.55Å; H55-Y384 PolarHBondContact ND1-OH 3.12Å
56L91.4Very high90.2Very high39 Ų3944.5 Ų44.520%0.20424%0.238CC..Hα-helixtrans-64.6-38.4179.8-68.1-178.6000112.5L52 S53 L54 S60 V422L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.32Å; L52-L56 PolarHBondContact O-N 3.45Å; S53-L56 PolarHBondContact O-N 2.82Å; L54-L56 VanDerWaalsContact C-N 3.35Å; L54-L56 PolarHBondContact O-N 2.95Å; L56-S60 WeakPolarHBondContact O-CB 3.47Å; L56-S60 PolarHBondContact O-N 3.49Å; L56-S60 PolarHBondContact O-OG 2.95Å; L56-V422 HydrophobicContact CD1-CG1 4.06Å
57F93.3Very high91Very high127 Ų12744.6 Ų44.656%0.55723%0.234SC*.Hα-helixtrans-63.7-52.1175.2174.9-99.9000111.3S53 L54 H55 Q59 S60 L61S53-F57 WeakPolarHBondContact O-CB 3.31Å; S53-F57 PolarHBondContact O-N 3.2Å; L54-F57 PolarHBondContact O-N 3.18Å; H55-F57 VanDerWaalsContact C-N 3.34Å; H55-F57 PolarHBondContact O-N 3.09Å; F57-Q59 PolarHBondContact O-N 3.4Å; F57-S60 PolarHBondContact O-N 2.88Å; F57-L61 HydrophobicContact CE1-CD2 4.14Å; F57-L61 HydrophobicContact CZ-CD2 4.39Å; F57-L61 WeakPolarHBondContact O-CB 3.38Å; F57-L61 PolarHBondContact O-N 3.35Å
58L95.8Very high91.7Very high46 Ų4649.8 Ų49.824%0.24125%0.249CC..Hα-helixtrans-61.2-45.2-179.9-69.3175.7000111.6L54 H55 S60 L61 F62 W381L54-L58 HydrophobicContact CD1-CD1 4.13Å; L54-L58 HydrophobicContact CD1-CG 4.07Å; L54-L58 HydrophobicContact CG-CD1 4.02Å; L54-L58 HydrophobicContact CG-CG 4.37Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 WeakPolarHBondContact O-CG 3.48Å; L54-L58 PolarHBondContact O-N 3.08Å; H55-L58 PolarHBondContact O-N 2.95Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 3.25Å; L58-L61 PolarHBondContact O-N 3.43Å; L58-F62 HydrophobicContact CB-CD2 4.47Å; L58-F62 HydrophobicContact CB-CE2 4.42Å; L58-F62 HydrophobicContact CD2-CE2 4.26Å; L58-F62 WeakPolarHBondContact O-CD2 3.49Å; L58-F62 PolarHBondContact O-N 3.17Å; L58-W381 HydrophobicContact CB-CH2 3.95Å; L58-W381 HydrophobicContact CB-CZ3 4.05Å; L58-W381 HydrophobicContact CD1-CZ3 4.46Å
59Q95.4Very high92.2Very high17 Ų1753.5 Ų53.58%0.07926%0.263CS..Hα-helixtrans-60.5-44.6178-170.5178.953.400111.2H55 F57 A63 I272 C276 W381H55-Q59 VanDerWaalsContact O-CB 3.32Å; H55-Q59 WeakPolarHBondContact O-CB 3.17Å; H55-Q59 PolarHBondContact O-N 3.46Å; F57-Q59 PolarHBondContact O-N 3.4Å; Q59-A63 VanDerWaalsContact O-CB 3.29Å; Q59-A63 WeakPolarHBondContact O-CB 3.47Å; Q59-A63 PolarHBondContact O-N 3.28Å; Q59-I272 HydrophobicContact CG-CG2 4.17Å; Q59-C276 HydrophobicContact CG-CB 3.89Å; Q59-W381 HydrophobicContact CB-CH2 4.5Å; Q59-W381 HydrophobicContact CB-CZ2 4.37Å
60S94Very high92.7Very high26 Ų2653.7 Ų53.718%0.18226%0.259CS..Hα-helixtrans-63.2-44.9176.7-63.20000112.3L56 F57 L58 A63 F64 Y429L56-S60 WeakPolarHBondContact O-CB 3.47Å; L56-S60 PolarHBondContact O-N 3.49Å; L56-S60 PolarHBondContact O-OG 2.95Å; F57-S60 PolarHBondContact O-N 2.88Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 3.25Å; S60-A63 PolarHBondContact O-N 2.88Å; S60-F64 WeakPolarHBondContact O-CB 3.45Å; S60-F64 PolarHBondContact O-N 3.12Å; S60-Y429 PolarHBondContact O-OH 2.64Å
61L95.4Very high92.9Very high63 Ų6361.2 Ų61.233%0.3328%0.28SS..Hα-helixtrans-60.6-51.4179.2176.262.9000111.5F57 L58 A63 F64 L65F57-L61 HydrophobicContact CE1-CD2 4.14Å; F57-L61 HydrophobicContact CZ-CD2 4.39Å; F57-L61 WeakPolarHBondContact O-CB 3.38Å; F57-L61 PolarHBondContact O-N 3.35Å; L58-L61 PolarHBondContact O-N 3.43Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 3.44Å; L61-F64 WeakPolarHBondContact O-CB 3.5Å; L61-F64 PolarHBondContact O-N 3.16Å; L61-L65 HydrophobicContact CD1-CD1 4.44Å; L61-L65 HydrophobicContact CD1-CG 4.43Å; L61-L65 HydrophobicContact CG-CD1 4.32Å; L61-L65 WeakPolarHBondContact O-CG 3.43Å; L61-L65 PolarHBondContact O-N 3.43Å
62F97.4Very high92.6Very high41 Ų4162.7 Ų62.718%0.1830%0.296CS..Hα-helixtrans-68.7-32.4-179.2-71.9-61.3000112.6L58 L65 E66 C276 Y279 F280 W381L58-F62 HydrophobicContact CB-CD2 4.47Å; L58-F62 HydrophobicContact CB-CE2 4.42Å; L58-F62 HydrophobicContact CD2-CE2 4.26Å; L58-F62 WeakPolarHBondContact O-CD2 3.49Å; L58-F62 PolarHBondContact O-N 3.17Å; F62-L65 HydrophobicContact CD1-CD1 4.06Å; F62-L65 HydrophobicContact CE1-CD1 4.38Å; F62-L65 PolarHBondContact O-N 3.12Å; F62-E66 PolarHBondContact O-N 3.41Å; F62-C276 HydrophobicContact CB-CB 4.45Å; F62-Y279 HydrophobicContact CB-CD1 4.38Å; F62-Y279 HydrophobicContact CB-CG 4.24Å; F62-Y279 AromaticContact CD1-CD1 3.52Å; F62-Y279 HydrophobicContact CD1-CD1 3.52Å; F62-Y279 HydrophobicContact CD1-CD2 4.33Å; F62-Y279 AromaticContact CD1-CE1 3.41Å; F62-Y279 HydrophobicContact CD1-CE1 3.41Å; F62-Y279 VanDerWaalsContact CD1-CE1 3.41Å; F62-Y279 HydrophobicContact CD1-CE2 4.2Å; F62-Y279 HydrophobicContact CD1-CG 4Å; F62-Y279 AromaticContact CD1-CZ 3.76Å; F62-Y279 HydrophobicContact CE1-CD1 4.14Å; F62-Y279 AromaticContact CE1-CE1 3.63Å; F62-Y279 HydrophobicContact CE1-CE1 3.63Å; F62-Y279 HydrophobicContact CG-CD1 4.2Å; F62-Y279 HydrophobicContact CG-CE1 4.47Å; F62-F280 HydrophobicContact CB-CE2 4.05Å; F62-F280 HydrophobicContact CD1-CE2 4.08Å; F62-F280 AromaticContact CD1-CZ 3.89Å; F62-F280 HydrophobicContact CD1-CZ 3.89Å; F62-F280 AromaticContact CD2-CE2 3.62Å; F62-F280 HydrophobicContact CD2-CE2 3.62Å; F62-F280 AromaticContact CD2-CZ 3.67Å; F62-F280 HydrophobicContact CD2-CZ 3.67Å; F62-F280 HydrophobicContact CE1-CE2 4.48Å; F62-F280 AromaticContact CE1-CZ 3.84Å; F62-F280 HydrophobicContact CE1-CZ 3.84Å; F62-F280 HydrophobicContact CE2-CE2 4.07Å; F62-F280 AromaticContact CE2-CZ 3.64Å; F62-F280 HydrophobicContact CE2-CZ 3.64Å; F62-F280 AromaticContact CG-CE2 3.64Å; F62-F280 HydrophobicContact CG-CE2 3.64Å; F62-F280 AromaticContact CG-CZ 3.82Å; F62-F280 HydrophobicContact CG-CZ 3.82Å; F62-F280 HydrophobicContact CZ-CE2 4.48Å; F62-F280 AromaticContact CZ-CZ 3.73Å; F62-F280 HydrophobicContact CZ-CZ 3.73Å; F62-W381 HydrophobicContact CD2-CH2 4.48Å; F62-W381 HydrophobicContact CD2-CZ3 4.28Å; F62-W381 HydrophobicContact CE2-CZ3 4.35Å
63A96.4Very high91.7Very high0 Ų066.6 Ų66.60%032%0.324CS..Hα-helixtrans-61.4-47169.800000111.7Q59 S60 L61 L65 E66 H67 I272 A275 C276Q59-A63 VanDerWaalsContact O-CB 3.29Å; Q59-A63 WeakPolarHBondContact O-CB 3.47Å; Q59-A63 PolarHBondContact O-N 3.28Å; S60-A63 PolarHBondContact O-N 2.88Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 3.44Å; A63-L65 PolarHBondContact O-N 2.85Å; A63-E66 PolarHBondContact O-N 2.97Å; A63-H67 PolarHBondContact O-CD2 3.43Å; A63-H67 VanDerWaalsContact O-CD2 3.24Å; A63-H67 PolarHBondContact O-N 3.07Å; A63-I272 HydrophobicContact CB-CD1 4.44Å; A63-I272 HydrophobicContact CB-CG2 4.38Å; A63-I272 WeakPolarHBondContact CB-O 3.5Å; A63-A275 HydrophobicContact CB-CB 3.99Å; A63-C276 HydrophobicContact CB-CB 4.25Å
64F94.9Very high90.7Very high91 Ų9165.8 Ų65.840%0.39932%0.321SS..Hα-helixtrans-59.8-44.5176.6172.6-99.3000112.1S60 L61 E66 H67 R68 L433S60-F64 WeakPolarHBondContact O-CB 3.45Å; S60-F64 PolarHBondContact O-N 3.12Å; L61-F64 WeakPolarHBondContact O-CB 3.5Å; L61-F64 PolarHBondContact O-N 3.16Å; F64-E66 VanDerWaalsContact C-N 3.34Å; F64-E66 PolarHBondContact O-N 3.04Å; F64-H67 PolarHBondContact O-N 3.23Å; F64-R68 PolarHBondContact O-N 2.98Å; F64-L433 HydrophobicContact CD2-CD1 4.1Å
65L95.9Very high89.4Confident50 Ų5071.7 Ų71.726%0.26234%0.336SS..Hα-helixtrans-62.7-40177.3-67.9175.8000112.1L61 F62 A63 R68 R69 Y279L61-L65 HydrophobicContact CD1-CD1 4.44Å; L61-L65 HydrophobicContact CD1-CG 4.43Å; L61-L65 HydrophobicContact CG-CD1 4.32Å; L61-L65 WeakPolarHBondContact O-CG 3.43Å; L61-L65 PolarHBondContact O-N 3.43Å; F62-L65 HydrophobicContact CD1-CD1 4.06Å; F62-L65 HydrophobicContact CE1-CD1 4.38Å; F62-L65 PolarHBondContact O-N 3.12Å; A63-L65 PolarHBondContact O-N 2.85Å; L65-R68 PolarHBondContact O-N 2.9Å; L65-R69 WeakPolarHBondContact O-CG 3.3Å; L65-R69 PolarHBondContact O-N 3.22Å; L65-Y279 HydrophobicContact CB-CD2 3.99Å; L65-Y279 HydrophobicContact CB-CE2 3.67Å; L65-Y279 HydrophobicContact CD1-CE2 4.1Å
66E95.9Very high87.6Confident11 Ų1177.3 Ų77.35%0.05138%0.375CS..Hα-helixtrans-67.3-42.6176-169.376159.100111.6F62 A63 F64 R68 R69 M70 A275 S278 Y279 K335F62-E66 PolarHBondContact O-N 3.41Å; A63-E66 PolarHBondContact O-N 2.97Å; F64-E66 VanDerWaalsContact C-N 3.34Å; F64-E66 PolarHBondContact O-N 3.04Å; E66-R68 VanDerWaalsContact C-N 3.26Å; E66-R68 PolarHBondContact O-N 3.39Å; E66-R69 WeakPolarHBondContact O-CA 3.38Å; E66-R69 WeakPolarHBondContact O-CB 3.12Å; E66-R69 PolarHBondContact O-N 3.42Å; E66-R69 WeakPolarHBondContact OE2-CD 3.41Å; E66-R69 IonicContact OE2-NH1 2.77Å; E66-R69 PolarHBondContact OE2-NH1 2.66Å; E66-M70 HydrophobicContact CB-CE 4.44Å; E66-M70 HydrophobicContact CG-CE 3.39Å; E66-M70 WeakPolarHBondContact O-CG 3.21Å; E66-M70 PolarHBondContact O-N 2.94Å; E66-A275 WeakPolarHBondContact CB-O 3.5Å; E66-S278 VanDerWaalsContact OE1-C 3.31Å; E66-S278 WeakPolarHBondContact OE1-CB 3.3Å; E66-S278 PolarHBondContact OE1-OG 2.89Å; E66-Y279 HydrophobicContact CB-CD2 4.28Å; E66-Y279 WeakPolarHBondContact OE2-CA 3.26Å; E66-K335 IonicContact OE1-NZ 2.73Å; E66-K335 PolarHBondContact OE1-NZ 2.63Å; E66-K335 VanDerWaalsContact OE1-NZ 3.14Å
67H94.3Very high86.2Confident18 Ų1879 Ų798%0.08338%0.382CS..Hα-helixtrans-58.1-40.1173.3-85.3-69.1000112.2A63 F64 R69 M70 R71 N271A63-H67 PolarHBondContact O-CD2 3.43Å; A63-H67 VanDerWaalsContact O-CD2 3.24Å; A63-H67 PolarHBondContact O-N 3.07Å; F64-H67 PolarHBondContact O-N 3.23Å; H67-R69 VanDerWaalsContact C-N 3.32Å; H67-R69 PolarHBondContact O-N 3.29Å; H67-M70 PolarHBondContact O-N 3.21Å; H67-R71 WeakPolarHBondContact O-CG 3.19Å; H67-R71 PolarHBondContact O-N 2.96Å; H67-R71 VanDerWaalsContact O-N 3.1Å; H67-N271 PolarHBondContact CD2-O 3.06Å; H67-N271 PolarHBondContact CE1-OD1 3.27Å; H67-N271 VanDerWaalsContact CE1-OD1 3.25Å; H67-N271 PolarHBondContact NE2-O 2.96Å
68R93.3Very high84.5Confident172 Ų17282.2 Ų82.265%0.64940%0.398SS*.Hα-helixtrans-62.7-38.7174.5-171.6177.8176.2-178.4-0.6111.8F64 L65 E66 R71F64-R68 PolarHBondContact O-N 2.98Å; L65-R68 PolarHBondContact O-N 2.9Å; E66-R68 VanDerWaalsContact C-N 3.26Å; E66-R68 PolarHBondContact O-N 3.39Å; R68-R71 PolarHBondContact O-N 2.72Å
69R92.3Very high83.4Confident119 Ų11981.7 Ų81.745%0.44940%0.395SS..Hα-helixtrans-63.5-47.2173.3-72.3172.8174.6172.7-0.9111.5L65 E66 H67 R71 S72 Y279L65-R69 WeakPolarHBondContact O-CG 3.3Å; L65-R69 PolarHBondContact O-N 3.22Å; E66-R69 WeakPolarHBondContact O-CA 3.38Å; E66-R69 WeakPolarHBondContact O-CB 3.12Å; E66-R69 PolarHBondContact O-N 3.42Å; E66-R69 WeakPolarHBondContact OE2-CD 3.41Å; E66-R69 IonicContact OE2-NH1 2.77Å; E66-R69 PolarHBondContact OE2-NH1 2.66Å; H67-R69 VanDerWaalsContact C-N 3.32Å; H67-R69 PolarHBondContact O-N 3.29Å; R69-R71 PolarHBondContact O-N 3.1Å; R69-S72 VanDerWaalsContact O-CB 3.26Å; R69-S72 WeakPolarHBondContact O-CB 3.41Å; R69-S72 PolarHBondContact O-N 3.03Å; R69-S72 PolarHBondContact O-OG 3.46Å; R69-Y279 VanDerWaalsContact NH2-CE2 3.26Å; R69-Y279 VanDerWaalsContact NH2-CZ 3.33Å; R69-Y279 PolarHBondContact NH2-OH 3.36Å
70M92.4Very high82.7Confident25 Ų2592.2 Ų92.212%0.12343%0.434CS..Hα-helixtrans-60.4-30.8179.9-65.2174.9-168.700113.3E66 H67 S72 Y336 A338 R339E66-M70 HydrophobicContact CB-CE 4.44Å; E66-M70 HydrophobicContact CG-CE 3.39Å; E66-M70 WeakPolarHBondContact O-CG 3.21Å; E66-M70 PolarHBondContact O-N 2.94Å; H67-M70 PolarHBondContact O-N 3.21Å; M70-S72 PolarHBondContact O-N 3.41Å; M70-Y336 HydrophobicContact CE-CD1 3.58Å; M70-Y336 HydrophobicContact CE-CE1 3.92Å; M70-Y336 WeakPolarHBondContact CE-O 3.49Å; M70-Y336 HydrophobicContact SD-CE1 4.49Å; M70-A338 HydrophobicContact SD-CB 3.82Å; M70-A338 PolarHBondContact SD-N 3.45Å; M70-R339 VanDerWaalsContact O-CD 3.26Å; M70-R339 WeakPolarHBondContact O-CD 3.34Å
71R88.1Confident82.6Confident187 Ų18796 Ų9671%0.70644%0.444SS*.THydrogen-bonded Turntrans-71.1-16.9176.1-72.5176.6-172.5-174.82.2113.8H67 R68 R69H67-R71 WeakPolarHBondContact O-CG 3.19Å; H67-R71 PolarHBondContact O-N 2.96Å; H67-R71 VanDerWaalsContact O-N 3.1Å; R68-R71 PolarHBondContact O-N 2.72Å; R69-R71 PolarHBondContact O-N 3.1Å
72S81.6Confident82.6Confident71 Ų7195.1 Ų95.150%0.49744%0.443SS..SBendtrans-65.1136178.1-58.40000109.5R69 M70 A74R69-S72 VanDerWaalsContact O-CB 3.26Å; R69-S72 WeakPolarHBondContact O-CB 3.41Å; R69-S72 PolarHBondContact O-N 3.03Å; R69-S72 PolarHBondContact O-OG 3.46Å; M70-S72 PolarHBondContact O-N 3.41Å; S72-A74 PolarHBondContact O-N 2.98Å
73P68.3Low82.6Confident122 Ų12293.2 Ų93.279%0.79244%0.435SS*.PPolyproline II helixtrans-59.9124.9-18020.7-29.1000109.6R75P73-R75 PolarHBondContact O-N 3Å
74A65.8Low82.7Confident47 Ų4793.2 Ų93.239%0.38844%0.435SS..PPolyproline II helixtrans-65.3135.3176.100000108.6S72 K233S72-A74 PolarHBondContact O-N 2.98Å; A74-K233 HydrophobicContact CB-CD 3.98Å
75R62.6Low82.9Confident218 Ų21888.9 Ų88.982%0.82342%0.416SS*.PPolyproline II helixtrans-60138.8174.3-69.7-179-179.4-179.9-0.2109P73 Q77P73-R75 PolarHBondContact O-N 3Å; R75-Q77 PolarHBondContact O-N 3.15Å
76P55.6Low83Confident134 Ų13486.8 Ų86.887%0.8741%0.406SS*.  trans-58.3113.1173.6-17.328.5000108.6
77Q60.9Low83.2Confident75 Ų7586.5 Ų86.535%0.3540%0.404SS..  trans-105.1132.5173.4-72.8-178.9-2.700107.9R75 L79R75-Q77 PolarHBondContact O-N 3.15Å; Q77-L79 HydrophobicContact CB-CD1 4.29Å; Q77-L79 HydrophobicContact CB-CD2 3.87Å; Q77-L79 HydrophobicContact CB-CG 3.72Å; Q77-L79 PolarHBondContact O-N 3.32Å
78H58.8Low83.2Confident193 Ų19386.2 Ų86.289%0.89441%0.406SS*.  trans-71.179.1167.4-73-73.2000109R80H78-R80 VanDerWaalsContact C-N 3.26Å; H78-R80 PolarHBondContact O-N 3.25Å
79L71.8Confident83.3Confident36 Ų3678.2 Ų78.219%0.18838%0.376CS..  trans-78.667.4-174.3-68.4168.8000111.5Q77 R81 I229 L232 K233 E236Q77-L79 HydrophobicContact CB-CD1 4.29Å; Q77-L79 HydrophobicContact CB-CD2 3.87Å; Q77-L79 HydrophobicContact CB-CG 3.72Å; Q77-L79 PolarHBondContact O-N 3.32Å; L79-R81 PolarHBondContact O-N 2.79Å; L79-I229 HydrophobicContact CB-CD1 4.44Å; L79-I229 HydrophobicContact CD1-CD1 3.53Å; L79-I229 HydrophobicContact CD1-CG1 4.38Å; L79-L232 HydrophobicContact CB-CD2 3.95Å; L79-L232 HydrophobicContact CD1-CD2 4.21Å; L79-L232 HydrophobicContact CD1-CG 4.48Å; L79-L232 HydrophobicContact CD2-CD2 4Å; L79-L232 HydrophobicContact CD2-CG 4.02Å; L79-L232 HydrophobicContact CG-CD2 4.28Å; L79-K233 HydrophobicContact CD1-CG 3.88Å; L79-E236 HydrophobicContact CD2-CB 3.92Å; L79-E236 HydrophobicContact CD2-CG 3.59Å
80R81.4Confident83.3Confident237 Ų23776 Ų7689%0.89437%0.368SS*.  trans-81.864.4169.4-70.3-172176.9-173.50.5110.2H78H78-R80 VanDerWaalsContact C-N 3.26Å; H78-R80 PolarHBondContact O-N 3.25Å
81R91.9Very high83.2Confident105 Ų10575.4 Ų75.440%0.39637%0.365SS..  trans-115.5144.8178.8-62.4-63.1-173.7-171.2-3.5111.2L79 F109 D212 Y213 L232 E236L79-R81 PolarHBondContact O-N 2.79Å; R81-F109 WeakPolarHBondContact O-CZ 3.31Å; R81-D212 IonicContact NH1-OD1 3.99Å; R81-Y213 HydrophobicContact CB-CD2 4.13Å; R81-Y213 HydrophobicContact CB-CE2 4.06Å; R81-Y213 HydrophobicContact CG-CE2 3.98Å; R81-L232 HydrophobicContact CB-CD1 4.1Å; R81-L232 HydrophobicContact CB-CD2 4.07Å; R81-L232 HydrophobicContact CG-CD1 4.29Å; R81-E236 HydrophobicContact CG-CG 4.45Å; R81-E236 IonicContact CZ-OE1 3.94Å; R81-E236 IonicContact CZ-OE2 3.48Å; R81-E236 IonicContact NE-OE1 3.16Å; R81-E236 PolarHBondContact NE-OE1 3.26Å; R81-E236 IonicContact NE-OE2 3.94Å; R81-E236 PolarHBondContact NE-OE2 2.99Å; R81-E236 IonicContact NH2-OE1 3.89Å; R81-E236 IonicContact NH2-OE2 3.19Å; R81-E236 PolarHBondContact NH2-OE2 3.02Å
82S95.9Very high83.4Confident45 Ų4567.5 Ų67.532%0.31534%0.336SS..  trans-90.1131.9175.857.20000110.4V211 D212 Y213S82-V211 VanDerWaalsContact OG-CA 3.27Å; S82-V211 WeakPolarHBondContact OG-CA 3.36Å; S82-D212 PolarHBondContact N-OD2 3.46Å; S82-D212 WeakPolarHBondContact O-CB 3.34Å; S82-D212 PolarHBondContact O-N 2.99Å; S82-D212 VanDerWaalsContact O-N 3.13Å; S82-D212 PolarHBondContact OG-N 3.18Å; S82-D212 PolarHBondContact OG-OD2 2.96Å; S82-Y213 PolarHBondContact O-N 2.69Å; S82-Y213 VanDerWaalsContact O-N 3.13Å
83V97.8Very high83.8Confident1 Ų166.9 Ų66.91%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-128.8134.9-179.2-175.10000109.1F109 L112 K113 Y213 Q215 T228 M292V83-F109 HydrophobicContact CB-CD1 4.42Å; V83-F109 HydrophobicContact CB-CE1 3.9Å; V83-F109 HydrophobicContact CB-CZ 4.3Å; V83-F109 HydrophobicContact CG2-CD1 4.4Å; V83-F109 HydrophobicContact CG2-CE1 3.57Å; V83-F109 HydrophobicContact CG2-CE2 4.22Å; V83-F109 HydrophobicContact CG2-CZ 3.46Å; V83-F109 VanDerWaalsContact CG2-CZ 3.46Å; V83-L112 HydrophobicContact CB-CD1 3.95Å; V83-L112 HydrophobicContact CG1-CD1 3.87Å; V83-K113 PolarHBondContact O-N 2.93Å; V83-K113 VanDerWaalsContact O-N 3.1Å; V83-Y213 WeakPolarHBondContact CA-O 3.43Å; V83-Q215 HydrophobicContact CG1-CB 4.34Å; V83-T228 HydrophobicContact CB-CG2 4.39Å; V83-T228 HydrophobicContact CG1-CG2 3.99Å; V83-T228 HydrophobicContact CG2-CG2 4.36Å; V83-M292 HydrophobicContact CG1-CE 3.9Å
84A98.4Very high85Confident0 Ų064 Ų640%031%0.308CS..EExtended strand (participates in β ladder)trans-109.8130.216600000110.6K113 L207 V211 Y213 V214 Q215A84-K113 CarbonylContact C-O 3.52Å; A84-K113 WeakPolarHBondContact CA-O 3.5Å; A84-K113 HydrophobicContact CB-CB 4.26Å; A84-K113 HydrophobicContact CB-CG 4.47Å; A84-L207 HydrophobicContact CB-CD1 3.59Å; A84-L207 HydrophobicContact CB-CD2 3.65Å; A84-L207 HydrophobicContact CB-CG 4.3Å; A84-V211 HydrophobicContact CB-CB 4.48Å; A84-V211 HydrophobicContact CB-CG1 4.06Å; A84-V211 HydrophobicContact CB-CG2 3.93Å; A84-Y213 PolarHBondContact N-O 2.64Å; A84-V214 CarbonylContact O-C 3.54Å; A84-V214 WeakPolarHBondContact O-CA 3.29Å; A84-Q215 PolarHBondContact O-N 2.66Å
85L98.6Very high86.3Confident0 Ų066.8 Ų66.80%032%0.317CS..EExtended strand (participates in β ladder)trans-95.9114.9170177.262.6000109.9I87 V104 I107 L112 K113 V114 V115 Q215 C217 L223L85-I87 HydrophobicContact CG-CG1 4.23Å; L85-V104 HydrophobicContact CD2-CB 4.28Å; L85-V104 HydrophobicContact CD2-CG1 3.66Å; L85-V104 HydrophobicContact CD2-CG2 3.71Å; L85-I107 HydrophobicContact CD2-CD1 3.88Å; L85-L112 HydrophobicContact CB-CD1 4.23Å; L85-L112 HydrophobicContact CB-CD2 4.44Å; L85-K113 PolarHBondContact N-O 2.97Å; L85-V114 WeakPolarHBondContact O-CA 3.23Å; L85-V115 PolarHBondContact O-N 2.88Å; L85-Q215 CarbonylContact C-O 3.53Å; L85-Q215 WeakPolarHBondContact CA-O 3.21Å; L85-Q215 HydrophobicContact CD1-CB 3.84Å; L85-Q215 HydrophobicContact CD1-CG 3.56Å; L85-C217 HydrophobicContact CD1-CB 3.82Å; L85-L223 HydrophobicContact CD1-CD1 4.42Å; L85-L223 HydrophobicContact CD2-CD1 3.84Å
86C98.4Very high87.7Confident7 Ų758 Ų585%0.04728%0.284CS..EExtended strand (participates in β ladder)trans-100123.8177.9-60.10000110.4V115 A203 F204 L207 Q215 V216 C217C86-V115 CarbonylContact C-O 3.09Å; C86-V115 WeakPolarHBondContact CA-O 3.31Å; C86-A203 HydrophobicContact CB-CB 3.99Å; C86-F204 HydrophobicContact CB-CE1 4.35Å; C86-L207 VanDerWaalsContact SG-CD1 3.56Å; C86-Q215 PolarHBondContact N-O 3.19Å; C86-V216 WeakPolarHBondContact O-CA 3.33Å; C86-C217 PolarHBondContact O-N 3.35Å
87I98.2Very high89.6Confident4 Ų451.7 Ų51.72%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-114.3126.4-179.9-52.2169.7000108.1L85 L101 V104 V114 V115 L116 V117 C217L85-I87 HydrophobicContact CG-CG1 4.23Å; I87-L101 HydrophobicContact CD1-CD2 3.8Å; I87-V104 HydrophobicContact CD1-CG2 3.89Å; I87-V114 HydrophobicContact CD1-CG1 3.89Å; I87-V115 PolarHBondContact N-O 2.85Å; I87-L116 HydrophobicContact CB-CD1 3.79Å; I87-L116 HydrophobicContact CG2-CD1 3.66Å; I87-V117 PolarHBondContact O-N 2.85Å; I87-C217 WeakPolarHBondContact CA-O 3.15Å; I87-C217 HydrophobicContact CG1-CB 4.33Å
88A95.6Very high91.3Very high13 Ų1350.5 Ų50.511%0.10724%0.235CC..EExtended strand (participates in β ladder)trans-102.7128.3175.700000110.2K196 V199 C217 S219A88-K196 HydrophobicContact CB-CG 4.39Å; A88-V199 HydrophobicContact CB-CB 4.28Å; A88-V199 HydrophobicContact CB-CG1 3.51Å; A88-C217 PolarHBondContact N-O 3.48Å; A88-S219 VanDerWaalsContact O-CB 3.24Å; A88-S219 WeakPolarHBondContact O-CB 3.47Å; A88-S219 PolarHBondContact O-N 3.49Å; A88-S219 PolarHBondContact O-OG 2.68Å
89A95.2Very high93.1Very high3 Ų345.3 Ų45.33%0.02521%0.21CC..EExtended strand (participates in β ladder)trans-134141.5-178.400000112.7E92 L116 V117 V118 D119 M128A89-E92 HydrophobicContact CB-CG 4Å; A89-L116 HydrophobicContact CB-CD1 3.88Å; A89-V117 PolarHBondContact N-O 2.97Å; A89-V118 WeakPolarHBondContact O-CA 3.36Å; A89-D119 PolarHBondContact O-N 3.48Å; A89-M128 HydrophobicContact CB-SD 4.06Å
90Y92.8Very high94.3Very high72 Ų7243.6 Ų43.628%0.28220%0.201SC..SBendtrans-151.6116.7170.4179.5-115.6000112.1E92 D119 W193Y90-E92 PolarHBondContact N-OE1 3.42Å; Y90-E92 PolarHBondContact O-N 3.02Å; Y90-E92 VanDerWaalsContact O-N 3.17Å; Y90-D119 HydrophobicContact CD2-CB 3.78Å; Y90-D119 WeakPolarHBondContact CD2-O 3.48Å; Y90-D119 WeakPolarHBondContact CE2-O 3.37Å; Y90-D119 HydrophobicContact CG-CB 4.11Å; Y90-W193 AromaticContact CD2-CD1 3.99Å; Y90-W193 AromaticContact CE1-NE1 3.88Å; Y90-W193 AromaticContact CE2-CD1 3.4Å; Y90-W193 HydrophobicContact CE2-CG 4.49Å; Y90-W193 AromaticContact CE2-NE1 3.87Å; Y90-W193 AromaticContact CZ-CD1 3.55Å; Y90-W193 AromaticContact CZ-NE1 3.56Å
91Q90.5Very high95Very high14 Ų1432.3 Ų32.37%0.06516%0.158CC..SBendtrans44.848.2178.4-64-169.10.800113.1Y127 R474 R475Q91-Y127 VanDerWaalsContact C-OH 3.29Å; Q91-Y127 WeakPolarHBondContact CA-OH 3.41Å; Q91-R474 PolarHBondContact O-N 3.42Å; Q91-R475 HydrophobicContact CB-CB 4.4Å; Q91-R475 PolarHBondContact O-N 3.42Å
92E90.5Very high95.2Very high20 Ų2033.9 Ų33.99%0.09316%0.164CC..  trans-75.7157.3-176.3-56.2-59.1169.400112.2A89 Y90 L97 Y127 M128 S219 R474A89-E92 HydrophobicContact CB-CG 4Å; Y90-E92 PolarHBondContact N-OE1 3.42Å; Y90-E92 PolarHBondContact O-N 3.02Å; Y90-E92 VanDerWaalsContact O-N 3.17Å; E92-L97 HydrophobicContact CB-CB 4.39Å; E92-Y127 PolarHBondContact N-OH 2.9Å; E92-Y127 PolarHBondContact O-OH 3.28Å; E92-M128 HydrophobicContact CG-SD 4.31Å; E92-S219 WeakPolarHBondContact CG-OG 3.44Å; E92-S219 PolarHBondContact OE1-OG 2.92Å; E92-R474 WeakPolarHBondContact OE2-CD 3.45Å; E92-R474 IonicContact OE2-NE 3.37Å; E92-R474 PolarHBondContact OE2-NE 3.5Å; E92-R474 VanDerWaalsContact OE2-NE 3.08Å
93D91.5Very high95.3Very high58 Ų5831.8 Ų31.831%0.3115%0.15SC..  trans-64.4126164.9179.6-77.2000109.8D95 Y96 L97D93-D95 VanDerWaalsContact C-N 3.27Å; D93-D95 PolarHBondContact O-N 2.94Å; D93-D95 WeakPolarHBondContact OD1-CA 3.34Å; D93-D95 WeakPolarHBondContact OD1-CB 3.24Å; D93-D95 PolarHBondContact OD1-N 3.31Å; D93-Y96 HydrophobicContact CB-CD2 3.73Å; D93-Y96 PolarHBondContact O-N 3.47Å; D93-Y96 PolarHBondContact OD1-N 2.94Å; D93-Y96 VanDerWaalsContact OD1-N 3.1Å; D93-L97 PolarHBondContact O-N 3.44Å
94P93.4Very high95.2Very high61 Ų6131.9 Ų31.940%0.39615%0.15SC..Hα-helixtrans-57.3-35.4-177-27.435.4000114.5R98 Y127 I131P94-R98 VanDerWaalsContact O-CB 3.24Å; P94-R98 WeakPolarHBondContact O-CB 3.41Å; P94-R98 PolarHBondContact O-N 3.31Å; P94-Y127 HydrophobicContact CG-CD2 4.19Å; P94-Y127 HydrophobicContact CG-CE2 3.94Å; P94-I131 HydrophobicContact CB-CD1 3.94Å
95D92.3Very high95Very high107 Ų10738.6 Ų38.657%0.57218%0.176SC*.Hα-helixtrans-74.1-42.2-176.9-68.8-34.3000111D93 R98 K99D93-D95 VanDerWaalsContact C-N 3.27Å; D93-D95 PolarHBondContact O-N 2.94Å; D93-D95 WeakPolarHBondContact OD1-CA 3.34Å; D93-D95 WeakPolarHBondContact OD1-CB 3.24Å; D93-D95 PolarHBondContact OD1-N 3.31Å; D95-R98 PolarHBondContact O-N 3.45Å; D95-K99 WeakPolarHBondContact O-CB 3.18Å; D95-K99 VanDerWaalsContact O-CG 3.25Å; D95-K99 WeakPolarHBondContact O-CG 3.43Å; D95-K99 PolarHBondContact O-N 2.95Å
96Y92.3Very high94.7Very high34 Ų3442.9 Ų42.913%0.13319%0.192CC..Hα-helixtrans-63.8-43.7173.9-75.9-66.8000111.8D93 R98 K99 C100 L251 E345D93-Y96 HydrophobicContact CB-CD2 3.73Å; D93-Y96 PolarHBondContact O-N 3.47Å; D93-Y96 PolarHBondContact OD1-N 2.94Å; D93-Y96 VanDerWaalsContact OD1-N 3.1Å; Y96-R98 PolarHBondContact O-N 3.24Å; Y96-K99 PolarHBondContact O-N 3.31Å; Y96-C100 WeakPolarHBondContact O-CB 3.29Å; Y96-C100 PolarHBondContact O-N 2.8Å; Y96-L251 HydrophobicContact CD1-CD2 3.85Å; Y96-L251 HydrophobicContact CE1-CD2 3.63Å; Y96-L251 HydrophobicContact CE1-CG 4.42Å; Y96-E345 HydrophobicContact CD1-CB 4.35Å; Y96-E345 HydrophobicContact CE1-CB 4.05Å; Y96-E345 HydrophobicContact CE1-CG 3.99Å; Y96-E345 HydrophobicContact CE2-CG 3.96Å
97L95.8Very high94.5Very high0 Ų043.4 Ų43.40%019%0.194CC..Hα-helixtrans-61.3-44.4176.5179.161.4000111.5E92 D93 K99 C100 L101 M128 I131E92-L97 HydrophobicContact CB-CB 4.39Å; D93-L97 PolarHBondContact O-N 3.44Å; L97-K99 PolarHBondContact O-N 3.07Å; L97-C100 WeakPolarHBondContact O-CB 3.28Å; L97-C100 PolarHBondContact O-N 2.68Å; L97-L101 HydrophobicContact CD1-CD1 4.01Å; L97-L101 HydrophobicContact CD1-CG 4.11Å; L97-L101 HydrophobicContact CG-CD1 4.03Å; L97-L101 HydrophobicContact CG-CG 4.48Å; L97-L101 WeakPolarHBondContact O-CG 3.46Å; L97-L101 PolarHBondContact O-N 2.83Å; L97-M128 HydrophobicContact CD2-CB 3.8Å; L97-M128 HydrophobicContact CD2-CG 3.73Å; L97-I131 HydrophobicContact CD2-CB 4.49Å; L97-I131 HydrophobicContact CD2-CD1 4.29Å; L97-I131 HydrophobicContact CD2-CG2 4.46Å; L97-I131 HydrophobicContact CG-CG2 4.39Å
98R96.5Very high94.1Very high51 Ų5147.2 Ų47.219%0.19222%0.221CC..Hα-helixtrans-63.7-41.2177.9-174.2-179.7-79.6-87.58.3111.7P94 D95 Y96 R102 I131 E134 V135P94-R98 VanDerWaalsContact O-CB 3.24Å; P94-R98 WeakPolarHBondContact O-CB 3.41Å; P94-R98 PolarHBondContact O-N 3.31Å; D95-R98 PolarHBondContact O-N 3.45Å; Y96-R98 PolarHBondContact O-N 3.24Å; R98-R102 WeakPolarHBondContact O-CB 3.25Å; R98-R102 VanDerWaalsContact O-CG 3.26Å; R98-R102 WeakPolarHBondContact O-CG 3.42Å; R98-R102 PolarHBondContact O-N 2.77Å; R98-I131 HydrophobicContact CB-CG2 4.15Å; R98-E134 IonicContact CZ-OE1 2.89Å; R98-E134 IonicContact CZ-OE2 3.72Å; R98-E134 VanDerWaalsContact NH1-CD 3.3Å; R98-E134 IonicContact NH1-OE1 3.51Å; R98-E134 PolarHBondContact NH1-OE1 3.33Å; R98-E134 IonicContact NH1-OE2 3.7Å; R98-E134 PolarHBondContact NH1-OE2 2.69Å; R98-E134 VanDerWaalsContact NH2-CD 3.29Å; R98-E134 IonicContact NH2-OE1 3.66Å; R98-E134 PolarHBondContact NH2-OE1 3.18Å; R98-E134 IonicContact NH2-OE2 2.68Å; R98-E134 PolarHBondContact NH2-OE2 3.16Å; R98-V135 HydrophobicContact CG-CG2 4.3Å
99K95.6Very high93.9Very high83 Ų8347.1 Ų47.136%0.36122%0.218SC..Hα-helixtrans-61.7-45.3173.9-75.1169.5-178.2169.50111.5D95 Y96 L97 S103 V222D95-K99 WeakPolarHBondContact O-CB 3.18Å; D95-K99 VanDerWaalsContact O-CG 3.25Å; D95-K99 WeakPolarHBondContact O-CG 3.43Å; D95-K99 PolarHBondContact O-N 2.95Å; Y96-K99 PolarHBondContact O-N 3.31Å; L97-K99 PolarHBondContact O-N 3.07Å; K99-S103 WeakPolarHBondContact O-CB 3.23Å; K99-S103 PolarHBondContact O-N 3.36Å; K99-V222 HydrophobicContact CB-CG2 3.9Å
100C97.1Very high93.5Very high0 Ų052.6 Ų52.60%025%0.253CS..Hα-helixtrans-55.6-57.5174.5172.20000110.6Y96 L97 R102 S103 V104 S219 T221Y96-C100 WeakPolarHBondContact O-CB 3.29Å; Y96-C100 PolarHBondContact O-N 2.8Å; L97-C100 WeakPolarHBondContact O-CB 3.28Å; L97-C100 PolarHBondContact O-N 2.68Å; C100-R102 PolarHBondContact O-N 2.78Å; C100-S103 WeakPolarHBondContact O-CA 3.38Å; C100-S103 WeakPolarHBondContact O-CB 3.45Å; C100-S103 PolarHBondContact O-N 2.77Å; C100-S103 PolarHBondContact O-OG 3.24Å; C100-V104 WeakPolarHBondContact O-CG2 3.42Å; C100-V104 PolarHBondContact O-N 2.88Å; C100-S219 WeakPolarHBondContact CB-O 3.37Å; C100-T221 WeakPolarHBondContact CA-O 3.35Å; C100-T221 WeakPolarHBondContact CB-O 3.41Å; C100-T221 PolarHBondContact SG-O 3.47Å
101L97.4Very high93.1Very high0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-64.3-36.4-176.1-65.4175.5000113.4I87 L97 S103 V104 R105 I131 F132 V135 M136I87-L101 HydrophobicContact CD1-CD2 3.8Å; L97-L101 HydrophobicContact CD1-CD1 4.01Å; L97-L101 HydrophobicContact CD1-CG 4.11Å; L97-L101 HydrophobicContact CG-CD1 4.03Å; L97-L101 HydrophobicContact CG-CG 4.48Å; L97-L101 WeakPolarHBondContact O-CG 3.46Å; L97-L101 PolarHBondContact O-N 2.83Å; L101-S103 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 3.25Å; L101-V104 WeakPolarHBondContact O-CB 3.33Å; L101-V104 PolarHBondContact O-N 3.01Å; L101-R105 PolarHBondContact O-N 2.84Å; L101-I131 HydrophobicContact CD1-CG2 4.03Å; L101-F132 HydrophobicContact CD1-CB 4.14Å; L101-F132 HydrophobicContact CD1-CD2 4.13Å; L101-F132 HydrophobicContact CD2-CD2 3.81Å; L101-F132 HydrophobicContact CD2-CE2 4.27Å; L101-V135 HydrophobicContact CB-CB 4.13Å; L101-V135 HydrophobicContact CB-CG1 3.74Å; L101-V135 HydrophobicContact CB-CG2 4.36Å; L101-M136 HydrophobicContact CB-CE 4.14Å; L101-M136 HydrophobicContact CD2-CE 3.83Å
102R96.4Very high93.4Very high138 Ų13851.6 Ų51.652%0.52127%0.267SS..Hα-helixtrans-63.6-38.7173.1-76.8176.1173.6167.4-1111.6R98 C100 R105 R106 V135R98-R102 WeakPolarHBondContact O-CB 3.25Å; R98-R102 VanDerWaalsContact O-CG 3.26Å; R98-R102 WeakPolarHBondContact O-CG 3.42Å; R98-R102 PolarHBondContact O-N 2.77Å; C100-R102 PolarHBondContact O-N 2.78Å; R102-R105 PolarHBondContact O-N 3.44Å; R102-R106 WeakPolarHBondContact O-CG 3.27Å; R102-R106 PolarHBondContact O-N 3.08Å; R102-V135 HydrophobicContact CG-CG1 4.05Å; R102-V135 HydrophobicContact CG-CG2 4.43Å
103S96.8Very high93.7Very high1 Ų152 Ų521%0.00727%0.269CS..Hα-helixtrans-66.1-39.8175.280.10000112.3K99 C100 L101 R105 R106 I107 L223K99-S103 WeakPolarHBondContact O-CB 3.23Å; K99-S103 PolarHBondContact O-N 3.36Å; C100-S103 WeakPolarHBondContact O-CA 3.38Å; C100-S103 WeakPolarHBondContact O-CB 3.45Å; C100-S103 PolarHBondContact O-N 2.77Å; C100-S103 PolarHBondContact O-OG 3.24Å; L101-S103 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 3.25Å; S103-R105 VanDerWaalsContact C-N 3.33Å; S103-R105 PolarHBondContact O-N 3.39Å; S103-R106 PolarHBondContact O-N 2.75Å; S103-I107 PolarHBondContact O-N 3.3Å; S103-L223 PolarHBondContact OG-N 2.93Å
104V96.4Very high94Very high4 Ų449.3 Ų49.32%0.02426%0.255CS..Hα-helixtrans-59.5-43.3175.8171.50000111.6L85 I87 C100 L101 R106 I107 V114 M136 L223L85-V104 HydrophobicContact CD2-CB 4.28Å; L85-V104 HydrophobicContact CD2-CG1 3.66Å; L85-V104 HydrophobicContact CD2-CG2 3.71Å; I87-V104 HydrophobicContact CD1-CG2 3.89Å; C100-V104 WeakPolarHBondContact O-CG2 3.42Å; C100-V104 PolarHBondContact O-N 2.88Å; L101-V104 WeakPolarHBondContact O-CB 3.33Å; L101-V104 PolarHBondContact O-N 3.01Å; V104-R106 PolarHBondContact O-N 3.42Å; V104-I107 HydrophobicContact CG1-CD1 4.43Å; V104-I107 WeakPolarHBondContact O-CB 3.33Å; V104-I107 WeakPolarHBondContact O-CG1 3.05Å; V104-I107 PolarHBondContact O-N 3.05Å; V104-I107 VanDerWaalsContact O-N 3.13Å; V104-V114 HydrophobicContact CG1-CB 4.41Å; V104-V114 HydrophobicContact CG1-CG1 3.86Å; V104-V114 HydrophobicContact CG1-CG2 3.62Å; V104-M136 HydrophobicContact CB-CE 4.23Å; V104-M136 HydrophobicContact CG1-CE 3.94Å; V104-L223 HydrophobicContact CG2-CD1 3.99Å
105R93.1Very high94.2Very high141 Ų14146.4 Ų46.453%0.53224%0.236SC..Hα-helixtrans-62.9-22.7177.9-172168.8176.6-179.5-2.7113.2L101 R102 S103 V135L101-R105 PolarHBondContact O-N 2.84Å; R102-R105 PolarHBondContact O-N 3.44Å; S103-R105 VanDerWaalsContact C-N 3.33Å; S103-R105 PolarHBondContact O-N 3.39Å; R105-V135 VanDerWaalsContact CD-O 3.24Å; R105-V135 WeakPolarHBondContact CD-O 3.48Å; R105-V135 PolarHBondContact NH1-O 3.23Å
106R93.4Very high94.5Very high89 Ų8941.3 Ų41.334%0.33621%0.208SC..THydrogen-bonded Turntrans-91.7-2178.8-64.8-178-60.2166.814.5113.7R102 S103 V104 S108 Y555 A556R102-R106 WeakPolarHBondContact O-CG 3.27Å; R102-R106 PolarHBondContact O-N 3.08Å; S103-R106 PolarHBondContact O-N 2.75Å; V104-R106 PolarHBondContact O-N 3.42Å; R106-S108 PolarHBondContact O-N 3.4Å; R106-Y555 PolarHBondContact NH1-O 3.39Å; R106-Y555 PolarHBondContact NH2-O 2.98Å; R106-A556 PolarHBondContact NH1-O 3.34Å
107I94.6Very high94.7Very high18 Ų1839.8 Ų39.89%0.09220%0.202CC..  trans-59.7124.9177.5-67.5172000109.6L85 S103 V104 F109 L112 L223 T228L85-I107 HydrophobicContact CD2-CD1 3.88Å; S103-I107 PolarHBondContact O-N 3.3Å; V104-I107 HydrophobicContact CG1-CD1 4.43Å; V104-I107 WeakPolarHBondContact O-CB 3.33Å; V104-I107 WeakPolarHBondContact O-CG1 3.05Å; V104-I107 PolarHBondContact O-N 3.05Å; V104-I107 VanDerWaalsContact O-N 3.13Å; I107-F109 HydrophobicContact CG2-CB 3.77Å; I107-F109 PolarHBondContact O-N 3.06Å; I107-L112 HydrophobicContact CB-CD2 3.97Å; I107-L112 HydrophobicContact CD1-CD2 3.79Å; I107-L112 HydrophobicContact CG1-CD2 4.5Å; I107-L112 HydrophobicContact CG2-CD2 3.81Å; I107-L223 HydrophobicContact CD1-CB 4.46Å; I107-L223 HydrophobicContact CD1-CD1 3.82Å; I107-T228 WeakPolarHBondContact CG2-OG1 3.31Å
108S89.3Confident94.8Very high84 Ų8439.8 Ų39.859%0.58720%0.202SC*.  trans-82.160.2179.8-63.40000110.6R106 P225R106-S108 PolarHBondContact O-N 3.4Å; S108-P225 PolarHBondContact N-O 2.94Å
109F91.7Very high94.6Very high12 Ų1237.6 Ų37.65%0.05320%0.195CC..  trans-134.1109.2177.6-165.1-89.1000110.9R81 V83 I107 G111 L112 T228 I229 L232R81-F109 WeakPolarHBondContact O-CZ 3.31Å; V83-F109 HydrophobicContact CB-CD1 4.42Å; V83-F109 HydrophobicContact CB-CE1 3.9Å; V83-F109 HydrophobicContact CB-CZ 4.3Å; V83-F109 HydrophobicContact CG2-CD1 4.4Å; V83-F109 HydrophobicContact CG2-CE1 3.57Å; V83-F109 HydrophobicContact CG2-CE2 4.22Å; V83-F109 HydrophobicContact CG2-CZ 3.46Å; V83-F109 VanDerWaalsContact CG2-CZ 3.46Å; I107-F109 HydrophobicContact CG2-CB 3.77Å; I107-F109 PolarHBondContact O-N 3.06Å; F109-G111 PolarHBondContact O-N 2.93Å; F109-L112 HydrophobicContact CB-CB 4.34Å; F109-L112 HydrophobicContact CD1-CB 4.05Å; F109-L112 HydrophobicContact CD1-CD1 4.32Å; F109-L112 PolarHBondContact O-N 3.45Å; F109-T228 HydrophobicContact CB-CG2 4.03Å; F109-T228 HydrophobicContact CD1-CG2 4.25Å; F109-T228 HydrophobicContact CD2-CG2 3.69Å; F109-T228 HydrophobicContact CE2-CG2 4.23Å; F109-T228 HydrophobicContact CG-CG2 3.7Å; F109-I229 HydrophobicContact CD2-CB 4.3Å; F109-I229 HydrophobicContact CD2-CD1 4.04Å; F109-I229 HydrophobicContact CE2-CD1 3.87Å; F109-L232 HydrophobicContact CE2-CD2 3.52Å; F109-L232 HydrophobicContact CZ-CD2 3.77Å
110P86.1Confident94.5Very high117 Ų11733.7 Ų33.776%0.7618%0.178SC*.THydrogen-bonded Turntrans-59.2133.9179.9-24.234000112L112P110-L112 PolarHBondContact O-N 3.2Å
111G85.3Confident94.2Very high59 Ų5935.9 Ų35.961%0.60819%0.19SC*.THydrogen-bonded Turntrans69.515.5175.800000115.1F109 K113F109-G111 PolarHBondContact O-N 2.93Å; G111-K113 PolarHBondContact O-N 3.18Å
112L94.9Very high94Very high6 Ų643.6 Ų43.63%0.03122%0.219CC..  trans-55.9124.6172.8-175.466.3000110.3V83 L85 I107 F109 P110 V114 R185 T228V83-L112 HydrophobicContact CB-CD1 3.95Å; V83-L112 HydrophobicContact CG1-CD1 3.87Å; L85-L112 HydrophobicContact CB-CD1 4.23Å; L85-L112 HydrophobicContact CB-CD2 4.44Å; I107-L112 HydrophobicContact CB-CD2 3.97Å; I107-L112 HydrophobicContact CD1-CD2 3.79Å; I107-L112 HydrophobicContact CG1-CD2 4.5Å; I107-L112 HydrophobicContact CG2-CD2 3.81Å; F109-L112 HydrophobicContact CB-CB 4.34Å; F109-L112 HydrophobicContact CD1-CB 4.05Å; F109-L112 HydrophobicContact CD1-CD1 4.32Å; F109-L112 PolarHBondContact O-N 3.45Å; P110-L112 PolarHBondContact O-N 3.2Å; L112-V114 HydrophobicContact CD2-CG2 4.47Å; L112-V114 HydrophobicContact CG-CG2 4.45Å; L112-R185 WeakPolarHBondContact O-CG 3.27Å; L112-R185 PolarHBondContact O-NE 3.22Å; L112-T228 HydrophobicContact CD1-CG2 4.26Å
113K96.9Very high93.7Very high28 Ų2842.8 Ų42.812%0.12223%0.232CC..EExtended strand (participates in β ladder)trans-88.9136.8170.5179.5172.3-71.8-161.60109.4V83 A84 L85 G111 V115 V181 K182 R184 R185 L207V83-K113 PolarHBondContact O-N 2.93Å; V83-K113 VanDerWaalsContact O-N 3.1Å; A84-K113 CarbonylContact C-O 3.52Å; A84-K113 WeakPolarHBondContact CA-O 3.5Å; A84-K113 HydrophobicContact CB-CB 4.26Å; A84-K113 HydrophobicContact CB-CG 4.47Å; L85-K113 PolarHBondContact N-O 2.97Å; G111-K113 PolarHBondContact O-N 3.18Å; K113-V115 HydrophobicContact CG-CG2 4.26Å; K113-V181 WeakPolarHBondContact CD-O 3.36Å; K113-V181 WeakPolarHBondContact CE-O 3.24Å; K113-V181 PolarHBondContact NZ-O 3.03Å; K113-K182 VanDerWaalsContact NZ-C 3.33Å; K113-K182 PolarHBondContact NZ-O 3.49Å; K113-R184 VanDerWaalsContact CE-O 3.3Å; K113-R184 WeakPolarHBondContact CE-O 3.5Å; K113-R185 CarbonylContact C-O 3.54Å; K113-R185 WeakPolarHBondContact CA-O 3.46Å; K113-L207 HydrophobicContact CD-CD2 3.9Å
114V98.1Very high93.5Very high3 Ų346.1 Ų46.12%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-121.2126.3179.1-172.90000109.4L85 I87 V104 L112 F132 M136 R185 Y186 S187L85-V114 WeakPolarHBondContact O-CA 3.23Å; I87-V114 HydrophobicContact CD1-CG1 3.89Å; V104-V114 HydrophobicContact CG1-CB 4.41Å; V104-V114 HydrophobicContact CG1-CG1 3.86Å; V104-V114 HydrophobicContact CG1-CG2 3.62Å; L112-V114 HydrophobicContact CD2-CG2 4.47Å; L112-V114 HydrophobicContact CG-CG2 4.45Å; V114-F132 HydrophobicContact CG1-CE2 4.21Å; V114-M136 HydrophobicContact CG1-CE 4.24Å; V114-R185 PolarHBondContact N-O 3.23Å; V114-Y186 HydrophobicContact CB-CD1 3.89Å; V114-Y186 HydrophobicContact CG2-CD1 3.84Å; V114-Y186 HydrophobicContact CG2-CE1 3.95Å; V114-Y186 WeakPolarHBondContact O-CA 3.36Å; V114-S187 PolarHBondContact O-N 3.45Å
115V98.4Very high93.3Very high0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-124107179.7-172.40000108.3L85 C86 I87 K113 V117 V181 S187 A203 L207L85-V115 PolarHBondContact O-N 2.88Å; C86-V115 CarbonylContact C-O 3.09Å; C86-V115 WeakPolarHBondContact CA-O 3.31Å; I87-V115 PolarHBondContact N-O 2.85Å; K113-V115 HydrophobicContact CG-CG2 4.26Å; V115-V117 HydrophobicContact CG1-CG2 3.99Å; V115-V181 HydrophobicContact CG1-CG1 4.37Å; V115-V181 HydrophobicContact CG1-CG2 4.04Å; V115-V181 HydrophobicContact CG2-CG1 3.83Å; V115-S187 CarbonylContact C-O 3.56Å; V115-S187 WeakPolarHBondContact CA-O 3.44Å; V115-A203 HydrophobicContact CG1-CB 4.26Å; V115-L207 HydrophobicContact CG2-CD2 4.32Å
116L98.2Very high93.3Very high0 Ų046.5 Ų46.50%025%0.248CC..EExtended strand (participates in β ladder)trans-90.9126.3168.3177.265.8000108.6I87 A89 V118 F132 S187 C188 V189I87-L116 HydrophobicContact CB-CD1 3.79Å; I87-L116 HydrophobicContact CG2-CD1 3.66Å; A89-L116 HydrophobicContact CB-CD1 3.88Å; L116-V118 HydrophobicContact CD2-CG2 4.19Å; L116-V118 HydrophobicContact CG-CG2 4.12Å; L116-F132 HydrophobicContact CB-CD2 3.68Å; L116-F132 HydrophobicContact CB-CE2 3.66Å; L116-F132 HydrophobicContact CB-CG 4.42Å; L116-F132 HydrophobicContact CB-CZ 4.38Å; L116-F132 HydrophobicContact CD2-CB 3.72Å; L116-F132 HydrophobicContact CD2-CD2 3.56Å; L116-F132 HydrophobicContact CD2-CE2 4.41Å; L116-F132 HydrophobicContact CD2-CG 3.86Å; L116-F132 HydrophobicContact CG-CD2 4.26Å; L116-S187 PolarHBondContact N-O 2.84Å; L116-C188 HydrophobicContact CB-CB 4.45Å; L116-C188 CarbonylContact O-C 3.58Å; L116-C188 VanDerWaalsContact O-CA 3.27Å; L116-C188 WeakPolarHBondContact O-CA 3.46Å; L116-V189 PolarHBondContact O-N 2.73Å
117V97.6Very high93.4Very high1 Ų144.2 Ų44.21%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-117.5127.6169.6-173.70000108.5I87 A89 V115 V189 Q191 V199 T202 A203I87-V117 PolarHBondContact O-N 2.85Å; A89-V117 PolarHBondContact N-O 2.97Å; V115-V117 HydrophobicContact CG1-CG2 3.99Å; V117-V189 CarbonylContact C-O 3.48Å; V117-V189 VanDerWaalsContact CA-O 3.3Å; V117-V189 WeakPolarHBondContact CA-O 3.46Å; V117-V189 HydrophobicContact CG1-CB 4.47Å; V117-V189 HydrophobicContact CG2-CB 4.37Å; V117-Q191 HydrophobicContact CG1-CG 4.25Å; V117-V199 HydrophobicContact CB-CG1 3.49Å; V117-V199 VanDerWaalsContact CB-CG1 3.49Å; V117-V199 HydrophobicContact CG1-CB 4.28Å; V117-V199 HydrophobicContact CG1-CG1 3.69Å; V117-V199 WeakPolarHBondContact O-CG1 3.44Å; V117-T202 HydrophobicContact CG1-CG2 4.05Å; V117-T202 HydrophobicContact CG2-CG2 4.37Å; V117-A203 HydrophobicContact CG2-CB 3.92Å
118V96.6Very high93.5Very high0 Ų043.3 Ų43.30%024%0.236CC..EExtended strand (participates in β ladder)trans-106.3122.5-176.7178.70000108.8A89 L116 G120 M128 V189 M190 Q191A89-V118 WeakPolarHBondContact O-CA 3.36Å; L116-V118 HydrophobicContact CD2-CG2 4.19Å; L116-V118 HydrophobicContact CG-CG2 4.12Å; V118-G120 PolarHBondContact O-N 2.78Å; V118-M128 HydrophobicContact CG1-CB 4.43Å; V118-M128 HydrophobicContact CG1-CE 3.31Å; V118-M128 HydrophobicContact CG1-SD 3.95Å; V118-M128 HydrophobicContact CG2-CB 4.07Å; V118-V189 PolarHBondContact N-O 2.96Å; V118-M190 HydrophobicContact CB-CB 4.46Å; V118-M190 HydrophobicContact CB-CG 3.79Å; V118-M190 HydrophobicContact CG1-CG 4.12Å; V118-M190 HydrophobicContact CG2-CG 4.18Å; V118-Q191 WeakPolarHBondContact O-CG 3.49Å; V118-Q191 PolarHBondContact O-N 3.39Å
119D93.6Very high93.8Very high5 Ų539.9 Ų39.93%0.02721%0.21CC..SBendtrans-77.145.5-178.4-156.119.7000113.1A89 Y90 W193 G194 G195 V199A89-D119 PolarHBondContact O-N 3.48Å; Y90-D119 HydrophobicContact CD2-CB 3.78Å; Y90-D119 WeakPolarHBondContact CD2-O 3.48Å; Y90-D119 WeakPolarHBondContact CE2-O 3.37Å; Y90-D119 HydrophobicContact CG-CB 4.11Å; D119-W193 WeakPolarHBondContact OD1-CA 3.29Å; D119-G194 PolarHBondContact OD1-N 2.93Å; D119-G195 PolarHBondContact OD1-N 3.47Å; D119-G195 VanDerWaalsContact OD2-C 3.3Å; D119-G195 WeakPolarHBondContact OD2-CA 3.28Å; D119-G195 PolarHBondContact OD2-N 3.1Å; D119-V199 HydrophobicContact CB-CG2 3.37Å; D119-V199 VanDerWaalsContact CG-CG2 3.47Å
120G92.1Very high94Very high2 Ų242.7 Ų42.72%0.02123%0.226CC..  trans-178.1133.2-175.800000110.7V118 D125 M190 Q191V118-G120 PolarHBondContact O-N 2.78Å; G120-D125 WeakPolarHBondContact CA-OD2 3.23Å; G120-M190 WeakPolarHBondContact O-CB 3.48Å; G120-M190 WeakPolarHBondContact O-CE 3.47Å; G120-Q191 CarbonylContact C-O 3.52Å; G120-Q191 VanDerWaalsContact CA-O 3.26Å; G120-Q191 WeakPolarHBondContact CA-O 3.36Å; G120-Q191 PolarHBondContact N-O 3.34Å; G120-Q191 VanDerWaalsContact N-O 3.15Å
121N91.5Very high94.5Very high46 Ų4637.8 Ų37.825%0.24619%0.193CC..  trans-119.717.2-178.662.13.5000112.4V146 W147 M190 Q191N121-V146 HydrophobicContact CB-CG1 3.94Å; N121-W147 PolarHBondContact ND2-O 3.21Å; N121-M190 HydrophobicContact CB-CB 4.46Å; N121-Q191 WeakPolarHBondContact CB-O 3.36Å; N121-Q191 PolarHBondContact N-O 3.2Å; N121-Q191 VanDerWaalsContact N-O 3.08Å
122R92.3Very high95.1Very high161 Ų16135 Ų3561%0.60816%0.164SC*.SBendtrans-83.3159.4178-63.6180178.2-176.3-1.2110.7E124 D125R122-E124 HydrophobicContact CB-CG 3.85Å; R122-E124 IonicContact NH1-OE1 3.19Å; R122-E124 PolarHBondContact O-N 2.82Å; R122-E124 VanDerWaalsContact O-N 3.15Å; R122-D125 PolarHBondContact N-OD2 2.96Å; R122-D125 PolarHBondContact O-N 3.02Å
123P91.3Very high95.1Very high121 Ų12137.1 Ų37.179%0.78617%0.174SC*.G310 helixtrans-54.8-33.1175.1-26.935.4000113.5D125 R126P123-D125 PolarHBondContact O-N 2.71Å; P123-R126 WeakPolarHBondContact O-CB 3.49Å; P123-R126 PolarHBondContact O-N 3.36Å
124E91.2Very high95Very high71 Ų7141.2 Ų41.233%0.33219%0.194SC..G310 helixtrans-66.4-20.717860.9-177.4-173.500114.2R122 Y127 R475R122-E124 HydrophobicContact CB-CG 3.85Å; R122-E124 IonicContact NH1-OE1 3.19Å; R122-E124 PolarHBondContact O-N 2.82Å; R122-E124 VanDerWaalsContact O-N 3.15Å; E124-Y127 WeakPolarHBondContact O-CD1 3.44Å; E124-Y127 WeakPolarHBondContact O-CE1 3.13Å; E124-R475 PolarHBondContact O-NH1 2.92Å
125D92.5Very high94.8Very high4 Ų441.5 Ų41.52%0.02120%0.195CC..G310 helixtrans-93-12.8-179.7-57.6-49000112.5G120 R122 P123 Y127 M128 M190G120-D125 WeakPolarHBondContact CA-OD2 3.23Å; R122-D125 PolarHBondContact N-OD2 2.96Å; R122-D125 PolarHBondContact O-N 3.02Å; P123-D125 PolarHBondContact O-N 2.71Å; D125-Y127 PolarHBondContact O-N 2.74Å; D125-M128 HydrophobicContact CB-CE 3.74Å; D125-M128 WeakPolarHBondContact O-CE 3.37Å; D125-M128 PolarHBondContact O-N 2.87Å; D125-M128 VanDerWaalsContact O-N 3.14Å; D125-M190 HydrophobicContact CB-CE 3.79Å
126R94.3Very high94.6Very high149 Ų14941.5 Ų41.556%0.56220%0.195SC*.Hα-helixtrans-60.7-30.2-170.9-168.2170.1-178158.40.2114.1P123 M128 M129 D130 M190P123-R126 WeakPolarHBondContact O-CB 3.49Å; P123-R126 PolarHBondContact O-N 3.36Å; R126-M128 PolarHBondContact O-N 3.2Å; R126-M128 VanDerWaalsContact O-N 3.09Å; R126-M129 WeakPolarHBondContact O-CB 3.46Å; R126-M129 PolarHBondContact O-N 3.47Å; R126-D130 PolarHBondContact O-N 3.22Å; R126-M190 HydrophobicContact CB-CE 4.29Å
127Y95.6Very high93.9Very high41 Ų4142.9 Ų42.916%0.16121%0.209CC..Hα-helixtrans-54.2-31.5176.877.1-79.3000113.3Q91 E92 P94 E124 D125 M129 D130 I131Q91-Y127 VanDerWaalsContact C-OH 3.29Å; Q91-Y127 WeakPolarHBondContact CA-OH 3.41Å; E92-Y127 PolarHBondContact N-OH 2.9Å; E92-Y127 PolarHBondContact O-OH 3.28Å; P94-Y127 HydrophobicContact CG-CD2 4.19Å; P94-Y127 HydrophobicContact CG-CE2 3.94Å; E124-Y127 WeakPolarHBondContact O-CD1 3.44Å; E124-Y127 WeakPolarHBondContact O-CE1 3.13Å; D125-Y127 PolarHBondContact O-N 2.74Å; Y127-M129 VanDerWaalsContact C-N 3.35Å; Y127-D130 PolarHBondContact O-N 2.96Å; Y127-I131 HydrophobicContact CD2-CD1 3.84Å; Y127-I131 HydrophobicContact CE2-CD1 4.46Å; Y127-I131 WeakPolarHBondContact O-CB 3.42Å; Y127-I131 WeakPolarHBondContact O-CG1 3.49Å; Y127-I131 PolarHBondContact O-N 3.48Å
128M96.1Very high93.3Very high0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-67.3-38178.4-66.5-178-86.400111.6A89 E92 L97 V118 D125 R126 F132A89-M128 HydrophobicContact CB-SD 4.06Å; E92-M128 HydrophobicContact CG-SD 4.31Å; L97-M128 HydrophobicContact CD2-CB 3.8Å; L97-M128 HydrophobicContact CD2-CG 3.73Å; V118-M128 HydrophobicContact CG1-CB 4.43Å; V118-M128 HydrophobicContact CG1-CE 3.31Å; V118-M128 HydrophobicContact CG1-SD 3.95Å; V118-M128 HydrophobicContact CG2-CB 4.07Å; D125-M128 HydrophobicContact CB-CE 3.74Å; D125-M128 WeakPolarHBondContact O-CE 3.37Å; D125-M128 PolarHBondContact O-N 2.87Å; D125-M128 VanDerWaalsContact O-N 3.14Å; R126-M128 PolarHBondContact O-N 3.2Å; R126-M128 VanDerWaalsContact O-N 3.09Å; M128-F132 PolarHBondContact O-N 3.37Å; M128-F132 VanDerWaalsContact O-N 3.12Å
129M96.2Very high92.3Very high11 Ų1147.4 Ų47.45%0.05425%0.25CC..Hα-helixtrans-69.3-41.2173.7178179-76.900111.1R126 Y127 F132 Q133 C144 M145 V146 M190R126-M129 WeakPolarHBondContact O-CB 3.46Å; R126-M129 PolarHBondContact O-N 3.47Å; Y127-M129 VanDerWaalsContact C-N 3.35Å; M129-F132 WeakPolarHBondContact O-CB 3.49Å; M129-F132 PolarHBondContact O-N 3Å; M129-F132 VanDerWaalsContact O-N 3.16Å; M129-Q133 PolarHBondContact O-N 3.02Å; M129-C144 HydrophobicContact CE-CB 3.94Å; M129-C144 HydrophobicContact CG-CB 3.96Å; M129-C144 HydrophobicContact SD-CB 3.72Å; M129-M145 VanDerWaalsContact CE-O 3.31Å; M129-M145 WeakPolarHBondContact CE-O 3.28Å; M129-V146 HydrophobicContact CE-CG2 4.01Å; M129-V146 HydrophobicContact SD-CG2 4.29Å; M129-M190 HydrophobicContact CB-CG 4.43Å; M129-M190 HydrophobicContact CB-SD 3.72Å; M129-M190 HydrophobicContact CE-CB 4.08Å; M129-M190 HydrophobicContact CE-CG 3.57Å; M129-M190 HydrophobicContact CE-SD 3.45Å; M129-M190 WeakPolarHBondContact CE-SD 3.25Å; M129-M190 HydrophobicContact CG-SD 4.41Å; M129-M190 HydrophobicContact SD-SD 3.89Å
130D95.9Very high91.7Very high72 Ų7255.5 Ų55.539%0.38529%0.287SS..Hα-helixtrans-62.8-45.1179-57.6-30.1000110.9R126 Y127 F132 Q133 E134R126-D130 PolarHBondContact O-N 3.22Å; Y127-D130 PolarHBondContact O-N 2.96Å; D130-F132 VanDerWaalsContact C-N 3.29Å; D130-F132 PolarHBondContact O-N 2.93Å; D130-Q133 PolarHBondContact O-N 3.19Å; D130-E134 WeakPolarHBondContact O-CB 3.24Å; D130-E134 PolarHBondContact O-N 3.18Å
131I96.6Very high91.2Very high14 Ų1460.4 Ų60.47%0.07231%0.31CS..Hα-helixtrans-59.9-40.6173.7-67.2166000110.7P94 L97 R98 L101 Y127 E134 V135P94-I131 HydrophobicContact CB-CD1 3.94Å; L97-I131 HydrophobicContact CD2-CB 4.49Å; L97-I131 HydrophobicContact CD2-CD1 4.29Å; L97-I131 HydrophobicContact CD2-CG2 4.46Å; L97-I131 HydrophobicContact CG-CG2 4.39Å; R98-I131 HydrophobicContact CB-CG2 4.15Å; L101-I131 HydrophobicContact CD1-CG2 4.03Å; Y127-I131 HydrophobicContact CD2-CD1 3.84Å; Y127-I131 HydrophobicContact CE2-CD1 4.46Å; Y127-I131 WeakPolarHBondContact O-CB 3.42Å; Y127-I131 WeakPolarHBondContact O-CG1 3.49Å; Y127-I131 PolarHBondContact O-N 3.48Å; I131-E134 PolarHBondContact O-N 2.69Å; I131-V135 HydrophobicContact CG2-CG2 4.31Å; I131-V135 WeakPolarHBondContact O-CB 3.31Å; I131-V135 VanDerWaalsContact O-CG2 3.31Å; I131-V135 WeakPolarHBondContact O-CG2 3.42Å; I131-V135 PolarHBondContact O-N 2.88Å
132F97Very high91.1Very high0 Ų058.2 Ų58.20%030%0.298CS..Hα-helixtrans-62.6-47.6177.3-178.6-91000112.4L101 V114 L116 M128 M129 D130 E134 V135 M136 A142 S187 C188L101-F132 HydrophobicContact CD1-CB 4.14Å; L101-F132 HydrophobicContact CD1-CD2 4.13Å; L101-F132 HydrophobicContact CD2-CD2 3.81Å; L101-F132 HydrophobicContact CD2-CE2 4.27Å; V114-F132 HydrophobicContact CG1-CE2 4.21Å; L116-F132 HydrophobicContact CB-CD2 3.68Å; L116-F132 HydrophobicContact CB-CE2 3.66Å; L116-F132 HydrophobicContact CB-CG 4.42Å; L116-F132 HydrophobicContact CB-CZ 4.38Å; L116-F132 HydrophobicContact CD2-CB 3.72Å; L116-F132 HydrophobicContact CD2-CD2 3.56Å; L116-F132 HydrophobicContact CD2-CE2 4.41Å; L116-F132 HydrophobicContact CD2-CG 3.86Å; L116-F132 HydrophobicContact CG-CD2 4.26Å; M128-F132 PolarHBondContact O-N 3.37Å; M128-F132 VanDerWaalsContact O-N 3.12Å; M129-F132 WeakPolarHBondContact O-CB 3.49Å; M129-F132 PolarHBondContact O-N 3Å; M129-F132 VanDerWaalsContact O-N 3.16Å; D130-F132 VanDerWaalsContact C-N 3.29Å; D130-F132 PolarHBondContact O-N 2.93Å; F132-E134 VanDerWaalsContact C-N 3.33Å; F132-E134 PolarHBondContact O-N 2.69Å; F132-V135 PolarHBondContact O-N 3.04Å; F132-M136 HydrophobicContact CD1-CG 4.28Å; F132-M136 HydrophobicContact CD2-CE 4.45Å; F132-M136 HydrophobicContact CD2-CG 4Å; F132-M136 HydrophobicContact CE1-CB 4.36Å; F132-M136 HydrophobicContact CE1-CG 4.08Å; F132-M136 HydrophobicContact CE2-CE 4.08Å; F132-M136 HydrophobicContact CE2-CG 3.78Å; F132-M136 HydrophobicContact CG-CG 4.26Å; F132-M136 HydrophobicContact CZ-CG 3.83Å; F132-M136 VanDerWaalsContact O-CB 3.25Å; F132-M136 WeakPolarHBondContact O-CB 3.49Å; F132-M136 VanDerWaalsContact O-CG 3.28Å; F132-M136 WeakPolarHBondContact O-CG 3.31Å; F132-M136 PolarHBondContact O-N 3.03Å; F132-A142 HydrophobicContact CD1-CB 4.18Å; F132-A142 HydrophobicContact CE1-CB 3.86Å; F132-S187 WeakPolarHBondContact CZ-O 3.1Å; F132-C188 HydrophobicContact CB-CB 4.49Å; F132-C188 HydrophobicContact CD1-CB 3.51Å; F132-C188 HydrophobicContact CE1-CB 3.76Å; F132-C188 HydrophobicContact CG-CB 3.99Å; F132-C188 HydrophobicContact CZ-CB 4.44Å
133Q95Very high91.2Very high51 Ų5150.9 Ų50.924%0.23827%0.272CS..Hα-helixtrans-60.4-45.5177.3-73-175.9-33.500111.2M129 D130 V135 M136 G137 G138 C144M129-Q133 PolarHBondContact O-N 3.02Å; D130-Q133 PolarHBondContact O-N 3.19Å; Q133-V135 PolarHBondContact O-N 3.44Å; Q133-M136 PolarHBondContact O-N 3.41Å; Q133-G137 PolarHBondContact O-N 3.48Å; Q133-G138 VanDerWaalsContact O-CA 3.31Å; Q133-G138 WeakPolarHBondContact O-CA 3.49Å; Q133-G138 PolarHBondContact O-N 3.04Å; Q133-C144 HydrophobicContact CG-CB 4.49Å; Q133-C144 WeakPolarHBondContact CG-SG 3.29Å; Q133-C144 PolarHBondContact NE2-SG 3.38Å
134E94.9Very high91.4Very high114 Ų11446.9 Ų46.953%0.53325%0.247SC..Hα-helixtrans-59.2-49178.8-169.1-164.214100111.7R98 D130 I131 F132R98-E134 IonicContact CZ-OE1 2.89Å; R98-E134 IonicContact CZ-OE2 3.72Å; R98-E134 VanDerWaalsContact NH1-CD 3.3Å; R98-E134 IonicContact NH1-OE1 3.51Å; R98-E134 PolarHBondContact NH1-OE1 3.33Å; R98-E134 IonicContact NH1-OE2 3.7Å; R98-E134 PolarHBondContact NH1-OE2 2.69Å; R98-E134 VanDerWaalsContact NH2-CD 3.29Å; R98-E134 IonicContact NH2-OE1 3.66Å; R98-E134 PolarHBondContact NH2-OE1 3.18Å; R98-E134 IonicContact NH2-OE2 2.68Å; R98-E134 PolarHBondContact NH2-OE2 3.16Å; D130-E134 WeakPolarHBondContact O-CB 3.24Å; D130-E134 PolarHBondContact O-N 3.18Å; I131-E134 PolarHBondContact O-N 2.69Å; F132-E134 VanDerWaalsContact C-N 3.33Å; F132-E134 PolarHBondContact O-N 2.69Å
135V94.9Very high91.5Very high8 Ų844.4 Ų44.45%0.04824%0.235CC..Hα-helixtrans-72.3-32.4-176.5176.80000112.2R98 L101 R102 R105 I131 F132 Q133R98-V135 HydrophobicContact CG-CG2 4.3Å; L101-V135 HydrophobicContact CB-CB 4.13Å; L101-V135 HydrophobicContact CB-CG1 3.74Å; L101-V135 HydrophobicContact CB-CG2 4.36Å; R102-V135 HydrophobicContact CG-CG1 4.05Å; R102-V135 HydrophobicContact CG-CG2 4.43Å; R105-V135 VanDerWaalsContact CD-O 3.24Å; R105-V135 WeakPolarHBondContact CD-O 3.48Å; R105-V135 PolarHBondContact NH1-O 3.23Å; I131-V135 HydrophobicContact CG2-CG2 4.31Å; I131-V135 WeakPolarHBondContact O-CB 3.31Å; I131-V135 VanDerWaalsContact O-CG2 3.31Å; I131-V135 WeakPolarHBondContact O-CG2 3.42Å; I131-V135 PolarHBondContact O-N 2.88Å; F132-V135 PolarHBondContact O-N 3.04Å; Q133-V135 PolarHBondContact O-N 3.44Å
136M93.9Very high91.6Very high1 Ų147.2 Ų47.21%0.00525%0.253CS..THydrogen-bonded Turntrans-92.913.7-174.5-62.1-62175.600114.6L101 V104 V114 F132 Q133 Q141 A142 Y186L101-M136 HydrophobicContact CB-CE 4.14Å; L101-M136 HydrophobicContact CD2-CE 3.83Å; V104-M136 HydrophobicContact CB-CE 4.23Å; V104-M136 HydrophobicContact CG1-CE 3.94Å; V114-M136 HydrophobicContact CG1-CE 4.24Å; F132-M136 HydrophobicContact CD1-CG 4.28Å; F132-M136 HydrophobicContact CD2-CE 4.45Å; F132-M136 HydrophobicContact CD2-CG 4Å; F132-M136 HydrophobicContact CE1-CB 4.36Å; F132-M136 HydrophobicContact CE1-CG 4.08Å; F132-M136 HydrophobicContact CE2-CE 4.08Å; F132-M136 HydrophobicContact CE2-CG 3.78Å; F132-M136 HydrophobicContact CG-CG 4.26Å; F132-M136 HydrophobicContact CZ-CG 3.83Å; F132-M136 VanDerWaalsContact O-CB 3.25Å; F132-M136 WeakPolarHBondContact O-CB 3.49Å; F132-M136 VanDerWaalsContact O-CG 3.28Å; F132-M136 WeakPolarHBondContact O-CG 3.31Å; F132-M136 PolarHBondContact O-N 3.03Å; Q133-M136 PolarHBondContact O-N 3.41Å; M136-Q141 WeakPolarHBondContact O-CB 3.41Å; M136-A142 HydrophobicContact CB-CB 3.96Å; M136-Y186 HydrophobicContact CB-CD2 4.06Å; M136-Y186 HydrophobicContact CB-CG 4.13Å; M136-Y186 HydrophobicContact CG-CG 4.42Å; M136-Y186 HydrophobicContact SD-CD1 4.17Å; M136-Y186 HydrophobicContact SD-CE1 4.33Å; M136-Y186 HydrophobicContact SD-CG 4.35Å
137G83.3Confident91.4Very high28 Ų2840.2 Ų40.229%0.28923%0.226SC..THydrogen-bonded Turntrans92.428.2172.300000115Q133Q133-G137 PolarHBondContact O-N 3.48Å
138G83.8Confident90.8Very high28 Ų2846.1 Ų46.129%0.28925%0.253SS..Hα-helixtrans80.3179.4174.100000114.6Q133 E140 Q141 A142Q133-G138 VanDerWaalsContact O-CA 3.31Å; Q133-G138 WeakPolarHBondContact O-CA 3.49Å; Q133-G138 PolarHBondContact O-N 3.04Å; G138-E140 PolarHBondContact O-N 2.74Å; G138-Q141 PolarHBondContact O-N 3.45Å; G138-A142 WeakPolarHBondContact O-CB 3.49Å; G138-A142 PolarHBondContact O-N 2.79Å
139A77.3Confident90.3Very high69 Ų6946.1 Ų46.157%0.5725%0.253SS*.Hα-helixtrans-64.1-19.9-175.800000114.1
140E79.2Confident89.8Confident175 Ų17546.4 Ų46.482%0.81826%0.255SS*.Hα-helixtrans-71-41.8176.5-64.3-172.3169.700111.8G138 R184G138-E140 PolarHBondContact O-N 2.74Å; E140-R184 PolarHBondContact O-NH1 3.18Å
141Q82.9Confident89Confident104 Ų10445.2 Ų45.249%0.48625%0.246SC..Hα-helixtrans-91.1-32.3-178.5-60.5-170.312.600112.6M136 G138 Y186M136-Q141 WeakPolarHBondContact O-CB 3.41Å; G138-Q141 PolarHBondContact O-N 3.45Å; Q141-Y186 HydrophobicContact CB-CD2 4.35Å
142A89.9Confident87.9Confident1 Ų146.6 Ų46.61%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-107.5106.9-176.800000112F132 M136 G138F132-A142 HydrophobicContact CD1-CB 4.18Å; F132-A142 HydrophobicContact CE1-CB 3.86Å; M136-A142 HydrophobicContact CB-CB 3.96Å; G138-A142 WeakPolarHBondContact O-CB 3.49Å; G138-A142 PolarHBondContact O-N 2.79Å
143G93.5Very high86.2Confident6 Ų649 Ų496%0.06227%0.269CS..EExtended strand (participates in β ladder)trans-76.4127174.300000111.1Y186 S187 C188G143-Y186 PolarHBondContact N-O 2.96Å; G143-S187 CarbonylContact O-C 3.51Å; G143-S187 VanDerWaalsContact O-CA 3.23Å; G143-S187 WeakPolarHBondContact O-CA 3.09Å; G143-C188 PolarHBondContact O-N 3.23Å
144C94.6Very high83.9Confident37 Ų3750.8 Ų50.825%0.2528%0.28CS..EExtended strand (participates in β ladder)trans-127.3142.6-176.6-61.40000111.5M129 Q133 C188M129-C144 HydrophobicContact CE-CB 3.94Å; M129-C144 HydrophobicContact CG-CB 3.96Å; M129-C144 HydrophobicContact SD-CB 3.72Å; Q133-C144 HydrophobicContact CG-CB 4.49Å; Q133-C144 WeakPolarHBondContact CG-SG 3.29Å; Q133-C144 PolarHBondContact NE2-SG 3.38Å; C144-C188 CarbonylContact C-O 3.57Å; C144-C188 VanDerWaalsContact CA-O 3.3Å; C144-C188 WeakPolarHBondContact CA-O 3.38Å; C144-C188 HydrophobicContact CB-CB 4.35Å
145M94.2Very high81.6Confident19 Ų1948.8 Ų48.89%0.09429%0.29CS..EExtended strand (participates in β ladder)trans-142137.3178.1178171.2179.600111.3M129 E173 R176 V177 L180 C188 V189 M190M129-M145 VanDerWaalsContact CE-O 3.31Å; M129-M145 WeakPolarHBondContact CE-O 3.28Å; M145-E173 HydrophobicContact CE-CB 4.42Å; M145-R176 HydrophobicContact CE-CB 3.98Å; M145-R176 HydrophobicContact SD-CB 4.05Å; M145-V177 HydrophobicContact CE-CG2 4.2Å; M145-V177 HydrophobicContact SD-CG2 3.82Å; M145-L180 HydrophobicContact CB-CD2 3.64Å; M145-C188 PolarHBondContact N-O 3.38Å; M145-V189 WeakPolarHBondContact O-CA 3.5Å; M145-M190 PolarHBondContact O-N 3.23Å
146V93.6Very high78.9Confident64 Ų6455 Ų5539%0.38833%0.329SS..EExtended strand (participates in β ladder)trans-99.6116.1166.4-175.30000107.8N121 M129 M190N121-V146 HydrophobicContact CB-CG1 3.94Å; M129-V146 HydrophobicContact CE-CG2 4.01Å; M129-V146 HydrophobicContact SD-CG2 4.29Å; V146-M190 HydrophobicContact CG1-CB 4.35Å; V146-M190 HydrophobicContact CG2-CB 4.37Å; V146-M190 HydrophobicContact CG2-SD 4.01Å
147W90.7Very high76.2Confident1 Ų165.1 Ų65.10%0.00437%0.372CS..  trans-102.9126.1179.3-175.123.1000110.1N121 G149 N150 F151 E173 A174 V177 M190 Q191 T202N121-W147 PolarHBondContact ND2-O 3.21Å; W147-G149 PolarHBondContact O-N 3.41Å; W147-N150 WeakPolarHBondContact CH2-O 3.37Å; W147-N150 VanDerWaalsContact CZ2-C 3.43Å; W147-N150 WeakPolarHBondContact CZ2-O 3.38Å; W147-F151 HydrophobicContact CH2-CB 4.12Å; W147-F151 HydrophobicContact CH2-CD1 4.24Å; W147-F151 AromaticContact CH2-CD2 3.56Å; W147-F151 HydrophobicContact CH2-CD2 3.56Å; W147-F151 HydrophobicContact CH2-CE2 4.01Å; W147-F151 AromaticContact CH2-CG 3.7Å; W147-F151 HydrophobicContact CH2-CG 3.7Å; W147-F151 AromaticContact CZ3-CD2 3.6Å; W147-F151 HydrophobicContact CZ3-CD2 3.6Å; W147-F151 AromaticContact CZ3-CE2 3.94Å; W147-F151 HydrophobicContact CZ3-CE2 3.94Å; W147-F151 HydrophobicContact CZ3-CG 4.2Å; W147-E173 PolarHBondContact NE1-OE2 3.03Å; W147-A174 HydrophobicContact CH2-CB 4.37Å; W147-A174 HydrophobicContact CZ2-CB 4.14Å; W147-V177 HydrophobicContact CB-CG2 4.45Å; W147-V177 HydrophobicContact CD2-CG2 4.09Å; W147-V177 HydrophobicContact CE3-CG2 4.04Å; W147-V177 HydrophobicContact CG-CG2 4.3Å; W147-M190 WeakPolarHBondContact CA-O 3.39Å; W147-M190 WeakPolarHBondContact CB-O 3.48Å; W147-M190 PolarHBondContact N-O 3.46Å; W147-Q191 HydrophobicContact CE3-CB 4.17Å; W147-T202 HydrophobicContact CZ3-CG2 4.19Å
148K82.9Confident73.9Confident166 Ų16666.8 Ų66.872%0.72239%0.39SS*.SBendtrans-89.744.6178.4-65-174.3-179.8-179.90111.6
149G85.4Confident71.5Confident0 Ų070.3 Ų70.30%043%0.426CS..SBendtrans-179.6-171.2-178.600000111.6W147 E192W147-G149 PolarHBondContact O-N 3.41Å; G149-E192 PolarHBondContact O-N 3.44Å
150N85.5Confident69.6Low17 Ų1769.2 Ų69.29%0.09142%0.421CS..  trans-136.2167.4177.8-72.6-26.4000110.6W147 H152 S153 Q191 E192 E198W147-N150 WeakPolarHBondContact CH2-O 3.37Å; W147-N150 VanDerWaalsContact CZ2-C 3.43Å; W147-N150 WeakPolarHBondContact CZ2-O 3.38Å; N150-H152 PolarHBondContact O-N 3.16Å; N150-S153 PolarHBondContact N-OG 2.67Å; N150-S153 PolarHBondContact O-N 2.97Å; N150-S153 PolarHBondContact O-OG 3.48Å; N150-Q191 WeakPolarHBondContact OD1-CB 3.43Å; N150-Q191 WeakPolarHBondContact OD1-CG 3.49Å; N150-E192 PolarHBondContact ND2-O 3.2Å; N150-E192 PolarHBondContact OD1-N 3.18Å; N150-E192 PolarHBondContact OD1-O 3.41Å; N150-E192 VanDerWaalsContact OD1-O 3.05Å; N150-E198 HydrophobicContact CB-CG 4.2Å
151F80.5Confident67.9Low46 Ų4668.7 Ų68.720%0.20243%0.43CS..THydrogen-bonded Turntrans-66.2-26.4178.9-87.3-81.9000112.2W147 A174 V177 Y201 T202 K205 A206W147-F151 HydrophobicContact CH2-CB 4.12Å; W147-F151 HydrophobicContact CH2-CD1 4.24Å; W147-F151 AromaticContact CH2-CD2 3.56Å; W147-F151 HydrophobicContact CH2-CD2 3.56Å; W147-F151 HydrophobicContact CH2-CE2 4.01Å; W147-F151 AromaticContact CH2-CG 3.7Å; W147-F151 HydrophobicContact CH2-CG 3.7Å; W147-F151 AromaticContact CZ3-CD2 3.6Å; W147-F151 HydrophobicContact CZ3-CD2 3.6Å; W147-F151 AromaticContact CZ3-CE2 3.94Å; W147-F151 HydrophobicContact CZ3-CE2 3.94Å; W147-F151 HydrophobicContact CZ3-CG 4.2Å; F151-A174 HydrophobicContact CD1-CB 4.03Å; F151-A174 HydrophobicContact CE1-CB 3.73Å; F151-A174 HydrophobicContact CZ-CB 4.4Å; F151-V177 HydrophobicContact CE2-CG1 4.23Å; F151-V177 HydrophobicContact CZ-CG1 4.41Å; F151-Y201 HydrophobicContact CB-CD1 3.99Å; F151-Y201 HydrophobicContact CB-CE1 3.58Å; F151-Y201 HydrophobicContact CG-CE1 4.13Å; F151-T202 HydrophobicContact CD2-CG2 4Å; F151-T202 HydrophobicContact CE2-CG2 3.8Å; F151-K205 HydrophobicContact CD1-CG 3.83Å; F151-K205 HydrophobicContact CD2-CB 4.39Å; F151-K205 HydrophobicContact CE1-CB 4.41Å; F151-K205 HydrophobicContact CE1-CG 3.77Å; F151-K205 HydrophobicContact CE2-CB 4.27Å; F151-K205 HydrophobicContact CE2-CG 4.48Å; F151-K205 HydrophobicContact CG-CG 4.23Å; F151-K205 HydrophobicContact CZ-CB 4.29Å; F151-K205 HydrophobicContact CZ-CG 4.12Å; F151-A206 HydrophobicContact CE2-CB 4.36Å; F151-A206 HydrophobicContact CZ-CB 4.27Å
152H73.3Confident66Low44 Ų4466.5 Ų66.520%0.20444%0.435CS..THydrogen-bonded Turntrans-96.58.4-178.9-69.988.7000115N150 D154 E198 Y201 Y306 H307N150-H152 PolarHBondContact O-N 3.16Å; H152-D154 PolarHBondContact O-N 2.99Å; H152-D154 VanDerWaalsContact O-N 3.09Å; H152-E198 IonicContact ND1-OE1 2.74Å; H152-E198 PolarHBondContact ND1-OE1 3.16Å; H152-Y201 AromaticContact CE1-CD1 3.3Å; H152-Y201 WeakPolarHBondContact CE1-CD1 3.47Å; H152-Y201 AromaticContact CE1-CD2 3.75Å; H152-Y201 AromaticContact CE1-CE1 3.02Å; H152-Y201 WeakPolarHBondContact CE1-CE1 3.46Å; H152-Y201 AromaticContact CE1-CE2 3.43Å; H152-Y201 VanDerWaalsContact CE1-CE2 3.43Å; H152-Y201 WeakPolarHBondContact CE1-CE2 3.47Å; H152-Y201 AromaticContact CE1-CG 3.66Å; H152-Y201 AromaticContact CE1-CZ 3.06Å; H152-Y201 AromaticContact ND1-CD1 3.65Å; H152-Y201 AromaticContact ND1-CE1 3.55Å; H152-Y201 AromaticContact NE2-CE1 3.95Å; H152-Y201 AromaticContact NE2-CE2 3.93Å; H152-Y201 AromaticContact NE2-CZ 3.6Å; H152-Y306 HydrophobicContact CB-CE1 4.29Å; H152-Y306 AromaticContact CD2-CD1 3.68Å; H152-Y306 AromaticContact CD2-CE1 3.19Å; H152-Y306 WeakPolarHBondContact CD2-CE1 3.44Å; H152-Y306 AromaticContact CD2-CZ 3.77Å; H152-Y306 AromaticContact CE1-CD1 3.18Å; H152-Y306 WeakPolarHBondContact CE1-CD1 3.17Å; H152-Y306 AromaticContact CE1-CD2 3.64Å; H152-Y306 AromaticContact CE1-CE1 3.11Å; H152-Y306 WeakPolarHBondContact CE1-CE1 3.49Å; H152-Y306 AromaticContact CE1-CE2 3.52Å; H152-Y306 AromaticContact CE1-CG 3.45Å; H152-Y306 VanDerWaalsContact CE1-CG 3.45Å; H152-Y306 AromaticContact CE1-CZ 3.24Å; H152-Y306 AromaticContact CG-CE1 3.38Å; H152-Y306 AromaticContact CG-CZ 3.43Å; H152-Y306 VanDerWaalsContact CG-CZ 3.43Å; H152-Y306 AromaticContact ND1-CD1 3.94Å; H152-Y306 AromaticContact ND1-CE1 3.39Å; H152-Y306 WeakPolarHBondContact ND1-CE1 3.39Å; H152-Y306 AromaticContact ND1-CE2 3.59Å; H152-Y306 AromaticContact ND1-CZ 3.13Å; H152-Y306 PolarHBondContact ND1-OH 3.47Å; H152-Y306 AromaticContact NE2-CD1 2.99Å; H152-Y306 WeakPolarHBondContact NE2-CD1 3.5Å; H152-Y306 AromaticContact NE2-CE1 3.02Å; H152-Y306 WeakPolarHBondContact NE2-CE1 3.3Å; H152-Y306 AromaticContact NE2-CG 3.68Å; H152-Y306 AromaticContact NE2-CZ 3.66Å; H152-H307 AromaticContact CD2-CE1 3.54Å; H152-H307 AromaticContact CD2-NE2 3.78Å; H152-H307 AromaticContact NE2-CE1 3.66Å; H152-H307 AromaticContact NE2-NE2 3.5Å; H152-H307 PolarHBondContact NE2-NE2 2.96Å
153S61.2Low64Low49 Ų4968.2 Ų68.234%0.34345%0.452SS..  trans-63.7-13.7178.4-19.40000113.3N150 H170N150-S153 PolarHBondContact N-OG 2.67Å; N150-S153 PolarHBondContact O-N 2.97Å; N150-S153 PolarHBondContact O-OG 3.48Å; S153-H170 VanDerWaalsContact CB-CE1 3.47Å; S153-H170 WeakPolarHBondContact CB-CE1 3.35Å; S153-H170 PolarHBondContact OG-CE1 2.94Å; S153-H170 VanDerWaalsContact OG-CE1 3.3Å
154D47.3Very low62.1Low89 Ų8970.8 Ų70.848%0.47648%0.479SS..SBendtrans-83.8110.9173.3-89.2-16.6000110.7H152 S167H152-D154 PolarHBondContact O-N 2.99Å; H152-D154 VanDerWaalsContact O-N 3.09Å; D154-S167 PolarHBondContact OD2-OG 3.02Å
155G46.1Very low60.2Low72 Ų7277.5 Ų77.574%0.74250%0.504SS*.SBendtrans139.90.8149.700000120.8
156T38.3Very low58.3Low140 Ų14085.4 Ų85.486%0.85953%0.533SS*.SBendtrans-134.3-0.7-179.536.10000117.4
157K37.2Very low56.8Low212 Ų21284.4 Ų84.492%0.92253%0.529SS*.SBendtrans-133.993.1174.9-69.4-170.5179.1-179.10112.4
158G35.5Very low55.6Low64 Ų6487.2 Ų87.266%0.6655%0.552SS**  trans123.382.4156.700000115.3G160G158-G160 PolarHBondContact O-N 2.63Å
159G32.1Very low55.1Low102 Ų10282.9 Ų82.9100%1.05254%0.54SS*.  trans-71.863.4159.200000111.1
160G38Very low54.6Low45 Ų4584.2 Ų84.246%0.46455%0.546SS..SBendtrans-125.1151.4175.800000110.6G158 G162 G163G158-G160 PolarHBondContact O-N 2.63Å; G160-G162 PolarHBondContact O-N 3.45Å; G160-G163 PolarHBondContact O-N 2.79Å
161V42.3Very low54.3Low165 Ų16589.6 Ų89.6100%157%0.572SS**THydrogen-bonded Turntrans-55.9-1.5-171-178.40000115.2
162G44.4Very low54.6Low57 Ų5793 Ų9359%0.58859%0.588SS**THydrogen-bonded Turntrans-99.21.517100000116.6G160 G164G160-G162 PolarHBondContact O-N 3.45Å; G162-G164 PolarHBondContact O-N 2.99Å
163G47.7Very low55.3Low37 Ų3792.6 Ų92.638%0.38159%0.587SS.*Hα-helixtrans-65.6-33.5-174.700000115.4G160 R166 S167G160-G163 PolarHBondContact O-N 2.79Å; G163-R166 PolarHBondContact O-N 2.75Å; G163-S167 WeakPolarHBondContact O-CB 3.48Å; G163-S167 PolarHBondContact O-N 3.37Å
164G53.8Low56.6Low60 Ų6091 Ų9162%0.61958%0.577SS**Hα-helixtrans-67.3-39-176.900000114.1G162 A168G162-G164 PolarHBondContact O-N 2.99Å; G164-A168 WeakPolarHBondContact O-CB 3.41Å; G164-A168 PolarHBondContact O-N 3.43Å; G164-A168 VanDerWaalsContact O-N 3.14Å
165K54Low58.6Low179 Ų17989.6 Ų89.678%0.77857%0.573SS**Hα-helixtrans-73.8-33.3179.7-154.8172.8-173.4176.80111.9V169K165-V169 WeakPolarHBondContact O-CG2 3.34Å; K165-V169 PolarHBondContact O-N 3.26Å
166R54.6Low60.9Low184 Ų18491.7 Ų91.769%0.69456%0.559SS**Hα-helixtrans-73.5-39.9177.5-167171.6-178.5167.50.7112.2G163 V169 H170G163-R166 PolarHBondContact O-N 2.75Å; R166-V169 PolarHBondContact O-N 3.03Å; R166-H170 PolarHBondContact O-CD2 3Å; R166-H170 PolarHBondContact O-N 2.92Å
167S61.6Low63.6Low43 Ų4385 Ų8530%0.30152%0.518SS..Hα-helixtrans-66.1-39.8174.2179.10000111.9D154 G163 V169 H170 M171D154-S167 PolarHBondContact OD2-OG 3.02Å; G163-S167 WeakPolarHBondContact O-CB 3.48Å; G163-S167 PolarHBondContact O-N 3.37Å; S167-V169 PolarHBondContact O-N 3.22Å; S167-H170 PolarHBondContact O-N 3.31Å; S167-M171 WeakPolarHBondContact O-CB 3.42Å; S167-M171 PolarHBondContact O-N 2.84Å
168A67.1Low66.3Low60 Ų6075.9 Ų75.950%0.49648%0.482SS..Hα-helixtrans-60.8-44.1175.300000113.1G164 M171 E172G164-A168 WeakPolarHBondContact O-CB 3.41Å; G164-A168 PolarHBondContact O-N 3.43Å; G164-A168 VanDerWaalsContact O-N 3.14Å; A168-M171 PolarHBondContact O-N 3.35Å; A168-E172 PolarHBondContact O-N 2.96Å
169V70.5Confident69.2Low76 Ų7680.7 Ų80.746%0.46148%0.48SS..Hα-helixtrans-64.9-42.8176.1173.60000111.3K165 R166 S167 M171 E172 E173K165-V169 WeakPolarHBondContact O-CG2 3.34Å; K165-V169 PolarHBondContact O-N 3.26Å; R166-V169 PolarHBondContact O-N 3.03Å; S167-V169 PolarHBondContact O-N 3.22Å; V169-M171 VanDerWaalsContact C-N 3.33Å; V169-M171 PolarHBondContact O-N 3.38Å; V169-E172 PolarHBondContact O-N 2.95Å; V169-E173 PolarHBondContact O-N 3.45Å
170H76Confident72.2Confident27 Ų2777.2 Ų77.213%0.12544%0.437CS..Hα-helixtrans-60.6-42.5175.1-95.4-76.3000112.3S153 R166 S167 E172 E173 A174S153-H170 VanDerWaalsContact CB-CE1 3.47Å; S153-H170 WeakPolarHBondContact CB-CE1 3.35Å; S153-H170 PolarHBondContact OG-CE1 2.94Å; S153-H170 VanDerWaalsContact OG-CE1 3.3Å; R166-H170 PolarHBondContact O-CD2 3Å; R166-H170 PolarHBondContact O-N 2.92Å; S167-H170 PolarHBondContact O-N 3.31Å; H170-E172 VanDerWaalsContact C-N 3.33Å; H170-E173 PolarHBondContact O-N 3.42Å; H170-A174 VanDerWaalsContact O-CB 3.32Å; H170-A174 WeakPolarHBondContact O-CB 3.49Å; H170-A174 PolarHBondContact O-N 2.9Å
171M79.4Confident75Confident131 Ų13175.1 Ų75.165%0.64542%0.416SS*.Hα-helixtrans-67.2-35179-162.9168.6-171.500111.9S167 A168 V169 S175S167-M171 WeakPolarHBondContact O-CB 3.42Å; S167-M171 PolarHBondContact O-N 2.84Å; A168-M171 PolarHBondContact O-N 3.35Å; V169-M171 VanDerWaalsContact C-N 3.33Å; V169-M171 PolarHBondContact O-N 3.38Å; M171-S175 WeakPolarHBondContact O-CB 3.24Å; M171-S175 PolarHBondContact O-N 3.19Å; M171-S175 PolarHBondContact O-OG 3.2Å
172E85.9Confident77.5Confident117 Ų11772.2 Ų72.255%0.54739%0.39SS..Hα-helixtrans-66.2-46.3172.6-170.2-177.2172.500111.8A168 V169 H170 S175 R176A168-E172 PolarHBondContact O-N 2.96Å; V169-E172 PolarHBondContact O-N 2.95Å; H170-E172 VanDerWaalsContact C-N 3.33Å; E172-S175 CarbonylContact O-C 3.56Å; E172-S175 WeakPolarHBondContact O-CB 3.47Å; E172-S175 PolarHBondContact O-N 2.96Å; E172-R176 WeakPolarHBondContact O-CG 3.09Å; E172-R176 PolarHBondContact O-N 3.29Å
173E87.6Confident79.9Confident36 Ų3672.6 Ų72.617%0.16839%0.394CS..Hα-helixtrans-64.1-42.4176.7-70.3-163.811900112.3M145 W147 V169 H170 S175 R176 V177M145-E173 HydrophobicContact CE-CB 4.42Å; W147-E173 PolarHBondContact NE1-OE2 3.03Å; V169-E173 PolarHBondContact O-N 3.45Å; H170-E173 PolarHBondContact O-N 3.42Å; E173-S175 VanDerWaalsContact C-N 3.27Å; E173-S175 PolarHBondContact O-N 3.36Å; E173-R176 WeakPolarHBondContact O-CA 3.37Å; E173-R176 WeakPolarHBondContact O-CB 3.49Å; E173-R176 PolarHBondContact O-N 2.96Å; E173-V177 WeakPolarHBondContact O-CG2 3.34Å; E173-V177 PolarHBondContact O-N 3.35Å
174A88.4Confident82Confident16 Ų1676.1 Ų76.113%0.13240%0.395CS..Hα-helixtrans-58.7-40.8173.200000111.4W147 F151 H170 R176 V177 A178W147-A174 HydrophobicContact CH2-CB 4.37Å; W147-A174 HydrophobicContact CZ2-CB 4.14Å; F151-A174 HydrophobicContact CD1-CB 4.03Å; F151-A174 HydrophobicContact CE1-CB 3.73Å; F151-A174 HydrophobicContact CZ-CB 4.4Å; H170-A174 VanDerWaalsContact O-CB 3.32Å; H170-A174 WeakPolarHBondContact O-CB 3.49Å; H170-A174 PolarHBondContact O-N 2.9Å; A174-R176 VanDerWaalsContact C-N 3.34Å; A174-R176 PolarHBondContact O-N 2.97Å; A174-V177 PolarHBondContact O-N 2.89Å; A174-A178 PolarHBondContact O-N 3.06Å
175S90.9Very high83.9Confident58 Ų5879.2 Ų79.241%0.40639%0.388SS..Hα-helixtrans-67.2-33.3174.8-60.80000112.4M171 E172 E173 R179M171-S175 WeakPolarHBondContact O-CB 3.24Å; M171-S175 PolarHBondContact O-N 3.19Å; M171-S175 PolarHBondContact O-OG 3.2Å; E172-S175 CarbonylContact O-C 3.56Å; E172-S175 WeakPolarHBondContact O-CB 3.47Å; E172-S175 PolarHBondContact O-N 2.96Å; E173-S175 VanDerWaalsContact C-N 3.27Å; E173-S175 PolarHBondContact O-N 3.36Å; S175-R179 WeakPolarHBondContact O-CB 3.42Å; S175-R179 WeakPolarHBondContact O-CG 3.43Å; S175-R179 PolarHBondContact O-N 2.88Å
176R93.6Very high86Confident117 Ų11772 Ų7244%0.44236%0.356SS..Hα-helixtrans-67.5-42.9172.7-72172.966.4-166.40.9111.6M145 E172 E173 A174 R179 L180M145-R176 HydrophobicContact CE-CB 3.98Å; M145-R176 HydrophobicContact SD-CB 4.05Å; E172-R176 WeakPolarHBondContact O-CG 3.09Å; E172-R176 PolarHBondContact O-N 3.29Å; E173-R176 WeakPolarHBondContact O-CA 3.37Å; E173-R176 WeakPolarHBondContact O-CB 3.49Å; E173-R176 PolarHBondContact O-N 2.96Å; A174-R176 VanDerWaalsContact C-N 3.34Å; A174-R176 PolarHBondContact O-N 2.97Å; R176-R179 PolarHBondContact O-N 2.88Å; R176-L180 WeakPolarHBondContact O-CB 3.44Å; R176-L180 PolarHBondContact O-N 3.28Å
177V94.6Very high88Confident0 Ų063.2 Ų63.20%032%0.323CS..Hα-helixtrans-59.4-47.8173.9171.70000110.4M145 W147 F151 E173 A174 R179 L180 V181 V189 T202 A206M145-V177 HydrophobicContact CE-CG2 4.2Å; M145-V177 HydrophobicContact SD-CG2 3.82Å; W147-V177 HydrophobicContact CB-CG2 4.45Å; W147-V177 HydrophobicContact CD2-CG2 4.09Å; W147-V177 HydrophobicContact CE3-CG2 4.04Å; W147-V177 HydrophobicContact CG-CG2 4.3Å; F151-V177 HydrophobicContact CE2-CG1 4.23Å; F151-V177 HydrophobicContact CZ-CG1 4.41Å; E173-V177 WeakPolarHBondContact O-CG2 3.34Å; E173-V177 PolarHBondContact O-N 3.35Å; A174-V177 PolarHBondContact O-N 2.89Å; V177-R179 PolarHBondContact O-N 3.04Å; V177-L180 WeakPolarHBondContact O-CB 3.43Å; V177-L180 PolarHBondContact O-N 2.88Å; V177-V181 HydrophobicContact CG1-CG2 4.48Å; V177-V181 WeakPolarHBondContact O-CB 3.21Å; V177-V181 WeakPolarHBondContact O-CG2 3.33Å; V177-V181 PolarHBondContact O-N 3.5Å; V177-V189 HydrophobicContact CG1-CG1 4.19Å; V177-V189 HydrophobicContact CG1-CG2 4.08Å; V177-V189 HydrophobicContact CG2-CG1 4.18Å; V177-T202 HydrophobicContact CG1-CG2 4.32Å; V177-A206 HydrophobicContact CG1-CB 4Å
178A95.2Very high89.7Confident20 Ų2061.1 Ų61.117%0.16531%0.309CS..Hα-helixtrans-61.3-43.1176.800000112.4A174 K182A174-A178 PolarHBondContact O-N 3.06Å; A178-K182 VanDerWaalsContact O-CB 3.26Å; A178-K182 WeakPolarHBondContact O-CB 3.29Å; A178-K182 VanDerWaalsContact O-CG 3.23Å; A178-K182 WeakPolarHBondContact O-CG 3.32Å; A178-K182 PolarHBondContact O-N 2.87Å
179R95.9Very high91.1Very high164 Ų16458.3 Ų58.362%0.61929%0.285SS*.Hα-helixtrans-62.4-42.3175.5-79.3-173.2-69.8168.9-6.3112.4S175 R176 V177 G183S175-R179 WeakPolarHBondContact O-CB 3.42Å; S175-R179 WeakPolarHBondContact O-CG 3.43Å; S175-R179 PolarHBondContact O-N 2.88Å; R176-R179 PolarHBondContact O-N 2.88Å; V177-R179 PolarHBondContact O-N 3.04Å; R179-G183 WeakPolarHBondContact O-CA 3.41Å; R179-G183 PolarHBondContact O-N 2.88Å
180L95.5Very high92.4Very high30 Ų3054.8 Ų54.816%0.15726%0.264CS..Hα-helixtrans-59.6-54.9176.8177.966.4000110.8M145 R176 V177 K182 G183 R184 S187 V189M145-L180 HydrophobicContact CB-CD2 3.64Å; R176-L180 WeakPolarHBondContact O-CB 3.44Å; R176-L180 PolarHBondContact O-N 3.28Å; V177-L180 WeakPolarHBondContact O-CB 3.43Å; V177-L180 PolarHBondContact O-N 2.88Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 3.09Å; L180-G183 PolarHBondContact O-N 3.4Å; L180-R184 HydrophobicContact CD1-CG 4.06Å; L180-R184 WeakPolarHBondContact O-CB 3.25Å; L180-R184 PolarHBondContact O-N 3.47Å; L180-S187 PolarHBondContact O-OG 2.96Å; L180-V189 HydrophobicContact CD2-CG2 4.28Å
181V96.3Very high93.3Very high1 Ų153.5 Ų53.51%0.00626%0.258CS..Hα-helixtrans-63.6-38.5-177.7170.20000111.5K113 V115 V177 V189 A206 L207K113-V181 WeakPolarHBondContact CD-O 3.36Å; K113-V181 WeakPolarHBondContact CE-O 3.24Å; K113-V181 PolarHBondContact NZ-O 3.03Å; V115-V181 HydrophobicContact CG1-CG1 4.37Å; V115-V181 HydrophobicContact CG1-CG2 4.04Å; V115-V181 HydrophobicContact CG2-CG1 3.83Å; V177-V181 HydrophobicContact CG1-CG2 4.48Å; V177-V181 WeakPolarHBondContact O-CB 3.21Å; V177-V181 WeakPolarHBondContact O-CG2 3.33Å; V177-V181 PolarHBondContact O-N 3.5Å; V181-V189 HydrophobicContact CG2-CG2 4.26Å; V181-A206 HydrophobicContact CB-CB 3.95Å; V181-A206 HydrophobicContact CG1-CB 4.07Å; V181-A206 HydrophobicContact CG2-CB 3.88Å; V181-L207 HydrophobicContact CG1-CD2 3.66Å; V181-L207 HydrophobicContact CG1-CG 3.84Å
182K95.4Very high93.9Very high104 Ų10452 Ų5245%0.45225%0.249SC..Hα-helixtrans-74.8-39.2178-70178.9-175.8-177.20112.6K113 A178 L180 A206 L207K113-K182 VanDerWaalsContact NZ-C 3.33Å; K113-K182 PolarHBondContact NZ-O 3.49Å; A178-K182 VanDerWaalsContact O-CB 3.26Å; A178-K182 WeakPolarHBondContact O-CB 3.29Å; A178-K182 VanDerWaalsContact O-CG 3.23Å; A178-K182 WeakPolarHBondContact O-CG 3.32Å; A178-K182 PolarHBondContact O-N 2.87Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 3.09Å; K182-A206 WeakPolarHBondContact CE-O 3.42Å; K182-L207 VanDerWaalsContact CE-O 3.31Å; K182-L207 WeakPolarHBondContact CE-O 3.43Å
183G93.3Very high94.1Very high65 Ų6554.3 Ų54.367%0.6725%0.253SS*.Hα-helixtrans-84.6-19.4-172.500000115.8R179 L180R179-G183 WeakPolarHBondContact O-CA 3.41Å; R179-G183 PolarHBondContact O-N 2.88Å; L180-G183 PolarHBondContact O-N 3.4Å
184R92.9Very high94Very high110 Ų11054.1 Ų54.142%0.41526%0.261SS..  trans-111.8151.4-178.4-62.5-68.6-172.1131.5-2.3111.9K113 E140 L180 Y186K113-R184 VanDerWaalsContact CE-O 3.3Å; K113-R184 WeakPolarHBondContact CE-O 3.5Å; E140-R184 PolarHBondContact O-NH1 3.18Å; L180-R184 HydrophobicContact CD1-CG 4.06Å; L180-R184 WeakPolarHBondContact O-CB 3.25Å; L180-R184 PolarHBondContact O-N 3.47Å; R184-Y186 WeakPolarHBondContact CB-O 3.37Å
185R93.4Very high94.1Very high125 Ų12554.3 Ų54.347%0.47226%0.264SS..SBendtrans-73.6-40.8172.2-173.9179.8177.6-175.3-4.9111.5L112 K113 V114L112-R185 WeakPolarHBondContact O-CG 3.27Å; L112-R185 PolarHBondContact O-NE 3.22Å; K113-R185 CarbonylContact C-O 3.54Å; K113-R185 WeakPolarHBondContact CA-O 3.46Å; V114-R185 PolarHBondContact N-O 3.23Å
186Y97.1Very high94Very high27 Ų2754.1 Ų54.111%0.10626%0.256CS..EExtended strand (participates in β ladder)trans-117.2126.7176.6-49.9-50.8000109V114 M136 Q141 G143 R184V114-Y186 HydrophobicContact CB-CD1 3.89Å; V114-Y186 HydrophobicContact CG2-CD1 3.84Å; V114-Y186 HydrophobicContact CG2-CE1 3.95Å; V114-Y186 WeakPolarHBondContact O-CA 3.36Å; M136-Y186 HydrophobicContact CB-CD2 4.06Å; M136-Y186 HydrophobicContact CB-CG 4.13Å; M136-Y186 HydrophobicContact CG-CG 4.42Å; M136-Y186 HydrophobicContact SD-CD1 4.17Å; M136-Y186 HydrophobicContact SD-CE1 4.33Å; M136-Y186 HydrophobicContact SD-CG 4.35Å; Q141-Y186 HydrophobicContact CB-CD2 4.35Å; G143-Y186 PolarHBondContact N-O 2.96Å; R184-Y186 WeakPolarHBondContact CB-O 3.37Å
187S97.4Very high93.9Very high0 Ų049 Ų490%024%0.237CC..EExtended strand (participates in β ladder)trans-135.6135.1-178.9-59.20000111.5V114 V115 L116 F132 G143 L180V114-S187 PolarHBondContact O-N 3.45Å; V115-S187 CarbonylContact C-O 3.56Å; V115-S187 WeakPolarHBondContact CA-O 3.44Å; L116-S187 PolarHBondContact N-O 2.84Å; F132-S187 WeakPolarHBondContact CZ-O 3.1Å; G143-S187 CarbonylContact O-C 3.51Å; G143-S187 VanDerWaalsContact O-CA 3.23Å; G143-S187 WeakPolarHBondContact O-CA 3.09Å; L180-S187 PolarHBondContact O-OG 2.96Å
188C97.8Very high93.8Very high0 Ų049.4 Ų49.40%024%0.239CC..EExtended strand (participates in β ladder)trans-121.1128.3170.2-179.80000110.4L116 F132 G143 C144 M145L116-C188 HydrophobicContact CB-CB 4.45Å; L116-C188 CarbonylContact O-C 3.58Å; L116-C188 VanDerWaalsContact O-CA 3.27Å; L116-C188 WeakPolarHBondContact O-CA 3.46Å; F132-C188 HydrophobicContact CB-CB 4.49Å; F132-C188 HydrophobicContact CD1-CB 3.51Å; F132-C188 HydrophobicContact CE1-CB 3.76Å; F132-C188 HydrophobicContact CG-CB 3.99Å; F132-C188 HydrophobicContact CZ-CB 4.44Å; G143-C188 PolarHBondContact O-N 3.23Å; C144-C188 CarbonylContact C-O 3.57Å; C144-C188 VanDerWaalsContact CA-O 3.3Å; C144-C188 WeakPolarHBondContact CA-O 3.38Å; C144-C188 HydrophobicContact CB-CB 4.35Å; M145-C188 PolarHBondContact N-O 3.38Å
189V97.1Very high93.7Very high0 Ų048.6 Ų48.60%023%0.232CC..EExtended strand (participates in β ladder)trans-122.9116.4178.2-176.60000108.7L116 V117 V118 M145 V177 L180 V181 T202L116-V189 PolarHBondContact O-N 2.73Å; V117-V189 CarbonylContact C-O 3.48Å; V117-V189 VanDerWaalsContact CA-O 3.3Å; V117-V189 WeakPolarHBondContact CA-O 3.46Å; V117-V189 HydrophobicContact CG1-CB 4.47Å; V117-V189 HydrophobicContact CG2-CB 4.37Å; V118-V189 PolarHBondContact N-O 2.96Å; M145-V189 WeakPolarHBondContact O-CA 3.5Å; V177-V189 HydrophobicContact CG1-CG1 4.19Å; V177-V189 HydrophobicContact CG1-CG2 4.08Å; V177-V189 HydrophobicContact CG2-CG1 4.18Å; L180-V189 HydrophobicContact CD2-CG2 4.28Å; V181-V189 HydrophobicContact CG2-CG2 4.26Å; V189-T202 HydrophobicContact CG1-CG2 4.42Å
190M96.5Very high93.7Very high2 Ų241.3 Ų41.31%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-91.3131.9166.4-73.9168.98200108.8V118 G120 N121 D125 R126 M129 M145 V146 W147V118-M190 HydrophobicContact CB-CB 4.46Å; V118-M190 HydrophobicContact CB-CG 3.79Å; V118-M190 HydrophobicContact CG1-CG 4.12Å; V118-M190 HydrophobicContact CG2-CG 4.18Å; G120-M190 WeakPolarHBondContact O-CB 3.48Å; G120-M190 WeakPolarHBondContact O-CE 3.47Å; N121-M190 HydrophobicContact CB-CB 4.46Å; D125-M190 HydrophobicContact CB-CE 3.79Å; R126-M190 HydrophobicContact CB-CE 4.29Å; M129-M190 HydrophobicContact CB-CG 4.43Å; M129-M190 HydrophobicContact CB-SD 3.72Å; M129-M190 HydrophobicContact CE-CB 4.08Å; M129-M190 HydrophobicContact CE-CG 3.57Å; M129-M190 HydrophobicContact CE-SD 3.45Å; M129-M190 WeakPolarHBondContact CE-SD 3.25Å; M129-M190 HydrophobicContact CG-SD 4.41Å; M129-M190 HydrophobicContact SD-SD 3.89Å; M145-M190 PolarHBondContact O-N 3.23Å; V146-M190 HydrophobicContact CG1-CB 4.35Å; V146-M190 HydrophobicContact CG2-CB 4.37Å; V146-M190 HydrophobicContact CG2-SD 4.01Å; W147-M190 WeakPolarHBondContact CA-O 3.39Å; W147-M190 WeakPolarHBondContact CB-O 3.48Å; W147-M190 PolarHBondContact N-O 3.46Å
191Q94.5Very high93.7Very high0 Ų040.3 Ų40.30%020%0.199CC..  trans-132.1176.1-176.770174.63800111.9V117 V118 G120 N121 W147 N150 T202V117-Q191 HydrophobicContact CG1-CG 4.25Å; V118-Q191 WeakPolarHBondContact O-CG 3.49Å; V118-Q191 PolarHBondContact O-N 3.39Å; G120-Q191 CarbonylContact C-O 3.52Å; G120-Q191 VanDerWaalsContact CA-O 3.26Å; G120-Q191 WeakPolarHBondContact CA-O 3.36Å; G120-Q191 PolarHBondContact N-O 3.34Å; G120-Q191 VanDerWaalsContact N-O 3.15Å; N121-Q191 WeakPolarHBondContact CB-O 3.36Å; N121-Q191 PolarHBondContact N-O 3.2Å; N121-Q191 VanDerWaalsContact N-O 3.08Å; W147-Q191 HydrophobicContact CE3-CB 4.17Å; N150-Q191 WeakPolarHBondContact OD1-CB 3.43Å; N150-Q191 WeakPolarHBondContact OD1-CG 3.49Å; Q191-T202 VanDerWaalsContact OE1-CG2 3.29Å; Q191-T202 PolarHBondContact OE1-OG1 3.2Å
192E92.4Very high93.7Very high101 Ų10140.3 Ų40.347%0.47220%0.199SC..  trans-71.3143.3174.8-173.1173.7-165.900111.1G149 N150 G194G149-E192 PolarHBondContact O-N 3.44Å; N150-E192 PolarHBondContact ND2-O 3.2Å; N150-E192 PolarHBondContact OD1-N 3.18Å; N150-E192 PolarHBondContact OD1-O 3.41Å; N150-E192 VanDerWaalsContact OD1-O 3.05Å; E192-G194 PolarHBondContact O-N 2.84Å; E192-G194 VanDerWaalsContact O-N 3.16Å
193W89.8Confident93.8Very high164 Ų16435.4 Ų35.462%0.62118%0.178SC*.  trans-57.3119.8-177.3-177.879.9000112Y90 D119Y90-W193 AromaticContact CD2-CD1 3.99Å; Y90-W193 AromaticContact CE1-NE1 3.88Å; Y90-W193 AromaticContact CE2-CD1 3.4Å; Y90-W193 HydrophobicContact CE2-CG 4.49Å; Y90-W193 AromaticContact CE2-NE1 3.87Å; Y90-W193 AromaticContact CZ-CD1 3.55Å; Y90-W193 AromaticContact CZ-NE1 3.56Å; D119-W193 WeakPolarHBondContact OD1-CA 3.29Å
194G86.9Confident94Very high32 Ų3232.3 Ų32.333%0.3315%0.146SC..  trans-140.2-1.7-178.400000114.4D119 E192D119-G194 PolarHBondContact OD1-N 2.93Å; E192-G194 PolarHBondContact O-N 2.84Å; E192-G194 VanDerWaalsContact O-N 3.16Å
195G88.8Confident94.1Very high20 Ų2030.9 Ų30.921%0.20614%0.143CC..  trans88.6166.5-176.500000112.9D119 R197 E198 V199D119-G195 PolarHBondContact OD1-N 3.47Å; D119-G195 VanDerWaalsContact OD2-C 3.3Å; D119-G195 WeakPolarHBondContact OD2-CA 3.28Å; D119-G195 PolarHBondContact OD2-N 3.1Å; G195-R197 PolarHBondContact O-N 2.85Å; G195-E198 WeakPolarHBondContact O-CB 3.39Å; G195-E198 PolarHBondContact O-N 2.92Å; G195-V199 PolarHBondContact O-N 2.83Å
196K89.9Confident94.3Very high55 Ų5525 Ų2524%0.23912%0.121CC..Hα-helixtrans-49-39.4-177.7-171.5-177.7-175.3-1750113.3A88 E198 V199 M200 D218 D320A88-K196 HydrophobicContact CB-CG 4.39Å; K196-E198 PolarHBondContact O-N 3.1Å; K196-V199 WeakPolarHBondContact O-CB 3.43Å; K196-V199 PolarHBondContact O-N 2.98Å; K196-M200 HydrophobicContact CD-SD 4.35Å; K196-M200 HydrophobicContact CG-CG 4.43Å; K196-M200 HydrophobicContact CG-SD 4.03Å; K196-M200 WeakPolarHBondContact O-CG 3.23Å; K196-M200 PolarHBondContact O-N 3.14Å; K196-D218 WeakPolarHBondContact CE-OD1 3.16Å; K196-D218 IonicContact NZ-OD1 3.31Å; K196-D218 PolarHBondContact NZ-OD1 3.48Å; K196-D218 IonicContact NZ-OD2 3.33Å; K196-D320 IonicContact NZ-OD1 3.64Å; K196-D320 PolarHBondContact NZ-OD1 2.78Å; K196-D320 IonicContact NZ-OD2 2.69Å
197R91.4Very high94.3Very high10 Ų1023.7 Ų23.74%0.03812%0.115CC..Hα-helixtrans-62.4-40.3178.4-167.5166.2-62.8-164.6-1.7113.3G195 Y201 W305 Y306 Q308 D319G195-R197 PolarHBondContact O-N 2.85Å; R197-Y201 VanDerWaalsContact O-CB 3.28Å; R197-Y201 WeakPolarHBondContact O-CB 3.37Å; R197-Y201 PolarHBondContact O-N 2.83Å; R197-W305 HydrophobicContact CG-CH2 3.83Å; R197-W305 HydrophobicContact CG-CZ2 4.12Å; R197-W305 HydrophobicContact CG-CZ3 4.16Å; R197-W305 PolarHBondContact NH1-O 2.85Å; R197-Y306 HydrophobicContact CG-CD2 3.93Å; R197-Y306 HydrophobicContact CG-CE2 4.4Å; R197-Q308 VanDerWaalsContact NH2-OE1 3.13Å; R197-D319 WeakPolarHBondContact CB-OD1 3.39Å; R197-D319 IonicContact CZ-OD1 3.49Å; R197-D319 IonicContact NE-OD1 2.66Å; R197-D319 PolarHBondContact NE-OD1 2.88Å; R197-D319 IonicContact NH2-OD1 2.67Å; R197-D319 PolarHBondContact NH2-OD1 2.92Å
198E91.9Very high94.3Very high7 Ų724.2 Ų24.23%0.03312%0.121CC..Hα-helixtrans-63.9-46.6177.6-166.669.9-145.100110.6N150 H152 G195 K196 M200 Y201 T202 Y306N150-E198 HydrophobicContact CB-CG 4.2Å; H152-E198 IonicContact ND1-OE1 2.74Å; H152-E198 PolarHBondContact ND1-OE1 3.16Å; G195-E198 WeakPolarHBondContact O-CB 3.39Å; G195-E198 PolarHBondContact O-N 2.92Å; K196-E198 PolarHBondContact O-N 3.1Å; E198-M200 PolarHBondContact O-N 2.84Å; E198-Y201 WeakPolarHBondContact O-CB 3.45Å; E198-Y201 PolarHBondContact O-N 2.85Å; E198-T202 PolarHBondContact O-N 2.94Å; E198-T202 PolarHBondContact O-OG1 2.62Å; E198-Y306 WeakPolarHBondContact OE2-CE2 3.38Å; E198-Y306 PolarHBondContact OE2-OH 3.46Å
199V93.6Very high94.2Very high3 Ų330.5 Ų30.52%0.01816%0.155CC..Hα-helixtrans-57.8-49.2179.7178.50000111.2A88 V117 D119 G195 K196 T202 A203A88-V199 HydrophobicContact CB-CB 4.28Å; A88-V199 HydrophobicContact CB-CG1 3.51Å; V117-V199 HydrophobicContact CB-CG1 3.49Å; V117-V199 VanDerWaalsContact CB-CG1 3.49Å; V117-V199 HydrophobicContact CG1-CB 4.28Å; V117-V199 HydrophobicContact CG1-CG1 3.69Å; V117-V199 WeakPolarHBondContact O-CG1 3.44Å; D119-V199 HydrophobicContact CB-CG2 3.37Å; D119-V199 VanDerWaalsContact CG-CG2 3.47Å; G195-V199 PolarHBondContact O-N 2.83Å; K196-V199 WeakPolarHBondContact O-CB 3.43Å; K196-V199 PolarHBondContact O-N 2.98Å; V199-T202 PolarHBondContact O-N 2.78Å; V199-A203 PolarHBondContact O-N 3.03Å
200M95.5Very high94.1Very high11 Ų1132.7 Ų32.75%0.05417%0.17CC..Hα-helixtrans-63.8-42.6176.4-71.3177.574.300111.5K196 E198 T202 A203 F204 V216 W305 D319 L323K196-M200 HydrophobicContact CD-SD 4.35Å; K196-M200 HydrophobicContact CG-CG 4.43Å; K196-M200 HydrophobicContact CG-SD 4.03Å; K196-M200 WeakPolarHBondContact O-CG 3.23Å; K196-M200 PolarHBondContact O-N 3.14Å; E198-M200 PolarHBondContact O-N 2.84Å; M200-T202 PolarHBondContact O-N 2.89Å; M200-A203 PolarHBondContact O-N 3.33Å; M200-F204 HydrophobicContact CB-CE2 4.05Å; M200-F204 HydrophobicContact CB-CZ 4.13Å; M200-F204 HydrophobicContact CE-CE2 4.04Å; M200-F204 HydrophobicContact CE-CZ 3.69Å; M200-F204 WeakPolarHBondContact O-CD1 3.26Å; M200-F204 WeakPolarHBondContact O-CD2 3.32Å; M200-F204 WeakPolarHBondContact O-CG 3.39Å; M200-F204 PolarHBondContact O-N 3.4Å; M200-V216 HydrophobicContact CE-CG1 3.98Å; M200-W305 HydrophobicContact CB-CH2 3.75Å; M200-W305 HydrophobicContact CE-CZ2 4.31Å; M200-W305 HydrophobicContact SD-CZ2 4.48Å; M200-D319 HydrophobicContact SD-CB 4.07Å; M200-L323 HydrophobicContact CE-CD2 4.12Å
201Y95.7Very high94.2Very high10 Ų1033.2 Ų33.24%0.03917%0.174CC..Hα-helixtrans-60.5-46.1176.8-179.1-88.2000112.1F151 H152 R197 E198 A203 F204 K205 L302 E303 W305 Y306F151-Y201 HydrophobicContact CB-CD1 3.99Å; F151-Y201 HydrophobicContact CB-CE1 3.58Å; F151-Y201 HydrophobicContact CG-CE1 4.13Å; H152-Y201 AromaticContact CE1-CD1 3.3Å; H152-Y201 WeakPolarHBondContact CE1-CD1 3.47Å; H152-Y201 AromaticContact CE1-CD2 3.75Å; H152-Y201 AromaticContact CE1-CE1 3.02Å; H152-Y201 WeakPolarHBondContact CE1-CE1 3.46Å; H152-Y201 AromaticContact CE1-CE2 3.43Å; H152-Y201 VanDerWaalsContact CE1-CE2 3.43Å; H152-Y201 WeakPolarHBondContact CE1-CE2 3.47Å; H152-Y201 AromaticContact CE1-CG 3.66Å; H152-Y201 AromaticContact CE1-CZ 3.06Å; H152-Y201 AromaticContact ND1-CD1 3.65Å; H152-Y201 AromaticContact ND1-CE1 3.55Å; H152-Y201 AromaticContact NE2-CE1 3.95Å; H152-Y201 AromaticContact NE2-CE2 3.93Å; H152-Y201 AromaticContact NE2-CZ 3.6Å; R197-Y201 VanDerWaalsContact O-CB 3.28Å; R197-Y201 WeakPolarHBondContact O-CB 3.37Å; R197-Y201 PolarHBondContact O-N 2.83Å; E198-Y201 WeakPolarHBondContact O-CB 3.45Å; E198-Y201 PolarHBondContact O-N 2.85Å; Y201-A203 VanDerWaalsContact C-N 3.29Å; Y201-A203 PolarHBondContact O-N 2.93Å; Y201-F204 PolarHBondContact O-N 2.93Å; Y201-K205 HydrophobicContact CD1-CB 4.2Å; Y201-K205 HydrophobicContact CE1-CB 3.85Å; Y201-K205 HydrophobicContact CE1-CD 4.28Å; Y201-K205 HydrophobicContact CE1-CG 3.95Å; Y201-K205 WeakPolarHBondContact O-CB 3.42Å; Y201-K205 PolarHBondContact O-N 3.47Å; Y201-L302 HydrophobicContact CD2-CD1 3.69Å; Y201-L302 HydrophobicContact CD2-CD2 4.33Å; Y201-L302 HydrophobicContact CD2-CG 3.83Å; Y201-L302 HydrophobicContact CE2-CD1 4.1Å; Y201-L302 HydrophobicContact CE2-CD2 4.07Å; Y201-L302 HydrophobicContact CE2-CG 3.68Å; Y201-E303 WeakPolarHBondContact CE2-OE2 3.49Å; Y201-E303 PolarHBondContact OH-OE1 3.47Å; Y201-E303 PolarHBondContact OH-OE2 2.95Å; Y201-W305 HydrophobicContact CD2-CZ3 4.42Å; Y201-Y306 HydrophobicContact CD1-CD2 4.46Å; Y201-Y306 AromaticContact CD2-CD2 3.64Å; Y201-Y306 HydrophobicContact CD2-CD2 3.64Å; Y201-Y306 AromaticContact CD2-CG 3.68Å; Y201-Y306 HydrophobicContact CD2-CG 3.68Å; Y201-Y306 HydrophobicContact CE2-CD2 4.4Å; Y201-Y306 HydrophobicContact CE2-CG 4.05Å; Y201-Y306 AromaticContact CG-CD2 3.63Å; Y201-Y306 HydrophobicContact CG-CD2 3.63Å; Y201-Y306 HydrophobicContact CG-CE2 4.18Å; Y201-Y306 HydrophobicContact CG-CG 4.12Å
202T95.9Very high94.3Very high0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-55.1-46.8176.3-68.70000111.1V117 W147 F151 V177 V189 Q191 E198 V199 M200 A206V117-T202 HydrophobicContact CG1-CG2 4.05Å; V117-T202 HydrophobicContact CG2-CG2 4.37Å; W147-T202 HydrophobicContact CZ3-CG2 4.19Å; F151-T202 HydrophobicContact CD2-CG2 4Å; F151-T202 HydrophobicContact CE2-CG2 3.8Å; V177-T202 HydrophobicContact CG1-CG2 4.32Å; V189-T202 HydrophobicContact CG1-CG2 4.42Å; Q191-T202 VanDerWaalsContact OE1-CG2 3.29Å; Q191-T202 PolarHBondContact OE1-OG1 3.2Å; E198-T202 PolarHBondContact O-N 2.94Å; E198-T202 PolarHBondContact O-OG1 2.62Å; V199-T202 PolarHBondContact O-N 2.78Å; M200-T202 PolarHBondContact O-N 2.89Å; T202-A206 WeakPolarHBondContact O-CB 3.34Å; T202-A206 PolarHBondContact O-N 2.92Å
203A97.1Very high94.6Very high2 Ų231.4 Ų31.42%0.01717%0.167CC..Hα-helixtrans-61.9-48.8177.300000111.8C86 V115 V117 V199 M200 Y201 L207C86-A203 HydrophobicContact CB-CB 3.99Å; V115-A203 HydrophobicContact CG1-CB 4.26Å; V117-A203 HydrophobicContact CG2-CB 3.92Å; V199-A203 PolarHBondContact O-N 3.03Å; M200-A203 PolarHBondContact O-N 3.33Å; Y201-A203 VanDerWaalsContact C-N 3.29Å; Y201-A203 PolarHBondContact O-N 2.93Å; A203-L207 WeakPolarHBondContact O-CB 3.43Å; A203-L207 WeakPolarHBondContact O-CD1 3.16Å; A203-L207 VanDerWaalsContact O-CG 3.25Å; A203-L207 WeakPolarHBondContact O-CG 3.3Å; A203-L207 PolarHBondContact O-N 3.29Å
204F97.6Very high95Very high0 Ų023.6 Ų23.60%014%0.137CC..Hα-helixtrans-65.2-43.2-177.7-59.3-16.5000112.3C86 M200 Y201 G208 V214 V216 L298 Q299 L302 W305 L323C86-F204 HydrophobicContact CB-CE1 4.35Å; M200-F204 HydrophobicContact CB-CE2 4.05Å; M200-F204 HydrophobicContact CB-CZ 4.13Å; M200-F204 HydrophobicContact CE-CE2 4.04Å; M200-F204 HydrophobicContact CE-CZ 3.69Å; M200-F204 WeakPolarHBondContact O-CD1 3.26Å; M200-F204 WeakPolarHBondContact O-CD2 3.32Å; M200-F204 WeakPolarHBondContact O-CG 3.39Å; M200-F204 PolarHBondContact O-N 3.4Å; Y201-F204 PolarHBondContact O-N 2.93Å; F204-G208 PolarHBondContact O-N 3.16Å; F204-G208 VanDerWaalsContact O-N 3.1Å; F204-V214 HydrophobicContact CD1-CG1 3.77Å; F204-V214 HydrophobicContact CE1-CG1 3.49Å; F204-V214 VanDerWaalsContact CE1-CG1 3.49Å; F204-V214 HydrophobicContact CZ-CG1 4.5Å; F204-V216 HydrophobicContact CE1-CG1 3.91Å; F204-V216 HydrophobicContact CZ-CG1 3.7Å; F204-L298 HydrophobicContact CB-CD2 4.26Å; F204-L298 HydrophobicContact CD1-CD2 3.91Å; F204-L298 HydrophobicContact CD2-CD1 3.99Å; F204-L298 HydrophobicContact CD2-CD2 4.05Å; F204-L298 HydrophobicContact CD2-CG 4.34Å; F204-L298 HydrophobicContact CE1-CD2 4.24Å; F204-L298 HydrophobicContact CE2-CD1 4.03Å; F204-L298 HydrophobicContact CE2-CD2 4.35Å; F204-L298 HydrophobicContact CG-CD2 3.81Å; F204-L298 HydrophobicContact CG-CG 4.46Å; F204-L298 HydrophobicContact CZ-CD2 4.44Å; F204-Q299 PolarHBondContact O-NE2 3.36Å; F204-L302 HydrophobicContact CB-CD1 3.72Å; F204-L302 HydrophobicContact CB-CD2 4.15Å; F204-L302 HydrophobicContact CD2-CD1 3.75Å; F204-L302 HydrophobicContact CG-CD1 4.25Å; F204-W305 HydrophobicContact CD2-CH2 4.27Å; F204-W305 HydrophobicContact CD2-CZ3 4.08Å; F204-W305 AromaticContact CE2-CH2 3.93Å; F204-W305 HydrophobicContact CE2-CH2 3.93Å; F204-W305 HydrophobicContact CE2-CZ2 4.4Å; F204-W305 HydrophobicContact CE2-CZ3 4.18Å; F204-L323 HydrophobicContact CE2-CD2 4.42Å; F204-L323 HydrophobicContact CZ-CD2 4.44Å
205K96.8Very high95.6Very high80 Ų8022.1 Ų22.135%0.34812%0.122SC..Hα-helixtrans-68.2-42.8179.4-168.969.1172.1-169.30111.6F151 Y201 L207 G208 L302 E303F151-K205 HydrophobicContact CD1-CG 3.83Å; F151-K205 HydrophobicContact CD2-CB 4.39Å; F151-K205 HydrophobicContact CE1-CB 4.41Å; F151-K205 HydrophobicContact CE1-CG 3.77Å; F151-K205 HydrophobicContact CE2-CB 4.27Å; F151-K205 HydrophobicContact CE2-CG 4.48Å; F151-K205 HydrophobicContact CG-CG 4.23Å; F151-K205 HydrophobicContact CZ-CB 4.29Å; F151-K205 HydrophobicContact CZ-CG 4.12Å; Y201-K205 HydrophobicContact CD1-CB 4.2Å; Y201-K205 HydrophobicContact CE1-CB 3.85Å; Y201-K205 HydrophobicContact CE1-CD 4.28Å; Y201-K205 HydrophobicContact CE1-CG 3.95Å; Y201-K205 WeakPolarHBondContact O-CB 3.42Å; Y201-K205 PolarHBondContact O-N 3.47Å; K205-L207 VanDerWaalsContact C-N 3.34Å; K205-G208 PolarHBondContact O-N 2.89Å; K205-L302 HydrophobicContact CB-CD2 4.23Å; K205-L302 HydrophobicContact CD-CD2 4.02Å; K205-E303 IonicContact NZ-OE1 3.14Å; K205-E303 PolarHBondContact NZ-OE1 3.32Å
206A96.9Very high96Very high0 Ų021.5 Ų21.50%011%0.114CC..Hα-helixtrans-65.8-37177.900000112.3F151 V177 V181 K182 T202F151-A206 HydrophobicContact CE2-CB 4.36Å; F151-A206 HydrophobicContact CZ-CB 4.27Å; V177-A206 HydrophobicContact CG1-CB 4Å; V181-A206 HydrophobicContact CB-CB 3.95Å; V181-A206 HydrophobicContact CG1-CB 4.07Å; V181-A206 HydrophobicContact CG2-CB 3.88Å; K182-A206 WeakPolarHBondContact CE-O 3.42Å; T202-A206 WeakPolarHBondContact O-CB 3.34Å; T202-A206 PolarHBondContact O-N 2.92Å
207L97.4Very high96.3Very high0 Ų019 Ų190%010%0.103CC..Hα-helixtrans-64.9-42.1173.2-75.5166.4000111.7A84 C86 K113 V115 V181 K182 A203 K205 D209 S210 V211 V214A84-L207 HydrophobicContact CB-CD1 3.59Å; A84-L207 HydrophobicContact CB-CD2 3.65Å; A84-L207 HydrophobicContact CB-CG 4.3Å; C86-L207 VanDerWaalsContact SG-CD1 3.56Å; K113-L207 HydrophobicContact CD-CD2 3.9Å; V115-L207 HydrophobicContact CG2-CD2 4.32Å; V181-L207 HydrophobicContact CG1-CD2 3.66Å; V181-L207 HydrophobicContact CG1-CG 3.84Å; K182-L207 VanDerWaalsContact CE-O 3.31Å; K182-L207 WeakPolarHBondContact CE-O 3.43Å; A203-L207 WeakPolarHBondContact O-CB 3.43Å; A203-L207 WeakPolarHBondContact O-CD1 3.16Å; A203-L207 VanDerWaalsContact O-CG 3.25Å; A203-L207 WeakPolarHBondContact O-CG 3.3Å; A203-L207 PolarHBondContact O-N 3.29Å; K205-L207 VanDerWaalsContact C-N 3.34Å; L207-D209 PolarHBondContact O-N 3.3Å; L207-S210 VanDerWaalsContact O-CB 3.23Å; L207-S210 WeakPolarHBondContact O-CB 3.27Å; L207-S210 PolarHBondContact O-N 3.49Å; L207-S210 VanDerWaalsContact O-N 3.09Å; L207-S210 PolarHBondContact O-OG 3.27Å; L207-V211 HydrophobicContact CD2-CG1 4.49Å; L207-V211 HydrophobicContact CD2-CG2 4.4Å; L207-V214 HydrophobicContact CD1-CG2 4.13Å
208G96.3Very high96.5Very high12 Ų1220 Ų2012%0.12411%0.11CC..THydrogen-bonded Turntrans49.9-136-172.400000110.5F204 K205 S210 N295 Q299F204-G208 PolarHBondContact O-N 3.16Å; F204-G208 VanDerWaalsContact O-N 3.1Å; K205-G208 PolarHBondContact O-N 2.89Å; G208-S210 VanDerWaalsContact C-N 3.29Å; G208-S210 PolarHBondContact O-N 3.29Å; G208-N295 PolarHBondContact O-ND2 3.35Å; G208-Q299 PolarHBondContact O-NE2 3.43Å
209D95.6Very high96.6Very high131 Ų13120 Ų2070%0.70111%0.11SC*.THydrogen-bonded Turntrans-87.818.5178.4-57.4-44.8000114.5L207 V211L207-D209 PolarHBondContact O-N 3.3Å; D209-V211 PolarHBondContact O-N 2.95Å
210S96.5Very high96.6Very high47 Ų4720.2 Ų20.233%0.32911%0.111SC..SBendtrans-73.8-9.5-174.765.70000115.4L207 G208L207-S210 VanDerWaalsContact O-CB 3.23Å; L207-S210 WeakPolarHBondContact O-CB 3.27Å; L207-S210 PolarHBondContact O-N 3.49Å; L207-S210 VanDerWaalsContact O-N 3.09Å; L207-S210 PolarHBondContact O-OG 3.27Å; G208-S210 VanDerWaalsContact C-N 3.29Å; G208-S210 PolarHBondContact O-N 3.29Å
211V97.4Very high96.7Very high13 Ų1319.7 Ų19.78%0.07911%0.109CC..  trans-137.5156.7177.9-64.60000111.2S82 A84 L207 D209 Y213 V214 N295S82-V211 VanDerWaalsContact OG-CA 3.27Å; S82-V211 WeakPolarHBondContact OG-CA 3.36Å; A84-V211 HydrophobicContact CB-CB 4.48Å; A84-V211 HydrophobicContact CB-CG1 4.06Å; A84-V211 HydrophobicContact CB-CG2 3.93Å; L207-V211 HydrophobicContact CD2-CG1 4.49Å; L207-V211 HydrophobicContact CD2-CG2 4.4Å; D209-V211 PolarHBondContact O-N 2.95Å; V211-Y213 WeakPolarHBondContact CG2-O 3.24Å; V211-V214 HydrophobicContact CG2-CG2 4.06Å; V211-N295 VanDerWaalsContact O-CB 3.31Å; V211-N295 WeakPolarHBondContact O-CB 3.28Å; V211-N295 PolarHBondContact O-ND2 2.93Å
212D97.5Very high96.7Very high60 Ų6019.6 Ų19.632%0.32111%0.109SC..SBendtrans-76.3-36.2176.7-59.9-70.2000111.7R81 S82 N295R81-D212 IonicContact NH1-OD1 3.99Å; S82-D212 PolarHBondContact N-OD2 3.46Å; S82-D212 WeakPolarHBondContact O-CB 3.34Å; S82-D212 PolarHBondContact O-N 2.99Å; S82-D212 VanDerWaalsContact O-N 3.13Å; S82-D212 PolarHBondContact OG-N 3.18Å; S82-D212 PolarHBondContact OG-OD2 2.96Å; D212-N295 VanDerWaalsContact O-CB 3.25Å; D212-N295 WeakPolarHBondContact O-CB 3.12Å; D212-N295 PolarHBondContact O-N 3.38Å
213Y98.3Very high96.8Very high3 Ų319.8 Ų19.81%0.01211%0.11CC..EExtended strand (participates in β ladder)trans-135.6145.4-172.5-64.7-79.3000112.7R81 S82 V83 A84 V211 L232 L235 E236 M292 Y293 R294R81-Y213 HydrophobicContact CB-CD2 4.13Å; R81-Y213 HydrophobicContact CB-CE2 4.06Å; R81-Y213 HydrophobicContact CG-CE2 3.98Å; S82-Y213 PolarHBondContact O-N 2.69Å; S82-Y213 VanDerWaalsContact O-N 3.13Å; V83-Y213 WeakPolarHBondContact CA-O 3.43Å; A84-Y213 PolarHBondContact N-O 2.64Å; V211-Y213 WeakPolarHBondContact CG2-O 3.24Å; Y213-L232 HydrophobicContact CD2-CD1 3.43Å; Y213-L232 VanDerWaalsContact CD2-CD1 3.43Å; Y213-L232 HydrophobicContact CE1-CD1 4.49Å; Y213-L232 HydrophobicContact CE2-CD1 3.35Å; Y213-L232 HydrophobicContact CG-CD1 4.08Å; Y213-L235 HydrophobicContact CD1-CD1 3.69Å; Y213-L235 HydrophobicContact CE1-CB 3.75Å; Y213-L235 HydrophobicContact CE1-CD1 3.74Å; Y213-L235 HydrophobicContact CE1-CD2 4.39Å; Y213-L235 HydrophobicContact CE1-CG 4.17Å; Y213-E236 PolarHBondContact OH-OE1 3.47Å; Y213-M292 HydrophobicContact CD1-SD 4.42Å; Y213-M292 HydrophobicContact CG-SD 4.34Å; Y213-Y293 WeakPolarHBondContact CA-O 3.29Å; Y213-R294 HydrophobicContact CD1-CG 4.27Å; Y213-R294 HydrophobicContact CE1-CB 4.47Å; Y213-R294 HydrophobicContact CE1-CG 3.64Å; Y213-R294 PolarHBondContact OH-NH1 2.67Å
214V98.6Very high96.7Very high0 Ų020.2 Ų20.20%011%0.112CC..EExtended strand (participates in β ladder)trans-119.2118.1174.2179.50000109.3A84 F204 L207 V211 M292 Y293 N295 L298A84-V214 CarbonylContact O-C 3.54Å; A84-V214 WeakPolarHBondContact O-CA 3.29Å; F204-V214 HydrophobicContact CD1-CG1 3.77Å; F204-V214 HydrophobicContact CE1-CG1 3.49Å; F204-V214 VanDerWaalsContact CE1-CG1 3.49Å; F204-V214 HydrophobicContact CZ-CG1 4.5Å; L207-V214 HydrophobicContact CD1-CG2 4.13Å; V211-V214 HydrophobicContact CG2-CG2 4.06Å; V214-M292 CarbonylContact O-C 3.56Å; V214-M292 WeakPolarHBondContact O-CA 3.31Å; V214-Y293 PolarHBondContact N-O 2.87Å; V214-Y293 PolarHBondContact O-N 2.85Å; V214-N295 HydrophobicContact CG2-CB 4.02Å; V214-N295 WeakPolarHBondContact CG2-OD1 3.08Å; V214-L298 HydrophobicContact CB-CD2 3.89Å; V214-L298 HydrophobicContact CG1-CD2 4.19Å; V214-L298 HydrophobicContact CG2-CD2 3.87Å
215Q98.6Very high96.6Very high0 Ų021.5 Ų21.50%012%0.121CC..EExtended strand (participates in β ladder)trans-94.4139.7169.8-173.2178.5-3300109.4V83 A84 L85 C86 T228 M231 G291 M292V83-Q215 HydrophobicContact CG1-CB 4.34Å; A84-Q215 PolarHBondContact O-N 2.66Å; L85-Q215 CarbonylContact C-O 3.53Å; L85-Q215 WeakPolarHBondContact CA-O 3.21Å; L85-Q215 HydrophobicContact CD1-CB 3.84Å; L85-Q215 HydrophobicContact CD1-CG 3.56Å; C86-Q215 PolarHBondContact N-O 3.19Å; Q215-T228 PolarHBondContact OE1-OG1 3.27Å; Q215-M231 VanDerWaalsContact CD-CE 3.48Å; Q215-M231 HydrophobicContact CG-CE 3.84Å; Q215-G291 CarbonylContact C-O 3.57Å; Q215-G291 VanDerWaalsContact CA-O 3.24Å; Q215-G291 WeakPolarHBondContact CA-O 3.39Å; Q215-G291 WeakPolarHBondContact CG-O 3.41Å; Q215-M292 HydrophobicContact CB-CB 4.46Å; Q215-M292 HydrophobicContact CB-CE 4.11Å; Q215-M292 HydrophobicContact CB-CG 4.4Å; Q215-M292 HydrophobicContact CG-CE 4.41Å
216V97.8Very high96.5Very high7 Ų719.2 Ų19.24%0.04212%0.117CC..EExtended strand (participates in β ladder)trans-112.4146.3175.5-61.50000110.1C86 M200 F204 G288 G291 Y293C86-V216 WeakPolarHBondContact O-CA 3.33Å; M200-V216 HydrophobicContact CE-CG1 3.98Å; F204-V216 HydrophobicContact CE1-CG1 3.91Å; F204-V216 HydrophobicContact CZ-CG1 3.7Å; V216-G288 CarbonylContact C-O 3.54Å; V216-G291 PolarHBondContact N-O 3.19Å; V216-G291 PolarHBondContact O-N 2.97Å; V216-Y293 HydrophobicContact CG2-CE2 4.1Å
217C96.5Very high96.4Very high3 Ų319.2 Ų19.22%0.0212%0.117CC..EExtended strand (participates in β ladder)trans-147.6141.6177.2-177.40000110.2L85 C86 I87 A88 L223 G288L85-C217 HydrophobicContact CD1-CB 3.82Å; C86-C217 PolarHBondContact O-N 3.35Å; I87-C217 WeakPolarHBondContact CA-O 3.15Å; I87-C217 HydrophobicContact CG1-CB 4.33Å; A88-C217 PolarHBondContact N-O 3.48Å; C217-L223 HydrophobicContact CB-CD1 4.38Å; C217-G288 WeakPolarHBondContact CA-O 3.33Å
218D94.9Very high96.4Very high32 Ų3219.2 Ų19.217%0.17112%0.117CC..EExtended strand (participates in β ladder)trans-81.9142.7169.1-69.8-16.6000109.1K196 D220 T221 P289K196-D218 WeakPolarHBondContact CE-OD1 3.16Å; K196-D218 IonicContact NZ-OD1 3.31Å; K196-D218 PolarHBondContact NZ-OD1 3.48Å; K196-D218 IonicContact NZ-OD2 3.33Å; D218-D220 WeakPolarHBondContact CB-OD1 3.41Å; D218-D220 PolarHBondContact O-N 2.87Å; D218-D220 VanDerWaalsContact O-N 3.07Å; D218-T221 VanDerWaalsContact O-CB 3.26Å; D218-T221 WeakPolarHBondContact O-CB 3.49Å; D218-T221 PolarHBondContact O-N 2.87Å; D218-T221 VanDerWaalsContact O-N 3.1Å; D218-T221 PolarHBondContact O-OG1 3.4Å; D218-P289 HydrophobicContact CB-CG 4.4Å; D218-P289 WeakPolarHBondContact OD2-CD 3.5Å
219S94.8Very high96.3Very high5 Ų520.5 Ų20.54%0.03512%0.12CC..THydrogen-bonded Turntrans-60.2-15.4-176.850.60000115.6A88 E92 C100A88-S219 VanDerWaalsContact O-CB 3.24Å; A88-S219 WeakPolarHBondContact O-CB 3.47Å; A88-S219 PolarHBondContact O-N 3.49Å; A88-S219 PolarHBondContact O-OG 2.68Å; E92-S219 WeakPolarHBondContact CG-OG 3.44Å; E92-S219 PolarHBondContact OE1-OG 2.92Å; C100-S219 WeakPolarHBondContact CB-O 3.37Å
220D93.5Very high96.3Very high8 Ų815.2 Ų15.24%0.0439%0.091CC..THydrogen-bonded Turntrans-98.610.6179.369.8-13.8000113.3D218 T344 E345 R474D218-D220 WeakPolarHBondContact CB-OD1 3.41Å; D218-D220 PolarHBondContact O-N 2.87Å; D218-D220 VanDerWaalsContact O-N 3.07Å; D220-T344 PolarHBondContact OD1-OG1 3.41Å; D220-T344 VanDerWaalsContact OD1-OG1 3.1Å; D220-T344 PolarHBondContact OD2-OG1 3.21Å; D220-E345 HydrophobicContact CB-CB 4.28Å; D220-R474 IonicContact OD2-CZ 3.08Å; D220-R474 IonicContact OD2-NH1 3.67Å; D220-R474 PolarHBondContact OD2-NH1 3.22Å; D220-R474 IonicContact OD2-NH2 3.76Å; D220-R474 PolarHBondContact OD2-NH2 2.93Å
221T96.1Very high96.3Very high0 Ų013 Ų130%08%0.076CC..EExtended strand (participates in β ladder)trans-109130.5-170.2-61.10000111.9C100 D218 L223 P289 C342 Q343 T344C100-T221 WeakPolarHBondContact CA-O 3.35Å; C100-T221 WeakPolarHBondContact CB-O 3.41Å; C100-T221 PolarHBondContact SG-O 3.47Å; D218-T221 VanDerWaalsContact O-CB 3.26Å; D218-T221 WeakPolarHBondContact O-CB 3.49Å; D218-T221 PolarHBondContact O-N 2.87Å; D218-T221 VanDerWaalsContact O-N 3.1Å; D218-T221 PolarHBondContact O-OG1 3.4Å; T221-L223 HydrophobicContact CG2-CD2 4.07Å; T221-P289 HydrophobicContact CG2-CB 3.91Å; T221-P289 WeakPolarHBondContact OG1-CB 3.45Å; T221-C342 HydrophobicContact CG2-CB 3.56Å; T221-C342 VanDerWaalsContact CG2-SG 3.58Å; T221-Q343 CarbonylContact C-O 3.54Å; T221-Q343 WeakPolarHBondContact CA-O 3.43Å; T221-T344 WeakPolarHBondContact OG1-CB 3.32Å; T221-T344 PolarHBondContact OG1-OG1 3.23Å
222V97Very high96.2Very high9 Ų912.3 Ų12.36%0.0557%0.072CC..EExtended strand (participates in β ladder)trans-95.6121.9172.9176.70000109.4K99 L251 C342 Q343 L553K99-V222 HydrophobicContact CB-CG2 3.9Å; V222-L251 HydrophobicContact CG2-CD2 4.03Å; V222-C342 CarbonylContact O-C 3.57Å; V222-C342 VanDerWaalsContact O-CA 3.24Å; V222-C342 WeakPolarHBondContact O-CA 3.36Å; V222-C342 VanDerWaalsContact O-CB 3.29Å; V222-C342 WeakPolarHBondContact O-CB 3.43Å; V222-Q343 PolarHBondContact N-O 3.43Å; V222-Q343 PolarHBondContact O-N 3.28Å; V222-L553 HydrophobicContact CB-CD2 4.35Å; V222-L553 HydrophobicContact CG1-CD1 4.01Å; V222-L553 HydrophobicContact CG1-CD2 3.65Å; V222-L553 HydrophobicContact CG1-CG 4.47Å
223L96.9Very high96Very high3 Ų311.9 Ų11.92%0.0167%0.067CC..EExtended strand (participates in β ladder)trans-95140.5-175.1-63.2177.8000112.1L85 S103 V104 I107 C217 T221 L290 C342L85-L223 HydrophobicContact CD1-CD1 4.42Å; L85-L223 HydrophobicContact CD2-CD1 3.84Å; S103-L223 PolarHBondContact OG-N 2.93Å; V104-L223 HydrophobicContact CG2-CD1 3.99Å; I107-L223 HydrophobicContact CD1-CB 4.46Å; I107-L223 HydrophobicContact CD1-CD1 3.82Å; C217-L223 HydrophobicContact CB-CD1 4.38Å; T221-L223 HydrophobicContact CG2-CD2 4.07Å; L223-L290 HydrophobicContact CD2-CD1 3.81Å; L223-C342 HydrophobicContact CD2-CB 3.7Å
224D95.8Very high95.9Very high12 Ų1213.1 Ų13.16%0.0648%0.075CC..PPolyproline II helixtrans-67.6139.5168173.3-98.1000111.1A226 C227 Q341 Y555D224-A226 PolarHBondContact O-N 3.13Å; D224-A226 VanDerWaalsContact O-N 3.1Å; D224-A226 VanDerWaalsContact OD1-CA 3.31Å; D224-A226 WeakPolarHBondContact OD1-CA 3.26Å; D224-A226 VanDerWaalsContact OD1-CB 3.32Å; D224-A226 WeakPolarHBondContact OD1-CB 3.34Å; D224-A226 PolarHBondContact OD1-N 3.17Å; D224-C227 HydrophobicContact CB-CB 4.24Å; D224-C227 VanDerWaalsContact O-CB 3.29Å; D224-C227 WeakPolarHBondContact O-CB 3.42Å; D224-C227 PolarHBondContact O-N 2.87Å; D224-C227 PolarHBondContact O-SG 3.25Å; D224-C227 PolarHBondContact OD1-N 2.81Å; D224-Q341 HydrophobicContact CB-CB 4.12Å; D224-Q341 WeakPolarHBondContact CB-O 3.4Å; D224-Q341 PolarHBondContact N-O 3.38Å; D224-Q341 VanDerWaalsContact N-O 3.08Å; D224-Y555 HydrophobicContact CB-CD2 4.46Å; D224-Y555 HydrophobicContact CB-CE2 4.31Å; D224-Y555 WeakPolarHBondContact OD2-CD1 3.31Å; D224-Y555 VanDerWaalsContact OD2-CD2 3.25Å; D224-Y555 WeakPolarHBondContact OD2-CD2 3.48Å; D224-Y555 WeakPolarHBondContact OD2-CE1 3.45Å; D224-Y555 WeakPolarHBondContact OD2-CE2 3.3Å; D224-Y555 PolarHBondContact OD2-OH 3.11Å
225P95.4Very high95.8Very high27 Ų2713.1 Ų13.118%0.1758%0.075CC..THydrogen-bonded Turntrans-54.9-30180-29.937.5000115.1S108S108-P225 PolarHBondContact N-O 2.94Å
226A94Very high95.6Very high32 Ų3215.2 Ų15.226%0.2648%0.084SC..THydrogen-bonded Turntrans-94.60.6-179.900000113.6D224 T228 I229 E230D224-A226 PolarHBondContact O-N 3.13Å; D224-A226 VanDerWaalsContact O-N 3.1Å; D224-A226 VanDerWaalsContact OD1-CA 3.31Å; D224-A226 WeakPolarHBondContact OD1-CA 3.26Å; D224-A226 VanDerWaalsContact OD1-CB 3.32Å; D224-A226 WeakPolarHBondContact OD1-CB 3.34Å; D224-A226 PolarHBondContact OD1-N 3.17Å; A226-T228 VanDerWaalsContact C-N 3.3Å; A226-T228 PolarHBondContact O-N 3.4Å; A226-I229 HydrophobicContact CB-CG2 4.08Å; A226-I229 WeakPolarHBondContact O-CG2 3.45Å; A226-I229 PolarHBondContact O-N 2.64Å; A226-E230 HydrophobicContact CB-CG 4.25Å; A226-E230 WeakPolarHBondContact O-CG 3.48Å; A226-E230 PolarHBondContact O-N 3.33Å
227C95.9Very high95.3Very high0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-56.6-41.9-172.274.80000113.3D224 M231 L290 S340D224-C227 HydrophobicContact CB-CB 4.24Å; D224-C227 VanDerWaalsContact O-CB 3.29Å; D224-C227 WeakPolarHBondContact O-CB 3.42Å; D224-C227 PolarHBondContact O-N 2.87Å; D224-C227 PolarHBondContact O-SG 3.25Å; D224-C227 PolarHBondContact OD1-N 2.81Å; C227-M231 WeakPolarHBondContact O-CE 3.38Å; C227-M231 PolarHBondContact O-N 3.02Å; C227-L290 HydrophobicContact CB-CD1 4.09Å; C227-L290 HydrophobicContact CB-CD2 4.47Å; C227-S340 VanDerWaalsContact CA-OG 3.28Å; C227-S340 WeakPolarHBondContact CA-OG 3.25Å; C227-S340 WeakPolarHBondContact CB-OG 3.48Å; C227-S340 PolarHBondContact O-OG 2.96Å
228T96.8Very high95.2Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-68.3-46.8-177.9-60.10000111.3V83 I107 F109 L112 Q215 A226 E230 M231 L232 M292V83-T228 HydrophobicContact CB-CG2 4.39Å; V83-T228 HydrophobicContact CG1-CG2 3.99Å; V83-T228 HydrophobicContact CG2-CG2 4.36Å; I107-T228 WeakPolarHBondContact CG2-OG1 3.31Å; F109-T228 HydrophobicContact CB-CG2 4.03Å; F109-T228 HydrophobicContact CD1-CG2 4.25Å; F109-T228 HydrophobicContact CD2-CG2 3.69Å; F109-T228 HydrophobicContact CE2-CG2 4.23Å; F109-T228 HydrophobicContact CG-CG2 3.7Å; L112-T228 HydrophobicContact CD1-CG2 4.26Å; Q215-T228 PolarHBondContact OE1-OG1 3.27Å; A226-T228 VanDerWaalsContact C-N 3.3Å; A226-T228 PolarHBondContact O-N 3.4Å; T228-E230 VanDerWaalsContact C-N 3.34Å; T228-E230 PolarHBondContact O-N 3.32Å; T228-M231 PolarHBondContact O-N 3Å; T228-L232 WeakPolarHBondContact O-CB 3.36Å; T228-L232 PolarHBondContact O-N 3.42Å; T228-M292 HydrophobicContact CG2-CE 3.75Å; T228-M292 WeakPolarHBondContact O-CE 3.24Å
229I94.6Very high95.2Very high39 Ų3926.7 Ų26.720%0.215%0.146CC..Hα-helixtrans-68.7-35.6-177.3-168.266000111.5L79 F109 A226 L232 K233L79-I229 HydrophobicContact CB-CD1 4.44Å; L79-I229 HydrophobicContact CD1-CD1 3.53Å; L79-I229 HydrophobicContact CD1-CG1 4.38Å; F109-I229 HydrophobicContact CD2-CB 4.3Å; F109-I229 HydrophobicContact CD2-CD1 4.04Å; F109-I229 HydrophobicContact CE2-CD1 3.87Å; A226-I229 HydrophobicContact CB-CG2 4.08Å; A226-I229 WeakPolarHBondContact O-CG2 3.45Å; A226-I229 PolarHBondContact O-N 2.64Å; I229-L232 HydrophobicContact CD1-CD2 4.35Å; I229-L232 PolarHBondContact O-N 3.18Å; I229-K233 WeakPolarHBondContact O-CG 3.21Å; I229-K233 PolarHBondContact O-N 2.87Å; I229-K233 VanDerWaalsContact O-N 3.08Å
230E94.9Very high95.3Very high19 Ų1930.7 Ų30.79%0.08917%0.165CC..Hα-helixtrans-69.5-37.2178.7-68.6-62.214600112.7A226 T228 K233 R339A226-E230 HydrophobicContact CB-CG 4.25Å; A226-E230 WeakPolarHBondContact O-CG 3.48Å; A226-E230 PolarHBondContact O-N 3.33Å; T228-E230 VanDerWaalsContact C-N 3.34Å; T228-E230 PolarHBondContact O-N 3.32Å; E230-K233 IonicContact OE1-NZ 3.78Å; E230-K233 PolarHBondContact OE1-NZ 2.92Å; E230-K233 IonicContact OE2-NZ 2.7Å; E230-R339 HydrophobicContact CB-CB 4.17Å; E230-R339 HydrophobicContact CG-CB 4.06Å; E230-R339 IonicContact OE1-CZ 3.35Å; E230-R339 IonicContact OE1-NE 2.98Å; E230-R339 IonicContact OE1-NH2 3.75Å; E230-R339 PolarHBondContact OE1-NH2 3.48Å; E230-R339 WeakPolarHBondContact OE2-CB 3.33Å; E230-R339 IonicContact OE2-CZ 2.85Å; E230-R339 IonicContact OE2-NE 3.2Å; E230-R339 PolarHBondContact OE2-NE 2.91Å; E230-R339 IonicContact OE2-NH2 3.16Å; E230-R339 PolarHBondContact OE2-NH2 2.91Å
231M96.6Very high95.5Very high0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-69.1-40.3171.3-76-171.7-64.700112.4Q215 C227 T228 K233 V234 L235 V244 L290 M292 T337 S340Q215-M231 VanDerWaalsContact CD-CE 3.48Å; Q215-M231 HydrophobicContact CG-CE 3.84Å; C227-M231 WeakPolarHBondContact O-CE 3.38Å; C227-M231 PolarHBondContact O-N 3.02Å; T228-M231 PolarHBondContact O-N 3Å; M231-K233 VanDerWaalsContact C-N 3.33Å; M231-K233 PolarHBondContact O-N 3.22Å; M231-V234 PolarHBondContact O-N 3.27Å; M231-L235 PolarHBondContact O-N 3.42Å; M231-V244 HydrophobicContact CB-CG1 3.62Å; M231-V244 HydrophobicContact CG-CG1 3.84Å; M231-V244 HydrophobicContact CG-CG2 4.43Å; M231-V244 HydrophobicContact SD-CG1 4.27Å; M231-L290 HydrophobicContact CE-CD1 3.39Å; M231-L290 HydrophobicContact CE-CG 4.06Å; M231-L290 HydrophobicContact SD-CD1 4.12Å; M231-L290 HydrophobicContact SD-CG 4.12Å; M231-M292 HydrophobicContact CB-CB 4.13Å; M231-M292 HydrophobicContact CB-CE 4Å; M231-M292 HydrophobicContact CB-SD 4.1Å; M231-M292 HydrophobicContact CE-CB 4.16Å; M231-M292 HydrophobicContact CE-CE 4.16Å; M231-M292 HydrophobicContact SD-CB 3.96Å; M231-T337 HydrophobicContact CG-CG2 4.24Å; M231-S340 WeakPolarHBondContact CG-OG 3.26Å
232L95.8Very high95.6Very high0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-60.8-41.9179.2-178.865000111.8L79 R81 F109 Y213 T228 I229 V234 L235 E236 M292L79-L232 HydrophobicContact CB-CD2 3.95Å; L79-L232 HydrophobicContact CD1-CD2 4.21Å; L79-L232 HydrophobicContact CD1-CG 4.48Å; L79-L232 HydrophobicContact CD2-CD2 4Å; L79-L232 HydrophobicContact CD2-CG 4.02Å; L79-L232 HydrophobicContact CG-CD2 4.28Å; R81-L232 HydrophobicContact CB-CD1 4.1Å; R81-L232 HydrophobicContact CB-CD2 4.07Å; R81-L232 HydrophobicContact CG-CD1 4.29Å; F109-L232 HydrophobicContact CE2-CD2 3.52Å; F109-L232 HydrophobicContact CZ-CD2 3.77Å; Y213-L232 HydrophobicContact CD2-CD1 3.43Å; Y213-L232 VanDerWaalsContact CD2-CD1 3.43Å; Y213-L232 HydrophobicContact CE1-CD1 4.49Å; Y213-L232 HydrophobicContact CE2-CD1 3.35Å; Y213-L232 HydrophobicContact CG-CD1 4.08Å; T228-L232 WeakPolarHBondContact O-CB 3.36Å; T228-L232 PolarHBondContact O-N 3.42Å; I229-L232 HydrophobicContact CD1-CD2 4.35Å; I229-L232 PolarHBondContact O-N 3.18Å; L232-V234 VanDerWaalsContact C-N 3.29Å; L232-V234 PolarHBondContact O-N 3.32Å; L232-L235 PolarHBondContact O-N 2.75Å; L232-E236 HydrophobicContact CD1-CG 4Å; L232-E236 HydrophobicContact CG-CG 4.26Å; L232-E236 PolarHBondContact O-N 2.97Å; L232-M292 HydrophobicContact CB-SD 4.4Å
233K94.3Very high95.7Very high51 Ų5130 Ų3022%0.22216%0.161CC..Hα-helixtrans-54.3-44.7175.8-73.8168.5-173.4172.70112.2A74 L79 I229 E230 M231 E236 E237A74-K233 HydrophobicContact CB-CD 3.98Å; L79-K233 HydrophobicContact CD1-CG 3.88Å; I229-K233 WeakPolarHBondContact O-CG 3.21Å; I229-K233 PolarHBondContact O-N 2.87Å; I229-K233 VanDerWaalsContact O-N 3.08Å; E230-K233 IonicContact OE1-NZ 3.78Å; E230-K233 PolarHBondContact OE1-NZ 2.92Å; E230-K233 IonicContact OE2-NZ 2.7Å; M231-K233 VanDerWaalsContact C-N 3.33Å; M231-K233 PolarHBondContact O-N 3.22Å; K233-E236 PolarHBondContact O-N 3.35Å; K233-E237 WeakPolarHBondContact O-CB 3.27Å; K233-E237 PolarHBondContact O-N 2.75Å
234V95Very high95.8Very high28 Ų2829.8 Ų29.817%0.1716%0.16CC..Hα-helixtrans-65.4-41.1179.9176.10000111.5M231 L232 V244 K335 T337M231-V234 PolarHBondContact O-N 3.27Å; L232-V234 VanDerWaalsContact C-N 3.29Å; L232-V234 PolarHBondContact O-N 3.32Å; V234-V244 HydrophobicContact CB-CG2 4.08Å; V234-V244 HydrophobicContact CG1-CB 4.29Å; V234-V244 HydrophobicContact CG1-CG2 3.84Å; V234-V244 HydrophobicContact CG2-CG2 4.43Å; V234-K335 HydrophobicContact CG1-CB 3.82Å; V234-K335 HydrophobicContact CG1-CG 4.2Å; V234-T337 HydrophobicContact CG2-CG2 4.1Å
235L95.8Very high95.9Very high0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-66.9-45.7177.8-76.4161.5000111Y213 M231 L232 E237 D238 V241 V244 M292 R294Y213-L235 HydrophobicContact CD1-CD1 3.69Å; Y213-L235 HydrophobicContact CE1-CB 3.75Å; Y213-L235 HydrophobicContact CE1-CD1 3.74Å; Y213-L235 HydrophobicContact CE1-CD2 4.39Å; Y213-L235 HydrophobicContact CE1-CG 4.17Å; M231-L235 PolarHBondContact O-N 3.42Å; L232-L235 PolarHBondContact O-N 2.75Å; L235-E237 VanDerWaalsContact C-N 3.32Å; L235-E237 PolarHBondContact O-N 3.2Å; L235-D238 CarbonylContact O-C 3.56Å; L235-D238 PolarHBondContact O-N 2.9Å; L235-D238 VanDerWaalsContact O-O 3.08Å; L235-V241 HydrophobicContact CD2-CB 4.43Å; L235-V241 HydrophobicContact CD2-CG1 3.87Å; L235-V241 WeakPolarHBondContact CD2-O 3.38Å; L235-V244 HydrophobicContact CD1-CG1 3.68Å; L235-V244 HydrophobicContact CD2-CG1 4.47Å; L235-V244 HydrophobicContact CG-CB 4.44Å; L235-V244 HydrophobicContact CG-CG1 3.79Å; L235-M292 HydrophobicContact CD1-CB 4.04Å; L235-M292 HydrophobicContact CD1-CG 3.63Å; L235-M292 HydrophobicContact CD1-SD 3.59Å; L235-M292 VanDerWaalsContact CD1-SD 3.59Å; L235-R294 HydrophobicContact CD2-CG 4.21Å; L235-R294 PolarHBondContact O-NH2 3.1Å
236E94.5Very high96Very high44 Ų4428.2 Ų28.221%0.20615%0.151CC..Hα-helixtrans-71.5-23-178.9-71.4-74.9107.900113.6L79 R81 Y213 L232 K233L79-E236 HydrophobicContact CD2-CB 3.92Å; L79-E236 HydrophobicContact CD2-CG 3.59Å; R81-E236 HydrophobicContact CG-CG 4.45Å; R81-E236 IonicContact CZ-OE1 3.94Å; R81-E236 IonicContact CZ-OE2 3.48Å; R81-E236 IonicContact NE-OE1 3.16Å; R81-E236 PolarHBondContact NE-OE1 3.26Å; R81-E236 IonicContact NE-OE2 3.94Å; R81-E236 PolarHBondContact NE-OE2 2.99Å; R81-E236 IonicContact NH2-OE1 3.89Å; R81-E236 IonicContact NH2-OE2 3.19Å; R81-E236 PolarHBondContact NH2-OE2 3.02Å; Y213-E236 PolarHBondContact OH-OE1 3.47Å; L232-E236 HydrophobicContact CD1-CG 4Å; L232-E236 HydrophobicContact CG-CG 4.26Å; L232-E236 PolarHBondContact O-N 2.97Å; K233-E236 PolarHBondContact O-N 3.35Å
237E92.5Very high96.2Very high150 Ų15026.9 Ų26.970%0.70114%0.14SC*.Hα-helixtrans-67.2-36.4175.7-174.3176.2-174.900113.4K233 L235K233-E237 WeakPolarHBondContact O-CB 3.27Å; K233-E237 PolarHBondContact O-N 2.75Å; L235-E237 VanDerWaalsContact C-N 3.32Å; L235-E237 PolarHBondContact O-N 3.2Å
238D94Very high96.2Very high40 Ų4027 Ų2721%0.21414%0.14CC..  trans-132.7111.1-179.9-177.5-3.2000111.2L235 M240 V241 R294 K333L235-D238 CarbonylContact O-C 3.56Å; L235-D238 PolarHBondContact O-N 2.9Å; L235-D238 VanDerWaalsContact O-O 3.08Å; D238-M240 PolarHBondContact O-N 2.89Å; D238-M240 VanDerWaalsContact O-N 3.09Å; D238-M240 VanDerWaalsContact OD1-CB 3.29Å; D238-M240 WeakPolarHBondContact OD1-CB 2.87Å; D238-M240 PolarHBondContact OD1-N 3.14Å; D238-V241 HydrophobicContact CB-CB 4.5Å; D238-V241 HydrophobicContact CB-CG2 3.73Å; D238-V241 WeakPolarHBondContact O-CB 3.09Å; D238-V241 PolarHBondContact O-N 3.04Å; D238-R294 PolarHBondContact O-NH2 3.12Å; D238-K333 IonicContact OD2-NZ 3.96Å; D238-K333 PolarHBondContact OD2-NZ 2.86Å
239P94.9Very high96.2Very high94 Ų9429.5 Ų29.561%0.6115%0.152SC*.THydrogen-bonded Turntrans-56.5-23.7175.4-26.235.2000114.6V241P239-V241 VanDerWaalsContact C-N 3.31Å
240M97Very high96.2Very high88 Ų8828 Ų2843%0.43314%0.144SC..THydrogen-bonded Turntrans-80.5-8.8176.7-67.5-59-55.300113.3D238 G242 Y332 K333D238-M240 PolarHBondContact O-N 2.89Å; D238-M240 VanDerWaalsContact O-N 3.09Å; D238-M240 VanDerWaalsContact OD1-CB 3.29Å; D238-M240 WeakPolarHBondContact OD1-CB 2.87Å; D238-M240 PolarHBondContact OD1-N 3.14Å; M240-G242 PolarHBondContact O-N 3.29Å; M240-Y332 CarbonylContact O-C 3.56Å; M240-Y332 WeakPolarHBondContact O-CA 3.04Å; M240-Y332 WeakPolarHBondContact O-CD1 3.22Å; M240-K333 HydrophobicContact CB-CD 4.45Å; M240-K333 PolarHBondContact O-N 3.45Å
241V98.4Very high96.1Very high2 Ų227.2 Ų27.21%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-81.8113.3172.3-1790000108.6L235 D238 P239 G243 R294 K333 K335L235-V241 HydrophobicContact CD2-CB 4.43Å; L235-V241 HydrophobicContact CD2-CG1 3.87Å; L235-V241 WeakPolarHBondContact CD2-O 3.38Å; D238-V241 HydrophobicContact CB-CB 4.5Å; D238-V241 HydrophobicContact CB-CG2 3.73Å; D238-V241 WeakPolarHBondContact O-CB 3.09Å; D238-V241 PolarHBondContact O-N 3.04Å; P239-V241 VanDerWaalsContact C-N 3.31Å; V241-G243 WeakPolarHBondContact CG1-O 3.39Å; V241-R294 WeakPolarHBondContact O-CD 3.39Å; V241-R294 PolarHBondContact O-NE 3.37Å; V241-K333 WeakPolarHBondContact CA-O 3.49Å; V241-K333 HydrophobicContact CG2-CB 4.12Å; V241-K335 HydrophobicContact CG1-CB 4.02Å; V241-K335 HydrophobicContact CG1-CG 3.86Å; V241-K335 HydrophobicContact CG2-CG 3.73Å
242G98.3Very high95.9Very high0 Ų027.3 Ų27.30%014%0.141CC..EExtended strand (participates in β ladder)trans-92.9-18.8-179.400000113.8M240 R294 K333M240-G242 PolarHBondContact O-N 3.29Å; G242-R294 PolarHBondContact O-N 3.29Å; G242-K333 PolarHBondContact N-O 3.45Å
243G98.5Very high95.6Very high0 Ų030.4 Ų30.40%016%0.155CC..EExtended strand (participates in β ladder)trans-158.5152176.600000113V241 I286 M292 T334 K335V241-G243 WeakPolarHBondContact CG1-O 3.39Å; G243-I286 VanDerWaalsContact C-CD1 3.47Å; G243-M292 CarbonylContact C-O 3.54Å; G243-M292 WeakPolarHBondContact CA-O 3.32Å; G243-T334 WeakPolarHBondContact O-CA 3.34Å; G243-K335 PolarHBondContact O-N 2.79Å
244V98.6Very high95.4Very high0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-136.8140.8178.662.20000110.5M231 V234 L235 G291 M292 K335 T337M231-V244 HydrophobicContact CB-CG1 3.62Å; M231-V244 HydrophobicContact CG-CG1 3.84Å; M231-V244 HydrophobicContact CG-CG2 4.43Å; M231-V244 HydrophobicContact SD-CG1 4.27Å; V234-V244 HydrophobicContact CB-CG2 4.08Å; V234-V244 HydrophobicContact CG1-CB 4.29Å; V234-V244 HydrophobicContact CG1-CG2 3.84Å; V234-V244 HydrophobicContact CG2-CG2 4.43Å; L235-V244 HydrophobicContact CD1-CG1 3.68Å; L235-V244 HydrophobicContact CD2-CG1 4.47Å; L235-V244 HydrophobicContact CG-CB 4.44Å; L235-V244 HydrophobicContact CG-CG1 3.79Å; V244-G291 CarbonylContact O-C 3.13Å; V244-G291 WeakPolarHBondContact O-CA 3.29Å; V244-M292 HydrophobicContact CG1-CB 4.03Å; V244-M292 PolarHBondContact N-O 2.91Å; V244-M292 PolarHBondContact O-N 3.1Å; V244-K335 CarbonylContact C-O 3.5Å; V244-K335 VanDerWaalsContact CA-O 3.28Å; V244-K335 WeakPolarHBondContact CA-O 3.21Å; V244-K335 HydrophobicContact CB-CB 4.46Å; V244-K335 HydrophobicContact CG2-CB 4.2Å; V244-T337 HydrophobicContact CG2-CG2 4.03Å
245G98.2Very high95.1Very high5 Ų533 Ų335%0.05217%0.166CC..EExtended strand (participates in β ladder)trans-109.5153.7170.500000112.8L290 K335 Y336 T337G245-L290 WeakPolarHBondContact CA-O 3.49Å; G245-K335 PolarHBondContact N-O 3.31Å; G245-Y336 CarbonylContact O-C 3.59Å; G245-Y336 VanDerWaalsContact O-CA 3.31Å; G245-Y336 WeakPolarHBondContact O-CA 3.38Å; G245-T337 PolarHBondContact O-N 3.28Å
246G97.5Very high94.8Very high0 Ų033.9 Ų33.90%017%0.173CC..EExtended strand (participates in β ladder)trans-98.1178.7171.600000113.9V248 F270 L290 Y336 S340G246-V248 PolarHBondContact O-N 2.83Å; G246-F270 WeakPolarHBondContact O-CD1 3.41Å; G246-F270 WeakPolarHBondContact O-CE1 3.31Å; G246-L290 PolarHBondContact N-O 2.86Å; G246-L290 VanDerWaalsContact N-O 3.07Å; G246-Y336 WeakPolarHBondContact O-CE2 3.47Å; G246-S340 CarbonylContact C-O 3.58Å; G246-S340 VanDerWaalsContact CA-O 3.27Å; G246-S340 WeakPolarHBondContact CA-O 3.42Å
247D97.5Very high94.5Very high4 Ų437.5 Ų37.52%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-77.1106.4172.6-169.747.4000110.8Q249 F270 N271 Y336 S340 Q341 C342D247-Q249 PolarHBondContact OD2-NE2 2.9Å; D247-F270 VanDerWaalsContact OD1-CB 3.32Å; D247-F270 WeakPolarHBondContact OD1-CB 3.17Å; D247-N271 PolarHBondContact OD1-ND2 3.45Å; D247-Y336 HydrophobicContact CB-CE2 4.14Å; D247-Y336 PolarHBondContact OD1-OH 3.34Å; D247-Y336 VanDerWaalsContact OD1-OH 3.1Å; D247-S340 PolarHBondContact N-O 3.04Å; D247-Q341 HydrophobicContact CB-CG 4.27Å; D247-Q341 WeakPolarHBondContact O-CA 3.38Å; D247-C342 PolarHBondContact O-N 3.17Å
248V97.3Very high94.5Very high2 Ų230.4 Ų30.41%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-91.6120.5176.5-174.40000108.9G246 Y266 F270 P289 L290 T344G246-V248 PolarHBondContact O-N 2.83Å; V248-Y266 HydrophobicContact CG1-CD1 4.25Å; V248-Y266 HydrophobicContact CG1-CE1 4.03Å; V248-Y266 WeakPolarHBondContact O-CD1 3.47Å; V248-F270 HydrophobicContact CB-CD2 4.32Å; V248-F270 HydrophobicContact CB-CE1 3.99Å; V248-F270 HydrophobicContact CB-CE2 3.61Å; V248-F270 HydrophobicContact CB-CZ 3.4Å; V248-F270 VanDerWaalsContact CB-CZ 3.4Å; V248-F270 HydrophobicContact CG1-CZ 4.47Å; V248-F270 HydrophobicContact CG2-CE1 3.68Å; V248-F270 HydrophobicContact CG2-CE2 4.18Å; V248-F270 HydrophobicContact CG2-CZ 3.44Å; V248-F270 VanDerWaalsContact CG2-CZ 3.44Å; V248-F270 WeakPolarHBondContact O-CD2 3.5Å; V248-P289 HydrophobicContact CG1-CB 3.94Å; V248-P289 HydrophobicContact CG1-CG 4.12Å; V248-P289 HydrophobicContact CG2-CB 4.09Å; V248-L290 HydrophobicContact CG2-CB 4.28Å; V248-T344 HydrophobicContact CG1-CG2 3.44Å; V248-T344 VanDerWaalsContact CG1-CG2 3.44Å
249Q96.4Very high94.4Very high53 Ų5328.5 Ų28.525%0.24814%0.141CC..EExtended strand (participates in β ladder)trans-110.9166.7177.9-59.2177.55.900110.3D247 C342 Q343 T344D247-Q249 PolarHBondContact OD2-NE2 2.9Å; Q249-C342 WeakPolarHBondContact CB-O 3.24Å; Q249-C342 PolarHBondContact N-O 3.05Å; Q249-Q343 HydrophobicContact CB-CG 4.02Å; Q249-Q343 CarbonylContact O-C 3.59Å; Q249-Q343 VanDerWaalsContact O-CA 3.29Å; Q249-Q343 WeakPolarHBondContact O-CA 3.39Å; Q249-T344 PolarHBondContact O-N 3.43Å
250I95.3Very high94.3Very high7 Ų724.1 Ų24.14%0.03611%0.113CC..EExtended strand (participates in β ladder)trans-94.7124.2178.6-61.1-51.6000110.1K253 Y266 T344 T346I250-K253 HydrophobicContact CB-CB 4.25Å; I250-K253 HydrophobicContact CG2-CB 3.96Å; I250-Y266 HydrophobicContact CD1-CD1 3.58Å; I250-Y266 HydrophobicContact CD1-CD2 4.09Å; I250-Y266 HydrophobicContact CD1-CE1 3.54Å; I250-Y266 HydrophobicContact CD1-CE2 4.06Å; I250-Y266 HydrophobicContact CD1-CG 3.86Å; I250-Y266 HydrophobicContact CG1-CD1 4.2Å; I250-Y266 HydrophobicContact CG1-CD2 4.42Å; I250-Y266 HydrophobicContact CG1-CG 4.09Å; I250-T344 WeakPolarHBondContact CA-O 3.44Å; I250-T344 HydrophobicContact CD1-CG2 4.24Å; I250-T346 HydrophobicContact CD1-CG2 4.11Å; I250-T346 HydrophobicContact CG1-CG2 4.29Å; I250-T346 HydrophobicContact CG2-CG2 3.43Å; I250-T346 VanDerWaalsContact CG2-CG2 3.43Å
251L92.6Very high94.1Very high4 Ų420.4 Ų20.42%0.0219%0.094CC..THydrogen-bonded Turntrans-68.6-58177-17856.4000110.4Y96 V222 K253 Q343 T344 Y551 L553Y96-L251 HydrophobicContact CD1-CD2 3.85Å; Y96-L251 HydrophobicContact CE1-CD2 3.63Å; Y96-L251 HydrophobicContact CE1-CG 4.42Å; V222-L251 HydrophobicContact CG2-CD2 4.03Å; L251-K253 VanDerWaalsContact C-N 3.26Å; L251-K253 PolarHBondContact O-N 3.4Å; L251-K253 VanDerWaalsContact O-N 3.09Å; L251-Q343 HydrophobicContact CB-CB 3.97Å; L251-Q343 HydrophobicContact CD1-CB 4.15Å; L251-T344 WeakPolarHBondContact CB-O 3.23Å; L251-T344 PolarHBondContact N-O 2.91Å; L251-Y551 HydrophobicContact CD1-CD1 4.31Å; L251-Y551 HydrophobicContact CD1-CG 4.34Å; L251-Y551 VanDerWaalsContact O-CD1 3.3Å; L251-Y551 WeakPolarHBondContact O-CD1 3.47Å; L251-Y551 WeakPolarHBondContact O-CE1 3.32Å; L251-L553 HydrophobicContact CD1-CD2 4.15Å
252N91.9Very high94Very high1 Ų120.4 Ų20.41%0.00510%0.095CC..THydrogen-bonded Turntrans-88.240.1-174.368.3-38.5000114.3Y254 D255 S259 E345 T346 T348 Y551N252-Y254 PolarHBondContact O-N 2.96Å; N252-Y254 VanDerWaalsContact O-N 3.09Å; N252-D255 HydrophobicContact CB-CB 4.41Å; N252-D255 WeakPolarHBondContact CB-OD2 3.38Å; N252-D255 PolarHBondContact O-N 3.4Å; N252-S259 WeakPolarHBondContact O-CB 3.02Å; N252-S259 PolarHBondContact O-OG 3.37Å; N252-E345 PolarHBondContact ND2-OE1 2.82Å; N252-E345 WeakPolarHBondContact OD1-CA 3.12Å; N252-T346 PolarHBondContact ND2-O 2.88Å; N252-T346 PolarHBondContact OD1-N 2.74Å; N252-T346 PolarHBondContact OD1-O 3.05Å; N252-T348 WeakPolarHBondContact ND2-CG2 3.36Å; N252-Y551 WeakPolarHBondContact CA-OH 3.44Å
253K90.1Very high93.8Very high65 Ų6521.1 Ų21.128%0.28310%0.1SC..THydrogen-bonded Turntrans-64.9-15.6-170.968.2-172.8173.8-165.10115.1I250 L251 F260I250-K253 HydrophobicContact CB-CB 4.25Å; I250-K253 HydrophobicContact CG2-CB 3.96Å; L251-K253 VanDerWaalsContact C-N 3.26Å; L251-K253 PolarHBondContact O-N 3.4Å; L251-K253 VanDerWaalsContact O-N 3.09Å; K253-F260 WeakPolarHBondContact O-CA 3.48Å; K253-F260 VanDerWaalsContact O-CB 3.22Å; K253-F260 WeakPolarHBondContact O-CB 3.28Å; K253-F260 PolarHBondContact O-N 3.28Å; K253-F260 VanDerWaalsContact O-N 3.13Å
254Y88.8Confident93.6Very high50 Ų5021.1 Ų21.120%0.19610%0.1CC..THydrogen-bonded Turntrans-109.62.2-180-59.7-55.4000113.4N252 S256 F260 V540 R543 C544N252-Y254 PolarHBondContact O-N 2.96Å; N252-Y254 VanDerWaalsContact O-N 3.09Å; Y254-S256 PolarHBondContact O-N 2.96Å; Y254-F260 HydrophobicContact CD1-CD2 4.15Å; Y254-F260 HydrophobicContact CE1-CD2 4.03Å; Y254-F260 HydrophobicContact CE1-CE2 4.13Å; Y254-V540 HydrophobicContact CD1-CG1 4.25Å; Y254-V540 HydrophobicContact CE1-CG1 4.49Å; Y254-R543 HydrophobicContact CD1-CB 4.26Å; Y254-R543 HydrophobicContact CD2-CB 4.48Å; Y254-R543 HydrophobicContact CE1-CB 4.38Å; Y254-R543 HydrophobicContact CG-CB 4.31Å; Y254-R543 PolarHBondContact OH-NH1 3.24Å; Y254-C544 WeakPolarHBondContact O-CA 3.49Å; Y254-C544 VanDerWaalsContact O-CB 3.32Å; Y254-C544 WeakPolarHBondContact O-CB 3.49Å; Y254-C544 PolarHBondContact O-SG 2.87Å
255D88.4Confident93.5Very high83 Ų8323.9 Ų23.944%0.44411%0.11SC..SBendtrans-67.9-25.3177.5-774.9000113.3N252 T348 Y551N252-D255 HydrophobicContact CB-CB 4.41Å; N252-D255 WeakPolarHBondContact CB-OD2 3.38Å; N252-D255 PolarHBondContact O-N 3.4Å; D255-T348 HydrophobicContact CB-CG2 3.55Å; D255-Y551 PolarHBondContact OD1-OH 3.46Å
256S89.8Confident93.4Very high19 Ų1925.1 Ų25.113%0.13311%0.114CC..  trans-160.9163.2-178.765.90000111.5Y254 I258 S259 F260 T348Y254-S256 PolarHBondContact O-N 2.96Å; S256-I258 PolarHBondContact O-N 3.34Å; S256-I258 PolarHBondContact OG-N 2.87Å; S256-S259 PolarHBondContact N-OG 3.06Å; S256-S259 VanDerWaalsContact N-OG 3.08Å; S256-S259 PolarHBondContact O-N 2.99Å; S256-S259 PolarHBondContact O-OG 2.96Å; S256-S259 VanDerWaalsContact O-OG 3.07Å; S256-S259 WeakPolarHBondContact OG-CB 3.3Å; S256-S259 PolarHBondContact OG-N 3.45Å; S256-S259 PolarHBondContact OG-OG 3.49Å; S256-F260 WeakPolarHBondContact O-CB 3.32Å; S256-F260 PolarHBondContact O-N 3.49Å; S256-T348 WeakPolarHBondContact CB-O 3.18Å; S256-T348 WeakPolarHBondContact OG-CA 3.42Å; S256-T348 PolarHBondContact OG-O 3.41Å
257W89.1Confident93.3Very high120 Ų12026.2 Ų26.246%0.45512%0.118SC..Hα-helixtrans-61.7-31171.371.9-91.8000112.2L261 Y350 L448 Y536W257-L261 HydrophobicContact CE3-CD1 3.66Å; W257-L261 HydrophobicContact CE3-CG 4.46Å; W257-L261 HydrophobicContact CZ3-CD1 3.83Å; W257-L261 WeakPolarHBondContact O-CB 3.21Å; W257-L261 WeakPolarHBondContact O-CG 3.32Å; W257-L261 PolarHBondContact O-N 3.35Å; W257-Y350 HydrophobicContact CH2-CD2 4.39Å; W257-L448 HydrophobicContact CH2-CD2 3.82Å; W257-L448 HydrophobicContact CZ3-CD1 3.96Å; W257-L448 HydrophobicContact CZ3-CD2 3.78Å; W257-L448 HydrophobicContact CZ3-CG 4.15Å; W257-Y536 WeakPolarHBondContact CB-OH 3.43Å
258I91.4Very high93.2Very high1 Ų126.7 Ų26.71%0.00512%0.12CC..Hα-helixtrans-68-48.7176.2-68-68.1000111.4S256 F260 L261 S262 P347 Y350 W353S256-I258 PolarHBondContact O-N 3.34Å; S256-I258 PolarHBondContact OG-N 2.87Å; I258-F260 VanDerWaalsContact C-N 3.27Å; I258-F260 PolarHBondContact O-N 3.35Å; I258-L261 PolarHBondContact O-N 3.29Å; I258-S262 VanDerWaalsContact O-CB 3.26Å; I258-S262 WeakPolarHBondContact O-CB 3.41Å; I258-S262 PolarHBondContact O-N 3.29Å; I258-S262 PolarHBondContact O-OG 2.98Å; I258-P347 WeakPolarHBondContact CG2-O 3.43Å; I258-Y350 HydrophobicContact CD1-CD2 3.77Å; I258-Y350 HydrophobicContact CD1-CG 4.48Å; I258-W353 HydrophobicContact CG2-CB 3.66Å; I258-W353 HydrophobicContact CG2-CD2 4.23Å; I258-W353 HydrophobicContact CG2-CG 3.59Å
259S92.5Very high93.2Very high0 Ų027.3 Ų27.30%013%0.125CC..Hα-helixtrans-66.1-35.2178.7620000111.1N252 S256 S262 S263 T346N252-S259 WeakPolarHBondContact O-CB 3.02Å; N252-S259 PolarHBondContact O-OG 3.37Å; S256-S259 PolarHBondContact N-OG 3.06Å; S256-S259 VanDerWaalsContact N-OG 3.08Å; S256-S259 PolarHBondContact O-N 2.99Å; S256-S259 PolarHBondContact O-OG 2.96Å; S256-S259 VanDerWaalsContact O-OG 3.07Å; S256-S259 WeakPolarHBondContact OG-CB 3.3Å; S256-S259 PolarHBondContact OG-N 3.45Å; S256-S259 PolarHBondContact OG-OG 3.49Å; S259-S262 PolarHBondContact O-N 2.72Å; S259-S263 PolarHBondContact O-N 2.83Å; S259-T346 VanDerWaalsContact CB-CG2 3.45Å
260F93Very high93.2Very high2 Ų225.4 Ų25.41%0.00912%0.116CC..Hα-helixtrans-62.5-53.6172.5-179.8-105.5000112.7K253 Y254 S256 I258 S262 S263 V264 V438 F441 Y536 V540K253-F260 WeakPolarHBondContact O-CA 3.48Å; K253-F260 VanDerWaalsContact O-CB 3.22Å; K253-F260 WeakPolarHBondContact O-CB 3.28Å; K253-F260 PolarHBondContact O-N 3.28Å; K253-F260 VanDerWaalsContact O-N 3.13Å; Y254-F260 HydrophobicContact CD1-CD2 4.15Å; Y254-F260 HydrophobicContact CE1-CD2 4.03Å; Y254-F260 HydrophobicContact CE1-CE2 4.13Å; S256-F260 WeakPolarHBondContact O-CB 3.32Å; S256-F260 PolarHBondContact O-N 3.49Å; I258-F260 VanDerWaalsContact C-N 3.27Å; I258-F260 PolarHBondContact O-N 3.35Å; F260-S262 VanDerWaalsContact C-N 3.26Å; F260-S262 PolarHBondContact O-N 3.44Å; F260-S263 WeakPolarHBondContact O-CB 3.23Å; F260-S263 PolarHBondContact O-N 3Å; F260-S263 PolarHBondContact O-OG 2.94Å; F260-V264 HydrophobicContact CZ-CG1 4.48Å; F260-V264 PolarHBondContact O-N 2.9Å; F260-V438 HydrophobicContact CE2-CG1 3.91Å; F260-V438 HydrophobicContact CZ-CG1 3.88Å; F260-F441 HydrophobicContact CE1-CB 3.66Å; F260-F441 HydrophobicContact CE1-CD1 4.43Å; F260-F441 AromaticContact CE1-CD2 3.71Å; F260-F441 HydrophobicContact CE1-CD2 3.71Å; F260-F441 HydrophobicContact CE1-CE2 4.47Å; F260-F441 AromaticContact CE1-CG 3.68Å; F260-F441 HydrophobicContact CE1-CG 3.68Å; F260-F441 HydrophobicContact CZ-CB 4.14Å; F260-F441 AromaticContact CZ-CD2 3.52Å; F260-F441 HydrophobicContact CZ-CD2 3.52Å; F260-F441 HydrophobicContact CZ-CE2 4.16Å; F260-F441 AromaticContact CZ-CG 3.99Å; F260-F441 HydrophobicContact CZ-CG 3.99Å; F260-Y536 HydrophobicContact CD1-CD2 4.4Å; F260-Y536 AromaticContact CD1-CE2 3.95Å; F260-Y536 HydrophobicContact CD1-CE2 3.95Å; F260-Y536 HydrophobicContact CE1-CD2 4.35Å; F260-Y536 HydrophobicContact CE1-CE2 4.34Å; F260-V540 HydrophobicContact CD1-CG1 4.11Å; F260-V540 HydrophobicContact CD1-CG2 4.47Å; F260-V540 HydrophobicContact CD2-CG1 3.74Å; F260-V540 HydrophobicContact CD2-CG2 4.41Å; F260-V540 HydrophobicContact CE1-CG1 4.26Å; F260-V540 HydrophobicContact CE1-CG2 3.81Å; F260-V540 HydrophobicContact CE2-CG1 3.93Å; F260-V540 HydrophobicContact CE2-CG2 3.76Å; F260-V540 HydrophobicContact CG-CG1 3.84Å; F260-V540 HydrophobicContact CZ-CB 4.46Å; F260-V540 HydrophobicContact CZ-CG1 4.18Å; F260-V540 HydrophobicContact CZ-CG2 3.42Å; F260-V540 VanDerWaalsContact CZ-CG2 3.42Å
261L93.4Very high93.3Very high10 Ų1025.6 Ų25.65%0.05212%0.117CC..Hα-helixtrans-64.5-32.4178.4-71.3-176.8000112.2W257 I258 S263 V264 R265 F441 L444 Y445 L448W257-L261 HydrophobicContact CE3-CD1 3.66Å; W257-L261 HydrophobicContact CE3-CG 4.46Å; W257-L261 HydrophobicContact CZ3-CD1 3.83Å; W257-L261 WeakPolarHBondContact O-CB 3.21Å; W257-L261 WeakPolarHBondContact O-CG 3.32Å; W257-L261 PolarHBondContact O-N 3.35Å; I258-L261 PolarHBondContact O-N 3.29Å; L261-S263 VanDerWaalsContact C-N 3.3Å; L261-S263 PolarHBondContact O-N 3.47Å; L261-V264 HydrophobicContact CD2-CG2 4.4Å; L261-V264 WeakPolarHBondContact O-CG2 3.35Å; L261-R265 WeakPolarHBondContact O-CB 3.37Å; L261-R265 PolarHBondContact O-N 2.77Å; L261-R265 VanDerWaalsContact O-N 3.11Å; L261-F441 HydrophobicContact CD2-CB 4.49Å; L261-L444 HydrophobicContact CD1-CB 4.47Å; L261-L444 HydrophobicContact CD2-CB 3.92Å; L261-L444 HydrophobicContact CD2-CD1 4.29Å; L261-Y445 HydrophobicContact CB-CD2 4.39Å; L261-L448 HydrophobicContact CB-CD1 4.08Å; L261-L448 HydrophobicContact CD1-CD1 3.54Å; L261-L448 HydrophobicContact CD1-CG 4.25Å; L261-L448 HydrophobicContact CG-CD1 4.48Å
262S94.8Very high93.4Very high3 Ų325.5 Ų25.52%0.02112%0.117CC..Hα-helixtrans-63.4-37.6171.3-60.70000111.3I258 S259 F260 R265 Y266 W353I258-S262 VanDerWaalsContact O-CB 3.26Å; I258-S262 WeakPolarHBondContact O-CB 3.41Å; I258-S262 PolarHBondContact O-N 3.29Å; I258-S262 PolarHBondContact O-OG 2.98Å; S259-S262 PolarHBondContact O-N 2.72Å; F260-S262 VanDerWaalsContact C-N 3.26Å; F260-S262 PolarHBondContact O-N 3.44Å; S262-R265 PolarHBondContact O-N 3.07Å; S262-Y266 WeakPolarHBondContact O-CB 3.37Å; S262-Y266 VanDerWaalsContact O-CD2 3.23Å; S262-Y266 WeakPolarHBondContact O-CD2 3.19Å; S262-Y266 PolarHBondContact O-N 2.91Å; S262-W353 PolarHBondContact OG-NE1 3.17Å
263S95Very high93.7Very high15 Ų1527.8 Ų27.811%0.10513%0.127CC..Hα-helixtrans-63.5-43.5178.483.30000113.7S259 F260 L261 Y266 W267S259-S263 PolarHBondContact O-N 2.83Å; F260-S263 WeakPolarHBondContact O-CB 3.23Å; F260-S263 PolarHBondContact O-N 3Å; F260-S263 PolarHBondContact O-OG 2.94Å; L261-S263 VanDerWaalsContact C-N 3.3Å; L261-S263 PolarHBondContact O-N 3.47Å; S263-Y266 PolarHBondContact O-N 3.18Å; S263-W267 PolarHBondContact O-N 3.5Å; S263-W267 VanDerWaalsContact O-N 3.11Å
264V94.7Very high94Very high0 Ų026.4 Ų26.40%012%0.12CC..Hα-helixtrans-70.2-35.4176.7-62.90000111.1F260 L261 W267 M268 V438 M439 M442F260-V264 HydrophobicContact CZ-CG1 4.48Å; F260-V264 PolarHBondContact O-N 2.9Å; L261-V264 HydrophobicContact CD2-CG2 4.4Å; L261-V264 WeakPolarHBondContact O-CG2 3.35Å; V264-W267 PolarHBondContact O-N 3.03Å; V264-M268 PolarHBondContact O-N 3.2Å; V264-V438 HydrophobicContact CG1-CG1 4.45Å; V264-M439 HydrophobicContact CB-CE 4.13Å; V264-M439 HydrophobicContact CB-SD 4.33Å; V264-M439 HydrophobicContact CG1-SD 4.2Å; V264-M442 HydrophobicContact CB-CB 4.49Å; V264-M442 HydrophobicContact CB-SD 4.44Å; V264-M442 HydrophobicContact CG2-CB 4.47Å; V264-M442 HydrophobicContact CG2-SD 4.16Å
265R95.4Very high94.5Very high57 Ų5724 Ų2422%0.21511%0.111CC..Hα-helixtrans-64.8-43.4173.8171.264.2-175.9109.8-8.8112.7L261 S262 W267 M268 A269 E273 Y445L261-R265 WeakPolarHBondContact O-CB 3.37Å; L261-R265 PolarHBondContact O-N 2.77Å; L261-R265 VanDerWaalsContact O-N 3.11Å; S262-R265 PolarHBondContact O-N 3.07Å; R265-W267 VanDerWaalsContact C-N 3.3Å; R265-M268 WeakPolarHBondContact O-CB 3.48Å; R265-M268 PolarHBondContact O-N 2.61Å; R265-A269 VanDerWaalsContact NH1-CA 3.34Å; R265-A269 VanDerWaalsContact NH1-CB 3.3Å; R265-A269 PolarHBondContact O-N 3.22Å; R265-E273 IonicContact CZ-OE1 3.59Å; R265-E273 IonicContact CZ-OE2 3.94Å; R265-E273 IonicContact NH1-OE1 2.67Å; R265-E273 PolarHBondContact NH1-OE1 3.04Å; R265-E273 IonicContact NH1-OE2 2.86Å; R265-E273 IonicContact NH2-OE1 3.82Å; R265-E273 PolarHBondContact NH2-OE1 2.92Å; R265-E273 IonicContact NH2-OE2 3.18Å; R265-E273 PolarHBondContact NH2-OE2 3.23Å; R265-E273 VanDerWaalsContact NH2-OE2 3.16Å; R265-Y445 HydrophobicContact CB-CD1 4.46Å; R265-Y445 HydrophobicContact CB-CD2 3.71Å; R265-Y445 HydrophobicContact CB-CE1 4.29Å; R265-Y445 HydrophobicContact CB-CE2 3.49Å; R265-Y445 VanDerWaalsContact CB-CE2 3.49Å; R265-Y445 HydrophobicContact CB-CG 4.19Å; R265-Y445 VanDerWaalsContact CD-CE1 3.41Å; R265-Y445 HydrophobicContact CG-CD1 4.42Å; R265-Y445 HydrophobicContact CG-CD2 4.27Å; R265-Y445 HydrophobicContact CG-CE1 3.84Å; R265-Y445 HydrophobicContact CG-CE2 3.65Å; R265-Y445 WeakPolarHBondContact CG-OH 3.49Å
266Y96Very high94.9Very high32 Ų3220 Ų2013%0.1259%0.09CC..Hα-helixtrans-59-47.1177-96.5-126.2000109.7V248 I250 S262 S263 M268 A269 F270 T344 W360V248-Y266 HydrophobicContact CG1-CD1 4.25Å; V248-Y266 HydrophobicContact CG1-CE1 4.03Å; V248-Y266 WeakPolarHBondContact O-CD1 3.47Å; I250-Y266 HydrophobicContact CD1-CD1 3.58Å; I250-Y266 HydrophobicContact CD1-CD2 4.09Å; I250-Y266 HydrophobicContact CD1-CE1 3.54Å; I250-Y266 HydrophobicContact CD1-CE2 4.06Å; I250-Y266 HydrophobicContact CD1-CG 3.86Å; I250-Y266 HydrophobicContact CG1-CD1 4.2Å; I250-Y266 HydrophobicContact CG1-CD2 4.42Å; I250-Y266 HydrophobicContact CG1-CG 4.09Å; S262-Y266 WeakPolarHBondContact O-CB 3.37Å; S262-Y266 VanDerWaalsContact O-CD2 3.23Å; S262-Y266 WeakPolarHBondContact O-CD2 3.19Å; S262-Y266 PolarHBondContact O-N 2.91Å; S263-Y266 PolarHBondContact O-N 3.18Å; Y266-M268 VanDerWaalsContact C-N 3.28Å; Y266-M268 PolarHBondContact O-N 3.44Å; Y266-A269 WeakPolarHBondContact O-CA 3.48Å; Y266-A269 WeakPolarHBondContact O-CB 3.19Å; Y266-A269 PolarHBondContact O-N 3.16Å; Y266-F270 HydrophobicContact CD1-CD2 4.46Å; Y266-F270 AromaticContact CD1-CE2 3.86Å; Y266-F270 HydrophobicContact CD1-CE2 3.86Å; Y266-F270 HydrophobicContact CE1-CE2 4.34Å; Y266-F270 HydrophobicContact CG-CE2 4.46Å; Y266-F270 VanDerWaalsContact O-CD2 3.29Å; Y266-F270 WeakPolarHBondContact O-CD2 3.45Å; Y266-F270 PolarHBondContact O-N 3.44Å; Y266-T344 HydrophobicContact CE1-CG2 4.24Å; Y266-W360 HydrophobicContact CE2-CH2 4.22Å; Y266-W360 HydrophobicContact CE2-CZ3 4.33Å; Y266-W360 WeakPolarHBondContact OH-CH2 3.49Å
267W96.1Very high95.3Very high22 Ų2219.5 Ų19.58%0.0839%0.085CC..Hα-helixtrans-54.1-46.7176.1-170.389.8000111.7S263 V264 R265 A269 F270 N271 I272 A430 L433 R434 M439S263-W267 PolarHBondContact O-N 3.5Å; S263-W267 VanDerWaalsContact O-N 3.11Å; V264-W267 PolarHBondContact O-N 3.03Å; R265-W267 VanDerWaalsContact C-N 3.3Å; W267-A269 PolarHBondContact O-N 3.45Å; W267-F270 PolarHBondContact O-N 3.17Å; W267-N271 HydrophobicContact CD2-CB 4.04Å; W267-N271 HydrophobicContact CE3-CB 4.27Å; W267-N271 HydrophobicContact CH2-CB 4.11Å; W267-N271 HydrophobicContact CZ2-CB 3.8Å; W267-N271 HydrophobicContact CZ3-CB 4.31Å; W267-N271 VanDerWaalsContact O-CB 3.26Å; W267-N271 WeakPolarHBondContact O-CB 3.29Å; W267-N271 PolarHBondContact O-N 3.49Å; W267-N271 PolarHBondContact O-ND2 3.18Å; W267-I272 HydrophobicContact CH2-CD1 4.33Å; W267-I272 HydrophobicContact CZ3-CD1 4.13Å; W267-I272 HydrophobicContact CZ3-CG1 4.13Å; W267-A430 HydrophobicContact CE3-CB 4.22Å; W267-A430 HydrophobicContact CH2-CB 4.3Å; W267-A430 HydrophobicContact CZ3-CB 3.59Å; W267-L433 HydrophobicContact CH2-CB 3.97Å; W267-L433 HydrophobicContact CH2-CD2 3.85Å; W267-L433 HydrophobicContact CH2-CG 4Å; W267-L433 HydrophobicContact CZ2-CD2 4.5Å; W267-L433 HydrophobicContact CZ2-CG 4.41Å; W267-R434 HydrophobicContact CH2-CB 4.03Å; W267-R434 HydrophobicContact CZ2-CB 3.48Å; W267-R434 VanDerWaalsContact CZ2-CB 3.48Å; W267-R434 HydrophobicContact CZ2-CG 3.94Å; W267-M439 HydrophobicContact CB-CE 4.16Å; W267-M439 HydrophobicContact CB-SD 4.27Å; W267-M439 HydrophobicContact CD2-CE 3.94Å; W267-M439 HydrophobicContact CD2-SD 4.1Å; W267-M439 HydrophobicContact CE3-CE 3.43Å; W267-M439 VanDerWaalsContact CE3-CE 3.43Å; W267-M439 HydrophobicContact CE3-SD 4.16Å; W267-M439 HydrophobicContact CG-CE 4.25Å; W267-M439 HydrophobicContact CG-SD 4.14Å; W267-M439 HydrophobicContact CZ3-CE 4.15Å
268M95.9Very high95.8Very high14 Ų1413.8 Ų13.87%0.0696%0.063CC..Hα-helixtrans-61.9-41.1174.9-68.6-62.3-70.200112.9V264 R265 Y266 F270 I272 E273 K426 A430 M439 M442V264-M268 PolarHBondContact O-N 3.2Å; R265-M268 WeakPolarHBondContact O-CB 3.48Å; R265-M268 PolarHBondContact O-N 2.61Å; Y266-M268 VanDerWaalsContact C-N 3.28Å; Y266-M268 PolarHBondContact O-N 3.44Å; M268-F270 PolarHBondContact O-N 2.85Å; M268-I272 HydrophobicContact CE-CB 4.42Å; M268-I272 HydrophobicContact CE-CG1 3.77Å; M268-I272 VanDerWaalsContact O-CB 3.28Å; M268-I272 WeakPolarHBondContact O-CB 3.48Å; M268-I272 PolarHBondContact O-N 2.75Å; M268-I272 VanDerWaalsContact O-N 3.09Å; M268-I272 HydrophobicContact SD-CG1 3.86Å; M268-E273 PolarHBondContact O-N 2.82Å; M268-E273 VanDerWaalsContact O-N 3.17Å; M268-K426 HydrophobicContact CE-CB 4.32Å; M268-A430 HydrophobicContact SD-CB 3.56Å; M268-A430 VanDerWaalsContact SD-CB 3.56Å; M268-M439 HydrophobicContact CG-CE 4.09Å; M268-M439 HydrophobicContact SD-CE 4.16Å; M268-M442 HydrophobicContact CB-SD 4.43Å; M268-M442 HydrophobicContact CG-CE 4.15Å; M268-M442 HydrophobicContact CG-CG 3.75Å; M268-M442 HydrophobicContact CG-SD 3.62Å; M268-M442 HydrophobicContact SD-CG 4.43Å
269A95.9Very high96.1Very high15 Ų1516.4 Ų16.412%0.1247%0.074CC..Iπ-helixtrans-60.6-47.4179.700000111.2R265 Y266 W267 E273 R274R265-A269 VanDerWaalsContact NH1-CA 3.34Å; R265-A269 VanDerWaalsContact NH1-CB 3.3Å; R265-A269 PolarHBondContact O-N 3.22Å; Y266-A269 WeakPolarHBondContact O-CA 3.48Å; Y266-A269 WeakPolarHBondContact O-CB 3.19Å; Y266-A269 PolarHBondContact O-N 3.16Å; W267-A269 PolarHBondContact O-N 3.45Å; A269-E273 WeakPolarHBondContact O-CB 3.4Å; A269-E273 PolarHBondContact O-N 3.48Å; A269-R274 VanDerWaalsContact O-CG 3.23Å; A269-R274 WeakPolarHBondContact O-CG 3.5Å; A269-R274 PolarHBondContact O-N 3.49Å
270F97.2Very high96.3Very high13 Ų1319.2 Ų19.26%0.0579%0.086CC..Iπ-helixtrans-81.7-49.3-176.1-73-84.8000112.2G246 D247 V248 Y266 W267 M268 R274 A275 S287 Y336G246-F270 WeakPolarHBondContact O-CD1 3.41Å; G246-F270 WeakPolarHBondContact O-CE1 3.31Å; D247-F270 VanDerWaalsContact OD1-CB 3.32Å; D247-F270 WeakPolarHBondContact OD1-CB 3.17Å; V248-F270 HydrophobicContact CB-CD2 4.32Å; V248-F270 HydrophobicContact CB-CE1 3.99Å; V248-F270 HydrophobicContact CB-CE2 3.61Å; V248-F270 HydrophobicContact CB-CZ 3.4Å; V248-F270 VanDerWaalsContact CB-CZ 3.4Å; V248-F270 HydrophobicContact CG1-CZ 4.47Å; V248-F270 HydrophobicContact CG2-CE1 3.68Å; V248-F270 HydrophobicContact CG2-CE2 4.18Å; V248-F270 HydrophobicContact CG2-CZ 3.44Å; V248-F270 VanDerWaalsContact CG2-CZ 3.44Å; V248-F270 WeakPolarHBondContact O-CD2 3.5Å; Y266-F270 HydrophobicContact CD1-CD2 4.46Å; Y266-F270 AromaticContact CD1-CE2 3.86Å; Y266-F270 HydrophobicContact CD1-CE2 3.86Å; Y266-F270 HydrophobicContact CE1-CE2 4.34Å; Y266-F270 HydrophobicContact CG-CE2 4.46Å; Y266-F270 VanDerWaalsContact O-CD2 3.29Å; Y266-F270 WeakPolarHBondContact O-CD2 3.45Å; Y266-F270 PolarHBondContact O-N 3.44Å; W267-F270 PolarHBondContact O-N 3.17Å; M268-F270 PolarHBondContact O-N 2.85Å; F270-R274 HydrophobicContact CD1-CG 4.35Å; F270-R274 WeakPolarHBondContact O-CB 3.3Å; F270-A275 PolarHBondContact O-N 3.42Å; F270-S287 WeakPolarHBondContact CE1-OG 3.48Å; F270-S287 WeakPolarHBondContact CZ-OG 3.43Å; F270-Y336 HydrophobicContact CB-CE2 3.88Å; F270-Y336 HydrophobicContact CD1-CD2 4.16Å; F270-Y336 AromaticContact CD1-CE2 3.79Å; F270-Y336 HydrophobicContact CD1-CE2 3.79Å; F270-Y336 HydrophobicContact CG-CE2 4.31Å; F270-Y336 WeakPolarHBondContact O-CE1 3.38Å
271N96.4Very high96.6Very high11 Ų1119.3 Ų19.36%0.0599%0.087CC..Iπ-helixtrans-84.6-16.5-169.2-66.8-91.4000113.4H67 D247 W267 A275 Y336H67-N271 PolarHBondContact CD2-O 3.06Å; H67-N271 PolarHBondContact CE1-OD1 3.27Å; H67-N271 VanDerWaalsContact CE1-OD1 3.25Å; H67-N271 PolarHBondContact NE2-O 2.96Å; D247-N271 PolarHBondContact OD1-ND2 3.45Å; W267-N271 HydrophobicContact CD2-CB 4.04Å; W267-N271 HydrophobicContact CE3-CB 4.27Å; W267-N271 HydrophobicContact CH2-CB 4.11Å; W267-N271 HydrophobicContact CZ2-CB 3.8Å; W267-N271 HydrophobicContact CZ3-CB 4.31Å; W267-N271 VanDerWaalsContact O-CB 3.26Å; W267-N271 WeakPolarHBondContact O-CB 3.29Å; W267-N271 PolarHBondContact O-N 3.49Å; W267-N271 PolarHBondContact O-ND2 3.18Å; N271-A275 VanDerWaalsContact O-CB 3.27Å; N271-A275 WeakPolarHBondContact O-CB 3.37Å; N271-Y336 PolarHBondContact OD1-OH 2.68Å
272I96.1Very high96.8Very high3 Ų318.8 Ų18.82%0.0159%0.085CC..Iπ-helixtrans-110-65.4173.1-52.2-53.4000110.6Q59 A63 W267 M268 C276 Y429 L433Q59-I272 HydrophobicContact CG-CG2 4.17Å; A63-I272 HydrophobicContact CB-CD1 4.44Å; A63-I272 HydrophobicContact CB-CG2 4.38Å; A63-I272 WeakPolarHBondContact CB-O 3.5Å; W267-I272 HydrophobicContact CH2-CD1 4.33Å; W267-I272 HydrophobicContact CZ3-CD1 4.13Å; W267-I272 HydrophobicContact CZ3-CG1 4.13Å; M268-I272 HydrophobicContact CE-CB 4.42Å; M268-I272 HydrophobicContact CE-CG1 3.77Å; M268-I272 VanDerWaalsContact O-CB 3.28Å; M268-I272 WeakPolarHBondContact O-CB 3.48Å; M268-I272 PolarHBondContact O-N 2.75Å; M268-I272 VanDerWaalsContact O-N 3.09Å; M268-I272 HydrophobicContact SD-CG1 3.86Å; I272-C276 VanDerWaalsContact O-CB 3.25Å; I272-C276 WeakPolarHBondContact O-CB 3.26Å; I272-C276 PolarHBondContact O-N 3.45Å; I272-Y429 HydrophobicContact CD1-CD1 4.26Å; I272-Y429 HydrophobicContact CD1-CE1 3.64Å; I272-L433 HydrophobicContact CD1-CD2 3.38Å
273E96.7Very high96.9Very high48 Ų4818.8 Ų18.822%0.2248%0.084CC..Iπ-helixtrans-66.3-53.7-171-58.5163.7-15100111R265 M268 A269 C276 Q277R265-E273 IonicContact CZ-OE1 3.59Å; R265-E273 IonicContact CZ-OE2 3.94Å; R265-E273 IonicContact NH1-OE1 2.67Å; R265-E273 PolarHBondContact NH1-OE1 3.04Å; R265-E273 IonicContact NH1-OE2 2.86Å; R265-E273 IonicContact NH2-OE1 3.82Å; R265-E273 PolarHBondContact NH2-OE1 2.92Å; R265-E273 IonicContact NH2-OE2 3.18Å; R265-E273 PolarHBondContact NH2-OE2 3.23Å; R265-E273 VanDerWaalsContact NH2-OE2 3.16Å; M268-E273 PolarHBondContact O-N 2.82Å; M268-E273 VanDerWaalsContact O-N 3.17Å; A269-E273 WeakPolarHBondContact O-CB 3.4Å; A269-E273 PolarHBondContact O-N 3.48Å; E273-C276 PolarHBondContact O-N 2.89Å; E273-Q277 VanDerWaalsContact O-CG 3.32Å; E273-Q277 WeakPolarHBondContact O-CG 3.37Å; E273-Q277 PolarHBondContact O-N 2.98Å
274R97.8Very high96.9Very high36 Ų3618.9 Ų18.914%0.1368%0.083CC..Iπ-helixtrans-70.2-35.1-179.6-62-77176.6-90.2-17.4112.7A269 F270 Q277 S278 C285 Y336A269-R274 VanDerWaalsContact O-CG 3.23Å; A269-R274 WeakPolarHBondContact O-CG 3.5Å; A269-R274 PolarHBondContact O-N 3.49Å; F270-R274 HydrophobicContact CD1-CG 4.35Å; F270-R274 WeakPolarHBondContact O-CB 3.3Å; R274-Q277 VanDerWaalsContact NH1-NE2 3.16Å; R274-Q277 PolarHBondContact O-N 3.23Å; R274-S278 VanDerWaalsContact O-CB 3.29Å; R274-S278 WeakPolarHBondContact O-CB 3.24Å; R274-S278 PolarHBondContact O-N 3.27Å; R274-C285 PolarHBondContact NE-O 3.06Å; R274-Y336 HydrophobicContact CB-CD1 4.45Å; R274-Y336 HydrophobicContact CB-CD2 4.37Å; R274-Y336 HydrophobicContact CB-CG 4.11Å
275A97.8Very high97Very high0 Ų019.5 Ų19.50%09%0.087CC..Hα-helixtrans-61.1-44.7173.100000111.9A63 E66 F270 N271 S278 Y279 Y336A63-A275 HydrophobicContact CB-CB 3.99Å; E66-A275 WeakPolarHBondContact CB-O 3.5Å; F270-A275 PolarHBondContact O-N 3.42Å; N271-A275 VanDerWaalsContact O-CB 3.27Å; N271-A275 WeakPolarHBondContact O-CB 3.37Å; A275-S278 WeakPolarHBondContact O-CB 3.37Å; A275-S278 PolarHBondContact O-N 3.11Å; A275-Y279 PolarHBondContact O-N 3.22Å; A275-Y336 HydrophobicContact CB-CD1 4.15Å; A275-Y336 HydrophobicContact CB-CE1 4.08Å
276C98.1Very high97.1Very high0 Ų016.8 Ų16.80%08%0.077CC..Hα-helixtrans-61.2-47.7173.6177.10000111.7Q59 F62 A63 I272 E273 S278 Y279 F280 W381Q59-C276 HydrophobicContact CG-CB 3.89Å; F62-C276 HydrophobicContact CB-CB 4.45Å; A63-C276 HydrophobicContact CB-CB 4.25Å; I272-C276 VanDerWaalsContact O-CB 3.25Å; I272-C276 WeakPolarHBondContact O-CB 3.26Å; I272-C276 PolarHBondContact O-N 3.45Å; E273-C276 PolarHBondContact O-N 2.89Å; C276-S278 VanDerWaalsContact C-N 3.26Å; C276-S278 PolarHBondContact O-N 3.42Å; C276-Y279 VanDerWaalsContact O-CB 3.24Å; C276-Y279 WeakPolarHBondContact O-CB 3.31Å; C276-Y279 PolarHBondContact O-N 3.45Å; C276-Y279 VanDerWaalsContact O-N 3.15Å; C276-F280 WeakPolarHBondContact O-CD2 3.39Å; C276-W381 WeakPolarHBondContact SG-CZ2 3.26Å
277Q98.3Very high97.1Very high7 Ų716.4 Ų16.43%0.0338%0.079CC..Hα-helixtrans-59.9-37.5175.5-68.6174.2-0.600112.4E273 R274 F280 G281 C282 V283 E385E273-Q277 VanDerWaalsContact O-CG 3.32Å; E273-Q277 WeakPolarHBondContact O-CG 3.37Å; E273-Q277 PolarHBondContact O-N 2.98Å; R274-Q277 VanDerWaalsContact NH1-NE2 3.16Å; R274-Q277 PolarHBondContact O-N 3.23Å; Q277-F280 CarbonylContact O-C 3.58Å; Q277-F280 PolarHBondContact O-N 3.1Å; Q277-G281 PolarHBondContact O-N 3.23Å; Q277-C282 PolarHBondContact O-N 3.18Å; Q277-C282 PolarHBondContact O-SG 2.92Å; Q277-V283 HydrophobicContact CB-CB 4.5Å; Q277-V283 HydrophobicContact CB-CG2 3.98Å; Q277-E385 WeakPolarHBondContact CG-OE1 3.33Å; Q277-E385 WeakPolarHBondContact CG-OE2 3.06Å; Q277-E385 PolarHBondContact NE2-OE1 3.12Å; Q277-E385 PolarHBondContact NE2-OE2 2.92Å
278S98.3Very high96.8Very high0 Ų015.4 Ų15.40%08%0.076CC..Hα-helixtrans-63.6-40.4176.3-175.30000111.7E66 R274 A275 C276 F280 G281 K335 Y336E66-S278 VanDerWaalsContact OE1-C 3.31Å; E66-S278 WeakPolarHBondContact OE1-CB 3.3Å; E66-S278 PolarHBondContact OE1-OG 2.89Å; R274-S278 VanDerWaalsContact O-CB 3.29Å; R274-S278 WeakPolarHBondContact O-CB 3.24Å; R274-S278 PolarHBondContact O-N 3.27Å; A275-S278 WeakPolarHBondContact O-CB 3.37Å; A275-S278 PolarHBondContact O-N 3.11Å; C276-S278 VanDerWaalsContact C-N 3.26Å; C276-S278 PolarHBondContact O-N 3.42Å; S278-F280 PolarHBondContact O-N 3.07Å; S278-F280 VanDerWaalsContact O-N 3.12Å; S278-G281 PolarHBondContact O-N 2.82Å; S278-K335 VanDerWaalsContact O-CD 3.3Å; S278-K335 WeakPolarHBondContact O-CD 3.45Å; S278-K335 WeakPolarHBondContact O-CE 3.47Å; S278-K335 PolarHBondContact O-NZ 2.92Å; S278-K335 WeakPolarHBondContact OG-CD 3.42Å; S278-Y336 PolarHBondContact OG-N 3.3Å; S278-Y336 PolarHBondContact OG-O 3.46Å
279Y98.1Very high96.8Very high57 Ų5715.4 Ų15.422%0.2248%0.076CC..Hα-helixtrans-49.6-42.4174.3-172.9-88.8000111.8F62 L65 E66 R69 A275 C276F62-Y279 HydrophobicContact CB-CD1 4.38Å; F62-Y279 HydrophobicContact CB-CG 4.24Å; F62-Y279 AromaticContact CD1-CD1 3.52Å; F62-Y279 HydrophobicContact CD1-CD1 3.52Å; F62-Y279 HydrophobicContact CD1-CD2 4.33Å; F62-Y279 AromaticContact CD1-CE1 3.41Å; F62-Y279 HydrophobicContact CD1-CE1 3.41Å; F62-Y279 VanDerWaalsContact CD1-CE1 3.41Å; F62-Y279 HydrophobicContact CD1-CE2 4.2Å; F62-Y279 HydrophobicContact CD1-CG 4Å; F62-Y279 AromaticContact CD1-CZ 3.76Å; F62-Y279 HydrophobicContact CE1-CD1 4.14Å; F62-Y279 AromaticContact CE1-CE1 3.63Å; F62-Y279 HydrophobicContact CE1-CE1 3.63Å; F62-Y279 HydrophobicContact CG-CD1 4.2Å; F62-Y279 HydrophobicContact CG-CE1 4.47Å; L65-Y279 HydrophobicContact CB-CD2 3.99Å; L65-Y279 HydrophobicContact CB-CE2 3.67Å; L65-Y279 HydrophobicContact CD1-CE2 4.1Å; E66-Y279 HydrophobicContact CB-CD2 4.28Å; E66-Y279 WeakPolarHBondContact OE2-CA 3.26Å; R69-Y279 VanDerWaalsContact NH2-CE2 3.26Å; R69-Y279 VanDerWaalsContact NH2-CZ 3.33Å; R69-Y279 PolarHBondContact NH2-OH 3.36Å; A275-Y279 PolarHBondContact O-N 3.22Å; C276-Y279 VanDerWaalsContact O-CB 3.24Å; C276-Y279 WeakPolarHBondContact O-CB 3.31Å; C276-Y279 PolarHBondContact O-N 3.45Å; C276-Y279 VanDerWaalsContact O-N 3.15Å
280F98.1Very high96.9Very high59 Ų5914.7 Ų14.726%0.2597%0.071SC..THydrogen-bonded Turntrans-90.81.7178.9-65.9-74.4000114.9F62 C276 Q277 S278 C282 W381F62-F280 HydrophobicContact CB-CE2 4.05Å; F62-F280 HydrophobicContact CD1-CE2 4.08Å; F62-F280 AromaticContact CD1-CZ 3.89Å; F62-F280 HydrophobicContact CD1-CZ 3.89Å; F62-F280 AromaticContact CD2-CE2 3.62Å; F62-F280 HydrophobicContact CD2-CE2 3.62Å; F62-F280 AromaticContact CD2-CZ 3.67Å; F62-F280 HydrophobicContact CD2-CZ 3.67Å; F62-F280 HydrophobicContact CE1-CE2 4.48Å; F62-F280 AromaticContact CE1-CZ 3.84Å; F62-F280 HydrophobicContact CE1-CZ 3.84Å; F62-F280 HydrophobicContact CE2-CE2 4.07Å; F62-F280 AromaticContact CE2-CZ 3.64Å; F62-F280 HydrophobicContact CE2-CZ 3.64Å; F62-F280 AromaticContact CG-CE2 3.64Å; F62-F280 HydrophobicContact CG-CE2 3.64Å; F62-F280 AromaticContact CG-CZ 3.82Å; F62-F280 HydrophobicContact CG-CZ 3.82Å; F62-F280 HydrophobicContact CZ-CE2 4.48Å; F62-F280 AromaticContact CZ-CZ 3.73Å; F62-F280 HydrophobicContact CZ-CZ 3.73Å; C276-F280 WeakPolarHBondContact O-CD2 3.39Å; Q277-F280 CarbonylContact O-C 3.58Å; Q277-F280 PolarHBondContact O-N 3.1Å; S278-F280 PolarHBondContact O-N 3.07Å; S278-F280 VanDerWaalsContact O-N 3.12Å; F280-C282 VanDerWaalsContact C-N 3.3Å; F280-C282 PolarHBondContact O-N 3.38Å; F280-W381 HydrophobicContact CB-CB 4.13Å; F280-W381 HydrophobicContact CB-CG 4.37Å; F280-W381 HydrophobicContact CD1-CB 3.78Å; F280-W381 HydrophobicContact CD1-CG 4.32Å; F280-W381 HydrophobicContact CD2-CB 3.64Å; F280-W381 AromaticContact CD2-CD1 3.38Å; F280-W381 AromaticContact CD2-CD2 3.72Å; F280-W381 HydrophobicContact CD2-CD2 3.72Å; F280-W381 HydrophobicContact CD2-CE3 4.48Å; F280-W381 AromaticContact CD2-CG 3.25Å; F280-W381 HydrophobicContact CD2-CG 3.25Å; F280-W381 AromaticContact CD2-NE1 3.89Å; F280-W381 HydrophobicContact CE1-CB 4.03Å; F280-W381 HydrophobicContact CE1-CG 4.46Å; F280-W381 HydrophobicContact CE2-CB 3.9Å; F280-W381 AromaticContact CE2-CD1 3.91Å; F280-W381 AromaticContact CE2-CD2 3.38Å; F280-W381 HydrophobicContact CE2-CD2 3.38Å; F280-W381 AromaticContact CE2-CE2 3.9Å; F280-W381 AromaticContact CE2-CE3 3.73Å; F280-W381 HydrophobicContact CE2-CE3 3.73Å; F280-W381 AromaticContact CE2-CG 3.43Å; F280-W381 HydrophobicContact CE2-CG 3.43Å; F280-W381 VanDerWaalsContact CE2-CG 3.43Å; F280-W381 HydrophobicContact CE2-CZ3 4.47Å; F280-W381 HydrophobicContact CG-CB 3.57Å; F280-W381 AromaticContact CG-CD1 3.98Å; F280-W381 AromaticContact CG-CG 3.73Å; F280-W381 HydrophobicContact CG-CG 3.73Å; F280-W381 HydrophobicContact CZ-CB 4.08Å; F280-W381 AromaticContact CZ-CD2 3.99Å; F280-W381 HydrophobicContact CZ-CD2 3.99Å; F280-W381 AromaticContact CZ-CE3 3.93Å; F280-W381 HydrophobicContact CZ-CE3 3.93Å; F280-W381 HydrophobicContact CZ-CG 4.05Å
281G98Very high96.9Very high3 Ų314 Ų143%0.0317%0.068CC..THydrogen-bonded Turntrans67.525.817900000114.4Q277 S278 K333 T334Q277-G281 PolarHBondContact O-N 3.23Å; S278-G281 PolarHBondContact O-N 2.82Å; G281-K333 VanDerWaalsContact O-CA 3.26Å; G281-K333 WeakPolarHBondContact O-CA 3.42Å; G281-K333 WeakPolarHBondContact O-CB 3.47Å; G281-T334 CarbonylContact C-O 3.54Å; G281-T334 PolarHBondContact O-N 2.68Å
282C97.4Very high97Very high0 Ų013.5 Ų13.50%07%0.065CC..BIsolated β-bridgetrans-129.339.5-170.9670000112.8Q277 F280 Q284 T334 M382Q277-C282 PolarHBondContact O-N 3.18Å; Q277-C282 PolarHBondContact O-SG 2.92Å; F280-C282 VanDerWaalsContact C-N 3.3Å; F280-C282 PolarHBondContact O-N 3.38Å; C282-Q284 WeakPolarHBondContact O-CG 3.45Å; C282-Q284 PolarHBondContact O-N 3.07Å; C282-T334 PolarHBondContact N-O 2.69Å; C282-M382 HydrophobicContact CB-CB 3.86Å; C282-M382 HydrophobicContact CB-CG 4.05Å; C282-M382 HydrophobicContact CB-SD 3.78Å
283V98.2Very high97.1Very high2 Ų213.4 Ų13.41%0.0127%0.065CC..  trans-55.7113.9172.9171.50000109.7Q277 C285 I286 T324 T334Q277-V283 HydrophobicContact CB-CB 4.5Å; Q277-V283 HydrophobicContact CB-CG2 3.98Å; V283-C285 VanDerWaalsContact C-N 3.32Å; V283-C285 PolarHBondContact O-N 3.02Å; V283-I286 HydrophobicContact CG1-CG1 4.14Å; V283-T324 WeakPolarHBondContact O-CG2 3.48Å; V283-T334 WeakPolarHBondContact CA-OG1 3.47Å; V283-T334 PolarHBondContact N-O 2.43Å; V283-T334 PolarHBondContact N-OG1 2.91Å; V283-T334 WeakPolarHBondContact O-CB 3.32Å; V283-T334 PolarHBondContact O-OG1 3.35Å
284Q95.4Very high97.2Very high18 Ų1812.9 Ų12.98%0.0846%0.06CC..SBendtrans-82.6-12-171-56.5-167.838.100113.4C282 E385 S386C282-Q284 WeakPolarHBondContact O-CG 3.45Å; C282-Q284 PolarHBondContact O-N 3.07Å; Q284-E385 PolarHBondContact NE2-OE2 3.27Å; Q284-S386 PolarHBondContact NE2-OG 3.49Å
285C96.2Very high97.3Very high12 Ų1211.2 Ų11.28%0.0815%0.054CC..  trans-153.5102.9178.2-174.60000109.9R274 V283 R321R274-C285 PolarHBondContact NE-O 3.06Å; V283-C285 VanDerWaalsContact C-N 3.32Å; V283-C285 PolarHBondContact O-N 3.02Å; C285-R321 HydrophobicContact CB-CB 4.43Å; C285-R321 HydrophobicContact CB-CG 4.16Å
286I97.8Very high97.2Very high1 Ų114.5 Ų14.51%0.0058%0.077CC..  trans-76.9122163.8-65.6166.1000106.8G243 V283 G291 Y293 D320 T324 T334G243-I286 VanDerWaalsContact C-CD1 3.47Å; V283-I286 HydrophobicContact CG1-CG1 4.14Å; I286-G291 VanDerWaalsContact CG2-CA 3.49Å; I286-Y293 WeakPolarHBondContact CB-OH 3.15Å; I286-Y293 HydrophobicContact CD1-CE1 3.81Å; I286-Y293 HydrophobicContact CG2-CE2 4.48Å; I286-Y293 WeakPolarHBondContact CG2-OH 3.24Å; I286-D320 VanDerWaalsContact O-CB 3.23Å; I286-D320 WeakPolarHBondContact O-CB 3.14Å; I286-T324 HydrophobicContact CD1-CG2 4.31Å; I286-T324 HydrophobicContact CG1-CG2 4.16Å; I286-T324 PolarHBondContact N-OG1 3.35Å; I286-T334 HydrophobicContact CD1-CG2 4.16Å
287S94.4Very high97.2Very high24 Ų2414.5 Ų14.517%0.1688%0.077CC..  trans-77.3140.4-171.1-58.50000111.8F270 P289 L290F270-S287 WeakPolarHBondContact CE1-OG 3.48Å; F270-S287 WeakPolarHBondContact CZ-OG 3.43Å; S287-P289 VanDerWaalsContact C-CD 3.42Å; S287-P289 VanDerWaalsContact C-N 3.35Å; S287-L290 CarbonylContact O-C 3.54Å; S287-L290 PolarHBondContact O-N 2.82Å
288G91.3Very high97.2Very high1 Ų114.2 Ų14.21%0.018%0.076CC..THydrogen-bonded Turntrans-52.1-37.6-179.900000116.5V216 C217 L290 D320V216-G288 CarbonylContact C-O 3.54Å; C217-G288 WeakPolarHBondContact CA-O 3.33Å; G288-L290 PolarHBondContact O-N 3.26Å; G288-D320 WeakPolarHBondContact CA-OD1 3.33Å; G288-D320 WeakPolarHBondContact CA-OD2 3.02Å; G288-D320 VanDerWaalsContact N-CG 3.27Å; G288-D320 PolarHBondContact N-OD2 3.38Å
289P95.5Very high97.2Very high13 Ų1316.2 Ų16.28%0.0849%0.085CC..THydrogen-bonded Turntrans-59.4-29.7178.1-32.339.4000115.2D218 T221 V248 S287 T344D218-P289 HydrophobicContact CB-CG 4.4Å; D218-P289 WeakPolarHBondContact OD2-CD 3.5Å; T221-P289 HydrophobicContact CG2-CB 3.91Å; T221-P289 WeakPolarHBondContact OG1-CB 3.45Å; V248-P289 HydrophobicContact CG1-CB 3.94Å; V248-P289 HydrophobicContact CG1-CG 4.12Å; V248-P289 HydrophobicContact CG2-CB 4.09Å; S287-P289 VanDerWaalsContact C-CD 3.42Å; S287-P289 VanDerWaalsContact C-N 3.35Å; P289-T344 HydrophobicContact CG-CG2 4.28Å
290L97.4Very high97.2Very high0 Ų021.4 Ų21.40%010%0.104CC..SBendtrans-158.490.3-175.8-172.759.3000111.7L223 C227 M231 G245 G246 V248 S287 G288 S340 Q341 C342L223-L290 HydrophobicContact CD2-CD1 3.81Å; C227-L290 HydrophobicContact CB-CD1 4.09Å; C227-L290 HydrophobicContact CB-CD2 4.47Å; M231-L290 HydrophobicContact CE-CD1 3.39Å; M231-L290 HydrophobicContact CE-CG 4.06Å; M231-L290 HydrophobicContact SD-CD1 4.12Å; M231-L290 HydrophobicContact SD-CG 4.12Å; G245-L290 WeakPolarHBondContact CA-O 3.49Å; G246-L290 PolarHBondContact N-O 2.86Å; G246-L290 VanDerWaalsContact N-O 3.07Å; V248-L290 HydrophobicContact CG2-CB 4.28Å; S287-L290 CarbonylContact O-C 3.54Å; S287-L290 PolarHBondContact O-N 2.82Å; G288-L290 PolarHBondContact O-N 3.26Å; L290-S340 WeakPolarHBondContact CD2-OG 3.26Å; L290-Q341 VanDerWaalsContact CD2-C 3.47Å; L290-C342 HydrophobicContact CB-CB 4.33Å; L290-C342 VanDerWaalsContact CB-SG 3.54Å; L290-C342 HydrophobicContact CD2-CB 3.84Å
291G98.1Very high97.1Very high0 Ų018.6 Ų18.60%09%0.092CC..EExtended strand (participates in β ladder)trans-141.2150.9174.500000112.2Q215 V216 V244 I286Q215-G291 CarbonylContact C-O 3.57Å; Q215-G291 VanDerWaalsContact CA-O 3.24Å; Q215-G291 WeakPolarHBondContact CA-O 3.39Å; Q215-G291 WeakPolarHBondContact CG-O 3.41Å; V216-G291 PolarHBondContact N-O 3.19Å; V216-G291 PolarHBondContact O-N 2.97Å; V244-G291 CarbonylContact O-C 3.13Å; V244-G291 WeakPolarHBondContact O-CA 3.29Å; I286-G291 VanDerWaalsContact CG2-CA 3.49Å
292M98.6Very high97Very high0 Ų018.5 Ų18.50%09%0.091CC..EExtended strand (participates in β ladder)trans-134.9139.1175.3-173.2-175.5-71.200110.8V83 Y213 V214 Q215 T228 M231 L232 L235 G243 V244V83-M292 HydrophobicContact CG1-CE 3.9Å; Y213-M292 HydrophobicContact CD1-SD 4.42Å; Y213-M292 HydrophobicContact CG-SD 4.34Å; V214-M292 CarbonylContact O-C 3.56Å; V214-M292 WeakPolarHBondContact O-CA 3.31Å; Q215-M292 HydrophobicContact CB-CB 4.46Å; Q215-M292 HydrophobicContact CB-CE 4.11Å; Q215-M292 HydrophobicContact CB-CG 4.4Å; Q215-M292 HydrophobicContact CG-CE 4.41Å; T228-M292 HydrophobicContact CG2-CE 3.75Å; T228-M292 WeakPolarHBondContact O-CE 3.24Å; M231-M292 HydrophobicContact CB-CB 4.13Å; M231-M292 HydrophobicContact CB-CE 4Å; M231-M292 HydrophobicContact CB-SD 4.1Å; M231-M292 HydrophobicContact CE-CB 4.16Å; M231-M292 HydrophobicContact CE-CE 4.16Å; M231-M292 HydrophobicContact SD-CB 3.96Å; L232-M292 HydrophobicContact CB-SD 4.4Å; L235-M292 HydrophobicContact CD1-CB 4.04Å; L235-M292 HydrophobicContact CD1-CG 3.63Å; L235-M292 HydrophobicContact CD1-SD 3.59Å; L235-M292 VanDerWaalsContact CD1-SD 3.59Å; G243-M292 CarbonylContact C-O 3.54Å; G243-M292 WeakPolarHBondContact CA-O 3.32Å; V244-M292 HydrophobicContact CG1-CB 4.03Å; V244-M292 PolarHBondContact N-O 2.91Å; V244-M292 PolarHBondContact O-N 3.1Å
293Y98.7Very high96.8Very high1 Ų121.5 Ų21.50%0.00411%0.105CC..EExtended strand (participates in β ladder)trans-130.4147.7-175.2-59.1-89.3000111.3Y213 V214 V216 I286 N295 L323 V327Y213-Y293 WeakPolarHBondContact CA-O 3.29Å; V214-Y293 PolarHBondContact N-O 2.87Å; V214-Y293 PolarHBondContact O-N 2.85Å; V216-Y293 HydrophobicContact CG2-CE2 4.1Å; I286-Y293 WeakPolarHBondContact CB-OH 3.15Å; I286-Y293 HydrophobicContact CD1-CE1 3.81Å; I286-Y293 HydrophobicContact CG2-CE2 4.48Å; I286-Y293 WeakPolarHBondContact CG2-OH 3.24Å; Y293-N295 PolarHBondContact O-N 3.05Å; Y293-L323 HydrophobicContact CD1-CG 4.38Å; Y293-L323 HydrophobicContact CD2-CD2 3.96Å; Y293-L323 HydrophobicContact CE1-CD2 4.1Å; Y293-L323 HydrophobicContact CE1-CG 3.82Å; Y293-L323 HydrophobicContact CE2-CD2 3.38Å; Y293-L323 HydrophobicContact CE2-CG 4.06Å; Y293-L323 VanDerWaalsContact CZ-CD2 3.45Å; Y293-V327 HydrophobicContact CD1-CG2 3.81Å; Y293-V327 HydrophobicContact CE1-CG2 4.05Å
294R98.4Very high96.5Very high37 Ų3724.5 Ų24.514%0.1412%0.124CC..EExtended strand (participates in β ladder)trans-63.7119.4167.4-73.7-178178.9-77.8-0.1109.2Y213 L235 D238 V241 G242 S296 L297 L298Y213-R294 HydrophobicContact CD1-CG 4.27Å; Y213-R294 HydrophobicContact CE1-CB 4.47Å; Y213-R294 HydrophobicContact CE1-CG 3.64Å; Y213-R294 PolarHBondContact OH-NH1 2.67Å; L235-R294 HydrophobicContact CD2-CG 4.21Å; L235-R294 PolarHBondContact O-NH2 3.1Å; D238-R294 PolarHBondContact O-NH2 3.12Å; V241-R294 WeakPolarHBondContact O-CD 3.39Å; V241-R294 PolarHBondContact O-NE 3.37Å; G242-R294 PolarHBondContact O-N 3.29Å; R294-S296 VanDerWaalsContact C-N 3.34Å; R294-S296 PolarHBondContact O-N 3.16Å; R294-L297 HydrophobicContact CB-CB 4.13Å; R294-L297 PolarHBondContact O-N 2.97Å; R294-L297 VanDerWaalsContact O-N 3.17Å; R294-L298 PolarHBondContact O-N 3.09Å
295N98.3Very high96.5Very high1 Ų123.7 Ų23.71%0.00512%0.12CC..Hα-helixtrans-65.9-40.1-175.8-171.133000111.6G208 V211 D212 V214 Y293 L297 L298 Q299G208-N295 PolarHBondContact O-ND2 3.35Å; V211-N295 VanDerWaalsContact O-CB 3.31Å; V211-N295 WeakPolarHBondContact O-CB 3.28Å; V211-N295 PolarHBondContact O-ND2 2.93Å; D212-N295 VanDerWaalsContact O-CB 3.25Å; D212-N295 WeakPolarHBondContact O-CB 3.12Å; D212-N295 PolarHBondContact O-N 3.38Å; V214-N295 HydrophobicContact CG2-CB 4.02Å; V214-N295 WeakPolarHBondContact CG2-OD1 3.08Å; Y293-N295 PolarHBondContact O-N 3.05Å; N295-L297 PolarHBondContact O-N 3.21Å; N295-L297 VanDerWaalsContact O-N 3.12Å; N295-L298 WeakPolarHBondContact O-CB 3.42Å; N295-L298 PolarHBondContact O-N 3.45Å; N295-Q299 WeakPolarHBondContact O-CG 3.25Å; N295-Q299 PolarHBondContact O-N 3.1Å; N295-Q299 PolarHBondContact OD1-NE2 2.95Å
296S97.6Very high96.3Very high68 Ų6823.3 Ų23.348%0.47612%0.118SC..Hα-helixtrans-58.8-26.8176.361.40000114R294 R300R294-S296 VanDerWaalsContact C-N 3.34Å; R294-S296 PolarHBondContact O-N 3.16Å; S296-R300 WeakPolarHBondContact O-CD 3.49Å; S296-R300 VanDerWaalsContact O-CG 3.3Å; S296-R300 WeakPolarHBondContact O-CG 3.21Å; S296-R300 PolarHBondContact O-NE 2.92Å
297L98.1Very high96Very high1 Ų128.2 Ų28.21%0.00514%0.14CC..Hα-helixtrans-85-43.6172.9-178.562.7000111.1R294 N295 Q299 R300 F301 V327 F330 Y332R294-L297 HydrophobicContact CB-CB 4.13Å; R294-L297 PolarHBondContact O-N 2.97Å; R294-L297 VanDerWaalsContact O-N 3.17Å; N295-L297 PolarHBondContact O-N 3.21Å; N295-L297 VanDerWaalsContact O-N 3.12Å; L297-Q299 PolarHBondContact O-N 3.01Å; L297-R300 WeakPolarHBondContact O-CB 3.24Å; L297-R300 PolarHBondContact O-N 3.09Å; L297-R300 VanDerWaalsContact O-N 3.16Å; L297-F301 HydrophobicContact CD1-CD1 4.35Å; L297-F301 HydrophobicContact CD2-CE1 4.36Å; L297-F301 HydrophobicContact CG-CD1 4.09Å; L297-F301 HydrophobicContact CG-CE1 3.83Å; L297-F301 WeakPolarHBondContact O-CD1 3.3Å; L297-F301 PolarHBondContact O-N 3.46Å; L297-V327 HydrophobicContact CD2-CB 4.47Å; L297-V327 HydrophobicContact CD2-CG1 4Å; L297-V327 HydrophobicContact CD2-CG2 4.32Å; L297-F330 HydrophobicContact CD1-CB 4.09Å; L297-F330 HydrophobicContact CD1-CD1 4Å; L297-F330 HydrophobicContact CD1-CG 4.03Å; L297-Y332 HydrophobicContact CD1-CD2 3.89Å; L297-Y332 HydrophobicContact CD1-CE2 3.64Å; L297-Y332 HydrophobicContact CD2-CD1 4.01Å; L297-Y332 HydrophobicContact CD2-CD2 3.64Å; L297-Y332 HydrophobicContact CD2-CE1 4.37Å; L297-Y332 HydrophobicContact CD2-CE2 4.03Å; L297-Y332 HydrophobicContact CD2-CG 3.62Å; L297-Y332 HydrophobicContact CG-CD2 4.42Å; L297-Y332 HydrophobicContact CG-CE2 4.43Å
298L98.1Very high95.7Very high0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-52.7-50.7176.5178.966000111.7F204 V214 R294 N295 R300 F301 L302 L323F204-L298 HydrophobicContact CB-CD2 4.26Å; F204-L298 HydrophobicContact CD1-CD2 3.91Å; F204-L298 HydrophobicContact CD2-CD1 3.99Å; F204-L298 HydrophobicContact CD2-CD2 4.05Å; F204-L298 HydrophobicContact CD2-CG 4.34Å; F204-L298 HydrophobicContact CE1-CD2 4.24Å; F204-L298 HydrophobicContact CE2-CD1 4.03Å; F204-L298 HydrophobicContact CE2-CD2 4.35Å; F204-L298 HydrophobicContact CG-CD2 3.81Å; F204-L298 HydrophobicContact CG-CG 4.46Å; F204-L298 HydrophobicContact CZ-CD2 4.44Å; V214-L298 HydrophobicContact CB-CD2 3.89Å; V214-L298 HydrophobicContact CG1-CD2 4.19Å; V214-L298 HydrophobicContact CG2-CD2 3.87Å; R294-L298 PolarHBondContact O-N 3.09Å; N295-L298 WeakPolarHBondContact O-CB 3.42Å; N295-L298 PolarHBondContact O-N 3.45Å; L298-R300 VanDerWaalsContact C-N 3.26Å; L298-R300 PolarHBondContact O-N 3.03Å; L298-F301 HydrophobicContact CB-CZ 4.45Å; L298-F301 HydrophobicContact CD1-CE2 3.61Å; L298-F301 HydrophobicContact CD1-CZ 3.84Å; L298-F301 PolarHBondContact O-N 3.27Å; L298-F301 VanDerWaalsContact O-N 3.16Å; L298-L302 WeakPolarHBondContact O-CB 3.44Å; L298-L302 PolarHBondContact O-N 3.32Å; L298-L323 HydrophobicContact CD1-CD1 3.62Å
299Q97.8Very high95.6Very high42 Ų4232.1 Ų32.120%0.19616%0.162CC..Hα-helixtrans-61.6-32.9-179.1-63.2-57.7-36.600112.5F204 G208 N295 L297 F301F204-Q299 PolarHBondContact O-NE2 3.36Å; G208-Q299 PolarHBondContact O-NE2 3.43Å; N295-Q299 WeakPolarHBondContact O-CG 3.25Å; N295-Q299 PolarHBondContact O-N 3.1Å; N295-Q299 PolarHBondContact OD1-NE2 2.95Å; L297-Q299 PolarHBondContact O-N 3.01Å; Q299-F301 VanDerWaalsContact C-N 3.32Å; Q299-F301 PolarHBondContact O-N 2.79Å
300R97.1Very high95.2Very high166 Ų16633.4 Ų33.463%0.62617%0.166SC*.Hα-helixtrans-66-32.7177.9-69.1173.3-168.1-159.50113.1S296 L297 L298 F330S296-R300 WeakPolarHBondContact O-CD 3.49Å; S296-R300 VanDerWaalsContact O-CG 3.3Å; S296-R300 WeakPolarHBondContact O-CG 3.21Å; S296-R300 PolarHBondContact O-NE 2.92Å; L297-R300 WeakPolarHBondContact O-CB 3.24Å; L297-R300 PolarHBondContact O-N 3.09Å; L297-R300 VanDerWaalsContact O-N 3.16Å; L298-R300 VanDerWaalsContact C-N 3.26Å; L298-R300 PolarHBondContact O-N 3.03Å; R300-F330 HydrophobicContact CB-CE1 4.48Å
301F96Very high94.6Very high0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-109.33.4-176.968.9-123.5000114L297 L298 Q299 E303 P304 W305 L323 R326 V327 F330L297-F301 HydrophobicContact CD1-CD1 4.35Å; L297-F301 HydrophobicContact CD2-CE1 4.36Å; L297-F301 HydrophobicContact CG-CD1 4.09Å; L297-F301 HydrophobicContact CG-CE1 3.83Å; L297-F301 WeakPolarHBondContact O-CD1 3.3Å; L297-F301 PolarHBondContact O-N 3.46Å; L298-F301 HydrophobicContact CB-CZ 4.45Å; L298-F301 HydrophobicContact CD1-CE2 3.61Å; L298-F301 HydrophobicContact CD1-CZ 3.84Å; L298-F301 PolarHBondContact O-N 3.27Å; L298-F301 VanDerWaalsContact O-N 3.16Å; Q299-F301 VanDerWaalsContact C-N 3.32Å; Q299-F301 PolarHBondContact O-N 2.79Å; F301-E303 PolarHBondContact O-N 3Å; F301-P304 VanDerWaalsContact O-CD 3.26Å; F301-P304 WeakPolarHBondContact O-CD 3.31Å; F301-W305 HydrophobicContact CD2-CB 4.01Å; F301-W305 HydrophobicContact CE2-CB 4.48Å; F301-W305 VanDerWaalsContact O-CB 3.29Å; F301-W305 WeakPolarHBondContact O-CB 3.25Å; F301-W305 PolarHBondContact O-N 3.27Å; F301-L323 HydrophobicContact CE2-CD1 3.37Å; F301-L323 HydrophobicContact CZ-CD1 3.69Å; F301-R326 HydrophobicContact CB-CB 4.39Å; F301-R326 HydrophobicContact CD1-CB 3.99Å; F301-R326 HydrophobicContact CD2-CB 3.67Å; F301-R326 HydrophobicContact CD2-CG 4.2Å; F301-R326 HydrophobicContact CE1-CB 4.11Å; F301-R326 HydrophobicContact CE2-CB 3.86Å; F301-R326 HydrophobicContact CG-CB 3.78Å; F301-R326 HydrophobicContact CZ-CB 4.07Å; F301-V327 HydrophobicContact CE1-CG2 3.87Å; F301-V327 HydrophobicContact CZ-CG2 4Å; F301-F330 HydrophobicContact CB-CD2 4.48Å; F301-F330 HydrophobicContact CB-CE2 3.61Å; F301-F330 HydrophobicContact CB-CZ 3.96Å; F301-F330 HydrophobicContact CD1-CD2 4.32Å; F301-F330 HydrophobicContact CD1-CE2 4.23Å; F301-F330 HydrophobicContact CG-CE2 4.38Å
302L95.9Very high93.7Very high1 Ų142.6 Ų42.61%0.00523%0.232CC..Hα-helixtrans-55.4-50.4-172.8-17961.2000112.4Y201 F204 K205 L298 W305 Y306Y201-L302 HydrophobicContact CD2-CD1 3.69Å; Y201-L302 HydrophobicContact CD2-CD2 4.33Å; Y201-L302 HydrophobicContact CD2-CG 3.83Å; Y201-L302 HydrophobicContact CE2-CD1 4.1Å; Y201-L302 HydrophobicContact CE2-CD2 4.07Å; Y201-L302 HydrophobicContact CE2-CG 3.68Å; F204-L302 HydrophobicContact CB-CD1 3.72Å; F204-L302 HydrophobicContact CB-CD2 4.15Å; F204-L302 HydrophobicContact CD2-CD1 3.75Å; F204-L302 HydrophobicContact CG-CD1 4.25Å; K205-L302 HydrophobicContact CB-CD2 4.23Å; K205-L302 HydrophobicContact CD-CD2 4.02Å; L298-L302 WeakPolarHBondContact O-CB 3.44Å; L298-L302 PolarHBondContact O-N 3.32Å; L302-W305 HydrophobicContact CD1-CE3 3.91Å; L302-W305 HydrophobicContact CD1-CZ3 4.07Å; L302-W305 PolarHBondContact O-N 2.7Å; L302-Y306 WeakPolarHBondContact O-CB 3.29Å; L302-Y306 PolarHBondContact O-N 3.49Å
303E93.9Very high92.8Very high63 Ų6345 Ų4529%0.29425%0.249SC..Hα-helixtrans-65.1-50.6-179.1-49-61.7163.900112Y201 K205 F301 W305 Y306 H307Y201-E303 WeakPolarHBondContact CE2-OE2 3.49Å; Y201-E303 PolarHBondContact OH-OE1 3.47Å; Y201-E303 PolarHBondContact OH-OE2 2.95Å; K205-E303 IonicContact NZ-OE1 3.14Å; K205-E303 PolarHBondContact NZ-OE1 3.32Å; F301-E303 PolarHBondContact O-N 3Å; E303-W305 VanDerWaalsContact C-N 3.26Å; E303-W305 PolarHBondContact O-N 3.31Å; E303-Y306 PolarHBondContact O-N 2.99Å; E303-H307 PolarHBondContact O-CD2 3.24Å; E303-H307 VanDerWaalsContact O-CD2 3.26Å; E303-H307 PolarHBondContact O-N 2.85Å
304P92.8Very high92Very high66 Ų6650.2 Ų50.243%0.42927%0.272SS..Hα-helixtrans-60.4-31.8174.9-25.933.8000114.7F301F301-P304 VanDerWaalsContact O-CD 3.26Å; F301-P304 WeakPolarHBondContact O-CD 3.31Å
305W94.3Very high91.1Very high0 Ų048.9 Ų48.90%027%0.268CS..Hα-helixtrans-67.7-43.6176.3167.780.7000111.3R197 M200 Y201 F204 F301 L302 E303 D319 H322 L323 R326R197-W305 HydrophobicContact CG-CH2 3.83Å; R197-W305 HydrophobicContact CG-CZ2 4.12Å; R197-W305 HydrophobicContact CG-CZ3 4.16Å; R197-W305 PolarHBondContact NH1-O 2.85Å; M200-W305 HydrophobicContact CB-CH2 3.75Å; M200-W305 HydrophobicContact CE-CZ2 4.31Å; M200-W305 HydrophobicContact SD-CZ2 4.48Å; Y201-W305 HydrophobicContact CD2-CZ3 4.42Å; F204-W305 HydrophobicContact CD2-CH2 4.27Å; F204-W305 HydrophobicContact CD2-CZ3 4.08Å; F204-W305 AromaticContact CE2-CH2 3.93Å; F204-W305 HydrophobicContact CE2-CH2 3.93Å; F204-W305 HydrophobicContact CE2-CZ2 4.4Å; F204-W305 HydrophobicContact CE2-CZ3 4.18Å; F301-W305 HydrophobicContact CD2-CB 4.01Å; F301-W305 HydrophobicContact CE2-CB 4.48Å; F301-W305 VanDerWaalsContact O-CB 3.29Å; F301-W305 WeakPolarHBondContact O-CB 3.25Å; F301-W305 PolarHBondContact O-N 3.27Å; L302-W305 HydrophobicContact CD1-CE3 3.91Å; L302-W305 HydrophobicContact CD1-CZ3 4.07Å; L302-W305 PolarHBondContact O-N 2.7Å; E303-W305 VanDerWaalsContact C-N 3.26Å; E303-W305 PolarHBondContact O-N 3.31Å; W305-D319 HydrophobicContact CZ2-CB 4.26Å; W305-D319 PolarHBondContact NE1-O 3.47Å; W305-H322 AromaticContact CD1-CD2 3.42Å; W305-H322 VanDerWaalsContact CD1-CD2 3.42Å; W305-L323 HydrophobicContact CD2-CD1 4.46Å; W305-L323 HydrophobicContact CG-CD1 4.39Å; W305-R326 HydrophobicContact CB-CG 4.09Å
306Y92.4Very high89.8Confident5 Ų552 Ų522%0.0229%0.29CS..Hα-helixtrans-67.9-47.1-179.6176.5-88.3000112.1H152 R197 E198 Y201 L302 E303 Q308 K314H152-Y306 HydrophobicContact CB-CE1 4.29Å; H152-Y306 AromaticContact CD2-CD1 3.68Å; H152-Y306 AromaticContact CD2-CE1 3.19Å; H152-Y306 WeakPolarHBondContact CD2-CE1 3.44Å; H152-Y306 AromaticContact CD2-CZ 3.77Å; H152-Y306 AromaticContact CE1-CD1 3.18Å; H152-Y306 WeakPolarHBondContact CE1-CD1 3.17Å; H152-Y306 AromaticContact CE1-CD2 3.64Å; H152-Y306 AromaticContact CE1-CE1 3.11Å; H152-Y306 WeakPolarHBondContact CE1-CE1 3.49Å; H152-Y306 AromaticContact CE1-CE2 3.52Å; H152-Y306 AromaticContact CE1-CG 3.45Å; H152-Y306 VanDerWaalsContact CE1-CG 3.45Å; H152-Y306 AromaticContact CE1-CZ 3.24Å; H152-Y306 AromaticContact CG-CE1 3.38Å; H152-Y306 AromaticContact CG-CZ 3.43Å; H152-Y306 VanDerWaalsContact CG-CZ 3.43Å; H152-Y306 AromaticContact ND1-CD1 3.94Å; H152-Y306 AromaticContact ND1-CE1 3.39Å; H152-Y306 WeakPolarHBondContact ND1-CE1 3.39Å; H152-Y306 AromaticContact ND1-CE2 3.59Å; H152-Y306 AromaticContact ND1-CZ 3.13Å; H152-Y306 PolarHBondContact ND1-OH 3.47Å; H152-Y306 AromaticContact NE2-CD1 2.99Å; H152-Y306 WeakPolarHBondContact NE2-CD1 3.5Å; H152-Y306 AromaticContact NE2-CE1 3.02Å; H152-Y306 WeakPolarHBondContact NE2-CE1 3.3Å; H152-Y306 AromaticContact NE2-CG 3.68Å; H152-Y306 AromaticContact NE2-CZ 3.66Å; R197-Y306 HydrophobicContact CG-CD2 3.93Å; R197-Y306 HydrophobicContact CG-CE2 4.4Å; E198-Y306 WeakPolarHBondContact OE2-CE2 3.38Å; E198-Y306 PolarHBondContact OE2-OH 3.46Å; Y201-Y306 HydrophobicContact CD1-CD2 4.46Å; Y201-Y306 AromaticContact CD2-CD2 3.64Å; Y201-Y306 HydrophobicContact CD2-CD2 3.64Å; Y201-Y306 AromaticContact CD2-CG 3.68Å; Y201-Y306 HydrophobicContact CD2-CG 3.68Å; Y201-Y306 HydrophobicContact CE2-CD2 4.4Å; Y201-Y306 HydrophobicContact CE2-CG 4.05Å; Y201-Y306 AromaticContact CG-CD2 3.63Å; Y201-Y306 HydrophobicContact CG-CD2 3.63Å; Y201-Y306 HydrophobicContact CG-CE2 4.18Å; Y201-Y306 HydrophobicContact CG-CG 4.12Å; L302-Y306 WeakPolarHBondContact O-CB 3.29Å; L302-Y306 PolarHBondContact O-N 3.49Å; E303-Y306 PolarHBondContact O-N 2.99Å; Y306-Q308 PolarHBondContact O-N 3.02Å; Y306-Q308 VanDerWaalsContact O-N 3.08Å; Y306-K314 VanDerWaalsContact CZ-NZ 3.32Å; Y306-K314 PolarHBondContact OH-NZ 2.8Å
307H90.6Very high88.8Confident104 Ų10449.4 Ų49.448%0.48127%0.27SS..THydrogen-bonded Turntrans-78.617.7-177.2-69.6-68.8000114.3H152 E303 T309H152-H307 AromaticContact CD2-CE1 3.54Å; H152-H307 AromaticContact CD2-NE2 3.78Å; H152-H307 AromaticContact NE2-CE1 3.66Å; H152-H307 AromaticContact NE2-NE2 3.5Å; H152-H307 PolarHBondContact NE2-NE2 2.96Å; E303-H307 PolarHBondContact O-CD2 3.24Å; E303-H307 VanDerWaalsContact O-CD2 3.26Å; E303-H307 PolarHBondContact O-N 2.85Å; H307-T309 PolarHBondContact O-N 3.41Å
308Q89.9Confident87.8Confident13 Ų1349.9 Ų49.96%0.06128%0.275CS..  trans-55.4125.9179.3-170.3-167.312.900111.7R197 Y306 C315 H322 E367R197-Q308 VanDerWaalsContact NH2-OE1 3.13Å; Y306-Q308 PolarHBondContact O-N 3.02Å; Y306-Q308 VanDerWaalsContact O-N 3.08Å; Q308-C315 HydrophobicContact CB-CB 4.48Å; Q308-C315 HydrophobicContact CG-CB 4.32Å; Q308-C315 PolarHBondContact O-N 3.47Å; Q308-C315 VanDerWaalsContact O-N 3.12Å; Q308-H322 VanDerWaalsContact CD-CD2 3.46Å; Q308-H322 VanDerWaalsContact CD-CE1 3.49Å; Q308-H322 VanDerWaalsContact CD-CG 3.41Å; Q308-H322 PolarHBondContact NE2-CE1 3.41Å; Q308-H322 PolarHBondContact NE2-ND1 2.99Å; Q308-H322 VanDerWaalsContact NE2-ND1 3.14Å; Q308-H322 PolarHBondContact OE1-CD2 2.77Å; Q308-H322 VanDerWaalsContact OE1-CD2 3.32Å; Q308-H322 VanDerWaalsContact OE1-CG 3.25Å; Q308-E367 PolarHBondContact NE2-OE1 3.33Å
309T88.4Confident87.4Confident93 Ų9350.2 Ų50.257%0.57128%0.277SS*.EExtended strand (participates in β ladder)trans-117.3154.7169.558.90000110.4H307 S313H307-T309 PolarHBondContact O-N 3.41Å; T309-S313 CarbonylContact C-O 3.54Å; T309-S313 VanDerWaalsContact CA-O 3.25Å; T309-S313 WeakPolarHBondContact CA-O 3.34Å
310F86.1Confident87.2Confident41 Ų4149.8 Ų49.818%0.1828%0.276CS..EExtended strand (participates in β ladder)trans-140.6125.9170.6-177.3-104000108.3G312 S313 R366 L369 I464 N465F310-G312 PolarHBondContact O-N 3.45Å; F310-S313 PolarHBondContact N-O 3.2Å; F310-S313 PolarHBondContact O-N 3.37Å; F310-R366 HydrophobicContact CB-CG 4.1Å; F310-R366 HydrophobicContact CD1-CG 4.11Å; F310-R366 HydrophobicContact CD2-CG 3.54Å; F310-R366 HydrophobicContact CE1-CG 4.42Å; F310-R366 HydrophobicContact CE2-CG 3.89Å; F310-R366 HydrophobicContact CG-CG 3.64Å; F310-R366 HydrophobicContact CZ-CG 4.32Å; F310-L369 HydrophobicContact CE2-CD1 4.11Å; F310-L369 HydrophobicContact CZ-CD1 4.03Å; F310-I464 HydrophobicContact CE1-CD1 3.9Å; F310-I464 HydrophobicContact CE1-CG1 3.95Å; F310-I464 HydrophobicContact CE1-CG2 4.02Å; F310-I464 HydrophobicContact CZ-CD1 4.03Å; F310-N465 PolarHBondContact O-OD1 2.83Å
311L84.8Confident87Confident118 Ų11843.9 Ų43.962%0.61825%0.254SS*.THydrogen-bonded Turntrans47.545.5-175.6-58.5177.4000112.6S313 N465L311-S313 VanDerWaalsContact C-N 3.25Å; L311-S313 PolarHBondContact O-N 3.02Å; L311-N465 HydrophobicContact CD1-CB 4.44Å
312G79.9Confident87Confident74 Ų7444 Ų4476%0.76325%0.254SS*.THydrogen-bonded Turntrans78.6-7.4178.500000115.9F310F310-G312 PolarHBondContact O-N 3.45Å
313S80.2Confident87Confident52 Ų5244 Ų4436%0.36425%0.254SS..EExtended strand (participates in β ladder)trans-104.6140.2-178.4-63.20000112.3T309 F310 L311 C315T309-S313 CarbonylContact C-O 3.54Å; T309-S313 VanDerWaalsContact CA-O 3.25Å; T309-S313 WeakPolarHBondContact CA-O 3.34Å; F310-S313 PolarHBondContact N-O 3.2Å; F310-S313 PolarHBondContact O-N 3.37Å; L311-S313 VanDerWaalsContact C-N 3.25Å; L311-S313 PolarHBondContact O-N 3.02Å; S313-C315 PolarHBondContact O-N 2.89Å
314K81.8Confident87.2Confident109 Ų10941 Ų4147%0.47424%0.24SC..EExtended strand (participates in β ladder)trans-64.1132173.1-171.8177.1-178.3-177.70109.8Y306 S316Y306-K314 VanDerWaalsContact CZ-NZ 3.32Å; Y306-K314 PolarHBondContact OH-NZ 2.8Å; K314-S316 PolarHBondContact O-N 2.99Å
315C79.8Confident87.4Confident9 Ų937.9 Ų37.96%0.06122%0.22CC..  trans-77.6122.4-179.9-69.20000111Q308 S313 R366Q308-C315 HydrophobicContact CB-CB 4.48Å; Q308-C315 HydrophobicContact CG-CB 4.32Å; Q308-C315 PolarHBondContact O-N 3.47Å; Q308-C315 VanDerWaalsContact O-N 3.12Å; S313-C315 PolarHBondContact O-N 2.89Å; C315-R366 VanDerWaalsContact SG-CD 3.51Å
316S69.4Low87.5Confident66 Ų6639.2 Ų39.246%0.46223%0.225SC..  trans-99.9-3.8-17758.70000115.2K314K314-S316 PolarHBondContact O-N 2.99Å
317F77.1Confident87.8Confident14 Ų1439 Ų396%0.06122%0.224CC..SBendtrans-147.4159.2-178.947.6-100.6000111R359 K362 R366F317-R359 HydrophobicContact CB-CG 4.11Å; F317-R359 HydrophobicContact CD1-CG 4.43Å; F317-R359 HydrophobicContact CD2-CG 4.34Å; F317-R359 HydrophobicContact CG-CG 4.04Å; F317-K362 HydrophobicContact CE2-CB 3.6Å; F317-K362 HydrophobicContact CZ-CB 3.95Å; F317-K362 HydrophobicContact CZ-CD 4.03Å; F317-R366 VanDerWaalsContact O-CZ 3.31Å; F317-R366 PolarHBondContact O-NH1 3.13Å; F317-R366 VanDerWaalsContact O-NH1 3.08Å; F317-R366 PolarHBondContact O-NH2 2.96Å
318G78.4Confident88.1Confident11 Ų1134 Ų3411%0.11320%0.201CC..  trans92.830176.200000114D320 R321 H322 S363G318-D320 PolarHBondContact O-N 3.29Å; G318-R321 PolarHBondContact O-N 3.45Å; G318-H322 PolarHBondContact O-N 3.48Å; G318-S363 WeakPolarHBondContact CA-OG 3.37Å
319D88.9Confident88.4Confident8 Ų833.7 Ų33.74%0.04320%0.2CC..Hα-helixtrans-59.9-44.9-173-48.9-56.8000111.8R197 M200 W305 H322 L323R197-D319 WeakPolarHBondContact CB-OD1 3.39Å; R197-D319 IonicContact CZ-OD1 3.49Å; R197-D319 IonicContact NE-OD1 2.66Å; R197-D319 PolarHBondContact NE-OD1 2.88Å; R197-D319 IonicContact NH2-OD1 2.67Å; R197-D319 PolarHBondContact NH2-OD1 2.92Å; M200-D319 HydrophobicContact SD-CB 4.07Å; W305-D319 HydrophobicContact CZ2-CB 4.26Å; W305-D319 PolarHBondContact NE1-O 3.47Å; D319-H322 PolarHBondContact O-N 3.41Å; D319-L323 WeakPolarHBondContact O-CB 3.19Å; D319-L323 PolarHBondContact O-N 3.14Å
320D92.6Very high88.8Confident32 Ų3233.2 Ų33.217%0.17119%0.191CC..Hα-helixtrans-67.2-41.7-178-28.8-45.6000112K196 I286 G288 G318 L323 T324K196-D320 IonicContact NZ-OD1 3.64Å; K196-D320 PolarHBondContact NZ-OD1 2.78Å; K196-D320 IonicContact NZ-OD2 2.69Å; I286-D320 VanDerWaalsContact O-CB 3.23Å; I286-D320 WeakPolarHBondContact O-CB 3.14Å; G288-D320 WeakPolarHBondContact CA-OD1 3.33Å; G288-D320 WeakPolarHBondContact CA-OD2 3.02Å; G288-D320 VanDerWaalsContact N-CG 3.27Å; G288-D320 PolarHBondContact N-OD2 3.38Å; G318-D320 PolarHBondContact O-N 3.29Å; D320-L323 WeakPolarHBondContact O-CB 3.45Å; D320-L323 PolarHBondContact O-N 2.89Å; D320-T324 WeakPolarHBondContact O-CB 3.42Å; D320-T324 PolarHBondContact O-N 2.75Å; D320-T324 PolarHBondContact O-OG1 3.2Å
321R94.5Very high89.2Confident43 Ų4332.3 Ų32.316%0.16219%0.192CC..Hα-helixtrans-69.9-40.3177.7-168.9179.2-74.91061.1111.2C285 G318 L323 T324 N325 S363 E367C285-R321 HydrophobicContact CB-CB 4.43Å; C285-R321 HydrophobicContact CB-CG 4.16Å; G318-R321 PolarHBondContact O-N 3.45Å; R321-L323 VanDerWaalsContact C-N 3.34Å; R321-T324 PolarHBondContact O-N 3.32Å; R321-N325 WeakPolarHBondContact O-CB 3.25Å; R321-N325 PolarHBondContact O-N 3.5Å; R321-S363 PolarHBondContact NH1-OG 3.14Å; R321-E367 HydrophobicContact CB-CB 4.47Å; R321-E367 HydrophobicContact CB-CG 3.94Å; R321-E367 HydrophobicContact CG-CB 3.64Å; R321-E367 HydrophobicContact CG-CG 3.66Å
322H95.3Very high89.9Confident2 Ų229.2 Ų29.21%0.00917%0.173CC..Hα-helixtrans-65.6-40.6174.4-165.554.1000111.5W305 Q308 G318 D319 T324 N325 R326 E367 Y370W305-H322 AromaticContact CD1-CD2 3.42Å; W305-H322 VanDerWaalsContact CD1-CD2 3.42Å; Q308-H322 VanDerWaalsContact CD-CD2 3.46Å; Q308-H322 VanDerWaalsContact CD-CE1 3.49Å; Q308-H322 VanDerWaalsContact CD-CG 3.41Å; Q308-H322 PolarHBondContact NE2-CE1 3.41Å; Q308-H322 PolarHBondContact NE2-ND1 2.99Å; Q308-H322 VanDerWaalsContact NE2-ND1 3.14Å; Q308-H322 PolarHBondContact OE1-CD2 2.77Å; Q308-H322 VanDerWaalsContact OE1-CD2 3.32Å; Q308-H322 VanDerWaalsContact OE1-CG 3.25Å; G318-H322 PolarHBondContact O-N 3.48Å; D319-H322 PolarHBondContact O-N 3.41Å; H322-T324 VanDerWaalsContact C-N 3.33Å; H322-T324 PolarHBondContact O-N 3.08Å; H322-N325 WeakPolarHBondContact O-CB 3.26Å; H322-N325 PolarHBondContact O-N 3.09Å; H322-R326 VanDerWaalsContact O-CG 3.32Å; H322-R326 WeakPolarHBondContact O-CG 3.17Å; H322-R326 PolarHBondContact O-N 3.03Å; H322-E367 WeakPolarHBondContact CA-OE2 2.99Å; H322-E367 IonicContact CG-OE1 2.93Å; H322-E367 IonicContact CG-OE2 3.21Å; H322-E367 IonicContact ND1-OE1 3.47Å; H322-E367 IonicContact ND1-OE2 2.67Å; H322-E367 PolarHBondContact ND1-OE2 2.85Å; H322-Y370 AromaticContact CE1-CZ 3.99Å
323L95.8Very high90.8Very high0 Ų029.5 Ų29.50%015%0.153CC..Hα-helixtrans-58.3-46.4175.9-17357.6000111.3M200 F204 Y293 L298 F301 W305 D319 D320 R321 R326 V327M200-L323 HydrophobicContact CE-CD2 4.12Å; F204-L323 HydrophobicContact CE2-CD2 4.42Å; F204-L323 HydrophobicContact CZ-CD2 4.44Å; Y293-L323 HydrophobicContact CD1-CG 4.38Å; Y293-L323 HydrophobicContact CD2-CD2 3.96Å; Y293-L323 HydrophobicContact CE1-CD2 4.1Å; Y293-L323 HydrophobicContact CE1-CG 3.82Å; Y293-L323 HydrophobicContact CE2-CD2 3.38Å; Y293-L323 HydrophobicContact CE2-CG 4.06Å; Y293-L323 VanDerWaalsContact CZ-CD2 3.45Å; L298-L323 HydrophobicContact CD1-CD1 3.62Å; F301-L323 HydrophobicContact CE2-CD1 3.37Å; F301-L323 HydrophobicContact CZ-CD1 3.69Å; W305-L323 HydrophobicContact CD2-CD1 4.46Å; W305-L323 HydrophobicContact CG-CD1 4.39Å; D319-L323 WeakPolarHBondContact O-CB 3.19Å; D319-L323 PolarHBondContact O-N 3.14Å; D320-L323 WeakPolarHBondContact O-CB 3.45Å; D320-L323 PolarHBondContact O-N 2.89Å; R321-L323 VanDerWaalsContact C-N 3.34Å; L323-R326 PolarHBondContact O-N 3.46Å; L323-V327 PolarHBondContact O-N 3.06Å
324T97.4Very high91.6Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-61.2-45.2174.4-51.60000111.8V283 I286 D320 R321 H322 R326 V327 L328 T334V283-T324 WeakPolarHBondContact O-CG2 3.48Å; I286-T324 HydrophobicContact CD1-CG2 4.31Å; I286-T324 HydrophobicContact CG1-CG2 4.16Å; I286-T324 PolarHBondContact N-OG1 3.35Å; D320-T324 WeakPolarHBondContact O-CB 3.42Å; D320-T324 PolarHBondContact O-N 2.75Å; D320-T324 PolarHBondContact O-OG1 3.2Å; R321-T324 PolarHBondContact O-N 3.32Å; H322-T324 VanDerWaalsContact C-N 3.33Å; H322-T324 PolarHBondContact O-N 3.08Å; T324-R326 VanDerWaalsContact C-N 3.27Å; T324-R326 PolarHBondContact O-N 3.46Å; T324-V327 WeakPolarHBondContact O-CB 3.5Å; T324-V327 PolarHBondContact O-N 3.31Å; T324-L328 HydrophobicContact CG2-CD1 4.31Å; T324-L328 PolarHBondContact O-N 3.33Å; T324-T334 HydrophobicContact CG2-CG2 3.92Å
325N96.8Very high92.4Very high2 Ų223.5 Ų23.51%0.01112%0.12CC..Hα-helixtrans-60.2-35.5175.9-91.7-13000112.9R321 H322 L328 S329 E367 Y370 N371R321-N325 WeakPolarHBondContact O-CB 3.25Å; R321-N325 PolarHBondContact O-N 3.5Å; H322-N325 WeakPolarHBondContact O-CB 3.26Å; H322-N325 PolarHBondContact O-N 3.09Å; N325-L328 PolarHBondContact O-N 2.99Å; N325-S329 WeakPolarHBondContact O-CB 3.11Å; N325-S329 PolarHBondContact O-N 3.47Å; N325-E367 VanDerWaalsContact ND2-CB 3.33Å; N325-E367 WeakPolarHBondContact ND2-CB 3.18Å; N325-E367 PolarHBondContact ND2-O 3.07Å; N325-E367 PolarHBondContact ND2-OE2 3.14Å; N325-Y370 HydrophobicContact CB-CD1 3.87Å; N325-Y370 HydrophobicContact CB-CE1 4.11Å; N325-N371 WeakPolarHBondContact OD1-CB 3.28Å; N325-N371 PolarHBondContact OD1-ND2 3.34Å
326R97.1Very high93.3Very high28 Ų2823.3 Ų23.311%0.10612%0.119CC..Hα-helixtrans-66.3-43175.6-67-65-63.4164-0.1110.8F301 W305 H322 L323 T324 L328 S329 F330 Y370F301-R326 HydrophobicContact CB-CB 4.39Å; F301-R326 HydrophobicContact CD1-CB 3.99Å; F301-R326 HydrophobicContact CD2-CB 3.67Å; F301-R326 HydrophobicContact CD2-CG 4.2Å; F301-R326 HydrophobicContact CE1-CB 4.11Å; F301-R326 HydrophobicContact CE2-CB 3.86Å; F301-R326 HydrophobicContact CG-CB 3.78Å; F301-R326 HydrophobicContact CZ-CB 4.07Å; W305-R326 HydrophobicContact CB-CG 4.09Å; H322-R326 VanDerWaalsContact O-CG 3.32Å; H322-R326 WeakPolarHBondContact O-CG 3.17Å; H322-R326 PolarHBondContact O-N 3.03Å; L323-R326 PolarHBondContact O-N 3.46Å; T324-R326 VanDerWaalsContact C-N 3.27Å; T324-R326 PolarHBondContact O-N 3.46Å; R326-L328 PolarHBondContact O-N 3.36Å; R326-S329 WeakPolarHBondContact CA-OG 3.39Å; R326-S329 PolarHBondContact O-N 3.33Å; R326-S329 PolarHBondContact O-OG 3.38Å; R326-F330 VanDerWaalsContact O-CD2 3.3Å; R326-F330 WeakPolarHBondContact O-CD2 3.49Å; R326-F330 PolarHBondContact O-N 3Å; R326-Y370 PolarHBondContact NH1-OH 2.86Å
327V98Very high94.6Very high0 Ų020.4 Ų20.40%010%0.098CC..Hα-helixtrans-55.8-51.1171.9178.20000111.2Y293 L297 F301 L323 T324 S329 F330 Y332 T334Y293-V327 HydrophobicContact CD1-CG2 3.81Å; Y293-V327 HydrophobicContact CE1-CG2 4.05Å; L297-V327 HydrophobicContact CD2-CB 4.47Å; L297-V327 HydrophobicContact CD2-CG1 4Å; L297-V327 HydrophobicContact CD2-CG2 4.32Å; F301-V327 HydrophobicContact CE1-CG2 3.87Å; F301-V327 HydrophobicContact CZ-CG2 4Å; L323-V327 PolarHBondContact O-N 3.06Å; T324-V327 WeakPolarHBondContact O-CB 3.5Å; T324-V327 PolarHBondContact O-N 3.31Å; V327-S329 VanDerWaalsContact C-N 3.33Å; V327-S329 PolarHBondContact O-N 2.92Å; V327-F330 PolarHBondContact O-N 2.79Å; V327-Y332 PolarHBondContact O-N 3.49Å; V327-T334 HydrophobicContact CB-CG2 3.97Å; V327-T334 HydrophobicContact CG1-CG2 3.61Å
328L97.6Very high95.5Very high0 Ų020.5 Ų20.50%010%0.102CC..Hα-helixtrans-61.4-38.5178.3-69168.7000112.1T324 N325 R326 F330 G331 T334 H378 M382T324-L328 HydrophobicContact CG2-CD1 4.31Å; T324-L328 PolarHBondContact O-N 3.33Å; N325-L328 PolarHBondContact O-N 2.99Å; R326-L328 PolarHBondContact O-N 3.36Å; L328-F330 PolarHBondContact O-N 2.97Å; L328-G331 PolarHBondContact O-N 2.88Å; L328-T334 HydrophobicContact CD2-CG2 4.1Å; L328-T334 HydrophobicContact CG-CG2 4.06Å; L328-H378 VanDerWaalsContact CD2-CE1 3.42Å; L328-H378 WeakPolarHBondContact CD2-CE1 3.43Å; L328-H378 PolarHBondContact O-CE1 3.33Å; L328-H378 PolarHBondContact O-NE2 2.86Å; L328-M382 HydrophobicContact CD1-CE 3.92Å
329S96.3Very high96.3Very high6 Ų624.2 Ų24.24%0.04211%0.112CC..Hα-helixtrans-62.4-25.6179.574.70000113.1N325 R326 V327 G331 K377N325-S329 WeakPolarHBondContact O-CB 3.11Å; N325-S329 PolarHBondContact O-N 3.47Å; R326-S329 WeakPolarHBondContact CA-OG 3.39Å; R326-S329 PolarHBondContact O-N 3.33Å; R326-S329 PolarHBondContact O-OG 3.38Å; V327-S329 VanDerWaalsContact C-N 3.33Å; V327-S329 PolarHBondContact O-N 2.92Å; S329-G331 VanDerWaalsContact C-N 3.29Å; S329-K377 WeakPolarHBondContact O-CD 3.28Å; S329-K377 PolarHBondContact O-NZ 3.49Å
330F96.1Very high96.6Very high83 Ų8323.9 Ų23.936%0.36411%0.11SC..THydrogen-bonded Turntrans-84.20174.1-81.4-108000113.2L297 R300 F301 R326 V327 L328 Y332L297-F330 HydrophobicContact CD1-CB 4.09Å; L297-F330 HydrophobicContact CD1-CD1 4Å; L297-F330 HydrophobicContact CD1-CG 4.03Å; R300-F330 HydrophobicContact CB-CE1 4.48Å; F301-F330 HydrophobicContact CB-CD2 4.48Å; F301-F330 HydrophobicContact CB-CE2 3.61Å; F301-F330 HydrophobicContact CB-CZ 3.96Å; F301-F330 HydrophobicContact CD1-CD2 4.32Å; F301-F330 HydrophobicContact CD1-CE2 4.23Å; F301-F330 HydrophobicContact CG-CE2 4.38Å; R326-F330 VanDerWaalsContact O-CD2 3.3Å; R326-F330 WeakPolarHBondContact O-CD2 3.49Å; R326-F330 PolarHBondContact O-N 3Å; V327-F330 PolarHBondContact O-N 2.79Å; L328-F330 PolarHBondContact O-N 2.97Å; F330-Y332 VanDerWaalsContact C-N 3.32Å; F330-Y332 HydrophobicContact CB-CD2 3.84Å; F330-Y332 HydrophobicContact CB-CE2 4.3Å
331G96.1Very high96.8Very high21 Ų2124.8 Ų24.822%0.21611%0.113CC..THydrogen-bonded Turntrans80.49.6-178.700000114.3L328 S329L328-G331 PolarHBondContact O-N 2.88Å; S329-G331 VanDerWaalsContact C-N 3.29Å
332Y98.3Very high96.9Very high53 Ų5322.9 Ų22.921%0.20811%0.107CC..  trans-79.2146.5172.3-77.3-100.7000110.5M240 L297 V327 F330 H378M240-Y332 CarbonylContact O-C 3.56Å; M240-Y332 WeakPolarHBondContact O-CA 3.04Å; M240-Y332 WeakPolarHBondContact O-CD1 3.22Å; L297-Y332 HydrophobicContact CD1-CD2 3.89Å; L297-Y332 HydrophobicContact CD1-CE2 3.64Å; L297-Y332 HydrophobicContact CD2-CD1 4.01Å; L297-Y332 HydrophobicContact CD2-CD2 3.64Å; L297-Y332 HydrophobicContact CD2-CE1 4.37Å; L297-Y332 HydrophobicContact CD2-CE2 4.03Å; L297-Y332 HydrophobicContact CD2-CG 3.62Å; L297-Y332 HydrophobicContact CG-CD2 4.42Å; L297-Y332 HydrophobicContact CG-CE2 4.43Å; V327-Y332 PolarHBondContact O-N 3.49Å; F330-Y332 VanDerWaalsContact C-N 3.32Å; F330-Y332 HydrophobicContact CB-CD2 3.84Å; F330-Y332 HydrophobicContact CB-CE2 4.3Å; Y332-H378 PolarHBondContact O-CE1 3.4Å
333K98.5Very high97Very high81 Ų8124.2 Ų24.235%0.35211%0.113SC..EExtended strand (participates in β ladder)trans-74152172.5-59.5176.2-166.8162.60110.5D238 M240 V241 G242 G281D238-K333 IonicContact OD2-NZ 3.96Å; D238-K333 PolarHBondContact OD2-NZ 2.86Å; M240-K333 HydrophobicContact CB-CD 4.45Å; M240-K333 PolarHBondContact O-N 3.45Å; V241-K333 WeakPolarHBondContact CA-O 3.49Å; V241-K333 HydrophobicContact CG2-CB 4.12Å; G242-K333 PolarHBondContact N-O 3.45Å; G281-K333 VanDerWaalsContact O-CA 3.26Å; G281-K333 WeakPolarHBondContact O-CA 3.42Å; G281-K333 WeakPolarHBondContact O-CB 3.47Å
334T98.6Very high97Very high0 Ų024.5 Ų24.50%011%0.114CC..EExtended strand (participates in β ladder)trans-123.4133.6170.350.90000109.4G243 G281 C282 V283 I286 T324 V327 L328G243-T334 WeakPolarHBondContact O-CA 3.34Å; G281-T334 CarbonylContact C-O 3.54Å; G281-T334 PolarHBondContact O-N 2.68Å; C282-T334 PolarHBondContact N-O 2.69Å; V283-T334 WeakPolarHBondContact CA-OG1 3.47Å; V283-T334 PolarHBondContact N-O 2.43Å; V283-T334 PolarHBondContact N-OG1 2.91Å; V283-T334 WeakPolarHBondContact O-CB 3.32Å; V283-T334 PolarHBondContact O-OG1 3.35Å; I286-T334 HydrophobicContact CD1-CG2 4.16Å; T324-T334 HydrophobicContact CG2-CG2 3.92Å; V327-T334 HydrophobicContact CB-CG2 3.97Å; V327-T334 HydrophobicContact CG1-CG2 3.61Å; L328-T334 HydrophobicContact CD2-CG2 4.1Å; L328-T334 HydrophobicContact CG-CG2 4.06Å
335K98.3Very high96.8Very high34 Ų3425.8 Ų25.815%0.14812%0.121CC..EExtended strand (participates in β ladder)trans-120.8165.4-171.4-76.6-71.2-164.61680112.2E66 V234 V241 G243 V244 G245 S278E66-K335 IonicContact OE1-NZ 2.73Å; E66-K335 PolarHBondContact OE1-NZ 2.63Å; E66-K335 VanDerWaalsContact OE1-NZ 3.14Å; V234-K335 HydrophobicContact CG1-CB 3.82Å; V234-K335 HydrophobicContact CG1-CG 4.2Å; V241-K335 HydrophobicContact CG1-CB 4.02Å; V241-K335 HydrophobicContact CG1-CG 3.86Å; V241-K335 HydrophobicContact CG2-CG 3.73Å; G243-K335 PolarHBondContact O-N 2.79Å; V244-K335 CarbonylContact C-O 3.5Å; V244-K335 VanDerWaalsContact CA-O 3.28Å; V244-K335 WeakPolarHBondContact CA-O 3.21Å; V244-K335 HydrophobicContact CB-CB 4.46Å; V244-K335 HydrophobicContact CG2-CB 4.2Å; G245-K335 PolarHBondContact N-O 3.31Å; S278-K335 VanDerWaalsContact O-CD 3.3Å; S278-K335 WeakPolarHBondContact O-CD 3.45Å; S278-K335 WeakPolarHBondContact O-CE 3.47Å; S278-K335 PolarHBondContact O-NZ 2.92Å; S278-K335 WeakPolarHBondContact OG-CD 3.42Å
336Y98.3Very high96.6Very high6 Ų625.7 Ų25.72%0.02412%0.12CC..EExtended strand (participates in β ladder)trans-128.9147.3169.4157.8-97.5000108.8M70 G245 G246 D247 F270 N271 R274 A275 S278 A338M70-Y336 HydrophobicContact CE-CD1 3.58Å; M70-Y336 HydrophobicContact CE-CE1 3.92Å; M70-Y336 WeakPolarHBondContact CE-O 3.49Å; M70-Y336 HydrophobicContact SD-CE1 4.49Å; G245-Y336 CarbonylContact O-C 3.59Å; G245-Y336 VanDerWaalsContact O-CA 3.31Å; G245-Y336 WeakPolarHBondContact O-CA 3.38Å; G246-Y336 WeakPolarHBondContact O-CE2 3.47Å; D247-Y336 HydrophobicContact CB-CE2 4.14Å; D247-Y336 PolarHBondContact OD1-OH 3.34Å; D247-Y336 VanDerWaalsContact OD1-OH 3.1Å; F270-Y336 HydrophobicContact CB-CE2 3.88Å; F270-Y336 HydrophobicContact CD1-CD2 4.16Å; F270-Y336 AromaticContact CD1-CE2 3.79Å; F270-Y336 HydrophobicContact CD1-CE2 3.79Å; F270-Y336 HydrophobicContact CG-CE2 4.31Å; F270-Y336 WeakPolarHBondContact O-CE1 3.38Å; N271-Y336 PolarHBondContact OD1-OH 2.68Å; R274-Y336 HydrophobicContact CB-CD1 4.45Å; R274-Y336 HydrophobicContact CB-CD2 4.37Å; R274-Y336 HydrophobicContact CB-CG 4.11Å; A275-Y336 HydrophobicContact CB-CD1 4.15Å; A275-Y336 HydrophobicContact CB-CE1 4.08Å; S278-Y336 PolarHBondContact OG-N 3.3Å; S278-Y336 PolarHBondContact OG-O 3.46Å; Y336-A338 HydrophobicContact CE1-CB 4.15Å
337T96.9Very high96.3Very high5 Ų524.8 Ų24.83%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-135125.2171.8-179.30000111.2M231 V234 V244 G245 R339M231-T337 HydrophobicContact CG-CG2 4.24Å; V234-T337 HydrophobicContact CG2-CG2 4.1Å; V244-T337 HydrophobicContact CG2-CG2 4.03Å; G245-T337 PolarHBondContact O-N 3.28Å; T337-R339 PolarHBondContact O-N 3.37Å; T337-R339 PolarHBondContact OG1-N 3.17Å
338A95.5Very high95.9Very high16 Ų1627.2 Ų27.213%0.13213%0.133CC..EExtended strand (participates in β ladder)trans-72.6-9.9176.200000113.3M70 Y336 Q341M70-A338 HydrophobicContact SD-CB 3.82Å; M70-A338 PolarHBondContact SD-N 3.45Å; Y336-A338 HydrophobicContact CE1-CB 4.15Å; A338-Q341 PolarHBondContact O-NE2 2.95Å
339R94.7Very high95.6Very high89 Ų8932.2 Ų32.234%0.33616%0.156SC..EExtended strand (participates in β ladder)trans-80.9-20.3179.1-63.8179.8551580.8113.4M70 E230 T337M70-R339 VanDerWaalsContact O-CD 3.26Å; M70-R339 WeakPolarHBondContact O-CD 3.34Å; E230-R339 HydrophobicContact CB-CB 4.17Å; E230-R339 HydrophobicContact CG-CB 4.06Å; E230-R339 IonicContact OE1-CZ 3.35Å; E230-R339 IonicContact OE1-NE 2.98Å; E230-R339 IonicContact OE1-NH2 3.75Å; E230-R339 PolarHBondContact OE1-NH2 3.48Å; E230-R339 WeakPolarHBondContact OE2-CB 3.33Å; E230-R339 IonicContact OE2-CZ 2.85Å; E230-R339 IonicContact OE2-NE 3.2Å; E230-R339 PolarHBondContact OE2-NE 2.91Å; E230-R339 IonicContact OE2-NH2 3.16Å; E230-R339 PolarHBondContact OE2-NH2 2.91Å; T337-R339 PolarHBondContact O-N 3.37Å; T337-R339 PolarHBondContact OG1-N 3.17Å
340S95.8Very high95.3Very high0 Ų035.5 Ų35.50%017%0.168CC..EExtended strand (participates in β ladder)trans-98.5118.7172.6-179.80000108.2C227 M231 G246 D247 L290C227-S340 VanDerWaalsContact CA-OG 3.28Å; C227-S340 WeakPolarHBondContact CA-OG 3.25Å; C227-S340 WeakPolarHBondContact CB-OG 3.48Å; C227-S340 PolarHBondContact O-OG 2.96Å; M231-S340 WeakPolarHBondContact CG-OG 3.26Å; G246-S340 CarbonylContact C-O 3.58Å; G246-S340 VanDerWaalsContact CA-O 3.27Å; G246-S340 WeakPolarHBondContact CA-O 3.42Å; D247-S340 PolarHBondContact N-O 3.04Å; L290-S340 WeakPolarHBondContact CD2-OG 3.26Å
341Q96.8Very high95Very high52 Ų5233.4 Ų33.424%0.24316%0.16CC..EExtended strand (participates in β ladder)trans-123.9150.3-171-58.4-175-26.700112.1D224 D247 L290 A338 Y555D224-Q341 HydrophobicContact CB-CB 4.12Å; D224-Q341 WeakPolarHBondContact CB-O 3.4Å; D224-Q341 PolarHBondContact N-O 3.38Å; D224-Q341 VanDerWaalsContact N-O 3.08Å; D247-Q341 HydrophobicContact CB-CG 4.27Å; D247-Q341 WeakPolarHBondContact O-CA 3.38Å; L290-Q341 VanDerWaalsContact CD2-C 3.47Å; A338-Q341 PolarHBondContact O-NE2 2.95Å; Q341-Y555 PolarHBondContact OE1-OH 3.31Å
342C96.9Very high94.6Very high3 Ų335.7 Ų35.72%0.0216%0.163CC..EExtended strand (participates in β ladder)trans-149.5168165.371.20000111.9T221 V222 L223 D247 Q249 L290T221-C342 HydrophobicContact CG2-CB 3.56Å; T221-C342 VanDerWaalsContact CG2-SG 3.58Å; V222-C342 CarbonylContact O-C 3.57Å; V222-C342 VanDerWaalsContact O-CA 3.24Å; V222-C342 WeakPolarHBondContact O-CA 3.36Å; V222-C342 VanDerWaalsContact O-CB 3.29Å; V222-C342 WeakPolarHBondContact O-CB 3.43Å; L223-C342 HydrophobicContact CD2-CB 3.7Å; D247-C342 PolarHBondContact O-N 3.17Å; Q249-C342 WeakPolarHBondContact CB-O 3.24Å; Q249-C342 PolarHBondContact N-O 3.05Å; L290-C342 HydrophobicContact CB-CB 4.33Å; L290-C342 VanDerWaalsContact CB-SG 3.54Å; L290-C342 HydrophobicContact CD2-CB 3.84Å
343Q97.1Very high94.2Very high30 Ų3033.2 Ų33.214%0.1415%0.153CC..EExtended strand (participates in β ladder)trans-127119.8175.7-66.9178.91.700110.1T221 V222 Q249 L251T221-Q343 CarbonylContact C-O 3.54Å; T221-Q343 WeakPolarHBondContact CA-O 3.43Å; V222-Q343 PolarHBondContact N-O 3.43Å; V222-Q343 PolarHBondContact O-N 3.28Å; Q249-Q343 HydrophobicContact CB-CG 4.02Å; Q249-Q343 CarbonylContact O-C 3.59Å; Q249-Q343 VanDerWaalsContact O-CA 3.29Å; Q249-Q343 WeakPolarHBondContact O-CA 3.39Å; L251-Q343 HydrophobicContact CB-CB 3.97Å; L251-Q343 HydrophobicContact CD1-CB 4.15Å
344T95.4Very high93.9Very high5 Ų529.4 Ų29.43%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-112.5154.9179.8-174.10000111D220 T221 V248 Q249 I250 L251 Y266 P289D220-T344 PolarHBondContact OD1-OG1 3.41Å; D220-T344 VanDerWaalsContact OD1-OG1 3.1Å; D220-T344 PolarHBondContact OD2-OG1 3.21Å; T221-T344 WeakPolarHBondContact OG1-CB 3.32Å; T221-T344 PolarHBondContact OG1-OG1 3.23Å; V248-T344 HydrophobicContact CG1-CG2 3.44Å; V248-T344 VanDerWaalsContact CG1-CG2 3.44Å; Q249-T344 PolarHBondContact O-N 3.43Å; I250-T344 WeakPolarHBondContact CA-O 3.44Å; I250-T344 HydrophobicContact CD1-CG2 4.24Å; L251-T344 WeakPolarHBondContact CB-O 3.23Å; L251-T344 PolarHBondContact N-O 2.91Å; Y266-T344 HydrophobicContact CE1-CG2 4.24Å; P289-T344 HydrophobicContact CG-CG2 4.28Å
345E93.4Very high93.5Very high28 Ų2830.9 Ų30.913%0.13114%0.144CC..  trans-73.9145.6173.8-170.4-80.9163.700110.8Y96 D220 N252 R474Y96-E345 HydrophobicContact CD1-CB 4.35Å; Y96-E345 HydrophobicContact CE1-CB 4.05Å; Y96-E345 HydrophobicContact CE1-CG 3.99Å; Y96-E345 HydrophobicContact CE2-CG 3.96Å; D220-E345 HydrophobicContact CB-CB 4.28Å; N252-E345 PolarHBondContact ND2-OE1 2.82Å; N252-E345 WeakPolarHBondContact OD1-CA 3.12Å; E345-R474 VanDerWaalsContact CD-NH1 3.32Å; E345-R474 IonicContact OE2-CZ 3.34Å; E345-R474 IonicContact OE2-NH1 3.45Å; E345-R474 PolarHBondContact OE2-NH1 2.93Å; E345-R474 IonicContact OE2-NH2 2.61Å
346T92.3Very high93.1Very high0 Ų030.3 Ų30.30%014%0.142CC..  trans-127.3146.9171.1-172.50000110.6I250 N252 S259 T348I250-T346 HydrophobicContact CD1-CG2 4.11Å; I250-T346 HydrophobicContact CG1-CG2 4.29Å; I250-T346 HydrophobicContact CG2-CG2 3.43Å; I250-T346 VanDerWaalsContact CG2-CG2 3.43Å; N252-T346 PolarHBondContact ND2-O 2.88Å; N252-T346 PolarHBondContact OD1-N 2.74Å; N252-T346 PolarHBondContact OD1-O 3.05Å; S259-T346 VanDerWaalsContact CB-CG2 3.45Å; T346-T348 PolarHBondContact O-N 3.08Å
347P90.8Very high92.8Very high9 Ų931 Ų316%0.05815%0.146CC..  trans-53.5133.2177.4-26.633.7000112.7I258 R352 W353I258-P347 WeakPolarHBondContact CG2-O 3.43Å; P347-R352 HydrophobicContact CB-CB 3.95Å; P347-W353 HydrophobicContact CB-CB 4.22Å
348T90.4Very high92.5Very high51 Ų5131.3 Ų31.331%0.31315%0.147SC..  trans-88-23.9178.356.50000113N252 D255 S256 T346N252-T348 WeakPolarHBondContact ND2-CG2 3.36Å; D255-T348 HydrophobicContact CB-CG2 3.55Å; S256-T348 WeakPolarHBondContact CB-O 3.18Å; S256-T348 WeakPolarHBondContact OG-CA 3.42Å; S256-T348 PolarHBondContact OG-O 3.41Å; T346-T348 PolarHBondContact O-N 3.08Å
349Q90.4Very high92.2Very high105 Ų10533.1 Ų33.149%0.49115%0.15SC..SBendtrans-92.2132.5-179.9-65.5176.7-24.900111.3L351 R352 W353Q349-L351 PolarHBondContact O-N 3.15Å; Q349-R352 HydrophobicContact CB-CB 4.34Å; Q349-R352 HydrophobicContact CB-CG 4.31Å; Q349-R352 PolarHBondContact O-N 2.88Å; Q349-R352 VanDerWaalsContact OE1-CD 3.32Å; Q349-W353 PolarHBondContact O-N 3.43Å
350Y90.7Very high92Very high75 Ų7532.3 Ų32.329%0.29415%0.148SC..Hα-helixtrans-53.1-47.2-177.9173.1-107.6000113.5W257 I258 R352 W353 L354 L448 S452W257-Y350 HydrophobicContact CH2-CD2 4.39Å; I258-Y350 HydrophobicContact CD1-CD2 3.77Å; I258-Y350 HydrophobicContact CD1-CG 4.48Å; Y350-R352 PolarHBondContact O-N 3.44Å; Y350-W353 AromaticContact CD2-CE3 3.99Å; Y350-W353 HydrophobicContact CD2-CE3 3.99Å; Y350-W353 HydrophobicContact CD2-CZ3 4.19Å; Y350-W353 HydrophobicContact CE2-CE3 4.07Å; Y350-W353 AromaticContact CE2-CZ3 3.85Å; Y350-W353 HydrophobicContact CE2-CZ3 3.85Å; Y350-W353 WeakPolarHBondContact O-CB 3.5Å; Y350-W353 PolarHBondContact O-N 2.95Å; Y350-L354 HydrophobicContact CE1-CD2 4.12Å; Y350-L354 WeakPolarHBondContact O-CB 3.45Å; Y350-L354 PolarHBondContact O-N 3.4Å; Y350-L448 HydrophobicContact CE2-CD2 4.34Å; Y350-S452 WeakPolarHBondContact CE2-OG 3.36Å; Y350-S452 WeakPolarHBondContact OH-CB 3.37Å; Y350-S452 PolarHBondContact OH-OG 3.42Å
351L89.3Confident91.9Very high38 Ų3832.9 Ų32.920%0.19915%0.151CC..Hα-helixtrans-66.9-38.2-178-175.762.1000112.4Q349 L354 N355 V479 L481 A484Q349-L351 PolarHBondContact O-N 3.15Å; L351-L354 PolarHBondContact O-N 2.78Å; L351-N355 WeakPolarHBondContact O-CB 3.36Å; L351-N355 PolarHBondContact O-N 3.08Å; L351-N355 PolarHBondContact O-ND2 2.95Å; L351-N355 VanDerWaalsContact O-ND2 3.16Å; L351-V479 HydrophobicContact CD2-CG1 3.92Å; L351-L481 HydrophobicContact CD2-CD2 3.73Å; L351-L481 HydrophobicContact CD2-CG 4.5Å; L351-A484 HydrophobicContact CD1-CB 4.03Å
352R87.4Confident91.6Very high70 Ų7030.4 Ų30.426%0.26414%0.14SC..Hα-helixtrans-66.1-43.4175.1-69.8-17071.6-173.11.5111.1P347 Q349 Y350 N355 Q356P347-R352 HydrophobicContact CB-CB 3.95Å; Q349-R352 HydrophobicContact CB-CB 4.34Å; Q349-R352 HydrophobicContact CB-CG 4.31Å; Q349-R352 PolarHBondContact O-N 2.88Å; Q349-R352 VanDerWaalsContact OE1-CD 3.32Å; Y350-R352 PolarHBondContact O-N 3.44Å; R352-N355 PolarHBondContact O-N 2.98Å; R352-Q356 WeakPolarHBondContact O-CB 3.34Å; R352-Q356 PolarHBondContact O-N 2.69Å
353W91.8Very high91.3Very high1 Ų130.5 Ų30.50%0.00414%0.14CC..Hα-helixtrans-57.5-49.1172.8172.487.5000111I258 S262 P347 Q349 Y350 N355 Q356 Q357 Y445 L448 L453I258-W353 HydrophobicContact CG2-CB 3.66Å; I258-W353 HydrophobicContact CG2-CD2 4.23Å; I258-W353 HydrophobicContact CG2-CG 3.59Å; S262-W353 PolarHBondContact OG-NE1 3.17Å; P347-W353 HydrophobicContact CB-CB 4.22Å; Q349-W353 PolarHBondContact O-N 3.43Å; Y350-W353 AromaticContact CD2-CE3 3.99Å; Y350-W353 HydrophobicContact CD2-CE3 3.99Å; Y350-W353 HydrophobicContact CD2-CZ3 4.19Å; Y350-W353 HydrophobicContact CE2-CE3 4.07Å; Y350-W353 AromaticContact CE2-CZ3 3.85Å; Y350-W353 HydrophobicContact CE2-CZ3 3.85Å; Y350-W353 WeakPolarHBondContact O-CB 3.5Å; Y350-W353 PolarHBondContact O-N 2.95Å; W353-N355 PolarHBondContact O-N 2.88Å; W353-Q356 WeakPolarHBondContact O-CA 3.2Å; W353-Q356 WeakPolarHBondContact O-CB 3.18Å; W353-Q356 PolarHBondContact O-N 3.16Å; W353-Q356 VanDerWaalsContact O-N 3.07Å; W353-Q357 HydrophobicContact CD2-CG 3.95Å; W353-Q357 HydrophobicContact CE3-CG 4.45Å; W353-Q357 HydrophobicContact CG-CG 4.37Å; W353-Q357 HydrophobicContact CH2-CG 4.44Å; W353-Q357 HydrophobicContact CZ2-CG 3.93Å; W353-Q357 VanDerWaalsContact O-CG 3.29Å; W353-Q357 WeakPolarHBondContact O-CG 3.48Å; W353-Q357 PolarHBondContact O-N 3.24Å; W353-Y445 HydrophobicContact CZ2-CE2 4.31Å; W353-L448 HydrophobicContact CH2-CB 4.27Å; W353-L448 HydrophobicContact CH2-CD1 4.26Å; W353-L448 HydrophobicContact CH2-CD2 4.3Å; W353-L448 HydrophobicContact CZ2-CD1 4.38Å; W353-L448 HydrophobicContact CZ3-CD2 4.41Å; W353-L453 HydrophobicContact CH2-CD1 4.19Å; W353-L453 HydrophobicContact CH2-CD2 3.51Å; W353-L453 HydrophobicContact CH2-CG 3.8Å; W353-L453 HydrophobicContact CZ2-CD1 4.26Å; W353-L453 HydrophobicContact CZ2-CD2 3.86Å; W353-L453 HydrophobicContact CZ2-CG 4.3Å; W353-L453 HydrophobicContact CZ3-CD2 4.17Å
354L91.6Very high91.2Very high0 Ų031.2 Ų31.20%014%0.142CC..Hα-helixtrans-62-41.5-179.2-174.458.1000112.9Y350 L351 Q356 Q357 T358 A456 G483 V487Y350-L354 HydrophobicContact CE1-CD2 4.12Å; Y350-L354 WeakPolarHBondContact O-CB 3.45Å; Y350-L354 PolarHBondContact O-N 3.4Å; L351-L354 PolarHBondContact O-N 2.78Å; L354-Q356 VanDerWaalsContact C-N 3.33Å; L354-Q356 PolarHBondContact O-N 2.96Å; L354-Q357 PolarHBondContact O-N 3.08Å; L354-T358 WeakPolarHBondContact O-CB 3.42Å; L354-T358 PolarHBondContact O-N 3.35Å; L354-T358 PolarHBondContact O-OG1 3.31Å; L354-A456 HydrophobicContact CD1-CB 3.9Å; L354-G483 WeakPolarHBondContact CD2-O 3.41Å; L354-V487 HydrophobicContact CD1-CG2 4.29Å; L354-V487 HydrophobicContact CD2-CG2 3.64Å
355N88.9Confident91.1Very high31 Ų3131.3 Ų31.317%0.16614%0.142CC..Hα-helixtrans-61.6-42173.2-75.7-35000111.6L351 R352 W353 T358 R359 N480 G483L351-N355 WeakPolarHBondContact O-CB 3.36Å; L351-N355 PolarHBondContact O-N 3.08Å; L351-N355 PolarHBondContact O-ND2 2.95Å; L351-N355 VanDerWaalsContact O-ND2 3.16Å; R352-N355 PolarHBondContact O-N 2.98Å; W353-N355 PolarHBondContact O-N 2.88Å; N355-T358 PolarHBondContact O-N 3.1Å; N355-R359 PolarHBondContact O-N 3.3Å; N355-N480 PolarHBondContact ND2-O 3.47Å; N355-G483 WeakPolarHBondContact OD1-CA 3.34Å; N355-G483 PolarHBondContact OD1-N 3.05Å
356Q89.9Confident91.1Very high23 Ų2330.4 Ų30.411%0.10714%0.138CC..Hα-helixtrans-62.1-46.2175.1-173.3-172.267.300111.4R352 W353 L354 T358 R359 W360R352-Q356 WeakPolarHBondContact O-CB 3.34Å; R352-Q356 PolarHBondContact O-N 2.69Å; W353-Q356 WeakPolarHBondContact O-CA 3.2Å; W353-Q356 WeakPolarHBondContact O-CB 3.18Å; W353-Q356 PolarHBondContact O-N 3.16Å; W353-Q356 VanDerWaalsContact O-N 3.07Å; L354-Q356 VanDerWaalsContact C-N 3.33Å; L354-Q356 PolarHBondContact O-N 2.96Å; Q356-T358 VanDerWaalsContact C-N 3.34Å; Q356-T358 PolarHBondContact O-N 3.21Å; Q356-R359 WeakPolarHBondContact O-CB 3.26Å; Q356-R359 PolarHBondContact O-N 3.19Å; Q356-W360 HydrophobicContact CG-CD2 4.34Å; Q356-W360 HydrophobicContact CG-CH2 4.29Å; Q356-W360 HydrophobicContact CG-CZ2 3.61Å; Q356-W360 PolarHBondContact O-N 2.96Å
357Q92.1Very high91.1Very high21 Ų2130.5 Ų30.510%0.09814%0.138CC..Hα-helixtrans-64.5-37.6178.4-63.8-58.3-46.800112.6W353 L354 W360 S361 L453W353-Q357 HydrophobicContact CD2-CG 3.95Å; W353-Q357 HydrophobicContact CE3-CG 4.45Å; W353-Q357 HydrophobicContact CG-CG 4.37Å; W353-Q357 HydrophobicContact CH2-CG 4.44Å; W353-Q357 HydrophobicContact CZ2-CG 3.93Å; W353-Q357 VanDerWaalsContact O-CG 3.29Å; W353-Q357 WeakPolarHBondContact O-CG 3.48Å; W353-Q357 PolarHBondContact O-N 3.24Å; L354-Q357 PolarHBondContact O-N 3.08Å; Q357-W360 PolarHBondContact O-N 3Å; Q357-S361 WeakPolarHBondContact O-CB 3.45Å; Q357-S361 PolarHBondContact O-N 2.85Å; Q357-S361 PolarHBondContact O-OG 2.87Å; Q357-L453 HydrophobicContact CB-CD2 3.53Å; Q357-L453 HydrophobicContact CG-CD2 3.6Å
358T91.1Very high91.3Very high10 Ų1032.5 Ų32.56%0.06114%0.144CC..Hα-helixtrans-62.2-46.6174.6-57.20000110.4L354 N355 Q356 W360 S361 K362 F459 A460L354-T358 WeakPolarHBondContact O-CB 3.42Å; L354-T358 PolarHBondContact O-N 3.35Å; L354-T358 PolarHBondContact O-OG1 3.31Å; N355-T358 PolarHBondContact O-N 3.1Å; Q356-T358 VanDerWaalsContact C-N 3.34Å; Q356-T358 PolarHBondContact O-N 3.21Å; T358-W360 PolarHBondContact O-N 3.11Å; T358-S361 WeakPolarHBondContact O-CB 3.35Å; T358-S361 PolarHBondContact O-N 3.46Å; T358-K362 WeakPolarHBondContact O-CG 3.36Å; T358-K362 PolarHBondContact O-N 2.67Å; T358-F459 HydrophobicContact CG2-CD1 4.04Å; T358-A460 HydrophobicContact CG2-CB 4.17Å
359R89.2Confident91.4Very high54 Ų5434 Ų3420%0.20415%0.15CC..Hα-helixtrans-60.5-43.2175.6179.1175.46190.9-5.4112.2F317 N355 Q356 S361 K362 S363F317-R359 HydrophobicContact CB-CG 4.11Å; F317-R359 HydrophobicContact CD1-CG 4.43Å; F317-R359 HydrophobicContact CD2-CG 4.34Å; F317-R359 HydrophobicContact CG-CG 4.04Å; N355-R359 PolarHBondContact O-N 3.3Å; Q356-R359 WeakPolarHBondContact O-CB 3.26Å; Q356-R359 PolarHBondContact O-N 3.19Å; R359-S361 VanDerWaalsContact C-N 3.3Å; R359-S361 PolarHBondContact O-N 3.36Å; R359-K362 PolarHBondContact O-N 3.49Å; R359-S363 PolarHBondContact O-N 2.61Å; R359-S363 VanDerWaalsContact O-N 3.11Å
360W91.8Very high91.5Very high73 Ų7331.5 Ų31.528%0.27714%0.137SC..Hα-helixtrans-63.4-37.8175.9-68-2.7000112.3Y266 Q356 Q357 T358 S363 Y364Y266-W360 HydrophobicContact CE2-CH2 4.22Å; Y266-W360 HydrophobicContact CE2-CZ3 4.33Å; Y266-W360 WeakPolarHBondContact OH-CH2 3.49Å; Q356-W360 HydrophobicContact CG-CD2 4.34Å; Q356-W360 HydrophobicContact CG-CH2 4.29Å; Q356-W360 HydrophobicContact CG-CZ2 3.61Å; Q356-W360 PolarHBondContact O-N 2.96Å; Q357-W360 PolarHBondContact O-N 3Å; T358-W360 PolarHBondContact O-N 3.11Å; W360-S363 PolarHBondContact O-N 3.45Å; W360-Y364 WeakPolarHBondContact O-CB 3.06Å; W360-Y364 PolarHBondContact O-N 3.08Å
361S93Very high91.6Very high11 Ų1128 Ų288%0.07712%0.123CC..Hα-helixtrans-65.8-39176.5-600000111.9Q357 T358 R359 Y364 F365Q357-S361 WeakPolarHBondContact O-CB 3.45Å; Q357-S361 PolarHBondContact O-N 2.85Å; Q357-S361 PolarHBondContact O-OG 2.87Å; T358-S361 WeakPolarHBondContact O-CB 3.35Å; T358-S361 PolarHBondContact O-N 3.46Å; R359-S361 VanDerWaalsContact C-N 3.3Å; R359-S361 PolarHBondContact O-N 3.36Å; S361-Y364 WeakPolarHBondContact O-CB 3.19Å; S361-Y364 PolarHBondContact O-N 3.04Å; S361-F365 WeakPolarHBondContact O-CD2 3.44Å; S361-F365 PolarHBondContact O-N 2.62Å
362K91.1Very high91.8Very high1 Ų128.1 Ų28.10%0.00413%0.13CC..Hα-helixtrans-60-49.6172.9-68.1-173.1179.3-163.30111.8F317 T358 R359 Y364 F365 R366 A460 T463F317-K362 HydrophobicContact CE2-CB 3.6Å; F317-K362 HydrophobicContact CZ-CB 3.95Å; F317-K362 HydrophobicContact CZ-CD 4.03Å; T358-K362 WeakPolarHBondContact O-CG 3.36Å; T358-K362 PolarHBondContact O-N 2.67Å; R359-K362 PolarHBondContact O-N 3.49Å; K362-Y364 VanDerWaalsContact C-N 3.29Å; K362-Y364 PolarHBondContact O-N 3.09Å; K362-F365 PolarHBondContact O-N 3.29Å; K362-R366 PolarHBondContact O-N 3.18Å; K362-A460 HydrophobicContact CG-CB 3.62Å; K362-T463 WeakPolarHBondContact CE-O 3.22Å; K362-T463 WeakPolarHBondContact CE-OG1 3.22Å; K362-T463 PolarHBondContact NZ-O 3.01Å; K362-T463 PolarHBondContact NZ-OG1 3.38Å
363S90.4Very high92.1Very high4 Ų429.8 Ų29.83%0.02814%0.143CC..Hα-helixtrans-59.6-42.6175.4170.50000111.1G318 R321 R359 W360 R366 E367G318-S363 WeakPolarHBondContact CA-OG 3.37Å; R321-S363 PolarHBondContact NH1-OG 3.14Å; R359-S363 PolarHBondContact O-N 2.61Å; R359-S363 VanDerWaalsContact O-N 3.11Å; W360-S363 PolarHBondContact O-N 3.45Å; S363-R366 PolarHBondContact O-N 2.92Å; S363-E367 VanDerWaalsContact O-CB 3.26Å; S363-E367 WeakPolarHBondContact O-CB 3.36Å; S363-E367 VanDerWaalsContact O-CG 3.25Å; S363-E367 WeakPolarHBondContact O-CG 3.45Å; S363-E367 PolarHBondContact O-N 2.78Å
364Y93.9Very high92.2Very high46 Ų4632.5 Ų32.518%0.1815%0.153CC..Hα-helixtrans-57.9-54179.4171.4-96000111.7W360 S361 K362 R366 E367 W368 T389W360-Y364 WeakPolarHBondContact O-CB 3.06Å; W360-Y364 PolarHBondContact O-N 3.08Å; S361-Y364 WeakPolarHBondContact O-CB 3.19Å; S361-Y364 PolarHBondContact O-N 3.04Å; K362-Y364 VanDerWaalsContact C-N 3.29Å; K362-Y364 PolarHBondContact O-N 3.09Å; Y364-R366 VanDerWaalsContact C-N 3.34Å; Y364-R366 PolarHBondContact O-N 2.64Å; Y364-E367 PolarHBondContact O-N 2.99Å; Y364-W368 WeakPolarHBondContact O-CB 3.38Å; Y364-W368 PolarHBondContact O-N 3.08Å; Y364-T389 WeakPolarHBondContact OH-CB 3.24Å; Y364-T389 PolarHBondContact OH-O 3.14Å; Y364-T389 PolarHBondContact OH-OG1 3.43Å
365F94.1Very high92.3Very high6 Ų633.6 Ų33.63%0.02616%0.158CC..Hα-helixtrans-62.4-40.7-178.2-74.2-63.2000112.8S361 K362 W368 L369 K457 L461 I464S361-F365 WeakPolarHBondContact O-CD2 3.44Å; S361-F365 PolarHBondContact O-N 2.62Å; K362-F365 PolarHBondContact O-N 3.29Å; F365-W368 PolarHBondContact O-N 3.37Å; F365-L369 WeakPolarHBondContact O-CG 3.48Å; F365-L369 PolarHBondContact O-N 3.28Å; F365-L369 VanDerWaalsContact O-N 3.12Å; F365-K457 HydrophobicContact CE2-CB 4.2Å; F365-K457 WeakPolarHBondContact CE2-O 3.4Å; F365-K457 HydrophobicContact CZ-CB 4.42Å; F365-L461 HydrophobicContact CB-CD1 4.08Å; F365-L461 HydrophobicContact CD1-CD1 4.07Å; F365-L461 HydrophobicContact CD2-CB 4.08Å; F365-L461 HydrophobicContact CD2-CD1 4.16Å; F365-L461 HydrophobicContact CE2-CB 4.07Å; F365-L461 HydrophobicContact CG-CD1 3.85Å; F365-I464 HydrophobicContact CB-CD1 3.83Å
366R93.1Very high92.6Very high10 Ų1033.4 Ų33.44%0.03816%0.156CC..Hα-helixtrans-62.3-50.4177.4-175.8-172.767.4-140.8-1.8111.4F310 C315 F317 K362 S363 Y364 W368 L369 Y370 I464F310-R366 HydrophobicContact CB-CG 4.1Å; F310-R366 HydrophobicContact CD1-CG 4.11Å; F310-R366 HydrophobicContact CD2-CG 3.54Å; F310-R366 HydrophobicContact CE1-CG 4.42Å; F310-R366 HydrophobicContact CE2-CG 3.89Å; F310-R366 HydrophobicContact CG-CG 3.64Å; F310-R366 HydrophobicContact CZ-CG 4.32Å; C315-R366 VanDerWaalsContact SG-CD 3.51Å; F317-R366 VanDerWaalsContact O-CZ 3.31Å; F317-R366 PolarHBondContact O-NH1 3.13Å; F317-R366 VanDerWaalsContact O-NH1 3.08Å; F317-R366 PolarHBondContact O-NH2 2.96Å; K362-R366 PolarHBondContact O-N 3.18Å; S363-R366 PolarHBondContact O-N 2.92Å; Y364-R366 VanDerWaalsContact C-N 3.34Å; Y364-R366 PolarHBondContact O-N 2.64Å; R366-W368 VanDerWaalsContact C-N 3.29Å; R366-W368 PolarHBondContact O-N 3.2Å; R366-L369 PolarHBondContact O-N 3.45Å; R366-Y370 PolarHBondContact O-N 2.93Å; R366-Y370 VanDerWaalsContact O-N 3.14Å; R366-I464 HydrophobicContact CB-CD1 4.13Å
367E93.2Very high92.8Very high2 Ų236.3 Ų36.31%0.00917%0.168CC..Hα-helixtrans-71.1-27.1-179.1-69.1-43.8134.300112.2Q308 R321 H322 N325 S363 Y364 Y370 N371Q308-E367 PolarHBondContact NE2-OE1 3.33Å; R321-E367 HydrophobicContact CB-CB 4.47Å; R321-E367 HydrophobicContact CB-CG 3.94Å; R321-E367 HydrophobicContact CG-CB 3.64Å; R321-E367 HydrophobicContact CG-CG 3.66Å; H322-E367 WeakPolarHBondContact CA-OE2 2.99Å; H322-E367 IonicContact CG-OE1 2.93Å; H322-E367 IonicContact CG-OE2 3.21Å; H322-E367 IonicContact ND1-OE1 3.47Å; H322-E367 IonicContact ND1-OE2 2.67Å; H322-E367 PolarHBondContact ND1-OE2 2.85Å; N325-E367 VanDerWaalsContact ND2-CB 3.33Å; N325-E367 WeakPolarHBondContact ND2-CB 3.18Å; N325-E367 PolarHBondContact ND2-O 3.07Å; N325-E367 PolarHBondContact ND2-OE2 3.14Å; S363-E367 VanDerWaalsContact O-CB 3.26Å; S363-E367 WeakPolarHBondContact O-CB 3.36Å; S363-E367 VanDerWaalsContact O-CG 3.25Å; S363-E367 WeakPolarHBondContact O-CG 3.45Å; S363-E367 PolarHBondContact O-N 2.78Å; Y364-E367 PolarHBondContact O-N 2.99Å; E367-Y370 PolarHBondContact O-N 2.85Å; E367-N371 WeakPolarHBondContact O-CB 3.42Å; E367-N371 PolarHBondContact O-N 3.34Å
368W93.7Very high93Very high51 Ų5136.8 Ų36.819%0.19317%0.17CC..Hα-helixtrans-63.8-45.8172.3173.281.3000111.1Y364 F365 R366 Y370 N371 A372 S386 F391Y364-W368 WeakPolarHBondContact O-CB 3.38Å; Y364-W368 PolarHBondContact O-N 3.08Å; F365-W368 PolarHBondContact O-N 3.37Å; R366-W368 VanDerWaalsContact C-N 3.29Å; R366-W368 PolarHBondContact O-N 3.2Å; W368-Y370 VanDerWaalsContact C-N 3.33Å; W368-Y370 PolarHBondContact O-N 3.09Å; W368-N371 PolarHBondContact O-N 2.91Å; W368-A372 PolarHBondContact O-N 2.71Å; W368-S386 PolarHBondContact NE1-O 3.27Å; W368-F391 HydrophobicContact CH2-CE2 4.28Å; W368-F391 HydrophobicContact CH2-CZ 4.41Å; W368-F391 HydrophobicContact CZ2-CE2 4.12Å
369L93.3Very high93.2Very high83 Ų8337.9 Ų37.944%0.43518%0.179SC..Hα-helixtrans-60.6-42.5172.9-68.6172.5000111.9F310 F365 R366F310-L369 HydrophobicContact CE2-CD1 4.11Å; F310-L369 HydrophobicContact CZ-CD1 4.03Å; F365-L369 WeakPolarHBondContact O-CG 3.48Å; F365-L369 PolarHBondContact O-N 3.28Å; F365-L369 VanDerWaalsContact O-N 3.12Å; R366-L369 PolarHBondContact O-N 3.45Å
370Y92.3Very high93.6Very high52 Ų5239.3 Ų39.320%0.20419%0.19CC..Hα-helixtrans-65.7-41.7177-173.1-92.9000112.2H322 N325 R326 R366 E367 W368 A372 L373 W374H322-Y370 AromaticContact CE1-CZ 3.99Å; N325-Y370 HydrophobicContact CB-CD1 3.87Å; N325-Y370 HydrophobicContact CB-CE1 4.11Å; R326-Y370 PolarHBondContact NH1-OH 2.86Å; R366-Y370 PolarHBondContact O-N 2.93Å; R366-Y370 VanDerWaalsContact O-N 3.14Å; E367-Y370 PolarHBondContact O-N 2.85Å; W368-Y370 VanDerWaalsContact C-N 3.33Å; W368-Y370 PolarHBondContact O-N 3.09Å; Y370-A372 VanDerWaalsContact C-N 3.31Å; Y370-A372 PolarHBondContact O-N 2.89Å; Y370-L373 HydrophobicContact CD2-CD1 4.44Å; Y370-L373 WeakPolarHBondContact O-CB 3.37Å; Y370-L373 WeakPolarHBondContact O-CG 3.31Å; Y370-L373 PolarHBondContact O-N 3.28Å; Y370-W374 AromaticContact CD1-NE1 3.7Å; Y370-W374 AromaticContact CE1-NE1 3.33Å; Y370-W374 VanDerWaalsContact CE1-NE1 3.33Å; Y370-W374 AromaticContact CZ-NE1 3.75Å; Y370-W374 PolarHBondContact O-NE1 2.91Å; Y370-W374 VanDerWaalsContact O-NE1 3.13Å
371N92.8Very high93.8Very high1 Ų136.9 Ų36.91%0.00518%0.181CC..Hα-helixtrans-65.5-35.4-178.6-171.6-95.9000112N325 E367 W368 L373 W374 F375 M382N325-N371 WeakPolarHBondContact OD1-CB 3.28Å; N325-N371 PolarHBondContact OD1-ND2 3.34Å; E367-N371 WeakPolarHBondContact O-CB 3.42Å; E367-N371 PolarHBondContact O-N 3.34Å; W368-N371 PolarHBondContact O-N 2.91Å; N371-L373 PolarHBondContact O-N 3.08Å; N371-L373 VanDerWaalsContact O-N 3.11Å; N371-W374 PolarHBondContact O-N 3.4Å; N371-F375 WeakPolarHBondContact OD1-CE1 3.34Å; N371-M382 WeakPolarHBondContact ND2-CE 3.46Å; N371-M382 WeakPolarHBondContact OD1-CE 3.25Å
372A93.7Very high94Very high41 Ų4136.3 Ų36.334%0.33918%0.177SC..Hα-helixtrans-56.4-27.3177.100000114W368 Y370 W374 F375W368-A372 PolarHBondContact O-N 2.71Å; Y370-A372 VanDerWaalsContact C-N 3.31Å; Y370-A372 PolarHBondContact O-N 2.89Å; A372-W374 PolarHBondContact O-N 2.85Å; A372-W374 VanDerWaalsContact O-N 3.17Å; A372-F375 VanDerWaalsContact CA-CZ 3.49Å; A372-F375 HydrophobicContact CB-CD2 4.31Å; A372-F375 HydrophobicContact CB-CE1 4.47Å; A372-F375 HydrophobicContact CB-CE2 3.72Å; A372-F375 HydrophobicContact CB-CZ 3.8Å
373L93.1Very high94.2Very high104 Ų10436.3 Ų36.355%0.54518%0.177SC..THydrogen-bonded Turntrans-64.6-17.7176.1-57.4175.4000113.2Y370 N371 H376Y370-L373 HydrophobicContact CD2-CD1 4.44Å; Y370-L373 WeakPolarHBondContact O-CB 3.37Å; Y370-L373 WeakPolarHBondContact O-CG 3.31Å; Y370-L373 PolarHBondContact O-N 3.28Å; N371-L373 PolarHBondContact O-N 3.08Å; N371-L373 VanDerWaalsContact O-N 3.11Å; L373-H376 PolarHBondContact O-CE1 3.23Å; L373-H376 VanDerWaalsContact O-CE1 3.23Å; L373-H376 PolarHBondContact O-ND1 3.46Å
374W93.6Very high94.5Very high59 Ų5937.3 Ų37.322%0.22318%0.18CC..THydrogen-bonded Turntrans-1228-169.5-41.1106.6000114Y370 N371 A372 H376 K377 H378Y370-W374 AromaticContact CD1-NE1 3.7Å; Y370-W374 AromaticContact CE1-NE1 3.33Å; Y370-W374 VanDerWaalsContact CE1-NE1 3.33Å; Y370-W374 AromaticContact CZ-NE1 3.75Å; Y370-W374 PolarHBondContact O-NE1 2.91Å; Y370-W374 VanDerWaalsContact O-NE1 3.13Å; N371-W374 PolarHBondContact O-N 3.4Å; A372-W374 PolarHBondContact O-N 2.85Å; A372-W374 VanDerWaalsContact O-N 3.17Å; W374-H376 PolarHBondContact O-N 3.39Å; W374-K377 HydrophobicContact CE3-CD 4.47Å; W374-K377 WeakPolarHBondContact O-CB 3.32Å; W374-K377 PolarHBondContact O-N 3.3Å; W374-H378 PolarHBondContact O-CD2 3.24Å
375F94.8Very high94.6Very high22 Ų2235.3 Ų35.310%0.09617%0.173CC..G310 helixtrans-52-40.3179.3-73.2-19.5000113.5N371 A372 K377 H378 M382 T383 S386N371-F375 WeakPolarHBondContact OD1-CE1 3.34Å; A372-F375 VanDerWaalsContact CA-CZ 3.49Å; A372-F375 HydrophobicContact CB-CD2 4.31Å; A372-F375 HydrophobicContact CB-CE1 4.47Å; A372-F375 HydrophobicContact CB-CE2 3.72Å; A372-F375 HydrophobicContact CB-CZ 3.8Å; F375-K377 PolarHBondContact O-N 3.11Å; F375-H378 PolarHBondContact O-N 2.76Å; F375-M382 HydrophobicContact CD1-CE 4.29Å; F375-M382 HydrophobicContact CD1-CG 4.45Å; F375-T383 WeakPolarHBondContact CB-OG1 3Å; F375-T383 HydrophobicContact CD2-CG2 3.92Å; F375-T383 HydrophobicContact CE2-CG2 4.36Å; F375-T383 HydrophobicContact CG-CG2 4.36Å; F375-S386 VanDerWaalsContact CZ-CB 3.43Å
376H94.5Very high94.7Very high28 Ų2835 Ų3513%0.1317%0.171CC..G310 helixtrans-60.6-13.2178.767.8-86.1000115.5N10 I11 T14 L373 W374N10-H376 HydrophobicContact CB-CB 4.12Å; I11-H376 HydrophobicContact CB-CB 4.35Å; I11-H376 HydrophobicContact CG1-CB 3.69Å; T14-H376 HydrophobicContact CG2-CB 4.43Å; T14-H376 WeakPolarHBondContact OG1-CA 3.37Å; T14-H376 WeakPolarHBondContact OG1-CB 3.32Å; L373-H376 PolarHBondContact O-CE1 3.23Å; L373-H376 VanDerWaalsContact O-CE1 3.23Å; L373-H376 PolarHBondContact O-ND1 3.46Å; W374-H376 PolarHBondContact O-N 3.39Å
377K94.8Very high94.7Very high84 Ų8435 Ų3537%0.36517%0.172SC..G310 helixtrans-91.3-9.8178.1-58.7-169.8178.3-176.50113.1S329 W374 F375S329-K377 WeakPolarHBondContact O-CD 3.28Å; S329-K377 PolarHBondContact O-NZ 3.49Å; W374-K377 HydrophobicContact CE3-CD 4.47Å; W374-K377 WeakPolarHBondContact O-CB 3.32Å; W374-K377 PolarHBondContact O-N 3.3Å; F375-K377 PolarHBondContact O-N 3.11Å
378H95.8Very high94.8Very high30 Ų3035.3 Ų35.314%0.13917%0.174CC..SBendtrans-128.1-179.5-168.6-65.5-65.1000112.2L328 Y332 W374 F375 M382L328-H378 VanDerWaalsContact CD2-CE1 3.42Å; L328-H378 WeakPolarHBondContact CD2-CE1 3.43Å; L328-H378 PolarHBondContact O-CE1 3.33Å; L328-H378 PolarHBondContact O-NE2 2.86Å; Y332-H378 PolarHBondContact O-CE1 3.4Å; W374-H378 PolarHBondContact O-CD2 3.24Å; F375-H378 PolarHBondContact O-N 2.76Å; H378-M382 HydrophobicContact CB-CB 4.36Å; H378-M382 HydrophobicContact CB-SD 3.35Å; H378-M382 WeakPolarHBondContact CB-SD 3.31Å; H378-M382 VanDerWaalsContact CG-SD 3.52Å
379S95.6Very high94.7Very high34 Ų3435 Ų3524%0.23818%0.178CC..  trans-61149.517867.90000112W381 M382S379-W381 PolarHBondContact O-N 2.65Å; S379-W381 VanDerWaalsContact O-N 3.16Å; S379-M382 WeakPolarHBondContact O-CB 3.24Å; S379-M382 PolarHBondContact O-N 3.33Å; S379-M382 PolarHBondContact OG-N 3.22Å
380L96.2Very high94.7Very high83 Ų8331 Ų3144%0.43516%0.157SC..Hα-helixtrans-60-24.8172.8-67.4177.5000112.5T14 F17 M382 T383 Y384T14-L380 HydrophobicContact CG2-CD2 3.94Å; F17-L380 HydrophobicContact CB-CD2 4.42Å; F17-L380 HydrophobicContact CD1-CB 4.4Å; F17-L380 HydrophobicContact CD1-CD2 3.89Å; F17-L380 HydrophobicContact CE1-CB 4Å; F17-L380 HydrophobicContact CE1-CD2 4.35Å; F17-L380 WeakPolarHBondContact CE1-O 3.48Å; F17-L380 HydrophobicContact CG-CD2 4.11Å; F17-L380 HydrophobicContact CZ-CB 4.3Å; L380-M382 VanDerWaalsContact C-N 3.29Å; L380-M382 PolarHBondContact O-N 3.34Å; L380-T383 PolarHBondContact O-N 2.95Å; L380-Y384 WeakPolarHBondContact O-CB 3.39Å; L380-Y384 PolarHBondContact O-N 2.76Å
381W96.7Very high94.7Very high22 Ų2231.7 Ų31.78%0.08316%0.161CC..Hα-helixtrans-58.6-41.6173.8-177.7-94.1000111.9L58 Q59 F62 C276 F280 S379 T383 Y384 E385L58-W381 HydrophobicContact CB-CH2 3.95Å; L58-W381 HydrophobicContact CB-CZ3 4.05Å; L58-W381 HydrophobicContact CD1-CZ3 4.46Å; Q59-W381 HydrophobicContact CB-CH2 4.5Å; Q59-W381 HydrophobicContact CB-CZ2 4.37Å; F62-W381 HydrophobicContact CD2-CH2 4.48Å; F62-W381 HydrophobicContact CD2-CZ3 4.28Å; F62-W381 HydrophobicContact CE2-CZ3 4.35Å; C276-W381 WeakPolarHBondContact SG-CZ2 3.26Å; F280-W381 HydrophobicContact CB-CB 4.13Å; F280-W381 HydrophobicContact CB-CG 4.37Å; F280-W381 HydrophobicContact CD1-CB 3.78Å; F280-W381 HydrophobicContact CD1-CG 4.32Å; F280-W381 HydrophobicContact CD2-CB 3.64Å; F280-W381 AromaticContact CD2-CD1 3.38Å; F280-W381 AromaticContact CD2-CD2 3.72Å; F280-W381 HydrophobicContact CD2-CD2 3.72Å; F280-W381 HydrophobicContact CD2-CE3 4.48Å; F280-W381 AromaticContact CD2-CG 3.25Å; F280-W381 HydrophobicContact CD2-CG 3.25Å; F280-W381 AromaticContact CD2-NE1 3.89Å; F280-W381 HydrophobicContact CE1-CB 4.03Å; F280-W381 HydrophobicContact CE1-CG 4.46Å; F280-W381 HydrophobicContact CE2-CB 3.9Å; F280-W381 AromaticContact CE2-CD1 3.91Å; F280-W381 AromaticContact CE2-CD2 3.38Å; F280-W381 HydrophobicContact CE2-CD2 3.38Å; F280-W381 AromaticContact CE2-CE2 3.9Å; F280-W381 AromaticContact CE2-CE3 3.73Å; F280-W381 HydrophobicContact CE2-CE3 3.73Å; F280-W381 AromaticContact CE2-CG 3.43Å; F280-W381 HydrophobicContact CE2-CG 3.43Å; F280-W381 VanDerWaalsContact CE2-CG 3.43Å; F280-W381 HydrophobicContact CE2-CZ3 4.47Å; F280-W381 HydrophobicContact CG-CB 3.57Å; F280-W381 AromaticContact CG-CD1 3.98Å; F280-W381 AromaticContact CG-CG 3.73Å; F280-W381 HydrophobicContact CG-CG 3.73Å; F280-W381 HydrophobicContact CZ-CB 4.08Å; F280-W381 AromaticContact CZ-CD2 3.99Å; F280-W381 HydrophobicContact CZ-CD2 3.99Å; F280-W381 AromaticContact CZ-CE3 3.93Å; F280-W381 HydrophobicContact CZ-CE3 3.93Å; F280-W381 HydrophobicContact CZ-CG 4.05Å; S379-W381 PolarHBondContact O-N 2.65Å; S379-W381 VanDerWaalsContact O-N 3.16Å; W381-T383 VanDerWaalsContact C-N 3.32Å; W381-T383 PolarHBondContact O-N 2.91Å; W381-Y384 HydrophobicContact CD2-CD1 4.36Å; W381-Y384 AromaticContact CE3-CD1 3.98Å; W381-Y384 HydrophobicContact CE3-CD1 3.98Å; W381-Y384 HydrophobicContact CE3-CE1 4.37Å; W381-Y384 HydrophobicContact CH2-CD1 4.29Å; W381-Y384 AromaticContact CH2-CE1 3.96Å; W381-Y384 HydrophobicContact CH2-CE1 3.96Å; W381-Y384 AromaticContact CZ3-CD1 3.96Å; W381-Y384 HydrophobicContact CZ3-CD1 3.96Å; W381-Y384 AromaticContact CZ3-CE1 3.87Å; W381-Y384 HydrophobicContact CZ3-CE1 3.87Å; W381-Y384 PolarHBondContact O-N 3.41Å; W381-E385 VanDerWaalsContact O-CB 3.27Å; W381-E385 WeakPolarHBondContact O-CB 3.19Å; W381-E385 PolarHBondContact O-N 2.88Å
382M96.6Very high94.6Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-59.8-44.9177.6-175174.816600111.1C282 L328 N371 F375 H378 S379 L380 S386C282-M382 HydrophobicContact CB-CB 3.86Å; C282-M382 HydrophobicContact CB-CG 4.05Å; C282-M382 HydrophobicContact CB-SD 3.78Å; L328-M382 HydrophobicContact CD1-CE 3.92Å; N371-M382 WeakPolarHBondContact ND2-CE 3.46Å; N371-M382 WeakPolarHBondContact OD1-CE 3.25Å; F375-M382 HydrophobicContact CD1-CE 4.29Å; F375-M382 HydrophobicContact CD1-CG 4.45Å; H378-M382 HydrophobicContact CB-CB 4.36Å; H378-M382 HydrophobicContact CB-SD 3.35Å; H378-M382 WeakPolarHBondContact CB-SD 3.31Å; H378-M382 VanDerWaalsContact CG-SD 3.52Å; S379-M382 WeakPolarHBondContact O-CB 3.24Å; S379-M382 PolarHBondContact O-N 3.33Å; S379-M382 PolarHBondContact OG-N 3.22Å; L380-M382 VanDerWaalsContact C-N 3.29Å; L380-M382 PolarHBondContact O-N 3.34Å; M382-S386 WeakPolarHBondContact O-CB 3.29Å; M382-S386 PolarHBondContact O-N 2.86Å; M382-S386 PolarHBondContact O-OG 3.44Å
383T96.8Very high94.5Very high0 Ų032.6 Ų32.60%016%0.158CC..Hα-helixtrans-63.3-50.3176-52.40000111.4F17 A18 F375 L380 W381 S386 V387F17-T383 HydrophobicContact CD1-CG2 3.95Å; F17-T383 HydrophobicContact CE1-CG2 4.46Å; A18-T383 HydrophobicContact CB-CG2 3.62Å; F375-T383 WeakPolarHBondContact CB-OG1 3Å; F375-T383 HydrophobicContact CD2-CG2 3.92Å; F375-T383 HydrophobicContact CE2-CG2 4.36Å; F375-T383 HydrophobicContact CG-CG2 4.36Å; L380-T383 PolarHBondContact O-N 2.95Å; W381-T383 VanDerWaalsContact C-N 3.32Å; W381-T383 PolarHBondContact O-N 2.91Å; T383-S386 PolarHBondContact O-N 2.98Å; T383-V387 WeakPolarHBondContact O-CG2 3.46Å; T383-V387 PolarHBondContact O-N 2.89Å
384Y96.7Very high94.6Very high26 Ų2631.2 Ų31.210%0.10215%0.148CC..Hα-helixtrans-56.6-53.9179.1164.7-100.4000111.9V21 F51 H55 L380 W381 S386 V387 V388V21-Y384 HydrophobicContact CG1-CD2 3.94Å; V21-Y384 HydrophobicContact CG1-CE2 4.41Å; V21-Y384 HydrophobicContact CG2-CD2 4.31Å; F51-Y384 HydrophobicContact CE2-CE2 4.04Å; F51-Y384 AromaticContact CZ-CE2 3.68Å; F51-Y384 HydrophobicContact CZ-CE2 3.68Å; H55-Y384 WeakPolarHBondContact CB-OH 3.36Å; H55-Y384 AromaticContact ND1-CE1 3.38Å; H55-Y384 WeakPolarHBondContact ND1-CE1 3.49Å; H55-Y384 AromaticContact ND1-CZ 3.55Å; H55-Y384 PolarHBondContact ND1-OH 3.12Å; L380-Y384 WeakPolarHBondContact O-CB 3.39Å; L380-Y384 PolarHBondContact O-N 2.76Å; W381-Y384 HydrophobicContact CD2-CD1 4.36Å; W381-Y384 AromaticContact CE3-CD1 3.98Å; W381-Y384 HydrophobicContact CE3-CD1 3.98Å; W381-Y384 HydrophobicContact CE3-CE1 4.37Å; W381-Y384 HydrophobicContact CH2-CD1 4.29Å; W381-Y384 AromaticContact CH2-CE1 3.96Å; W381-Y384 HydrophobicContact CH2-CE1 3.96Å; W381-Y384 AromaticContact CZ3-CD1 3.96Å; W381-Y384 HydrophobicContact CZ3-CD1 3.96Å; W381-Y384 AromaticContact CZ3-CE1 3.87Å; W381-Y384 HydrophobicContact CZ3-CE1 3.87Å; W381-Y384 PolarHBondContact O-N 3.41Å; Y384-S386 VanDerWaalsContact C-N 3.31Å; Y384-S386 PolarHBondContact O-N 3.37Å; Y384-V387 PolarHBondContact O-N 2.87Å; Y384-V388 HydrophobicContact CD2-CG2 4.18Å; Y384-V388 HydrophobicContact CE1-CG2 4.36Å; Y384-V388 HydrophobicContact CE2-CG2 3.76Å; Y384-V388 WeakPolarHBondContact O-CG2 3.45Å; Y384-V388 PolarHBondContact O-N 3.37Å
385E95.6Very high94.4Very high4 Ų429.3 Ų29.32%0.01914%0.141CC..Hα-helixtrans-59.9-44.7-179.6-174.6-166.8-140.500110.3Q277 Q284 W381 V387 V388 T389Q277-E385 WeakPolarHBondContact CG-OE1 3.33Å; Q277-E385 WeakPolarHBondContact CG-OE2 3.06Å; Q277-E385 PolarHBondContact NE2-OE1 3.12Å; Q277-E385 PolarHBondContact NE2-OE2 2.92Å; Q284-E385 PolarHBondContact NE2-OE2 3.27Å; W381-E385 VanDerWaalsContact O-CB 3.27Å; W381-E385 WeakPolarHBondContact O-CB 3.19Å; W381-E385 PolarHBondContact O-N 2.88Å; E385-V387 VanDerWaalsContact C-N 3.32Å; E385-V387 PolarHBondContact O-N 3.34Å; E385-V388 PolarHBondContact O-N 3.46Å; E385-T389 HydrophobicContact CG-CG2 4.01Å; E385-T389 WeakPolarHBondContact O-CB 3.47Å; E385-T389 WeakPolarHBondContact O-CG2 3.4Å; E385-T389 PolarHBondContact O-N 3.03Å; E385-T389 PolarHBondContact O-OG1 3.24Å
386S94.9Very high94.2Very high0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-63.2-36.2-179.6-590000113Q284 W368 F375 M382 T383 Y384 G390Q284-S386 PolarHBondContact NE2-OG 3.49Å; W368-S386 PolarHBondContact NE1-O 3.27Å; F375-S386 VanDerWaalsContact CZ-CB 3.43Å; M382-S386 WeakPolarHBondContact O-CB 3.29Å; M382-S386 PolarHBondContact O-N 2.86Å; M382-S386 PolarHBondContact O-OG 3.44Å; T383-S386 PolarHBondContact O-N 2.98Å; Y384-S386 VanDerWaalsContact C-N 3.31Å; Y384-S386 PolarHBondContact O-N 3.37Å; S386-G390 WeakPolarHBondContact O-CA 3.42Å; S386-G390 PolarHBondContact O-N 2.91Å
387V95.1Very high94.1Very high9 Ų928.9 Ų28.96%0.05514%0.141CC..Hα-helixtrans-67.4-50.3173171.70000109.8A18 V21 L22 I25 T383 Y384 E385 G390 F391A18-V387 HydrophobicContact CB-CG2 4.03Å; V21-V387 HydrophobicContact CB-CG1 4.49Å; V21-V387 HydrophobicContact CG1-CB 4.31Å; V21-V387 HydrophobicContact CG1-CG1 3.9Å; L22-V387 HydrophobicContact CB-CG1 3.92Å; L22-V387 HydrophobicContact CD1-CG1 4.31Å; I25-V387 HydrophobicContact CD1-CG1 4.44Å; T383-V387 WeakPolarHBondContact O-CG2 3.46Å; T383-V387 PolarHBondContact O-N 2.89Å; Y384-V387 PolarHBondContact O-N 2.87Å; E385-V387 VanDerWaalsContact C-N 3.32Å; E385-V387 PolarHBondContact O-N 3.34Å; V387-G390 PolarHBondContact O-N 2.93Å; V387-F391 HydrophobicContact CG1-CD2 4.16Å; V387-F391 WeakPolarHBondContact O-CD2 3.29Å; V387-F391 PolarHBondContact O-N 3.38Å
388V93.4Very high94Very high9 Ų927 Ų276%0.05514%0.142CC..Hα-helixtrans-59.5-54.6-179.6174.20000111.1I25 F51 Y384 E385 G390 F391 F392I25-V388 HydrophobicContact CD1-CG2 3.95Å; F51-V388 HydrophobicContact CE1-CG1 4.49Å; F51-V388 HydrophobicContact CE1-CG2 3.84Å; F51-V388 HydrophobicContact CZ-CG2 3.7Å; Y384-V388 HydrophobicContact CD2-CG2 4.18Å; Y384-V388 HydrophobicContact CE1-CG2 4.36Å; Y384-V388 HydrophobicContact CE2-CG2 3.76Å; Y384-V388 WeakPolarHBondContact O-CG2 3.45Å; Y384-V388 PolarHBondContact O-N 3.37Å; E385-V388 PolarHBondContact O-N 3.46Å; V388-G390 VanDerWaalsContact C-N 3.34Å; V388-G390 PolarHBondContact O-N 3.19Å; V388-F391 PolarHBondContact O-N 3.49Å; V388-F392 WeakPolarHBondContact O-CB 3.37Å; V388-F392 PolarHBondContact O-N 2.84Å
389T92.1Very high93.7Very high43 Ų4327 Ų2726%0.26414%0.144SC..Hα-helixtrans-72.1-28.3-176.362.60000113Y364 E385 P393Y364-T389 WeakPolarHBondContact OH-CB 3.24Å; Y364-T389 PolarHBondContact OH-O 3.14Å; Y364-T389 PolarHBondContact OH-OG1 3.43Å; E385-T389 HydrophobicContact CG-CG2 4.01Å; E385-T389 WeakPolarHBondContact O-CB 3.47Å; E385-T389 WeakPolarHBondContact O-CG2 3.4Å; E385-T389 PolarHBondContact O-N 3.03Å; E385-T389 PolarHBondContact O-OG1 3.24Å; T389-P393 WeakPolarHBondContact O-CD 3.45Å
390G92.7Very high93.5Very high1 Ų125.5 Ų25.51%0.0113%0.133CC..Hα-helixtrans-67-48.217500000112.1S386 V387 V388 F394S386-G390 WeakPolarHBondContact O-CA 3.42Å; S386-G390 PolarHBondContact O-N 2.91Å; V387-G390 PolarHBondContact O-N 2.93Å; V388-G390 VanDerWaalsContact C-N 3.34Å; V388-G390 PolarHBondContact O-N 3.19Å; G390-F394 VanDerWaalsContact O-CE2 3.29Å; G390-F394 WeakPolarHBondContact O-CE2 3.01Å
391F92.9Very high93.3Very high65 Ų6524.2 Ų24.229%0.28513%0.126SC..Hα-helixtrans-92.1-22.5-173.8-72.9-82.7000114.7L22 W368 V387 V388 P393 F394 F395L22-F391 HydrophobicContact CD1-CB 4.27Å; L22-F391 HydrophobicContact CD1-CD1 4.03Å; L22-F391 HydrophobicContact CD1-CD2 3.68Å; L22-F391 HydrophobicContact CD1-CE1 4.28Å; L22-F391 HydrophobicContact CD1-CE2 3.96Å; L22-F391 HydrophobicContact CD1-CG 3.72Å; L22-F391 HydrophobicContact CD1-CZ 4.24Å; L22-F391 HydrophobicContact CD2-CD2 4.45Å; L22-F391 HydrophobicContact CD2-CE1 4.29Å; L22-F391 HydrophobicContact CD2-CE2 3.87Å; L22-F391 HydrophobicContact CD2-CZ 3.77Å; W368-F391 HydrophobicContact CH2-CE2 4.28Å; W368-F391 HydrophobicContact CH2-CZ 4.41Å; W368-F391 HydrophobicContact CZ2-CE2 4.12Å; V387-F391 HydrophobicContact CG1-CD2 4.16Å; V387-F391 WeakPolarHBondContact O-CD2 3.29Å; V387-F391 PolarHBondContact O-N 3.38Å; V388-F391 PolarHBondContact O-N 3.49Å; F391-P393 VanDerWaalsContact C-CD 3.45Å; F391-F394 WeakPolarHBondContact O-CB 3.12Å; F391-F394 PolarHBondContact O-N 3.08Å; F391-F395 HydrophobicContact CB-CD2 4.21Å; F391-F395 HydrophobicContact CB-CE2 3.75Å; F391-F395 WeakPolarHBondContact O-CD2 3.03Å; F391-F395 PolarHBondContact O-N 2.93Å
392F90.6Very high93.1Very high59 Ų5927.9 Ų27.926%0.25914%0.144SC..Hα-helixtrans-51.3-43.3-178.7178.3-102.4000115Y48 L52 V388 F394 F395 L396 Y449Y48-F392 WeakPolarHBondContact OH-CD2 3.34Å; L52-F392 HydrophobicContact CD1-CE2 3.97Å; L52-F392 HydrophobicContact CD2-CD2 3.93Å; L52-F392 HydrophobicContact CD2-CE2 3.79Å; V388-F392 WeakPolarHBondContact O-CB 3.37Å; V388-F392 PolarHBondContact O-N 2.84Å; F392-F394 PolarHBondContact O-N 3.48Å; F392-F395 PolarHBondContact O-N 2.85Å; F392-L396 HydrophobicContact CE1-CD2 3.88Å; F392-L396 HydrophobicContact CZ-CD2 4.13Å; F392-L396 WeakPolarHBondContact O-CB 3.47Å; F392-L396 PolarHBondContact O-N 3.19Å; F392-Y449 HydrophobicContact CE1-CE1 4.43Å
393P93Very high92.7Very high2 Ų229.5 Ų29.51%0.01315%0.152CC..Hα-helixtrans-58.6-33.5177.4-24.735.5000113.8T389 F391 V397 L454 K457T389-P393 WeakPolarHBondContact O-CD 3.45Å; F391-P393 VanDerWaalsContact C-CD 3.45Å; P393-V397 WeakPolarHBondContact O-CG2 3.35Å; P393-V397 PolarHBondContact O-N 2.7Å; P393-L454 HydrophobicContact CB-CD1 3.98Å; P393-K457 HydrophobicContact CB-CD 4.44Å; P393-K457 HydrophobicContact CG-CD 4.18Å
394F93.2Very high92.4Very high76 Ų7630.3 Ų30.333%0.33316%0.156SC..Hα-helixtrans-73.8-45.8-179.1-57.6-88.2000111.5G390 F391 F392 L396 V397 A398 M458 L461G390-F394 VanDerWaalsContact O-CE2 3.29Å; G390-F394 WeakPolarHBondContact O-CE2 3.01Å; F391-F394 WeakPolarHBondContact O-CB 3.12Å; F391-F394 PolarHBondContact O-N 3.08Å; F392-F394 PolarHBondContact O-N 3.48Å; F394-L396 PolarHBondContact O-N 2.9Å; F394-V397 PolarHBondContact O-N 3.43Å; F394-A398 WeakPolarHBondContact O-CB 3.49Å; F394-A398 PolarHBondContact O-N 2.87Å; F394-M458 HydrophobicContact CD1-CE 3.68Å; F394-M458 HydrophobicContact CD1-SD 4.1Å; F394-M458 HydrophobicContact CE1-CE 4.19Å; F394-M458 HydrophobicContact CE1-SD 4.04Å; F394-M458 HydrophobicContact CG-CE 4.39Å; F394-L461 HydrophobicContact CE1-CD2 3.74Å; F394-L461 HydrophobicContact CZ-CD2 3.59Å
395F91Very high92.1Very high18 Ų1833.1 Ų33.18%0.07917%0.167CC..Hα-helixtrans-58-40.3173.5-68.6-61.4000111.3I25 L26 Y29 F391 F392 A398 T399I25-F395 HydrophobicContact CG2-CD2 4.19Å; I25-F395 HydrophobicContact CG2-CE2 3.57Å; I25-F395 HydrophobicContact CG2-CZ 3.88Å; L26-F395 HydrophobicContact CD1-CE1 3.86Å; L26-F395 HydrophobicContact CD1-CZ 4.21Å; Y29-F395 AromaticContact CD1-CD1 3.74Å; Y29-F395 HydrophobicContact CD1-CD1 3.74Å; Y29-F395 AromaticContact CD1-CE1 3.99Å; Y29-F395 HydrophobicContact CD1-CE1 3.99Å; Y29-F395 AromaticContact CD2-CD1 3.94Å; Y29-F395 HydrophobicContact CD2-CD1 3.94Å; Y29-F395 HydrophobicContact CE1-CD1 4.08Å; Y29-F395 HydrophobicContact CE2-CB 4.4Å; Y29-F395 HydrophobicContact CE2-CD1 4.28Å; Y29-F395 AromaticContact CG-CD1 3.66Å; Y29-F395 HydrophobicContact CG-CD1 3.66Å; Y29-F395 AromaticContact CG-CE1 3.99Å; Y29-F395 HydrophobicContact CG-CE1 3.99Å; Y29-F395 PolarHBondContact OH-O 3.38Å; F391-F395 HydrophobicContact CB-CD2 4.21Å; F391-F395 HydrophobicContact CB-CE2 3.75Å; F391-F395 WeakPolarHBondContact O-CD2 3.03Å; F391-F395 PolarHBondContact O-N 2.93Å; F392-F395 PolarHBondContact O-N 2.85Å; F395-A398 PolarHBondContact O-N 3.11Å; F395-T399 WeakPolarHBondContact O-CB 3.2Å; F395-T399 PolarHBondContact O-N 3.46Å; F395-T399 PolarHBondContact O-OG1 3.25Å
396L90.2Very high91.7Very high17 Ų1742.8 Ų42.89%0.08920%0.203CC..Hα-helixtrans-67.7-43.7179.5-168.659.8000112.3F392 F394 T399 V400 F415 Y449 M450 L454F392-L396 HydrophobicContact CE1-CD2 3.88Å; F392-L396 HydrophobicContact CZ-CD2 4.13Å; F392-L396 WeakPolarHBondContact O-CB 3.47Å; F392-L396 PolarHBondContact O-N 3.19Å; F394-L396 PolarHBondContact O-N 2.9Å; L396-T399 PolarHBondContact O-N 2.82Å; L396-V400 VanDerWaalsContact O-CG2 3.3Å; L396-V400 WeakPolarHBondContact O-CG2 3.4Å; L396-V400 PolarHBondContact O-N 3.45Å; L396-F415 HydrophobicContact CD1-CE2 4.19Å; L396-F415 HydrophobicContact CD1-CZ 4.11Å; L396-Y449 HydrophobicContact CD2-CD1 4.35Å; L396-Y449 HydrophobicContact CD2-CE1 3.76Å; L396-M450 HydrophobicContact CD1-CE 4.03Å; L396-M450 HydrophobicContact CD1-SD 4.16Å; L396-M450 HydrophobicContact CD2-CE 4.06Å; L396-M450 HydrophobicContact CD2-SD 3.49Å; L396-M450 WeakPolarHBondContact CD2-SD 3.4Å; L396-M450 HydrophobicContact CG-CE 3.89Å; L396-M450 HydrophobicContact CG-SD 3.99Å; L396-L454 HydrophobicContact CB-CD1 4.45Å; L396-L454 HydrophobicContact CB-CD2 4.47Å; L396-L454 HydrophobicContact CD2-CD1 4.14Å; L396-L454 HydrophobicContact CD2-CD2 4.03Å; L396-L454 HydrophobicContact CG-CD2 3.98Å
397V93.2Very high91.3Very high24 Ų2443.4 Ų43.415%0.14521%0.21CC..Hα-helixtrans-61.3-48.2173.9167.30000111P393 F394 T399 V400 I401 L454 M458 W490P393-V397 WeakPolarHBondContact O-CG2 3.35Å; P393-V397 PolarHBondContact O-N 2.7Å; F394-V397 PolarHBondContact O-N 3.43Å; V397-T399 VanDerWaalsContact C-N 3.29Å; V397-T399 PolarHBondContact O-N 3.16Å; V397-V400 PolarHBondContact O-N 3.29Å; V397-I401 HydrophobicContact CG1-CG1 4.31Å; V397-I401 WeakPolarHBondContact O-CG1 3.47Å; V397-I401 PolarHBondContact O-N 3.32Å; V397-L454 HydrophobicContact CG2-CD1 3.85Å; V397-L454 HydrophobicContact CG2-CD2 3.75Å; V397-L454 HydrophobicContact CG2-CG 3.62Å; V397-M458 HydrophobicContact CB-CE 3.74Å; V397-M458 HydrophobicContact CG1-CE 3.92Å; V397-M458 HydrophobicContact CG2-CE 3.61Å; V397-M458 HydrophobicContact CG2-CG 4.11Å; V397-W490 HydrophobicContact CB-CH2 4.49Å; V397-W490 HydrophobicContact CG1-CH2 4.26Å; V397-W490 HydrophobicContact CG1-CZ3 4.08Å; V397-W490 HydrophobicContact CG2-CH2 4.17Å; V397-W490 HydrophobicContact CG2-CZ3 4.38Å
398A91.9Very high90.9Very high46 Ų4648.8 Ų48.838%0.3823%0.23SC..Hα-helixtrans-58.4-42.6178.300000111.7F394 F395 H402F394-A398 WeakPolarHBondContact O-CB 3.49Å; F394-A398 PolarHBondContact O-N 2.87Å; F395-A398 PolarHBondContact O-N 3.11Å; A398-H402 WeakPolarHBondContact O-CB 3.39Å; A398-H402 PolarHBondContact O-N 2.83Å
399T89.5Confident90.7Very high30 Ų3050.3 Ų50.318%0.18424%0.237CC..Hα-helixtrans-62.7-49.4177.3-55.70000111.5Y29 F395 L396 V397 I401 H402 L403 F415Y29-T399 VanDerWaalsContact CE2-OG1 3.23Å; Y29-T399 WeakPolarHBondContact CE2-OG1 3.47Å; Y29-T399 PolarHBondContact OH-N 3.27Å; Y29-T399 PolarHBondContact OH-OG1 2.87Å; F395-T399 WeakPolarHBondContact O-CB 3.2Å; F395-T399 PolarHBondContact O-N 3.46Å; F395-T399 PolarHBondContact O-OG1 3.25Å; L396-T399 PolarHBondContact O-N 2.82Å; V397-T399 VanDerWaalsContact C-N 3.29Å; V397-T399 PolarHBondContact O-N 3.16Å; T399-I401 PolarHBondContact O-N 3.36Å; T399-H402 PolarHBondContact O-N 2.95Å; T399-L403 HydrophobicContact CG2-CD1 3.81Å; T399-L403 HydrophobicContact CG2-CG 4.22Å; T399-L403 WeakPolarHBondContact O-CB 3.47Å; T399-L403 VanDerWaalsContact O-CG 3.22Å; T399-L403 WeakPolarHBondContact O-CG 3.33Å; T399-L403 PolarHBondContact O-N 3.33Å; T399-F415 HydrophobicContact CG2-CE2 4.47Å
400V91Very high90.5Very high2 Ų249.4 Ų49.41%0.01223%0.229CC..Hα-helixtrans-60.8-48-179.8172.80000110.7L396 V397 H402 L403 F404 F415 M450 W490 L494L396-V400 VanDerWaalsContact O-CG2 3.3Å; L396-V400 WeakPolarHBondContact O-CG2 3.4Å; L396-V400 PolarHBondContact O-N 3.45Å; V397-V400 PolarHBondContact O-N 3.29Å; V400-H402 PolarHBondContact O-N 2.85Å; V400-L403 PolarHBondContact O-N 3.44Å; V400-F404 HydrophobicContact CG1-CD2 3.93Å; V400-F404 HydrophobicContact CG1-CE2 3.91Å; V400-F404 WeakPolarHBondContact O-CB 3.31Å; V400-F404 WeakPolarHBondContact O-CD2 3.29Å; V400-F404 PolarHBondContact O-N 3.32Å; V400-F415 HydrophobicContact CG2-CE1 3.78Å; V400-F415 HydrophobicContact CG2-CE2 4.36Å; V400-F415 HydrophobicContact CG2-CZ 3.54Å; V400-M450 HydrophobicContact CG2-CE 3.54Å; V400-W490 HydrophobicContact CB-CH2 4.05Å; V400-W490 HydrophobicContact CB-CZ2 4.2Å; V400-W490 HydrophobicContact CG1-CH2 3.85Å; V400-W490 HydrophobicContact CG1-CZ2 3.75Å; V400-L494 HydrophobicContact CG1-CD1 4.46Å; V400-L494 HydrophobicContact CG1-CD2 3.36Å
401I93Very high90.3Very high55 Ų5551.8 Ų51.828%0.28224%0.241SC..Hα-helixtrans-63-42.9178.8-63.2-59.6000111.2V397 T399 F404 Y405 W490 V493 L494V397-I401 HydrophobicContact CG1-CG1 4.31Å; V397-I401 WeakPolarHBondContact O-CG1 3.47Å; V397-I401 PolarHBondContact O-N 3.32Å; T399-I401 PolarHBondContact O-N 3.36Å; I401-F404 PolarHBondContact O-N 3.02Å; I401-Y405 HydrophobicContact CG2-CD2 4.16Å; I401-Y405 WeakPolarHBondContact O-CD2 3.33Å; I401-Y405 PolarHBondContact O-N 3.26Å; I401-W490 HydrophobicContact CD1-CH2 4.29Å; I401-W490 HydrophobicContact CD1-CZ3 3.91Å; I401-W490 HydrophobicContact CG1-CH2 4.49Å; I401-W490 HydrophobicContact CG1-CZ3 4.29Å; I401-V493 HydrophobicContact CD1-CG1 3.47Å; I401-V493 VanDerWaalsContact CD1-CG1 3.47Å; I401-L494 HydrophobicContact CD1-CD2 4.47Å
402H90.8Very high90.1Very high100 Ų10049.3 Ų49.346%0.46323%0.231SC..Hα-helixtrans-60.4-48.5177.3-178.883.2000111.9A398 T399 V400 F404 Y405 R406 G407A398-H402 WeakPolarHBondContact O-CB 3.39Å; A398-H402 PolarHBondContact O-N 2.83Å; T399-H402 PolarHBondContact O-N 2.95Å; V400-H402 PolarHBondContact O-N 2.85Å; H402-F404 VanDerWaalsContact C-N 3.31Å; H402-F404 PolarHBondContact O-N 3.16Å; H402-Y405 PolarHBondContact O-N 3.28Å; H402-R406 WeakPolarHBondContact O-CA 3.47Å; H402-R406 WeakPolarHBondContact O-CB 3.42Å; H402-R406 PolarHBondContact O-N 3.36Å; H402-G407 PolarHBondContact O-N 3.3Å
403L89.1Confident90.1Very high33 Ų3347.3 Ų47.317%0.17322%0.223CC..Hα-helixtrans-64.1-35.9-179.6-68.5176.3000112.6T399 V400 G407 N411 F415T399-L403 HydrophobicContact CG2-CD1 3.81Å; T399-L403 HydrophobicContact CG2-CG 4.22Å; T399-L403 WeakPolarHBondContact O-CB 3.47Å; T399-L403 VanDerWaalsContact O-CG 3.22Å; T399-L403 WeakPolarHBondContact O-CG 3.33Å; T399-L403 PolarHBondContact O-N 3.33Å; V400-L403 PolarHBondContact O-N 3.44Å; L403-G407 VanDerWaalsContact O-CA 3.25Å; L403-G407 WeakPolarHBondContact O-CA 3.43Å; L403-G407 PolarHBondContact O-N 2.88Å; L403-G407 VanDerWaalsContact O-N 3.16Å; L403-N411 HydrophobicContact CD2-CB 4.09Å; L403-F415 HydrophobicContact CD1-CB 3.65Å; L403-F415 HydrophobicContact CD1-CD2 3.72Å; L403-F415 HydrophobicContact CD1-CG 3.74Å
404F90.6Very high89.9Confident17 Ų1748.6 Ų48.68%0.07523%0.23CC..Hα-helixtrans-80.8-15.8-177.1-83.3-120.7000114.1V400 I401 H402 I412 L494 G497 V498 T501V400-F404 HydrophobicContact CG1-CD2 3.93Å; V400-F404 HydrophobicContact CG1-CE2 3.91Å; V400-F404 WeakPolarHBondContact O-CB 3.31Å; V400-F404 WeakPolarHBondContact O-CD2 3.29Å; V400-F404 PolarHBondContact O-N 3.32Å; I401-F404 PolarHBondContact O-N 3.02Å; H402-F404 VanDerWaalsContact C-N 3.31Å; H402-F404 PolarHBondContact O-N 3.16Å; F404-I412 HydrophobicContact CD1-CD1 4.37Å; F404-I412 HydrophobicContact CD2-CD1 4.33Å; F404-I412 HydrophobicContact CD2-CG1 4.05Å; F404-I412 HydrophobicContact CD2-CG2 4.35Å; F404-I412 HydrophobicContact CE1-CG2 4.26Å; F404-I412 HydrophobicContact CE2-CB 4.48Å; F404-I412 HydrophobicContact CE2-CG1 4.25Å; F404-I412 HydrophobicContact CE2-CG2 3.71Å; F404-I412 HydrophobicContact CG-CD1 4.19Å; F404-I412 HydrophobicContact CG-CG1 4.4Å; F404-I412 HydrophobicContact CZ-CG2 3.66Å; F404-L494 HydrophobicContact CD1-CB 4.02Å; F404-L494 HydrophobicContact CD1-CD2 3.85Å; F404-L494 HydrophobicContact CD1-CG 4.47Å; F404-L494 WeakPolarHBondContact CD1-O 3.47Å; F404-L494 HydrophobicContact CE1-CB 3.84Å; F404-L494 HydrophobicContact CE1-CD1 4.43Å; F404-L494 HydrophobicContact CE1-CD2 3.99Å; F404-L494 HydrophobicContact CE1-CG 4.28Å; F404-L494 HydrophobicContact CG-CD2 4.14Å; F404-L494 HydrophobicContact CZ-CD2 4.37Å; F404-G497 CarbonylContact O-C 3.57Å; F404-G497 WeakPolarHBondContact O-CA 3.27Å; F404-V498 HydrophobicContact CD1-CG2 3.68Å; F404-V498 HydrophobicContact CE1-CG2 3.56Å; F404-T501 PolarHBondContact O-OG1 2.78Å
405Y91.3Very high89.6Confident86 Ų8646.4 Ų46.434%0.33722%0.22SC..Hα-helixtrans-121.3-18.6-178.2-77.3-90.7000114.3I401 H402 V493 Y500I401-Y405 HydrophobicContact CG2-CD2 4.16Å; I401-Y405 WeakPolarHBondContact O-CD2 3.33Å; I401-Y405 PolarHBondContact O-N 3.26Å; H402-Y405 PolarHBondContact O-N 3.28Å; Y405-V493 HydrophobicContact CE2-CG1 4.08Å; Y405-V493 PolarHBondContact OH-O 3.17Å; Y405-Y500 HydrophobicContact CD1-CD1 4.22Å; Y405-Y500 WeakPolarHBondContact O-CE1 3.34Å
406R87Confident89.6Confident206 Ų20648 Ų4878%0.77723%0.229SC*.Hα-helixtrans-124.7-9178.1-63.7-169.2176.1-175.1-1.2113.4H402H402-R406 WeakPolarHBondContact O-CA 3.47Å; H402-R406 WeakPolarHBondContact O-CB 3.42Å; H402-R406 PolarHBondContact O-N 3.36Å
407G84.9Confident89.6Confident14 Ų1448.4 Ų48.414%0.14423%0.231CC..SBendtrans-87.2178.9177.800000112.6H402 L403 T501H402-G407 PolarHBondContact O-N 3.3Å; L403-G407 VanDerWaalsContact O-CA 3.25Å; L403-G407 WeakPolarHBondContact O-CA 3.43Å; L403-G407 PolarHBondContact O-N 2.88Å; L403-G407 VanDerWaalsContact O-N 3.16Å; G407-T501 WeakPolarHBondContact O-CG2 3.19Å
408R87.6Confident89.4Confident122 Ų12250.5 Ų50.546%0.4624%0.244SC..  trans-93.6163.7167.8-70.9-172.7179.91741.1111.3W410 N411 I412 E505 E514R408-W410 PolarHBondContact O-N 3.2Å; R408-N411 PolarHBondContact N-ND2 3.32Å; R408-N411 WeakPolarHBondContact O-CA 3.36Å; R408-N411 WeakPolarHBondContact O-CB 3.26Å; R408-N411 PolarHBondContact O-N 3.46Å; R408-I412 PolarHBondContact O-N 3.47Å; R408-E505 VanDerWaalsContact C-OE1 3.29Å; R408-E505 WeakPolarHBondContact CA-OE1 3.45Å; R408-E505 WeakPolarHBondContact CB-OE1 3.19Å; R408-E505 WeakPolarHBondContact CG-OE1 3.4Å; R408-E514 IonicContact CZ-OE1 3.07Å; R408-E514 IonicContact NH1-OE1 2.67Å; R408-E514 PolarHBondContact NH1-OE1 3.08Å
409L88.7Confident89.2Confident41 Ų4149.9 Ų49.922%0.21524%0.235CC..Hα-helixtrans-54.1-38.5172.5-74.7-179.1000111.8N411 I412 L413 T501 V502 E505 F510 L518L409-N411 VanDerWaalsContact C-N 3.3Å; L409-N411 PolarHBondContact O-N 3.42Å; L409-I412 PolarHBondContact O-N 2.86Å; L409-L413 PolarHBondContact O-N 3.48Å; L409-T501 HydrophobicContact CD2-CG2 4.17Å; L409-T501 HydrophobicContact CG-CG2 4.24Å; L409-V502 HydrophobicContact CD1-CG2 4.15Å; L409-V502 HydrophobicContact CD2-CG2 3.83Å; L409-V502 HydrophobicContact CG-CG2 4.47Å; L409-E505 WeakPolarHBondContact CB-OE2 3.4Å; L409-E505 VanDerWaalsContact CD1-OE2 3.24Å; L409-E505 WeakPolarHBondContact CD1-OE2 3.09Å; L409-E505 WeakPolarHBondContact CG-OE2 3.4Å; L409-E505 PolarHBondContact N-OE1 3.17Å; L409-F510 HydrophobicContact CD1-CZ 4.13Å; L409-L518 HydrophobicContact CB-CD2 4.02Å
410W88.4Confident89.2Confident24 Ų2449.1 Ų49.19%0.09123%0.23CC..Hα-helixtrans-60.4-39174.7173.3-112.2000112.4H42 R408 I412 L413 L414 L517 L518H42-W410 AromaticContact ND1-CD1 3.76Å; H42-W410 AromaticContact ND1-NE1 3.96Å; H42-W410 PolarHBondContact O-NE1 3.47Å; R408-W410 PolarHBondContact O-N 3.2Å; W410-I412 VanDerWaalsContact C-N 3.34Å; W410-I412 PolarHBondContact O-N 3.29Å; W410-L413 HydrophobicContact CE3-CD2 4.05Å; W410-L413 HydrophobicContact CZ3-CD2 4.05Å; W410-L413 HydrophobicContact CZ3-CG 4.5Å; W410-L413 PolarHBondContact O-N 3.38Å; W410-L414 HydrophobicContact CZ2-CB 4.48Å; W410-L414 HydrophobicContact CZ2-CD1 4.16Å; W410-L414 VanDerWaalsContact O-CB 3.24Å; W410-L414 WeakPolarHBondContact O-CB 3.45Å; W410-L414 PolarHBondContact O-N 2.75Å; W410-L517 HydrophobicContact CD2-CB 4.29Å; W410-L517 HydrophobicContact CE3-CB 3.93Å; W410-L517 HydrophobicContact CH2-CB 4.21Å; W410-L517 HydrophobicContact CH2-CD2 4.28Å; W410-L517 HydrophobicContact CZ2-CD2 4.43Å; W410-L517 HydrophobicContact CZ3-CB 3.89Å; W410-L517 VanDerWaalsContact CZ3-O 3.25Å; W410-L517 WeakPolarHBondContact CZ3-O 3.4Å; W410-L518 HydrophobicContact CB-CD2 4.14Å; W410-L518 HydrophobicContact CE3-CD2 4.42Å
411N87.4Confident89.2Confident51 Ų5154.3 Ų54.327%0.27326%0.257SS..Hα-helixtrans-66.7-37.8179.3-61.4-22.3000111.7L403 R408 L409 F415L403-N411 HydrophobicContact CD2-CB 4.09Å; R408-N411 PolarHBondContact N-ND2 3.32Å; R408-N411 WeakPolarHBondContact O-CA 3.36Å; R408-N411 WeakPolarHBondContact O-CB 3.26Å; R408-N411 PolarHBondContact O-N 3.46Å; L409-N411 VanDerWaalsContact C-N 3.3Å; L409-N411 PolarHBondContact O-N 3.42Å; N411-F415 WeakPolarHBondContact O-CB 3.23Å; N411-F415 PolarHBondContact O-N 3.31Å
412I88.9Confident89Confident13 Ų1354.6 Ų54.67%0.06726%0.261CS..Hα-helixtrans-64-47.9174.6-61.3173.8000109.8F404 R408 L409 W410 F415 L416 V498 T501F404-I412 HydrophobicContact CD1-CD1 4.37Å; F404-I412 HydrophobicContact CD2-CD1 4.33Å; F404-I412 HydrophobicContact CD2-CG1 4.05Å; F404-I412 HydrophobicContact CD2-CG2 4.35Å; F404-I412 HydrophobicContact CE1-CG2 4.26Å; F404-I412 HydrophobicContact CE2-CB 4.48Å; F404-I412 HydrophobicContact CE2-CG1 4.25Å; F404-I412 HydrophobicContact CE2-CG2 3.71Å; F404-I412 HydrophobicContact CG-CD1 4.19Å; F404-I412 HydrophobicContact CG-CG1 4.4Å; F404-I412 HydrophobicContact CZ-CG2 3.66Å; R408-I412 PolarHBondContact O-N 3.47Å; L409-I412 PolarHBondContact O-N 2.86Å; W410-I412 VanDerWaalsContact C-N 3.34Å; W410-I412 PolarHBondContact O-N 3.29Å; I412-F415 WeakPolarHBondContact O-CB 3.31Å; I412-F415 PolarHBondContact O-N 2.99Å; I412-L416 HydrophobicContact CG2-CD1 4.45Å; I412-L416 WeakPolarHBondContact O-CG 3.3Å; I412-L416 PolarHBondContact O-N 3.32Å; I412-V498 HydrophobicContact CD1-CG2 4.36Å; I412-T501 HydrophobicContact CD1-CG2 4.44Å
413L90.9Very high89Confident16 Ų1649.9 Ų49.98%0.08424%0.239CC..Hα-helixtrans-63.3-44.8178.7179.958.7000112.2L409 W410 F415 L416 L417 L518L409-L413 PolarHBondContact O-N 3.48Å; W410-L413 HydrophobicContact CE3-CD2 4.05Å; W410-L413 HydrophobicContact CZ3-CD2 4.05Å; W410-L413 HydrophobicContact CZ3-CG 4.5Å; W410-L413 PolarHBondContact O-N 3.38Å; L413-F415 VanDerWaalsContact C-N 3.3Å; L413-F415 PolarHBondContact O-N 2.95Å; L413-L416 WeakPolarHBondContact O-CB 3.25Å; L413-L416 PolarHBondContact O-N 3Å; L413-L417 HydrophobicContact CD1-CD1 4.44Å; L413-L417 HydrophobicContact CD1-CG 4.45Å; L413-L417 HydrophobicContact CG-CD1 4.16Å; L413-L417 WeakPolarHBondContact O-CG 3.35Å; L413-L417 PolarHBondContact O-N 3.43Å; L413-L518 HydrophobicContact CD2-CD2 4.16Å
414L88.7Confident89.2Confident30 Ų3052.1 Ų52.116%0.15725%0.25CS..Hα-helixtrans-60.5-40.5176.1-17966.5000111.6H42 L43 W410 L417 T418H42-L414 WeakPolarHBondContact O-CD2 3.37Å; L43-L414 HydrophobicContact CD1-CD1 4.32Å; W410-L414 HydrophobicContact CZ2-CB 4.48Å; W410-L414 HydrophobicContact CZ2-CD1 4.16Å; W410-L414 VanDerWaalsContact O-CB 3.24Å; W410-L414 WeakPolarHBondContact O-CB 3.45Å; W410-L414 PolarHBondContact O-N 2.75Å; L414-L417 PolarHBondContact O-N 3.12Å; L414-T418 WeakPolarHBondContact O-CB 3.17Å; L414-T418 PolarHBondContact O-N 3.34Å; L414-T418 PolarHBondContact O-OG1 3.47Å
415F87.6Confident89.2Confident29 Ų2955.7 Ų55.713%0.12727%0.273CS..Hα-helixtrans-61.4-46.2174.3171.1-98.7000111.8L396 T399 V400 L403 N411 I412 L413 L417 T418 V419 M450L396-F415 HydrophobicContact CD1-CE2 4.19Å; L396-F415 HydrophobicContact CD1-CZ 4.11Å; T399-F415 HydrophobicContact CG2-CE2 4.47Å; V400-F415 HydrophobicContact CG2-CE1 3.78Å; V400-F415 HydrophobicContact CG2-CE2 4.36Å; V400-F415 HydrophobicContact CG2-CZ 3.54Å; L403-F415 HydrophobicContact CD1-CB 3.65Å; L403-F415 HydrophobicContact CD1-CD2 3.72Å; L403-F415 HydrophobicContact CD1-CG 3.74Å; N411-F415 WeakPolarHBondContact O-CB 3.23Å; N411-F415 PolarHBondContact O-N 3.31Å; I412-F415 WeakPolarHBondContact O-CB 3.31Å; I412-F415 PolarHBondContact O-N 2.99Å; L413-F415 VanDerWaalsContact C-N 3.3Å; L413-F415 PolarHBondContact O-N 2.95Å; F415-L417 PolarHBondContact O-N 3.15Å; F415-T418 WeakPolarHBondContact O-CB 3.23Å; F415-T418 PolarHBondContact O-N 3.43Å; F415-V419 HydrophobicContact CD1-CG2 4.48Å; F415-V419 HydrophobicContact CD2-CG2 4.5Å; F415-V419 HydrophobicContact CE1-CG2 4.01Å; F415-V419 HydrophobicContact CE2-CG2 4.03Å; F415-V419 HydrophobicContact CZ-CG2 3.76Å; F415-V419 WeakPolarHBondContact O-CG2 3.49Å; F415-V419 PolarHBondContact O-N 2.87Å; F415-M450 HydrophobicContact CE1-CE 3.96Å; F415-M450 HydrophobicContact CZ-CE 3.62Å
416L90.2Very high89.1Confident52 Ų5255.2 Ų55.227%0.27227%0.273SS..Hα-helixtrans-61.6-43.8177.1-68.8175.6000111.9I412 L413 T418 V419 Q420 Y525I412-L416 HydrophobicContact CG2-CD1 4.45Å; I412-L416 WeakPolarHBondContact O-CG 3.3Å; I412-L416 PolarHBondContact O-N 3.32Å; L413-L416 WeakPolarHBondContact O-CB 3.25Å; L413-L416 PolarHBondContact O-N 3Å; L416-T418 VanDerWaalsContact C-N 3.33Å; L416-T418 PolarHBondContact O-N 2.95Å; L416-V419 PolarHBondContact O-N 3.19Å; L416-Q420 WeakPolarHBondContact O-CG 3.46Å; L416-Q420 PolarHBondContact O-N 2.87Å; L416-Y525 HydrophobicContact CB-CD2 4.14Å; L416-Y525 HydrophobicContact CB-CE2 3.57Å; L416-Y525 HydrophobicContact CD1-CE2 4.37Å; L416-Y525 HydrophobicContact CG-CE2 4.45Å
417L90.8Very high89.4Confident26 Ų2645.4 Ų45.414%0.13624%0.236CC..Hα-helixtrans-61.8-39.3173.9-71.9169.8000111.9L413 L414 F415 Q420 L421 L524 Y525L413-L417 HydrophobicContact CD1-CD1 4.44Å; L413-L417 HydrophobicContact CD1-CG 4.45Å; L413-L417 HydrophobicContact CG-CD1 4.16Å; L413-L417 WeakPolarHBondContact O-CG 3.35Å; L413-L417 PolarHBondContact O-N 3.43Å; L414-L417 PolarHBondContact O-N 3.12Å; F415-L417 PolarHBondContact O-N 3.15Å; L417-Q420 WeakPolarHBondContact O-CB 3.46Å; L417-Q420 PolarHBondContact O-N 3.35Å; L417-L421 WeakPolarHBondContact O-CB 3.41Å; L417-L421 PolarHBondContact O-N 3.47Å; L417-L524 HydrophobicContact CD2-CB 4.42Å; L417-L524 HydrophobicContact CD2-CD2 3.97Å; L417-L524 HydrophobicContact CD2-CG 4.1Å; L417-Y525 HydrophobicContact CD2-CD2 4.16Å
418T88.4Confident89.8Confident67 Ų6748 Ų4841%0.41125%0.248SC..Hα-helixtrans-65.5-43.7177.1-59.70000111.4L414 F415 L416 Q420 L421 V422L414-T418 WeakPolarHBondContact O-CB 3.17Å; L414-T418 PolarHBondContact O-N 3.34Å; L414-T418 PolarHBondContact O-OG1 3.47Å; F415-T418 WeakPolarHBondContact O-CB 3.23Å; F415-T418 PolarHBondContact O-N 3.43Å; L416-T418 VanDerWaalsContact C-N 3.33Å; L416-T418 PolarHBondContact O-N 2.95Å; T418-Q420 VanDerWaalsContact C-N 3.3Å; T418-Q420 PolarHBondContact O-N 3.32Å; T418-L421 PolarHBondContact O-N 3.34Å; T418-V422 WeakPolarHBondContact O-CG2 3.49Å; T418-V422 PolarHBondContact O-N 3.33Å
419V88.4Confident89.9Confident33 Ų3345.1 Ų45.120%0.224%0.238CC..Hα-helixtrans-60.5-42.1175.11710000110.7F415 L416 G423 M450F415-V419 HydrophobicContact CD1-CG2 4.48Å; F415-V419 HydrophobicContact CD2-CG2 4.5Å; F415-V419 HydrophobicContact CE1-CG2 4.01Å; F415-V419 HydrophobicContact CE2-CG2 4.03Å; F415-V419 HydrophobicContact CZ-CG2 3.76Å; F415-V419 WeakPolarHBondContact O-CG2 3.49Å; F415-V419 PolarHBondContact O-N 2.87Å; L416-V419 PolarHBondContact O-N 3.19Å; V419-G423 PolarHBondContact O-N 3.48Å; V419-M450 HydrophobicContact CG1-CG 4.25Å
420Q90.3Very high90Very high15 Ų1543.1 Ų43.17%0.0723%0.228CC..Hα-helixtrans-62.7-48.1174.7-74.3-179.9-17.500112.1L416 L417 T418 V422 G423 M424 Y525 Y528L416-Q420 WeakPolarHBondContact O-CG 3.46Å; L416-Q420 PolarHBondContact O-N 2.87Å; L417-Q420 WeakPolarHBondContact O-CB 3.46Å; L417-Q420 PolarHBondContact O-N 3.35Å; T418-Q420 VanDerWaalsContact C-N 3.3Å; T418-Q420 PolarHBondContact O-N 3.32Å; Q420-V422 PolarHBondContact O-N 2.85Å; Q420-G423 CarbonylContact O-C 3.42Å; Q420-G423 WeakPolarHBondContact O-CA 3.39Å; Q420-G423 PolarHBondContact O-N 3.42Å; Q420-G423 VanDerWaalsContact O-N 3.08Å; Q420-M424 WeakPolarHBondContact O-CG 3.33Å; Q420-M424 PolarHBondContact O-N 3.2Å; Q420-Y525 HydrophobicContact CG-CD2 4.42Å; Q420-Y525 HydrophobicContact CG-CE2 4.09Å; Q420-Y525 VanDerWaalsContact OE1-CD2 3.23Å; Q420-Y528 HydrophobicContact CB-CE2 4.41Å; Q420-Y528 VanDerWaalsContact CD-CD1 3.42Å; Q420-Y528 HydrophobicContact CG-CD1 4.1Å; Q420-Y528 HydrophobicContact CG-CE1 3.78Å; Q420-Y528 VanDerWaalsContact NE2-CE1 3.29Å
421L90.1Very high90.2Very high110 Ų11042.8 Ų42.858%0.57623%0.229SC*.Hα-helixtrans-57.1-48.917917863.5000111.2L417 T418 G423 M424 V425L417-L421 WeakPolarHBondContact O-CB 3.41Å; L417-L421 PolarHBondContact O-N 3.47Å; T418-L421 PolarHBondContact O-N 3.34Å; L421-G423 VanDerWaalsContact C-N 3.29Å; L421-G423 PolarHBondContact O-N 2.89Å; L421-M424 PolarHBondContact O-N 3.47Å; L421-M424 VanDerWaalsContact O-N 3.17Å; L421-V425 HydrophobicContact CD1-CG2 4.48Å; L421-V425 WeakPolarHBondContact O-CG2 3.2Å; L421-V425 PolarHBondContact O-N 2.82Å
422V89Confident90.3Very high61 Ų6148.2 Ų48.237%0.3725%0.25SS..Hα-helixtrans-61.1-41.1176.1173.20000110.9L56 T418 Q420 V425 K426L56-V422 HydrophobicContact CD1-CG1 4.06Å; T418-V422 WeakPolarHBondContact O-CG2 3.49Å; T418-V422 PolarHBondContact O-N 3.33Å; Q420-V422 PolarHBondContact O-N 2.85Å; V422-V425 PolarHBondContact O-N 3.46Å; V422-K426 WeakPolarHBondContact O-CG 3.27Å; V422-K426 PolarHBondContact O-N 3.36Å
423G90.9Very high90.2Very high1 Ų149 Ų491%0.0126%0.255CS..Hα-helixtrans-58.6-44.6173.800000112.7V419 Q420 L421 K426 A427V419-G423 PolarHBondContact O-N 3.48Å; Q420-G423 CarbonylContact O-C 3.42Å; Q420-G423 WeakPolarHBondContact O-CA 3.39Å; Q420-G423 PolarHBondContact O-N 3.42Å; Q420-G423 VanDerWaalsContact O-N 3.08Å; L421-G423 VanDerWaalsContact C-N 3.29Å; L421-G423 PolarHBondContact O-N 2.89Å; G423-K426 PolarHBondContact O-N 3.2Å; G423-A427 VanDerWaalsContact O-CB 3.24Å; G423-A427 WeakPolarHBondContact O-CB 3.5Å; G423-A427 PolarHBondContact O-N 2.91Å
424M92.1Very high90.1Very high81 Ų8152.5 Ų52.540%0.39927%0.267SS..Hα-helixtrans-66.4-43.8177.3-72.6-175.970.600112.1Q420 L421 K426 A427 T428 Y528Q420-M424 WeakPolarHBondContact O-CG 3.33Å; Q420-M424 PolarHBondContact O-N 3.2Å; L421-M424 PolarHBondContact O-N 3.47Å; L421-M424 VanDerWaalsContact O-N 3.17Å; M424-K426 VanDerWaalsContact C-N 3.33Å; M424-K426 PolarHBondContact O-N 3.26Å; M424-A427 WeakPolarHBondContact O-CB 3.37Å; M424-A427 PolarHBondContact O-N 3.08Å; M424-T428 WeakPolarHBondContact O-CB 3.29Å; M424-T428 PolarHBondContact O-N 2.83Å; M424-T428 PolarHBondContact O-OG1 3.48Å; M424-Y528 HydrophobicContact CG-CD2 4.37Å; M424-Y528 HydrophobicContact CG-CE2 3.71Å; M424-Y528 HydrophobicContact SD-CD2 3.72Å; M424-Y528 HydrophobicContact SD-CE2 3.7Å
425V91.1Very high90.1Very high92 Ų9254.5 Ų54.556%0.55829%0.294SS*.Hα-helixtrans-58.4-46.8176.3170.30000110.5L421 V422 T428 Y429L421-V425 HydrophobicContact CD1-CG2 4.48Å; L421-V425 WeakPolarHBondContact O-CG2 3.2Å; L421-V425 PolarHBondContact O-N 2.82Å; V422-V425 PolarHBondContact O-N 3.46Å; V425-T428 PolarHBondContact O-N 2.87Å; V425-Y429 PolarHBondContact O-N 3.46Å
426K90.8Very high90.2Very high76 Ų7655 Ų5533%0.3330%0.301SS..Hα-helixtrans-62.3-45.2175.9-74-177.5177.1-1710112.3M268 V422 G423 M424 Y429 A430M268-K426 HydrophobicContact CE-CB 4.32Å; V422-K426 WeakPolarHBondContact O-CG 3.27Å; V422-K426 PolarHBondContact O-N 3.36Å; G423-K426 PolarHBondContact O-N 3.2Å; M424-K426 VanDerWaalsContact C-N 3.33Å; M424-K426 PolarHBondContact O-N 3.26Å; K426-Y429 PolarHBondContact O-N 3Å; K426-A430 VanDerWaalsContact O-CB 3.31Å; K426-A430 WeakPolarHBondContact O-CB 3.34Å; K426-A430 PolarHBondContact O-N 2.99Å
427A92.6Very high90.2Very high0 Ų059 Ų590%032%0.322CS..Hα-helixtrans-59.2-47.4177.500000112G423 M424 A430 C431 M439 M442G423-A427 VanDerWaalsContact O-CB 3.24Å; G423-A427 WeakPolarHBondContact O-CB 3.5Å; G423-A427 PolarHBondContact O-N 2.91Å; M424-A427 WeakPolarHBondContact O-CB 3.37Å; M424-A427 PolarHBondContact O-N 3.08Å; A427-A430 CarbonylContact O-C 3.59Å; A427-A430 WeakPolarHBondContact O-CB 3.46Å; A427-A430 PolarHBondContact O-N 2.89Å; A427-C431 PolarHBondContact O-N 3.48Å; A427-C431 PolarHBondContact O-SG 3.29Å; A427-M439 WeakPolarHBondContact CB-O 3.42Å; A427-M442 HydrophobicContact CB-CB 4.25Å
428T92.4Very high90.2Very high67 Ų6758.9 Ų58.941%0.41132%0.323SS..Hα-helixtrans-62.7-46.4178.7-63.40000111.5M424 V425 A430 C431 F432M424-T428 WeakPolarHBondContact O-CB 3.29Å; M424-T428 PolarHBondContact O-N 2.83Å; M424-T428 PolarHBondContact O-OG1 3.48Å; V425-T428 PolarHBondContact O-N 2.87Å; T428-A430 VanDerWaalsContact C-N 3.29Å; T428-A430 PolarHBondContact O-N 3.5Å; T428-C431 WeakPolarHBondContact O-CB 3.49Å; T428-C431 PolarHBondContact O-N 3.34Å; T428-C431 VanDerWaalsContact O-N 3.14Å; T428-F432 HydrophobicContact CG2-CD2 3.99Å; T428-F432 HydrophobicContact CG2-CE2 3.49Å; T428-F432 VanDerWaalsContact CG2-CE2 3.49Å; T428-F432 HydrophobicContact CG2-CZ 4.42Å; T428-F432 WeakPolarHBondContact O-CD2 3.48Å; T428-F432 PolarHBondContact O-N 3.38Å; T428-F432 VanDerWaalsContact O-N 3.1Å
429Y90.1Very high90.4Very high62 Ų6255.7 Ų55.724%0.24330%0.303CS..Hα-helixtrans-58.2-43.5174.2177.4-110.4000111.9S60 I272 V425 K426 C431 F432 L433S60-Y429 PolarHBondContact O-OH 2.64Å; I272-Y429 HydrophobicContact CD1-CD1 4.26Å; I272-Y429 HydrophobicContact CD1-CE1 3.64Å; V425-Y429 PolarHBondContact O-N 3.46Å; K426-Y429 PolarHBondContact O-N 3Å; Y429-C431 VanDerWaalsContact C-N 3.34Å; Y429-C431 PolarHBondContact O-N 3.48Å; Y429-F432 PolarHBondContact O-N 2.79Å; Y429-L433 HydrophobicContact CE1-CD2 4.3Å; Y429-L433 PolarHBondContact O-N 3.33Å
430A90.9Very high90.6Very high0 Ų056.6 Ų56.60%031%0.306CS..Hα-helixtrans-64.8-35.8176.400000113W267 M268 K426 A427 T428 F432 R434 M439W267-A430 HydrophobicContact CE3-CB 4.22Å; W267-A430 HydrophobicContact CH2-CB 4.3Å; W267-A430 HydrophobicContact CZ3-CB 3.59Å; M268-A430 HydrophobicContact SD-CB 3.56Å; M268-A430 VanDerWaalsContact SD-CB 3.56Å; K426-A430 VanDerWaalsContact O-CB 3.31Å; K426-A430 WeakPolarHBondContact O-CB 3.34Å; K426-A430 PolarHBondContact O-N 2.99Å; A427-A430 CarbonylContact O-C 3.59Å; A427-A430 WeakPolarHBondContact O-CB 3.46Å; A427-A430 PolarHBondContact O-N 2.89Å; T428-A430 VanDerWaalsContact C-N 3.29Å; T428-A430 PolarHBondContact O-N 3.5Å; A430-F432 VanDerWaalsContact C-N 3.34Å; A430-R434 WeakPolarHBondContact O-CB 3.31Å; A430-R434 PolarHBondContact O-N 2.91Å; A430-M439 HydrophobicContact CB-CB 3.79Å; A430-M439 HydrophobicContact CB-CE 3.74Å; A430-M439 HydrophobicContact CB-CG 4.03Å
431C92.1Very high90.7Very high17 Ų1755.9 Ų55.912%0.11530%0.303CS..Hα-helixtrans-58.8-45.6172.2-710000111.1A427 T428 Y429 G435 S436A427-C431 PolarHBondContact O-N 3.48Å; A427-C431 PolarHBondContact O-SG 3.29Å; T428-C431 WeakPolarHBondContact O-CB 3.49Å; T428-C431 PolarHBondContact O-N 3.34Å; T428-C431 VanDerWaalsContact O-N 3.14Å; Y429-C431 VanDerWaalsContact C-N 3.34Å; Y429-C431 PolarHBondContact O-N 3.48Å; C431-G435 VanDerWaalsContact O-CA 3.28Å; C431-G435 WeakPolarHBondContact O-CA 3.4Å; C431-G435 PolarHBondContact O-N 3.29Å; C431-S436 PolarHBondContact O-N 3.01Å; C431-S436 VanDerWaalsContact O-N 3.16Å
432F89.9Confident90.8Very high165 Ų16551.5 Ų51.572%0.72428%0.28SS*.Hα-helixtrans-65.8-48.1178.2-72-61.2000112.4T428 Y429 A430 G435T428-F432 HydrophobicContact CG2-CD2 3.99Å; T428-F432 HydrophobicContact CG2-CE2 3.49Å; T428-F432 VanDerWaalsContact CG2-CE2 3.49Å; T428-F432 HydrophobicContact CG2-CZ 4.42Å; T428-F432 WeakPolarHBondContact O-CD2 3.48Å; T428-F432 PolarHBondContact O-N 3.38Å; T428-F432 VanDerWaalsContact O-N 3.1Å; Y429-F432 PolarHBondContact O-N 2.79Å; A430-F432 VanDerWaalsContact C-N 3.34Å; F432-G435 PolarHBondContact O-N 3.34Å
433L87.5Confident90.9Very high30 Ų3048.7 Ų48.716%0.15726%0.263CS..Hα-helixtrans-69.2-36.2-177.3-176.567000112.2F64 W267 I272 Y429F64-L433 HydrophobicContact CD2-CD1 4.1Å; W267-L433 HydrophobicContact CH2-CB 3.97Å; W267-L433 HydrophobicContact CH2-CD2 3.85Å; W267-L433 HydrophobicContact CH2-CG 4Å; W267-L433 HydrophobicContact CZ2-CD2 4.5Å; W267-L433 HydrophobicContact CZ2-CG 4.41Å; I272-L433 HydrophobicContact CD1-CD2 3.38Å; Y429-L433 HydrophobicContact CE1-CD2 4.3Å; Y429-L433 PolarHBondContact O-N 3.33Å
434R89.3Confident90.9Very high89 Ų8949.8 Ų49.834%0.33627%0.268SS..Hα-helixtrans-80.6-25.5176.6-165.2175.3178.2176.61.7113.3W267 A430 S436 M439W267-R434 HydrophobicContact CH2-CB 4.03Å; W267-R434 HydrophobicContact CZ2-CB 3.48Å; W267-R434 VanDerWaalsContact CZ2-CB 3.48Å; W267-R434 HydrophobicContact CZ2-CG 3.94Å; A430-R434 WeakPolarHBondContact O-CB 3.31Å; A430-R434 PolarHBondContact O-N 2.91Å; R434-S436 VanDerWaalsContact C-N 3.35Å; R434-M439 HydrophobicContact CB-CG 4.04Å; R434-M439 VanDerWaalsContact CD-CG 3.47Å; R434-M439 VanDerWaalsContact CD-SD 3.57Å; R434-M439 HydrophobicContact CG-CG 4.37Å; R434-M439 PolarHBondContact NH1-SD 3.4Å
435G88.3Confident90.8Very high71 Ų7146.5 Ų46.573%0.73225%0.252SS*.THydrogen-bonded Turntrans68.930.1-16800000113.3C431 F432C431-G435 VanDerWaalsContact O-CA 3.28Å; C431-G435 WeakPolarHBondContact O-CA 3.4Å; C431-G435 PolarHBondContact O-N 3.29Å; F432-G435 PolarHBondContact O-N 3.34Å
436S89.4Confident90.6Very high39 Ų3943.3 Ų43.327%0.27323%0.233SC..  trans-144.6125-176.1-174.90000112.9C431 R434 V438 M439C431-S436 PolarHBondContact O-N 3.01Å; C431-S436 VanDerWaalsContact O-N 3.16Å; R434-S436 VanDerWaalsContact C-N 3.35Å; S436-V438 PolarHBondContact O-N 3.25Å; S436-V438 VanDerWaalsContact O-N 3.16Å; S436-M439 PolarHBondContact O-N 3.01Å
437L89.5Confident90.3Very high136 Ų13643.4 Ų43.471%0.71224%0.237SC*.G310 helixtrans-64.9-14.9177.4-66.5178.1000113.9M439 I440L437-M439 PolarHBondContact O-N 2.99Å; L437-M439 VanDerWaalsContact O-N 3.09Å; L437-I440 WeakPolarHBondContact O-CB 3.44Å; L437-I440 VanDerWaalsContact O-CG2 3.24Å; L437-I440 WeakPolarHBondContact O-CG2 3.46Å; L437-I440 PolarHBondContact O-N 2.79Å
438V90.3Very high90.2Very high25 Ų2543.9 Ų43.915%0.15224%0.239CC..G310 helixtrans-58.5-24175.1176.50000111.6F260 V264 S436 I440 F441F260-V438 HydrophobicContact CE2-CG1 3.91Å; F260-V438 HydrophobicContact CZ-CG1 3.88Å; V264-V438 HydrophobicContact CG1-CG1 4.45Å; S436-V438 PolarHBondContact O-N 3.25Å; S436-V438 VanDerWaalsContact O-N 3.16Å; V438-I440 PolarHBondContact O-N 2.96Å; V438-F441 VanDerWaalsContact O-CD2 3.31Å; V438-F441 WeakPolarHBondContact O-CD2 3.19Å; V438-F441 PolarHBondContact O-N 3.25Å
439M93.3Very high90.1Very high0 Ų042.8 Ų42.80%023%0.228CC..G310 helixtrans-68.6-11176.7-65.5-53.3-59.300114V264 W267 M268 A427 A430 R434 S436 L437 F441 M442V264-M439 HydrophobicContact CB-CE 4.13Å; V264-M439 HydrophobicContact CB-SD 4.33Å; V264-M439 HydrophobicContact CG1-SD 4.2Å; W267-M439 HydrophobicContact CB-CE 4.16Å; W267-M439 HydrophobicContact CB-SD 4.27Å; W267-M439 HydrophobicContact CD2-CE 3.94Å; W267-M439 HydrophobicContact CD2-SD 4.1Å; W267-M439 HydrophobicContact CE3-CE 3.43Å; W267-M439 VanDerWaalsContact CE3-CE 3.43Å; W267-M439 HydrophobicContact CE3-SD 4.16Å; W267-M439 HydrophobicContact CG-CE 4.25Å; W267-M439 HydrophobicContact CG-SD 4.14Å; W267-M439 HydrophobicContact CZ3-CE 4.15Å; M268-M439 HydrophobicContact CG-CE 4.09Å; M268-M439 HydrophobicContact SD-CE 4.16Å; A427-M439 WeakPolarHBondContact CB-O 3.42Å; A430-M439 HydrophobicContact CB-CB 3.79Å; A430-M439 HydrophobicContact CB-CE 3.74Å; A430-M439 HydrophobicContact CB-CG 4.03Å; R434-M439 HydrophobicContact CB-CG 4.04Å; R434-M439 VanDerWaalsContact CD-CG 3.47Å; R434-M439 VanDerWaalsContact CD-SD 3.57Å; R434-M439 HydrophobicContact CG-CG 4.37Å; R434-M439 PolarHBondContact NH1-SD 3.4Å; S436-M439 PolarHBondContact O-N 3.01Å; L437-M439 PolarHBondContact O-N 2.99Å; L437-M439 VanDerWaalsContact O-N 3.09Å; M439-F441 PolarHBondContact O-N 3.46Å; M439-M442 HydrophobicContact CE-CB 4.37Å; M439-M442 WeakPolarHBondContact O-CB 3.47Å; M439-M442 PolarHBondContact O-N 2.97Å
440I92.6Very high90.1Very high52 Ų5241.1 Ų41.127%0.26722%0.223SC..G310 helixtrans-58.1-32.9176-159.1167.8000112.2L437 V438 M442 S443 L532 L535L437-I440 WeakPolarHBondContact O-CB 3.44Å; L437-I440 VanDerWaalsContact O-CG2 3.24Å; L437-I440 WeakPolarHBondContact O-CG2 3.46Å; L437-I440 PolarHBondContact O-N 2.79Å; V438-I440 PolarHBondContact O-N 2.96Å; I440-M442 PolarHBondContact O-N 3.18Å; I440-S443 WeakPolarHBondContact O-CB 3.47Å; I440-S443 PolarHBondContact O-N 3.02Å; I440-S443 PolarHBondContact O-OG 3.24Å; I440-L532 HydrophobicContact CG1-CD2 4.37Å; I440-L535 HydrophobicContact CD1-CD1 4.43Å
441F92.7Very high90.1Very high0 Ų043.2 Ų43.20%024%0.237CC..G310 helixtrans-70.2-8.8178.4-60.9-68.7000113.8F260 L261 V438 M439 S443 L444 L535 Y536 I539 V540F260-F441 HydrophobicContact CE1-CB 3.66Å; F260-F441 HydrophobicContact CE1-CD1 4.43Å; F260-F441 AromaticContact CE1-CD2 3.71Å; F260-F441 HydrophobicContact CE1-CD2 3.71Å; F260-F441 HydrophobicContact CE1-CE2 4.47Å; F260-F441 AromaticContact CE1-CG 3.68Å; F260-F441 HydrophobicContact CE1-CG 3.68Å; F260-F441 HydrophobicContact CZ-CB 4.14Å; F260-F441 AromaticContact CZ-CD2 3.52Å; F260-F441 HydrophobicContact CZ-CD2 3.52Å; F260-F441 HydrophobicContact CZ-CE2 4.16Å; F260-F441 AromaticContact CZ-CG 3.99Å; F260-F441 HydrophobicContact CZ-CG 3.99Å; L261-F441 HydrophobicContact CD2-CB 4.49Å; V438-F441 VanDerWaalsContact O-CD2 3.31Å; V438-F441 WeakPolarHBondContact O-CD2 3.19Å; V438-F441 PolarHBondContact O-N 3.25Å; M439-F441 PolarHBondContact O-N 3.46Å; F441-S443 PolarHBondContact O-N 3.48Å; F441-L444 HydrophobicContact CB-CD1 4.38Å; F441-L444 HydrophobicContact CD1-CD1 3.77Å; F441-L444 WeakPolarHBondContact O-CB 3.07Å; F441-L444 PolarHBondContact O-N 3.27Å; F441-L444 VanDerWaalsContact O-N 3.1Å; F441-L535 HydrophobicContact CE1-CB 4.05Å; F441-L535 HydrophobicContact CZ-CB 3.94Å; F441-Y536 HydrophobicContact CE1-CD2 4.42Å; F441-I539 HydrophobicContact CE2-CB 4.42Å; F441-I539 HydrophobicContact CE2-CD1 4.33Å; F441-I539 HydrophobicContact CE2-CG2 4.4Å; F441-I539 HydrophobicContact CZ-CB 4.44Å; F441-I539 HydrophobicContact CZ-CD1 4.29Å; F441-V540 HydrophobicContact CD2-CG2 4.28Å; F441-V540 HydrophobicContact CE2-CG2 3.74Å; F441-V540 HydrophobicContact CZ-CG2 4.04Å
442M91.9Very high90.1Very high17 Ų1742.4 Ų42.48%0.08423%0.232CC..Hα-helixtrans-59.6-28.4170.1-175.859.1-148.400111.7V264 M268 A427 M439 I440 L444 Y445V264-M442 HydrophobicContact CB-CB 4.49Å; V264-M442 HydrophobicContact CB-SD 4.44Å; V264-M442 HydrophobicContact CG2-CB 4.47Å; V264-M442 HydrophobicContact CG2-SD 4.16Å; M268-M442 HydrophobicContact CB-SD 4.43Å; M268-M442 HydrophobicContact CG-CE 4.15Å; M268-M442 HydrophobicContact CG-CG 3.75Å; M268-M442 HydrophobicContact CG-SD 3.62Å; M268-M442 HydrophobicContact SD-CG 4.43Å; A427-M442 HydrophobicContact CB-CB 4.25Å; M439-M442 HydrophobicContact CE-CB 4.37Å; M439-M442 WeakPolarHBondContact O-CB 3.47Å; M439-M442 PolarHBondContact O-N 2.97Å; I440-M442 PolarHBondContact O-N 3.18Å; M442-L444 VanDerWaalsContact C-N 3.26Å; M442-L444 PolarHBondContact O-N 3.48Å; M442-Y445 HydrophobicContact CE-CD1 3.73Å; M442-Y445 HydrophobicContact CE-CG 3.92Å; M442-Y445 VanDerWaalsContact O-CB 3.31Å; M442-Y445 WeakPolarHBondContact O-CB 3.33Å; M442-Y445 PolarHBondContact O-N 3.28Å; M442-Y445 VanDerWaalsContact O-N 3.08Å; M442-Y445 HydrophobicContact SD-CG 4.45Å
443S91.8Very high90.3Very high2 Ų235 Ų351%0.01420%0.2CC..Hα-helixtrans-59-36174.8620000112.6I440 F441 Y445 S446 Y528 L532I440-S443 WeakPolarHBondContact O-CB 3.47Å; I440-S443 PolarHBondContact O-N 3.02Å; I440-S443 PolarHBondContact O-OG 3.24Å; F441-S443 PolarHBondContact O-N 3.48Å; S443-Y445 VanDerWaalsContact C-N 3.29Å; S443-Y445 PolarHBondContact O-N 2.83Å; S443-S446 WeakPolarHBondContact O-CB 3.22Å; S443-S446 PolarHBondContact O-N 2.98Å; S443-S446 PolarHBondContact O-OG 2.72Å; S443-Y528 WeakPolarHBondContact CB-OH 3.36Å; S443-Y528 PolarHBondContact OG-OH 3.37Å; S443-L532 WeakPolarHBondContact OG-CD1 3.24Å
444L90.5Very high90.6Very high24 Ų2433.5 Ų33.513%0.12619%0.192CC..Hα-helixtrans-65.4-29.4175.2-61.6177.2000113L261 F441 M442 S446 L447 W529 L532L261-L444 HydrophobicContact CD1-CB 4.47Å; L261-L444 HydrophobicContact CD2-CB 3.92Å; L261-L444 HydrophobicContact CD2-CD1 4.29Å; F441-L444 HydrophobicContact CB-CD1 4.38Å; F441-L444 HydrophobicContact CD1-CD1 3.77Å; F441-L444 WeakPolarHBondContact O-CB 3.07Å; F441-L444 PolarHBondContact O-N 3.27Å; F441-L444 VanDerWaalsContact O-N 3.1Å; M442-L444 VanDerWaalsContact C-N 3.26Å; M442-L444 PolarHBondContact O-N 3.48Å; L444-S446 PolarHBondContact O-N 3.08Å; L444-L447 WeakPolarHBondContact O-CB 3.4Å; L444-L447 PolarHBondContact O-N 2.76Å; L444-L447 VanDerWaalsContact O-N 3.16Å; L444-W529 HydrophobicContact CD2-CE3 3.94Å; L444-W529 HydrophobicContact CD2-CH2 4.15Å; L444-W529 HydrophobicContact CD2-CZ3 3.39Å; L444-L532 HydrophobicContact CD2-CB 3.99Å; L444-L532 HydrophobicContact CD2-CD1 3.4Å; L444-L532 VanDerWaalsContact CD2-CD1 3.4Å; L444-L532 HydrophobicContact CD2-CG 4.34Å; L444-L532 HydrophobicContact CG-CD1 3.89Å
445Y90Very high90.9Very high13 Ų1329.7 Ų29.75%0.05118%0.179CC..Hα-helixtrans-65-25.4179.5-169.7-87.7000112.1L261 R265 W353 M442 S443 L447 L448 Y449 L453L261-Y445 HydrophobicContact CB-CD2 4.39Å; R265-Y445 HydrophobicContact CB-CD1 4.46Å; R265-Y445 HydrophobicContact CB-CD2 3.71Å; R265-Y445 HydrophobicContact CB-CE1 4.29Å; R265-Y445 HydrophobicContact CB-CE2 3.49Å; R265-Y445 VanDerWaalsContact CB-CE2 3.49Å; R265-Y445 HydrophobicContact CB-CG 4.19Å; R265-Y445 VanDerWaalsContact CD-CE1 3.41Å; R265-Y445 HydrophobicContact CG-CD1 4.42Å; R265-Y445 HydrophobicContact CG-CD2 4.27Å; R265-Y445 HydrophobicContact CG-CE1 3.84Å; R265-Y445 HydrophobicContact CG-CE2 3.65Å; R265-Y445 WeakPolarHBondContact CG-OH 3.49Å; W353-Y445 HydrophobicContact CZ2-CE2 4.31Å; M442-Y445 HydrophobicContact CE-CD1 3.73Å; M442-Y445 HydrophobicContact CE-CG 3.92Å; M442-Y445 VanDerWaalsContact O-CB 3.31Å; M442-Y445 WeakPolarHBondContact O-CB 3.33Å; M442-Y445 PolarHBondContact O-N 3.28Å; M442-Y445 VanDerWaalsContact O-N 3.08Å; M442-Y445 HydrophobicContact SD-CG 4.45Å; S443-Y445 VanDerWaalsContact C-N 3.29Å; S443-Y445 PolarHBondContact O-N 2.83Å; Y445-L447 PolarHBondContact O-N 2.82Å; Y445-L448 HydrophobicContact CD2-CD1 4.18Å; Y445-L448 HydrophobicContact CE2-CD1 4.44Å; Y445-L448 WeakPolarHBondContact O-CB 3.37Å; Y445-L448 PolarHBondContact O-N 2.99Å; Y445-L448 VanDerWaalsContact O-N 3.17Å; Y445-Y449 PolarHBondContact O-N 3.46Å; Y445-L453 HydrophobicContact CE1-CD1 3.9Å; Y445-L453 WeakPolarHBondContact OH-CD1 3.45Å
446S87.4Confident91.2Very high24 Ų2426.3 Ų26.317%0.16814%0.144CC..Hα-helixtrans-58.5-36.7175.4-48.60000111.5S443 L444 Y449 M450S443-S446 WeakPolarHBondContact O-CB 3.22Å; S443-S446 PolarHBondContact O-N 2.98Å; S443-S446 PolarHBondContact O-OG 2.72Å; L444-S446 PolarHBondContact O-N 3.08Å; S446-Y449 WeakPolarHBondContact O-CB 3.41Å; S446-Y449 PolarHBondContact O-N 3.04Å; S446-M450 WeakPolarHBondContact O-CG 3.44Å; S446-M450 PolarHBondContact O-N 2.98Å
447L83.9Confident91.4Very high78 Ų7826.3 Ų26.341%0.40814%0.139SC..Hα-helixtrans-64.8-50174.7179.168.4000111.1L444 Y445 Y449 M450 S451 W529L444-L447 WeakPolarHBondContact O-CB 3.4Å; L444-L447 PolarHBondContact O-N 2.76Å; L444-L447 VanDerWaalsContact O-N 3.16Å; Y445-L447 PolarHBondContact O-N 2.82Å; L447-Y449 PolarHBondContact O-N 3.2Å; L447-M450 PolarHBondContact O-N 3.41Å; L447-S451 PolarHBondContact O-N 3.32Å; L447-S451 PolarHBondContact O-OG 3.49Å; L447-W529 HydrophobicContact CB-CH2 3.83Å; L447-W529 HydrophobicContact CB-CZ2 4.44Å; L447-W529 HydrophobicContact CD2-CH2 3.4Å; L447-W529 HydrophobicContact CD2-CZ2 4.01Å; L447-W529 HydrophobicContact CD2-CZ3 4.04Å; L447-W529 HydrophobicContact CG-CH2 4.11Å
448L89.6Confident91.7Very high11 Ų1122 Ų226%0.05812%0.116CC..Hα-helixtrans-56-36.6175.5-81.4-177.4000112.1W257 L261 Y350 W353 Y445 S452 L453W257-L448 HydrophobicContact CH2-CD2 3.82Å; W257-L448 HydrophobicContact CZ3-CD1 3.96Å; W257-L448 HydrophobicContact CZ3-CD2 3.78Å; W257-L448 HydrophobicContact CZ3-CG 4.15Å; L261-L448 HydrophobicContact CB-CD1 4.08Å; L261-L448 HydrophobicContact CD1-CD1 3.54Å; L261-L448 HydrophobicContact CD1-CG 4.25Å; L261-L448 HydrophobicContact CG-CD1 4.48Å; Y350-L448 HydrophobicContact CE2-CD2 4.34Å; W353-L448 HydrophobicContact CH2-CB 4.27Å; W353-L448 HydrophobicContact CH2-CD1 4.26Å; W353-L448 HydrophobicContact CH2-CD2 4.3Å; W353-L448 HydrophobicContact CZ2-CD1 4.38Å; W353-L448 HydrophobicContact CZ3-CD2 4.41Å; Y445-L448 HydrophobicContact CD2-CD1 4.18Å; Y445-L448 HydrophobicContact CE2-CD1 4.44Å; Y445-L448 WeakPolarHBondContact O-CB 3.37Å; Y445-L448 PolarHBondContact O-N 2.99Å; Y445-L448 VanDerWaalsContact O-N 3.17Å; L448-S452 WeakPolarHBondContact O-CA 3.46Å; L448-S452 VanDerWaalsContact O-CB 3.24Å; L448-S452 WeakPolarHBondContact O-CB 3.42Å; L448-S452 PolarHBondContact O-N 2.92Å; L448-L453 PolarHBondContact O-N 2.84Å; L448-L453 VanDerWaalsContact O-N 3.09Å
449Y91.4Very high91.8Very high43 Ų4322.7 Ų22.717%0.16912%0.117CC..Iπ-helixtrans-63.4-48.4175.6-173-88.2000111.4F392 L396 Y445 S446 L447 L453 L454 K457F392-Y449 HydrophobicContact CE1-CE1 4.43Å; L396-Y449 HydrophobicContact CD2-CD1 4.35Å; L396-Y449 HydrophobicContact CD2-CE1 3.76Å; Y445-Y449 PolarHBondContact O-N 3.46Å; S446-Y449 WeakPolarHBondContact O-CB 3.41Å; S446-Y449 PolarHBondContact O-N 3.04Å; L447-Y449 PolarHBondContact O-N 3.2Å; Y449-L453 HydrophobicContact CD2-CB 4.12Å; Y449-L453 HydrophobicContact CD2-CD1 3.91Å; Y449-L453 PolarHBondContact O-N 3.34Å; Y449-L454 HydrophobicContact CE1-CD1 4.41Å; Y449-L454 WeakPolarHBondContact O-CB 3.37Å; Y449-L454 PolarHBondContact O-N 3.09Å; Y449-K457 PolarHBondContact OH-NZ 2.9Å
450M89.8Confident91.8Very high28 Ų2822.7 Ų22.714%0.13812%0.117CC..Iπ-helixtrans-71-40.9-177.2-67.5-53.8-60.100113.9L396 V400 F415 V419 S446 L447 L454 W490L396-M450 HydrophobicContact CD1-CE 4.03Å; L396-M450 HydrophobicContact CD1-SD 4.16Å; L396-M450 HydrophobicContact CD2-CE 4.06Å; L396-M450 HydrophobicContact CD2-SD 3.49Å; L396-M450 WeakPolarHBondContact CD2-SD 3.4Å; L396-M450 HydrophobicContact CG-CE 3.89Å; L396-M450 HydrophobicContact CG-SD 3.99Å; V400-M450 HydrophobicContact CG2-CE 3.54Å; F415-M450 HydrophobicContact CE1-CE 3.96Å; F415-M450 HydrophobicContact CZ-CE 3.62Å; V419-M450 HydrophobicContact CG1-CG 4.25Å; S446-M450 WeakPolarHBondContact O-CG 3.44Å; S446-M450 PolarHBondContact O-N 2.98Å; L447-M450 PolarHBondContact O-N 3.41Å; M450-L454 HydrophobicContact CE-CD2 3.92Å; M450-L454 HydrophobicContact SD-CD2 4.41Å; M450-W490 PolarHBondContact O-NE1 3.38Å
451S90.9Very high91.7Very high43 Ų4323 Ų2330%0.30112%0.118SC..Iπ-helixtrans-85.7-35.8-175.561.90000112.8L447 P455L447-S451 PolarHBondContact O-N 3.32Å; L447-S451 PolarHBondContact O-OG 3.49Å; S451-P455 WeakPolarHBondContact O-CG 3.38Å
452S93Very high91.7Very high1 Ų130 Ų301%0.00716%0.156CC..Iπ-helixtrans-111.2-53.7-171.3-450000112.9Y350 L448 P455 A456Y350-S452 WeakPolarHBondContact CE2-OG 3.36Å; Y350-S452 WeakPolarHBondContact OH-CB 3.37Å; Y350-S452 PolarHBondContact OH-OG 3.42Å; L448-S452 WeakPolarHBondContact O-CA 3.46Å; L448-S452 VanDerWaalsContact O-CB 3.24Å; L448-S452 WeakPolarHBondContact O-CB 3.42Å; L448-S452 PolarHBondContact O-N 2.92Å; S452-P455 WeakPolarHBondContact O-CD 3.24Å; S452-P455 WeakPolarHBondContact O-CG 3.43Å; S452-A456 VanDerWaalsContact O-CB 3.22Å; S452-A456 WeakPolarHBondContact O-CB 3.28Å; S452-A456 PolarHBondContact O-N 2.84Å
453L93.6Very high91.5Very high8 Ų830 Ų304%0.04216%0.156CC..Iπ-helixtrans-77.3-37-169.1-59.8176.7000113.3W353 Q357 Y445 L448 Y449 A456 K457W353-L453 HydrophobicContact CH2-CD1 4.19Å; W353-L453 HydrophobicContact CH2-CD2 3.51Å; W353-L453 HydrophobicContact CH2-CG 3.8Å; W353-L453 HydrophobicContact CZ2-CD1 4.26Å; W353-L453 HydrophobicContact CZ2-CD2 3.86Å; W353-L453 HydrophobicContact CZ2-CG 4.3Å; W353-L453 HydrophobicContact CZ3-CD2 4.17Å; Q357-L453 HydrophobicContact CB-CD2 3.53Å; Q357-L453 HydrophobicContact CG-CD2 3.6Å; Y445-L453 HydrophobicContact CE1-CD1 3.9Å; Y445-L453 WeakPolarHBondContact OH-CD1 3.45Å; L448-L453 PolarHBondContact O-N 2.84Å; L448-L453 VanDerWaalsContact O-N 3.09Å; Y449-L453 HydrophobicContact CD2-CB 4.12Å; Y449-L453 HydrophobicContact CD2-CD1 3.91Å; Y449-L453 PolarHBondContact O-N 3.34Å; L453-A456 PolarHBondContact O-N 3.27Å; L453-K457 WeakPolarHBondContact O-CB 3.38Å; L453-K457 VanDerWaalsContact O-CG 3.31Å; L453-K457 WeakPolarHBondContact O-CG 3.24Å; L453-K457 PolarHBondContact O-N 2.89Å
454L94.5Very high91.3Very high0 Ų031.2 Ų31.20%016%0.162CC..Hα-helixtrans-58.9-53.7179.3-172.564000111.9P393 L396 V397 Y449 M450 A456 K457 M458 W490P393-L454 HydrophobicContact CB-CD1 3.98Å; L396-L454 HydrophobicContact CB-CD1 4.45Å; L396-L454 HydrophobicContact CB-CD2 4.47Å; L396-L454 HydrophobicContact CD2-CD1 4.14Å; L396-L454 HydrophobicContact CD2-CD2 4.03Å; L396-L454 HydrophobicContact CG-CD2 3.98Å; V397-L454 HydrophobicContact CG2-CD1 3.85Å; V397-L454 HydrophobicContact CG2-CD2 3.75Å; V397-L454 HydrophobicContact CG2-CG 3.62Å; Y449-L454 HydrophobicContact CE1-CD1 4.41Å; Y449-L454 WeakPolarHBondContact O-CB 3.37Å; Y449-L454 PolarHBondContact O-N 3.09Å; M450-L454 HydrophobicContact CE-CD2 3.92Å; M450-L454 HydrophobicContact SD-CD2 4.41Å; L454-A456 VanDerWaalsContact C-N 3.35Å; L454-A456 PolarHBondContact O-N 3.23Å; L454-K457 WeakPolarHBondContact O-CB 3.47Å; L454-K457 PolarHBondContact O-N 3.05Å; L454-M458 PolarHBondContact O-N 2.8Å; L454-W490 HydrophobicContact CD2-CH2 4.36Å; L454-W490 HydrophobicContact CD2-CZ2 3.98Å
455P95.4Very high90.9Very high8 Ų833.5 Ų33.55%0.05218%0.175CC..Hα-helixtrans-67.7-34175.427.8-36.4000112.8S451 S452 K457 M458 F459 P486 V487 W490S451-P455 WeakPolarHBondContact O-CG 3.38Å; S452-P455 WeakPolarHBondContact O-CD 3.24Å; S452-P455 WeakPolarHBondContact O-CG 3.43Å; P455-K457 VanDerWaalsContact C-N 3.29Å; P455-K457 PolarHBondContact O-N 3.49Å; P455-M458 PolarHBondContact O-N 3.18Å; P455-F459 WeakPolarHBondContact O-CB 3.19Å; P455-F459 PolarHBondContact O-N 2.86Å; P455-P486 HydrophobicContact CB-CB 4.29Å; P455-P486 WeakPolarHBondContact CB-O 3.31Å; P455-V487 HydrophobicContact CG-CG2 4.23Å; P455-W490 HydrophobicContact CB-CB 3.6Å; P455-W490 HydrophobicContact CB-CD2 4.24Å; P455-W490 HydrophobicContact CB-CG 3.78Å; P455-W490 HydrophobicContact CG-CB 3.83Å; P455-W490 HydrophobicContact CG-CD2 4.45Å; P455-W490 HydrophobicContact CG-CG 3.76Å
456A93.7Very high90.4Very high0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-61.8-35174.500000112.8L354 S452 L453 L454 A460L354-A456 HydrophobicContact CD1-CB 3.9Å; S452-A456 VanDerWaalsContact O-CB 3.22Å; S452-A456 WeakPolarHBondContact O-CB 3.28Å; S452-A456 PolarHBondContact O-N 2.84Å; L453-A456 PolarHBondContact O-N 3.27Å; L454-A456 VanDerWaalsContact C-N 3.35Å; L454-A456 PolarHBondContact O-N 3.23Å; A456-A460 WeakPolarHBondContact O-CB 3.46Å; A456-A460 PolarHBondContact O-N 3.43Å
457K94.3Very high89.3Confident39 Ų3940.1 Ų40.117%0.1721%0.21CC..Hα-helixtrans-65.4-45.9173.5-78.7177.4176.8-166.90111.7F365 P393 Y449 L453 L454 P455 F459 A460 L461F365-K457 HydrophobicContact CE2-CB 4.2Å; F365-K457 WeakPolarHBondContact CE2-O 3.4Å; F365-K457 HydrophobicContact CZ-CB 4.42Å; P393-K457 HydrophobicContact CB-CD 4.44Å; P393-K457 HydrophobicContact CG-CD 4.18Å; Y449-K457 PolarHBondContact OH-NZ 2.9Å; L453-K457 WeakPolarHBondContact O-CB 3.38Å; L453-K457 VanDerWaalsContact O-CG 3.31Å; L453-K457 WeakPolarHBondContact O-CG 3.24Å; L453-K457 PolarHBondContact O-N 2.89Å; L454-K457 WeakPolarHBondContact O-CB 3.47Å; L454-K457 PolarHBondContact O-N 3.05Å; P455-K457 VanDerWaalsContact C-N 3.29Å; P455-K457 PolarHBondContact O-N 3.49Å; K457-F459 VanDerWaalsContact C-N 3.33Å; K457-F459 PolarHBondContact O-N 3.4Å; K457-A460 WeakPolarHBondContact O-CB 3.46Å; K457-A460 PolarHBondContact O-N 3.48Å; K457-L461 PolarHBondContact O-N 2.95Å
458M94.8Very high88Confident46 Ų4639.9 Ų39.923%0.22723%0.226CC..Hα-helixtrans-61.5-45177.2-64.9-55.4-132.600111.1F394 V397 L454 P455 A460 L461 L462F394-M458 HydrophobicContact CD1-CE 3.68Å; F394-M458 HydrophobicContact CD1-SD 4.1Å; F394-M458 HydrophobicContact CE1-CE 4.19Å; F394-M458 HydrophobicContact CE1-SD 4.04Å; F394-M458 HydrophobicContact CG-CE 4.39Å; V397-M458 HydrophobicContact CB-CE 3.74Å; V397-M458 HydrophobicContact CG1-CE 3.92Å; V397-M458 HydrophobicContact CG2-CE 3.61Å; V397-M458 HydrophobicContact CG2-CG 4.11Å; L454-M458 PolarHBondContact O-N 2.8Å; P455-M458 PolarHBondContact O-N 3.18Å; M458-A460 PolarHBondContact O-N 3.05Å; M458-L461 WeakPolarHBondContact O-CB 3.38Å; M458-L461 PolarHBondContact O-N 3.23Å; M458-L462 WeakPolarHBondContact O-CG 3.43Å; M458-L462 PolarHBondContact O-N 3.32Å
459F93.3Very high86.2Confident40 Ų4042.5 Ų42.518%0.17524%0.236CC..Hα-helixtrans-63.8-39.1175.2-177.7-104.6000113.2T358 P455 K457 L461 L462 T463 I482 P486T358-F459 HydrophobicContact CG2-CD1 4.04Å; P455-F459 WeakPolarHBondContact O-CB 3.19Å; P455-F459 PolarHBondContact O-N 2.86Å; K457-F459 VanDerWaalsContact C-N 3.33Å; K457-F459 PolarHBondContact O-N 3.4Å; F459-L461 VanDerWaalsContact C-N 3.31Å; F459-L461 PolarHBondContact O-N 3.16Å; F459-L462 PolarHBondContact O-N 2.74Å; F459-T463 HydrophobicContact CD2-CG2 4.22Å; F459-T463 HydrophobicContact CE1-CG2 4.31Å; F459-T463 HydrophobicContact CE2-CG2 3.79Å; F459-T463 HydrophobicContact CZ-CG2 3.84Å; F459-T463 WeakPolarHBondContact O-CB 3.43Å; F459-T463 PolarHBondContact O-N 3.01Å; F459-T463 PolarHBondContact O-OG1 3.45Å; F459-I482 HydrophobicContact CE1-CG2 3.79Å; F459-I482 HydrophobicContact CZ-CG2 3.6Å; F459-P486 HydrophobicContact CB-CB 3.59Å; F459-P486 HydrophobicContact CB-CG 3.88Å; F459-P486 HydrophobicContact CD1-CG 4.03Å; F459-P486 HydrophobicContact CD2-CB 4.3Å; F459-P486 HydrophobicContact CD2-CG 4.47Å; F459-P486 HydrophobicContact CG-CB 3.92Å; F459-P486 HydrophobicContact CG-CG 3.87Å
460A91.9Very high84.3Confident0 Ų043 Ų430%025%0.254CS..Hα-helixtrans-60.4-42.1174.900000111.6T358 K362 A456 K457 M458 T463 I464T358-A460 HydrophobicContact CG2-CB 4.17Å; K362-A460 HydrophobicContact CG-CB 3.62Å; A456-A460 WeakPolarHBondContact O-CB 3.46Å; A456-A460 PolarHBondContact O-N 3.43Å; K457-A460 WeakPolarHBondContact O-CB 3.46Å; K457-A460 PolarHBondContact O-N 3.48Å; M458-A460 PolarHBondContact O-N 3.05Å; A460-T463 CarbonylContact O-C 3.43Å; A460-T463 PolarHBondContact O-N 3.05Å; A460-I464 VanDerWaalsContact O-CA 3.27Å; A460-I464 WeakPolarHBondContact O-CA 3.43Å; A460-I464 PolarHBondContact O-N 3.04Å
461L92.2Very high82.5Confident57 Ų5745.4 Ų45.430%0.29827%0.27SS..Hα-helixtrans-64.3-49.1176.2-175.968.2000111.7F365 F394 K457 M458 F459 T463 I464F365-L461 HydrophobicContact CB-CD1 4.08Å; F365-L461 HydrophobicContact CD1-CD1 4.07Å; F365-L461 HydrophobicContact CD2-CB 4.08Å; F365-L461 HydrophobicContact CD2-CD1 4.16Å; F365-L461 HydrophobicContact CE2-CB 4.07Å; F365-L461 HydrophobicContact CG-CD1 3.85Å; F394-L461 HydrophobicContact CE1-CD2 3.74Å; F394-L461 HydrophobicContact CZ-CD2 3.59Å; K457-L461 PolarHBondContact O-N 2.95Å; M458-L461 WeakPolarHBondContact O-CB 3.38Å; M458-L461 PolarHBondContact O-N 3.23Å; F459-L461 VanDerWaalsContact C-N 3.31Å; F459-L461 PolarHBondContact O-N 3.16Å; L461-T463 PolarHBondContact O-N 3.07Å; L461-I464 WeakPolarHBondContact O-CB 3.3Å; L461-I464 WeakPolarHBondContact O-CG2 3.35Å; L461-I464 PolarHBondContact O-N 2.98Å
462L91.5Very high80.7Confident149 Ų14945.1 Ų45.178%0.7827%0.268SS*.Hα-helixtrans-62.1-26.2178.4-67173.9000112.9M458 F459M458-L462 WeakPolarHBondContact O-CG 3.43Å; M458-L462 PolarHBondContact O-N 3.32Å; F459-L462 PolarHBondContact O-N 2.74Å
463T88.9Confident78.8Confident16 Ų1645.6 Ų45.610%0.09827%0.274CS..THydrogen-bonded Turntrans-114.424-178.265.70000113.2K362 F459 A460 L461 N465 K466K362-T463 WeakPolarHBondContact CE-O 3.22Å; K362-T463 WeakPolarHBondContact CE-OG1 3.22Å; K362-T463 PolarHBondContact NZ-O 3.01Å; K362-T463 PolarHBondContact NZ-OG1 3.38Å; F459-T463 HydrophobicContact CD2-CG2 4.22Å; F459-T463 HydrophobicContact CE1-CG2 4.31Å; F459-T463 HydrophobicContact CE2-CG2 3.79Å; F459-T463 HydrophobicContact CZ-CG2 3.84Å; F459-T463 WeakPolarHBondContact O-CB 3.43Å; F459-T463 PolarHBondContact O-N 3.01Å; F459-T463 PolarHBondContact O-OG1 3.45Å; A460-T463 CarbonylContact O-C 3.43Å; A460-T463 PolarHBondContact O-N 3.05Å; L461-T463 PolarHBondContact O-N 3.07Å; T463-N465 PolarHBondContact O-N 3.39Å; T463-K466 PolarHBondContact O-N 3.16Å
464I87Confident77Confident27 Ų2748.6 Ų48.614%0.13828%0.284CS..THydrogen-bonded Turntrans-58.4-33.8-171.6-167.4169000113.3F310 F365 R366 A460 L461F310-I464 HydrophobicContact CE1-CD1 3.9Å; F310-I464 HydrophobicContact CE1-CG1 3.95Å; F310-I464 HydrophobicContact CE1-CG2 4.02Å; F310-I464 HydrophobicContact CZ-CD1 4.03Å; F365-I464 HydrophobicContact CB-CD1 3.83Å; R366-I464 HydrophobicContact CB-CD1 4.13Å; A460-I464 VanDerWaalsContact O-CA 3.27Å; A460-I464 WeakPolarHBondContact O-CA 3.43Å; A460-I464 PolarHBondContact O-N 3.04Å; L461-I464 WeakPolarHBondContact O-CB 3.3Å; L461-I464 WeakPolarHBondContact O-CG2 3.35Å; L461-I464 PolarHBondContact O-N 2.98Å
465N82.6Confident74.9Confident72 Ų7256.1 Ų56.139%0.38531%0.313SS..THydrogen-bonded Turntrans-84.9-6.2-178.9-156.919.9000113.8F310 L311 T463 A467F310-N465 PolarHBondContact O-OD1 2.83Å; L311-N465 HydrophobicContact CD1-CB 4.44Å; T463-N465 PolarHBondContact O-N 3.39Å; N465-A467 PolarHBondContact O-N 3.34Å
466K78.9Confident72.9Confident125 Ų12561.6 Ų61.654%0.54334%0.336SS..  trans-84.3117.2179.3-65.7-168.5176.8-176.30110.3T463 W469T463-K466 PolarHBondContact O-N 3.16Å; K466-W469 VanDerWaalsContact CB-NE1 3.34Å; K466-W469 VanDerWaalsContact O-CD1 3.31Å
467A64Low71.1Confident51 Ų5166.1 Ų66.142%0.42136%0.359SS..  trans-89-17.9-176.900000115.4N465 W469N465-A467 PolarHBondContact O-N 3.34Å; A467-W469 PolarHBondContact O-N 2.89Å
468G56.2Low69.3Low73 Ų7369 Ų6975%0.75338%0.38SS*.  trans-72.311.5-17000000117.4
469W53Low67.7Low67 Ų6772 Ų7225%0.25440%0.4SS..  trans-101.829-173.7-52.195000112.7K466 A467 I482K466-W469 VanDerWaalsContact CB-NE1 3.34Å; K466-W469 VanDerWaalsContact O-CD1 3.31Å; A467-W469 PolarHBondContact O-N 2.89Å; W469-I482 HydrophobicContact CE3-CB 3.99Å; W469-I482 HydrophobicContact CE3-CG2 3.93Å; W469-I482 HydrophobicContact CH2-CB 3.6Å; W469-I482 HydrophobicContact CH2-CD1 3.51Å; W469-I482 HydrophobicContact CH2-CG1 3.38Å; W469-I482 HydrophobicContact CH2-CG2 3.41Å; W469-I482 VanDerWaalsContact CH2-CG2 3.41Å; W469-I482 HydrophobicContact CZ2-CG2 4.02Å; W469-I482 HydrophobicContact CZ3-CB 3.2Å; W469-I482 HydrophobicContact CZ3-CD1 3.31Å; W469-I482 HydrophobicContact CZ3-CG1 3.37Å; W469-I482 HydrophobicContact CZ3-CG2 3.35Å
470G50.4Low66.7Low54 Ų5471.9 Ų71.956%0.55740%0.402SS*.PPolyproline II helixtrans-57.3147178.300000111.7S472G470-S472 PolarHBondContact O-N 3.38Å
471T53Low66.2Low78 Ų7877.5 Ų77.548%0.47943%0.431SS..PPolyproline II helixtrans-69.7124.2167.941.30000108
472S53.4Low65.7Low36 Ų3677.8 Ų77.825%0.25243%0.432SS..PPolyproline II helixtrans-57.2147.5171.6450000110.4G470 K476 V478G470-S472 PolarHBondContact O-N 3.38Å; S472-K476 VanDerWaalsContact CB-O 3.31Å; S472-K476 WeakPolarHBondContact CB-O 3.41Å; S472-V478 PolarHBondContact OG-N 3.43Å
473G51.3Low65.2Low12 Ų1270.7 Ų70.712%0.12440%0.395CS..PPolyproline II helixtrans-54.5146.1175.300000110.6R475 K476G473-R475 PolarHBondContact O-N 2.9Å; G473-R475 VanDerWaalsContact O-N 3.12Å; G473-K476 CarbonylContact O-C 3.03Å; G473-K476 PolarHBondContact O-N 3.24Å
474R56.7Low65.2Low71 Ų7171.4 Ų71.427%0.26840%0.402SS..THydrogen-bonded Turntrans-63.2-25.4-171-61.5-179.9-167.4-120.1-13.4112.6Q91 E92 D220 E345Q91-R474 PolarHBondContact O-N 3.42Å; E92-R474 WeakPolarHBondContact OE2-CD 3.45Å; E92-R474 IonicContact OE2-NE 3.37Å; E92-R474 PolarHBondContact OE2-NE 3.5Å; E92-R474 VanDerWaalsContact OE2-NE 3.08Å; D220-R474 IonicContact OD2-CZ 3.08Å; D220-R474 IonicContact OD2-NH1 3.67Å; D220-R474 PolarHBondContact OD2-NH1 3.22Å; D220-R474 IonicContact OD2-NH2 3.76Å; D220-R474 PolarHBondContact OD2-NH2 2.93Å; E345-R474 VanDerWaalsContact CD-NH1 3.32Å; E345-R474 IonicContact OE2-CZ 3.34Å; E345-R474 IonicContact OE2-NH1 3.45Å; E345-R474 PolarHBondContact OE2-NH1 2.93Å; E345-R474 IonicContact OE2-NH2 2.61Å
475R49.8Very low65.3Low158 Ų15873.6 Ų73.660%0.59642%0.417SS*.THydrogen-bonded Turntrans-74.3-23.9175.6-161.6175.3-179.2-176.51.3114.8Q91 E124 G473Q91-R475 HydrophobicContact CB-CB 4.4Å; Q91-R475 PolarHBondContact O-N 3.42Å; E124-R475 PolarHBondContact O-NH1 2.92Å; G473-R475 PolarHBondContact O-N 2.9Å; G473-R475 VanDerWaalsContact O-N 3.12Å
476K53.2Low65.8Low122 Ų12270.8 Ų70.853%0.5340%0.403SS..SBendtrans-125.790.7178.7-72.9-178-176.9170.10110S472 G473 V478S472-K476 VanDerWaalsContact CB-O 3.31Å; S472-K476 WeakPolarHBondContact CB-O 3.41Å; G473-K476 CarbonylContact O-C 3.03Å; G473-K476 PolarHBondContact O-N 3.24Å; K476-V478 PolarHBondContact O-N 3.32Å
477I56.3Low66.6Low95 Ų9566 Ų6649%0.48738%0.384SS..  trans-74100.5179.4-56.6175.5000109.6
478V56.7Low68Low101 Ų10167.2 Ų67.261%0.61239%0.386SS*.  trans-89.3118.5167.5-174.50000109S472 K476 N480S472-V478 PolarHBondContact OG-N 3.43Å; K476-V478 PolarHBondContact O-N 3.32Å; V478-N480 PolarHBondContact O-N 2.95Å
479V61.6Low69.9Low107 Ų10767.7 Ų67.765%0.64837%0.374SS*.  trans-72.8111.5176.4-176.50000108.8L351 L481L351-V479 HydrophobicContact CD2-CG1 3.92Å; V479-L481 HydrophobicContact CG1-CD2 4.41Å; V479-L481 HydrophobicContact CG1-CG 4.33Å
480N71.6Confident72Confident39 Ų3965.7 Ų65.721%0.20937%0.367CS..  trans-105.3106.9175-172.1-20.3000109.8N355 V478 I482N355-N480 PolarHBondContact ND2-O 3.47Å; V478-N480 PolarHBondContact O-N 2.95Å; N480-I482 VanDerWaalsContact C-N 3.33Å; N480-I482 WeakPolarHBondContact OD1-CB 3.36Å; N480-I482 WeakPolarHBondContact OD1-CD1 3.43Å; N480-I482 PolarHBondContact OD1-N 3.17Å
481L82.5Confident74.1Confident117 Ų11765.1 Ų65.161%0.61336%0.357SS*.G310 helixtrans-80.6-9.4-178.1-71.5167.8000113.8L351 V479 G483 A484L351-L481 HydrophobicContact CD2-CD2 3.73Å; L351-L481 HydrophobicContact CD2-CG 4.5Å; V479-L481 HydrophobicContact CG1-CD2 4.41Å; V479-L481 HydrophobicContact CG1-CG 4.33Å; L481-G483 PolarHBondContact O-N 3.02Å; L481-A484 WeakPolarHBondContact O-CB 3.49Å; L481-A484 PolarHBondContact O-N 3.27Å
482I80.8Confident76.2Confident63 Ų6366.7 Ų66.732%0.32336%0.362SS..G310 helixtrans-61.8-30-177.2-75.6101.8000112.2F459 W469 N480 A484 V485 P486F459-I482 HydrophobicContact CE1-CG2 3.79Å; F459-I482 HydrophobicContact CZ-CG2 3.6Å; W469-I482 HydrophobicContact CE3-CB 3.99Å; W469-I482 HydrophobicContact CE3-CG2 3.93Å; W469-I482 HydrophobicContact CH2-CB 3.6Å; W469-I482 HydrophobicContact CH2-CD1 3.51Å; W469-I482 HydrophobicContact CH2-CG1 3.38Å; W469-I482 HydrophobicContact CH2-CG2 3.41Å; W469-I482 VanDerWaalsContact CH2-CG2 3.41Å; W469-I482 HydrophobicContact CZ2-CG2 4.02Å; W469-I482 HydrophobicContact CZ3-CB 3.2Å; W469-I482 HydrophobicContact CZ3-CD1 3.31Å; W469-I482 HydrophobicContact CZ3-CG1 3.37Å; W469-I482 HydrophobicContact CZ3-CG2 3.35Å; N480-I482 VanDerWaalsContact C-N 3.33Å; N480-I482 WeakPolarHBondContact OD1-CB 3.36Å; N480-I482 WeakPolarHBondContact OD1-CD1 3.43Å; N480-I482 PolarHBondContact OD1-N 3.17Å; I482-A484 PolarHBondContact O-N 3.29Å; I482-V485 WeakPolarHBondContact O-CB 3.33Å; I482-V485 PolarHBondContact O-N 2.82Å; I482-P486 VanDerWaalsContact O-CD 3.29Å; I482-P486 WeakPolarHBondContact O-CD 3.45Å
483G81Confident78.2Confident1 Ų167.4 Ų67.41%0.0136%0.364CS..G310 helixtrans-58.7-28.1172.500000114.1L354 N355 L481 P486L354-G483 WeakPolarHBondContact CD2-O 3.41Å; N355-G483 WeakPolarHBondContact OD1-CA 3.34Å; N355-G483 PolarHBondContact OD1-N 3.05Å; L481-G483 PolarHBondContact O-N 3.02Å; G483-P486 WeakPolarHBondContact O-CD 3.43Å; G483-P486 WeakPolarHBondContact O-CG 3.4Å
484A88.6Confident80.3Confident30 Ų3068.3 Ų68.325%0.24837%0.366CS..Hα-helixtrans-76.7-30.1179.400000113.1L351 L481 I482 V487 T488L351-A484 HydrophobicContact CD1-CB 4.03Å; L481-A484 WeakPolarHBondContact O-CB 3.49Å; L481-A484 PolarHBondContact O-N 3.27Å; I482-A484 PolarHBondContact O-N 3.29Å; A484-V487 PolarHBondContact O-N 3.18Å; A484-V487 VanDerWaalsContact O-N 3.08Å; A484-T488 PolarHBondContact O-N 3.42Å; A484-T488 PolarHBondContact O-OG1 3.47Å
485V90.8Very high82.1Confident74 Ų7470.5 Ų70.545%0.44838%0.383SS..Hα-helixtrans-49-54.1-178175.80000113.1I482 V487 T488 V489I482-V485 WeakPolarHBondContact O-CB 3.33Å; I482-V485 PolarHBondContact O-N 2.82Å; V485-V487 VanDerWaalsContact C-N 3.28Å; V485-V487 PolarHBondContact O-N 3.3Å; V485-T488 PolarHBondContact O-N 3.24Å; V485-V489 HydrophobicContact CG1-CG2 4.42Å; V485-V489 WeakPolarHBondContact O-CG2 3.47Å; V485-V489 PolarHBondContact O-N 3.06Å
486P92.9Very high84.3Confident12 Ų1264.6 Ų64.68%0.07837%0.37CS..Hα-helixtrans-64.9-32-178.426.3-36.7000113.5P455 F459 I482 G483 W490P455-P486 HydrophobicContact CB-CB 4.29Å; P455-P486 WeakPolarHBondContact CB-O 3.31Å; F459-P486 HydrophobicContact CB-CB 3.59Å; F459-P486 HydrophobicContact CB-CG 3.88Å; F459-P486 HydrophobicContact CD1-CG 4.03Å; F459-P486 HydrophobicContact CD2-CB 4.3Å; F459-P486 HydrophobicContact CD2-CG 4.47Å; F459-P486 HydrophobicContact CG-CB 3.92Å; F459-P486 HydrophobicContact CG-CG 3.87Å; I482-P486 VanDerWaalsContact O-CD 3.29Å; I482-P486 WeakPolarHBondContact O-CD 3.45Å; G483-P486 WeakPolarHBondContact O-CD 3.43Å; G483-P486 WeakPolarHBondContact O-CG 3.4Å; P486-W490 WeakPolarHBondContact O-CB 3.17Å; P486-W490 PolarHBondContact O-N 3.42Å
487V94.4Very high86.3Confident25 Ų2558.8 Ų58.815%0.15235%0.345CS..Hα-helixtrans-70.9-41.3177.2177.80000110.7L354 P455 A484 V485 W490 A491L354-V487 HydrophobicContact CD1-CG2 4.29Å; L354-V487 HydrophobicContact CD2-CG2 3.64Å; P455-V487 HydrophobicContact CG-CG2 4.23Å; A484-V487 PolarHBondContact O-N 3.18Å; A484-V487 VanDerWaalsContact O-N 3.08Å; V485-V487 VanDerWaalsContact C-N 3.28Å; V485-V487 PolarHBondContact O-N 3.3Å; V487-W490 PolarHBondContact O-N 2.9Å; V487-A491 WeakPolarHBondContact O-CB 3.37Å; V487-A491 PolarHBondContact O-N 3.36Å
488T94.7Very high88Confident77 Ų7756.6 Ų56.647%0.47234%0.336SS..Hα-helixtrans-64.6-46.6176.5-56.80000111.5A484 V485 W490 A491 L492A484-T488 PolarHBondContact O-N 3.42Å; A484-T488 PolarHBondContact O-OG1 3.47Å; V485-T488 PolarHBondContact O-N 3.24Å; T488-W490 VanDerWaalsContact C-N 3.32Å; T488-W490 PolarHBondContact O-N 3.49Å; T488-A491 PolarHBondContact O-N 2.88Å; T488-L492 HydrophobicContact CG2-CD1 4.2Å; T488-L492 WeakPolarHBondContact O-CG 3.25Å; T488-L492 PolarHBondContact O-N 3.4Å
489V95.5Very high89.8Confident82 Ų8254.6 Ų54.650%0.49733%0.331SS..Hα-helixtrans-59.6-45.3176.1172.50000110.6V485 A491 L492 V493V485-V489 HydrophobicContact CG1-CG2 4.42Å; V485-V489 WeakPolarHBondContact O-CG2 3.47Å; V485-V489 PolarHBondContact O-N 3.06Å; V489-A491 PolarHBondContact O-N 3.03Å; V489-L492 PolarHBondContact O-N 3.46Å; V489-V493 HydrophobicContact CG1-CG2 4.5Å; V489-V493 WeakPolarHBondContact O-CG2 3.37Å; V489-V493 PolarHBondContact O-N 3.2Å
490W96.1Very high91.3Very high25 Ų2555.2 Ų55.210%0.09532%0.322CS..Hα-helixtrans-59.3-47.6176.7-177.4-116.1000112.3V397 V400 I401 M450 L454 P455 P486 V487 T488 L492 V493 L494V397-W490 HydrophobicContact CB-CH2 4.49Å; V397-W490 HydrophobicContact CG1-CH2 4.26Å; V397-W490 HydrophobicContact CG1-CZ3 4.08Å; V397-W490 HydrophobicContact CG2-CH2 4.17Å; V397-W490 HydrophobicContact CG2-CZ3 4.38Å; V400-W490 HydrophobicContact CB-CH2 4.05Å; V400-W490 HydrophobicContact CB-CZ2 4.2Å; V400-W490 HydrophobicContact CG1-CH2 3.85Å; V400-W490 HydrophobicContact CG1-CZ2 3.75Å; I401-W490 HydrophobicContact CD1-CH2 4.29Å; I401-W490 HydrophobicContact CD1-CZ3 3.91Å; I401-W490 HydrophobicContact CG1-CH2 4.49Å; I401-W490 HydrophobicContact CG1-CZ3 4.29Å; M450-W490 PolarHBondContact O-NE1 3.38Å; L454-W490 HydrophobicContact CD2-CH2 4.36Å; L454-W490 HydrophobicContact CD2-CZ2 3.98Å; P455-W490 HydrophobicContact CB-CB 3.6Å; P455-W490 HydrophobicContact CB-CD2 4.24Å; P455-W490 HydrophobicContact CB-CG 3.78Å; P455-W490 HydrophobicContact CG-CB 3.83Å; P455-W490 HydrophobicContact CG-CD2 4.45Å; P455-W490 HydrophobicContact CG-CG 3.76Å; P486-W490 WeakPolarHBondContact O-CB 3.17Å; P486-W490 PolarHBondContact O-N 3.42Å; V487-W490 PolarHBondContact O-N 2.9Å; T488-W490 VanDerWaalsContact C-N 3.32Å; T488-W490 PolarHBondContact O-N 3.49Å; W490-L492 VanDerWaalsContact C-N 3.35Å; W490-L492 PolarHBondContact O-N 2.87Å; W490-V493 PolarHBondContact O-N 3.19Å; W490-L494 HydrophobicContact CD2-CD1 4.38Å; W490-L494 HydrophobicContact CD2-CG 4.37Å; W490-L494 HydrophobicContact CH2-CD2 4.31Å; W490-L494 HydrophobicContact CZ2-CD1 4.13Å; W490-L494 HydrophobicContact CZ2-CD2 4.11Å; W490-L494 HydrophobicContact CZ2-CG 4.43Å; W490-L494 WeakPolarHBondContact O-CG 3.09Å; W490-L494 PolarHBondContact O-N 2.98Å
491A95.6Very high92.2Very high42 Ų4253.6 Ų53.635%0.34731%0.314SS..Hα-helixtrans-60-43.4177.500000112.2V487 T488 V489 L494 L495V487-A491 WeakPolarHBondContact O-CB 3.37Å; V487-A491 PolarHBondContact O-N 3.36Å; T488-A491 PolarHBondContact O-N 2.88Å; V489-A491 PolarHBondContact O-N 3.03Å; A491-L494 PolarHBondContact O-N 3.03Å; A491-L495 WeakPolarHBondContact O-CB 3.44Å; A491-L495 VanDerWaalsContact O-CG 3.25Å; A491-L495 WeakPolarHBondContact O-CG 3.22Å; A491-L495 PolarHBondContact O-N 2.9Å
492L96.8Very high92.5Very high112 Ų11250.8 Ų50.859%0.58630%0.301SS*.Hα-helixtrans-63.4-41.6177.6-70173000112.4T488 V489 W490 L495 G496T488-L492 HydrophobicContact CG2-CD1 4.2Å; T488-L492 WeakPolarHBondContact O-CG 3.25Å; T488-L492 PolarHBondContact O-N 3.4Å; V489-L492 PolarHBondContact O-N 3.46Å; W490-L492 VanDerWaalsContact C-N 3.35Å; W490-L492 PolarHBondContact O-N 2.87Å; L492-L495 PolarHBondContact O-N 3.27Å; L492-G496 PolarHBondContact O-N 3.47Å
493V96.1Very high93Very high50 Ų5054.8 Ų54.830%0.30331%0.313SS..Hα-helixtrans-62.9-45.8175.6170.90000110.7I401 Y405 V489 W490 G496 G497I401-V493 HydrophobicContact CD1-CG1 3.47Å; I401-V493 VanDerWaalsContact CD1-CG1 3.47Å; Y405-V493 HydrophobicContact CE2-CG1 4.08Å; Y405-V493 PolarHBondContact OH-O 3.17Å; V489-V493 HydrophobicContact CG1-CG2 4.5Å; V489-V493 WeakPolarHBondContact O-CG2 3.37Å; V489-V493 PolarHBondContact O-N 3.2Å; W490-V493 PolarHBondContact O-N 3.19Å; V493-G496 PolarHBondContact O-N 3.07Å; V493-G497 PolarHBondContact O-N 3.28Å
494L94.9Very high93.3Very high32 Ų3257.1 Ų57.117%0.16833%0.329CS..Hα-helixtrans-65.7-42.5178.5-64.2-172.3000112.3V400 I401 F404 W490 A491 G496 G497 V498V400-L494 HydrophobicContact CG1-CD1 4.46Å; V400-L494 HydrophobicContact CG1-CD2 3.36Å; I401-L494 HydrophobicContact CD1-CD2 4.47Å; F404-L494 HydrophobicContact CD1-CB 4.02Å; F404-L494 HydrophobicContact CD1-CD2 3.85Å; F404-L494 HydrophobicContact CD1-CG 4.47Å; F404-L494 WeakPolarHBondContact CD1-O 3.47Å; F404-L494 HydrophobicContact CE1-CB 3.84Å; F404-L494 HydrophobicContact CE1-CD1 4.43Å; F404-L494 HydrophobicContact CE1-CD2 3.99Å; F404-L494 HydrophobicContact CE1-CG 4.28Å; F404-L494 HydrophobicContact CG-CD2 4.14Å; F404-L494 HydrophobicContact CZ-CD2 4.37Å; W490-L494 HydrophobicContact CD2-CD1 4.38Å; W490-L494 HydrophobicContact CD2-CG 4.37Å; W490-L494 HydrophobicContact CH2-CD2 4.31Å; W490-L494 HydrophobicContact CZ2-CD1 4.13Å; W490-L494 HydrophobicContact CZ2-CD2 4.11Å; W490-L494 HydrophobicContact CZ2-CG 4.43Å; W490-L494 WeakPolarHBondContact O-CG 3.09Å; W490-L494 PolarHBondContact O-N 2.98Å; A491-L494 PolarHBondContact O-N 3.03Å; L494-G496 VanDerWaalsContact C-N 3.33Å; L494-G496 PolarHBondContact O-N 3.2Å; L494-G497 PolarHBondContact O-N 3.31Å; L494-V498 WeakPolarHBondContact O-CG2 3.5Å; L494-V498 PolarHBondContact O-N 2.97Å
495L95.2Very high93.2Very high117 Ų11756.9 Ų56.961%0.61332%0.322SS*.Hα-helixtrans-62.9-40.6176.2-72.9171.3000111.6A491 L492 V498 A499A491-L495 WeakPolarHBondContact O-CB 3.44Å; A491-L495 VanDerWaalsContact O-CG 3.25Å; A491-L495 WeakPolarHBondContact O-CG 3.22Å; A491-L495 PolarHBondContact O-N 2.9Å; L492-L495 PolarHBondContact O-N 3.27Å; L495-V498 PolarHBondContact O-N 2.92Å; L495-A499 WeakPolarHBondContact O-CB 3.27Å; L495-A499 PolarHBondContact O-N 3.24Å
496G95.8Very high92.9Very high33 Ų3357.7 Ų57.734%0.3433%0.328SS..Hα-helixtrans-61.1-42.6173.400000112.6L492 V493 L494 A499 Y500L492-G496 PolarHBondContact O-N 3.47Å; V493-G496 PolarHBondContact O-N 3.07Å; L494-G496 VanDerWaalsContact C-N 3.33Å; L494-G496 PolarHBondContact O-N 3.2Å; G496-A499 PolarHBondContact O-N 3.2Å; G496-Y500 VanDerWaalsContact O-CB 3.31Å; G496-Y500 WeakPolarHBondContact O-CB 3.32Å; G496-Y500 PolarHBondContact O-N 2.96Å
497G94.1Very high92.5Very high0 Ų063.5 Ų63.50%035%0.354CS..Hα-helixtrans-63.3-46174.900000112.9F404 V493 L494 A499 Y500 T501F404-G497 CarbonylContact O-C 3.57Å; F404-G497 WeakPolarHBondContact O-CA 3.27Å; V493-G497 PolarHBondContact O-N 3.28Å; L494-G497 PolarHBondContact O-N 3.31Å; G497-A499 PolarHBondContact O-N 3.47Å; G497-Y500 PolarHBondContact O-N 2.89Å; G497-T501 WeakPolarHBondContact O-CB 3.3Å; G497-T501 PolarHBondContact O-N 2.9Å; G497-T501 PolarHBondContact O-OG1 3.28Å
498V93.3Very high91.7Very high49 Ų4968.6 Ų68.630%0.29738%0.376SS..Hα-helixtrans-59.3-49.1175.1173.80000110.6F404 I412 L494 L495 Y500 T501 V502F404-V498 HydrophobicContact CD1-CG2 3.68Å; F404-V498 HydrophobicContact CE1-CG2 3.56Å; I412-V498 HydrophobicContact CD1-CG2 4.36Å; L494-V498 WeakPolarHBondContact O-CG2 3.5Å; L494-V498 PolarHBondContact O-N 2.97Å; L495-V498 PolarHBondContact O-N 2.92Å; V498-Y500 VanDerWaalsContact C-N 3.32Å; V498-Y500 PolarHBondContact O-N 2.71Å; V498-T501 PolarHBondContact O-N 2.73Å; V498-V502 HydrophobicContact CG1-CG2 4.24Å; V498-V502 VanDerWaalsContact O-CG2 3.28Å; V498-V502 WeakPolarHBondContact O-CG2 3.43Å; V498-V502 PolarHBondContact O-N 3.45Å
499A93.6Very high90.6Very high60 Ų6071 Ų7150%0.49639%0.393SS..Hα-helixtrans-60.3-41.5179.300000112.2L495 G496 G497 Y503L495-A499 WeakPolarHBondContact O-CB 3.27Å; L495-A499 PolarHBondContact O-N 3.24Å; G496-A499 PolarHBondContact O-N 3.2Å; G497-A499 PolarHBondContact O-N 3.47Å; A499-Y503 WeakPolarHBondContact O-CB 3.38Å; A499-Y503 PolarHBondContact O-N 3.23Å
500Y92.4Very high89.7Confident120 Ų12070.2 Ų70.247%0.47138%0.383SS..Hα-helixtrans-62.6-46.5175178.5-102.6000112Y405 G496 G497 V498 Y503 C504Y405-Y500 HydrophobicContact CD1-CD1 4.22Å; Y405-Y500 WeakPolarHBondContact O-CE1 3.34Å; G496-Y500 VanDerWaalsContact O-CB 3.31Å; G496-Y500 WeakPolarHBondContact O-CB 3.32Å; G496-Y500 PolarHBondContact O-N 2.96Å; G497-Y500 PolarHBondContact O-N 2.89Å; V498-Y500 VanDerWaalsContact C-N 3.32Å; V498-Y500 PolarHBondContact O-N 2.71Å; Y500-Y503 WeakPolarHBondContact O-CB 3.25Å; Y500-Y503 PolarHBondContact O-N 3.27Å; Y500-C504 PolarHBondContact O-N 3.2Å; Y500-C504 PolarHBondContact O-SG 2.91Å; Y500-C504 VanDerWaalsContact O-SG 3.4Å
501T90.7Very high89.1Confident5 Ų571.3 Ų71.33%0.03140%0.395CS..Hα-helixtrans-62.6-45.2178.5-58.40000111.3F404 G407 L409 I412 G497 V498 Y503 C504 E505F404-T501 PolarHBondContact O-OG1 2.78Å; G407-T501 WeakPolarHBondContact O-CG2 3.19Å; L409-T501 HydrophobicContact CD2-CG2 4.17Å; L409-T501 HydrophobicContact CG-CG2 4.24Å; I412-T501 HydrophobicContact CD1-CG2 4.44Å; G497-T501 WeakPolarHBondContact O-CB 3.3Å; G497-T501 PolarHBondContact O-N 2.9Å; G497-T501 PolarHBondContact O-OG1 3.28Å; V498-T501 PolarHBondContact O-N 2.73Å; T501-Y503 VanDerWaalsContact C-N 3.34Å; T501-Y503 PolarHBondContact O-N 3.44Å; T501-C504 PolarHBondContact O-N 2.91Å; T501-E505 PolarHBondContact O-N 3.4Å
502V90.1Very high88.5Confident58 Ų5875.8 Ų75.835%0.35241%0.409SS..Hα-helixtrans-58.6-47.1174.1172.60000110.4L409 V498 C504 E505 T506L409-V502 HydrophobicContact CD1-CG2 4.15Å; L409-V502 HydrophobicContact CD2-CG2 3.83Å; L409-V502 HydrophobicContact CG-CG2 4.47Å; V498-V502 HydrophobicContact CG1-CG2 4.24Å; V498-V502 VanDerWaalsContact O-CG2 3.28Å; V498-V502 WeakPolarHBondContact O-CG2 3.43Å; V498-V502 PolarHBondContact O-N 3.45Å; V502-C504 PolarHBondContact O-N 3.48Å; V502-E505 PolarHBondContact O-N 3.01Å; V502-T506 HydrophobicContact CG1-CG2 4.23Å; V502-T506 VanDerWaalsContact O-CG2 3.29Å; V502-T506 WeakPolarHBondContact O-CG2 3.37Å; V502-T506 PolarHBondContact O-N 3.02Å; V502-T506 PolarHBondContact O-OG1 2.85Å
503Y90.2Very high87.8Confident146 Ų14675.7 Ų75.757%0.57341%0.406SS*.Hα-helixtrans-59-47.3179171.8-101.8000111.9A499 Y500 T501 T506A499-Y503 WeakPolarHBondContact O-CB 3.38Å; A499-Y503 PolarHBondContact O-N 3.23Å; Y500-Y503 WeakPolarHBondContact O-CB 3.25Å; Y500-Y503 PolarHBondContact O-N 3.27Å; T501-Y503 VanDerWaalsContact C-N 3.34Å; T501-Y503 PolarHBondContact O-N 3.44Å; Y503-T506 PolarHBondContact O-N 3.06Å; Y503-T506 PolarHBondContact O-OG1 3.17Å
504C87.4Confident87.1Confident50 Ų5074.6 Ų74.634%0.33840%0.398SS..Hα-helixtrans-61.3-45.2176.8-70.30000112.1Y500 T501 V502 T506 Q507Y500-C504 PolarHBondContact O-N 3.2Å; Y500-C504 PolarHBondContact O-SG 2.91Å; Y500-C504 VanDerWaalsContact O-SG 3.4Å; T501-C504 PolarHBondContact O-N 2.91Å; V502-C504 PolarHBondContact O-N 3.48Å; C504-T506 PolarHBondContact O-N 3.25Å; C504-Q507 WeakPolarHBondContact O-CB 3.49Å; C504-Q507 PolarHBondContact O-N 3.25Å
505E86.5Confident86.7Confident25 Ų2577 Ų7712%0.11741%0.407CS..Hα-helixtrans-69.9-28.9179.5-74.7-172.9-176.100113R408 L409 T501 V502 Q507 E508 F510R408-E505 VanDerWaalsContact C-OE1 3.29Å; R408-E505 WeakPolarHBondContact CA-OE1 3.45Å; R408-E505 WeakPolarHBondContact CB-OE1 3.19Å; R408-E505 WeakPolarHBondContact CG-OE1 3.4Å; L409-E505 WeakPolarHBondContact CB-OE2 3.4Å; L409-E505 VanDerWaalsContact CD1-OE2 3.24Å; L409-E505 WeakPolarHBondContact CD1-OE2 3.09Å; L409-E505 WeakPolarHBondContact CG-OE2 3.4Å; L409-E505 PolarHBondContact N-OE1 3.17Å; T501-E505 PolarHBondContact O-N 3.4Å; V502-E505 PolarHBondContact O-N 3.01Å; E505-Q507 PolarHBondContact O-N 2.82Å; E505-Q507 VanDerWaalsContact O-N 3.12Å; E505-E508 CarbonylContact O-C 3.53Å; E505-E508 PolarHBondContact O-N 3.43Å; E505-F510 HydrophobicContact CB-CE1 4.43Å; E505-F510 HydrophobicContact CB-CZ 4Å; E505-F510 WeakPolarHBondContact OE2-CE1 3.36Å; E505-F510 WeakPolarHBondContact OE2-CZ 3.02Å
506T84.7Confident86.3Confident92 Ų9274 Ų7456%0.56440%0.399SS*.Hα-helixtrans-64.5-16174.354.30000113.7V502 Y503 C504V502-T506 HydrophobicContact CG1-CG2 4.23Å; V502-T506 VanDerWaalsContact O-CG2 3.29Å; V502-T506 WeakPolarHBondContact O-CG2 3.37Å; V502-T506 PolarHBondContact O-N 3.02Å; V502-T506 PolarHBondContact O-OG1 2.85Å; Y503-T506 PolarHBondContact O-N 3.06Å; Y503-T506 PolarHBondContact O-OG1 3.17Å; C504-T506 PolarHBondContact O-N 3.25Å
507Q84.2Confident86Confident133 Ų13374.5 Ų74.562%0.62139%0.394SS*.THydrogen-bonded Turntrans-82.5-13.1174.6-55.2-63-33.400112.7C504 E505C504-Q507 WeakPolarHBondContact O-CB 3.49Å; C504-Q507 PolarHBondContact O-N 3.25Å; E505-Q507 PolarHBondContact O-N 2.82Å; E505-Q507 VanDerWaalsContact O-N 3.12Å
508E78.9Confident85.8Confident132 Ų13276 Ų7662%0.61740%0.402SS*.SBendtrans-123.1129.3178.7-67-171.9174.500110.6E505 F510E505-E508 CarbonylContact O-C 3.53Å; E505-E508 PolarHBondContact O-N 3.43Å; E508-F510 PolarHBondContact O-N 3.41Å
509P71.1Confident85.7Confident129 Ų12979.1 Ų79.184%0.83842%0.416SS*.PPolyproline II helixtrans-66.8125179.126.2-32000110.9S511P509-S511 PolarHBondContact O-N 2.91Å
510F77.1Confident85.7Confident64 Ų6479.1 Ų79.128%0.28142%0.415SS..PPolyproline II helixtrans-55.2134.2171.5-69.4-82.1000111.2L409 E505 E508 E514 K515 L518L409-F510 HydrophobicContact CD1-CZ 4.13Å; E505-F510 HydrophobicContact CB-CE1 4.43Å; E505-F510 HydrophobicContact CB-CZ 4Å; E505-F510 WeakPolarHBondContact OE2-CE1 3.36Å; E505-F510 WeakPolarHBondContact OE2-CZ 3.02Å; E508-F510 PolarHBondContact O-N 3.41Å; F510-E514 HydrophobicContact CD1-CB 4.41Å; F510-K515 HydrophobicContact CB-CD 4.29Å; F510-K515 HydrophobicContact CB-CG 3.66Å; F510-K515 HydrophobicContact CG-CG 4.4Å; F510-K515 WeakPolarHBondContact O-CE 3.42Å; F510-L518 HydrophobicContact CD1-CD1 4.02Å; F510-L518 HydrophobicContact CE1-CD1 3.72Å; F510-L518 HydrophobicContact CZ-CD1 4.49Å
511S81.6Confident85.7Confident48 Ų4873.6 Ų73.634%0.33640%0.395SS..PPolyproline II helixtrans-66.2151.8167.166.90000110.9P509 M513 E514 K515P509-S511 PolarHBondContact O-N 2.91Å; S511-M513 PolarHBondContact O-N 3.48Å; S511-E514 WeakPolarHBondContact CB-OE2 3.36Å; S511-E514 PolarHBondContact N-OE2 3.16Å; S511-E514 PolarHBondContact O-N 2.69Å; S511-E514 VanDerWaalsContact O-N 3.09Å; S511-E514 WeakPolarHBondContact OG-CB 3.4Å; S511-E514 VanDerWaalsContact OG-CD 3.22Å; S511-E514 WeakPolarHBondContact OG-CG 3.18Å; S511-E514 PolarHBondContact OG-N 2.96Å; S511-E514 PolarHBondContact OG-OE2 3.45Å; S511-K515 WeakPolarHBondContact O-CG 2.94Å; S511-K515 PolarHBondContact O-N 3.4Å
512E83.4Confident85.9Confident137 Ų13777 Ų7764%0.6442%0.416SS*.Hα-helixtrans-58.1-33.3177.8-69.2-55.6124.400112.4K515 A516E512-K515 IonicContact OE1-NZ 2.73Å; E512-K515 PolarHBondContact OE1-NZ 3.48Å; E512-A516 WeakPolarHBondContact O-CB 3.35Å; E512-A516 PolarHBondContact O-N 3.18Å
513M82.9Confident86.1Confident110 Ų11078.1 Ų78.154%0.54242%0.423SS..Hα-helixtrans-65.3-45.9174.3-177.261.973.100112.1S511 K515 A516 L517S511-M513 PolarHBondContact O-N 3.48Å; M513-K515 VanDerWaalsContact C-N 3.35Å; M513-K515 PolarHBondContact O-N 2.95Å; M513-A516 PolarHBondContact O-N 3.36Å; M513-L517 HydrophobicContact CG-CD1 4.19Å; M513-L517 WeakPolarHBondContact O-CG 3.39Å; M513-L517 PolarHBondContact O-N 3.46Å; M513-L517 HydrophobicContact SD-CG 4.44Å
514E81.6Confident86.3Confident26 Ų2676.4 Ų76.412%0.12142%0.423CS..Hα-helixtrans-64.3-40.2178.6-75.3164.9142.500111.9R408 F510 S511 L517 L518R408-E514 IonicContact CZ-OE1 3.07Å; R408-E514 IonicContact NH1-OE1 2.67Å; R408-E514 PolarHBondContact NH1-OE1 3.08Å; F510-E514 HydrophobicContact CD1-CB 4.41Å; S511-E514 WeakPolarHBondContact CB-OE2 3.36Å; S511-E514 PolarHBondContact N-OE2 3.16Å; S511-E514 PolarHBondContact O-N 2.69Å; S511-E514 VanDerWaalsContact O-N 3.09Å; S511-E514 WeakPolarHBondContact OG-CB 3.4Å; S511-E514 VanDerWaalsContact OG-CD 3.22Å; S511-E514 WeakPolarHBondContact OG-CG 3.18Å; S511-E514 PolarHBondContact OG-N 2.96Å; S511-E514 PolarHBondContact OG-OE2 3.45Å; E514-L517 PolarHBondContact O-N 3.24Å; E514-L518 WeakPolarHBondContact O-CB 3.35Å; E514-L518 VanDerWaalsContact O-CG 3.27Å; E514-L518 WeakPolarHBondContact O-CG 3.19Å; E514-L518 PolarHBondContact O-N 2.91Å
515K85.8Confident86.5Confident82 Ų8276.4 Ų76.436%0.35742%0.416SS..Hα-helixtrans-58.9-48.4173.2-65.7177.3-167.7164.60110.8F510 S511 E512 M513 L517 L518 I519F510-K515 HydrophobicContact CB-CD 4.29Å; F510-K515 HydrophobicContact CB-CG 3.66Å; F510-K515 HydrophobicContact CG-CG 4.4Å; F510-K515 WeakPolarHBondContact O-CE 3.42Å; S511-K515 WeakPolarHBondContact O-CG 2.94Å; S511-K515 PolarHBondContact O-N 3.4Å; E512-K515 IonicContact OE1-NZ 2.73Å; E512-K515 PolarHBondContact OE1-NZ 3.48Å; M513-K515 VanDerWaalsContact C-N 3.35Å; M513-K515 PolarHBondContact O-N 2.95Å; K515-L517 PolarHBondContact O-N 3.4Å; K515-L518 PolarHBondContact O-N 3.4Å; K515-I519 WeakPolarHBondContact O-CB 3.29Å; K515-I519 WeakPolarHBondContact O-CD1 3.46Å; K515-I519 VanDerWaalsContact O-CG1 3.23Å; K515-I519 WeakPolarHBondContact O-CG1 3.38Å; K515-I519 PolarHBondContact O-N 3.01Å
516A88Confident86.8Confident54 Ų5477.7 Ų77.745%0.44643%0.431SS..Hα-helixtrans-60.2-44.5178.900000112E512 M513 I519 A520E512-A516 WeakPolarHBondContact O-CB 3.35Å; E512-A516 PolarHBondContact O-N 3.18Å; M513-A516 PolarHBondContact O-N 3.36Å; A516-I519 PolarHBondContact O-N 3.38Å; A516-A520 VanDerWaalsContact O-CB 3.27Å; A516-A520 WeakPolarHBondContact O-CB 3.5Å; A516-A520 PolarHBondContact O-N 3Å
517L88.6Confident87.3Confident45 Ų4576 Ų7624%0.23642%0.423CS..Hα-helixtrans-63.7-45.9177-73.2173.7000112.2H42 W410 M513 E514 K515 I519 A520 G521H42-L517 HydrophobicContact CB-CD1 3.98Å; W410-L517 HydrophobicContact CD2-CB 4.29Å; W410-L517 HydrophobicContact CE3-CB 3.93Å; W410-L517 HydrophobicContact CH2-CB 4.21Å; W410-L517 HydrophobicContact CH2-CD2 4.28Å; W410-L517 HydrophobicContact CZ2-CD2 4.43Å; W410-L517 HydrophobicContact CZ3-CB 3.89Å; W410-L517 VanDerWaalsContact CZ3-O 3.25Å; W410-L517 WeakPolarHBondContact CZ3-O 3.4Å; M513-L517 HydrophobicContact CG-CD1 4.19Å; M513-L517 WeakPolarHBondContact O-CG 3.39Å; M513-L517 PolarHBondContact O-N 3.46Å; M513-L517 HydrophobicContact SD-CG 4.44Å; E514-L517 PolarHBondContact O-N 3.24Å; K515-L517 PolarHBondContact O-N 3.4Å; L517-I519 PolarHBondContact O-N 2.86Å; L517-A520 PolarHBondContact O-N 2.72Å; L517-G521 PolarHBondContact O-N 2.97Å
518L89.9Confident87.7Confident32 Ų3270.7 Ų70.717%0.16840%0.397CS..Hα-helixtrans-60.3-45.1177.4-77.4169.7000111.8L409 W410 L413 F510 E514 K515 T522L409-L518 HydrophobicContact CB-CD2 4.02Å; W410-L518 HydrophobicContact CB-CD2 4.14Å; W410-L518 HydrophobicContact CE3-CD2 4.42Å; L413-L518 HydrophobicContact CD2-CD2 4.16Å; F510-L518 HydrophobicContact CD1-CD1 4.02Å; F510-L518 HydrophobicContact CE1-CD1 3.72Å; F510-L518 HydrophobicContact CZ-CD1 4.49Å; E514-L518 WeakPolarHBondContact O-CB 3.35Å; E514-L518 VanDerWaalsContact O-CG 3.27Å; E514-L518 WeakPolarHBondContact O-CG 3.19Å; E514-L518 PolarHBondContact O-N 2.91Å; K515-L518 PolarHBondContact O-N 3.4Å; L518-T522 WeakPolarHBondContact O-CB 3.33Å; L518-T522 PolarHBondContact O-N 3.43Å; L518-T522 PolarHBondContact O-OG1 3.29Å
519I92.1Very high88.2Confident114 Ų11467.8 Ų67.859%0.58538%0.38SS*.Hα-helixtrans-63.2-53177.2-67.6165.8000109.8K515 A516 L517 G521 T522 V523K515-I519 WeakPolarHBondContact O-CB 3.29Å; K515-I519 WeakPolarHBondContact O-CD1 3.46Å; K515-I519 VanDerWaalsContact O-CG1 3.23Å; K515-I519 WeakPolarHBondContact O-CG1 3.38Å; K515-I519 PolarHBondContact O-N 3.01Å; A516-I519 PolarHBondContact O-N 3.38Å; L517-I519 PolarHBondContact O-N 2.86Å; I519-G521 PolarHBondContact O-N 3.34Å; I519-T522 PolarHBondContact O-N 3.5Å; I519-V523 HydrophobicContact CG2-CG2 4.45Å; I519-V523 VanDerWaalsContact O-CG2 3.32Å; I519-V523 WeakPolarHBondContact O-CG2 3.43Å; I519-V523 PolarHBondContact O-N 3.45Å
520A93Very high89.2Confident59 Ų5966.8 Ų66.849%0.48837%0.368SS..Hα-helixtrans-60.5-45.6-177.900000112.1A516 L517 T522 V523 L524A516-A520 VanDerWaalsContact O-CB 3.27Å; A516-A520 WeakPolarHBondContact O-CB 3.5Å; A516-A520 PolarHBondContact O-N 3Å; L517-A520 PolarHBondContact O-N 2.72Å; A520-T522 PolarHBondContact O-N 2.67Å; A520-V523 PolarHBondContact O-N 2.75Å; A520-L524 WeakPolarHBondContact O-CB 3.38Å; A520-L524 PolarHBondContact O-N 3.22Å
521G92.4Very high89.9Confident5 Ų568.7 Ų68.75%0.05238%0.379CS..Hα-helixtrans-65.1-38177.900000112.6L517 I519 L524 Y525L517-G521 PolarHBondContact O-N 2.97Å; I519-G521 PolarHBondContact O-N 3.34Å; G521-L524 PolarHBondContact O-N 3.29Å; G521-Y525 VanDerWaalsContact O-CB 3.28Å; G521-Y525 WeakPolarHBondContact O-CB 3.27Å; G521-Y525 PolarHBondContact O-N 2.98Å
522T93.6Very high90.2Very high77 Ų7766.7 Ų66.747%0.47237%0.365SS..Hα-helixtrans-68.1-43.1177.5-59.90000110.8L518 I519 A520 Y525 A526L518-T522 WeakPolarHBondContact O-CB 3.33Å; L518-T522 PolarHBondContact O-N 3.43Å; L518-T522 PolarHBondContact O-OG1 3.29Å; I519-T522 PolarHBondContact O-N 3.5Å; A520-T522 PolarHBondContact O-N 2.67Å; T522-Y525 PolarHBondContact O-N 2.97Å; T522-A526 VanDerWaalsContact O-CB 3.3Å; T522-A526 WeakPolarHBondContact O-CB 3.42Å; T522-A526 PolarHBondContact O-N 3.08Å
523V95.2Very high90.4Very high81 Ų8164.8 Ų64.849%0.49136%0.359SS..Hα-helixtrans-60.2-47.9173.9171.10000110.3I519 A520 Y525 A526 C527I519-V523 HydrophobicContact CG2-CG2 4.45Å; I519-V523 VanDerWaalsContact O-CG2 3.32Å; I519-V523 WeakPolarHBondContact O-CG2 3.43Å; I519-V523 PolarHBondContact O-N 3.45Å; A520-V523 PolarHBondContact O-N 2.75Å; V523-Y525 PolarHBondContact O-N 3.33Å; V523-A526 PolarHBondContact O-N 2.88Å; V523-C527 WeakPolarHBondContact O-CB 3.49Å; V523-C527 PolarHBondContact O-N 3.43Å; V523-C527 PolarHBondContact O-SG 3.4Å
524L94Very high90.7Very high109 Ų10963.6 Ų63.657%0.57136%0.357SS*.Hα-helixtrans-58.6-47177.7-179.263.6000111.9L417 A520 G521 A526 C527 Y528L417-L524 HydrophobicContact CD2-CB 4.42Å; L417-L524 HydrophobicContact CD2-CD2 3.97Å; L417-L524 HydrophobicContact CD2-CG 4.1Å; A520-L524 WeakPolarHBondContact O-CB 3.38Å; A520-L524 PolarHBondContact O-N 3.22Å; G521-L524 PolarHBondContact O-N 3.29Å; L524-A526 PolarHBondContact O-N 3.27Å; L524-C527 PolarHBondContact O-N 3.22Å; L524-Y528 PolarHBondContact O-N 3.21Å
525Y92.3Very high91.1Very high50 Ų5064.9 Ų64.920%0.19637%0.365CS..Hα-helixtrans-60.2-45.3177.4-171.4-100.6000111.2L416 L417 Q420 G521 T522 V523 Y528 W529L416-Y525 HydrophobicContact CB-CD2 4.14Å; L416-Y525 HydrophobicContact CB-CE2 3.57Å; L416-Y525 HydrophobicContact CD1-CE2 4.37Å; L416-Y525 HydrophobicContact CG-CE2 4.45Å; L417-Y525 HydrophobicContact CD2-CD2 4.16Å; Q420-Y525 HydrophobicContact CG-CD2 4.42Å; Q420-Y525 HydrophobicContact CG-CE2 4.09Å; Q420-Y525 VanDerWaalsContact OE1-CD2 3.23Å; G521-Y525 VanDerWaalsContact O-CB 3.28Å; G521-Y525 WeakPolarHBondContact O-CB 3.27Å; G521-Y525 PolarHBondContact O-N 2.98Å; T522-Y525 PolarHBondContact O-N 2.97Å; V523-Y525 PolarHBondContact O-N 3.33Å; Y525-Y528 PolarHBondContact O-N 2.87Å; Y525-W529 AromaticContact CD1-CD1 3.73Å; Y525-W529 AromaticContact CD1-NE1 3.67Å; Y525-W529 AromaticContact CE1-CD1 3.57Å; Y525-W529 AromaticContact CE1-NE1 3.09Å; Y525-W529 AromaticContact CE2-NE1 3.64Å; Y525-W529 AromaticContact CZ-CD1 3.98Å; Y525-W529 AromaticContact CZ-CE2 4Å; Y525-W529 AromaticContact CZ-NE1 3.06Å; Y525-W529 PolarHBondContact O-N 2.9Å; Y525-W529 PolarHBondContact OH-NE1 3Å
526A92.9Very high91Very high52 Ų5263 Ų6343%0.4336%0.356SS..Hα-helixtrans-66.2-43.6178.400000112.5T522 V523 L524 Y528 W529 L530T522-A526 VanDerWaalsContact O-CB 3.3Å; T522-A526 WeakPolarHBondContact O-CB 3.42Å; T522-A526 PolarHBondContact O-N 3.08Å; V523-A526 PolarHBondContact O-N 2.88Å; L524-A526 PolarHBondContact O-N 3.27Å; A526-Y528 VanDerWaalsContact C-N 3.32Å; A526-Y528 PolarHBondContact O-N 3.37Å; A526-W529 PolarHBondContact O-N 3.04Å; A526-L530 WeakPolarHBondContact O-CB 3.33Å; A526-L530 PolarHBondContact O-N 3.22Å
527C94.1Very high90.9Very high58 Ų5865 Ų6539%0.39236%0.358SS..Hα-helixtrans-58.2-43.9176-74.80000111.5V523 L524 W529 L530 I531V523-C527 WeakPolarHBondContact O-CB 3.49Å; V523-C527 PolarHBondContact O-N 3.43Å; V523-C527 PolarHBondContact O-SG 3.4Å; L524-C527 PolarHBondContact O-N 3.22Å; C527-W529 VanDerWaalsContact C-N 3.35Å; C527-W529 PolarHBondContact O-N 3.04Å; C527-L530 PolarHBondContact O-N 3.24Å; C527-I531 WeakPolarHBondContact O-CB 3.23Å; C527-I531 WeakPolarHBondContact O-CD1 3.38Å; C527-I531 WeakPolarHBondContact O-CG1 3.47Å; C527-I531 PolarHBondContact O-N 3.09Å
528Y92.5Very high90.6Very high21 Ų2165.3 Ų65.38%0.08237%0.368CS..Hα-helixtrans-55.5-48.7174.7164.6-87.8000112Q420 M424 S443 L524 Y525 A526 I531 L532Q420-Y528 HydrophobicContact CB-CE2 4.41Å; Q420-Y528 VanDerWaalsContact CD-CD1 3.42Å; Q420-Y528 HydrophobicContact CG-CD1 4.1Å; Q420-Y528 HydrophobicContact CG-CE1 3.78Å; Q420-Y528 VanDerWaalsContact NE2-CE1 3.29Å; M424-Y528 HydrophobicContact CG-CD2 4.37Å; M424-Y528 HydrophobicContact CG-CE2 3.71Å; M424-Y528 HydrophobicContact SD-CD2 3.72Å; M424-Y528 HydrophobicContact SD-CE2 3.7Å; S443-Y528 WeakPolarHBondContact CB-OH 3.36Å; S443-Y528 PolarHBondContact OG-OH 3.37Å; L524-Y528 PolarHBondContact O-N 3.21Å; Y525-Y528 PolarHBondContact O-N 2.87Å; A526-Y528 VanDerWaalsContact C-N 3.32Å; A526-Y528 PolarHBondContact O-N 3.37Å; Y528-I531 PolarHBondContact O-N 3.2Å; Y528-L532 HydrophobicContact CD1-CD1 4.18Å; Y528-L532 HydrophobicContact CD2-CD1 4.11Å; Y528-L532 HydrophobicContact CE1-CD1 3.53Å; Y528-L532 HydrophobicContact CE2-CD1 3.44Å; Y528-L532 VanDerWaalsContact CE2-CD1 3.44Å; Y528-L532 HydrophobicContact CE2-CG 4.3Å; Y528-L532 HydrophobicContact CG-CD1 4.45Å; Y528-L532 PolarHBondContact O-N 2.93Å; Y528-L532 VanDerWaalsContact OH-CD1 3.27Å; Y528-L532 WeakPolarHBondContact OH-CD1 3.33Å
529W90.3Very high90.1Very high70 Ų7066.5 Ų66.527%0.26537%0.373SS..Hα-helixtrans-65.6-41.7179.8-73.9112000112.2L444 L447 Y525 A526 C527 L532 L533L444-W529 HydrophobicContact CD2-CE3 3.94Å; L444-W529 HydrophobicContact CD2-CH2 4.15Å; L444-W529 HydrophobicContact CD2-CZ3 3.39Å; L447-W529 HydrophobicContact CB-CH2 3.83Å; L447-W529 HydrophobicContact CB-CZ2 4.44Å; L447-W529 HydrophobicContact CD2-CH2 3.4Å; L447-W529 HydrophobicContact CD2-CZ2 4.01Å; L447-W529 HydrophobicContact CD2-CZ3 4.04Å; L447-W529 HydrophobicContact CG-CH2 4.11Å; Y525-W529 AromaticContact CD1-CD1 3.73Å; Y525-W529 AromaticContact CD1-NE1 3.67Å; Y525-W529 AromaticContact CE1-CD1 3.57Å; Y525-W529 AromaticContact CE1-NE1 3.09Å; Y525-W529 AromaticContact CE2-NE1 3.64Å; Y525-W529 AromaticContact CZ-CD1 3.98Å; Y525-W529 AromaticContact CZ-CE2 4Å; Y525-W529 AromaticContact CZ-NE1 3.06Å; Y525-W529 PolarHBondContact O-N 2.9Å; Y525-W529 PolarHBondContact OH-NE1 3Å; A526-W529 PolarHBondContact O-N 3.04Å; C527-W529 VanDerWaalsContact C-N 3.35Å; C527-W529 PolarHBondContact O-N 3.04Å; W529-L532 PolarHBondContact O-N 2.93Å; W529-L533 VanDerWaalsContact O-CB 3.24Å; W529-L533 WeakPolarHBondContact O-CB 3.31Å; W529-L533 PolarHBondContact O-N 3.47Å
530L91.9Very high89.3Confident109 Ų10961.1 Ų61.157%0.57135%0.346SS*.Hα-helixtrans-61.9-47.2177.5-175.365.7000110.9A526 C527 L532 L533 V534A526-L530 WeakPolarHBondContact O-CB 3.33Å; A526-L530 PolarHBondContact O-N 3.22Å; C527-L530 PolarHBondContact O-N 3.24Å; L530-L532 PolarHBondContact O-N 3.35Å; L530-L533 PolarHBondContact O-N 2.87Å; L530-V534 WeakPolarHBondContact O-CB 3.45Å; L530-V534 VanDerWaalsContact O-CG2 3.26Å; L530-V534 WeakPolarHBondContact O-CG2 3.18Å; L530-V534 PolarHBondContact O-N 2.86Å
531I91.2Very high88.2Confident103 Ų10359.5 Ų59.553%0.52833%0.333SS..Hα-helixtrans-59.4-49177.7-69.9164.5000110.4C527 Y528 L533 V534 L535C527-I531 WeakPolarHBondContact O-CB 3.23Å; C527-I531 WeakPolarHBondContact O-CD1 3.38Å; C527-I531 WeakPolarHBondContact O-CG1 3.47Å; C527-I531 PolarHBondContact O-N 3.09Å; Y528-I531 PolarHBondContact O-N 3.2Å; I531-L533 PolarHBondContact O-N 2.94Å; I531-V534 PolarHBondContact O-N 3.23Å; I531-L535 HydrophobicContact CG2-CD1 3.89Å; I531-L535 HydrophobicContact CG2-CG 4.4Å; I531-L535 WeakPolarHBondContact O-CB 3.19Å; I531-L535 VanDerWaalsContact O-CG 3.28Å; I531-L535 WeakPolarHBondContact O-CG 3.06Å; I531-L535 PolarHBondContact O-N 3.47Å
532L89.2Confident86.9Confident6 Ų666.7 Ų66.73%0.03136%0.362CS..Hα-helixtrans-67.7-34.7-179.6-72.6-178.6000113I440 S443 L444 Y528 W529 L530 L535 Y536I440-L532 HydrophobicContact CG1-CD2 4.37Å; S443-L532 WeakPolarHBondContact OG-CD1 3.24Å; L444-L532 HydrophobicContact CD2-CB 3.99Å; L444-L532 HydrophobicContact CD2-CD1 3.4Å; L444-L532 VanDerWaalsContact CD2-CD1 3.4Å; L444-L532 HydrophobicContact CD2-CG 4.34Å; L444-L532 HydrophobicContact CG-CD1 3.89Å; Y528-L532 HydrophobicContact CD1-CD1 4.18Å; Y528-L532 HydrophobicContact CD2-CD1 4.11Å; Y528-L532 HydrophobicContact CE1-CD1 3.53Å; Y528-L532 HydrophobicContact CE2-CD1 3.44Å; Y528-L532 VanDerWaalsContact CE2-CD1 3.44Å; Y528-L532 HydrophobicContact CE2-CG 4.3Å; Y528-L532 HydrophobicContact CG-CD1 4.45Å; Y528-L532 PolarHBondContact O-N 2.93Å; Y528-L532 VanDerWaalsContact OH-CD1 3.27Å; Y528-L532 WeakPolarHBondContact OH-CD1 3.33Å; W529-L532 PolarHBondContact O-N 2.93Å; L530-L532 PolarHBondContact O-N 3.35Å; L532-L535 HydrophobicContact CD2-CD1 4.33Å; L532-Y536 VanDerWaalsContact O-CB 3.23Å; L532-Y536 WeakPolarHBondContact O-CB 3.24Å; L532-Y536 PolarHBondContact O-N 2.95Å
533L87.4Confident85.8Confident97 Ų9769.3 Ų69.351%0.50836%0.364SS..Hα-helixtrans-64.5-47.2173.6179.563.3000110.7W529 L530 I531 L535 Y536 L537W529-L533 VanDerWaalsContact O-CB 3.24Å; W529-L533 WeakPolarHBondContact O-CB 3.31Å; W529-L533 PolarHBondContact O-N 3.47Å; L530-L533 PolarHBondContact O-N 2.87Å; I531-L533 PolarHBondContact O-N 2.94Å; L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 2.91Å; L533-Y536 PolarHBondContact O-N 3.46Å; L533-L537 HydrophobicContact CD1-CD1 4.29Å; L533-L537 HydrophobicContact CD1-CG 4.33Å; L533-L537 HydrophobicContact CG-CD1 4.15Å; L533-L537 WeakPolarHBondContact O-CB 3.41Å; L533-L537 VanDerWaalsContact O-CG 3.31Å; L533-L537 WeakPolarHBondContact O-CG 3.34Å; L533-L537 PolarHBondContact O-N 2.82Å
534V89.3Confident84.3Confident85 Ų8567 Ų6752%0.51535%0.351SS..Hα-helixtrans-59.9-46176.4170.20000110.5L530 I531 Y536 L537 A538L530-V534 WeakPolarHBondContact O-CB 3.45Å; L530-V534 VanDerWaalsContact O-CG2 3.26Å; L530-V534 WeakPolarHBondContact O-CG2 3.18Å; L530-V534 PolarHBondContact O-N 2.86Å; I531-V534 PolarHBondContact O-N 3.23Å; V534-Y536 VanDerWaalsContact C-N 3.35Å; V534-Y536 PolarHBondContact O-N 2.92Å; V534-L537 PolarHBondContact O-N 3.31Å; V534-A538 VanDerWaalsContact O-CB 3.28Å; V534-A538 WeakPolarHBondContact O-CB 3.38Å; V534-A538 PolarHBondContact O-N 3Å
535L88.5Confident82.4Confident54 Ų5468.8 Ų68.828%0.28336%0.361SS..Hα-helixtrans-62-41.3175.6-72.3173.7000112I440 F441 I531 L532 L533 A538 I539I440-L535 HydrophobicContact CD1-CD1 4.43Å; F441-L535 HydrophobicContact CE1-CB 4.05Å; F441-L535 HydrophobicContact CZ-CB 3.94Å; I531-L535 HydrophobicContact CG2-CD1 3.89Å; I531-L535 HydrophobicContact CG2-CG 4.4Å; I531-L535 WeakPolarHBondContact O-CB 3.19Å; I531-L535 VanDerWaalsContact O-CG 3.28Å; I531-L535 WeakPolarHBondContact O-CG 3.06Å; I531-L535 PolarHBondContact O-N 3.47Å; L532-L535 HydrophobicContact CD2-CD1 4.33Å; L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 2.91Å; L535-A538 PolarHBondContact O-N 3.41Å; L535-I539 HydrophobicContact CB-CD1 4.5Å; L535-I539 HydrophobicContact CD2-CD1 4.25Å; L535-I539 VanDerWaalsContact O-CB 3.31Å; L535-I539 WeakPolarHBondContact O-CB 3.25Å; L535-I539 WeakPolarHBondContact O-CG1 3.38Å; L535-I539 PolarHBondContact O-N 3.24Å
536Y85.3Confident80.6Confident43 Ų4374 Ų7417%0.16938%0.384CS..Hα-helixtrans-62.9-46.4177.7177.3-93.1000110.9W257 F260 F441 L532 L533 V534 A538 V540 A541W257-Y536 WeakPolarHBondContact CB-OH 3.43Å; F260-Y536 HydrophobicContact CD1-CD2 4.4Å; F260-Y536 AromaticContact CD1-CE2 3.95Å; F260-Y536 HydrophobicContact CD1-CE2 3.95Å; F260-Y536 HydrophobicContact CE1-CD2 4.35Å; F260-Y536 HydrophobicContact CE1-CE2 4.34Å; F441-Y536 HydrophobicContact CE1-CD2 4.42Å; L532-Y536 VanDerWaalsContact O-CB 3.23Å; L532-Y536 WeakPolarHBondContact O-CB 3.24Å; L532-Y536 PolarHBondContact O-N 2.95Å; L533-Y536 PolarHBondContact O-N 3.46Å; V534-Y536 VanDerWaalsContact C-N 3.35Å; V534-Y536 PolarHBondContact O-N 2.92Å; Y536-A538 VanDerWaalsContact C-N 3.32Å; Y536-A538 PolarHBondContact O-N 3.48Å; Y536-V540 HydrophobicContact CD2-CB 3.76Å; Y536-V540 HydrophobicContact CD2-CG1 4.07Å; Y536-V540 HydrophobicContact CD2-CG2 4Å; Y536-V540 HydrophobicContact CE2-CB 3.75Å; Y536-V540 HydrophobicContact CE2-CG1 3.53Å; Y536-V540 HydrophobicContact CE2-CG2 4.31Å; Y536-V540 HydrophobicContact CG-CB 4.34Å; Y536-V540 CarbonylContact O-C 3.47Å; Y536-V540 WeakPolarHBondContact O-CA 3.14Å; Y536-V540 WeakPolarHBondContact O-CB 3.28Å; Y536-V540 PolarHBondContact O-N 3.37Å; Y536-A541 HydrophobicContact CE1-CB 4.38Å; Y536-A541 PolarHBondContact O-N 2.91Å
537L84.9Confident78.4Confident95 Ų9581.8 Ų81.850%0.49740%0.403SS..Iπ-helixtrans-63.2-39176.8-68.3173.5000111.6L533 V534 A541L533-L537 HydrophobicContact CD1-CD1 4.29Å; L533-L537 HydrophobicContact CD1-CG 4.33Å; L533-L537 HydrophobicContact CG-CD1 4.15Å; L533-L537 WeakPolarHBondContact O-CB 3.41Å; L533-L537 VanDerWaalsContact O-CG 3.31Å; L533-L537 WeakPolarHBondContact O-CG 3.34Å; L533-L537 PolarHBondContact O-N 2.82Å; V534-L537 PolarHBondContact O-N 3.31Å; L537-A541 HydrophobicContact CD2-CB 3.96Å
538A83.6Confident76.1Confident52 Ų5287.6 Ų87.643%0.4342%0.424SS..Iπ-helixtrans-71.4-43.6-179.900000113.5V534 L535 Y536V534-A538 VanDerWaalsContact O-CB 3.28Å; V534-A538 WeakPolarHBondContact O-CB 3.38Å; V534-A538 PolarHBondContact O-N 3Å; L535-A538 PolarHBondContact O-N 3.41Å; Y536-A538 VanDerWaalsContact C-N 3.32Å; Y536-A538 PolarHBondContact O-N 3.48Å
539I78.4Confident73.5Confident56 Ų5694 Ų9429%0.28746%0.455SS..Iπ-helixtrans-97-39.6-169.5-61.2172.1000112F441 L535 R543F441-I539 HydrophobicContact CE2-CB 4.42Å; F441-I539 HydrophobicContact CE2-CD1 4.33Å; F441-I539 HydrophobicContact CE2-CG2 4.4Å; F441-I539 HydrophobicContact CZ-CB 4.44Å; F441-I539 HydrophobicContact CZ-CD1 4.29Å; L535-I539 HydrophobicContact CB-CD1 4.5Å; L535-I539 HydrophobicContact CD2-CD1 4.25Å; L535-I539 VanDerWaalsContact O-CB 3.31Å; L535-I539 WeakPolarHBondContact O-CB 3.25Å; L535-I539 WeakPolarHBondContact O-CG1 3.38Å; L535-I539 PolarHBondContact O-N 3.24Å; I539-R543 WeakPolarHBondContact O-CD 3.48Å
540V74.3Confident71.3Confident2 Ų295.4 Ų95.41%0.01247%0.465CS..Iπ-helixtrans-107.9-48.3-165.6-173.90000111.4Y254 F260 F441 Y536 K542 R543 C544Y254-V540 HydrophobicContact CD1-CG1 4.25Å; Y254-V540 HydrophobicContact CE1-CG1 4.49Å; F260-V540 HydrophobicContact CD1-CG1 4.11Å; F260-V540 HydrophobicContact CD1-CG2 4.47Å; F260-V540 HydrophobicContact CD2-CG1 3.74Å; F260-V540 HydrophobicContact CD2-CG2 4.41Å; F260-V540 HydrophobicContact CE1-CG1 4.26Å; F260-V540 HydrophobicContact CE1-CG2 3.81Å; F260-V540 HydrophobicContact CE2-CG1 3.93Å; F260-V540 HydrophobicContact CE2-CG2 3.76Å; F260-V540 HydrophobicContact CG-CG1 3.84Å; F260-V540 HydrophobicContact CZ-CB 4.46Å; F260-V540 HydrophobicContact CZ-CG1 4.18Å; F260-V540 HydrophobicContact CZ-CG2 3.42Å; F260-V540 VanDerWaalsContact CZ-CG2 3.42Å; F441-V540 HydrophobicContact CD2-CG2 4.28Å; F441-V540 HydrophobicContact CE2-CG2 3.74Å; F441-V540 HydrophobicContact CZ-CG2 4.04Å; Y536-V540 HydrophobicContact CD2-CB 3.76Å; Y536-V540 HydrophobicContact CD2-CG1 4.07Å; Y536-V540 HydrophobicContact CD2-CG2 4Å; Y536-V540 HydrophobicContact CE2-CB 3.75Å; Y536-V540 HydrophobicContact CE2-CG1 3.53Å; Y536-V540 HydrophobicContact CE2-CG2 4.31Å; Y536-V540 HydrophobicContact CG-CB 4.34Å; Y536-V540 CarbonylContact O-C 3.47Å; Y536-V540 WeakPolarHBondContact O-CA 3.14Å; Y536-V540 WeakPolarHBondContact O-CB 3.28Å; Y536-V540 PolarHBondContact O-N 3.37Å; V540-K542 VanDerWaalsContact C-N 3.27Å; V540-K542 PolarHBondContact O-N 3.33Å; V540-R543 CarbonylContact O-C 3.59Å; V540-R543 WeakPolarHBondContact O-CA 3.33Å; V540-R543 WeakPolarHBondContact O-CB 3.42Å; V540-R543 PolarHBondContact O-N 2.96Å; V540-C544 PolarHBondContact O-N 3.49Å; V540-C544 PolarHBondContact O-SG 2.73Å; V540-C544 VanDerWaalsContact O-SG 3.4Å
541A70.4Confident69Low25 Ų2594.2 Ų94.221%0.20745%0.453CS..Iπ-helixtrans-61.1-35.8-176.700000112.7Y536 L537 R543 C544 N545Y536-A541 HydrophobicContact CE1-CB 4.38Å; Y536-A541 PolarHBondContact O-N 2.91Å; L537-A541 HydrophobicContact CD2-CB 3.96Å; A541-R543 PolarHBondContact O-N 3.41Å; A541-C544 PolarHBondContact O-N 2.92Å; A541-N545 PolarHBondContact O-N 3.4Å
542K65.5Low66.6Low155 Ų15595.7 Ų95.767%0.67446%0.457SS*.Hα-helixtrans-61.4-27.5172.1-69.9-172.7-180-179.20113.6V540V540-K542 VanDerWaalsContact C-N 3.27Å; V540-K542 PolarHBondContact O-N 3.33Å
543R70.7Confident64.7Low132 Ų13297 Ų9750%0.49846%0.464SS..Hα-helixtrans-88.8-31.6177.4-63.8-178.4177.7-172.3-3.2112.2Y254 I539 V540 A541 N545 K546Y254-R543 HydrophobicContact CD1-CB 4.26Å; Y254-R543 HydrophobicContact CD2-CB 4.48Å; Y254-R543 HydrophobicContact CE1-CB 4.38Å; Y254-R543 HydrophobicContact CG-CB 4.31Å; Y254-R543 PolarHBondContact OH-NH1 3.24Å; I539-R543 WeakPolarHBondContact O-CD 3.48Å; V540-R543 CarbonylContact O-C 3.59Å; V540-R543 WeakPolarHBondContact O-CA 3.33Å; V540-R543 WeakPolarHBondContact O-CB 3.42Å; V540-R543 PolarHBondContact O-N 2.96Å; A541-R543 PolarHBondContact O-N 3.41Å; R543-N545 VanDerWaalsContact C-N 3.3Å; R543-N545 PolarHBondContact O-N 3.01Å; R543-K546 PolarHBondContact O-N 3.12Å
544C62.6Low62.6Low32 Ų3297.1 Ų97.122%0.21647%0.471CS..Hα-helixtrans-64.4-31.8174.2-66.50000113.2Y254 V540 A541Y254-C544 WeakPolarHBondContact O-CA 3.49Å; Y254-C544 VanDerWaalsContact O-CB 3.32Å; Y254-C544 WeakPolarHBondContact O-CB 3.49Å; Y254-C544 PolarHBondContact O-SG 2.87Å; V540-C544 PolarHBondContact O-N 3.49Å; V540-C544 PolarHBondContact O-SG 2.73Å; V540-C544 VanDerWaalsContact O-SG 3.4Å; A541-C544 PolarHBondContact O-N 2.92Å
545N54.8Low60.6Low147 Ų14797.6 Ų97.679%0.78646%0.464SS*.THydrogen-bonded Turntrans-82.7-9.2179.4-84.3-2.6000114.6A541 R543 R547A541-N545 PolarHBondContact O-N 3.4Å; R543-N545 VanDerWaalsContact C-N 3.3Å; R543-N545 PolarHBondContact O-N 3.01Å; N545-R547 PolarHBondContact O-N 3.22Å; N545-R547 VanDerWaalsContact O-N 3.11Å
546K53.8Low58Low159 Ų15996.4 Ų96.469%0.69146%0.462SS*.  trans-80.788169.1-71.7-166.1173.9-159.90108.3R543R543-K546 PolarHBondContact O-N 3.12Å
547R47.8Very low55.5Low217 Ų217101.1 Ų101.182%0.81949%0.486SS*.  trans-65.5138.4167.6-101-175174.5179.7-2.6109.7N545 E549N545-R547 PolarHBondContact O-N 3.22Å; N545-R547 VanDerWaalsContact O-N 3.11Å; R547-E549 VanDerWaalsContact C-N 3.33Å; R547-E549 PolarHBondContact O-N 3.3Å
548E45Very low53Low179 Ų179105.4 Ų105.484%0.83652%0.524SS*.SBendtrans68.2-16.8155-68.9177.5170.900121Q550E548-Q550 VanDerWaalsContact C-N 3.29Å; E548-Q550 PolarHBondContact O-N 3.47Å
549E39.3Very low51.5Low156 Ų156108.1 Ų108.173%0.72953%0.528SS*.SBendtrans-72.988.9173.4-78.4-177.4171.400110.6R547R547-E549 VanDerWaalsContact C-N 3.33Å; R547-E549 PolarHBondContact O-N 3.3Å
550Q42.9Very low50.1Low100 Ų100110.8 Ų110.847%0.46754%0.541SS..  trans45.5106.3169.1-75.9157.4-32.200113.4E548 H552 E557E548-Q550 VanDerWaalsContact C-N 3.29Å; E548-Q550 PolarHBondContact O-N 3.47Å; Q550-H552 PolarHBondContact O-N 2.92Å; Q550-H552 PolarHBondContact OE1-CE1 2.72Å; Q550-H552 VanDerWaalsContact OE1-CE1 3.27Å; Q550-E557 PolarHBondContact NE2-OE1 2.86Å
551Y44.1Very low48.7Very low84 Ų84116.9 Ų116.933%0.32957%0.57SS.*  trans-54.585.8141-68.7-79.9000106.4L251 N252 D255 L553L251-Y551 HydrophobicContact CD1-CD1 4.31Å; L251-Y551 HydrophobicContact CD1-CG 4.34Å; L251-Y551 VanDerWaalsContact O-CD1 3.3Å; L251-Y551 WeakPolarHBondContact O-CD1 3.47Å; L251-Y551 WeakPolarHBondContact O-CE1 3.32Å; N252-Y551 WeakPolarHBondContact CA-OH 3.44Å; D255-Y551 PolarHBondContact OD1-OH 3.46Å; Y551-L553 PolarHBondContact O-N 3.36Å
552H40.9Very low47.5Very low133 Ų133122.3 Ų122.362%0.61659%0.592SS**  trans-60.690.9173.5-76.9-71.6000104.6Q550 P554Q550-H552 PolarHBondContact O-N 2.92Å; Q550-H552 PolarHBondContact OE1-CE1 2.72Å; Q550-H552 VanDerWaalsContact OE1-CE1 3.27Å; H552-P554 WeakPolarHBondContact O-CD 3.29Å
553L48.1Very low46.3Very low34 Ų34120.3 Ų120.318%0.17859%0.587CS.*  trans-59.7130.1162.4-45.5159.3000102.3V222 L251 Y551 Y555 A556V222-L553 HydrophobicContact CB-CD2 4.35Å; V222-L553 HydrophobicContact CG1-CD1 4.01Å; V222-L553 HydrophobicContact CG1-CD2 3.65Å; V222-L553 HydrophobicContact CG1-CG 4.47Å; L251-L553 HydrophobicContact CD1-CD2 4.15Å; Y551-L553 PolarHBondContact O-N 3.36Å; L553-Y555 PolarHBondContact O-N 2.92Å; L553-A556 HydrophobicContact CB-CB 3.54Å; L553-A556 HydrophobicContact CD1-CB 3.74Å; L553-A556 HydrophobicContact CG-CB 3.83Å; L553-A556 WeakPolarHBondContact O-CB 3.35Å; L553-A556 PolarHBondContact O-N 3.23Å
554P44.4Very low44.7Very low99 Ų99119.5 Ų119.564%0.64359%0.593SS**THydrogen-bonded Turntrans-53.3-14169.7-20.830.3000112.2H552H552-P554 WeakPolarHBondContact O-CD 3.29Å
555Y46.3Very low43.4Very low95 Ų95125.7 Ų125.737%0.37362%0.619SS.*THydrogen-bonded Turntrans-121.620.6-177.9-42.7-72.2000112.5R106 D224 Q341 L553R106-Y555 PolarHBondContact NH1-O 3.39Å; R106-Y555 PolarHBondContact NH2-O 2.98Å; D224-Y555 HydrophobicContact CB-CD2 4.46Å; D224-Y555 HydrophobicContact CB-CE2 4.31Å; D224-Y555 WeakPolarHBondContact OD2-CD1 3.31Å; D224-Y555 VanDerWaalsContact OD2-CD2 3.25Å; D224-Y555 WeakPolarHBondContact OD2-CD2 3.48Å; D224-Y555 WeakPolarHBondContact OD2-CE1 3.45Å; D224-Y555 WeakPolarHBondContact OD2-CE2 3.3Å; D224-Y555 PolarHBondContact OD2-OH 3.11Å; Q341-Y555 PolarHBondContact OE1-OH 3.31Å; L553-Y555 PolarHBondContact O-N 2.92Å
556A35.7Very low42.6Very low30 Ų30124.1 Ų124.125%0.24861%0.607CS.*SBendtrans-79.6-36.8-174.700000112.3R106 L553R106-A556 PolarHBondContact NH1-O 3.34Å; L553-A556 HydrophobicContact CB-CB 3.54Å; L553-A556 HydrophobicContact CD1-CB 3.74Å; L553-A556 HydrophobicContact CG-CB 3.83Å; L553-A556 WeakPolarHBondContact O-CB 3.35Å; L553-A556 PolarHBondContact O-N 3.23Å
557E32.8Very low41.6Very low142 Ų142121.2 Ų121.266%0.66460%0.6SS**  trans-138.694.8-167-72.3174.1-175.300108.9Q550Q550-E557 PolarHBondContact NE2-OE1 2.86Å
558S32.3Very low41.1Very low185 Ų185112.5 Ų112.5100%1.29458%0.58SS**  trans-156.30155.362.50000108

Retrieved 558 of 558 residues in 4708.6 ms (Link to these results)

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