A0A087X634_POEFO Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087X634, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 277 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
1M60.8Low79.9Confident191 Ų191118.4 Ų118.494%0.94155%0.554SS**  0-46.40-166.7168.7161.200112.7R4 M5M1-R4 PolarHBondContact O-N 3.34Å; M1-M5 PolarHBondContact O-N 3.36Å; M1-M5 VanDerWaalsContact O-N 3.13Å
2F69.1Low80.8Confident168 Ų168111.8 Ų111.874%0.73753%0.525SS*.Hα-helixtrans-57.5-51179.1-176.2-101.2000114.5R4 M5 L6F2-R4 VanDerWaalsContact C-N 3.29Å; F2-R4 PolarHBondContact O-N 2.93Å; F2-M5 PolarHBondContact O-N 3.43Å; F2-M5 VanDerWaalsContact O-N 3.15Å; F2-L6 PolarHBondContact O-N 3.26Å
3T76.2Confident81.5Confident98 Ų98108 Ų10860%0.60153%0.525SS*.Hα-helixtrans-58.7-37.7178.246.40000113.1K7T3-K7 WeakPolarHBondContact O-CG 3.38Å; T3-K7 PolarHBondContact O-N 2.99Å; T3-K7 VanDerWaalsContact O-N 3.14Å
4R76.7Confident82.5Confident191 Ų191106.2 Ų106.272%0.72152%0.523SS*.Hα-helixtrans-66.5-45.1175.4-173.9177.8178.1-177.50.2111.6M1 F2 L6 K7 L8M1-R4 PolarHBondContact O-N 3.34Å; F2-R4 VanDerWaalsContact C-N 3.29Å; F2-R4 PolarHBondContact O-N 2.93Å; R4-L6 VanDerWaalsContact C-N 3.35Å; R4-K7 PolarHBondContact O-N 3.27Å; R4-L8 WeakPolarHBondContact O-CG 3.37Å; R4-L8 PolarHBondContact O-N 3.02Å
5M77.4Confident83.3Confident48 Ų48100.1 Ų100.124%0.23650%0.496CS..Hα-helixtrans-66.8-36177.7-72.9-60.9-62.900112.5M1 F2 L8 R9 L109M1-M5 PolarHBondContact O-N 3.36Å; M1-M5 VanDerWaalsContact O-N 3.13Å; F2-M5 PolarHBondContact O-N 3.43Å; F2-M5 VanDerWaalsContact O-N 3.15Å; M5-L8 PolarHBondContact O-N 3.07Å; M5-L8 HydrophobicContact SD-CD1 4.41Å; M5-R9 WeakPolarHBondContact O-CG 3.38Å; M5-R9 PolarHBondContact O-N 2.83Å; M5-L109 HydrophobicContact CE-CD2 4.28Å
6L82.3Confident84.1Confident99 Ų9995 Ų9552%0.51847%0.473SS..Hα-helixtrans-62-46.6175-176.963.1000111.6F2 R4 L8 R9 L10F2-L6 PolarHBondContact O-N 3.26Å; R4-L6 VanDerWaalsContact C-N 3.35Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-L8 PolarHBondContact O-N 2.67Å; L6-R9 PolarHBondContact O-N 2.84Å; L6-L10 PolarHBondContact O-N 3.34Å
7K85Confident84.8Confident151 Ų15192.9 Ų92.966%0.65747%0.474SS*.Hα-helixtrans-56.5-46.3175.7-74.2-178.2179.2-171.10112.2T3 R4 R9 L10 L11T3-K7 WeakPolarHBondContact O-CG 3.38Å; T3-K7 PolarHBondContact O-N 2.99Å; T3-K7 VanDerWaalsContact O-N 3.14Å; R4-K7 PolarHBondContact O-N 3.27Å; K7-R9 VanDerWaalsContact C-N 3.34Å; K7-R9 PolarHBondContact O-N 3.14Å; K7-L10 PolarHBondContact O-N 2.99Å; K7-L11 WeakPolarHBondContact O-CD1 3.1Å; K7-L11 PolarHBondContact O-N 3.25Å
8L85.4Confident85.5Confident50 Ų5093.1 Ų93.126%0.26247%0.468SS..Hα-helixtrans-66.9-35.1-179.2-61.2171.3000112.5R4 M5 L6 L11 N12 L109 F122R4-L8 WeakPolarHBondContact O-CG 3.37Å; R4-L8 PolarHBondContact O-N 3.02Å; M5-L8 PolarHBondContact O-N 3.07Å; M5-L8 HydrophobicContact SD-CD1 4.41Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-L8 PolarHBondContact O-N 2.67Å; L8-L11 PolarHBondContact O-N 3.44Å; L8-N12 PolarHBondContact O-N 3.43Å; L8-L109 HydrophobicContact CB-CD1 4.44Å; L8-L109 HydrophobicContact CB-CD2 3.51Å; L8-L109 HydrophobicContact CD1-CD2 4.11Å; L8-L109 HydrophobicContact CG-CD2 4.43Å; L8-F122 HydrophobicContact CB-CE1 4.32Å; L8-F122 HydrophobicContact CD2-CE1 4.29Å; L8-F122 HydrophobicContact CD2-CZ 3.85Å; L8-F122 WeakPolarHBondContact O-CE1 3.22Å
9R85.8Confident86Confident125 Ų12588.9 Ų88.947%0.47245%0.447SS..Hα-helixtrans-67.8-37.9173.3-74.1177.1174.9-172.4-4.5112.4M5 L6 K7 L11 N12M5-R9 WeakPolarHBondContact O-CG 3.38Å; M5-R9 PolarHBondContact O-N 2.83Å; L6-R9 PolarHBondContact O-N 2.84Å; K7-R9 VanDerWaalsContact C-N 3.34Å; K7-R9 PolarHBondContact O-N 3.14Å; R9-L11 VanDerWaalsContact C-N 3.34Å; R9-N12 WeakPolarHBondContact O-CB 3.45Å; R9-N12 PolarHBondContact O-N 2.7Å
10L89.8Confident86.6Confident104 Ų10489 Ų8955%0.54545%0.445SS..Hα-helixtrans-64.2-41.3174.9-173.4131.5000111L6 K7 N12 A13 V14L6-L10 PolarHBondContact O-N 3.34Å; K7-L10 PolarHBondContact O-N 2.99Å; L10-N12 VanDerWaalsContact C-N 3.27Å; L10-N12 PolarHBondContact O-N 2.63Å; L10-A13 PolarHBondContact O-N 3.38Å; L10-V14 HydrophobicContact CD2-CG2 3.7Å; L10-V14 HydrophobicContact CG-CG2 4.01Å; L10-V14 WeakPolarHBondContact O-CG2 3.13Å; L10-V14 PolarHBondContact O-N 3.15Å
11L90.8Very high87.1Confident77 Ų7787.7 Ų87.740%0.40345%0.447SS..Hα-helixtrans-58.5-37173.1-98.370.8000112.8K7 L8 R9 A13 V14 A15 F122K7-L11 WeakPolarHBondContact O-CD1 3.1Å; K7-L11 PolarHBondContact O-N 3.25Å; L8-L11 PolarHBondContact O-N 3.44Å; R9-L11 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 3.31Å; L11-V14 PolarHBondContact O-N 3.03Å; L11-A15 WeakPolarHBondContact O-CB 3.39Å; L11-A15 PolarHBondContact O-N 3.29Å; L11-F122 HydrophobicContact CB-CD1 3.53Å; L11-F122 HydrophobicContact CB-CE1 3.93Å; L11-F122 HydrophobicContact CB-CG 4.08Å; L11-F122 HydrophobicContact CD2-CD1 4.35Å; L11-F122 HydrophobicContact CD2-CD2 4.38Å; L11-F122 HydrophobicContact CD2-CE1 4.45Å; L11-F122 HydrophobicContact CD2-CE2 4.48Å; L11-F122 HydrophobicContact CD2-CG 4.33Å
12N89.9Confident88.9Confident39 Ų3979.2 Ų79.221%0.20941%0.408CS..Hα-helixtrans-63.3-16.8175.3-87.8-2.5000113.9L8 R9 L10 P16 H120 F122L8-N12 PolarHBondContact O-N 3.43Å; R9-N12 WeakPolarHBondContact O-CB 3.45Å; R9-N12 PolarHBondContact O-N 2.7Å; L10-N12 VanDerWaalsContact C-N 3.27Å; L10-N12 PolarHBondContact O-N 2.63Å; N12-P16 WeakPolarHBondContact O-CD 3.46Å; N12-P16 VanDerWaalsContact O-CG 3.32Å; N12-P16 WeakPolarHBondContact O-CG 3.47Å; N12-H120 PolarHBondContact ND2-NE2 2.92Å; N12-H120 PolarHBondContact OD1-NE2 3.01Å; N12-F122 WeakPolarHBondContact OD1-CD1 3.5Å
13A90.6Very high90.2Very high63 Ų6372.2 Ų72.252%0.52138%0.379SS..Hα-helixtrans-103-41.9175.600000111.9L10 L11 P16 A17L10-A13 PolarHBondContact O-N 3.38Å; L11-A13 PolarHBondContact O-N 3.31Å; A13-P16 WeakPolarHBondContact O-CD 3.47Å; A13-A17 WeakPolarHBondContact O-CB 3.2Å; A13-A17 PolarHBondContact O-N 3.2Å
14V95.1Very high91.3Very high83 Ų8371.4 Ų71.450%0.50337%0.374SS..Hα-helixtrans-69.3-41.1-177.1173.30000111.9L10 L11 A17 Y18L10-V14 HydrophobicContact CD2-CG2 3.7Å; L10-V14 HydrophobicContact CG-CG2 4.01Å; L10-V14 WeakPolarHBondContact O-CG2 3.13Å; L10-V14 PolarHBondContact O-N 3.15Å; L11-V14 PolarHBondContact O-N 3.03Å; V14-A17 PolarHBondContact O-N 3.45Å; V14-Y18 WeakPolarHBondContact O-CB 3.4Å; V14-Y18 PolarHBondContact O-N 2.93Å
15A95.3Very high92.3Very high14 Ų1463.2 Ų63.212%0.11635%0.347CS..Hα-helixtrans-66.8-45-177.100000113.2L11 Y18 F19 F122 F123L11-A15 WeakPolarHBondContact O-CB 3.39Å; L11-A15 PolarHBondContact O-N 3.29Å; A15-Y18 PolarHBondContact O-N 3.37Å; A15-F19 PolarHBondContact O-N 3.09Å; A15-F122 HydrophobicContact CB-CB 3.96Å; A15-F123 HydrophobicContact CB-CD1 3.95Å; A15-F123 HydrophobicContact CB-CE1 4.17Å; A15-F123 HydrophobicContact CB-CG 4.19Å
16P95.4Very high93.3Very high19 Ų1961.2 Ų61.212%0.12334%0.338CS..Hα-helixtrans-63-41.7172-22.333.9000112.4N12 A13 Y18 F19 F20 F122 F123N12-P16 WeakPolarHBondContact O-CD 3.46Å; N12-P16 VanDerWaalsContact O-CG 3.32Å; N12-P16 WeakPolarHBondContact O-CG 3.47Å; A13-P16 WeakPolarHBondContact O-CD 3.47Å; P16-Y18 VanDerWaalsContact C-N 3.34Å; P16-Y18 PolarHBondContact O-N 2.82Å; P16-F19 WeakPolarHBondContact O-CB 3.49Å; P16-F19 PolarHBondContact O-N 2.81Å; P16-F20 HydrophobicContact CB-CE2 4.49Å; P16-F20 WeakPolarHBondContact O-CD2 3.13Å; P16-F20 PolarHBondContact O-N 2.73Å; P16-F122 VanDerWaalsContact CD-O 3.28Å; P16-F122 WeakPolarHBondContact CD-O 3.41Å; P16-F122 WeakPolarHBondContact CG-O 3.49Å; P16-F123 WeakPolarHBondContact CG-O 3.37Å
17A96.1Very high94.1Very high60 Ų6060.6 Ų60.650%0.49633%0.331SS..Hα-helixtrans-60.4-43.5177.900000111.9A13 V14 F20 A21A13-A17 WeakPolarHBondContact O-CB 3.2Å; A13-A17 PolarHBondContact O-N 3.2Å; V14-A17 PolarHBondContact O-N 3.45Å; A17-F20 PolarHBondContact O-N 3.08Å; A17-A21 VanDerWaalsContact O-CB 3.28Å; A17-A21 WeakPolarHBondContact O-CB 2.99Å; A17-A21 PolarHBondContact O-N 2.88Å
18Y96.7Very high94.7Very high95 Ų9557.8 Ų57.837%0.37332%0.322SS..Hα-helixtrans-59.9-45.8173.6170.3-99.2000112V14 A15 P16 A21 A22 F123 I201 I205V14-Y18 WeakPolarHBondContact O-CB 3.4Å; V14-Y18 PolarHBondContact O-N 2.93Å; A15-Y18 PolarHBondContact O-N 3.37Å; P16-Y18 VanDerWaalsContact C-N 3.34Å; P16-Y18 PolarHBondContact O-N 2.82Å; Y18-A21 PolarHBondContact O-N 2.74Å; Y18-A22 WeakPolarHBondContact O-CB 3.45Å; Y18-A22 PolarHBondContact O-N 2.92Å; Y18-F123 HydrophobicContact CD1-CE1 4.07Å; Y18-F123 HydrophobicContact CE1-CE1 4.5Å; Y18-I201 WeakPolarHBondContact OH-CG2 3.45Å; Y18-I205 HydrophobicContact CE1-CD1 3.97Å; Y18-I205 HydrophobicContact CE1-CG1 4.4Å
19F96.1Very high95.3Very high15 Ų1555.7 Ų55.77%0.06631%0.311CS..Hα-helixtrans-57.4-52.3176.8170.6-107.1000111.5A15 P16 A21 A22 T23 L65 Y68 F123 F139A15-F19 PolarHBondContact O-N 3.09Å; P16-F19 WeakPolarHBondContact O-CB 3.49Å; P16-F19 PolarHBondContact O-N 2.81Å; F19-A21 PolarHBondContact O-N 2.69Å; F19-A22 PolarHBondContact O-N 3.38Å; F19-T23 PolarHBondContact O-N 3.49Å; F19-T23 PolarHBondContact O-OG1 3.31Å; F19-T23 VanDerWaalsContact O-OG1 3.04Å; F19-L65 HydrophobicContact CE1-CD2 3.99Å; F19-L65 HydrophobicContact CZ-CD2 3.99Å; F19-Y68 HydrophobicContact CD1-CD2 4.15Å; F19-Y68 AromaticContact CD1-CE2 3.81Å; F19-Y68 HydrophobicContact CD1-CE2 3.81Å; F19-Y68 HydrophobicContact CE1-CD1 4.38Å; F19-Y68 AromaticContact CE1-CD2 3.65Å; F19-Y68 HydrophobicContact CE1-CD2 3.65Å; F19-Y68 AromaticContact CE1-CE2 3.79Å; F19-Y68 HydrophobicContact CE1-CE2 3.79Å; F19-Y68 AromaticContact CE1-CG 3.97Å; F19-Y68 HydrophobicContact CE1-CG 3.97Å; F19-Y68 HydrophobicContact CZ-CD2 4.09Å; F19-Y68 HydrophobicContact CZ-CG 4.45Å; F19-F123 HydrophobicContact CB-CD1 4.39Å; F19-F139 HydrophobicContact CD2-CZ 4.43Å; F19-F139 HydrophobicContact CE1-CE2 4.49Å; F19-F139 AromaticContact CE2-CE2 3.65Å; F19-F139 HydrophobicContact CE2-CE2 3.65Å; F19-F139 AromaticContact CE2-CZ 3.96Å; F19-F139 HydrophobicContact CE2-CZ 3.96Å; F19-F139 AromaticContact CZ-CE2 3.63Å; F19-F139 HydrophobicContact CZ-CE2 3.63Å; F19-F139 HydrophobicContact CZ-CZ 4.21Å
20F97.1Very high95.9Very high90 Ų9049.9 Ų49.940%0.39529%0.289SS..Hα-helixtrans-66.3-35.6-180-73-64.6000113.5P16 A17 T23 T24 L65 Y68P16-F20 HydrophobicContact CB-CE2 4.49Å; P16-F20 WeakPolarHBondContact O-CD2 3.13Å; P16-F20 PolarHBondContact O-N 2.73Å; A17-F20 PolarHBondContact O-N 3.08Å; F20-T23 PolarHBondContact O-N 3.26Å; F20-T24 WeakPolarHBondContact O-CB 3.26Å; F20-T24 PolarHBondContact O-N 3.42Å; F20-T24 PolarHBondContact O-OG1 3.11Å; F20-L65 HydrophobicContact CE1-CD2 4.49Å; F20-Y68 HydrophobicContact CE1-CE1 4.45Å; F20-Y68 HydrophobicContact CE2-CE1 4.05Å; F20-Y68 HydrophobicContact CZ-CD1 4.2Å; F20-Y68 AromaticContact CZ-CE1 3.52Å; F20-Y68 HydrophobicContact CZ-CE1 3.52Å; F20-Y68 AromaticContact CZ-CZ 3.98Å
21A97.9Very high96.2Very high61 Ų6148 Ų4850%0.50428%0.277SS..Hα-helixtrans-63.1-47.2174.300000111.2A17 Y18 F19 T23 T24 A25A17-A21 VanDerWaalsContact O-CB 3.28Å; A17-A21 WeakPolarHBondContact O-CB 2.99Å; A17-A21 PolarHBondContact O-N 2.88Å; Y18-A21 PolarHBondContact O-N 2.74Å; F19-A21 PolarHBondContact O-N 2.69Å; A21-T23 PolarHBondContact O-N 2.88Å; A21-T24 PolarHBondContact O-N 3.36Å; A21-A25 WeakPolarHBondContact O-CB 3.33Å; A21-A25 PolarHBondContact O-N 3.31Å
22A97.6Very high96.5Very high13 Ų1348.3 Ų48.311%0.10729%0.285CS..Hα-helixtrans-62.8-42176.400000111.8Y18 F19 T26 I205Y18-A22 WeakPolarHBondContact O-CB 3.45Å; Y18-A22 PolarHBondContact O-N 2.92Å; F19-A22 PolarHBondContact O-N 3.38Å; A22-T26 WeakPolarHBondContact O-CB 3.27Å; A22-T26 PolarHBondContact O-N 3.39Å; A22-T26 PolarHBondContact O-OG1 2.85Å; A22-I205 HydrophobicContact CB-CD1 4.39Å
23T98Very high96.8Very high21 Ų2148.3 Ų48.313%0.12928%0.284CS..Hα-helixtrans-60-47.1174.5-62.10000111.8F19 F20 A21 T26 F27 M61 L65F19-T23 PolarHBondContact O-N 3.49Å; F19-T23 PolarHBondContact O-OG1 3.31Å; F19-T23 VanDerWaalsContact O-OG1 3.04Å; F20-T23 PolarHBondContact O-N 3.26Å; A21-T23 PolarHBondContact O-N 2.88Å; T23-T26 WeakPolarHBondContact O-CB 3.5Å; T23-T26 PolarHBondContact O-N 3.24Å; T23-F27 PolarHBondContact O-N 3.36Å; T23-M61 HydrophobicContact CG2-CE 4.21Å; T23-M61 HydrophobicContact CG2-SD 3.76Å; T23-L65 HydrophobicContact CG2-CD1 4.28Å; T23-L65 HydrophobicContact CG2-CD2 4.2Å
24T98.3Very high97.1Very high81 Ų8145.3 Ų45.350%0.49726%0.26SS..Hα-helixtrans-62.8-48.1-179.5-56.10000110.7F20 A21 T26 F27 I28F20-T24 WeakPolarHBondContact O-CB 3.26Å; F20-T24 PolarHBondContact O-N 3.42Å; F20-T24 PolarHBondContact O-OG1 3.11Å; A21-T24 PolarHBondContact O-N 3.36Å; T24-T26 VanDerWaalsContact C-N 3.29Å; T24-T26 PolarHBondContact O-N 3.3Å; T24-F27 PolarHBondContact O-N 3.02Å; T24-I28 HydrophobicContact CG2-CD1 4.02Å; T24-I28 WeakPolarHBondContact O-CG1 3.2Å; T24-I28 PolarHBondContact O-N 2.92Å
25A98.4Very high97Very high20 Ų2042.4 Ų42.417%0.16524%0.241CC..Hα-helixtrans-56.5-45.6174.300000111.2A21 F27 I28 L29 F194 M198A21-A25 WeakPolarHBondContact O-CB 3.33Å; A21-A25 PolarHBondContact O-N 3.31Å; A25-F27 VanDerWaalsContact C-N 3.34Å; A25-F27 PolarHBondContact O-N 2.85Å; A25-I28 PolarHBondContact O-N 3.37Å; A25-L29 WeakPolarHBondContact O-CB 3.2Å; A25-L29 WeakPolarHBondContact O-CG 3.43Å; A25-L29 PolarHBondContact O-N 3.28Å; A25-F194 HydrophobicContact CB-CZ 4.03Å; A25-M198 HydrophobicContact CB-CE 4.28Å; A25-M198 HydrophobicContact CB-SD 4.31Å
26T98.4Very high97Very high5 Ų544.7 Ų44.73%0.03126%0.255CS..Hα-helixtrans-59.3-44.3178.5-54.80000111.9A22 T23 T24 L29 H30 F57 M61 S150 W202A22-T26 WeakPolarHBondContact O-CB 3.27Å; A22-T26 PolarHBondContact O-N 3.39Å; A22-T26 PolarHBondContact O-OG1 2.85Å; T23-T26 WeakPolarHBondContact O-CB 3.5Å; T23-T26 PolarHBondContact O-N 3.24Å; T24-T26 VanDerWaalsContact C-N 3.29Å; T24-T26 PolarHBondContact O-N 3.3Å; T26-L29 PolarHBondContact O-N 2.79Å; T26-H30 PolarHBondContact O-N 2.73Å; T26-H30 PolarHBondContact O-ND1 3.23Å; T26-F57 HydrophobicContact CG2-CE2 4.02Å; T26-F57 HydrophobicContact CG2-CZ 4.14Å; T26-M61 HydrophobicContact CG2-CE 4.36Å; T26-S150 VanDerWaalsContact CG2-OG 3.29Å; T26-S150 WeakPolarHBondContact CG2-OG 3.42Å; T26-W202 HydrophobicContact CG2-CZ2 3.95Å; T26-W202 PolarHBondContact OG1-NE1 3.13Å
27F97.9Very high96.8Very high87 Ų8745.5 Ų45.538%0.38226%0.259SS..Hα-helixtrans-63.2-46.7178.4-157.3-82.7000111.4T23 T24 A25 L29 H30 F31 F57 L58T23-F27 PolarHBondContact O-N 3.36Å; T24-F27 PolarHBondContact O-N 3.02Å; A25-F27 VanDerWaalsContact C-N 3.34Å; A25-F27 PolarHBondContact O-N 2.85Å; F27-L29 PolarHBondContact O-N 3.13Å; F27-H30 PolarHBondContact O-N 3.39Å; F27-F31 AromaticContact CD1-CD2 3.52Å; F27-F31 HydrophobicContact CD1-CD2 3.52Å; F27-F31 AromaticContact CD1-CE2 3.83Å; F27-F31 HydrophobicContact CD1-CE2 3.83Å; F27-F31 HydrophobicContact CD2-CE2 4.11Å; F27-F31 AromaticContact CE1-CD2 3.34Å; F27-F31 HydrophobicContact CE1-CD2 3.34Å; F27-F31 AromaticContact CE1-CE2 3.38Å; F27-F31 HydrophobicContact CE1-CE2 3.38Å; F27-F31 HydrophobicContact CE1-CG 4.43Å; F27-F31 HydrophobicContact CE1-CZ 4.48Å; F27-F31 HydrophobicContact CE2-CD2 4.4Å; F27-F31 AromaticContact CE2-CE2 3.7Å; F27-F31 HydrophobicContact CE2-CE2 3.7Å; F27-F31 HydrophobicContact CG-CD2 4.13Å; F27-F31 HydrophobicContact CG-CE2 4.17Å; F27-F31 AromaticContact CZ-CD2 3.83Å; F27-F31 HydrophobicContact CZ-CD2 3.83Å; F27-F31 AromaticContact CZ-CE2 3.31Å; F27-F31 HydrophobicContact CZ-CE2 3.31Å; F27-F31 HydrophobicContact CZ-CZ 4.2Å; F27-F31 WeakPolarHBondContact O-CD2 3.25Å; F27-F31 PolarHBondContact O-N 3.43Å; F27-F57 AromaticContact CD2-CE1 3.8Å; F27-F57 HydrophobicContact CD2-CE1 3.8Å; F27-F57 HydrophobicContact CD2-CZ 4.34Å; F27-F57 HydrophobicContact CE2-CE1 4.16Å; F27-F57 HydrophobicContact CG-CE1 4.39Å; F27-L58 HydrophobicContact CE2-CD2 3.93Å; F27-L58 HydrophobicContact CZ-CD2 4.06Å
28I98.4Very high96.7Very high92 Ų9244.4 Ų44.447%0.47225%0.245SC..Hα-helixtrans-59.4-49.1176.4-67168.8000110.3T24 A25 H30 F31 C32T24-I28 HydrophobicContact CG2-CD1 4.02Å; T24-I28 WeakPolarHBondContact O-CG1 3.2Å; T24-I28 PolarHBondContact O-N 2.92Å; A25-I28 PolarHBondContact O-N 3.37Å; I28-H30 VanDerWaalsContact C-N 3.3Å; I28-H30 PolarHBondContact O-N 2.86Å; I28-F31 PolarHBondContact O-N 3.3Å; I28-C32 HydrophobicContact CG2-CB 4.34Å; I28-C32 WeakPolarHBondContact O-CB 3.41Å; I28-C32 PolarHBondContact O-N 3.47Å
29L98.3Very high96.3Very high5 Ų541.3 Ų41.33%0.02623%0.233CC..Hα-helixtrans-59.6-40.2-179.6-69.4176.3000112.1A25 T26 F27 L33 F34 F194 L195 M198 W202A25-L29 WeakPolarHBondContact O-CB 3.2Å; A25-L29 WeakPolarHBondContact O-CG 3.43Å; A25-L29 PolarHBondContact O-N 3.28Å; T26-L29 PolarHBondContact O-N 2.79Å; F27-L29 PolarHBondContact O-N 3.13Å; L29-L33 HydrophobicContact CD2-CD1 3.55Å; L29-L33 HydrophobicContact CD2-CG 4.47Å; L29-L33 WeakPolarHBondContact O-CA 2.96Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3.26Å; L29-L33 VanDerWaalsContact O-N 3.11Å; L29-F34 HydrophobicContact CB-CE1 4.41Å; L29-F34 HydrophobicContact CB-CE2 4.3Å; L29-F34 HydrophobicContact CB-CZ 4.14Å; L29-F34 WeakPolarHBondContact O-CG 3.35Å; L29-F34 PolarHBondContact O-N 3.28Å; L29-F194 HydrophobicContact CD1-CE1 4.05Å; L29-F194 HydrophobicContact CD2-CE1 4.12Å; L29-F194 HydrophobicContact CG-CE1 4.38Å; L29-L195 HydrophobicContact CD1-CD2 4.22Å; L29-L195 HydrophobicContact CD2-CD2 3.6Å; L29-L195 HydrophobicContact CG-CD2 4.48Å; L29-M198 HydrophobicContact CD1-CB 4.17Å; L29-M198 HydrophobicContact CD1-CE 4.47Å; L29-M198 HydrophobicContact CD1-CG 3.91Å; L29-W202 HydrophobicContact CD1-CH2 3.68Å; L29-W202 HydrophobicContact CD1-CZ2 3.82Å
30H97.4Very high95.7Very high3 Ų344.9 Ų44.91%0.01426%0.258CS..Iπ-helixtrans-63-53.3178.4-82.666.3000112.4T26 F27 I28 F34 I35 F57 Y149 S150T26-H30 PolarHBondContact O-N 2.73Å; T26-H30 PolarHBondContact O-ND1 3.23Å; F27-H30 PolarHBondContact O-N 3.39Å; I28-H30 VanDerWaalsContact C-N 3.3Å; I28-H30 PolarHBondContact O-N 2.86Å; H30-F34 AromaticContact CE1-CD2 3.97Å; H30-F34 AromaticContact ND1-CD2 3.97Å; H30-F34 PolarHBondContact O-N 2.92Å; H30-I35 WeakPolarHBondContact O-CG1 3.49Å; H30-I35 PolarHBondContact O-N 3.44Å; H30-F57 HydrophobicContact CB-CD1 4.36Å; H30-F57 HydrophobicContact CB-CE1 4.05Å; H30-F57 HydrophobicContact CB-CE2 4.47Å; H30-F57 HydrophobicContact CB-CZ 4.1Å; H30-F57 AromaticContact CD2-CD2 3.31Å; H30-F57 WeakPolarHBondContact CD2-CD2 3.47Å; H30-F57 AromaticContact CD2-CE2 3.49Å; H30-F57 VanDerWaalsContact CD2-CE2 3.49Å; H30-F57 WeakPolarHBondContact CD2-CE2 3.42Å; H30-F57 AromaticContact CD2-CG 3.67Å; H30-F57 AromaticContact CD2-CZ 3.99Å; H30-F57 AromaticContact CE1-CD2 3.94Å; H30-F57 AromaticContact CE1-CE2 3.49Å; H30-F57 VanDerWaalsContact CE1-CE2 3.49Å; H30-F57 WeakPolarHBondContact CE1-CE2 3.47Å; H30-F57 AromaticContact CG-CD2 3.87Å; H30-F57 AromaticContact CG-CE2 3.59Å; H30-F57 AromaticContact CG-CZ 3.65Å; H30-F57 AromaticContact ND1-CE2 3.58Å; H30-F57 AromaticContact ND1-CZ 3.76Å; H30-F57 AromaticContact NE2-CD2 3.38Å; H30-F57 WeakPolarHBondContact NE2-CD2 3.22Å; H30-F57 AromaticContact NE2-CE2 3.43Å; H30-F57 WeakPolarHBondContact NE2-CE2 3.48Å; H30-Y149 AromaticContact NE2-CD1 3.99Å; H30-S150 PolarHBondContact CE1-OG 2.9Å
31F96.5Very high94.8Very high64 Ų6445.5 Ų45.528%0.28127%0.265SS..Iπ-helixtrans-84.2-30.1-170.7-71.3-70.3000113.6F27 I28 P36 T54 F57 L58F27-F31 AromaticContact CD1-CD2 3.52Å; F27-F31 HydrophobicContact CD1-CD2 3.52Å; F27-F31 AromaticContact CD1-CE2 3.83Å; F27-F31 HydrophobicContact CD1-CE2 3.83Å; F27-F31 HydrophobicContact CD2-CE2 4.11Å; F27-F31 AromaticContact CE1-CD2 3.34Å; F27-F31 HydrophobicContact CE1-CD2 3.34Å; F27-F31 AromaticContact CE1-CE2 3.38Å; F27-F31 HydrophobicContact CE1-CE2 3.38Å; F27-F31 HydrophobicContact CE1-CG 4.43Å; F27-F31 HydrophobicContact CE1-CZ 4.48Å; F27-F31 HydrophobicContact CE2-CD2 4.4Å; F27-F31 AromaticContact CE2-CE2 3.7Å; F27-F31 HydrophobicContact CE2-CE2 3.7Å; F27-F31 HydrophobicContact CG-CD2 4.13Å; F27-F31 HydrophobicContact CG-CE2 4.17Å; F27-F31 AromaticContact CZ-CD2 3.83Å; F27-F31 HydrophobicContact CZ-CD2 3.83Å; F27-F31 AromaticContact CZ-CE2 3.31Å; F27-F31 HydrophobicContact CZ-CE2 3.31Å; F27-F31 HydrophobicContact CZ-CZ 4.2Å; F27-F31 WeakPolarHBondContact O-CD2 3.25Å; F27-F31 PolarHBondContact O-N 3.43Å; I28-F31 PolarHBondContact O-N 3.3Å; F31-P36 WeakPolarHBondContact O-CD 3.3Å; F31-P36 WeakPolarHBondContact O-CG 3.36Å; F31-T54 HydrophobicContact CE1-CG2 3.77Å; F31-T54 HydrophobicContact CZ-CG2 4.21Å; F31-F57 AromaticContact CE2-CD1 3.86Å; F31-F57 HydrophobicContact CE2-CD1 3.86Å; F31-F57 AromaticContact CE2-CE1 3.74Å; F31-F57 HydrophobicContact CE2-CE1 3.74Å; F31-F57 HydrophobicContact CZ-CD1 4.03Å; F31-F57 HydrophobicContact CZ-CE1 4.39Å; F31-L58 HydrophobicContact CE2-CD2 4.2Å; F31-L58 HydrophobicContact CZ-CD1 4.48Å; F31-L58 HydrophobicContact CZ-CD2 3.83Å; F31-L58 HydrophobicContact CZ-CG 4.1Å
32C96.8Very high93.3Very high84 Ų8447.5 Ų47.557%0.56827%0.273SS*.Iπ-helixtrans-91.7-26.9-178.5-59.10000113I28I28-C32 HydrophobicContact CG2-CB 4.34Å; I28-C32 WeakPolarHBondContact O-CB 3.41Å; I28-C32 PolarHBondContact O-N 3.47Å
33L96.4Very high92.3Very high39 Ų3951.8 Ų51.820%0.20429%0.294CS..Iπ-helixtrans-121.8-58.3-175.1-57-177.4000112.8L29 P36 T37 F157 L191 L195L29-L33 HydrophobicContact CD2-CD1 3.55Å; L29-L33 HydrophobicContact CD2-CG 4.47Å; L29-L33 WeakPolarHBondContact O-CA 2.96Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3.26Å; L29-L33 VanDerWaalsContact O-N 3.11Å; L33-P36 WeakPolarHBondContact O-CD 3.36Å; L33-T37 VanDerWaalsContact O-CB 3.23Å; L33-T37 WeakPolarHBondContact O-CB 3.15Å; L33-T37 PolarHBondContact O-N 2.98Å; L33-T37 PolarHBondContact O-OG1 3.43Å; L33-T37 VanDerWaalsContact O-OG1 3.11Å; L33-F157 HydrophobicContact CB-CD2 4.42Å; L33-F157 HydrophobicContact CB-CE2 3.77Å; L33-F157 HydrophobicContact CB-CZ 4.03Å; L33-F157 HydrophobicContact CD1-CZ 4.48Å; L33-L191 HydrophobicContact CD1-CD1 4.18Å; L33-L195 HydrophobicContact CD1-CD2 4.31Å
34F96.8Very high91.1Very high0 Ų056.6 Ų56.60%032%0.324CS..Iπ-helixtrans-67-53.5-167.9-61.3-11.1000112.7L29 H30 I38 L153 G154 F157 L195 W202L29-F34 HydrophobicContact CB-CE1 4.41Å; L29-F34 HydrophobicContact CB-CE2 4.3Å; L29-F34 HydrophobicContact CB-CZ 4.14Å; L29-F34 WeakPolarHBondContact O-CG 3.35Å; L29-F34 PolarHBondContact O-N 3.28Å; H30-F34 AromaticContact CE1-CD2 3.97Å; H30-F34 AromaticContact ND1-CD2 3.97Å; H30-F34 PolarHBondContact O-N 2.92Å; F34-I38 HydrophobicContact CB-CD1 4.27Å; F34-I38 VanDerWaalsContact O-CB 3.25Å; F34-I38 WeakPolarHBondContact O-CB 3.42Å; F34-I38 VanDerWaalsContact O-CG1 3.23Å; F34-I38 WeakPolarHBondContact O-CG1 3.37Å; F34-I38 PolarHBondContact O-N 3.33Å; F34-L153 HydrophobicContact CD2-CB 3.77Å; F34-L153 HydrophobicContact CE2-CB 4.3Å; F34-L153 HydrophobicContact CG-CB 4.4Å; F34-G154 VanDerWaalsContact CZ-CA 3.44Å; F34-F157 HydrophobicContact CD1-CB 3.57Å; F34-F157 HydrophobicContact CD1-CD1 4.23Å; F34-F157 AromaticContact CD1-CD2 3.67Å; F34-F157 HydrophobicContact CD1-CD2 3.67Å; F34-F157 HydrophobicContact CD1-CE2 4.42Å; F34-F157 AromaticContact CD1-CG 3.54Å; F34-F157 HydrophobicContact CD1-CG 3.54Å; F34-F157 HydrophobicContact CE1-CB 3.74Å; F34-F157 AromaticContact CE1-CD1 4Å; F34-F157 HydrophobicContact CE1-CD1 4Å; F34-F157 HydrophobicContact CE1-CD2 4.27Å; F34-F157 AromaticContact CE1-CG 3.73Å; F34-F157 HydrophobicContact CE1-CG 3.73Å; F34-F157 HydrophobicContact CG-CB 4.4Å; F34-L195 HydrophobicContact CE1-CD2 3.89Å; F34-L195 HydrophobicContact CZ-CD2 4.26Å; F34-W202 AromaticContact CE2-CH2 3.65Å; F34-W202 HydrophobicContact CE2-CH2 3.65Å; F34-W202 HydrophobicContact CE2-CZ3 4.07Å; F34-W202 AromaticContact CZ-CH2 3.62Å; F34-W202 HydrophobicContact CZ-CH2 3.62Å; F34-W202 AromaticContact CZ-CZ3 3.97Å; F34-W202 HydrophobicContact CZ-CZ3 3.97Å
35I94.2Very high90.1Very high23 Ų2357 Ų5712%0.11833%0.33CS..Hα-helixtrans-63.3-48.6-178.4-63.3-64.3000111.5H30 T37 F39 H53H30-I35 WeakPolarHBondContact O-CG1 3.49Å; H30-I35 PolarHBondContact O-N 3.44Å; I35-T37 PolarHBondContact O-N 3.18Å; I35-F39 HydrophobicContact CD1-CD2 4.16Å; I35-F39 HydrophobicContact CD1-CE2 4.12Å; I35-F39 WeakPolarHBondContact O-CB 3.3Å; I35-F39 PolarHBondContact O-N 2.77Å; I35-H53 HydrophobicContact CD1-CB 3.77Å
36P93.4Very high89Confident61 Ų6158.8 Ų58.840%0.39634%0.336SS..Hα-helixtrans-63.4-37.9179.3-2435.4000114.2F31 L33 P40F31-P36 WeakPolarHBondContact O-CD 3.3Å; F31-P36 WeakPolarHBondContact O-CG 3.36Å; L33-P36 WeakPolarHBondContact O-CD 3.36Å; P36-P40 WeakPolarHBondContact O-CA 3.36Å
37T93.1Very high88.1Confident37 Ų3766.8 Ų66.823%0.22737%0.366CS..Hα-helixtrans-80.6-39.7-176.8-63.10000112.7L33 I35 F157 V160 E161L33-T37 VanDerWaalsContact O-CB 3.23Å; L33-T37 WeakPolarHBondContact O-CB 3.15Å; L33-T37 PolarHBondContact O-N 2.98Å; L33-T37 PolarHBondContact O-OG1 3.43Å; L33-T37 VanDerWaalsContact O-OG1 3.11Å; I35-T37 PolarHBondContact O-N 3.18Å; T37-F157 HydrophobicContact CG2-CD2 3.9Å; T37-F157 HydrophobicContact CG2-CE2 3.73Å; T37-F157 WeakPolarHBondContact OG1-CE2 3.4Å; T37-V160 HydrophobicContact CG2-CG1 4.09Å; T37-E161 HydrophobicContact CG2-CB 4.42Å
38I92.3Very high87.4Confident36 Ų3666.2 Ų66.219%0.18537%0.373CS..Hα-helixtrans-76.5-30-179.6-60.7168.8000110.8F34 P40 L153 A156 F157F34-I38 HydrophobicContact CB-CD1 4.27Å; F34-I38 VanDerWaalsContact O-CB 3.25Å; F34-I38 WeakPolarHBondContact O-CB 3.42Å; F34-I38 VanDerWaalsContact O-CG1 3.23Å; F34-I38 WeakPolarHBondContact O-CG1 3.37Å; F34-I38 PolarHBondContact O-N 3.33Å; I38-P40 VanDerWaalsContact C-CD 3.45Å; I38-P40 WeakPolarHBondContact O-CD 3.35Å; I38-L153 HydrophobicContact CD1-CD2 4.12Å; I38-A156 HydrophobicContact CD1-CB 3.93Å; I38-F157 HydrophobicContact CD1-CB 4.36Å
39F90Very high86.9Confident31 Ų3163.5 Ų63.514%0.13636%0.362CS..SBendtrans-126.565.1-178.6-49.9-72.4000111.9I35 N41 L46 S49 H53I35-F39 HydrophobicContact CD1-CD2 4.16Å; I35-F39 HydrophobicContact CD1-CE2 4.12Å; I35-F39 WeakPolarHBondContact O-CB 3.3Å; I35-F39 PolarHBondContact O-N 2.77Å; F39-N41 PolarHBondContact O-N 3.31Å; F39-L46 HydrophobicContact CD1-CD2 3.97Å; F39-S49 WeakPolarHBondContact CE1-OG 3.27Å; F39-H53 HydrophobicContact CE2-CB 4.32Å; F39-H53 AromaticContact CE2-CD2 3.83Å; F39-H53 AromaticContact CE2-CG 3.99Å; F39-H53 AromaticContact CZ-CD2 3.43Å; F39-H53 VanDerWaalsContact CZ-CD2 3.43Å; F39-H53 WeakPolarHBondContact CZ-CD2 3.49Å; F39-H53 AromaticContact CZ-NE2 3.62Å
40P82.5Confident86.5Confident89 Ų8964.6 Ų64.658%0.57837%0.37SS*.  trans-73.7-28.7-167.828.1-35000114.6P36 I38P36-P40 WeakPolarHBondContact O-CA 3.36Å; I38-P40 VanDerWaalsContact C-CD 3.45Å; I38-P40 WeakPolarHBondContact O-CD 3.35Å
41N79.2Confident86.2Confident103 Ų10366.8 Ų66.855%0.55139%0.389SS*.SBendtrans-115132.6-174.8-72-33.1000112.4F39 D43 L46F39-N41 PolarHBondContact O-N 3.31Å; N41-D43 VanDerWaalsContact C-N 3.25Å; N41-D43 PolarHBondContact O-N 2.74Å; N41-L46 VanDerWaalsContact O-CB 3.27Å; N41-L46 WeakPolarHBondContact O-CB 3.45Å
42P65.7Low86.1Confident104 Ų10468.8 Ų68.868%0.67540%0.402SS*.  trans-86.855.2-177.836.9-36.1000111.9
43D76.4Confident86Confident103 Ų10367 Ų6755%0.55139%0.385SS*.  trans-67.5153.2160.2-66.5-31.1000108.8N41 S45 L46 R47N41-D43 VanDerWaalsContact C-N 3.25Å; N41-D43 PolarHBondContact O-N 2.74Å; D43-S45 PolarHBondContact O-N 3.2Å; D43-S45 VanDerWaalsContact O-N 3.09Å; D43-L46 HydrophobicContact CB-CD1 4.29Å; D43-L46 PolarHBondContact O-N 3.03Å; D43-R47 WeakPolarHBondContact O-CB 3.32Å; D43-R47 PolarHBondContact O-N 3.01Å
44T73.9Confident86Confident122 Ų12266.8 Ų66.875%0.74839%0.386SS*.Hα-helixtrans-55.2-36.9-170.2-48.10000113.5S48T44-S48 PolarHBondContact O-N 3.49Å; T44-S48 PolarHBondContact O-OG 3.5Å
45S76.4Confident86Confident89 Ų8971.1 Ų71.162%0.62241%0.412SS*.Hα-helixtrans-70.5-47.3176.554.90000112.5D43 R47 S48 S49D43-S45 PolarHBondContact O-N 3.2Å; D43-S45 VanDerWaalsContact O-N 3.09Å; S45-R47 PolarHBondContact O-N 3.13Å; S45-S48 WeakPolarHBondContact O-CB 3.28Å; S45-S48 PolarHBondContact O-N 3.28Å; S45-S49 PolarHBondContact O-N 3.1Å
46L75.8Confident86.1Confident57 Ų5772.5 Ų72.530%0.29842%0.421SS..Hα-helixtrans-65.7-36.7178.7-81.3154.3000112.1F39 N41 D43 S48 S49 S50F39-L46 HydrophobicContact CD1-CD2 3.97Å; N41-L46 VanDerWaalsContact O-CB 3.27Å; N41-L46 WeakPolarHBondContact O-CB 3.45Å; D43-L46 HydrophobicContact CB-CD1 4.29Å; D43-L46 PolarHBondContact O-N 3.03Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 2.97Å; L46-S49 WeakPolarHBondContact O-CB 3.41Å; L46-S49 PolarHBondContact O-N 3.3Å; L46-S50 PolarHBondContact O-N 3.18Å; L46-S50 PolarHBondContact O-OG 3.24Å
47R78.8Confident86.4Confident173 Ų17369.7 Ų69.765%0.65340%0.403SS*.Hα-helixtrans-62.5-39.3173-168.2-179.9-159.1179.17.1112.1D43 S45 S49 S50 A51D43-R47 WeakPolarHBondContact O-CB 3.32Å; D43-R47 PolarHBondContact O-N 3.01Å; S45-R47 PolarHBondContact O-N 3.13Å; R47-S49 VanDerWaalsContact C-N 3.33Å; R47-S50 PolarHBondContact O-OG 3.4Å; R47-S50 VanDerWaalsContact O-OG 3.13Å; R47-A51 VanDerWaalsContact O-CB 3.27Å; R47-A51 WeakPolarHBondContact O-CB 3.33Å; R47-A51 PolarHBondContact O-N 2.93Å; R47-A51 VanDerWaalsContact O-N 3.07Å
48S82.8Confident86.6Confident76 Ų7671.5 Ų71.553%0.53141%0.411SS..Hα-helixtrans-67.8-37.5175.8-57.40000111T44 S45 L46 L52T44-S48 PolarHBondContact O-N 3.49Å; T44-S48 PolarHBondContact O-OG 3.5Å; S45-S48 WeakPolarHBondContact O-CB 3.28Å; S45-S48 PolarHBondContact O-N 3.28Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 2.97Å; S48-L52 VanDerWaalsContact O-CB 3.31Å; S48-L52 WeakPolarHBondContact O-CB 3.46Å; S48-L52 PolarHBondContact O-N 3.1Å
49S87.9Confident86.9Confident34 Ų3473.9 Ų73.924%0.23842%0.42CS..Hα-helixtrans-65.1-51.1174.4-171.90000112.3F39 S45 L46 R47 A51 L52 H53F39-S49 WeakPolarHBondContact CE1-OG 3.27Å; S45-S49 PolarHBondContact O-N 3.1Å; L46-S49 WeakPolarHBondContact O-CB 3.41Å; L46-S49 PolarHBondContact O-N 3.3Å; R47-S49 VanDerWaalsContact C-N 3.33Å; S49-A51 VanDerWaalsContact C-N 3.31Å; S49-A51 PolarHBondContact O-N 3.43Å; S49-L52 WeakPolarHBondContact O-CB 3.41Å; S49-L52 PolarHBondContact O-N 3.36Å; S49-L52 VanDerWaalsContact O-N 3.11Å; S49-H53 PolarHBondContact O-CD2 2.87Å; S49-H53 VanDerWaalsContact O-CD2 3.23Å; S49-H53 PolarHBondContact O-N 3.11Å
50S90.3Very high87.3Confident28 Ų2873.4 Ų73.420%0.19642%0.419CS..Hα-helixtrans-62.6-38.5-179.9640000112.3L46 R47 T54L46-S50 PolarHBondContact O-N 3.18Å; L46-S50 PolarHBondContact O-OG 3.24Å; R47-S50 PolarHBondContact O-OG 3.4Å; R47-S50 VanDerWaalsContact O-OG 3.13Å; S50-T54 VanDerWaalsContact O-CB 3.27Å; S50-T54 WeakPolarHBondContact O-CB 3.32Å; S50-T54 PolarHBondContact O-N 2.97Å; S50-T54 PolarHBondContact O-OG1 3.5Å
51A91.8Very high88Confident49 Ų4969.6 Ų69.641%0.40539%0.393SS..Hα-helixtrans-63.6-42.5172.500000112.3R47 S49 T54 T55R47-A51 VanDerWaalsContact O-CB 3.27Å; R47-A51 WeakPolarHBondContact O-CB 3.33Å; R47-A51 PolarHBondContact O-N 2.93Å; R47-A51 VanDerWaalsContact O-N 3.07Å; S49-A51 VanDerWaalsContact C-N 3.31Å; S49-A51 PolarHBondContact O-N 3.43Å; A51-T54 PolarHBondContact O-N 2.92Å; A51-T55 WeakPolarHBondContact O-CB 3.29Å; A51-T55 PolarHBondContact O-N 3.35Å; A51-T55 PolarHBondContact O-OG1 2.84Å
52L93.8Very high88.9Confident106 Ų10669.9 Ų69.956%0.55539%0.39SS*.Hα-helixtrans-61.5-51.4175.8176.765.7000111.1S48 S49 T54 T55 V56S48-L52 VanDerWaalsContact O-CB 3.31Å; S48-L52 WeakPolarHBondContact O-CB 3.46Å; S48-L52 PolarHBondContact O-N 3.1Å; S49-L52 WeakPolarHBondContact O-CB 3.41Å; S49-L52 PolarHBondContact O-N 3.36Å; S49-L52 VanDerWaalsContact O-N 3.11Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.16Å; L52-T55 PolarHBondContact O-N 2.8Å; L52-T55 VanDerWaalsContact O-N 3.15Å; L52-V56 HydrophobicContact CD1-CG2 4.17Å; L52-V56 HydrophobicContact CG-CG2 4.48Å; L52-V56 WeakPolarHBondContact O-CG2 3.22Å; L52-V56 PolarHBondContact O-N 3.29Å
53H94.9Very high90.5Very high47 Ų4764.9 Ų64.922%0.21836%0.358CS..Hα-helixtrans-60.9-41.2179.8-81.8-89.6000111.9I35 F39 S49 F57 Y149I35-H53 HydrophobicContact CD1-CB 3.77Å; F39-H53 HydrophobicContact CE2-CB 4.32Å; F39-H53 AromaticContact CE2-CD2 3.83Å; F39-H53 AromaticContact CE2-CG 3.99Å; F39-H53 AromaticContact CZ-CD2 3.43Å; F39-H53 VanDerWaalsContact CZ-CD2 3.43Å; F39-H53 WeakPolarHBondContact CZ-CD2 3.49Å; F39-H53 AromaticContact CZ-NE2 3.62Å; S49-H53 PolarHBondContact O-CD2 2.87Å; S49-H53 VanDerWaalsContact O-CD2 3.23Å; S49-H53 PolarHBondContact O-N 3.11Å; H53-F57 WeakPolarHBondContact O-CB 3.44Å; H53-F57 PolarHBondContact O-N 3.34Å; H53-Y149 WeakPolarHBondContact CA-OH 3.17Å; H53-Y149 WeakPolarHBondContact CB-OH 3.26Å; H53-Y149 VanDerWaalsContact CG-OH 3.29Å; H53-Y149 AromaticContact ND1-CZ 3.66Å; H53-Y149 PolarHBondContact ND1-OH 3.11Å; H53-Y149 PolarHBondContact O-OH 2.86Å
54T95.7Very high91.5Very high35 Ų3560.1 Ų60.122%0.21533%0.333CS..Hα-helixtrans-60.1-47.1173.4-63.20000111.6F31 S50 A51 L52 F57 L58F31-T54 HydrophobicContact CE1-CG2 3.77Å; F31-T54 HydrophobicContact CZ-CG2 4.21Å; S50-T54 VanDerWaalsContact O-CB 3.27Å; S50-T54 WeakPolarHBondContact O-CB 3.32Å; S50-T54 PolarHBondContact O-N 2.97Å; S50-T54 PolarHBondContact O-OG1 3.5Å; A51-T54 PolarHBondContact O-N 2.92Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.16Å; T54-F57 PolarHBondContact O-N 2.91Å; T54-L58 HydrophobicContact CG2-CD1 3.83Å; T54-L58 HydrophobicContact CG2-CG 4.38Å; T54-L58 WeakPolarHBondContact O-CB 3.26Å; T54-L58 VanDerWaalsContact O-CG 3.27Å; T54-L58 WeakPolarHBondContact O-CG 3.46Å; T54-L58 PolarHBondContact O-N 2.86Å
55T96.9Very high92.7Very high91 Ų9156.6 Ų56.656%0.55831%0.309SS*.Hα-helixtrans-64.3-45.2-178.8-58.30000111.4A51 L52 L58 F59A51-T55 WeakPolarHBondContact O-CB 3.29Å; A51-T55 PolarHBondContact O-N 3.35Å; A51-T55 PolarHBondContact O-OG1 2.84Å; L52-T55 PolarHBondContact O-N 2.8Å; L52-T55 VanDerWaalsContact O-N 3.15Å; T55-L58 PolarHBondContact O-N 2.84Å; T55-F59 VanDerWaalsContact O-CB 3.31Å; T55-F59 WeakPolarHBondContact O-CB 3.13Å; T55-F59 PolarHBondContact O-N 2.99Å
56V97.5Very high93.7Very high51 Ų5152.9 Ų52.931%0.30929%0.285SS..Hα-helixtrans-60.8-48.9177171.10000110.5L52 L58 F59 L60 Y149L52-V56 HydrophobicContact CD1-CG2 4.17Å; L52-V56 HydrophobicContact CG-CG2 4.48Å; L52-V56 WeakPolarHBondContact O-CG2 3.22Å; L52-V56 PolarHBondContact O-N 3.29Å; V56-L58 PolarHBondContact O-N 3.33Å; V56-F59 PolarHBondContact O-N 3.48Å; V56-L60 HydrophobicContact CG1-CD1 4Å; V56-L60 HydrophobicContact CG1-CG 4.41Å; V56-L60 VanDerWaalsContact O-CG 3.31Å; V56-L60 WeakPolarHBondContact O-CG 3.45Å; V56-L60 PolarHBondContact O-N 3.44Å; V56-Y149 HydrophobicContact CB-CE2 4.49Å; V56-Y149 HydrophobicContact CG1-CD2 4.22Å; V56-Y149 HydrophobicContact CG1-CE2 3.72Å
57F98.2Very high94.7Very high3 Ų350.2 Ų50.21%0.01327%0.271CS..Hα-helixtrans-59.9-47.9179.1178.4-105.8000112.2T26 F27 H30 F31 H53 T54 F59 L60 M61 V146 Y149T26-F57 HydrophobicContact CG2-CE2 4.02Å; T26-F57 HydrophobicContact CG2-CZ 4.14Å; F27-F57 AromaticContact CD2-CE1 3.8Å; F27-F57 HydrophobicContact CD2-CE1 3.8Å; F27-F57 HydrophobicContact CD2-CZ 4.34Å; F27-F57 HydrophobicContact CE2-CE1 4.16Å; F27-F57 HydrophobicContact CG-CE1 4.39Å; H30-F57 HydrophobicContact CB-CD1 4.36Å; H30-F57 HydrophobicContact CB-CE1 4.05Å; H30-F57 HydrophobicContact CB-CE2 4.47Å; H30-F57 HydrophobicContact CB-CZ 4.1Å; H30-F57 AromaticContact CD2-CD2 3.31Å; H30-F57 WeakPolarHBondContact CD2-CD2 3.47Å; H30-F57 AromaticContact CD2-CE2 3.49Å; H30-F57 VanDerWaalsContact CD2-CE2 3.49Å; H30-F57 WeakPolarHBondContact CD2-CE2 3.42Å; H30-F57 AromaticContact CD2-CG 3.67Å; H30-F57 AromaticContact CD2-CZ 3.99Å; H30-F57 AromaticContact CE1-CD2 3.94Å; H30-F57 AromaticContact CE1-CE2 3.49Å; H30-F57 VanDerWaalsContact CE1-CE2 3.49Å; H30-F57 WeakPolarHBondContact CE1-CE2 3.47Å; H30-F57 AromaticContact CG-CD2 3.87Å; H30-F57 AromaticContact CG-CE2 3.59Å; H30-F57 AromaticContact CG-CZ 3.65Å; H30-F57 AromaticContact ND1-CE2 3.58Å; H30-F57 AromaticContact ND1-CZ 3.76Å; H30-F57 AromaticContact NE2-CD2 3.38Å; H30-F57 WeakPolarHBondContact NE2-CD2 3.22Å; H30-F57 AromaticContact NE2-CE2 3.43Å; H30-F57 WeakPolarHBondContact NE2-CE2 3.48Å; F31-F57 AromaticContact CE2-CD1 3.86Å; F31-F57 HydrophobicContact CE2-CD1 3.86Å; F31-F57 AromaticContact CE2-CE1 3.74Å; F31-F57 HydrophobicContact CE2-CE1 3.74Å; F31-F57 HydrophobicContact CZ-CD1 4.03Å; F31-F57 HydrophobicContact CZ-CE1 4.39Å; H53-F57 WeakPolarHBondContact O-CB 3.44Å; H53-F57 PolarHBondContact O-N 3.34Å; T54-F57 PolarHBondContact O-N 2.91Å; F57-F59 VanDerWaalsContact C-N 3.34Å; F57-F59 PolarHBondContact O-N 3.19Å; F57-L60 PolarHBondContact O-N 3.33Å; F57-M61 HydrophobicContact CE1-CE 4.21Å; F57-M61 HydrophobicContact CE2-CE 3.72Å; F57-M61 HydrophobicContact CZ-CE 3.37Å; F57-M61 VanDerWaalsContact O-CB 3.3Å; F57-M61 WeakPolarHBondContact O-CB 3.42Å; F57-M61 PolarHBondContact O-N 3.29Å; F57-V146 HydrophobicContact CE2-CG1 4.33Å; F57-Y149 HydrophobicContact CB-CE1 4.03Å; F57-Y149 HydrophobicContact CD2-CD1 4.23Å; F57-Y149 HydrophobicContact CD2-CE1 4.44Å
58L98.1Very high95.6Very high75 Ų7542.4 Ų42.439%0.39324%0.241SC..Hα-helixtrans-63.2-39.5178.9-71176.2000112.1F27 F31 T54 T55 V56 M61 F62F27-L58 HydrophobicContact CE2-CD2 3.93Å; F27-L58 HydrophobicContact CZ-CD2 4.06Å; F31-L58 HydrophobicContact CE2-CD2 4.2Å; F31-L58 HydrophobicContact CZ-CD1 4.48Å; F31-L58 HydrophobicContact CZ-CD2 3.83Å; F31-L58 HydrophobicContact CZ-CG 4.1Å; T54-L58 HydrophobicContact CG2-CD1 3.83Å; T54-L58 HydrophobicContact CG2-CG 4.38Å; T54-L58 WeakPolarHBondContact O-CB 3.26Å; T54-L58 VanDerWaalsContact O-CG 3.27Å; T54-L58 WeakPolarHBondContact O-CG 3.46Å; T54-L58 PolarHBondContact O-N 2.86Å; T55-L58 PolarHBondContact O-N 2.84Å; V56-L58 PolarHBondContact O-N 3.33Å; L58-M61 PolarHBondContact O-N 3.03Å; L58-F62 WeakPolarHBondContact O-CB 3.47Å; L58-F62 PolarHBondContact O-N 3.31Å
59F98.3Very high96.2Very high85 Ų8543.6 Ų43.637%0.37324%0.241SC..Hα-helixtrans-62.3-47.7175.6170.9-98.9000112.2T55 V56 F57 N63 Y142 I258T55-F59 VanDerWaalsContact O-CB 3.31Å; T55-F59 WeakPolarHBondContact O-CB 3.13Å; T55-F59 PolarHBondContact O-N 2.99Å; V56-F59 PolarHBondContact O-N 3.48Å; F57-F59 VanDerWaalsContact C-N 3.34Å; F57-F59 PolarHBondContact O-N 3.19Å; F59-N63 WeakPolarHBondContact CE2-ND2 3.44Å; F59-N63 WeakPolarHBondContact CZ-ND2 3.28Å; F59-N63 PolarHBondContact O-N 3.28Å; F59-N63 VanDerWaalsContact O-N 3.1Å; F59-N63 PolarHBondContact O-ND2 3.25Å; F59-Y142 AromaticContact CE1-CE1 3.9Å; F59-Y142 HydrophobicContact CE1-CE1 3.9Å; F59-Y142 HydrophobicContact CZ-CE1 4.34Å; F59-I258 HydrophobicContact CE2-CG2 4.15Å
60L98.4Very high96.6Very high21 Ų2143 Ų4311%0.1123%0.234CC..Hα-helixtrans-63.8-43.7178.5-67.7176.5000111V56 F57 N63 A64 Y142 C145 V146 Y149V56-L60 HydrophobicContact CG1-CD1 4Å; V56-L60 HydrophobicContact CG1-CG 4.41Å; V56-L60 VanDerWaalsContact O-CG 3.31Å; V56-L60 WeakPolarHBondContact O-CG 3.45Å; V56-L60 PolarHBondContact O-N 3.44Å; F57-L60 PolarHBondContact O-N 3.33Å; L60-N63 PolarHBondContact O-N 2.91Å; L60-A64 WeakPolarHBondContact O-CB 3.18Å; L60-A64 PolarHBondContact O-N 3.42Å; L60-Y142 HydrophobicContact CD2-CD1 3.9Å; L60-Y142 HydrophobicContact CD2-CE1 4.02Å; L60-C145 HydrophobicContact CD1-CB 4.43Å; L60-C145 HydrophobicContact CD2-CB 3.91Å; L60-V146 HydrophobicContact CB-CG2 3.53Å; L60-Y149 HydrophobicContact CD1-CG 4.27Å
61M97.9Very high96.8Very high9 Ų941.7 Ų41.74%0.04423%0.225CC..Hα-helixtrans-67.1-42.6179.6-168.163.677.600112.1T23 T26 F57 L58 N63 A64 L65 V146T23-M61 HydrophobicContact CG2-CE 4.21Å; T23-M61 HydrophobicContact CG2-SD 3.76Å; T26-M61 HydrophobicContact CG2-CE 4.36Å; F57-M61 HydrophobicContact CE1-CE 4.21Å; F57-M61 HydrophobicContact CE2-CE 3.72Å; F57-M61 HydrophobicContact CZ-CE 3.37Å; F57-M61 VanDerWaalsContact O-CB 3.3Å; F57-M61 WeakPolarHBondContact O-CB 3.42Å; F57-M61 PolarHBondContact O-N 3.29Å; L58-M61 PolarHBondContact O-N 3.03Å; M61-N63 VanDerWaalsContact C-N 3.3Å; M61-N63 PolarHBondContact O-N 3.14Å; M61-A64 PolarHBondContact O-N 2.93Å; M61-L65 HydrophobicContact CG-CD1 3.98Å; M61-L65 HydrophobicContact CG-CG 4.43Å; M61-L65 WeakPolarHBondContact O-CB 3.37Å; M61-L65 PolarHBondContact O-N 3Å; M61-L65 HydrophobicContact SD-CD1 4.2Å; M61-L65 HydrophobicContact SD-CG 4.26Å; M61-V146 HydrophobicContact CE-CG1 3.71Å; M61-V146 HydrophobicContact SD-CG1 4.43Å
62F98.2Very high96.9Very high109 Ų10942.6 Ų42.648%0.47822%0.222SC..Hα-helixtrans-56.4-45.8174.6170.2-102.1000111.1L58 G66 L259 P260L58-F62 WeakPolarHBondContact O-CB 3.47Å; L58-F62 PolarHBondContact O-N 3.31Å; F62-G66 WeakPolarHBondContact O-CA 3.46Å; F62-G66 PolarHBondContact O-N 3.03Å; F62-L259 HydrophobicContact CE1-CD2 3.94Å; F62-P260 VanDerWaalsContact CE1-CD 3.4Å; F62-P260 HydrophobicContact CE1-CG 3.85Å; F62-P260 HydrophobicContact CZ-CG 3.87Å
63N98.3Very high96.8Very high0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-71.6-37.7178.8-88.8-71.8000113.2F59 L60 M61 N67 Y142 I258F59-N63 WeakPolarHBondContact CE2-ND2 3.44Å; F59-N63 WeakPolarHBondContact CZ-ND2 3.28Å; F59-N63 PolarHBondContact O-N 3.28Å; F59-N63 VanDerWaalsContact O-N 3.1Å; F59-N63 PolarHBondContact O-ND2 3.25Å; L60-N63 PolarHBondContact O-N 2.91Å; M61-N63 VanDerWaalsContact C-N 3.3Å; M61-N63 PolarHBondContact O-N 3.14Å; N63-N67 VanDerWaalsContact O-CB 3.3Å; N63-N67 WeakPolarHBondContact O-CB 3.32Å; N63-N67 PolarHBondContact O-N 3.42Å; N63-N67 PolarHBondContact O-ND2 3.44Å; N63-Y142 HydrophobicContact CB-CD1 3.46Å; N63-Y142 VanDerWaalsContact CB-CD1 3.46Å; N63-Y142 HydrophobicContact CB-CD2 3.56Å; N63-Y142 HydrophobicContact CB-CE1 3.55Å; N63-Y142 HydrophobicContact CB-CE2 3.62Å; N63-Y142 HydrophobicContact CB-CG 3.47Å; N63-Y142 VanDerWaalsContact CB-CG 3.47Å; N63-I258 PolarHBondContact ND2-O 3.47Å; N63-I258 PolarHBondContact OD1-O 2.88Å; N63-I258 VanDerWaalsContact OD1-O 3.11Å
64A98.1Very high96.5Very high3 Ų344.4 Ų44.43%0.02522%0.224CC..Hα-helixtrans-61.5-53175.700000111.1L60 M61 Y68 V146L60-A64 WeakPolarHBondContact O-CB 3.18Å; L60-A64 PolarHBondContact O-N 3.42Å; M61-A64 PolarHBondContact O-N 2.93Å; A64-Y68 WeakPolarHBondContact O-CB 3.41Å; A64-Y68 PolarHBondContact O-N 3.17Å; A64-V146 HydrophobicContact CB-CG2 4.26Å
65L98.1Very high95.9Very high47 Ų4744.8 Ų44.825%0.24623%0.227CC..Hα-helixtrans-70.8-39.6-179.4-68.1176.9000112.6F19 F20 T23 M61 Y68 I69F19-L65 HydrophobicContact CE1-CD2 3.99Å; F19-L65 HydrophobicContact CZ-CD2 3.99Å; F20-L65 HydrophobicContact CE1-CD2 4.49Å; T23-L65 HydrophobicContact CG2-CD1 4.28Å; T23-L65 HydrophobicContact CG2-CD2 4.2Å; M61-L65 HydrophobicContact CG-CD1 3.98Å; M61-L65 HydrophobicContact CG-CG 4.43Å; M61-L65 WeakPolarHBondContact O-CB 3.37Å; M61-L65 PolarHBondContact O-N 3Å; M61-L65 HydrophobicContact SD-CD1 4.2Å; M61-L65 HydrophobicContact SD-CG 4.26Å; L65-Y68 WeakPolarHBondContact O-CB 3.32Å; L65-Y68 PolarHBondContact O-N 3.26Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.08Å; L65-I69 PolarHBondContact O-N 2.79Å
66G97.5Very high95.2Very high12 Ų1240.5 Ų40.512%0.12420%0.201CC..Hα-helixtrans-61-47.7177.100000111.6F62 I69 M70 P260F62-G66 WeakPolarHBondContact O-CA 3.46Å; F62-G66 PolarHBondContact O-N 3.03Å; G66-I69 PolarHBondContact O-N 3.38Å; G66-M70 WeakPolarHBondContact O-CG 3.45Å; G66-M70 PolarHBondContact O-N 2.96Å; G66-P260 VanDerWaalsContact C-CB 3.44Å
67N97.6Very high94.5Very high0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-67.3-36.3176.7-77.9-73.9000112.2N63 I69 M70 T71 M138 F139N63-N67 VanDerWaalsContact O-CB 3.3Å; N63-N67 WeakPolarHBondContact O-CB 3.32Å; N63-N67 PolarHBondContact O-N 3.42Å; N63-N67 PolarHBondContact O-ND2 3.44Å; N67-I69 VanDerWaalsContact C-N 3.35Å; N67-I69 PolarHBondContact O-N 3.04Å; N67-M70 PolarHBondContact O-N 2.94Å; N67-T71 PolarHBondContact O-N 2.78Å; N67-T71 PolarHBondContact O-OG1 3.45Å; N67-T71 VanDerWaalsContact O-OG1 3.04Å; N67-M138 HydrophobicContact CB-CB 4.12Å; N67-M138 VanDerWaalsContact CG-CB 3.44Å; N67-M138 WeakPolarHBondContact OD1-CB 3.44Å; N67-F139 HydrophobicContact CB-CB 3.99Å
68Y97.3Very high93Very high10 Ų1041.3 Ų41.34%0.03920%0.204CC..Hα-helixtrans-55.5-49170.8178.3-85000111.7F19 F20 A64 L65 M70 T71 I72 F123 T124 F139F19-Y68 HydrophobicContact CD1-CD2 4.15Å; F19-Y68 AromaticContact CD1-CE2 3.81Å; F19-Y68 HydrophobicContact CD1-CE2 3.81Å; F19-Y68 HydrophobicContact CE1-CD1 4.38Å; F19-Y68 AromaticContact CE1-CD2 3.65Å; F19-Y68 HydrophobicContact CE1-CD2 3.65Å; F19-Y68 AromaticContact CE1-CE2 3.79Å; F19-Y68 HydrophobicContact CE1-CE2 3.79Å; F19-Y68 AromaticContact CE1-CG 3.97Å; F19-Y68 HydrophobicContact CE1-CG 3.97Å; F19-Y68 HydrophobicContact CZ-CD2 4.09Å; F19-Y68 HydrophobicContact CZ-CG 4.45Å; F20-Y68 HydrophobicContact CE1-CE1 4.45Å; F20-Y68 HydrophobicContact CE2-CE1 4.05Å; F20-Y68 HydrophobicContact CZ-CD1 4.2Å; F20-Y68 AromaticContact CZ-CE1 3.52Å; F20-Y68 HydrophobicContact CZ-CE1 3.52Å; F20-Y68 AromaticContact CZ-CZ 3.98Å; A64-Y68 WeakPolarHBondContact O-CB 3.41Å; A64-Y68 PolarHBondContact O-N 3.17Å; L65-Y68 WeakPolarHBondContact O-CB 3.32Å; L65-Y68 PolarHBondContact O-N 3.26Å; Y68-M70 PolarHBondContact O-N 3.21Å; Y68-T71 WeakPolarHBondContact O-CB 3.49Å; Y68-T71 PolarHBondContact O-N 3.48Å; Y68-I72 HydrophobicContact CD1-CD1 3.95Å; Y68-I72 HydrophobicContact CE1-CD1 3.33Å; Y68-I72 PolarHBondContact O-N 3.04Å; Y68-F123 VanDerWaalsContact CE2-O 3.26Å; Y68-F123 WeakPolarHBondContact CE2-O 3.38Å; Y68-F123 PolarHBondContact OH-O 2.88Å; Y68-T124 HydrophobicContact CD2-CG2 4.05Å; Y68-T124 HydrophobicContact CE2-CG2 3.88Å; Y68-F139 HydrophobicContact CD2-CD2 4.21Å; Y68-F139 HydrophobicContact CD2-CE1 4.33Å; Y68-F139 AromaticContact CD2-CE2 3.78Å; Y68-F139 HydrophobicContact CD2-CE2 3.78Å; Y68-F139 AromaticContact CD2-CZ 3.85Å; Y68-F139 HydrophobicContact CD2-CZ 3.85Å; Y68-F139 HydrophobicContact CG-CE2 4.43Å
69I96.4Very high91.3Very high101 Ų10143.4 Ų43.452%0.51822%0.216SC..Hα-helixtrans-62.1-44.6178-68.5164.6000110.5L65 G66 N67 T71 I72 K73L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.08Å; L65-I69 PolarHBondContact O-N 2.79Å; G66-I69 PolarHBondContact O-N 3.38Å; N67-I69 VanDerWaalsContact C-N 3.35Å; N67-I69 PolarHBondContact O-N 3.04Å; I69-T71 VanDerWaalsContact C-N 3.32Å; I69-T71 PolarHBondContact O-N 3.14Å; I69-I72 PolarHBondContact O-N 2.97Å; I69-I72 VanDerWaalsContact O-N 3.13Å; I69-K73 WeakPolarHBondContact O-CB 3.4Å; I69-K73 PolarHBondContact O-N 3.31Å
70M95Very high89.2Confident21 Ų2147.2 Ų47.210%0.10324%0.24CC..Hα-helixtrans-63.9-36.3179.1-66.3-67.6-78.200112.1G66 N67 Y68 I72 K73 Y74 Y135 P260G66-M70 WeakPolarHBondContact O-CG 3.45Å; G66-M70 PolarHBondContact O-N 2.96Å; N67-M70 PolarHBondContact O-N 2.94Å; Y68-M70 PolarHBondContact O-N 3.21Å; M70-I72 PolarHBondContact O-N 3.23Å; M70-K73 PolarHBondContact O-N 3.28Å; M70-Y74 HydrophobicContact CE-CD2 3.97Å; M70-Y74 HydrophobicContact CE-CE2 3.3Å; M70-Y74 WeakPolarHBondContact O-CD2 3.38Å; M70-Y74 PolarHBondContact O-N 2.9Å; M70-Y74 VanDerWaalsContact O-N 3.11Å; M70-Y74 HydrophobicContact SD-CD2 4.27Å; M70-Y74 HydrophobicContact SD-CE2 3.73Å; M70-Y135 HydrophobicContact CB-CD1 3.52Å; M70-Y135 HydrophobicContact CB-CD2 3.91Å; M70-Y135 HydrophobicContact CB-CE1 3.85Å; M70-Y135 HydrophobicContact CB-CE2 4.24Å; M70-Y135 HydrophobicContact CB-CG 3.56Å; M70-Y135 HydrophobicContact CE-CE1 3.71Å; M70-Y135 HydrophobicContact CE-CE2 4.44Å; M70-Y135 WeakPolarHBondContact CE-OH 3.34Å; M70-Y135 HydrophobicContact CG-CD1 4.27Å; M70-Y135 HydrophobicContact CG-CE1 4.29Å; M70-P260 HydrophobicContact CG-CB 4.22Å; M70-P260 WeakPolarHBondContact CG-O 3.18Å
71T95Very high87.1Confident0 Ų050 Ų500%025%0.253CS..Hα-helixtrans-58.8-35.5173.8-63.50000112.5N67 Y68 I69 T124 I128 N132 Y135 F136N67-T71 PolarHBondContact O-N 2.78Å; N67-T71 PolarHBondContact O-OG1 3.45Å; N67-T71 VanDerWaalsContact O-OG1 3.04Å; Y68-T71 WeakPolarHBondContact O-CB 3.49Å; Y68-T71 PolarHBondContact O-N 3.48Å; I69-T71 VanDerWaalsContact C-N 3.32Å; I69-T71 PolarHBondContact O-N 3.14Å; T71-T124 HydrophobicContact CG2-CG2 3.98Å; T71-I128 HydrophobicContact CG2-CD1 3.42Å; T71-I128 VanDerWaalsContact CG2-CD1 3.42Å; T71-N132 HydrophobicContact CG2-CB 4.27Å; T71-N132 PolarHBondContact O-ND2 3.34Å; T71-Y135 VanDerWaalsContact OG1-C 3.23Å; T71-Y135 VanDerWaalsContact OG1-CB 3.26Å; T71-Y135 WeakPolarHBondContact OG1-CB 3.33Å; T71-F136 HydrophobicContact CG2-CB 4.31Å; T71-F136 PolarHBondContact OG1-N 3.28Å; T71-F136 VanDerWaalsContact OG1-N 3.14Å
72I93.5Very high84.9Confident68 Ų6857.4 Ų57.435%0.34929%0.291SS..Hα-helixtrans-81.5-44.2178.6-61.7173.2000110.8Y68 I69 M70 Y74Y68-I72 HydrophobicContact CD1-CD1 3.95Å; Y68-I72 HydrophobicContact CE1-CD1 3.33Å; Y68-I72 PolarHBondContact O-N 3.04Å; I69-I72 PolarHBondContact O-N 2.97Å; I69-I72 VanDerWaalsContact O-N 3.13Å; M70-I72 PolarHBondContact O-N 3.23Å; I72-Y74 VanDerWaalsContact C-N 3.27Å; I72-Y74 PolarHBondContact O-N 3.24Å
73K92Very high82.5Confident140 Ų14055.7 Ų55.761%0.60930%0.297SS*.Hα-helixtrans-64-29.2-175.9-174.4177.1177.7-176.70113.3I69 M70 P75I69-K73 WeakPolarHBondContact O-CB 3.4Å; I69-K73 PolarHBondContact O-N 3.31Å; M70-K73 PolarHBondContact O-N 3.28Å; K73-P75 WeakPolarHBondContact O-CD 3.36Å
74Y88.9Confident80.4Confident51 Ų5160.7 Ų60.720%0.232%0.322CS..SBendtrans-109.970.1178.6-68.2-92.8000110.8M70 I72 N132 Y135 Q262 M266M70-Y74 HydrophobicContact CE-CD2 3.97Å; M70-Y74 HydrophobicContact CE-CE2 3.3Å; M70-Y74 WeakPolarHBondContact O-CD2 3.38Å; M70-Y74 PolarHBondContact O-N 2.9Å; M70-Y74 VanDerWaalsContact O-N 3.11Å; M70-Y74 HydrophobicContact SD-CD2 4.27Å; M70-Y74 HydrophobicContact SD-CE2 3.73Å; I72-Y74 VanDerWaalsContact C-N 3.27Å; I72-Y74 PolarHBondContact O-N 3.24Å; Y74-N132 VanDerWaalsContact O-CB 3.3Å; Y74-N132 WeakPolarHBondContact O-CB 3.28Å; Y74-Y135 AromaticContact CD2-CE2 3.9Å; Y74-Y135 HydrophobicContact CD2-CE2 3.9Å; Y74-Y135 HydrophobicContact CG-CE2 4.04Å; Y74-Q262 PolarHBondContact OH-OE1 3.45Å; Y74-M266 HydrophobicContact CD1-CE 4.39Å; Y74-M266 HydrophobicContact CE1-CE 4.46Å
75P82.9Confident77.9Confident43 Ų4364.8 Ų64.828%0.27935%0.348SS..  trans-61145.2-175.228-36000111.8K73 E77K73-P75 WeakPolarHBondContact O-CD 3.36Å; P75-E77 HydrophobicContact CB-CG 4.07Å; P75-E77 PolarHBondContact O-N 3.5Å
76A82.3Confident75.6Confident2 Ų268.1 Ų68.12%0.01737%0.37CS..  trans-77.822.3179.700000114.3I114 F115A76-I114 HydrophobicContact CB-CG2 3.8Å; A76-I114 WeakPolarHBondContact O-CA 3.31Å; A76-I114 WeakPolarHBondContact O-CG2 3.44Å; A76-F115 PolarHBondContact O-N 3.49Å; A76-F115 VanDerWaalsContact O-N 3.15Å
77E82.3Confident73.3Confident48 Ų4871.2 Ų71.222%0.22439%0.39CS..BIsolated β-bridgetrans-69143.1-179-65.6165.4-158.700110.4P75 K112 I114 K131P75-E77 HydrophobicContact CB-CG 4.07Å; P75-E77 PolarHBondContact O-N 3.5Å; E77-K112 HydrophobicContact CG-CB 4.33Å; E77-K112 HydrophobicContact CG-CD 3.6Å; E77-K112 WeakPolarHBondContact OE1-CD 3.25Å; E77-K112 WeakPolarHBondContact OE1-CE 3.28Å; E77-K112 IonicContact OE1-NZ 3.21Å; E77-K112 PolarHBondContact OE1-NZ 2.84Å; E77-K112 WeakPolarHBondContact OE2-CD 3.3Å; E77-K112 WeakPolarHBondContact OE2-CE 3.44Å; E77-K112 IonicContact OE2-NZ 3.69Å; E77-K112 PolarHBondContact OE2-NZ 2.96Å; E77-I114 HydrophobicContact CG-CD1 4.11Å; E77-K131 PolarHBondContact O-NZ 3.2Å
78S66.7Low70.7Confident22 Ų2274.5 Ų74.515%0.15441%0.413CS..PPolyproline II helixtrans-70.8126.3167.943.50000109.2E81 V113S78-E81 PolarHBondContact OG-OE2 3.41Å; S78-V113 PolarHBondContact N-O 3.25Å; S78-V113 PolarHBondContact OG-O 3.04Å
79D62.6Low68.3Low120 Ų12080.4 Ų80.464%0.64245%0.452SS*.THydrogen-bonded Turntrans-66.8141.7173.7-59.3-33.2000108.4E81 K131D79-E81 PolarHBondContact O-N 3.22Å; D79-K131 IonicContact OD1-NZ 3.14Å; D79-K131 PolarHBondContact OD1-NZ 2.87Å; D79-K131 IonicContact OD2-NZ 3.44Å; D79-K131 PolarHBondContact OD2-NZ 3.5Å
80N54.8Low65.8Low165 Ų16586.6 Ų86.688%0.88247%0.469SS*.THydrogen-bonded Turntrans6610.5173.5-69.9-18.4000120I82N80-I82 PolarHBondContact O-N 3.27Å
81E54.4Low63.7Low80 Ų8088.8 Ų88.837%0.37449%0.486SS..  trans-98.379.9171.8-76.9179.8166.200112.3S78 D79 R104S78-E81 PolarHBondContact OG-OE2 3.41Å; D79-E81 PolarHBondContact O-N 3.22Å; E81-R104 IonicContact OE1-CZ 3.9Å; E81-R104 IonicContact OE1-NE 2.63Å; E81-R104 IonicContact OE1-NH1 2.79Å; E81-R104 PolarHBondContact OE1-NH1 2.8Å; E81-R104 WeakPolarHBondContact OE2-CD 3.31Å; E81-R104 IonicContact OE2-NE 2.7Å
82I50.4Low61.6Low164 Ų16494.1 Ų94.184%0.84152%0.523SS*.  trans-74.1-12.1162.7-57.6173.9000110.6N80 I84N80-I82 PolarHBondContact O-N 3.27Å; I82-I84 VanDerWaalsContact C-N 3.35Å; I82-I84 PolarHBondContact O-N 2.62Å
83A48.9Very low59.2Low73 Ų7396 Ų9660%0.60353%0.533SS*.  trans-69.788.4-179.600000111P85A83-P85 VanDerWaalsContact O-CD 3.22Å; A83-P85 WeakPolarHBondContact O-CD 3.45Å
84I52.9Low57.1Low105 Ų10597.1 Ų97.154%0.53854%0.538SS..  trans-72.2108.6152.3-53.5170.9000104.7I82 V86I82-I84 VanDerWaalsContact C-N 3.35Å; I82-I84 PolarHBondContact O-N 2.62Å; I84-V86 HydrophobicContact CB-CG2 4.2Å; I84-V86 HydrophobicContact CG2-CG2 3.77Å; I84-V86 PolarHBondContact O-N 3.01Å
85P47.1Very low55.3Low88 Ų8898.3 Ų98.357%0.57155%0.551SS**  trans-72.193.5166.13.615.9000104.6A83 C87 Y99A83-P85 VanDerWaalsContact O-CD 3.22Å; A83-P85 WeakPolarHBondContact O-CD 3.45Å; P85-C87 VanDerWaalsContact C-N 3.35Å; P85-C87 PolarHBondContact O-N 3.23Å; P85-Y99 HydrophobicContact CG-CE1 4.46Å
86V48.7Very low53.7Low117 Ų11799.6 Ų99.671%0.70956%0.555SS**  trans-67.898.7176.5-177.20000106.3I84I84-V86 HydrophobicContact CB-CG2 4.2Å; I84-V86 HydrophobicContact CG2-CG2 3.77Å; I84-V86 PolarHBondContact O-N 3.01Å
87C49Very low51.9Low78 Ų78102.1 Ų102.153%0.52757%0.573SS.*  trans-64.3147.8158.7-1650000108.4P85 C91P85-C87 VanDerWaalsContact C-N 3.35Å; P85-C87 PolarHBondContact O-N 3.23Å; C87-C91 HydrophobicContact CB-CB 4.46Å
88S43.4Very low50.2Low69 Ų69106.7 Ų106.748%0.48359%0.594SS.*  trans-47.4143.5178.5169.40000112.2R90 C91S88-R90 PolarHBondContact O-N 3.33Å; S88-C91 PolarHBondContact O-N 3.2Å; S88-C91 VanDerWaalsContact O-N 3.09Å
89P47.3Very low49.5Very low134 Ų134107.3 Ų107.387%0.8759%0.593SS**THydrogen-bonded Turntrans-54.8-7.9177.2-24.432.1000115.8
90R43.3Very low49.1Very low231 Ų231104.6 Ų104.687%0.87258%0.578SS**THydrogen-bonded Turntrans-101.46.3-179-60.3-174.6-173.7-174.22.1114.5S88 S92S88-R90 PolarHBondContact O-N 3.33Å; R90-S92 PolarHBondContact O-N 3.25Å
91C50.8Low49.2Very low67 Ų67102.4 Ų102.445%0.45357%0.566SS.*  trans-67.8114.6177.7-1700000110.8C87 S88 D93C87-C91 HydrophobicContact CB-CB 4.46Å; S88-C91 PolarHBondContact O-N 3.2Å; S88-C91 VanDerWaalsContact O-N 3.09Å; C91-D93 VanDerWaalsContact C-N 3.29Å; C91-D93 PolarHBondContact O-N 2.95Å
92S50.6Low49.6Very low111 Ų111104.5 Ų104.578%0.77658%0.58SS**  trans-74.8-16.9-179.6540000113.6R90R90-S92 PolarHBondContact O-N 3.25Å
93D43.2Very low50.5Low108 Ų10897.7 Ų97.758%0.57855%0.55SS*.SBendtrans-110.1111.1-172.7-76.8-45.2000112.7C91 V95C91-D93 VanDerWaalsContact C-N 3.29Å; C91-D93 PolarHBondContact O-N 2.95Å; D93-V95 PolarHBondContact O-N 3.46Å
94K48.5Very low51.8Low164 Ų16497.9 Ų97.971%0.71354%0.535SS*.  trans28.695.2151.5-61.3176.9-174.3171.90114.6D96 S97K94-D96 PolarHBondContact O-N 3.24Å; K94-S97 PolarHBondContact O-N 2.88Å; K94-S97 PolarHBondContact O-OG 2.79Å
95V50.3Low53.1Low75 Ų7593.5 Ų93.546%0.45551%0.512SS..THydrogen-bonded Turntrans-38.2-26.7164.4-179.10000113.4D93 Y99 F106D93-V95 PolarHBondContact O-N 3.46Å; V95-Y99 HydrophobicContact CG1-CE2 3.8Å; V95-Y99 WeakPolarHBondContact O-CD2 3.06Å; V95-Y99 WeakPolarHBondContact O-CE2 3.28Å; V95-F106 HydrophobicContact CG1-CD1 4.4Å
96D49.3Very low54.6Low70 Ų7091.2 Ų91.237%0.37449%0.493SS..THydrogen-bonded Turntrans-82.4-12.8-176.3-55.1-31.8000115.7K94 K108K94-D96 PolarHBondContact O-N 3.24Å; D96-K108 WeakPolarHBondContact OD1-CE 3.46Å; D96-K108 IonicContact OD1-NZ 2.79Å; D96-K108 PolarHBondContact OD1-NZ 3.06Å; D96-K108 IonicContact OD2-NZ 2.88Å; D96-K108 PolarHBondContact OD2-NZ 3.44Å
97S46.2Very low56.3Low56 Ų5685.7 Ų85.739%0.39246%0.46SS..SBendtrans-81.9-25.5-177.353.40000114.4K94 L100K94-S97 PolarHBondContact O-N 2.88Å; K94-S97 PolarHBondContact O-OG 2.79Å; S97-L100 WeakPolarHBondContact O-CD1 3.34Å
98H45.8Very low57.8Low143 Ų14385.8 Ų85.866%0.66245%0.451SS*.THydrogen-bonded Turntrans-89.1-13.2-174.8-95.6-86.1000115.2L100H98-L100 VanDerWaalsContact C-N 3.33Å
99Y52.9Low59.8Low36 Ų3684.3 Ų84.314%0.14144%0.438CS..THydrogen-bonded Turntrans-89.62.8-179.9-61.7-82.7000113.4P85 V95 L101 R104 F106 V113P85-Y99 HydrophobicContact CG-CE1 4.46Å; V95-Y99 HydrophobicContact CG1-CE2 3.8Å; V95-Y99 WeakPolarHBondContact O-CD2 3.06Å; V95-Y99 WeakPolarHBondContact O-CE2 3.28Å; Y99-L101 PolarHBondContact O-N 3.4Å; Y99-R104 CarbonylContact O-C 3.55Å; Y99-F106 HydrophobicContact CD1-CB 3.81Å; Y99-F106 HydrophobicContact CD2-CB 3.61Å; Y99-F106 HydrophobicContact CD2-CG 4.46Å; Y99-F106 HydrophobicContact CE1-CB 4.05Å; Y99-F106 HydrophobicContact CE1-CD2 4.48Å; Y99-F106 HydrophobicContact CE1-CG 4.36Å; Y99-F106 HydrophobicContact CE2-CB 3.9Å; Y99-F106 HydrophobicContact CE2-CD1 4.49Å; Y99-F106 HydrophobicContact CE2-CG 4.27Å; Y99-F106 HydrophobicContact CG-CB 3.58Å; Y99-V113 HydrophobicContact CD1-CG2 4.44Å
100L53.9Low61.5Low62 Ų6279.3 Ų79.333%0.32541%0.406SS..  trans-77.234.3-174.9-75160.1000114.4S97 H98 H105 E233S97-L100 WeakPolarHBondContact O-CD1 3.34Å; H98-L100 VanDerWaalsContact C-N 3.33Å; L100-H105 VanDerWaalsContact CD2-CE1 3.47Å; L100-H105 WeakPolarHBondContact CD2-CE1 3.3Å; L100-E233 WeakPolarHBondContact CD2-OE1 3.39Å
101L55.3Low63.4Low120 Ų12076.4 Ų76.463%0.62840%0.395SS*.SBendtrans-91.2120169.9-87.1108.4000109.9Y99 G103 R104Y99-L101 PolarHBondContact O-N 3.4Å; L101-G103 PolarHBondContact O-N 2.9Å; L101-R104 WeakPolarHBondContact O-CB 3.09Å; L101-R104 PolarHBondContact O-N 3.42Å
102N63.3Low64.8Low124 Ų12477.3 Ų77.366%0.66339%0.391SS*.THydrogen-bonded Turntrans59.342.1165.8-54.9-27.9000115.3R104 F115N102-R104 VanDerWaalsContact C-N 3.29Å; N102-R104 PolarHBondContact O-N 3.13Å; N102-F115 WeakPolarHBondContact O-CE2 3.27Å
103G69.6Low66.3Low21 Ų2173 Ų7322%0.21636%0.36CS..THydrogen-bonded Turntrans74.814.7176.500000114.5L101 R116L101-G103 PolarHBondContact O-N 2.9Å; G103-R116 VanDerWaalsContact O-CA 3.25Å; G103-R116 WeakPolarHBondContact O-CA 3.41Å; G103-R116 PolarHBondContact O-N 3.1Å
104R77Confident68.3Low76 Ų7667.9 Ų67.929%0.28733%0.332SS..EExtended strand (participates in β ladder)trans-91.2146.8171.9-65-178.6-177.2119.53.7110.3E81 Y99 L101 N102 V113 I114 F115E81-R104 IonicContact OE1-CZ 3.9Å; E81-R104 IonicContact OE1-NE 2.63Å; E81-R104 IonicContact OE1-NH1 2.79Å; E81-R104 PolarHBondContact OE1-NH1 2.8Å; E81-R104 WeakPolarHBondContact OE2-CD 3.31Å; E81-R104 IonicContact OE2-NE 2.7Å; Y99-R104 CarbonylContact O-C 3.55Å; L101-R104 WeakPolarHBondContact O-CB 3.09Å; L101-R104 PolarHBondContact O-N 3.42Å; N102-R104 VanDerWaalsContact C-N 3.29Å; N102-R104 PolarHBondContact O-N 3.13Å; R104-V113 HydrophobicContact CB-CG1 3.75Å; R104-V113 HydrophobicContact CG-CG1 4.34Å; R104-I114 CarbonylContact C-O 3.59Å; R104-I114 WeakPolarHBondContact CA-O 3.43Å; R104-F115 HydrophobicContact CG-CD2 3.84Å
105H78.9Confident70Confident14 Ų1463.2 Ų63.27%0.06531%0.312CS..EExtended strand (participates in β ladder)trans-148.1133.8178.8-61.3-91000111.5L100 I114 R117L100-H105 VanDerWaalsContact CD2-CE1 3.47Å; L100-H105 WeakPolarHBondContact CD2-CE1 3.3Å; H105-I114 PolarHBondContact N-O 3.34Å; H105-I114 PolarHBondContact O-N 2.89Å; H105-R117 HydrophobicContact CB-CB 3.76Å; H105-R117 HydrophobicContact CB-CG 4.23Å
106F80.3Confident71.7Confident39 Ų3964.7 Ų64.717%0.17131%0.31CS..EExtended strand (participates in β ladder)trans-77.5124.4177-177.2-103.1000112.4V95 Y99 K108 R111 V113V95-F106 HydrophobicContact CG1-CD1 4.4Å; Y99-F106 HydrophobicContact CD1-CB 3.81Å; Y99-F106 HydrophobicContact CD2-CB 3.61Å; Y99-F106 HydrophobicContact CD2-CG 4.46Å; Y99-F106 HydrophobicContact CE1-CB 4.05Å; Y99-F106 HydrophobicContact CE1-CD2 4.48Å; Y99-F106 HydrophobicContact CE1-CG 4.36Å; Y99-F106 HydrophobicContact CE2-CB 3.9Å; Y99-F106 HydrophobicContact CE2-CD1 4.49Å; Y99-F106 HydrophobicContact CE2-CG 4.27Å; Y99-F106 HydrophobicContact CG-CB 3.58Å; F106-K108 HydrophobicContact CD1-CG 4.25Å; F106-K108 HydrophobicContact CE1-CG 4.11Å; F106-R111 HydrophobicContact CZ-CB 4.46Å; F106-V113 HydrophobicContact CD2-CG2 4.16Å
107C83Confident73.6Confident1 Ų163.2 Ų63.21%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-88.3116.6171.1-167.20000111.2L109 C110 R111 K112 I114 R117 C127C107-L109 PolarHBondContact O-N 3.36Å; C107-L109 PolarHBondContact SG-N 3.15Å; C107-L109 VanDerWaalsContact SG-N 3.44Å; C107-C110 HydrophobicContact CB-CB 3.88Å; C107-C110 PolarHBondContact SG-N 2.76Å; C107-R111 WeakPolarHBondContact O-CA 3.19Å; C107-R111 PolarHBondContact O-N 3.32Å; C107-K112 PolarHBondContact N-O 2.5Å; C107-K112 PolarHBondContact O-N 3.45Å; C107-I114 HydrophobicContact CB-CG1 4.1Å; C107-R117 VanDerWaalsContact CA-NH1 3.32Å; C107-R117 PolarHBondContact SG-NH1 3.3Å; C107-C127 PolarHBondContact SG-SG 3.48Å
108K81.6Confident75.8Confident80 Ų8060.7 Ų60.735%0.34828%0.281SS..THydrogen-bonded Turntrans-65.6-25.3172.5-70.3165.3178144.10114D96 F106D96-K108 WeakPolarHBondContact OD1-CE 3.46Å; D96-K108 IonicContact OD1-NZ 2.79Å; D96-K108 PolarHBondContact OD1-NZ 3.06Å; D96-K108 IonicContact OD2-NZ 2.88Å; D96-K108 PolarHBondContact OD2-NZ 3.44Å; F106-K108 HydrophobicContact CD1-CG 4.25Å; F106-K108 HydrophobicContact CE1-CG 4.11Å
109L84.3Confident78Confident38 Ų3855.1 Ų55.120%0.19926%0.255CS..THydrogen-bonded Turntrans-81.6-50.2179.7-66.1172.5000111.7M5 L8 C107 R111 H120 F122M5-L109 HydrophobicContact CE-CD2 4.28Å; L8-L109 HydrophobicContact CB-CD1 4.44Å; L8-L109 HydrophobicContact CB-CD2 3.51Å; L8-L109 HydrophobicContact CD1-CD2 4.11Å; L8-L109 HydrophobicContact CG-CD2 4.43Å; C107-L109 PolarHBondContact O-N 3.36Å; C107-L109 PolarHBondContact SG-N 3.15Å; C107-L109 VanDerWaalsContact SG-N 3.44Å; L109-R111 VanDerWaalsContact C-N 3.3Å; L109-H120 HydrophobicContact CD1-CB 4.2Å; L109-F122 HydrophobicContact CD1-CE1 3.71Å; L109-F122 HydrophobicContact CD1-CZ 3.78Å
110C84.2Confident79.9Confident29 Ų2954.1 Ų54.120%0.19625%0.252CS..THydrogen-bonded Turntrans-74.1-22.8174.9-570000112.7C107 K112 H120 C127C107-C110 HydrophobicContact CB-CB 3.88Å; C107-C110 PolarHBondContact SG-N 2.76Å; C110-K112 VanDerWaalsContact C-N 3.34Å; C110-K112 HydrophobicContact CB-CB 4.34Å; C110-K112 HydrophobicContact CB-CG 4.44Å; C110-K112 WeakPolarHBondContact O-CG 3.42Å; C110-H120 PolarHBondContact SG-CE1 2.92Å; C110-H120 PolarHBondContact SG-ND1 3.46Å; C110-C127 PolarHBondContact SG-SG 3.33Å
111R81.8Confident81.9Confident170 Ų17051.6 Ų51.664%0.64224%0.239SC*.THydrogen-bonded Turntrans58.141.6-169.5-59.6179.9169.3-175.1-6.3113.1F106 C107 L109F106-R111 HydrophobicContact CZ-CB 4.46Å; C107-R111 WeakPolarHBondContact O-CA 3.19Å; C107-R111 PolarHBondContact O-N 3.32Å; L109-R111 VanDerWaalsContact C-N 3.3Å
112K81.3Confident83.8Confident87 Ų8748.4 Ų48.438%0.37822%0.221SC..EExtended strand (participates in β ladder)trans-141.7154.1-175.5-61.3-176.2-174.5-172.90111E77 C107 C110 I114E77-K112 HydrophobicContact CG-CB 4.33Å; E77-K112 HydrophobicContact CG-CD 3.6Å; E77-K112 WeakPolarHBondContact OE1-CD 3.25Å; E77-K112 WeakPolarHBondContact OE1-CE 3.28Å; E77-K112 IonicContact OE1-NZ 3.21Å; E77-K112 PolarHBondContact OE1-NZ 2.84Å; E77-K112 WeakPolarHBondContact OE2-CD 3.3Å; E77-K112 WeakPolarHBondContact OE2-CE 3.44Å; E77-K112 IonicContact OE2-NZ 3.69Å; E77-K112 PolarHBondContact OE2-NZ 2.96Å; C107-K112 PolarHBondContact N-O 2.5Å; C107-K112 PolarHBondContact O-N 3.45Å; C110-K112 VanDerWaalsContact C-N 3.34Å; C110-K112 HydrophobicContact CB-CB 4.34Å; C110-K112 HydrophobicContact CB-CG 4.44Å; C110-K112 WeakPolarHBondContact O-CG 3.42Å; K112-I114 HydrophobicContact CB-CD1 4.23Å
113V82.3Confident85.3Confident20 Ų2046.8 Ų46.812%0.12121%0.208CC..EExtended strand (participates in β ladder)trans-81.9131.4169.6-178.60000108.6S78 Y99 R104 F106S78-V113 PolarHBondContact N-O 3.25Å; S78-V113 PolarHBondContact OG-O 3.04Å; Y99-V113 HydrophobicContact CD1-CG2 4.44Å; R104-V113 HydrophobicContact CB-CG1 3.75Å; R104-V113 HydrophobicContact CG-CG1 4.34Å; F106-V113 HydrophobicContact CD2-CG2 4.16Å
114I85.3Confident86.5Confident0 Ų046 Ų460%020%0.199CC..EExtended strand (participates in β ladder)trans-118125.1-174.1-52.8-59.2000108.4A76 E77 R104 H105 C107 K112 R117 C127A76-I114 HydrophobicContact CB-CG2 3.8Å; A76-I114 WeakPolarHBondContact O-CA 3.31Å; A76-I114 WeakPolarHBondContact O-CG2 3.44Å; E77-I114 HydrophobicContact CG-CD1 4.11Å; R104-I114 CarbonylContact C-O 3.59Å; R104-I114 WeakPolarHBondContact CA-O 3.43Å; H105-I114 PolarHBondContact N-O 3.34Å; H105-I114 PolarHBondContact O-N 2.89Å; C107-I114 HydrophobicContact CB-CG1 4.1Å; K112-I114 HydrophobicContact CB-CD1 4.23Å; I114-R117 HydrophobicContact CB-CB 3.91Å; I114-R117 HydrophobicContact CB-CG 4.12Å; I114-R117 HydrophobicContact CG2-CB 3.74Å; I114-R117 HydrophobicContact CG2-CG 3.99Å; I114-C127 HydrophobicContact CD1-CB 3.75Å; I114-C127 HydrophobicContact CG1-CB 3.8Å; I114-C127 HydrophobicContact CG2-CB 4.06Å
115F84.3Confident87.2Confident66 Ų6643.8 Ų43.829%0.28920%0.2SC..EExtended strand (participates in β ladder)trans-83.3134178-178.6-113.2000111.6A76 N102 R104 R117 N130A76-F115 PolarHBondContact O-N 3.49Å; A76-F115 VanDerWaalsContact O-N 3.15Å; N102-F115 WeakPolarHBondContact O-CE2 3.27Å; R104-F115 HydrophobicContact CG-CD2 3.84Å; F115-R117 PolarHBondContact O-N 3.38Å; F115-N130 HydrophobicContact CD1-CB 3.91Å; F115-N130 HydrophobicContact CE1-CB 4.31Å; F115-N130 PolarHBondContact O-N 3.41Å
116R85.4Confident87.8Confident106 Ų10644 Ų4440%0.420%0.201SC..THydrogen-bonded Turntrans41.552.4-168.7-65.3178.8167.3178.6-4.8111.3G103 D118 G129 N130 T225 D247G103-R116 VanDerWaalsContact O-CA 3.25Å; G103-R116 WeakPolarHBondContact O-CA 3.41Å; G103-R116 PolarHBondContact O-N 3.1Å; R116-D118 PolarHBondContact O-N 3.41Å; R116-G129 VanDerWaalsContact O-CA 3.29Å; R116-G129 WeakPolarHBondContact O-CA 3.28Å; R116-N130 HydrophobicContact CB-CB 4.16Å; R116-N130 WeakPolarHBondContact CD-OD1 3.38Å; R116-N130 PolarHBondContact NH1-OD1 3.27Å; R116-T225 HydrophobicContact CB-CG2 4.27Å; R116-D247 IonicContact CZ-OD2 3.23Å; R116-D247 IonicContact NH1-OD2 3.89Å; R116-D247 PolarHBondContact NH1-OD2 2.56Å
117R88.6Confident88.5Confident40 Ų4042.1 Ų42.115%0.15119%0.193CC..  trans-56.7126.3-178.6-179-166167.389.3-0.4110.1H105 C107 I114 F115 C127 T225 C227H105-R117 HydrophobicContact CB-CB 3.76Å; H105-R117 HydrophobicContact CB-CG 4.23Å; C107-R117 VanDerWaalsContact CA-NH1 3.32Å; C107-R117 PolarHBondContact SG-NH1 3.3Å; I114-R117 HydrophobicContact CB-CB 3.91Å; I114-R117 HydrophobicContact CB-CG 4.12Å; I114-R117 HydrophobicContact CG2-CB 3.74Å; I114-R117 HydrophobicContact CG2-CG 3.99Å; F115-R117 PolarHBondContact O-N 3.38Å; R117-C127 PolarHBondContact NH1-SG 3.32Å; R117-T225 PolarHBondContact O-OG1 3.46Å; R117-C227 WeakPolarHBondContact O-CB 3.36Å
118D92.3Very high89.1Confident3 Ų342.1 Ų42.12%0.01619%0.193CC..  trans-93.6-65.2171.4-164.576.2000110.6R116 I128 M133 Q216 W226 C227R116-D118 PolarHBondContact O-N 3.41Å; D118-I128 HydrophobicContact CB-CB 4.48Å; D118-I128 HydrophobicContact CB-CG2 4.47Å; D118-I128 PolarHBondContact N-O 3.41Å; D118-M133 HydrophobicContact CB-CE 3.47Å; D118-M133 VanDerWaalsContact CB-CE 3.47Å; D118-M133 VanDerWaalsContact CG-CE 3.47Å; D118-Q216 PolarHBondContact OD1-OE1 3.35Å; D118-Q216 PolarHBondContact OD2-NE2 3.42Å; D118-Q216 PolarHBondContact OD2-OE1 2.82Å; D118-W226 VanDerWaalsContact CG-CB 3.5Å; D118-W226 VanDerWaalsContact OD1-CB 3.28Å; D118-W226 WeakPolarHBondContact OD1-CB 3.41Å; D118-W226 PolarHBondContact OD1-N 3.48Å; D118-W226 VanDerWaalsContact OD2-CB 3.28Å; D118-W226 WeakPolarHBondContact OD2-CB 3.46Å; D118-C227 WeakPolarHBondContact O-CB 3.17Å; D118-C227 PolarHBondContact O-N 2.83Å
119H92.6Very high89.6Confident25 Ų2538.3 Ų38.312%0.11618%0.177CC..EExtended strand (participates in β ladder)trans-157.8168.217864.6-80.2000111.6C127 I128 F136H119-C127 WeakPolarHBondContact O-CA 3.28Å; H119-I128 PolarHBondContact O-N 2.96Å; H119-F136 AromaticContact CE1-CE1 3.7Å; H119-F136 AromaticContact CE1-CZ 3.69Å; H119-F136 AromaticContact NE2-CZ 3.67Å
120H92.9Very high89.7Confident16 Ų1639.3 Ų39.37%0.07418%0.182CC..EExtended strand (participates in β ladder)trans-91.1117.9164.7-175.494.8000108.4N12 L109 C110 C127N12-H120 PolarHBondContact ND2-NE2 2.92Å; N12-H120 PolarHBondContact OD1-NE2 3.01Å; L109-H120 HydrophobicContact CD1-CB 4.2Å; C110-H120 PolarHBondContact SG-CE1 2.92Å; C110-H120 PolarHBondContact SG-ND1 3.46Å; H120-C127 PolarHBondContact ND1-SG 3.49Å
121C95.3Very high89.9Confident9 Ų940.9 Ų40.96%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-92.8118179-175.80000109.7F123 T124 G125 N126 I128 F136C121-F123 VanDerWaalsContact C-N 3.31Å; C121-F123 PolarHBondContact O-N 3.49Å; C121-T124 WeakPolarHBondContact CB-OG1 3.2Å; C121-G125 PolarHBondContact O-N 3.3Å; C121-N126 PolarHBondContact N-O 2.98Å; C121-N126 PolarHBondContact O-N 2.91Å; C121-I128 HydrophobicContact CB-CD1 4.11Å; C121-I128 HydrophobicContact CB-CG1 3.85Å; C121-F136 HydrophobicContact CB-CE2 4.48Å
122F95.5Very high90.5Very high53 Ų5332.8 Ų32.823%0.23216%0.155CC..THydrogen-bonded Turntrans-67.9-32.5177.8-66.1-78000112.1L8 L11 N12 A15 P16 L109 T124 G125L8-F122 HydrophobicContact CB-CE1 4.32Å; L8-F122 HydrophobicContact CD2-CE1 4.29Å; L8-F122 HydrophobicContact CD2-CZ 3.85Å; L8-F122 WeakPolarHBondContact O-CE1 3.22Å; L11-F122 HydrophobicContact CB-CD1 3.53Å; L11-F122 HydrophobicContact CB-CE1 3.93Å; L11-F122 HydrophobicContact CB-CG 4.08Å; L11-F122 HydrophobicContact CD2-CD1 4.35Å; L11-F122 HydrophobicContact CD2-CD2 4.38Å; L11-F122 HydrophobicContact CD2-CE1 4.45Å; L11-F122 HydrophobicContact CD2-CE2 4.48Å; L11-F122 HydrophobicContact CD2-CG 4.33Å; N12-F122 WeakPolarHBondContact OD1-CD1 3.5Å; A15-F122 HydrophobicContact CB-CB 3.96Å; P16-F122 VanDerWaalsContact CD-O 3.28Å; P16-F122 WeakPolarHBondContact CD-O 3.41Å; P16-F122 WeakPolarHBondContact CG-O 3.49Å; L109-F122 HydrophobicContact CD1-CE1 3.71Å; L109-F122 HydrophobicContact CD1-CZ 3.78Å; F122-T124 PolarHBondContact O-N 2.97Å; F122-G125 PolarHBondContact O-N 2.71Å
123F95.6Very high91.1Very high89 Ų8929.2 Ų29.239%0.3914%0.14SC..THydrogen-bonded Turntrans-69-32.2-178.9-70.4-84.1000113.7A15 P16 Y18 F19 Y68 C121A15-F123 HydrophobicContact CB-CD1 3.95Å; A15-F123 HydrophobicContact CB-CE1 4.17Å; A15-F123 HydrophobicContact CB-CG 4.19Å; P16-F123 WeakPolarHBondContact CG-O 3.37Å; Y18-F123 HydrophobicContact CD1-CE1 4.07Å; Y18-F123 HydrophobicContact CE1-CE1 4.5Å; F19-F123 HydrophobicContact CB-CD1 4.39Å; Y68-F123 VanDerWaalsContact CE2-O 3.26Å; Y68-F123 WeakPolarHBondContact CE2-O 3.38Å; Y68-F123 PolarHBondContact OH-O 2.88Å; C121-F123 VanDerWaalsContact C-N 3.31Å; C121-F123 PolarHBondContact O-N 3.49Å
124T94.1Very high91.7Very high6 Ų628.7 Ų28.74%0.03714%0.135CC..THydrogen-bonded Turntrans-94.5-8172.963.50000112.5Y68 T71 C121 F122 N126Y68-T124 HydrophobicContact CD2-CG2 4.05Å; Y68-T124 HydrophobicContact CE2-CG2 3.88Å; T71-T124 HydrophobicContact CG2-CG2 3.98Å; C121-T124 WeakPolarHBondContact CB-OG1 3.2Å; F122-T124 PolarHBondContact O-N 2.97Å; T124-N126 PolarHBondContact O-N 3.45Å; T124-N126 VanDerWaalsContact O-N 3.14Å; T124-N126 PolarHBondContact OG1-N 3.2Å
125G91.9Very high92.2Very high29 Ų2929.1 Ų29.130%0.29914%0.137SC..THydrogen-bonded Turntrans64.810.5-175.100000114.3C121 F122C121-G125 PolarHBondContact O-N 3.3Å; F122-G125 PolarHBondContact O-N 2.71Å
126N92.3Very high92.8Very high18 Ų1826.2 Ų26.210%0.09613%0.125CC..EExtended strand (participates in β ladder)trans-134.8163.1-173.5-162.714.8000112.6C121 T124C121-N126 PolarHBondContact N-O 2.98Å; C121-N126 PolarHBondContact O-N 2.91Å; T124-N126 PolarHBondContact O-N 3.45Å; T124-N126 VanDerWaalsContact O-N 3.14Å; T124-N126 PolarHBondContact OG1-N 3.2Å
127C93.6Very high93.3Very high0 Ų021.2 Ų21.20%011%0.106CC..EExtended strand (participates in β ladder)trans-74.9139.8171.1-79.40000112.1C107 C110 I114 R117 H119 H120 N132C107-C127 PolarHBondContact SG-SG 3.48Å; C110-C127 PolarHBondContact SG-SG 3.33Å; I114-C127 HydrophobicContact CD1-CB 3.75Å; I114-C127 HydrophobicContact CG1-CB 3.8Å; I114-C127 HydrophobicContact CG2-CB 4.06Å; R117-C127 PolarHBondContact NH1-SG 3.32Å; H119-C127 WeakPolarHBondContact O-CA 3.28Å; H120-C127 PolarHBondContact ND1-SG 3.49Å; C127-N132 PolarHBondContact O-ND2 3.44Å
128I95.4Very high93.8Very high0 Ų019.6 Ų19.60%010%0.1CC..EExtended strand (participates in β ladder)trans-96.6134170.5-49.1-53.4000108.3T71 D118 H119 C121 N132 M133 F136T71-I128 HydrophobicContact CG2-CD1 3.42Å; T71-I128 VanDerWaalsContact CG2-CD1 3.42Å; D118-I128 HydrophobicContact CB-CB 4.48Å; D118-I128 HydrophobicContact CB-CG2 4.47Å; D118-I128 PolarHBondContact N-O 3.41Å; H119-I128 PolarHBondContact O-N 2.96Å; C121-I128 HydrophobicContact CB-CD1 4.11Å; C121-I128 HydrophobicContact CB-CG1 3.85Å; I128-N132 WeakPolarHBondContact CA-OD1 3.45Å; I128-M133 HydrophobicContact CG2-CE 3.93Å; I128-M133 HydrophobicContact CG2-SD 3.99Å; I128-F136 HydrophobicContact CD1-CB 4.12Å; I128-F136 HydrophobicContact CD1-CD2 3.74Å; I128-F136 HydrophobicContact CD1-CE2 4.47Å; I128-F136 HydrophobicContact CD1-CG 4.05Å; I128-F136 HydrophobicContact CG1-CD2 3.93Å; I128-F136 HydrophobicContact CG1-CE2 4.32Å; I128-F136 HydrophobicContact CG1-CG 4.09Å; I128-F136 HydrophobicContact CG2-CB 3.95Å; I128-F136 HydrophobicContact CG2-CD1 4.15Å; I128-F136 HydrophobicContact CG2-CG 4Å
129G91.9Very high94Very high1 Ų120 Ų201%0.0110%0.101CC..SBendtrans-166.9-155.9178.100000110.7R116 K131 N132 M133R116-G129 VanDerWaalsContact O-CA 3.29Å; R116-G129 WeakPolarHBondContact O-CA 3.28Å; G129-K131 PolarHBondContact O-N 2.84Å; G129-N132 PolarHBondContact N-OD1 3.44Å; G129-N132 PolarHBondContact O-N 3.09Å; G129-N132 PolarHBondContact O-OD1 2.85Å; G129-N132 VanDerWaalsContact O-OD1 3.13Å; G129-M133 VanDerWaalsContact O-CB 3.32Å; G129-M133 WeakPolarHBondContact O-CB 3.26Å; G129-M133 PolarHBondContact O-N 2.85Å
130N86.8Confident94.3Very high58 Ų5819 Ų1931%0.3110%0.097SC..THydrogen-bonded Turntrans-53.7-49-167.3-16061.6000114F115 R116 N132F115-N130 HydrophobicContact CD1-CB 3.91Å; F115-N130 HydrophobicContact CE1-CB 4.31Å; F115-N130 PolarHBondContact O-N 3.41Å; R116-N130 HydrophobicContact CB-CB 4.16Å; R116-N130 WeakPolarHBondContact CD-OD1 3.38Å; R116-N130 PolarHBondContact NH1-OD1 3.27Å; N130-N132 PolarHBondContact O-N 3.13Å
131K88.8Confident94.5Very high63 Ų6320.8 Ų20.827%0.27411%0.107SC..THydrogen-bonded Turntrans-72.4-22.4-171.3-67.5178.5174.3173.30114.3E77 D79 G129 M266E77-K131 PolarHBondContact O-NZ 3.2Å; D79-K131 IonicContact OD1-NZ 3.14Å; D79-K131 PolarHBondContact OD1-NZ 2.87Å; D79-K131 IonicContact OD2-NZ 3.44Å; D79-K131 PolarHBondContact OD2-NZ 3.5Å; G129-K131 PolarHBondContact O-N 2.84Å; K131-M266 HydrophobicContact CD-SD 4.31Å; K131-M266 HydrophobicContact CG-SD 4.29Å
132N93.9Very high94.7Very high0 Ų021.4 Ų21.40%011%0.108CC..THydrogen-bonded Turntrans-124.51.7-176.458.88000115.7T71 Y74 C127 I128 G129 N130 R134 Y135 F136T71-N132 HydrophobicContact CG2-CB 4.27Å; T71-N132 PolarHBondContact O-ND2 3.34Å; Y74-N132 VanDerWaalsContact O-CB 3.3Å; Y74-N132 WeakPolarHBondContact O-CB 3.28Å; C127-N132 PolarHBondContact O-ND2 3.44Å; I128-N132 WeakPolarHBondContact CA-OD1 3.45Å; G129-N132 PolarHBondContact N-OD1 3.44Å; G129-N132 PolarHBondContact O-N 3.09Å; G129-N132 PolarHBondContact O-OD1 2.85Å; G129-N132 VanDerWaalsContact O-OD1 3.13Å; N130-N132 PolarHBondContact O-N 3.13Å; N132-R134 VanDerWaalsContact C-N 3.3Å; N132-R134 PolarHBondContact O-N 3.05Å; N132-Y135 HydrophobicContact CB-CD2 4.34Å; N132-Y135 PolarHBondContact O-N 2.74Å; N132-F136 PolarHBondContact O-N 3.38Å
133M94.7Very high94.8Very high11 Ų1119.2 Ų19.25%0.05410%0.099CC..Hα-helixtrans-54.6-44.9180-179.357.679.100112.3D118 I128 G129 Y135 F136 I137 V220 V248D118-M133 HydrophobicContact CB-CE 3.47Å; D118-M133 VanDerWaalsContact CB-CE 3.47Å; D118-M133 VanDerWaalsContact CG-CE 3.47Å; I128-M133 HydrophobicContact CG2-CE 3.93Å; I128-M133 HydrophobicContact CG2-SD 3.99Å; G129-M133 VanDerWaalsContact O-CB 3.32Å; G129-M133 WeakPolarHBondContact O-CB 3.26Å; G129-M133 PolarHBondContact O-N 2.85Å; M133-Y135 PolarHBondContact O-N 3.32Å; M133-F136 WeakPolarHBondContact O-CB 3.35Å; M133-F136 PolarHBondContact O-N 2.81Å; M133-F136 HydrophobicContact SD-CD1 4.46Å; M133-I137 HydrophobicContact CG-CD1 3.98Å; M133-I137 WeakPolarHBondContact O-CG1 3.41Å; M133-I137 PolarHBondContact O-N 3.03Å; M133-I137 HydrophobicContact SD-CD1 4.07Å; M133-I137 HydrophobicContact SD-CG1 4.17Å; M133-V220 HydrophobicContact CG-CG2 4.08Å; M133-V248 HydrophobicContact CB-CG1 4.06Å; M133-V248 HydrophobicContact CG-CG1 3.82Å; M133-V248 HydrophobicContact CG-CG2 4.48Å
134R94.6Very high95Very high9 Ų916 Ų163%0.0349%0.088CC..Hα-helixtrans-57.2-50.4177.4162.7174.8165.3-106.7-13.4112.3N132 F136 I137 M138 V248 F249 G256 V261 T263N132-R134 VanDerWaalsContact C-N 3.3Å; N132-R134 PolarHBondContact O-N 3.05Å; R134-F136 VanDerWaalsContact C-N 3.25Å; R134-F136 PolarHBondContact O-N 2.74Å; R134-I137 PolarHBondContact O-N 2.93Å; R134-M138 WeakPolarHBondContact O-CG 3.37Å; R134-M138 PolarHBondContact O-N 3.03Å; R134-V248 HydrophobicContact CB-CG1 4.03Å; R134-V248 WeakPolarHBondContact CB-O 3.34Å; R134-F249 HydrophobicContact CB-CD1 4.26Å; R134-F249 HydrophobicContact CB-CE1 4.46Å; R134-F249 HydrophobicContact CG-CD1 3.85Å; R134-F249 HydrophobicContact CG-CE1 4.2Å; R134-G256 PolarHBondContact NH2-O 3.31Å; R134-V261 PolarHBondContact NH1-O 3.25Å; R134-V261 PolarHBondContact NH2-O 3.35Å; R134-T263 VanDerWaalsContact CD-OG1 3.26Å; R134-T263 WeakPolarHBondContact CD-OG1 3.32Å; R134-T263 VanDerWaalsContact CZ-CG2 3.48Å; R134-T263 PolarHBondContact NE-OG1 2.99Å; R134-T263 VanDerWaalsContact NE-OG1 3.08Å; R134-T263 VanDerWaalsContact NH1-N 3.2Å; R134-T263 PolarHBondContact NH1-OG1 3.16Å
135Y96Very high95.2Very high9 Ų918.3 Ų18.34%0.03510%0.103CC..Hα-helixtrans-63.8-37.7-178.1-55.5-58.7000110.4M70 T71 Y74 N132 M133 M138 F139 Q262M70-Y135 HydrophobicContact CB-CD1 3.52Å; M70-Y135 HydrophobicContact CB-CD2 3.91Å; M70-Y135 HydrophobicContact CB-CE1 3.85Å; M70-Y135 HydrophobicContact CB-CE2 4.24Å; M70-Y135 HydrophobicContact CB-CG 3.56Å; M70-Y135 HydrophobicContact CE-CE1 3.71Å; M70-Y135 HydrophobicContact CE-CE2 4.44Å; M70-Y135 WeakPolarHBondContact CE-OH 3.34Å; M70-Y135 HydrophobicContact CG-CD1 4.27Å; M70-Y135 HydrophobicContact CG-CE1 4.29Å; T71-Y135 VanDerWaalsContact OG1-C 3.23Å; T71-Y135 VanDerWaalsContact OG1-CB 3.26Å; T71-Y135 WeakPolarHBondContact OG1-CB 3.33Å; Y74-Y135 AromaticContact CD2-CE2 3.9Å; Y74-Y135 HydrophobicContact CD2-CE2 3.9Å; Y74-Y135 HydrophobicContact CG-CE2 4.04Å; N132-Y135 HydrophobicContact CB-CD2 4.34Å; N132-Y135 PolarHBondContact O-N 2.74Å; M133-Y135 PolarHBondContact O-N 3.32Å; Y135-M138 PolarHBondContact O-N 2.9Å; Y135-F139 VanDerWaalsContact O-CB 3.22Å; Y135-F139 WeakPolarHBondContact O-CB 3.4Å; Y135-F139 PolarHBondContact O-N 3.04Å; Y135-Q262 VanDerWaalsContact OH-CA 3.27Å; Y135-Q262 WeakPolarHBondContact OH-CA 3.35Å
136F96.6Very high95.5Very high6 Ų617.3 Ų17.33%0.0269%0.092CC..Hα-helixtrans-61.9-46175.1178-101.6000112.2T71 H119 C121 I128 N132 M133 R134 M138 F139 C140 Q216T71-F136 HydrophobicContact CG2-CB 4.31Å; T71-F136 PolarHBondContact OG1-N 3.28Å; T71-F136 VanDerWaalsContact OG1-N 3.14Å; H119-F136 AromaticContact CE1-CE1 3.7Å; H119-F136 AromaticContact CE1-CZ 3.69Å; H119-F136 AromaticContact NE2-CZ 3.67Å; C121-F136 HydrophobicContact CB-CE2 4.48Å; I128-F136 HydrophobicContact CD1-CB 4.12Å; I128-F136 HydrophobicContact CD1-CD2 3.74Å; I128-F136 HydrophobicContact CD1-CE2 4.47Å; I128-F136 HydrophobicContact CD1-CG 4.05Å; I128-F136 HydrophobicContact CG1-CD2 3.93Å; I128-F136 HydrophobicContact CG1-CE2 4.32Å; I128-F136 HydrophobicContact CG1-CG 4.09Å; I128-F136 HydrophobicContact CG2-CB 3.95Å; I128-F136 HydrophobicContact CG2-CD1 4.15Å; I128-F136 HydrophobicContact CG2-CG 4Å; N132-F136 PolarHBondContact O-N 3.38Å; M133-F136 WeakPolarHBondContact O-CB 3.35Å; M133-F136 PolarHBondContact O-N 2.81Å; M133-F136 HydrophobicContact SD-CD1 4.46Å; R134-F136 VanDerWaalsContact C-N 3.25Å; R134-F136 PolarHBondContact O-N 2.74Å; F136-M138 PolarHBondContact O-N 3.39Å; F136-F139 HydrophobicContact CD2-CD1 4.26Å; F136-F139 HydrophobicContact CE2-CD1 4.45Å; F136-F139 WeakPolarHBondContact O-CB 3.42Å; F136-F139 PolarHBondContact O-N 2.91Å; F136-C140 PolarHBondContact O-N 3.3Å; F136-C140 PolarHBondContact O-SG 3.14Å; F136-C140 VanDerWaalsContact O-SG 3.41Å; F136-Q216 HydrophobicContact CE1-CG 4.08Å
137I96.8Very high95.8Very high1 Ų116.8 Ų16.81%0.0059%0.089CC..Hα-helixtrans-62-45.7177-66.2168.8000110.7M133 R134 F139 C140 I141 Q216 V217 V220 F249M133-I137 HydrophobicContact CG-CD1 3.98Å; M133-I137 WeakPolarHBondContact O-CG1 3.41Å; M133-I137 PolarHBondContact O-N 3.03Å; M133-I137 HydrophobicContact SD-CD1 4.07Å; M133-I137 HydrophobicContact SD-CG1 4.17Å; R134-I137 PolarHBondContact O-N 2.93Å; I137-F139 PolarHBondContact O-N 3.45Å; I137-C140 PolarHBondContact O-N 3.18Å; I137-I141 HydrophobicContact CG2-CD1 3.92Å; I137-I141 HydrophobicContact CG2-CG1 4.45Å; I137-I141 WeakPolarHBondContact O-CG1 3.36Å; I137-I141 PolarHBondContact O-N 3.48Å; I137-Q216 HydrophobicContact CD1-CB 4.26Å; I137-Q216 HydrophobicContact CG1-CB 4.06Å; I137-V217 HydrophobicContact CD1-CG2 4.43Å; I137-V217 HydrophobicContact CG2-CG2 4Å; I137-V220 HydrophobicContact CD1-CG2 4.29Å; I137-F249 HydrophobicContact CB-CE1 4.35Å; I137-F249 HydrophobicContact CB-CZ 4.15Å; I137-F249 HydrophobicContact CD1-CE2 4.3Å; I137-F249 HydrophobicContact CD1-CZ 3.69Å; I137-F249 HydrophobicContact CG2-CE1 4.23Å; I137-F249 HydrophobicContact CG2-CZ 3.85Å
138M97.2Very high96Very high5 Ų521.8 Ų21.83%0.02511%0.114CC..Hα-helixtrans-64.5-39.2177.7-69.4-58.4172.700112.3N67 R134 Y135 F136 C140 I141 Y142 F249 L257N67-M138 HydrophobicContact CB-CB 4.12Å; N67-M138 VanDerWaalsContact CG-CB 3.44Å; N67-M138 WeakPolarHBondContact OD1-CB 3.44Å; R134-M138 WeakPolarHBondContact O-CG 3.37Å; R134-M138 PolarHBondContact O-N 3.03Å; Y135-M138 PolarHBondContact O-N 2.9Å; F136-M138 PolarHBondContact O-N 3.39Å; M138-C140 VanDerWaalsContact C-N 3.33Å; M138-C140 PolarHBondContact O-N 3.03Å; M138-I141 PolarHBondContact O-N 3.44Å; M138-I141 HydrophobicContact SD-CD1 4.12Å; M138-Y142 WeakPolarHBondContact O-CB 3.31Å; M138-Y142 VanDerWaalsContact O-CD2 3.31Å; M138-Y142 WeakPolarHBondContact O-CD2 3.44Å; M138-Y142 PolarHBondContact O-N 3.45Å; M138-F249 HydrophobicContact CE-CD1 3.82Å; M138-F249 HydrophobicContact CE-CE1 3.66Å; M138-L257 HydrophobicContact CE-CD2 3.42Å; M138-L257 VanDerWaalsContact CE-CD2 3.42Å; M138-L257 HydrophobicContact CE-CG 3.96Å; M138-L257 HydrophobicContact SD-CD2 3.84Å
139F97.8Very high96.2Very high11 Ų1123.7 Ų23.75%0.04812%0.121CC..Hα-helixtrans-56.4-46.8171.8161.2-116.6000111.2F19 N67 Y68 Y135 F136 I137 T143F19-F139 HydrophobicContact CD2-CZ 4.43Å; F19-F139 HydrophobicContact CE1-CE2 4.49Å; F19-F139 AromaticContact CE2-CE2 3.65Å; F19-F139 HydrophobicContact CE2-CE2 3.65Å; F19-F139 AromaticContact CE2-CZ 3.96Å; F19-F139 HydrophobicContact CE2-CZ 3.96Å; F19-F139 AromaticContact CZ-CE2 3.63Å; F19-F139 HydrophobicContact CZ-CE2 3.63Å; F19-F139 HydrophobicContact CZ-CZ 4.21Å; N67-F139 HydrophobicContact CB-CB 3.99Å; Y68-F139 HydrophobicContact CD2-CD2 4.21Å; Y68-F139 HydrophobicContact CD2-CE1 4.33Å; Y68-F139 AromaticContact CD2-CE2 3.78Å; Y68-F139 HydrophobicContact CD2-CE2 3.78Å; Y68-F139 AromaticContact CD2-CZ 3.85Å; Y68-F139 HydrophobicContact CD2-CZ 3.85Å; Y68-F139 HydrophobicContact CG-CE2 4.43Å; Y135-F139 VanDerWaalsContact O-CB 3.22Å; Y135-F139 WeakPolarHBondContact O-CB 3.4Å; Y135-F139 PolarHBondContact O-N 3.04Å; F136-F139 HydrophobicContact CD2-CD1 4.26Å; F136-F139 HydrophobicContact CE2-CD1 4.45Å; F136-F139 WeakPolarHBondContact O-CB 3.42Å; F136-F139 PolarHBondContact O-N 2.91Å; I137-F139 PolarHBondContact O-N 3.45Å; F139-T143 VanDerWaalsContact CD2-OG1 3.3Å; F139-T143 WeakPolarHBondContact CD2-OG1 3.32Å; F139-T143 WeakPolarHBondContact CE2-OG1 3.31Å; F139-T143 WeakPolarHBondContact O-CB 3.27Å; F139-T143 PolarHBondContact O-N 2.95Å; F139-T143 PolarHBondContact O-OG1 2.89Å
140C98.3Very high96.5Very high4 Ų423.7 Ų23.73%0.02712%0.121CC..Hα-helixtrans-63.5-44.6177-69.60000112.6F136 I137 M138 S144 C209 C213F136-C140 PolarHBondContact O-N 3.3Å; F136-C140 PolarHBondContact O-SG 3.14Å; F136-C140 VanDerWaalsContact O-SG 3.41Å; I137-C140 PolarHBondContact O-N 3.18Å; M138-C140 VanDerWaalsContact C-N 3.33Å; M138-C140 PolarHBondContact O-N 3.03Å; C140-S144 WeakPolarHBondContact O-CB 3.27Å; C140-S144 PolarHBondContact O-N 3.3Å; C140-C209 HydrophobicContact CB-CB 4.33Å; C140-C209 WeakPolarHBondContact O-CB 3.27Å; C140-C213 HydrophobicContact CB-CB 3.98Å
141I97.9Very high97.1Very high54 Ų5421.9 Ų21.928%0.27711%0.111SC..Hα-helixtrans-59.1-55.9177.8-68.1168.7000110.1I137 M138 T143 S144 C145 C213I137-I141 HydrophobicContact CG2-CD1 3.92Å; I137-I141 HydrophobicContact CG2-CG1 4.45Å; I137-I141 WeakPolarHBondContact O-CG1 3.36Å; I137-I141 PolarHBondContact O-N 3.48Å; M138-I141 PolarHBondContact O-N 3.44Å; M138-I141 HydrophobicContact SD-CD1 4.12Å; I141-T143 PolarHBondContact O-N 3.43Å; I141-S144 WeakPolarHBondContact O-CB 3.41Å; I141-S144 PolarHBondContact O-N 3.44Å; I141-S144 VanDerWaalsContact O-N 3.15Å; I141-C145 PolarHBondContact O-N 3.24Å; I141-C145 PolarHBondContact O-SG 3.43Å; I141-C145 VanDerWaalsContact O-SG 3.34Å; I141-C213 HydrophobicContact CG1-CB 4.41Å; I141-C213 WeakPolarHBondContact CG1-SG 3.35Å
142Y98.5Very high97.5Very high22 Ų2223.1 Ų23.19%0.08612%0.124CC..Hα-helixtrans-67-36.8-175.5-82.8-72000112.8F59 L60 N63 M138 S144 C145 V146 L257F59-Y142 AromaticContact CE1-CE1 3.9Å; F59-Y142 HydrophobicContact CE1-CE1 3.9Å; F59-Y142 HydrophobicContact CZ-CE1 4.34Å; L60-Y142 HydrophobicContact CD2-CD1 3.9Å; L60-Y142 HydrophobicContact CD2-CE1 4.02Å; N63-Y142 HydrophobicContact CB-CD1 3.46Å; N63-Y142 VanDerWaalsContact CB-CD1 3.46Å; N63-Y142 HydrophobicContact CB-CD2 3.56Å; N63-Y142 HydrophobicContact CB-CE1 3.55Å; N63-Y142 HydrophobicContact CB-CE2 3.62Å; N63-Y142 HydrophobicContact CB-CG 3.47Å; N63-Y142 VanDerWaalsContact CB-CG 3.47Å; M138-Y142 WeakPolarHBondContact O-CB 3.31Å; M138-Y142 VanDerWaalsContact O-CD2 3.31Å; M138-Y142 WeakPolarHBondContact O-CD2 3.44Å; M138-Y142 PolarHBondContact O-N 3.45Å; Y142-S144 VanDerWaalsContact C-N 3.33Å; Y142-S144 PolarHBondContact O-N 3.01Å; Y142-C145 PolarHBondContact O-N 2.98Å; Y142-V146 WeakPolarHBondContact O-CG2 3.38Å; Y142-V146 PolarHBondContact O-N 3.4Å; Y142-L257 VanDerWaalsContact CE2-O 3.28Å; Y142-L257 WeakPolarHBondContact CE2-O 3.38Å; Y142-L257 VanDerWaalsContact CZ-O 3.26Å; Y142-L257 PolarHBondContact OH-O 3.23Å
143T98.6Very high97.7Very high8 Ų823.6 Ų23.65%0.04913%0.126CC..Hα-helixtrans-62.8-42.1173-58.10000110.9F139 I141 C145 V146 C147 I205F139-T143 VanDerWaalsContact CD2-OG1 3.3Å; F139-T143 WeakPolarHBondContact CD2-OG1 3.32Å; F139-T143 WeakPolarHBondContact CE2-OG1 3.31Å; F139-T143 WeakPolarHBondContact O-CB 3.27Å; F139-T143 PolarHBondContact O-N 2.95Å; F139-T143 PolarHBondContact O-OG1 2.89Å; I141-T143 PolarHBondContact O-N 3.43Å; T143-C145 PolarHBondContact O-N 3.45Å; T143-V146 PolarHBondContact O-N 2.86Å; T143-C147 WeakPolarHBondContact O-CB 3.33Å; T143-C147 PolarHBondContact O-N 3.18Å; T143-C147 PolarHBondContact O-SG 3.35Å; T143-I205 HydrophobicContact CG2-CG2 3.76Å
144S98.6Very high97.8Very high21 Ų2123.1 Ų23.115%0.14713%0.125CC..Hα-helixtrans-61-43.9174.9-168.80000111.9C140 I141 Y142 C147 M148 G206C140-S144 WeakPolarHBondContact O-CB 3.27Å; C140-S144 PolarHBondContact O-N 3.3Å; I141-S144 WeakPolarHBondContact O-CB 3.41Å; I141-S144 PolarHBondContact O-N 3.44Å; I141-S144 VanDerWaalsContact O-N 3.15Å; Y142-S144 VanDerWaalsContact C-N 3.33Å; Y142-S144 PolarHBondContact O-N 3.01Å; S144-C147 PolarHBondContact O-N 3.38Å; S144-M148 WeakPolarHBondContact O-CB 3.35Å; S144-M148 PolarHBondContact O-N 3.48Å; S144-G206 PolarHBondContact OG-O 2.84Å
145C98.6Very high97.9Very high54 Ų5424.4 Ų24.437%0.36513%0.133SC..Hα-helixtrans-63.5-45.5175.5-65.70000112.8L60 I141 Y142 T143 C147 M148 Y149L60-C145 HydrophobicContact CD1-CB 4.43Å; L60-C145 HydrophobicContact CD2-CB 3.91Å; I141-C145 PolarHBondContact O-N 3.24Å; I141-C145 PolarHBondContact O-SG 3.43Å; I141-C145 VanDerWaalsContact O-SG 3.34Å; Y142-C145 PolarHBondContact O-N 2.98Å; T143-C145 PolarHBondContact O-N 3.45Å; C145-C147 VanDerWaalsContact C-N 3.33Å; C145-C147 PolarHBondContact O-N 3.17Å; C145-M148 PolarHBondContact O-N 3.16Å; C145-Y149 VanDerWaalsContact O-CB 3.25Å; C145-Y149 WeakPolarHBondContact O-CB 3.23Å; C145-Y149 PolarHBondContact O-N 3Å
146V98.7Very high98Very high9 Ų925.6 Ų25.66%0.05515%0.145CC..Hα-helixtrans-58.6-46.6175.2170.50000110.2F57 L60 M61 A64 Y142 T143 Y149 S150F57-V146 HydrophobicContact CE2-CG1 4.33Å; L60-V146 HydrophobicContact CB-CG2 3.53Å; M61-V146 HydrophobicContact CE-CG1 3.71Å; M61-V146 HydrophobicContact SD-CG1 4.43Å; A64-V146 HydrophobicContact CB-CG2 4.26Å; Y142-V146 WeakPolarHBondContact O-CG2 3.38Å; Y142-V146 PolarHBondContact O-N 3.4Å; T143-V146 PolarHBondContact O-N 2.86Å; V146-Y149 PolarHBondContact O-N 3.25Å; V146-S150 VanDerWaalsContact O-CB 3.27Å; V146-S150 WeakPolarHBondContact O-CB 3.43Å; V146-S150 PolarHBondContact O-N 2.96Å; V146-S150 PolarHBondContact O-OG 3.36Å
147C98.8Very high98Very high7 Ų725.6 Ų25.65%0.04715%0.145CC..Hα-helixtrans-63.6-45.2179.3-73.10000112.3T143 S144 C145 Y149 S150 L151 W202T143-C147 WeakPolarHBondContact O-CB 3.33Å; T143-C147 PolarHBondContact O-N 3.18Å; T143-C147 PolarHBondContact O-SG 3.35Å; S144-C147 PolarHBondContact O-N 3.38Å; C145-C147 VanDerWaalsContact C-N 3.33Å; C145-C147 PolarHBondContact O-N 3.17Å; C147-Y149 VanDerWaalsContact C-N 3.35Å; C147-Y149 PolarHBondContact O-N 3.14Å; C147-S150 PolarHBondContact O-N 3.48Å; C147-L151 VanDerWaalsContact O-CB 3.29Å; C147-L151 WeakPolarHBondContact O-CB 3.39Å; C147-L151 PolarHBondContact O-N 3.02Å; C147-W202 HydrophobicContact CB-CB 4.16Å; C147-W202 VanDerWaalsContact CB-O 3.28Å; C147-W202 WeakPolarHBondContact CB-O 3.4Å
148M98.6Very high98.1Very high104 Ų10425.6 Ų25.651%0.51215%0.145SC..Hα-helixtrans-61.6-44.5176.4-174.963.173.300111.3S144 C145 L151 V152S144-M148 WeakPolarHBondContact O-CB 3.35Å; S144-M148 PolarHBondContact O-N 3.48Å; C145-M148 PolarHBondContact O-N 3.16Å; M148-L151 WeakPolarHBondContact O-CB 3.34Å; M148-L151 PolarHBondContact O-N 3.19Å; M148-L151 HydrophobicContact SD-CD2 4.29Å; M148-V152 WeakPolarHBondContact O-CG2 3.37Å; M148-V152 PolarHBondContact O-N 2.89Å
149Y98.5Very high98Very high41 Ų4128.2 Ų28.216%0.16116%0.161CC..Hα-helixtrans-62.8-44.7178.1-171.1-96.6000112.1H30 H53 V56 F57 L60 C145 V146 C147 L151 V152 L153H30-Y149 AromaticContact NE2-CD1 3.99Å; H53-Y149 WeakPolarHBondContact CA-OH 3.17Å; H53-Y149 WeakPolarHBondContact CB-OH 3.26Å; H53-Y149 VanDerWaalsContact CG-OH 3.29Å; H53-Y149 AromaticContact ND1-CZ 3.66Å; H53-Y149 PolarHBondContact ND1-OH 3.11Å; H53-Y149 PolarHBondContact O-OH 2.86Å; V56-Y149 HydrophobicContact CB-CE2 4.49Å; V56-Y149 HydrophobicContact CG1-CD2 4.22Å; V56-Y149 HydrophobicContact CG1-CE2 3.72Å; F57-Y149 HydrophobicContact CB-CE1 4.03Å; F57-Y149 HydrophobicContact CD2-CD1 4.23Å; F57-Y149 HydrophobicContact CD2-CE1 4.44Å; L60-Y149 HydrophobicContact CD1-CG 4.27Å; C145-Y149 VanDerWaalsContact O-CB 3.25Å; C145-Y149 WeakPolarHBondContact O-CB 3.23Å; C145-Y149 PolarHBondContact O-N 3Å; V146-Y149 PolarHBondContact O-N 3.25Å; C147-Y149 VanDerWaalsContact C-N 3.35Å; C147-Y149 PolarHBondContact O-N 3.14Å; Y149-L151 VanDerWaalsContact C-N 3.33Å; Y149-L151 PolarHBondContact O-N 3.43Å; Y149-V152 PolarHBondContact O-N 3.13Å; Y149-L153 HydrophobicContact CD1-CD1 4.01Å; Y149-L153 HydrophobicContact CD1-CG 4.48Å; Y149-L153 HydrophobicContact CE1-CD1 3.41Å; Y149-L153 VanDerWaalsContact CE1-CD1 3.41Å; Y149-L153 HydrophobicContact CE1-CG 4.14Å; Y149-L153 PolarHBondContact O-N 3.07Å
150S98.6Very high97.9Very high0 Ų031.9 Ų31.90%019%0.185CC..Hα-helixtrans-63.4-38.5176.4-55.70000112.1T26 H30 V146 C147 G154 W202T26-S150 VanDerWaalsContact CG2-OG 3.29Å; T26-S150 WeakPolarHBondContact CG2-OG 3.42Å; H30-S150 PolarHBondContact CE1-OG 2.9Å; V146-S150 VanDerWaalsContact O-CB 3.27Å; V146-S150 WeakPolarHBondContact O-CB 3.43Å; V146-S150 PolarHBondContact O-N 2.96Å; V146-S150 PolarHBondContact O-OG 3.36Å; C147-S150 PolarHBondContact O-N 3.48Å; S150-G154 PolarHBondContact O-N 3.42Å; S150-W202 WeakPolarHBondContact O-CZ3 3.49Å
151L98.2Very high97.8Very high21 Ų2136.6 Ų36.611%0.1121%0.206CC..Hα-helixtrans-61.4-47.4174.8-178.677000110.8C147 M148 Y149 G154 V155 F172 L199 W202 L203C147-L151 VanDerWaalsContact O-CB 3.29Å; C147-L151 WeakPolarHBondContact O-CB 3.39Å; C147-L151 PolarHBondContact O-N 3.02Å; M148-L151 WeakPolarHBondContact O-CB 3.34Å; M148-L151 PolarHBondContact O-N 3.19Å; M148-L151 HydrophobicContact SD-CD2 4.29Å; Y149-L151 VanDerWaalsContact C-N 3.33Å; Y149-L151 PolarHBondContact O-N 3.43Å; L151-G154 PolarHBondContact O-N 2.96Å; L151-V155 WeakPolarHBondContact O-CG2 3.29Å; L151-V155 PolarHBondContact O-N 2.95Å; L151-F172 HydrophobicContact CD1-CE2 4.3Å; L151-F172 HydrophobicContact CD1-CZ 4.4Å; L151-L199 HydrophobicContact CD1-CB 4.01Å; L151-L199 HydrophobicContact CD1-CD2 3.74Å; L151-L199 HydrophobicContact CD1-CG 4.48Å; L151-L199 VanDerWaalsContact CD1-O 3.28Å; L151-L199 WeakPolarHBondContact CD1-O 3.32Å; L151-W202 HydrophobicContact CB-CB 4.46Å; L151-L203 HydrophobicContact CD1-CB 4.33Å; L151-L203 HydrophobicContact CD2-CD1 4.19Å
152V97.6Very high97.7Very high89 Ų8936.8 Ų36.854%0.53920%0.204SC..Hα-helixtrans-62.2-47.3178.4172.20000111.4M148 Y149 V155 A156M148-V152 WeakPolarHBondContact O-CG2 3.37Å; M148-V152 PolarHBondContact O-N 2.89Å; Y149-V152 PolarHBondContact O-N 3.13Å; V152-V155 PolarHBondContact O-N 2.78Å; V152-A156 PolarHBondContact O-N 2.94Å
153L97.7Very high97.5Very high9 Ų941 Ų415%0.04724%0.236CC..Hα-helixtrans-66.6-36.4177.4-72.7-174.1000112.5F34 I38 Y149 A156 F157F34-L153 HydrophobicContact CD2-CB 3.77Å; F34-L153 HydrophobicContact CE2-CB 4.3Å; F34-L153 HydrophobicContact CG-CB 4.4Å; I38-L153 HydrophobicContact CD1-CD2 4.12Å; Y149-L153 HydrophobicContact CD1-CD1 4.01Å; Y149-L153 HydrophobicContact CD1-CG 4.48Å; Y149-L153 HydrophobicContact CE1-CD1 3.41Å; Y149-L153 VanDerWaalsContact CE1-CD1 3.41Å; Y149-L153 HydrophobicContact CE1-CG 4.14Å; Y149-L153 PolarHBondContact O-N 3.07Å; L153-A156 PolarHBondContact O-N 2.99Å; L153-F157 WeakPolarHBondContact O-CB 3.33Å; L153-F157 PolarHBondContact O-N 3.4Å
154G97.9Very high97.4Very high2 Ų241.8 Ų41.82%0.02124%0.24CC..Hα-helixtrans-66.7-38.7175.700000112.7F34 S150 L151 F157 L158F34-G154 VanDerWaalsContact CZ-CA 3.44Å; S150-G154 PolarHBondContact O-N 3.42Å; L151-G154 PolarHBondContact O-N 2.96Å; G154-F157 PolarHBondContact O-N 2.88Å; G154-L158 WeakPolarHBondContact O-CG 3.25Å; G154-L158 PolarHBondContact O-N 3.15Å
155V97.3Very high97.2Very high36 Ų3643.6 Ų43.622%0.21825%0.252CS..Hα-helixtrans-61-49.6171.7163.70000110.1L151 V152 F157 L158 T159 F166 L199L151-V155 WeakPolarHBondContact O-CG2 3.29Å; L151-V155 PolarHBondContact O-N 2.95Å; V152-V155 PolarHBondContact O-N 2.78Å; V155-F157 VanDerWaalsContact C-N 3.32Å; V155-F157 PolarHBondContact O-N 3.34Å; V155-L158 PolarHBondContact O-N 2.91Å; V155-T159 PolarHBondContact O-N 3.44Å; V155-T159 PolarHBondContact O-OG1 3.22Å; V155-F166 HydrophobicContact CB-CE2 4.49Å; V155-F166 HydrophobicContact CG1-CB 4.28Å; V155-F166 HydrophobicContact CG1-CD2 3.62Å; V155-F166 HydrophobicContact CG1-CE2 4.01Å; V155-F166 HydrophobicContact CG1-CG 3.91Å; V155-F166 HydrophobicContact CG2-CE1 4.38Å; V155-F166 HydrophobicContact CG2-CE2 4.5Å; V155-F166 HydrophobicContact CG2-CZ 4.35Å; V155-L199 HydrophobicContact CG2-CD2 4.14Å
156A96.7Very high97Very high34 Ų3443 Ų4328%0.28124%0.244SC..Hα-helixtrans-58.2-43.9177.600000112I38 V152 L153 T159 V160I38-A156 HydrophobicContact CD1-CB 3.93Å; V152-A156 PolarHBondContact O-N 2.94Å; L153-A156 PolarHBondContact O-N 2.99Å; A156-T159 PolarHBondContact O-N 3.48Å; A156-V160 WeakPolarHBondContact O-CG2 3.35Å; A156-V160 PolarHBondContact O-N 3.39Å
157F97.6Very high96.6Very high5 Ų551.1 Ų51.12%0.02228%0.281CS..Hα-helixtrans-60.5-48175.7179.7-89.9000112.1L33 F34 T37 I38 L153 G154 V155 T159 V160 E161 Y162 L195L33-F157 HydrophobicContact CB-CD2 4.42Å; L33-F157 HydrophobicContact CB-CE2 3.77Å; L33-F157 HydrophobicContact CB-CZ 4.03Å; L33-F157 HydrophobicContact CD1-CZ 4.48Å; F34-F157 HydrophobicContact CD1-CB 3.57Å; F34-F157 HydrophobicContact CD1-CD1 4.23Å; F34-F157 AromaticContact CD1-CD2 3.67Å; F34-F157 HydrophobicContact CD1-CD2 3.67Å; F34-F157 HydrophobicContact CD1-CE2 4.42Å; F34-F157 AromaticContact CD1-CG 3.54Å; F34-F157 HydrophobicContact CD1-CG 3.54Å; F34-F157 HydrophobicContact CE1-CB 3.74Å; F34-F157 AromaticContact CE1-CD1 4Å; F34-F157 HydrophobicContact CE1-CD1 4Å; F34-F157 HydrophobicContact CE1-CD2 4.27Å; F34-F157 AromaticContact CE1-CG 3.73Å; F34-F157 HydrophobicContact CE1-CG 3.73Å; F34-F157 HydrophobicContact CG-CB 4.4Å; T37-F157 HydrophobicContact CG2-CD2 3.9Å; T37-F157 HydrophobicContact CG2-CE2 3.73Å; T37-F157 WeakPolarHBondContact OG1-CE2 3.4Å; I38-F157 HydrophobicContact CD1-CB 4.36Å; L153-F157 WeakPolarHBondContact O-CB 3.33Å; L153-F157 PolarHBondContact O-N 3.4Å; G154-F157 PolarHBondContact O-N 2.88Å; V155-F157 VanDerWaalsContact C-N 3.32Å; V155-F157 PolarHBondContact O-N 3.34Å; F157-T159 VanDerWaalsContact C-N 3.26Å; F157-T159 PolarHBondContact O-N 2.84Å; F157-V160 PolarHBondContact O-N 3.18Å; F157-E161 HydrophobicContact CD1-CB 4.39Å; F157-E161 HydrophobicContact CE1-CB 3.98Å; F157-E161 HydrophobicContact CE1-CG 4.14Å; F157-E161 HydrophobicContact CE2-CB 4.39Å; F157-E161 HydrophobicContact CZ-CB 3.99Å; F157-E161 HydrophobicContact CZ-CG 3.92Å; F157-E161 WeakPolarHBondContact O-CB 3.37Å; F157-E161 PolarHBondContact O-N 3.33Å; F157-Y162 HydrophobicContact CE1-CD2 4.46Å; F157-Y162 AromaticContact CE1-CE2 3.88Å; F157-Y162 HydrophobicContact CE1-CE2 3.88Å; F157-L195 HydrophobicContact CD1-CD1 4Å; F157-L195 HydrophobicContact CE1-CD1 3.47Å; F157-L195 VanDerWaalsContact CE1-CD1 3.47Å; F157-L195 HydrophobicContact CZ-CD1 4.44Å
158L97.5Very high96.3Very high1 Ų155.3 Ų55.31%0.00530%0.303CS..Hα-helixtrans-63.2-33.1178.4-73.2-172.7000112.6G154 V155 Y162 S163 I164 F166 L175 L195 V196 L199G154-L158 WeakPolarHBondContact O-CG 3.25Å; G154-L158 PolarHBondContact O-N 3.15Å; V155-L158 PolarHBondContact O-N 2.91Å; L158-Y162 HydrophobicContact CD2-CD2 3.46Å; L158-Y162 VanDerWaalsContact CD2-CD2 3.46Å; L158-Y162 HydrophobicContact CD2-CE2 3.85Å; L158-Y162 CarbonylContact O-C 3.43Å; L158-Y162 WeakPolarHBondContact O-CA 3.29Å; L158-Y162 WeakPolarHBondContact O-CB 3.48Å; L158-Y162 PolarHBondContact O-N 3.33Å; L158-Y162 VanDerWaalsContact O-N 3.11Å; L158-S163 PolarHBondContact O-N 2.93Å; L158-I164 HydrophobicContact CB-CB 4.49Å; L158-I164 HydrophobicContact CB-CD1 4.34Å; L158-I164 HydrophobicContact CD1-CD1 4.41Å; L158-I164 PolarHBondContact O-N 3.15Å; L158-F166 HydrophobicContact CB-CE2 4.09Å; L158-F166 HydrophobicContact CB-CZ 4.44Å; L158-F166 HydrophobicContact CD1-CZ 4.09Å; L158-L175 HydrophobicContact CD1-CD2 4.3Å; L158-L195 HydrophobicContact CD2-CB 4.09Å; L158-L195 HydrophobicContact CD2-CD1 4.28Å; L158-V196 HydrophobicContact CD1-CG2 4.12Å; L158-L199 HydrophobicContact CD1-CD1 3.31Å; L158-L199 HydrophobicContact CD1-CG 4.43Å; L158-L199 HydrophobicContact CG-CD1 4.36Å
159T96.3Very high95.9Very high60 Ų6055.1 Ų55.137%0.36831%0.31SS..Hα-helixtrans-68.5-44.4174.3-61.80000111.9V155 A156 F157 S163 I164V155-T159 PolarHBondContact O-N 3.44Å; V155-T159 PolarHBondContact O-OG1 3.22Å; A156-T159 PolarHBondContact O-N 3.48Å; F157-T159 VanDerWaalsContact C-N 3.26Å; F157-T159 PolarHBondContact O-N 2.84Å; T159-S163 VanDerWaalsContact O-CA 3.26Å; T159-S163 WeakPolarHBondContact O-CA 3.19Å; T159-S163 PolarHBondContact O-N 3.02Å; T159-I164 VanDerWaalsContact CA-O 3.31Å; T159-I164 WeakPolarHBondContact CA-O 3.41Å; T159-I164 WeakPolarHBondContact CB-O 3.27Å; T159-I164 PolarHBondContact OG1-O 2.93Å
160V95.3Very high95.7Very high89 Ų8957.9 Ų57.954%0.53933%0.327SS..Hα-helixtrans-72.7-48.8-178.6173.20000111.9T37 A156 F157T37-V160 HydrophobicContact CG2-CG1 4.09Å; A156-V160 WeakPolarHBondContact O-CG2 3.35Å; A156-V160 PolarHBondContact O-N 3.39Å; F157-V160 PolarHBondContact O-N 3.18Å
161E96.1Very high95.4Very high103 Ų10359.6 Ų59.648%0.48134%0.337SS..Hα-helixtrans-83-38.9-171.2-173.563-160.100112.7T37 F157T37-E161 HydrophobicContact CG2-CB 4.42Å; F157-E161 HydrophobicContact CD1-CB 4.39Å; F157-E161 HydrophobicContact CE1-CB 3.98Å; F157-E161 HydrophobicContact CE1-CG 4.14Å; F157-E161 HydrophobicContact CE2-CB 4.39Å; F157-E161 HydrophobicContact CZ-CB 3.99Å; F157-E161 HydrophobicContact CZ-CG 3.92Å; F157-E161 WeakPolarHBondContact O-CB 3.37Å; F157-E161 PolarHBondContact O-N 3.33Å
162Y95.8Very high95.2Very high58 Ų5860.9 Ų60.923%0.22734%0.342CS..Hα-helixtrans-113.26.7-173.6-61.3-72.6000113.7F157 L158 I164 Q192 L195F157-Y162 HydrophobicContact CE1-CD2 4.46Å; F157-Y162 AromaticContact CE1-CE2 3.88Å; F157-Y162 HydrophobicContact CE1-CE2 3.88Å; L158-Y162 HydrophobicContact CD2-CD2 3.46Å; L158-Y162 VanDerWaalsContact CD2-CD2 3.46Å; L158-Y162 HydrophobicContact CD2-CE2 3.85Å; L158-Y162 CarbonylContact O-C 3.43Å; L158-Y162 WeakPolarHBondContact O-CA 3.29Å; L158-Y162 WeakPolarHBondContact O-CB 3.48Å; L158-Y162 PolarHBondContact O-N 3.33Å; L158-Y162 VanDerWaalsContact O-N 3.11Å; Y162-I164 PolarHBondContact O-N 3.5Å; Y162-I164 VanDerWaalsContact O-N 3.15Å; Y162-Q192 HydrophobicContact CD1-CG 4.1Å; Y162-Q192 HydrophobicContact CD2-CG 4.26Å; Y162-Q192 HydrophobicContact CE1-CB 4.01Å; Y162-Q192 HydrophobicContact CE1-CG 4.02Å; Y162-Q192 HydrophobicContact CE2-CB 4.32Å; Y162-Q192 HydrophobicContact CE2-CG 4.13Å; Y162-Q192 HydrophobicContact CG-CG 4.23Å; Y162-L195 HydrophobicContact CE2-CD1 3.8Å
163S95.4Very high94.9Very high109 Ų10962.7 Ų62.776%0.76235%0.348SS*.  trans5529.5-178.9-54.40000114.1L158 T159 S165L158-S163 PolarHBondContact O-N 2.93Å; T159-S163 VanDerWaalsContact O-CA 3.26Å; T159-S163 WeakPolarHBondContact O-CA 3.19Å; T159-S163 PolarHBondContact O-N 3.02Å; S163-S165 PolarHBondContact O-N 3.39Å
164I95.3Very high94.8Very high26 Ų2664.7 Ų64.713%0.13336%0.361CS..  trans-82.7116.6179-58.8177.5000109.4L158 T159 Y162 F166 T171 L175L158-I164 HydrophobicContact CB-CB 4.49Å; L158-I164 HydrophobicContact CB-CD1 4.34Å; L158-I164 HydrophobicContact CD1-CD1 4.41Å; L158-I164 PolarHBondContact O-N 3.15Å; T159-I164 VanDerWaalsContact CA-O 3.31Å; T159-I164 WeakPolarHBondContact CA-O 3.41Å; T159-I164 WeakPolarHBondContact CB-O 3.27Å; T159-I164 PolarHBondContact OG1-O 2.93Å; Y162-I164 PolarHBondContact O-N 3.5Å; Y162-I164 VanDerWaalsContact O-N 3.15Å; I164-F166 HydrophobicContact CB-CE2 4.09Å; I164-F166 HydrophobicContact CG2-CD2 4.2Å; I164-F166 HydrophobicContact CG2-CE2 3.61Å; I164-F166 HydrophobicContact CG2-CZ 3.8Å; I164-F166 WeakPolarHBondContact O-CD2 3.44Å; I164-T171 HydrophobicContact CG2-CG2 4.16Å; I164-L175 HydrophobicContact CD1-CD1 4.09Å; I164-L175 HydrophobicContact CG2-CD1 4.33Å
165S94.3Very high94.8Very high58 Ų5865.2 Ų65.241%0.40636%0.363SS..  trans-88.9125.5176.8177.90000112.3S163 E167 T171S163-S165 PolarHBondContact O-N 3.39Å; S165-E167 PolarHBondContact OG-N 3.43Å; S165-T171 VanDerWaalsContact O-CG2 3.32Å; S165-T171 WeakPolarHBondContact O-CG2 3.36Å; S165-T171 PolarHBondContact O-OG1 3.22Å; S165-T171 VanDerWaalsContact O-OG1 3.14Å
166F94.1Very high94.8Very high42 Ų4265.9 Ų65.918%0.18437%0.365CS..  trans-102.414.7176.3-67.2-92.1000113.3V155 L158 I164 N168 T171 F172 L175V155-F166 HydrophobicContact CB-CE2 4.49Å; V155-F166 HydrophobicContact CG1-CB 4.28Å; V155-F166 HydrophobicContact CG1-CD2 3.62Å; V155-F166 HydrophobicContact CG1-CE2 4.01Å; V155-F166 HydrophobicContact CG1-CG 3.91Å; V155-F166 HydrophobicContact CG2-CE1 4.38Å; V155-F166 HydrophobicContact CG2-CE2 4.5Å; V155-F166 HydrophobicContact CG2-CZ 4.35Å; L158-F166 HydrophobicContact CB-CE2 4.09Å; L158-F166 HydrophobicContact CB-CZ 4.44Å; L158-F166 HydrophobicContact CD1-CZ 4.09Å; I164-F166 HydrophobicContact CB-CE2 4.09Å; I164-F166 HydrophobicContact CG2-CD2 4.2Å; I164-F166 HydrophobicContact CG2-CE2 3.61Å; I164-F166 HydrophobicContact CG2-CZ 3.8Å; I164-F166 WeakPolarHBondContact O-CD2 3.44Å; F166-N168 VanDerWaalsContact C-N 3.26Å; F166-N168 PolarHBondContact O-N 2.81Å; F166-T171 HydrophobicContact CD1-CG2 4.38Å; F166-F172 HydrophobicContact CD1-CD2 4.24Å; F166-F172 HydrophobicContact CE1-CD2 4.08Å; F166-L175 HydrophobicContact CE1-CD2 3.73Å; F166-L175 HydrophobicContact CZ-CD2 3.72Å
167E91.6Very high94.8Very high180 Ų18068.2 Ų68.284%0.84138%0.377SS*.SBendtrans-60.5-37.4176.6-69.4-179.5170.200112.2S165 P169S165-E167 PolarHBondContact OG-N 3.43Å; E167-P169 WeakPolarHBondContact O-CD 3.3Å
168N92.5Very high94.8Very high94 Ų9471.8 Ų71.850%0.50340%0.396SS..SBendtrans-88.8119.6173.1-171.1-23.3000110F166 L170 T171F166-N168 VanDerWaalsContact C-N 3.26Å; F166-N168 PolarHBondContact O-N 2.81Å; N168-L170 PolarHBondContact O-N 3.37Å; N168-L170 VanDerWaalsContact O-N 3.07Å; N168-L170 WeakPolarHBondContact OD1-CB 3.4Å; N168-L170 PolarHBondContact OD1-N 3.29Å; N168-T171 VanDerWaalsContact O-CB 3.31Å; N168-T171 WeakPolarHBondContact O-CB 3.5Å; N168-T171 PolarHBondContact O-N 2.84Å; N168-T171 PolarHBondContact O-OG1 3.48Å
169P90.2Very high94.8Very high101 Ų10172 Ų7266%0.65640%0.398SS*.Hα-helixtrans-56.2-27176.5-25.434.2000113.8E167 T171 F172E167-P169 WeakPolarHBondContact O-CD 3.3Å; P169-T171 PolarHBondContact O-N 3.49Å; P169-F172 PolarHBondContact O-N 3.33Å; P169-F172 VanDerWaalsContact O-N 3.14Å
170L93.3Very high94.9Very high98 Ų9871.4 Ų71.451%0.51339%0.394SS..Hα-helixtrans-62.2-29.9176.6-169.862.8000112.1N168 F172 L173 T174N168-L170 PolarHBondContact O-N 3.37Å; N168-L170 VanDerWaalsContact O-N 3.07Å; N168-L170 WeakPolarHBondContact OD1-CB 3.4Å; N168-L170 PolarHBondContact OD1-N 3.29Å; L170-F172 VanDerWaalsContact C-N 3.26Å; L170-F172 PolarHBondContact O-N 3.49Å; L170-L173 HydrophobicContact CD1-CB 4.4Å; L170-L173 HydrophobicContact CD1-CD1 4.28Å; L170-L173 PolarHBondContact O-N 3.24Å; L170-T174 HydrophobicContact CD1-CG2 4.18Å; L170-T174 HydrophobicContact CG-CG2 4.12Å; L170-T174 PolarHBondContact O-N 2.97Å; L170-T174 PolarHBondContact O-OG1 2.91Å; L170-T174 VanDerWaalsContact O-OG1 3.1Å
171T93.4Very high95Very high36 Ų3669.4 Ų69.422%0.22139%0.387CS..Hα-helixtrans-55.9-45.4174.3-56.70000110.3I164 S165 F166 N168 P169 L173 T174 L175I164-T171 HydrophobicContact CG2-CG2 4.16Å; S165-T171 VanDerWaalsContact O-CG2 3.32Å; S165-T171 WeakPolarHBondContact O-CG2 3.36Å; S165-T171 PolarHBondContact O-OG1 3.22Å; S165-T171 VanDerWaalsContact O-OG1 3.14Å; F166-T171 HydrophobicContact CD1-CG2 4.38Å; N168-T171 VanDerWaalsContact O-CB 3.31Å; N168-T171 WeakPolarHBondContact O-CB 3.5Å; N168-T171 PolarHBondContact O-N 2.84Å; N168-T171 PolarHBondContact O-OG1 3.48Å; P169-T171 PolarHBondContact O-N 3.49Å; T171-L173 PolarHBondContact O-N 3.43Å; T171-T174 PolarHBondContact O-N 3.27Å; T171-T174 PolarHBondContact O-OG1 2.89Å; T171-L175 WeakPolarHBondContact O-CA 3.42Å; T171-L175 WeakPolarHBondContact O-CB 3.27Å; T171-L175 PolarHBondContact O-N 2.92Å
172F92.6Very high95.1Very high48 Ų4869.7 Ų69.721%0.21138%0.384CS..Hα-helixtrans-65-29.2179.9-166.6-88.3000112.5L151 F166 P169 L170 Y200 L203L151-F172 HydrophobicContact CD1-CE2 4.3Å; L151-F172 HydrophobicContact CD1-CZ 4.4Å; F166-F172 HydrophobicContact CD1-CD2 4.24Å; F166-F172 HydrophobicContact CE1-CD2 4.08Å; P169-F172 PolarHBondContact O-N 3.33Å; P169-F172 VanDerWaalsContact O-N 3.14Å; L170-F172 VanDerWaalsContact C-N 3.26Å; L170-F172 PolarHBondContact O-N 3.49Å; F172-Y200 HydrophobicContact CD1-CE1 4.24Å; F172-Y200 HydrophobicContact CE1-CD1 4.17Å; F172-Y200 AromaticContact CE1-CE1 3.69Å; F172-Y200 HydrophobicContact CE1-CE1 3.69Å; F172-Y200 HydrophobicContact CZ-CD1 4.26Å; F172-Y200 AromaticContact CZ-CE1 3.99Å; F172-Y200 HydrophobicContact CZ-CE1 3.99Å; F172-Y200 PolarHBondContact O-OH 2.9Å; F172-L203 HydrophobicContact CE1-CD2 3.46Å; F172-L203 VanDerWaalsContact CE1-CD2 3.46Å; F172-L203 HydrophobicContact CZ-CD2 3.63Å
173L92.6Very high95.2Very high127 Ų12770.5 Ų70.567%0.66539%0.389SS*.Hα-helixtrans-78.8-32.9178.1-64.2175000112.7L170 T171L170-L173 HydrophobicContact CD1-CB 4.4Å; L170-L173 HydrophobicContact CD1-CD1 4.28Å; L170-L173 PolarHBondContact O-N 3.24Å; T171-L173 PolarHBondContact O-N 3.43Å
174T95.9Very high95.3Very high52 Ų5273.1 Ų73.132%0.31939%0.387SS..Hα-helixtrans-95.9-14.9-176.860.20000113.7L170 T171 L176 P177 L178L170-T174 HydrophobicContact CD1-CG2 4.18Å; L170-T174 HydrophobicContact CG-CG2 4.12Å; L170-T174 PolarHBondContact O-N 2.97Å; L170-T174 PolarHBondContact O-OG1 2.91Å; L170-T174 VanDerWaalsContact O-OG1 3.1Å; T171-T174 PolarHBondContact O-N 3.27Å; T171-T174 PolarHBondContact O-OG1 2.89Å; T174-L176 PolarHBondContact O-N 3.48Å; T174-P177 VanDerWaalsContact O-CD 3.23Å; T174-P177 WeakPolarHBondContact O-CD 3.42Å; T174-P177 VanDerWaalsContact O-CG 3.31Å; T174-P177 WeakPolarHBondContact O-CG 3.41Å; T174-L178 VanDerWaalsContact O-CB 3.29Å; T174-L178 WeakPolarHBondContact O-CB 3.42Å; T174-L178 VanDerWaalsContact O-CG 3.24Å; T174-L178 WeakPolarHBondContact O-CG 3.44Å; T174-L178 PolarHBondContact O-N 3.38Å
175L96.8Very high95.4Very high13 Ų1378.4 Ų78.47%0.06841%0.413CS..Hα-helixtrans-58.3-48.3-173.9176.169000113L158 I164 F166 T171 S179 V196 L199 Y200L158-L175 HydrophobicContact CD1-CD2 4.3Å; I164-L175 HydrophobicContact CD1-CD1 4.09Å; I164-L175 HydrophobicContact CG2-CD1 4.33Å; F166-L175 HydrophobicContact CE1-CD2 3.73Å; F166-L175 HydrophobicContact CZ-CD2 3.72Å; T171-L175 WeakPolarHBondContact O-CA 3.42Å; T171-L175 WeakPolarHBondContact O-CB 3.27Å; T171-L175 PolarHBondContact O-N 2.92Å; L175-S179 WeakPolarHBondContact CD1-OG 3.14Å; L175-S179 WeakPolarHBondContact O-CB 3.31Å; L175-S179 PolarHBondContact O-N 3.41Å; L175-S179 PolarHBondContact O-OG 2.98Å; L175-V196 HydrophobicContact CD1-CG2 4.19Å; L175-V196 HydrophobicContact CD2-CG1 4.17Å; L175-V196 HydrophobicContact CD2-CG2 4.21Å; L175-V196 HydrophobicContact CG-CG1 3.85Å; L175-V196 HydrophobicContact CG-CG2 4.13Å; L175-L199 HydrophobicContact CD2-CD1 4.32Å; L175-Y200 WeakPolarHBondContact CB-OH 3.42Å
176L97.1Very high95.6Very high50 Ų5078.8 Ų78.826%0.26243%0.426SS..Hα-helixtrans-61-56.1179.2-177.158.5000113.7T174 L178 S179 T180 V196 L197 Y200T174-L176 PolarHBondContact O-N 3.48Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-L178 PolarHBondContact O-N 3.35Å; L176-S179 PolarHBondContact O-N 2.91Å; L176-T180 WeakPolarHBondContact O-CB 3.46Å; L176-T180 PolarHBondContact O-N 3.02Å; L176-T180 PolarHBondContact O-OG1 2.86Å; L176-V196 HydrophobicContact CD1-CG1 4.16Å; L176-L197 HydrophobicContact CD1-CD2 3.63Å; L176-L197 HydrophobicContact CD1-CG 4.38Å; L176-Y200 HydrophobicContact CB-CD2 3.98Å; L176-Y200 HydrophobicContact CB-CE1 4.35Å; L176-Y200 HydrophobicContact CB-CE2 3.46Å; L176-Y200 VanDerWaalsContact CB-CE2 3.46Å; L176-Y200 HydrophobicContact CD1-CD2 4.27Å; L176-Y200 HydrophobicContact CD1-CE2 4.41Å; L176-Y200 HydrophobicContact CD2-CD2 4.15Å; L176-Y200 HydrophobicContact CD2-CE2 4.45Å; L176-Y200 HydrophobicContact CD2-CG 4.28Å; L176-Y200 HydrophobicContact CG-CD2 4.37Å; L176-Y200 HydrophobicContact CG-CE2 4.31Å; L176-Y200 PolarHBondContact N-OH 3.4Å; L176-Y200 VanDerWaalsContact N-OH 3.09Å
177P97.4Very high95.7Very high82 Ų8281 Ų8153%0.53244%0.443SS..Hα-helixtrans-63.7-39.2-178.522.8-32.7000112.3T174 T180 A181T174-P177 VanDerWaalsContact O-CD 3.23Å; T174-P177 WeakPolarHBondContact O-CD 3.42Å; T174-P177 VanDerWaalsContact O-CG 3.31Å; T174-P177 WeakPolarHBondContact O-CG 3.41Å; P177-T180 PolarHBondContact O-N 2.96Å; P177-A181 PolarHBondContact O-N 3.29Å
178L96.9Very high96Very high80 Ų8073.7 Ų73.742%0.41941%0.409SS..Hα-helixtrans-67-46.8177.7-68.5176.6000111.9T174 L176 T180 A181 Y182T174-L178 VanDerWaalsContact O-CB 3.29Å; T174-L178 WeakPolarHBondContact O-CB 3.42Å; T174-L178 VanDerWaalsContact O-CG 3.24Å; T174-L178 WeakPolarHBondContact O-CG 3.44Å; T174-L178 PolarHBondContact O-N 3.38Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-L178 PolarHBondContact O-N 3.35Å; L178-T180 VanDerWaalsContact C-N 3.26Å; L178-T180 PolarHBondContact O-N 3.39Å; L178-A181 PolarHBondContact O-N 2.99Å; L178-Y182 HydrophobicContact CB-CE2 4.26Å; L178-Y182 WeakPolarHBondContact O-CB 3.43Å; L178-Y182 WeakPolarHBondContact O-CD2 3.49Å; L178-Y182 VanDerWaalsContact O-CG 3.3Å; L178-Y182 PolarHBondContact O-N 3.38Å
179S97.4Very high96.2Very high7 Ų772 Ų725%0.04941%0.405CS..Hα-helixtrans-61.2-38.2177.3-580000111.4L175 L176 Y182 F183 I188L175-S179 WeakPolarHBondContact CD1-OG 3.14Å; L175-S179 WeakPolarHBondContact O-CB 3.31Å; L175-S179 PolarHBondContact O-N 3.41Å; L175-S179 PolarHBondContact O-OG 2.98Å; L176-S179 PolarHBondContact O-N 2.91Å; S179-Y182 PolarHBondContact O-N 2.65Å; S179-F183 WeakPolarHBondContact O-CB 3.39Å; S179-F183 PolarHBondContact O-N 2.89Å; S179-I188 WeakPolarHBondContact O-CD1 3.49Å
180T97.9Very high96.6Very high47 Ų4769 Ų6929%0.28839%0.393SS..Hα-helixtrans-63.1-47.1175.9-55.90000111.1L176 P177 L178 F183 F184L176-T180 WeakPolarHBondContact O-CB 3.46Å; L176-T180 PolarHBondContact O-N 3.02Å; L176-T180 PolarHBondContact O-OG1 2.86Å; P177-T180 PolarHBondContact O-N 2.96Å; L178-T180 VanDerWaalsContact C-N 3.26Å; L178-T180 PolarHBondContact O-N 3.39Å; T180-F183 PolarHBondContact O-N 2.93Å; T180-F184 HydrophobicContact CG2-CD2 4.09Å; T180-F184 HydrophobicContact CG2-CE2 3.79Å; T180-F184 WeakPolarHBondContact O-CD2 3.34Å; T180-F184 PolarHBondContact O-N 3.39Å
181A98.2Very high96.8Very high47 Ų4768.2 Ų68.239%0.38839%0.389SS..Hα-helixtrans-61.2-47.317700000111.8P177 L178 F183 F184 M185P177-A181 PolarHBondContact O-N 3.29Å; L178-A181 PolarHBondContact O-N 2.99Å; A181-F183 VanDerWaalsContact C-N 3.3Å; A181-F183 PolarHBondContact O-N 3.5Å; A181-F184 PolarHBondContact O-N 3.18Å; A181-F184 VanDerWaalsContact O-N 3.16Å; A181-M185 WeakPolarHBondContact O-CG 3.19Å; A181-M185 PolarHBondContact O-N 2.94Å
182Y97.9Very high97Very high108 Ų10867.9 Ų67.942%0.42439%0.385SS..Hα-helixtrans-61.1-35.2177.6-72.3-24.7000113.4L178 S179 M185 G186 T187L178-Y182 HydrophobicContact CB-CE2 4.26Å; L178-Y182 WeakPolarHBondContact O-CB 3.43Å; L178-Y182 WeakPolarHBondContact O-CD2 3.49Å; L178-Y182 VanDerWaalsContact O-CG 3.3Å; L178-Y182 PolarHBondContact O-N 3.38Å; S179-Y182 PolarHBondContact O-N 2.65Å; Y182-M185 HydrophobicContact CD1-SD 4.23Å; Y182-M185 PolarHBondContact O-N 2.84Å; Y182-G186 PolarHBondContact O-N 3.22Å; Y182-G186 VanDerWaalsContact O-N 3.15Å; Y182-T187 WeakPolarHBondContact CA-OG1 3.23Å; Y182-T187 WeakPolarHBondContact CB-OG1 3.25Å; Y182-T187 PolarHBondContact O-N 3.1Å; Y182-T187 PolarHBondContact O-OG1 3.33Å
183F98.1Very high97.2Very high76 Ų7666.6 Ų66.633%0.33338%0.38SS..Hα-helixtrans-63.1-45.8173.6175-103.4000111.8S179 T180 A181 M185 G186 I188 L193S179-F183 WeakPolarHBondContact O-CB 3.39Å; S179-F183 PolarHBondContact O-N 2.89Å; T180-F183 PolarHBondContact O-N 2.93Å; A181-F183 VanDerWaalsContact C-N 3.3Å; A181-F183 PolarHBondContact O-N 3.5Å; F183-M185 VanDerWaalsContact C-N 3.27Å; F183-M185 PolarHBondContact O-N 3.46Å; F183-G186 PolarHBondContact O-N 2.91Å; F183-I188 HydrophobicContact CB-CD1 4.21Å; F183-I188 HydrophobicContact CB-CG1 3.88Å; F183-L193 HydrophobicContact CB-CB 4.4Å; F183-L193 HydrophobicContact CB-CD2 3.75Å; F183-L193 HydrophobicContact CB-CG 4.5Å; F183-L193 HydrophobicContact CD1-CD2 3.53Å; F183-L193 HydrophobicContact CD2-CB 4.28Å; F183-L193 HydrophobicContact CD2-CD2 4.03Å; F183-L193 HydrophobicContact CE1-CD2 4.11Å; F183-L193 HydrophobicContact CG-CB 4.37Å; F183-L193 HydrophobicContact CG-CD2 3.48Å; F183-L193 VanDerWaalsContact CG-CD2 3.48Å; F183-L193 HydrophobicContact CG-CG 4.5Å
184F97.9Very high97.5Very high164 Ų16464.7 Ų64.772%0.71937%0.366SS*.Hα-helixtrans-69.4-24.3177.3-74.5-67.7000113.6T180 A181T180-F184 HydrophobicContact CG2-CD2 4.09Å; T180-F184 HydrophobicContact CG2-CE2 3.79Å; T180-F184 WeakPolarHBondContact O-CD2 3.34Å; T180-F184 PolarHBondContact O-N 3.39Å; A181-F184 PolarHBondContact O-N 3.18Å; A181-F184 VanDerWaalsContact O-N 3.16Å
185M97.9Very high97.6Very high137 Ų13762.4 Ų62.468%0.67535%0.352SS*.THydrogen-bonded Turntrans-78.6-6.2170-66175.369.100113.1A181 Y182 F183 T187A181-M185 WeakPolarHBondContact O-CG 3.19Å; A181-M185 PolarHBondContact O-N 2.94Å; Y182-M185 HydrophobicContact CD1-SD 4.23Å; Y182-M185 PolarHBondContact O-N 2.84Å; F183-M185 VanDerWaalsContact C-N 3.27Å; F183-M185 PolarHBondContact O-N 3.46Å; M185-T187 VanDerWaalsContact C-N 3.32Å; M185-T187 HydrophobicContact CB-CG2 4.17Å
186G96.8Very high97.7Very high65 Ų6561.8 Ų61.867%0.6735%0.349SS*.THydrogen-bonded Turntrans75.115.9-178.800000114.6Y182 F183Y182-G186 PolarHBondContact O-N 3.22Å; Y182-G186 VanDerWaalsContact O-N 3.15Å; F183-G186 PolarHBondContact O-N 2.91Å
187T96.9Very high97.8Very high90 Ų9062.7 Ų62.755%0.55235%0.354SS*.  trans-89.7-22.1-176.460.80000113.6Y182 M185Y182-T187 WeakPolarHBondContact CA-OG1 3.23Å; Y182-T187 WeakPolarHBondContact CB-OG1 3.25Å; Y182-T187 PolarHBondContact O-N 3.1Å; Y182-T187 PolarHBondContact O-OG1 3.33Å; M185-T187 VanDerWaalsContact C-N 3.32Å; M185-T187 HydrophobicContact CB-CG2 4.17Å
188I97.2Very high97.8Very high25 Ų2559 Ų5913%0.12833%0.33CS..SBendtrans-121.415317467.6163000112S179 F183 Q192 L193S179-I188 WeakPolarHBondContact O-CD1 3.49Å; F183-I188 HydrophobicContact CB-CD1 4.21Å; F183-I188 HydrophobicContact CB-CG1 3.88Å; I188-Q192 HydrophobicContact CD1-CB 4.49Å; I188-Q192 HydrophobicContact CD1-CG 4.33Å; I188-L193 HydrophobicContact CD1-CB 4.26Å
189S97.8Very high97.8Very high58 Ų5855.3 Ų55.341%0.40631%0.31SS..  trans-73157177.873.10000112.5L191 Q192 L193S189-L191 PolarHBondContact O-N 2.83Å; S189-Q192 PolarHBondContact O-N 3.07Å; S189-Q192 PolarHBondContact OG-N 3.02Å; S189-L193 PolarHBondContact O-N 3.09Å
190G97.9Very high97.9Very high40 Ų4057.3 Ų57.341%0.41232%0.317SS..Hα-helixtrans-61.5-30.8172.800000113.4L193 F194G190-L193 PolarHBondContact O-N 3.25Å; G190-F194 VanDerWaalsContact O-CB 3.3Å; G190-F194 WeakPolarHBondContact O-CB 3.25Å; G190-F194 PolarHBondContact O-N 2.85Å
191L97.3Very high97.9Very high80 Ų8057.4 Ų57.442%0.41932%0.315SS..Hα-helixtrans-64.8-43.9175178.261.4000111.4L33 S189 F194 L195L33-L191 HydrophobicContact CD1-CD1 4.18Å; S189-L191 PolarHBondContact O-N 2.83Å; L191-F194 WeakPolarHBondContact O-CB 3.4Å; L191-F194 PolarHBondContact O-N 3.05Å; L191-L195 HydrophobicContact CD1-CD1 4.46Å; L191-L195 HydrophobicContact CD1-CG 4.44Å; L191-L195 HydrophobicContact CG-CD1 4.22Å; L191-L195 WeakPolarHBondContact O-CG 3.49Å; L191-L195 PolarHBondContact O-N 3.47Å
192Q97.8Very high97.9Very high30 Ų3055.4 Ų55.414%0.1430%0.298CS..Hα-helixtrans-62.4-45.4177-173.7177.5-8.200111.1Y162 I188 S189 F194 L195 V196Y162-Q192 HydrophobicContact CD1-CG 4.1Å; Y162-Q192 HydrophobicContact CD2-CG 4.26Å; Y162-Q192 HydrophobicContact CE1-CB 4.01Å; Y162-Q192 HydrophobicContact CE1-CG 4.02Å; Y162-Q192 HydrophobicContact CE2-CB 4.32Å; Y162-Q192 HydrophobicContact CE2-CG 4.13Å; Y162-Q192 HydrophobicContact CG-CG 4.23Å; I188-Q192 HydrophobicContact CD1-CB 4.49Å; I188-Q192 HydrophobicContact CD1-CG 4.33Å; S189-Q192 PolarHBondContact O-N 3.07Å; S189-Q192 PolarHBondContact OG-N 3.02Å; Q192-F194 VanDerWaalsContact C-N 3.33Å; Q192-F194 PolarHBondContact O-N 3.38Å; Q192-L195 PolarHBondContact O-N 2.87Å; Q192-V196 WeakPolarHBondContact O-CG2 3.27Å; Q192-V196 PolarHBondContact O-N 2.87Å
193L98.2Very high97.9Very high20 Ų2052.5 Ų52.511%0.10529%0.289CS..Hα-helixtrans-61.5-41.8174.7-18062.8000111.7F183 I188 S189 G190 L195 V196 L197F183-L193 HydrophobicContact CB-CB 4.4Å; F183-L193 HydrophobicContact CB-CD2 3.75Å; F183-L193 HydrophobicContact CB-CG 4.5Å; F183-L193 HydrophobicContact CD1-CD2 3.53Å; F183-L193 HydrophobicContact CD2-CB 4.28Å; F183-L193 HydrophobicContact CD2-CD2 4.03Å; F183-L193 HydrophobicContact CE1-CD2 4.11Å; F183-L193 HydrophobicContact CG-CB 4.37Å; F183-L193 HydrophobicContact CG-CD2 3.48Å; F183-L193 VanDerWaalsContact CG-CD2 3.48Å; F183-L193 HydrophobicContact CG-CG 4.5Å; I188-L193 HydrophobicContact CD1-CB 4.26Å; S189-L193 PolarHBondContact O-N 3.09Å; G190-L193 PolarHBondContact O-N 3.25Å; L193-L195 PolarHBondContact O-N 3.21Å; L193-V196 PolarHBondContact O-N 3.2Å; L193-L197 HydrophobicContact CD1-CG 4.42Å; L193-L197 HydrophobicContact CG-CD1 4.1Å; L193-L197 HydrophobicContact CG-CG 4.44Å; L193-L197 WeakPolarHBondContact O-CG 3.42Å; L193-L197 PolarHBondContact O-N 3.49Å
194F98.4Very high97.9Very high87 Ų8750.5 Ų50.538%0.38229%0.29SS..Hα-helixtrans-60.8-43.6177.5176.3-105000112.3A25 L29 G190 L191 Q192 L197 M198A25-F194 HydrophobicContact CB-CZ 4.03Å; L29-F194 HydrophobicContact CD1-CE1 4.05Å; L29-F194 HydrophobicContact CD2-CE1 4.12Å; L29-F194 HydrophobicContact CG-CE1 4.38Å; G190-F194 VanDerWaalsContact O-CB 3.3Å; G190-F194 WeakPolarHBondContact O-CB 3.25Å; G190-F194 PolarHBondContact O-N 2.85Å; L191-F194 WeakPolarHBondContact O-CB 3.4Å; L191-F194 PolarHBondContact O-N 3.05Å; Q192-F194 VanDerWaalsContact C-N 3.33Å; Q192-F194 PolarHBondContact O-N 3.38Å; F194-L197 PolarHBondContact O-N 3.49Å; F194-M198 HydrophobicContact CD1-CG 4.37Å; F194-M198 HydrophobicContact CD2-CG 4.49Å; F194-M198 HydrophobicContact CE1-CG 3.95Å; F194-M198 HydrophobicContact CE2-CG 4.07Å; F194-M198 HydrophobicContact CE2-SD 4.33Å; F194-M198 HydrophobicContact CZ-CG 3.79Å; F194-M198 HydrophobicContact CZ-SD 4.12Å; F194-M198 WeakPolarHBondContact O-CB 3.29Å; F194-M198 WeakPolarHBondContact O-CG 3.28Å; F194-M198 PolarHBondContact O-N 3.45Å
195L98.3Very high97.9Very high4 Ų444.2 Ų44.22%0.02126%0.264CS..Hα-helixtrans-61.6-44175.2-74.1166.2000112L29 L33 F34 F157 L158 Y162 L191 Q192 L193 M198 L199L29-L195 HydrophobicContact CD1-CD2 4.22Å; L29-L195 HydrophobicContact CD2-CD2 3.6Å; L29-L195 HydrophobicContact CG-CD2 4.48Å; L33-L195 HydrophobicContact CD1-CD2 4.31Å; F34-L195 HydrophobicContact CE1-CD2 3.89Å; F34-L195 HydrophobicContact CZ-CD2 4.26Å; F157-L195 HydrophobicContact CD1-CD1 4Å; F157-L195 HydrophobicContact CE1-CD1 3.47Å; F157-L195 VanDerWaalsContact CE1-CD1 3.47Å; F157-L195 HydrophobicContact CZ-CD1 4.44Å; L158-L195 HydrophobicContact CD2-CB 4.09Å; L158-L195 HydrophobicContact CD2-CD1 4.28Å; Y162-L195 HydrophobicContact CE2-CD1 3.8Å; L191-L195 HydrophobicContact CD1-CD1 4.46Å; L191-L195 HydrophobicContact CD1-CG 4.44Å; L191-L195 HydrophobicContact CG-CD1 4.22Å; L191-L195 WeakPolarHBondContact O-CG 3.49Å; L191-L195 PolarHBondContact O-N 3.47Å; Q192-L195 PolarHBondContact O-N 2.87Å; L193-L195 PolarHBondContact O-N 3.21Å; L195-M198 PolarHBondContact O-N 3.23Å; L195-L199 PolarHBondContact O-N 3.43Å
196V98.3Very high98Very high0 Ų038 Ų380%023%0.234CC..Hα-helixtrans-60.1-48.5175172.20000110.2L158 L175 L176 Q192 L193 M198 L199 Y200L158-V196 HydrophobicContact CD1-CG2 4.12Å; L175-V196 HydrophobicContact CD1-CG2 4.19Å; L175-V196 HydrophobicContact CD2-CG1 4.17Å; L175-V196 HydrophobicContact CD2-CG2 4.21Å; L175-V196 HydrophobicContact CG-CG1 3.85Å; L175-V196 HydrophobicContact CG-CG2 4.13Å; L176-V196 HydrophobicContact CD1-CG1 4.16Å; Q192-V196 WeakPolarHBondContact O-CG2 3.27Å; Q192-V196 PolarHBondContact O-N 2.87Å; L193-V196 PolarHBondContact O-N 3.2Å; V196-M198 VanDerWaalsContact C-N 3.29Å; V196-M198 PolarHBondContact O-N 2.94Å; V196-L199 WeakPolarHBondContact O-CB 3.37Å; V196-L199 PolarHBondContact O-N 3.29Å; V196-L199 VanDerWaalsContact O-N 3.16Å; V196-Y200 HydrophobicContact CG1-CD2 4.29Å; V196-Y200 HydrophobicContact CG1-CE2 3.81Å; V196-Y200 WeakPolarHBondContact O-CD2 3.49Å; V196-Y200 PolarHBondContact O-N 3.02Å
197L98.3Very high98Very high70 Ų7040 Ų4037%0.36623%0.229SC..Hα-helixtrans-57.6-42.2176.1-72.9168.3000112.2L176 L193 F194 L199 Y200 I201L176-L197 HydrophobicContact CD1-CD2 3.63Å; L176-L197 HydrophobicContact CD1-CG 4.38Å; L193-L197 HydrophobicContact CD1-CG 4.42Å; L193-L197 HydrophobicContact CG-CD1 4.1Å; L193-L197 HydrophobicContact CG-CG 4.44Å; L193-L197 WeakPolarHBondContact O-CG 3.42Å; L193-L197 PolarHBondContact O-N 3.49Å; F194-L197 PolarHBondContact O-N 3.49Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.47Å; L197-Y200 PolarHBondContact O-N 2.89Å; L197-I201 WeakPolarHBondContact O-CG1 3.31Å; L197-I201 PolarHBondContact O-N 2.73Å
198M98.3Very high98.1Very high5 Ų539.5 Ų39.53%0.02523%0.226CC..Hα-helixtrans-62.8-36.2178-77-61.2-52.900112.8A25 L29 F194 L195 V196 Y200 I201 W202A25-M198 HydrophobicContact CB-CE 4.28Å; A25-M198 HydrophobicContact CB-SD 4.31Å; L29-M198 HydrophobicContact CD1-CB 4.17Å; L29-M198 HydrophobicContact CD1-CE 4.47Å; L29-M198 HydrophobicContact CD1-CG 3.91Å; F194-M198 HydrophobicContact CD1-CG 4.37Å; F194-M198 HydrophobicContact CD2-CG 4.49Å; F194-M198 HydrophobicContact CE1-CG 3.95Å; F194-M198 HydrophobicContact CE2-CG 4.07Å; F194-M198 HydrophobicContact CE2-SD 4.33Å; F194-M198 HydrophobicContact CZ-CG 3.79Å; F194-M198 HydrophobicContact CZ-SD 4.12Å; F194-M198 WeakPolarHBondContact O-CB 3.29Å; F194-M198 WeakPolarHBondContact O-CG 3.28Å; F194-M198 PolarHBondContact O-N 3.45Å; L195-M198 PolarHBondContact O-N 3.23Å; V196-M198 VanDerWaalsContact C-N 3.29Å; V196-M198 PolarHBondContact O-N 2.94Å; M198-Y200 PolarHBondContact O-N 3.49Å; M198-I201 PolarHBondContact O-N 2.96Å; M198-I201 HydrophobicContact SD-CD1 4.08Å; M198-W202 HydrophobicContact CB-CE3 4.47Å; M198-W202 HydrophobicContact CB-CH2 4Å; M198-W202 HydrophobicContact CB-CZ2 4.16Å; M198-W202 HydrophobicContact CB-CZ3 4.17Å; M198-W202 HydrophobicContact CE-CD2 4.33Å; M198-W202 VanDerWaalsContact CE-CE2 3.47Å; M198-W202 HydrophobicContact CE-CH2 4.46Å; M198-W202 HydrophobicContact CE-CZ2 3.56Å; M198-W202 VanDerWaalsContact O-CD2 3.26Å; M198-W202 PolarHBondContact O-N 3.11Å
199L98.1Very high98.1Very high1 Ų139 Ų391%0.00523%0.225CC..Hα-helixtrans-56.7-48.6173.1-72.1174.7000112L151 V155 L158 L175 L195 V196 L197 W202 L203L151-L199 HydrophobicContact CD1-CB 4.01Å; L151-L199 HydrophobicContact CD1-CD2 3.74Å; L151-L199 HydrophobicContact CD1-CG 4.48Å; L151-L199 VanDerWaalsContact CD1-O 3.28Å; L151-L199 WeakPolarHBondContact CD1-O 3.32Å; V155-L199 HydrophobicContact CG2-CD2 4.14Å; L158-L199 HydrophobicContact CD1-CD1 3.31Å; L158-L199 HydrophobicContact CD1-CG 4.43Å; L158-L199 HydrophobicContact CG-CD1 4.36Å; L175-L199 HydrophobicContact CD2-CD1 4.32Å; L195-L199 PolarHBondContact O-N 3.43Å; V196-L199 WeakPolarHBondContact O-CB 3.37Å; V196-L199 PolarHBondContact O-N 3.29Å; V196-L199 VanDerWaalsContact O-N 3.16Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.47Å; L199-W202 HydrophobicContact CD2-CE3 4.13Å; L199-W202 HydrophobicContact CD2-CZ3 4.12Å; L199-W202 PolarHBondContact O-N 3.11Å; L199-L203 PolarHBondContact O-N 3.17Å
200Y98.3Very high98.1Very high49 Ų4938.3 Ų38.319%0.19222%0.222CC..Hα-helixtrans-71.2-31.9179.4-65.5-85.8000112.4F172 L175 L176 V196 L197 M198 L203 G204F172-Y200 HydrophobicContact CD1-CE1 4.24Å; F172-Y200 HydrophobicContact CE1-CD1 4.17Å; F172-Y200 AromaticContact CE1-CE1 3.69Å; F172-Y200 HydrophobicContact CE1-CE1 3.69Å; F172-Y200 HydrophobicContact CZ-CD1 4.26Å; F172-Y200 AromaticContact CZ-CE1 3.99Å; F172-Y200 HydrophobicContact CZ-CE1 3.99Å; F172-Y200 PolarHBondContact O-OH 2.9Å; L175-Y200 WeakPolarHBondContact CB-OH 3.42Å; L176-Y200 HydrophobicContact CB-CD2 3.98Å; L176-Y200 HydrophobicContact CB-CE1 4.35Å; L176-Y200 HydrophobicContact CB-CE2 3.46Å; L176-Y200 VanDerWaalsContact CB-CE2 3.46Å; L176-Y200 HydrophobicContact CD1-CD2 4.27Å; L176-Y200 HydrophobicContact CD1-CE2 4.41Å; L176-Y200 HydrophobicContact CD2-CD2 4.15Å; L176-Y200 HydrophobicContact CD2-CE2 4.45Å; L176-Y200 HydrophobicContact CD2-CG 4.28Å; L176-Y200 HydrophobicContact CG-CD2 4.37Å; L176-Y200 HydrophobicContact CG-CE2 4.31Å; L176-Y200 PolarHBondContact N-OH 3.4Å; L176-Y200 VanDerWaalsContact N-OH 3.09Å; V196-Y200 HydrophobicContact CG1-CD2 4.29Å; V196-Y200 HydrophobicContact CG1-CE2 3.81Å; V196-Y200 WeakPolarHBondContact O-CD2 3.49Å; V196-Y200 PolarHBondContact O-N 3.02Å; L197-Y200 PolarHBondContact O-N 2.89Å; M198-Y200 PolarHBondContact O-N 3.49Å; Y200-L203 PolarHBondContact O-N 2.67Å; Y200-G204 PolarHBondContact O-N 3.38Å
201I98.3Very high98.1Very high50 Ų5038.4 Ų38.426%0.25622%0.223SC..Hα-helixtrans-62.5-47.8172.2-73.2168.7000110.3Y18 L197 M198 G204 I205Y18-I201 WeakPolarHBondContact OH-CG2 3.45Å; L197-I201 WeakPolarHBondContact O-CG1 3.31Å; L197-I201 PolarHBondContact O-N 2.73Å; M198-I201 PolarHBondContact O-N 2.96Å; M198-I201 HydrophobicContact SD-CD1 4.08Å; I201-G204 PolarHBondContact O-N 3.38Å; I201-I205 HydrophobicContact CG2-CD1 3.63Å; I201-I205 HydrophobicContact CG2-CG1 4.34Å; I201-I205 WeakPolarHBondContact O-CB 3.42Å; I201-I205 VanDerWaalsContact O-CG1 3.31Å; I201-I205 WeakPolarHBondContact O-CG1 3.48Å; I201-I205 PolarHBondContact O-N 3.46Å
202W98.6Very high98Very high5 Ų538.7 Ų38.72%0.01922%0.221CC..Hα-helixtrans-61.9-45.6175.9-67.6-40.9000111.8T26 L29 F34 C147 S150 L151 M198 L199 G204 G206T26-W202 HydrophobicContact CG2-CZ2 3.95Å; T26-W202 PolarHBondContact OG1-NE1 3.13Å; L29-W202 HydrophobicContact CD1-CH2 3.68Å; L29-W202 HydrophobicContact CD1-CZ2 3.82Å; F34-W202 AromaticContact CE2-CH2 3.65Å; F34-W202 HydrophobicContact CE2-CH2 3.65Å; F34-W202 HydrophobicContact CE2-CZ3 4.07Å; F34-W202 AromaticContact CZ-CH2 3.62Å; F34-W202 HydrophobicContact CZ-CH2 3.62Å; F34-W202 AromaticContact CZ-CZ3 3.97Å; F34-W202 HydrophobicContact CZ-CZ3 3.97Å; C147-W202 HydrophobicContact CB-CB 4.16Å; C147-W202 VanDerWaalsContact CB-O 3.28Å; C147-W202 WeakPolarHBondContact CB-O 3.4Å; S150-W202 WeakPolarHBondContact O-CZ3 3.49Å; L151-W202 HydrophobicContact CB-CB 4.46Å; M198-W202 HydrophobicContact CB-CE3 4.47Å; M198-W202 HydrophobicContact CB-CH2 4Å; M198-W202 HydrophobicContact CB-CZ2 4.16Å; M198-W202 HydrophobicContact CB-CZ3 4.17Å; M198-W202 HydrophobicContact CE-CD2 4.33Å; M198-W202 VanDerWaalsContact CE-CE2 3.47Å; M198-W202 HydrophobicContact CE-CH2 4.46Å; M198-W202 HydrophobicContact CE-CZ2 3.56Å; M198-W202 VanDerWaalsContact O-CD2 3.26Å; M198-W202 PolarHBondContact O-N 3.11Å; L199-W202 HydrophobicContact CD2-CE3 4.13Å; L199-W202 HydrophobicContact CD2-CZ3 4.12Å; L199-W202 PolarHBondContact O-N 3.11Å; W202-G204 VanDerWaalsContact C-N 3.34Å; W202-G204 PolarHBondContact O-N 2.87Å; W202-G206 WeakPolarHBondContact O-CA 3.35Å; W202-G206 PolarHBondContact O-N 2.95Å
203L98.1Very high97.9Very high47 Ų4738 Ų3825%0.24622%0.22CC..Hα-helixtrans-58.2-48.2176.1179.664.1000111.3L151 F172 L199 Y200 G206 L207L151-L203 HydrophobicContact CD1-CB 4.33Å; L151-L203 HydrophobicContact CD2-CD1 4.19Å; F172-L203 HydrophobicContact CE1-CD2 3.46Å; F172-L203 VanDerWaalsContact CE1-CD2 3.46Å; F172-L203 HydrophobicContact CZ-CD2 3.63Å; L199-L203 PolarHBondContact O-N 3.17Å; Y200-L203 PolarHBondContact O-N 2.67Å; L203-G206 PolarHBondContact O-N 3.46Å; L203-L207 HydrophobicContact CD1-CD1 3.79Å; L203-L207 HydrophobicContact CD1-CG 3.99Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.44Å; L203-L207 WeakPolarHBondContact O-CB 3.48Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.24Å; L203-L207 PolarHBondContact O-N 3.37Å
204G98.1Very high97.8Very high34 Ų3440.6 Ų40.635%0.35124%0.238SC..Hα-helixtrans-61.4-52.7-179.800000112.7Y200 I201 W202 G206 L207 V208Y200-G204 PolarHBondContact O-N 3.38Å; I201-G204 PolarHBondContact O-N 3.38Å; W202-G204 VanDerWaalsContact C-N 3.34Å; W202-G204 PolarHBondContact O-N 2.87Å; G204-G206 VanDerWaalsContact C-N 3.31Å; G204-G206 PolarHBondContact O-N 3.36Å; G204-L207 PolarHBondContact O-N 2.86Å; G204-V208 WeakPolarHBondContact O-CB 3.42Å; G204-V208 VanDerWaalsContact O-CG2 3.24Å; G204-V208 WeakPolarHBondContact O-CG2 3.36Å; G204-V208 PolarHBondContact O-N 2.89Å
205I98.2Very high97.7Very high32 Ų3239.1 Ų39.116%0.16423%0.233CC..Hα-helixtrans-60.8-44177.7-66.1171.7000110.2Y18 A22 T143 I201 V208 C209Y18-I205 HydrophobicContact CE1-CD1 3.97Å; Y18-I205 HydrophobicContact CE1-CG1 4.4Å; A22-I205 HydrophobicContact CB-CD1 4.39Å; T143-I205 HydrophobicContact CG2-CG2 3.76Å; I201-I205 HydrophobicContact CG2-CD1 3.63Å; I201-I205 HydrophobicContact CG2-CG1 4.34Å; I201-I205 WeakPolarHBondContact O-CB 3.42Å; I201-I205 VanDerWaalsContact O-CG1 3.31Å; I201-I205 WeakPolarHBondContact O-CG1 3.48Å; I201-I205 PolarHBondContact O-N 3.46Å; I205-V208 PolarHBondContact O-N 2.86Å; I205-C209 VanDerWaalsContact O-CB 3.3Å; I205-C209 WeakPolarHBondContact O-CB 3.36Å; I205-C209 PolarHBondContact O-N 3.37Å; I205-C209 PolarHBondContact O-SG 3.41Å
206G98.3Very high97.6Very high6 Ų639 Ų396%0.06223%0.232CC..Hα-helixtrans-61.8-45.5-178.100000112.9S144 W202 L203 G204 A210S144-G206 PolarHBondContact OG-O 2.84Å; W202-G206 WeakPolarHBondContact O-CA 3.35Å; W202-G206 PolarHBondContact O-N 2.95Å; L203-G206 PolarHBondContact O-N 3.46Å; G204-G206 VanDerWaalsContact C-N 3.31Å; G204-G206 PolarHBondContact O-N 3.36Å; G206-A210 WeakPolarHBondContact O-CB 3.46Å; G206-A210 PolarHBondContact O-N 2.87Å
207L98.3Very high97.5Very high106 Ų10641.3 Ų41.356%0.55525%0.246SC*.Hα-helixtrans-68.1-43.6177-71.2176.5000112.3L203 G204 C209 A210 G211L203-L207 HydrophobicContact CD1-CD1 3.79Å; L203-L207 HydrophobicContact CD1-CG 3.99Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.44Å; L203-L207 WeakPolarHBondContact O-CB 3.48Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.24Å; L203-L207 PolarHBondContact O-N 3.37Å; G204-L207 PolarHBondContact O-N 2.86Å; L207-C209 PolarHBondContact O-N 3.44Å; L207-A210 PolarHBondContact O-N 3.43Å; L207-G211 PolarHBondContact O-N 2.86Å
208V97.6Very high97.3Very high81 Ų8142.4 Ų42.449%0.49125%0.252SS..Hα-helixtrans-60-48175.81700000110G204 I205 A210 G211 F212G204-V208 WeakPolarHBondContact O-CB 3.42Å; G204-V208 VanDerWaalsContact O-CG2 3.24Å; G204-V208 WeakPolarHBondContact O-CG2 3.36Å; G204-V208 PolarHBondContact O-N 2.89Å; I205-V208 PolarHBondContact O-N 2.86Å; V208-A210 PolarHBondContact O-N 2.99Å; V208-G211 PolarHBondContact O-N 3.35Å; V208-F212 HydrophobicContact CG1-CD2 3.71Å; V208-F212 HydrophobicContact CG1-CE2 3.89Å; V208-F212 WeakPolarHBondContact O-CB 3.23Å; V208-F212 WeakPolarHBondContact O-CD2 3.43Å; V208-F212 PolarHBondContact O-N 2.89Å
209C98.1Very high97.1Very high15 Ų1542.4 Ų42.410%0.10125%0.252CS..Hα-helixtrans-62.8-41.6178.7-69.90000112.4C140 I205 L207 C213C140-C209 HydrophobicContact CB-CB 4.33Å; C140-C209 WeakPolarHBondContact O-CB 3.27Å; I205-C209 VanDerWaalsContact O-CB 3.3Å; I205-C209 WeakPolarHBondContact O-CB 3.36Å; I205-C209 PolarHBondContact O-N 3.37Å; I205-C209 PolarHBondContact O-SG 3.41Å; L207-C209 PolarHBondContact O-N 3.44Å; C209-C213 VanDerWaalsContact O-CB 3.25Å; C209-C213 WeakPolarHBondContact O-CB 3.21Å; C209-C213 PolarHBondContact O-N 2.83Å
210A98Very high97Very high43 Ų4343 Ų4336%0.35526%0.256SS..Hα-helixtrans-63.1-44.5175.600000112.1G206 L207 V208 C213 C214G206-A210 WeakPolarHBondContact O-CB 3.46Å; G206-A210 PolarHBondContact O-N 2.87Å; L207-A210 PolarHBondContact O-N 3.43Å; V208-A210 PolarHBondContact O-N 2.99Å; A210-C213 PolarHBondContact O-N 3.47Å; A210-C214 WeakPolarHBondContact O-CB 3.4Å; A210-C214 PolarHBondContact O-N 2.88Å
211G97.3Very high96.7Very high42 Ų4241.8 Ų41.843%0.43326%0.255SS..Hα-helixtrans-61.9-48.9177.300000112.4L207 V208 C213 C214 Q215L207-G211 PolarHBondContact O-N 2.86Å; V208-G211 PolarHBondContact O-N 3.35Å; G211-C213 PolarHBondContact O-N 3.43Å; G211-C214 PolarHBondContact O-N 2.94Å; G211-Q215 WeakPolarHBondContact O-CB 3.42Å; G211-Q215 PolarHBondContact O-N 3.05Å
212F94.9Very high96.5Very high86 Ų8647.1 Ų47.138%0.37727%0.272SS..Hα-helixtrans-60.8-44175.2-92.2-87.3000111.8V208 C214 Q215 Q216V208-F212 HydrophobicContact CG1-CD2 3.71Å; V208-F212 HydrophobicContact CG1-CE2 3.89Å; V208-F212 WeakPolarHBondContact O-CB 3.23Å; V208-F212 WeakPolarHBondContact O-CD2 3.43Å; V208-F212 PolarHBondContact O-N 2.89Å; F212-C214 PolarHBondContact O-N 3.02Å; F212-Q215 PolarHBondContact O-N 3.01Å; F212-Q216 WeakPolarHBondContact O-CB 3.37Å; F212-Q216 WeakPolarHBondContact O-CG 3.43Å; F212-Q216 PolarHBondContact O-N 3.03Å
213C96.1Very high96.1Very high16 Ų1648.3 Ų48.311%0.10829%0.286CS..Hα-helixtrans-57.6-50.8175.8176.30000111.5C140 I141 C209 A210 G211 Q215 Q216 V217C140-C213 HydrophobicContact CB-CB 3.98Å; I141-C213 HydrophobicContact CG1-CB 4.41Å; I141-C213 WeakPolarHBondContact CG1-SG 3.35Å; C209-C213 VanDerWaalsContact O-CB 3.25Å; C209-C213 WeakPolarHBondContact O-CB 3.21Å; C209-C213 PolarHBondContact O-N 2.83Å; A210-C213 PolarHBondContact O-N 3.47Å; G211-C213 PolarHBondContact O-N 3.43Å; C213-Q215 VanDerWaalsContact C-N 3.34Å; C213-Q215 PolarHBondContact O-N 3.5Å; C213-Q216 PolarHBondContact O-N 2.9Å; C213-V217 WeakPolarHBondContact O-CG2 3.28Å; C213-V217 PolarHBondContact O-N 3.31Å
214C97.1Very high95.7Very high73 Ų7347.9 Ų47.949%0.49328%0.283SS..Hα-helixtrans-57.7-48.6179.8-176.10000111A210 G211 F212 Q216 V217 L218A210-C214 WeakPolarHBondContact O-CB 3.4Å; A210-C214 PolarHBondContact O-N 2.88Å; G211-C214 PolarHBondContact O-N 2.94Å; F212-C214 PolarHBondContact O-N 3.02Å; C214-Q216 PolarHBondContact O-N 3.31Å; C214-V217 PolarHBondContact O-N 3.05Å; C214-L218 VanDerWaalsContact O-CG 3.27Å; C214-L218 WeakPolarHBondContact O-CG 3.43Å; C214-L218 PolarHBondContact O-N 3.43Å
215Q95.8Very high95.4Very high57 Ų5747 Ų4727%0.26627%0.271SS..Hα-helixtrans-57.2-47.8177.2-172.9-168.7-63.600112G211 F212 C213 L218 L219 W226G211-Q215 WeakPolarHBondContact O-CB 3.42Å; G211-Q215 PolarHBondContact O-N 3.05Å; F212-Q215 PolarHBondContact O-N 3.01Å; C213-Q215 VanDerWaalsContact C-N 3.34Å; C213-Q215 PolarHBondContact O-N 3.5Å; Q215-L218 PolarHBondContact O-N 3.16Å; Q215-L219 HydrophobicContact CG-CD1 4.03Å; Q215-L219 WeakPolarHBondContact O-CB 3.38Å; Q215-L219 VanDerWaalsContact O-CG 3.29Å; Q215-L219 WeakPolarHBondContact O-CG 3.4Å; Q215-L219 PolarHBondContact O-N 3.38Å; Q215-W226 HydrophobicContact CG-CZ3 4.27Å
216Q95.7Very high94.9Very high1 Ų148.9 Ų48.91%0.00528%0.276CS..Hα-helixtrans-67.3-41.5-178.2-68.9-62.5-22.200112.3D118 F136 I137 F212 C213 C214 L218 L219 V220D118-Q216 PolarHBondContact OD1-OE1 3.35Å; D118-Q216 PolarHBondContact OD2-NE2 3.42Å; D118-Q216 PolarHBondContact OD2-OE1 2.82Å; F136-Q216 HydrophobicContact CE1-CG 4.08Å; I137-Q216 HydrophobicContact CD1-CB 4.26Å; I137-Q216 HydrophobicContact CG1-CB 4.06Å; F212-Q216 WeakPolarHBondContact O-CB 3.37Å; F212-Q216 WeakPolarHBondContact O-CG 3.43Å; F212-Q216 PolarHBondContact O-N 3.03Å; C213-Q216 PolarHBondContact O-N 2.9Å; C214-Q216 PolarHBondContact O-N 3.31Å; Q216-L218 VanDerWaalsContact C-N 3.3Å; Q216-L218 PolarHBondContact O-N 2.85Å; Q216-L219 PolarHBondContact O-N 2.9Å; Q216-V220 WeakPolarHBondContact O-CB 3.27Å; Q216-V220 VanDerWaalsContact O-CG2 3.27Å; Q216-V220 WeakPolarHBondContact O-CG2 3.3Å; Q216-V220 PolarHBondContact O-N 2.94Å
217V95.4Very high94.4Very high48 Ų4849.6 Ų49.629%0.29128%0.28SS..Hα-helixtrans-61.4-40.9175.5171.10000111I137 C213 C214 A221 L245I137-V217 HydrophobicContact CD1-CG2 4.43Å; I137-V217 HydrophobicContact CG2-CG2 4Å; C213-V217 WeakPolarHBondContact O-CG2 3.28Å; C213-V217 PolarHBondContact O-N 3.31Å; C214-V217 PolarHBondContact O-N 3.05Å; V217-A221 VanDerWaalsContact O-CB 3.23Å; V217-A221 WeakPolarHBondContact O-CB 3.49Å; V217-A221 PolarHBondContact O-N 3.45Å; V217-L245 HydrophobicContact CG1-CD2 4.38Å
218L95.5Very high93.8Very high93 Ų9346.1 Ų46.149%0.48726%0.261SS..Hα-helixtrans-65.8-40.9176.5-70172.6000112.5C214 Q215 Q216 A221 R222C214-L218 VanDerWaalsContact O-CG 3.27Å; C214-L218 WeakPolarHBondContact O-CG 3.43Å; C214-L218 PolarHBondContact O-N 3.43Å; Q215-L218 PolarHBondContact O-N 3.16Å; Q216-L218 VanDerWaalsContact C-N 3.3Å; Q216-L218 PolarHBondContact O-N 2.85Å; L218-A221 PolarHBondContact O-N 3.26Å; L218-R222 WeakPolarHBondContact O-CG 3.35Å; L218-R222 PolarHBondContact O-N 3.26Å; L218-R222 VanDerWaalsContact O-N 3.13Å
219L94.5Very high93.3Very high6 Ų645.5 Ų45.53%0.03125%0.253CS..Hα-helixtrans-65.8-47176.6-74.8170.5000111.6Q215 Q216 A221 R222 G223 Q224 W226 M229Q215-L219 HydrophobicContact CG-CD1 4.03Å; Q215-L219 WeakPolarHBondContact O-CB 3.38Å; Q215-L219 VanDerWaalsContact O-CG 3.29Å; Q215-L219 WeakPolarHBondContact O-CG 3.4Å; Q215-L219 PolarHBondContact O-N 3.38Å; Q216-L219 PolarHBondContact O-N 2.9Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 3.45Å; L219-R222 CarbonylContact O-C 3.46Å; L219-R222 WeakPolarHBondContact O-CB 3.4Å; L219-R222 PolarHBondContact O-N 2.85Å; L219-R222 VanDerWaalsContact O-N 3.09Å; L219-G223 PolarHBondContact O-N 3.26Å; L219-Q224 CarbonylContact C-O 3.5Å; L219-Q224 VanDerWaalsContact C-O 3.28Å; L219-Q224 WeakPolarHBondContact CB-O 3.16Å; L219-Q224 PolarHBondContact O-N 2.94Å; L219-Q224 VanDerWaalsContact O-O 3.07Å; L219-W226 HydrophobicContact CD1-CB 4.14Å; L219-W226 HydrophobicContact CD1-CE3 3.88Å; L219-M229 HydrophobicContact CD2-CB 4.24Å; L219-M229 HydrophobicContact CD2-CG 4.31Å; L219-M229 HydrophobicContact CD2-SD 3.92Å
220V94.1Very high92.8Very high14 Ų1450.4 Ų50.49%0.08528%0.275CS..Hα-helixtrans-59.4-44.9173.6171.50000110.6M133 I137 Q216 R222 G223 N244 L245 V248M133-V220 HydrophobicContact CG-CG2 4.08Å; I137-V220 HydrophobicContact CD1-CG2 4.29Å; Q216-V220 WeakPolarHBondContact O-CB 3.27Å; Q216-V220 VanDerWaalsContact O-CG2 3.27Å; Q216-V220 WeakPolarHBondContact O-CG2 3.3Å; Q216-V220 PolarHBondContact O-N 2.94Å; V220-R222 PolarHBondContact O-N 3.2Å; V220-G223 WeakPolarHBondContact O-CA 3.4Å; V220-G223 PolarHBondContact O-N 3.48Å; V220-N244 WeakPolarHBondContact O-CB 3.46Å; V220-L245 HydrophobicContact CB-CD2 4.48Å; V220-L245 HydrophobicContact CG1-CD2 3.87Å; V220-V248 HydrophobicContact CG1-CB 3.98Å; V220-V248 HydrophobicContact CG1-CG2 3.52Å; V220-V248 HydrophobicContact CG2-CG2 4.11Å
221A93.8Very high91.9Very high22 Ų2253.6 Ų53.618%0.18228%0.277CS..Hα-helixtrans-58.8-32.5177.600000112.4V217 L218 L219 G223 W241 N244V217-A221 VanDerWaalsContact O-CB 3.23Å; V217-A221 WeakPolarHBondContact O-CB 3.49Å; V217-A221 PolarHBondContact O-N 3.45Å; L218-A221 PolarHBondContact O-N 3.26Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 3.45Å; A221-G223 VanDerWaalsContact C-N 3.34Å; A221-W241 HydrophobicContact CB-CB 4.21Å; A221-W241 VanDerWaalsContact O-CA 3.28Å; A221-W241 WeakPolarHBondContact O-CA 3.31Å; A221-W241 WeakPolarHBondContact O-CB 3.34Å; A221-N244 PolarHBondContact O-ND2 3.44Å
222R92.1Very high91.2Very high162 Ų16254.4 Ų54.461%0.61129%0.286SS*.Hα-helixtrans-80.1-12.2173.1-67.7172.6-177.5-177.90.9113.7L218 L219 V220 Q224 N237L218-R222 WeakPolarHBondContact O-CG 3.35Å; L218-R222 PolarHBondContact O-N 3.26Å; L218-R222 VanDerWaalsContact O-N 3.13Å; L219-R222 CarbonylContact O-C 3.46Å; L219-R222 WeakPolarHBondContact O-CB 3.4Å; L219-R222 PolarHBondContact O-N 2.85Å; L219-R222 VanDerWaalsContact O-N 3.09Å; V220-R222 PolarHBondContact O-N 3.2Å; R222-Q224 VanDerWaalsContact C-N 3.3Å; R222-Q224 HydrophobicContact CB-CB 4.38Å; R222-N237 PolarHBondContact O-ND2 3.34Å
223G90.9Very high90.5Very high30 Ų3052.7 Ų52.731%0.30928%0.279SS..THydrogen-bonded Turntrans67.131.4-172.100000113L219 V220 A221 N237L219-G223 PolarHBondContact O-N 3.26Å; V220-G223 WeakPolarHBondContact O-CA 3.4Å; V220-G223 PolarHBondContact O-N 3.48Å; A221-G223 VanDerWaalsContact C-N 3.34Å; G223-N237 WeakPolarHBondContact CA-ND2 3.43Å
224Q90.6Very high89.5Confident38 Ų3860.3 Ų60.318%0.17832%0.318CS..  trans-119.7141-179.6-172178.726.100109.3L219 R222 Q228 E233 V235L219-Q224 CarbonylContact C-O 3.5Å; L219-Q224 VanDerWaalsContact C-O 3.28Å; L219-Q224 WeakPolarHBondContact CB-O 3.16Å; L219-Q224 PolarHBondContact O-N 2.94Å; L219-Q224 VanDerWaalsContact O-O 3.07Å; R222-Q224 VanDerWaalsContact C-N 3.3Å; R222-Q224 HydrophobicContact CB-CB 4.38Å; Q224-Q228 HydrophobicContact CG-CB 4.1Å; Q224-E233 PolarHBondContact NE2-O 3.22Å; Q224-E233 VanDerWaalsContact NE2-O 3.14Å; Q224-V235 HydrophobicContact CG-CG2 3.96Å
225T90.3Very high88.6Confident17 Ų1759.5 Ų59.510%0.10431%0.311CS..  trans-88.7156.6172.464.30000111.5R116 R117 C227 Q228 M229R116-T225 HydrophobicContact CB-CG2 4.27Å; R117-T225 PolarHBondContact O-OG1 3.46Å; T225-C227 VanDerWaalsContact C-N 3.26Å; T225-C227 PolarHBondContact O-N 3.35Å; T225-Q228 PolarHBondContact O-N 3.45Å; T225-Q228 WeakPolarHBondContact OG1-CB 3.38Å; T225-Q228 VanDerWaalsContact OG1-CD 3.25Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.32Å; T225-Q228 PolarHBondContact OG1-N 2.88Å; T225-Q228 PolarHBondContact OG1-OE1 2.97Å; T225-M229 PolarHBondContact O-N 3.33Å
226W88.9Confident87.7Confident71 Ų7162.6 Ų62.627%0.26933%0.329SS..Hα-helixtrans-56.5-40171.9177.6-108.2000112.4D118 Q215 L219 Q228 M229 Q230D118-W226 VanDerWaalsContact CG-CB 3.5Å; D118-W226 VanDerWaalsContact OD1-CB 3.28Å; D118-W226 WeakPolarHBondContact OD1-CB 3.41Å; D118-W226 PolarHBondContact OD1-N 3.48Å; D118-W226 VanDerWaalsContact OD2-CB 3.28Å; D118-W226 WeakPolarHBondContact OD2-CB 3.46Å; Q215-W226 HydrophobicContact CG-CZ3 4.27Å; L219-W226 HydrophobicContact CD1-CB 4.14Å; L219-W226 HydrophobicContact CD1-CE3 3.88Å; W226-Q228 VanDerWaalsContact C-N 3.33Å; W226-Q228 PolarHBondContact O-N 2.88Å; W226-M229 HydrophobicContact CD2-CE 4.29Å; W226-M229 HydrophobicContact CE3-CE 3.38Å; W226-M229 HydrophobicContact CE3-SD 4.01Å; W226-M229 HydrophobicContact CH2-CE 3.79Å; W226-M229 HydrophobicContact CZ3-CE 3.1Å; W226-M229 HydrophobicContact CZ3-SD 3.96Å; W226-M229 PolarHBondContact O-N 3.49Å; W226-Q230 HydrophobicContact CD2-CG 3.89Å; W226-Q230 VanDerWaalsContact CE2-CG 3.5Å; W226-Q230 HydrophobicContact CE3-CG 4.47Å; W226-Q230 HydrophobicContact CG-CG 4.27Å; W226-Q230 HydrophobicContact CZ2-CG 3.87Å; W226-Q230 WeakPolarHBondContact O-CB 3.46Å; W226-Q230 WeakPolarHBondContact O-CG 3.44Å; W226-Q230 PolarHBondContact O-N 2.93Å
227C86.4Confident87Confident21 Ų2165 Ų6514%0.14234%0.342CS..Hα-helixtrans-61.9-42.7179-166.50000111.6R117 D118 T225 R231R117-C227 WeakPolarHBondContact O-CB 3.36Å; D118-C227 WeakPolarHBondContact O-CB 3.17Å; D118-C227 PolarHBondContact O-N 2.83Å; T225-C227 VanDerWaalsContact C-N 3.26Å; T225-C227 PolarHBondContact O-N 3.35Å; C227-R231 VanDerWaalsContact O-CG 3.26Å; C227-R231 WeakPolarHBondContact O-CG 3.14Å; C227-R231 PolarHBondContact O-N 3.25Å
228Q85.9Confident86.5Confident33 Ų3372.9 Ų72.915%0.15437%0.366CS..Hα-helixtrans-64.5-46176.2-71.9167.2-41.600111Q224 T225 W226 Q230 R231 G232 E233 V235Q224-Q228 HydrophobicContact CG-CB 4.1Å; T225-Q228 PolarHBondContact O-N 3.45Å; T225-Q228 WeakPolarHBondContact OG1-CB 3.38Å; T225-Q228 VanDerWaalsContact OG1-CD 3.25Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.32Å; T225-Q228 PolarHBondContact OG1-N 2.88Å; T225-Q228 PolarHBondContact OG1-OE1 2.97Å; W226-Q228 VanDerWaalsContact C-N 3.33Å; W226-Q228 PolarHBondContact O-N 2.88Å; Q228-Q230 PolarHBondContact O-N 3.29Å; Q228-R231 PolarHBondContact O-N 3.35Å; Q228-R231 VanDerWaalsContact O-N 3.16Å; Q228-G232 PolarHBondContact O-N 2.89Å; Q228-E233 HydrophobicContact CB-CB 4.15Å; Q228-E233 WeakPolarHBondContact CG-OE2 3.37Å; Q228-E233 PolarHBondContact O-N 2.98Å; Q228-V235 HydrophobicContact CB-CG2 4.34Å; Q228-V235 HydrophobicContact CG-CG2 4.5Å
229M88.5Confident86.3Confident68 Ų6871.3 Ų71.334%0.33536%0.363SS..Hα-helixtrans-59.1-46.2178.5-167.2-151.375.500111.8L219 T225 W226 R231 G232L219-M229 HydrophobicContact CD2-CB 4.24Å; L219-M229 HydrophobicContact CD2-CG 4.31Å; L219-M229 HydrophobicContact CD2-SD 3.92Å; T225-M229 PolarHBondContact O-N 3.33Å; W226-M229 HydrophobicContact CD2-CE 4.29Å; W226-M229 HydrophobicContact CE3-CE 3.38Å; W226-M229 HydrophobicContact CE3-SD 4.01Å; W226-M229 HydrophobicContact CH2-CE 3.79Å; W226-M229 HydrophobicContact CZ3-CE 3.1Å; W226-M229 HydrophobicContact CZ3-SD 3.96Å; W226-M229 PolarHBondContact O-N 3.49Å; M229-R231 VanDerWaalsContact C-N 3.25Å; M229-R231 PolarHBondContact O-N 3.31Å; M229-G232 PolarHBondContact O-N 3.05Å; M229-G232 VanDerWaalsContact O-N 3.1Å
230Q86.1Confident86.2Confident118 Ų11875.1 Ų75.155%0.55139%0.389SS*.Hα-helixtrans-65-27.2178.5-76.1-68.8-45.700113.4W226 Q228 G232W226-Q230 HydrophobicContact CD2-CG 3.89Å; W226-Q230 VanDerWaalsContact CE2-CG 3.5Å; W226-Q230 HydrophobicContact CE3-CG 4.47Å; W226-Q230 HydrophobicContact CG-CG 4.27Å; W226-Q230 HydrophobicContact CZ2-CG 3.87Å; W226-Q230 WeakPolarHBondContact O-CB 3.46Å; W226-Q230 WeakPolarHBondContact O-CG 3.44Å; W226-Q230 PolarHBondContact O-N 2.93Å; Q228-Q230 PolarHBondContact O-N 3.29Å; Q230-G232 VanDerWaalsContact C-N 3.33Å
231R80.9Confident86.2Confident109 Ų10980.6 Ų80.641%0.41141%0.408SS..THydrogen-bonded Turntrans-87.8-2.2176.5-66.8179.198.4-97.9-4.2113.1C227 Q228 M229 E233C227-R231 VanDerWaalsContact O-CG 3.26Å; C227-R231 WeakPolarHBondContact O-CG 3.14Å; C227-R231 PolarHBondContact O-N 3.25Å; Q228-R231 PolarHBondContact O-N 3.35Å; Q228-R231 VanDerWaalsContact O-N 3.16Å; M229-R231 VanDerWaalsContact C-N 3.25Å; M229-R231 PolarHBondContact O-N 3.31Å; R231-E233 HydrophobicContact CB-CG 4.12Å; R231-E233 IonicContact CZ-OE1 3.63Å; R231-E233 IonicContact NE-OE1 3.96Å; R231-E233 IonicContact NH1-OE1 2.62Å; R231-E233 PolarHBondContact NH1-OE1 3.31Å; R231-E233 PolarHBondContact O-N 3.24Å
232G82.2Confident86.1Confident60 Ų6087.7 Ų87.762%0.61943%0.43SS*.THydrogen-bonded Turntrans68.323.3-175.800000113.3Q228 M229 Q230 L234Q228-G232 PolarHBondContact O-N 2.89Å; M229-G232 PolarHBondContact O-N 3.05Å; M229-G232 VanDerWaalsContact O-N 3.1Å; Q230-G232 VanDerWaalsContact C-N 3.33Å; G232-L234 PolarHBondContact O-N 3.36Å
233E80.5Confident86.1Confident50 Ų5082.1 Ų82.123%0.23442%0.418CS..  trans-74.4120177.4-70.8175.1-152.600110.1L100 Q224 Q228 R231 V235L100-E233 WeakPolarHBondContact CD2-OE1 3.39Å; Q224-E233 PolarHBondContact NE2-O 3.22Å; Q224-E233 VanDerWaalsContact NE2-O 3.14Å; Q228-E233 HydrophobicContact CB-CB 4.15Å; Q228-E233 WeakPolarHBondContact CG-OE2 3.37Å; Q228-E233 PolarHBondContact O-N 2.98Å; R231-E233 HydrophobicContact CB-CG 4.12Å; R231-E233 IonicContact CZ-OE1 3.63Å; R231-E233 IonicContact NE-OE1 3.96Å; R231-E233 IonicContact NH1-OE1 2.62Å; R231-E233 PolarHBondContact NH1-OE1 3.31Å; R231-E233 PolarHBondContact O-N 3.24Å; E233-V235 PolarHBondContact O-N 3.11Å
234L74Confident86.2Confident176 Ų17681.6 Ų81.692%0.92141%0.408SS*.  trans-77.1118.5171.9-64.1174.7000108.8G232G232-L234 PolarHBondContact O-N 3.36Å
235V77.7Confident86.3Confident56 Ų5681.5 Ų81.534%0.33941%0.409SS..  trans-99.8114.8177.4-1780000108.6Q224 Q228 E233 N237Q224-V235 HydrophobicContact CG-CG2 3.96Å; Q228-V235 HydrophobicContact CB-CG2 4.34Å; Q228-V235 HydrophobicContact CG-CG2 4.5Å; E233-V235 PolarHBondContact O-N 3.11Å; V235-N237 VanDerWaalsContact C-N 3.29Å; V235-N237 HydrophobicContact CG1-CB 4.26Å; V235-N237 PolarHBondContact O-N 2.84Å
236D77.1Confident86.3Confident122 Ų12287.1 Ų87.165%0.65243%0.432SS*.  trans-76.482.9168.6-174.719.1000108.9R238D236-R238 IonicContact OD1-NE 3.62Å; D236-R238 IonicContact OD2-CZ 2.99Å; D236-R238 IonicContact OD2-NE 3.59Å; D236-R238 PolarHBondContact OD2-NE 2.97Å; D236-R238 IonicContact OD2-NH2 3.88Å; D236-R238 PolarHBondContact OD2-NH2 3.25Å
237N82.1Confident86.4Confident51 Ų5187.6 Ų87.627%0.27344%0.44SS..  trans-95.2109.8173.6-174.821.3000110.7R222 G223 V235 S239 N244R222-N237 PolarHBondContact O-ND2 3.34Å; G223-N237 WeakPolarHBondContact CA-ND2 3.43Å; V235-N237 VanDerWaalsContact C-N 3.29Å; V235-N237 HydrophobicContact CG1-CB 4.26Å; V235-N237 PolarHBondContact O-N 2.84Å; N237-S239 VanDerWaalsContact OD1-CB 3.28Å; N237-S239 WeakPolarHBondContact OD1-CB 3.26Å; N237-S239 PolarHBondContact OD1-N 3.38Å; N237-S239 PolarHBondContact OD1-OG 3.22Å; N237-N244 PolarHBondContact ND2-ND2 2.98Å; N237-N244 PolarHBondContact ND2-OD1 3.23Å
238R85.4Confident86.6Confident213 Ų21387.4 Ų87.480%0.80444%0.438SS*.  trans-87.1-6.7176.8-58.7-174.1-176-169.50.9113.5D236D236-R238 IonicContact OD1-NE 3.62Å; D236-R238 IonicContact OD2-CZ 2.99Å; D236-R238 IonicContact OD2-NE 3.59Å; D236-R238 PolarHBondContact OD2-NE 2.97Å; D236-R238 IonicContact OD2-NH2 3.88Å; D236-R238 PolarHBondContact OD2-NH2 3.25Å
239S89.7Confident86.9Confident61 Ų6187 Ų8743%0.42744%0.436SS..SBendtrans-77.7139-178.2-590000111.4N237 N244N237-S239 VanDerWaalsContact OD1-CB 3.28Å; N237-S239 WeakPolarHBondContact OD1-CB 3.26Å; N237-S239 PolarHBondContact OD1-N 3.38Å; N237-S239 PolarHBondContact OD1-OG 3.22Å; S239-N244 WeakPolarHBondContact CB-OD1 3.12Å; S239-N244 PolarHBondContact O-ND2 3.39Å
240P93.2Very high86.9Confident86 Ų8684.1 Ų84.156%0.55842%0.423SS*.  trans-65.9149.4175.428.1-33.7000110.8R242 A243 N244P240-R242 PolarHBondContact O-N 3.38Å; P240-A243 HydrophobicContact CG-CB 3.92Å; P240-A243 WeakPolarHBondContact O-CA 3.47Å; P240-A243 WeakPolarHBondContact O-CB 3.48Å; P240-A243 PolarHBondContact O-N 3.15Å; P240-N244 PolarHBondContact O-N 2.74Å
241W93.3Very high86.8Confident128 Ų12882.1 Ų82.149%0.48543%0.427SS..Hα-helixtrans-53.4-33.8-176.665.9-93.4000114.4A221 A243 N244 L245A221-W241 HydrophobicContact CB-CB 4.21Å; A221-W241 VanDerWaalsContact O-CA 3.28Å; A221-W241 WeakPolarHBondContact O-CA 3.31Å; A221-W241 WeakPolarHBondContact O-CB 3.34Å; W241-A243 VanDerWaalsContact C-N 3.34Å; W241-A243 PolarHBondContact O-N 3.17Å; W241-N244 PolarHBondContact O-N 2.95Å; W241-L245 HydrophobicContact CE3-CD1 3.52Å; W241-L245 HydrophobicContact CE3-CG 4.45Å; W241-L245 HydrophobicContact CZ3-CD1 3.59Å; W241-L245 PolarHBondContact O-N 3.47Å
242R92.4Very high87.1Confident172 Ų17284.3 Ų84.365%0.64944%0.435SS*.Hα-helixtrans-64.6-37.5176.4-65.4-176.2-178.4-85.52.5112.2P240 K246P240-R242 PolarHBondContact O-N 3.38Å; R242-K246 WeakPolarHBondContact O-CB 3.35Å; R242-K246 PolarHBondContact O-N 3.15Å
243A91.8Very high87.2Confident44 Ų4488 Ų8836%0.36443%0.43SS..Hα-helixtrans-67.3-42176.600000110.4P240 W241 L245 K246 D247P240-A243 HydrophobicContact CG-CB 3.92Å; P240-A243 WeakPolarHBondContact O-CA 3.47Å; P240-A243 WeakPolarHBondContact O-CB 3.48Å; P240-A243 PolarHBondContact O-N 3.15Å; W241-A243 VanDerWaalsContact C-N 3.34Å; W241-A243 PolarHBondContact O-N 3.17Å; A243-L245 PolarHBondContact O-N 3.09Å; A243-K246 PolarHBondContact O-N 3.38Å; A243-K246 VanDerWaalsContact O-N 3.16Å; A243-D247 PolarHBondContact O-N 3.28Å
244N92.8Very high87.6Confident20 Ų2090.4 Ų90.411%0.10744%0.443CS..Hα-helixtrans-63.4-42.5177.5-52.8-37.4000112.1V220 A221 N237 S239 P240 W241 K246 D247 V248V220-N244 WeakPolarHBondContact O-CB 3.46Å; A221-N244 PolarHBondContact O-ND2 3.44Å; N237-N244 PolarHBondContact ND2-ND2 2.98Å; N237-N244 PolarHBondContact ND2-OD1 3.23Å; S239-N244 WeakPolarHBondContact CB-OD1 3.12Å; S239-N244 PolarHBondContact O-ND2 3.39Å; P240-N244 PolarHBondContact O-N 2.74Å; W241-N244 PolarHBondContact O-N 2.95Å; N244-K246 VanDerWaalsContact C-N 3.35Å; N244-D247 WeakPolarHBondContact O-CB 3.29Å; N244-D247 PolarHBondContact O-N 3.05Å; N244-V248 PolarHBondContact O-N 3.14Å
245L92.3Very high88.3Confident36 Ų3685.8 Ų85.819%0.18842%0.419CS..Hα-helixtrans-64.5-39.7173.6-70.9174.6000111.8V217 V220 W241 A243 D247 V248 F249V217-L245 HydrophobicContact CG1-CD2 4.38Å; V220-L245 HydrophobicContact CB-CD2 4.48Å; V220-L245 HydrophobicContact CG1-CD2 3.87Å; W241-L245 HydrophobicContact CE3-CD1 3.52Å; W241-L245 HydrophobicContact CE3-CG 4.45Å; W241-L245 HydrophobicContact CZ3-CD1 3.59Å; W241-L245 PolarHBondContact O-N 3.47Å; A243-L245 PolarHBondContact O-N 3.09Å; L245-D247 VanDerWaalsContact C-N 3.3Å; L245-D247 PolarHBondContact O-N 2.79Å; L245-V248 PolarHBondContact O-N 3.35Å; L245-F249 HydrophobicContact CB-CD2 4.4Å; L245-F249 HydrophobicContact CD2-CD2 4.19Å; L245-F249 HydrophobicContact CD2-CE2 3.86Å; L245-F249 WeakPolarHBondContact O-CB 3.24Å; L245-F249 VanDerWaalsContact O-CD2 3.32Å; L245-F249 WeakPolarHBondContact O-CD2 3.5Å; L245-F249 PolarHBondContact O-N 3.47Å
246K91.7Very high88.6Confident134 Ų13483.1 Ų83.158%0.58340%0.403SS*.Hα-helixtrans-64.5-34.3176.9-170.6-179.9177.7-1740112.1R242 A243 N244 V248 G250R242-K246 WeakPolarHBondContact O-CB 3.35Å; R242-K246 PolarHBondContact O-N 3.15Å; A243-K246 PolarHBondContact O-N 3.38Å; A243-K246 VanDerWaalsContact O-N 3.16Å; N244-K246 VanDerWaalsContact C-N 3.35Å; K246-V248 VanDerWaalsContact C-N 3.34Å; K246-G250 WeakPolarHBondContact O-CA 3.23Å; K246-G250 PolarHBondContact O-N 3.28Å
247D89.9Confident89.2Confident82 Ų8280 Ų8044%0.43939%0.387SS..Hα-helixtrans-60.1-43.7174.8-16740.8000111.3R116 A243 N244 L245R116-D247 IonicContact CZ-OD2 3.23Å; R116-D247 IonicContact NH1-OD2 3.89Å; R116-D247 PolarHBondContact NH1-OD2 2.56Å; A243-D247 PolarHBondContact O-N 3.28Å; N244-D247 WeakPolarHBondContact O-CB 3.29Å; N244-D247 PolarHBondContact O-N 3.05Å; L245-D247 VanDerWaalsContact C-N 3.3Å; L245-D247 PolarHBondContact O-N 2.79Å
248V91.6Very high89.6Confident17 Ų1781.8 Ų81.810%0.10340%0.395CS..Hα-helixtrans-79.6-47.3179.8173.20000112.7M133 R134 V220 N244 L245 K246 V264M133-V248 HydrophobicContact CB-CG1 4.06Å; M133-V248 HydrophobicContact CG-CG1 3.82Å; M133-V248 HydrophobicContact CG-CG2 4.48Å; R134-V248 HydrophobicContact CB-CG1 4.03Å; R134-V248 WeakPolarHBondContact CB-O 3.34Å; V220-V248 HydrophobicContact CG1-CB 3.98Å; V220-V248 HydrophobicContact CG1-CG2 3.52Å; V220-V248 HydrophobicContact CG2-CG2 4.11Å; N244-V248 PolarHBondContact O-N 3.14Å; L245-V248 PolarHBondContact O-N 3.35Å; K246-V248 VanDerWaalsContact C-N 3.34Å; V248-V264 WeakPolarHBondContact O-CG2 3.31Å
249F91.7Very high90Very high25 Ų2574.9 Ų74.911%0.1137%0.373CS..Hα-helixtrans-88.6-17.3-171.3-69.3-75.7000114.3R134 I137 M138 L245 W253 T263R134-F249 HydrophobicContact CB-CD1 4.26Å; R134-F249 HydrophobicContact CB-CE1 4.46Å; R134-F249 HydrophobicContact CG-CD1 3.85Å; R134-F249 HydrophobicContact CG-CE1 4.2Å; I137-F249 HydrophobicContact CB-CE1 4.35Å; I137-F249 HydrophobicContact CB-CZ 4.15Å; I137-F249 HydrophobicContact CD1-CE2 4.3Å; I137-F249 HydrophobicContact CD1-CZ 3.69Å; I137-F249 HydrophobicContact CG2-CE1 4.23Å; I137-F249 HydrophobicContact CG2-CZ 3.85Å; M138-F249 HydrophobicContact CE-CD1 3.82Å; M138-F249 HydrophobicContact CE-CE1 3.66Å; L245-F249 HydrophobicContact CB-CD2 4.4Å; L245-F249 HydrophobicContact CD2-CD2 4.19Å; L245-F249 HydrophobicContact CD2-CE2 3.86Å; L245-F249 WeakPolarHBondContact O-CB 3.24Å; L245-F249 VanDerWaalsContact O-CD2 3.32Å; L245-F249 WeakPolarHBondContact O-CD2 3.5Å; L245-F249 PolarHBondContact O-N 3.47Å; F249-W253 HydrophobicContact CB-CB 3.94Å; F249-T263 PolarHBondContact O-OG1 3.42Å
250G88.8Confident90.1Very high7 Ų772.8 Ų72.87%0.07236%0.358CS..  trans77.4169.5-176.600000113.4K246 R252K246-G250 WeakPolarHBondContact O-CA 3.23Å; K246-G250 PolarHBondContact O-N 3.28Å; G250-R252 VanDerWaalsContact C-N 3.25Å; G250-R252 PolarHBondContact O-N 3.31Å
251A84.8Confident90Very high75 Ų7571.1 Ų71.162%0.6235%0.347SS*.THydrogen-bonded Turntrans-66.7-28.5178.200000112.6W253A251-W253 VanDerWaalsContact C-N 3.33Å; A251-W253 PolarHBondContact O-N 2.86Å
252R86.8Confident89.6Confident155 Ų15568.8 Ų68.859%0.58534%0.341SS*.THydrogen-bonded Turntrans-96.138.1-178.6-51.8-175.5-157-172.99112.3G250 I254 L255 G256 T263 E265G250-R252 VanDerWaalsContact C-N 3.25Å; G250-R252 PolarHBondContact O-N 3.31Å; R252-I254 PolarHBondContact O-N 2.87Å; R252-L255 WeakPolarHBondContact O-CB 3.18Å; R252-L255 PolarHBondContact O-N 2.98Å; R252-L255 VanDerWaalsContact O-N 3.13Å; R252-G256 PolarHBondContact O-N 2.95Å; R252-T263 HydrophobicContact CB-CG2 4.46Å; R252-T263 WeakPolarHBondContact O-CG2 3.47Å; R252-E265 IonicContact NH2-OE1 2.67Å; R252-E265 PolarHBondContact NH2-OE1 2.68Å; R252-E265 VanDerWaalsContact NH2-OE1 3.14Å
253W84.3Confident89.1Confident139 Ų13961.1 Ų61.153%0.52731%0.313SS..Hα-helixtrans-58.7-30.4-17366.4-82.7000114.1F249 A251 G256 L257F249-W253 HydrophobicContact CB-CB 3.94Å; A251-W253 VanDerWaalsContact C-N 3.33Å; A251-W253 PolarHBondContact O-N 2.86Å; W253-G256 CarbonylContact O-C 3.28Å; W253-G256 WeakPolarHBondContact O-CA 3.38Å; W253-G256 PolarHBondContact O-N 3.15Å; W253-G256 VanDerWaalsContact O-N 3.1Å; W253-L257 HydrophobicContact CE3-CD1 3.55Å; W253-L257 HydrophobicContact CE3-CG 4.24Å; W253-L257 HydrophobicContact CZ3-CD1 3.39Å; W253-L257 HydrophobicContact CZ3-CG 4.5Å; W253-L257 PolarHBondContact O-N 3.34Å
254I87.8Confident88.5Confident99 Ų9961.4 Ų61.451%0.50831%0.311SS..Hα-helixtrans-62.1-44.7176.2-60.9175.6000111.3R252 G256 L257 I258R252-I254 PolarHBondContact O-N 2.87Å; I254-G256 PolarHBondContact O-N 3.46Å; I254-L257 WeakPolarHBondContact O-CB 3.31Å; I254-L257 PolarHBondContact O-N 3.41Å; I254-L257 VanDerWaalsContact O-N 3.1Å; I254-I258 HydrophobicContact CG2-CD1 4.41Å; I254-I258 PolarHBondContact O-N 3.05Å
255L88.9Confident87.3Confident79 Ų7966.6 Ų66.641%0.41433%0.334SS..Hα-helixtrans-59.6-38.8175-179.964.2000110.3R252 L257 I258 L259 V261 T263R252-L255 WeakPolarHBondContact O-CB 3.18Å; R252-L255 PolarHBondContact O-N 2.98Å; R252-L255 VanDerWaalsContact O-N 3.13Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 2.91Å; L255-I258 PolarHBondContact O-N 3.36Å; L255-L259 HydrophobicContact CD1-CD1 4.01Å; L255-L259 PolarHBondContact O-N 3.2Å; L255-V261 HydrophobicContact CD1-CG2 4.42Å; L255-V261 HydrophobicContact CD2-CG2 3.88Å; L255-V261 HydrophobicContact CG-CG2 3.72Å; L255-T263 HydrophobicContact CB-CG2 4.5Å
256G85.4Confident85.7Confident0 Ų069.6 Ų69.60%035%0.349CS..Hα-helixtrans-74.4-14.217900000115.8R134 R252 W253 I254R134-G256 PolarHBondContact NH2-O 3.31Å; R252-G256 PolarHBondContact O-N 2.95Å; W253-G256 CarbonylContact O-C 3.28Å; W253-G256 WeakPolarHBondContact O-CA 3.38Å; W253-G256 PolarHBondContact O-N 3.15Å; W253-G256 VanDerWaalsContact O-N 3.1Å; I254-G256 PolarHBondContact O-N 3.46Å
257L87.9Confident83.7Confident58 Ų5873.1 Ų73.130%0.30436%0.36SS..Hα-helixtrans-75.1-46.3166.1-79.4169.3000109.8M138 Y142 W253 I254 L255M138-L257 HydrophobicContact CE-CD2 3.42Å; M138-L257 VanDerWaalsContact CE-CD2 3.42Å; M138-L257 HydrophobicContact CE-CG 3.96Å; M138-L257 HydrophobicContact SD-CD2 3.84Å; Y142-L257 VanDerWaalsContact CE2-O 3.28Å; Y142-L257 WeakPolarHBondContact CE2-O 3.38Å; Y142-L257 VanDerWaalsContact CZ-O 3.26Å; Y142-L257 PolarHBondContact OH-O 3.23Å; W253-L257 HydrophobicContact CE3-CD1 3.55Å; W253-L257 HydrophobicContact CE3-CG 4.24Å; W253-L257 HydrophobicContact CZ3-CD1 3.39Å; W253-L257 HydrophobicContact CZ3-CG 4.5Å; W253-L257 PolarHBondContact O-N 3.34Å; I254-L257 WeakPolarHBondContact O-CB 3.31Å; I254-L257 PolarHBondContact O-N 3.41Å; I254-L257 VanDerWaalsContact O-N 3.1Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 2.91Å
258I91.1Very high81.3Confident88 Ų8872.9 Ų72.945%0.45136%0.364SS..Hα-helixtrans-80.9-33.4-170.6-58171.6000112F59 N63 I254 L255F59-I258 HydrophobicContact CE2-CG2 4.15Å; N63-I258 PolarHBondContact ND2-O 3.47Å; N63-I258 PolarHBondContact OD1-O 2.88Å; N63-I258 VanDerWaalsContact OD1-O 3.11Å; I254-I258 HydrophobicContact CG2-CD1 4.41Å; I254-I258 PolarHBondContact O-N 3.05Å; L255-I258 PolarHBondContact O-N 3.36Å
259L93.2Very high78.9Confident67 Ų6781 Ų8135%0.35140%0.401SS..SBendtrans-131.3143.8-173.8-63.7176.1000112.5F62 L255 V261F62-L259 HydrophobicContact CE1-CD2 3.94Å; L255-L259 HydrophobicContact CD1-CD1 4.01Å; L255-L259 PolarHBondContact O-N 3.2Å; L259-V261 HydrophobicContact CB-CG1 4.02Å; L259-V261 HydrophobicContact CB-CG2 4.03Å; L259-V261 PolarHBondContact O-N 3.02Å
260P92.6Very high76.4Confident17 Ų1786.8 Ų86.811%0.1143%0.433CS..SBendtrans-78.661.5174.435.2-36.5000111F62 G66 M70F62-P260 VanDerWaalsContact CE1-CD 3.4Å; F62-P260 HydrophobicContact CE1-CG 3.85Å; F62-P260 HydrophobicContact CZ-CG 3.87Å; G66-P260 VanDerWaalsContact C-CB 3.44Å; M70-P260 HydrophobicContact CG-CB 4.22Å; M70-P260 WeakPolarHBondContact CG-O 3.18Å
261V90.4Very high73.7Confident52 Ų5291.9 Ų91.932%0.31546%0.463SS..SBendtrans-117.1164.6-178.7-64.50000111.2R134 L255 L259R134-V261 PolarHBondContact NH1-O 3.25Å; R134-V261 PolarHBondContact NH2-O 3.35Å; L255-V261 HydrophobicContact CD1-CG2 4.42Å; L255-V261 HydrophobicContact CD2-CG2 3.88Å; L255-V261 HydrophobicContact CG-CG2 3.72Å; L259-V261 HydrophobicContact CB-CG1 4.02Å; L259-V261 HydrophobicContact CB-CG2 4.03Å; L259-V261 PolarHBondContact O-N 3.02Å
262Q85.5Confident71.4Confident78 Ų7895.8 Ų95.836%0.36447%0.474SS..  trans-71.9130.4175.6-171.6173.4-11.400111.5Y74 Y135 V264Y74-Q262 PolarHBondContact OH-OE1 3.45Å; Y135-Q262 VanDerWaalsContact OH-CA 3.27Å; Y135-Q262 WeakPolarHBondContact OH-CA 3.35Å; Q262-V264 WeakPolarHBondContact CG-O 3.21Å; Q262-V264 PolarHBondContact NE2-O 3.14Å
263T81.5Confident69Low11 Ų1192 Ų927%0.06748%0.483CS..  trans-123.3-8.618059.10000113.8R134 F249 R252 L255R134-T263 VanDerWaalsContact CD-OG1 3.26Å; R134-T263 WeakPolarHBondContact CD-OG1 3.32Å; R134-T263 VanDerWaalsContact CZ-CG2 3.48Å; R134-T263 PolarHBondContact NE-OG1 2.99Å; R134-T263 VanDerWaalsContact NE-OG1 3.08Å; R134-T263 VanDerWaalsContact NH1-N 3.2Å; R134-T263 PolarHBondContact NH1-OG1 3.16Å; F249-T263 PolarHBondContact O-OG1 3.42Å; R252-T263 HydrophobicContact CB-CG2 4.46Å; R252-T263 WeakPolarHBondContact O-CG2 3.47Å; L255-T263 HydrophobicContact CB-CG2 4.5Å
264V79.2Confident66.7Low51 Ų5193.3 Ų93.331%0.30950%0.499SS..SBendtrans-106.1120.6174.6-176.90000106.6V248 Q262 M266V248-V264 WeakPolarHBondContact O-CG2 3.31Å; Q262-V264 WeakPolarHBondContact CG-O 3.21Å; Q262-V264 PolarHBondContact NE2-O 3.14Å; V264-M266 PolarHBondContact O-N 2.92Å
265E67.5Low64.2Low129 Ų12997.9 Ų97.960%0.60352%0.515SS*.  trans-66.8114.7168.5-76169.1-162.700106.9R252 Y267R252-E265 IonicContact NH2-OE1 2.67Å; R252-E265 PolarHBondContact NH2-OE1 2.68Å; R252-E265 VanDerWaalsContact NH2-OE1 3.14Å; E265-Y267 PolarHBondContact O-N 2.94Å
266M59.5Low61.7Low99 Ų99103.2 Ų103.249%0.48854%0.538SS..  trans-76.5109.1171.2-67.7-158.7-60.900106Y74 K131 V264 S268Y74-M266 HydrophobicContact CD1-CE 4.39Å; Y74-M266 HydrophobicContact CE1-CE 4.46Å; K131-M266 HydrophobicContact CD-SD 4.31Å; K131-M266 HydrophobicContact CG-SD 4.29Å; V264-M266 PolarHBondContact O-N 2.92Å; M266-S268 PolarHBondContact O-N 3.07Å; M266-S268 VanDerWaalsContact O-N 3.07Å
267Y48.8Very low59.3Low208 Ų208115 Ų11582%0.81660%0.601SS**  trans-60.8113.3166.2-78-86.5000107.2E265 E269E265-Y267 PolarHBondContact O-N 2.94Å; Y267-E269 PolarHBondContact O-N 3.1Å
268S39.3Very low57.9Low77 Ų77117.9 Ų117.954%0.53862%0.616SS.*  trans-65.8118.7161.149.30000106.6M266 D270M266-S268 PolarHBondContact O-N 3.07Å; M266-S268 VanDerWaalsContact O-N 3.07Å; S268-D270 PolarHBondContact O-N 3.24Å
269E41.9Very low56.1Low188 Ų188119.5 Ų119.588%0.87963%0.625SS**G310 helixtrans-63.34.9173.9-74-179.3152.300113.2Y267 T271Y267-E269 PolarHBondContact O-N 3.1Å; E269-T271 PolarHBondContact O-N 2.99Å
270D38.7Very low54.1Low146 Ų146122.4 Ų122.478%0.78164%0.64SS**G310 helixtrans-80.73.4-173.1-83.6-22.9000116.2S268S268-D270 PolarHBondContact O-N 3.24Å
271T33.5Very low51.8Low113 Ų113128.6 Ų128.669%0.69367%0.671SS**G310 helixtrans-121.6-0.2-175.550.60000118E269E269-T271 PolarHBondContact O-N 2.99Å
272D35.9Very low49.4Very low158 Ų158133.4 Ų133.485%0.84569%0.694SS**SBendtrans-105.7-0.1178.1-79.2-16.6000114.4
273G37Very low47Very low75 Ų75137.1 Ų137.177%0.77372%0.715SS**THydrogen-bonded Turntrans-85.81.1179.300000116.6
274L36.2Very low44.5Very low166 Ų166146.1 Ų146.187%0.86976%0.762SS**THydrogen-bonded Turntrans-122.219.4-171-92.9161000115
275K33.6Very low41.8Very low196 Ų196153.4 Ų153.485%0.85280%0.797SS**SBendtrans-133.163.3172-71.3-173.3179.7177.50111.7
276Q36.7Very low39.7Very low191 Ų191155.4 Ų155.489%0.89381%0.813SS**  trans-158.877.1155.6-109.7167.743.800107.9
277D35.6Very low37.9Very low248 Ų248160.5 Ų160.5100%1.32684%0.842SS**  trans-136.80152.3-81.8-27.9000107.1

Retrieved 277 of 277 residues in 251.3 ms (Link to these results)

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