A0A087X816_POEFO Loading...

Transmembrane protein 260

AlphaFold DB , UniProt , Accession A0A087X816, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 687 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
1M45.2Very low74.6Confident118 Ų11894.3 Ų94.358%0.58147%0.471SS*.  0-77.40-149.9164.975.100115A3 E4 Q5M1-A3 PolarHBondContact O-N 3.41Å; M1-E4 PolarHBondContact N-OE2 3.1Å; M1-E4 PolarHBondContact O-N 2.93Å; M1-Q5 VanDerWaalsContact O-CB 3.29Å; M1-Q5 WeakPolarHBondContact O-CB 3.39Å; M1-Q5 PolarHBondContact O-N 3.33Å
2F44.6Very low76.5Confident176 Ų17687.5 Ų87.577%0.77244%0.438SS*.Hα-helixtrans-60.3-42.2-176-101-81.9000114.3K6F2-K6 WeakPolarHBondContact O-CB 3.27Å; F2-K6 PolarHBondContact O-N 3.42Å
3A46Very low78.1Confident84 Ų8483.8 Ų83.869%0.69444%0.436SS*.Hα-helixtrans-68.9-38.9178.400000113M1 K6 G7M1-A3 PolarHBondContact O-N 3.41Å; A3-K6 PolarHBondContact O-N 2.88Å; A3-G7 PolarHBondContact O-N 3.11Å
4E62Low79.5Confident123 Ų12383.9 Ų83.958%0.57544%0.442SS*.Hα-helixtrans-68.5-38.7175.6-70.3163.714100111.7M1 G7 G8M1-E4 PolarHBondContact N-OE2 3.1Å; M1-E4 PolarHBondContact O-N 2.93Å; E4-G7 PolarHBondContact O-N 3.07Å; E4-G8 PolarHBondContact O-N 3.38Å
5Q73.4Confident80.8Confident90 Ų9079.1 Ų79.142%0.42142%0.417SS..Hα-helixtrans-65.4-42.4176-154.417112.800110.4M1 G8 W9M1-Q5 VanDerWaalsContact O-CB 3.29Å; M1-Q5 WeakPolarHBondContact O-CB 3.39Å; M1-Q5 PolarHBondContact O-N 3.33Å; Q5-G8 PolarHBondContact O-N 2.72Å; Q5-W9 PolarHBondContact O-N 3.47Å
6K83.8Confident81.9Confident145 Ų14576.9 Ų76.963%0.6341%0.408SS*.Hα-helixtrans-61.1-44.1172.3-170.9178.4-179-178.50112F2 A3 W9 I10F2-K6 WeakPolarHBondContact O-CB 3.27Å; F2-K6 PolarHBondContact O-N 3.42Å; A3-K6 PolarHBondContact O-N 2.88Å; K6-W9 PolarHBondContact O-N 3.46Å; K6-I10 HydrophobicContact CG-CD1 4.01Å; K6-I10 VanDerWaalsContact O-CG1 3.31Å; K6-I10 WeakPolarHBondContact O-CG1 3.46Å; K6-I10 PolarHBondContact O-N 2.91Å; K6-I10 VanDerWaalsContact O-N 3.07Å
7G87.9Confident82.9Confident24 Ų2476.1 Ų76.125%0.24742%0.415CS..Hα-helixtrans-61.9-40.8176.900000113.2A3 E4 I10 L11A3-G7 PolarHBondContact O-N 3.11Å; E4-G7 PolarHBondContact O-N 3.07Å; G7-I10 PolarHBondContact O-N 3.04Å; G7-L11 WeakPolarHBondContact O-CB 3.35Å; G7-L11 PolarHBondContact O-N 2.99Å
8G92Very high83.7Confident4 Ų479.9 Ų79.94%0.04143%0.427CS..Hα-helixtrans-60.5-47.6174.900000112.9E4 Q5 L11 T12E4-G8 PolarHBondContact O-N 3.38Å; Q5-G8 PolarHBondContact O-N 2.72Å; G8-L11 PolarHBondContact O-N 3.47Å; G8-T12 WeakPolarHBondContact O-CB 3.41Å; G8-T12 PolarHBondContact O-N 3.17Å; G8-T12 PolarHBondContact O-OG1 3.02Å
9W93.6Very high84.5Confident141 Ų14176 Ų7653%0.53441%0.406SS..Hα-helixtrans-64-40.6177.8-72.3115.5000113.2Q5 K6 T12 G13 L94 F141Q5-W9 PolarHBondContact O-N 3.47Å; K6-W9 PolarHBondContact O-N 3.46Å; W9-T12 PolarHBondContact O-N 3.37Å; W9-G13 PolarHBondContact O-N 2.77Å; W9-L94 HydrophobicContact CD2-CD1 4.26Å; W9-L94 HydrophobicContact CE3-CD1 4.12Å; W9-L94 HydrophobicContact CE3-CD2 4.13Å; W9-L94 HydrophobicContact CH2-CD2 3.6Å; W9-L94 HydrophobicContact CZ2-CD2 4.31Å; W9-L94 HydrophobicContact CZ3-CD1 4.31Å; W9-L94 HydrophobicContact CZ3-CD2 3.49Å; W9-L94 VanDerWaalsContact CZ3-CD2 3.49Å; W9-F141 HydrophobicContact CH2-CZ 4.32Å; W9-F141 HydrophobicContact CZ2-CZ 4.36Å
10I96.2Very high85.2Confident102 Ų10273.1 Ų73.152%0.52339%0.393SS..Hα-helixtrans-62.4-45.9176-68.7166.5000110.3K6 G7 G13 T14K6-I10 HydrophobicContact CG-CD1 4.01Å; K6-I10 VanDerWaalsContact O-CG1 3.31Å; K6-I10 WeakPolarHBondContact O-CG1 3.46Å; K6-I10 PolarHBondContact O-N 2.91Å; K6-I10 VanDerWaalsContact O-N 3.07Å; G7-I10 PolarHBondContact O-N 3.04Å; I10-G13 PolarHBondContact O-N 3.41Å; I10-T14 WeakPolarHBondContact O-CB 3.41Å; I10-T14 PolarHBondContact O-N 3.22Å; I10-T14 PolarHBondContact O-OG1 3.46Å
11L96.3Very high85.8Confident30 Ų3072.8 Ų72.816%0.15740%0.401CS..Hα-helixtrans-63.2-45.6179.6-171.960.2000111.3G7 G8 T14 T15 T93 P102 A106 V107 W376G7-L11 WeakPolarHBondContact O-CB 3.35Å; G7-L11 PolarHBondContact O-N 2.99Å; G8-L11 PolarHBondContact O-N 3.47Å; L11-T14 WeakPolarHBondContact O-CB 3.47Å; L11-T14 PolarHBondContact O-N 2.92Å; L11-T15 PolarHBondContact O-N 3.3Å; L11-T15 PolarHBondContact O-OG1 2.91Å; L11-T93 HydrophobicContact CG-CG2 4.4Å; L11-P102 HydrophobicContact CD2-CB 3.92Å; L11-A106 HydrophobicContact CD2-CB 4.25Å; L11-V107 HydrophobicContact CD1-CG2 3.58Å; L11-V107 HydrophobicContact CD2-CG2 3.98Å; L11-V107 HydrophobicContact CG-CG2 3.89Å; L11-W376 HydrophobicContact CD1-CH2 4.22Å
12T96.9Very high88.4Confident13 Ų1369.2 Ų69.28%0.0839%0.386CS..Hα-helixtrans-58.9-47.7174.5-69.30000112G8 W9 T14 T15 V16 G90 L94G8-T12 WeakPolarHBondContact O-CB 3.41Å; G8-T12 PolarHBondContact O-N 3.17Å; G8-T12 PolarHBondContact O-OG1 3.02Å; W9-T12 PolarHBondContact O-N 3.37Å; T12-T14 VanDerWaalsContact C-N 3.26Å; T12-T14 PolarHBondContact O-N 3.07Å; T12-T15 PolarHBondContact O-N 3.47Å; T12-V16 HydrophobicContact CG2-CG2 4.5Å; T12-V16 WeakPolarHBondContact O-CG2 3.38Å; T12-V16 PolarHBondContact O-N 2.83Å; T12-G90 VanDerWaalsContact CG2-O 3.31Å; T12-G90 WeakPolarHBondContact CG2-O 3.39Å; T12-L94 HydrophobicContact CG2-CB 4.15Å; T12-L94 WeakPolarHBondContact OG1-CA 3.12Å; T12-L94 WeakPolarHBondContact OG1-CB 3.14Å; T12-L94 WeakPolarHBondContact OG1-CD1 3.45Å
13G97.9Very high90.9Very high40 Ų4060.9 Ų60.941%0.41235%0.349SS..Hα-helixtrans-60.6-37.4177.200000112.5W9 I10 V16 A17W9-G13 PolarHBondContact O-N 2.77Å; I10-G13 PolarHBondContact O-N 3.41Å; G13-V16 PolarHBondContact O-N 3.35Å; G13-A17 WeakPolarHBondContact O-CB 3.4Å; G13-A17 PolarHBondContact O-N 2.97Å
14T97.7Very high93.4Very high84 Ų8459.7 Ų59.752%0.51533%0.333SS..Hα-helixtrans-66-44.4175.1-52.90000111.3I10 L11 T12 A17 F18I10-T14 WeakPolarHBondContact O-CB 3.41Å; I10-T14 PolarHBondContact O-N 3.22Å; I10-T14 PolarHBondContact O-OG1 3.46Å; L11-T14 WeakPolarHBondContact O-CB 3.47Å; L11-T14 PolarHBondContact O-N 2.92Å; T12-T14 VanDerWaalsContact C-N 3.26Å; T12-T14 PolarHBondContact O-N 3.07Å; T14-A17 PolarHBondContact O-N 3.43Å; T14-F18 WeakPolarHBondContact O-CB 3.46Å; T14-F18 PolarHBondContact O-N 3Å
15T97.9Very high95.1Very high12 Ų1257.5 Ų57.57%0.07433%0.33CS..Hα-helixtrans-59.1-48.2174.7-57.10000111L11 T12 A17 F18 V19 T93L11-T15 PolarHBondContact O-N 3.3Å; L11-T15 PolarHBondContact O-OG1 2.91Å; T12-T15 PolarHBondContact O-N 3.47Å; T15-A17 PolarHBondContact O-N 3.38Å; T15-F18 PolarHBondContact O-N 2.91Å; T15-V19 HydrophobicContact CG2-CG2 4.13Å; T15-V19 WeakPolarHBondContact O-CB 3.46Å; T15-V19 VanDerWaalsContact O-CG2 3.27Å; T15-V19 WeakPolarHBondContact O-CG2 3.41Å; T15-V19 PolarHBondContact O-N 3.32Å; T15-T93 WeakPolarHBondContact CG2-OG1 3.31Å
16V98.7Very high96.3Very high45 Ų4553.4 Ų53.427%0.27331%0.311SS..Hα-helixtrans-59.3-47179.1174.30000110.8T12 G13 F18 V19 A20 A86T12-V16 HydrophobicContact CG2-CG2 4.5Å; T12-V16 WeakPolarHBondContact O-CG2 3.38Å; T12-V16 PolarHBondContact O-N 2.83Å; G13-V16 PolarHBondContact O-N 3.35Å; V16-F18 PolarHBondContact O-N 2.91Å; V16-V19 PolarHBondContact O-N 3.4Å; V16-A20 VanDerWaalsContact O-CB 3.26Å; V16-A20 WeakPolarHBondContact O-CB 3.3Å; V16-A20 PolarHBondContact O-N 2.83Å; V16-A86 HydrophobicContact CG1-CB 4.34Å
17A98.6Very high97Very high63 Ų6346.5 Ų46.552%0.52128%0.281SS..Hα-helixtrans-62.8-42.4179.600000112.3G13 T14 T15 A21G13-A17 WeakPolarHBondContact O-CB 3.4Å; G13-A17 PolarHBondContact O-N 2.97Å; T14-A17 PolarHBondContact O-N 3.43Å; T15-A17 PolarHBondContact O-N 3.38Å; A17-A21 WeakPolarHBondContact O-CB 3.42Å; A17-A21 PolarHBondContact O-N 3.34Å
18F98.3Very high97.5Very high144 Ų14445.5 Ų45.563%0.63227%0.269SS*.Hα-helixtrans-66.3-47.1177.9-176.5-94.7000111.9T14 T15 V16 A20 A21 V22T14-F18 WeakPolarHBondContact O-CB 3.46Å; T14-F18 PolarHBondContact O-N 3Å; T15-F18 PolarHBondContact O-N 2.91Å; V16-F18 PolarHBondContact O-N 2.91Å; F18-A20 VanDerWaalsContact C-N 3.34Å; F18-A20 PolarHBondContact O-N 3.31Å; F18-A21 WeakPolarHBondContact O-CB 3.17Å; F18-A21 PolarHBondContact O-N 2.88Å; F18-A21 VanDerWaalsContact O-N 3.15Å; F18-V22 HydrophobicContact CD1-CG2 4.36Å; F18-V22 HydrophobicContact CE1-CG2 3.97Å; F18-V22 HydrophobicContact CZ-CG2 4.22Å; F18-V22 WeakPolarHBondContact O-CG2 3.32Å; F18-V22 PolarHBondContact O-N 3.46Å; F18-V22 VanDerWaalsContact O-N 3.07Å
19V98.7Very high97.8Very high6 Ų652.1 Ų52.14%0.03629%0.293CS..Hα-helixtrans-62.9-42.5178.1176.30000110.6T15 V16 A21 V22 Y23 A86 C89 A114T15-V19 HydrophobicContact CG2-CG2 4.13Å; T15-V19 WeakPolarHBondContact O-CB 3.46Å; T15-V19 VanDerWaalsContact O-CG2 3.27Å; T15-V19 WeakPolarHBondContact O-CG2 3.41Å; T15-V19 PolarHBondContact O-N 3.32Å; V16-V19 PolarHBondContact O-N 3.4Å; V19-A21 VanDerWaalsContact C-N 3.31Å; V19-A21 PolarHBondContact O-N 3.33Å; V19-V22 PolarHBondContact O-N 3.43Å; V19-V22 VanDerWaalsContact O-N 3.13Å; V19-Y23 HydrophobicContact CG1-CD1 4.05Å; V19-Y23 HydrophobicContact CG1-CD2 3.81Å; V19-Y23 HydrophobicContact CG1-CE1 3.94Å; V19-Y23 HydrophobicContact CG1-CE2 3.7Å; V19-Y23 HydrophobicContact CG1-CG 4Å; V19-Y23 WeakPolarHBondContact O-CB 3.34Å; V19-Y23 PolarHBondContact O-N 3.38Å; V19-A86 HydrophobicContact CB-CB 4.05Å; V19-A86 HydrophobicContact CG1-CB 3.82Å; V19-C89 HydrophobicContact CG2-CB 4.34Å; V19-A114 HydrophobicContact CB-CB 4.37Å; V19-A114 HydrophobicContact CG1-CB 3.84Å; V19-A114 HydrophobicContact CG2-CB 3.52Å
20A98.7Very high98Very high18 Ų1846.3 Ų46.315%0.14927%0.273CS..Hα-helixtrans-60.7-40.3174.200000112.1V16 F18 V22 Y23 V24 L83 A86V16-A20 VanDerWaalsContact O-CB 3.26Å; V16-A20 WeakPolarHBondContact O-CB 3.3Å; V16-A20 PolarHBondContact O-N 2.83Å; F18-A20 VanDerWaalsContact C-N 3.34Å; F18-A20 PolarHBondContact O-N 3.31Å; A20-V22 PolarHBondContact O-N 3.18Å; A20-Y23 PolarHBondContact O-N 3.35Å; A20-V24 WeakPolarHBondContact O-CB 3.4Å; A20-V24 VanDerWaalsContact O-CG2 3.24Å; A20-V24 WeakPolarHBondContact O-CG2 3.45Å; A20-V24 PolarHBondContact O-N 2.93Å; A20-L83 HydrophobicContact CB-CD2 4.32Å; A20-A86 HydrophobicContact CB-CB 4.04Å
21A98.2Very high98.1Very high67 Ų6741.5 Ų41.555%0.55425%0.249SC*.Hα-helixtrans-64.8-27.5176.600000113.2A17 F18 V19 P25A17-A21 WeakPolarHBondContact O-CB 3.42Å; A17-A21 PolarHBondContact O-N 3.34Å; F18-A21 WeakPolarHBondContact O-CB 3.17Å; F18-A21 PolarHBondContact O-N 2.88Å; F18-A21 VanDerWaalsContact O-N 3.15Å; V19-A21 VanDerWaalsContact C-N 3.31Å; V19-A21 PolarHBondContact O-N 3.33Å; A21-P25 WeakPolarHBondContact O-CD 3.41Å; A21-P25 WeakPolarHBondContact O-CG 3.29Å
22V97.9Very high98.1Very high43 Ų4340.3 Ų40.326%0.26124%0.243SC..Hα-helixtrans-81-43.6173.6173.70000111.3F18 V19 A20 C26 W120F18-V22 HydrophobicContact CD1-CG2 4.36Å; F18-V22 HydrophobicContact CE1-CG2 3.97Å; F18-V22 HydrophobicContact CZ-CG2 4.22Å; F18-V22 WeakPolarHBondContact O-CG2 3.32Å; F18-V22 PolarHBondContact O-N 3.46Å; F18-V22 VanDerWaalsContact O-N 3.07Å; V19-V22 PolarHBondContact O-N 3.43Å; V19-V22 VanDerWaalsContact O-N 3.13Å; A20-V22 PolarHBondContact O-N 3.18Å; V22-C26 PolarHBondContact O-SG 3.04Å; V22-W120 HydrophobicContact CG1-CH2 3.33Å; V22-W120 HydrophobicContact CG1-CZ2 3.28Å; V22-W120 HydrophobicContact CG1-CZ3 4.2Å
23Y98.5Very high98Very high1 Ų140.2 Ų40.20%0.00424%0.244CC..Hα-helixtrans-74.7-49.5-173.3-79.810000113.1V19 A20 C26 V27 S82 A114 W120 S123 M124V19-Y23 HydrophobicContact CG1-CD1 4.05Å; V19-Y23 HydrophobicContact CG1-CD2 3.81Å; V19-Y23 HydrophobicContact CG1-CE1 3.94Å; V19-Y23 HydrophobicContact CG1-CE2 3.7Å; V19-Y23 HydrophobicContact CG1-CG 4Å; V19-Y23 WeakPolarHBondContact O-CB 3.34Å; V19-Y23 PolarHBondContact O-N 3.38Å; A20-Y23 PolarHBondContact O-N 3.35Å; Y23-C26 WeakPolarHBondContact O-CA 3.46Å; Y23-C26 WeakPolarHBondContact O-CB 3.24Å; Y23-C26 PolarHBondContact O-N 2.86Å; Y23-V27 PolarHBondContact O-N 3.46Å; Y23-S82 WeakPolarHBondContact CD2-O 3.21Å; Y23-A114 VanDerWaalsContact CE1-O 3.29Å; Y23-A114 WeakPolarHBondContact CE1-O 3.46Å; Y23-A114 WeakPolarHBondContact OH-CA 3.39Å; Y23-A114 PolarHBondContact OH-O 3.48Å; Y23-W120 AromaticContact CD1-CD1 3.91Å; Y23-W120 HydrophobicContact CD1-CD2 4.35Å; Y23-W120 HydrophobicContact CD1-CG 4.3Å; Y23-W120 AromaticContact CD1-NE1 3.76Å; Y23-W120 HydrophobicContact CE1-CB 4.24Å; Y23-W120 AromaticContact CE1-CD1 3.69Å; Y23-W120 AromaticContact CE1-CD2 3.86Å; Y23-W120 HydrophobicContact CE1-CD2 3.86Å; Y23-W120 AromaticContact CE1-CG 3.67Å; Y23-W120 HydrophobicContact CE1-CG 3.67Å; Y23-W120 AromaticContact CE1-NE1 3.92Å; Y23-S123 WeakPolarHBondContact CE2-OG 3.38Å; Y23-M124 HydrophobicContact CD1-CE 3.96Å; Y23-M124 HydrophobicContact CD2-CE 3.83Å; Y23-M124 HydrophobicContact CE2-CE 4.41Å; Y23-M124 HydrophobicContact CG-CE 3.56Å
24V98.4Very high97.8Very high59 Ų5938.5 Ų38.536%0.35823%0.227SC..Hα-helixtrans-55.2-43.4-172.5169.50000113.1A20 C26 V27 L79 L83A20-V24 WeakPolarHBondContact O-CB 3.4Å; A20-V24 VanDerWaalsContact O-CG2 3.24Å; A20-V24 WeakPolarHBondContact O-CG2 3.45Å; A20-V24 PolarHBondContact O-N 2.93Å; V24-C26 PolarHBondContact O-N 2.91Å; V24-V27 WeakPolarHBondContact O-CB 3.35Å; V24-V27 PolarHBondContact O-N 3.38Å; V24-L79 HydrophobicContact CB-CD1 4.29Å; V24-L79 HydrophobicContact CG1-CD1 3.84Å; V24-L79 HydrophobicContact CG2-CD1 3.79Å; V24-L83 HydrophobicContact CG2-CD2 4.03Å
25P98.2Very high97.6Very high77 Ų7735.5 Ų35.550%0.521%0.207SC..Hα-helixtrans-64.4-27.2176.1-23.835.7000114.3A21 S397A21-P25 WeakPolarHBondContact O-CD 3.41Å; A21-P25 WeakPolarHBondContact O-CG 3.29Å; P25-S397 WeakPolarHBondContact O-CB 3.12Å
26C98.3Very high97.6Very high3 Ų335 Ų352%0.0220%0.204CC..Hα-helixtrans-88-7.7-176.7-62.80000113.4V22 Y23 V24 M124 Q396 S397V22-C26 PolarHBondContact O-SG 3.04Å; Y23-C26 WeakPolarHBondContact O-CA 3.46Å; Y23-C26 WeakPolarHBondContact O-CB 3.24Å; Y23-C26 PolarHBondContact O-N 2.86Å; V24-C26 PolarHBondContact O-N 2.91Å; C26-M124 VanDerWaalsContact C-SD 3.53Å; C26-M124 HydrophobicContact CB-SD 3.48Å; C26-M124 WeakPolarHBondContact CB-SD 3.47Å; C26-Q396 CarbonylContact O-C 3.52Å; C26-Q396 WeakPolarHBondContact O-CA 3.5Å; C26-Q396 WeakPolarHBondContact O-CB 3.47Å; C26-Q396 PolarHBondContact O-N 3.37Å; C26-S397 PolarHBondContact O-N 3.41Å
27V98.3Very high97.5Very high1 Ų132.8 Ų32.81%0.00619%0.191CC..  trans-59.9137.1-175.2166.50000111.9Y23 V24 R29 N78 L79 S82 M124 S397Y23-V27 PolarHBondContact O-N 3.46Å; V24-V27 WeakPolarHBondContact O-CB 3.35Å; V24-V27 PolarHBondContact O-N 3.38Å; V27-R29 PolarHBondContact O-N 3.49Å; V27-N78 HydrophobicContact CG1-CB 3.65Å; V27-L79 HydrophobicContact CG1-CB 4.47Å; V27-L79 HydrophobicContact CG2-CD1 4.49Å; V27-S82 VanDerWaalsContact CG2-CB 3.41Å; V27-S82 WeakPolarHBondContact CG2-OG 3.14Å; V27-M124 HydrophobicContact CG2-SD 4.32Å; V27-S397 WeakPolarHBondContact O-CA 3.44Å
28Q98.1Very high97.5Very high2 Ų230 Ų301%0.00917%0.167CC..  trans-67.6129.6173.4-164.2167.6-3.100110.8N78 M124 V125 Q396 N399Q28-N78 WeakPolarHBondContact O-CB 3.23Å; Q28-N78 PolarHBondContact O-ND2 3.3Å; Q28-M124 PolarHBondContact N-O 3.04Å; Q28-V125 HydrophobicContact CB-CG1 4.43Å; Q28-Q396 WeakPolarHBondContact CA-O 3.43Å; Q28-Q396 HydrophobicContact CB-CB 3.7Å; Q28-Q396 HydrophobicContact CG-CB 4.22Å; Q28-N399 HydrophobicContact CG-CB 4.37Å; Q28-N399 WeakPolarHBondContact CG-O 3.18Å; Q28-N399 PolarHBondContact NE2-O 2.83Å
29R97.9Very high97.5Very high144 Ų14423.2 Ų23.254%0.54314%0.138SC..  trans-92.1-13.6-176.4-61.7178.9-178.4174.92.6113.8V27 S72 H75V27-R29 PolarHBondContact O-N 3.49Å; R29-S72 PolarHBondContact O-OG 2.89Å; R29-H75 WeakPolarHBondContact O-CB 3.36Å
30T98.1Very high97.5Very high19 Ų1922.9 Ų22.912%0.11714%0.136CC..SBendtrans-115.3177.8-178.964.10000110.7P32 N78 N399 D400 E403T30-P32 VanDerWaalsContact O-CD 3.28Å; T30-P32 WeakPolarHBondContact O-CD 3.37Å; T30-N78 PolarHBondContact O-ND2 2.86Å; T30-N78 VanDerWaalsContact O-ND2 3.14Å; T30-N399 PolarHBondContact OG1-O 3.28Å; T30-D400 HydrophobicContact CG2-CB 3.9Å; T30-D400 WeakPolarHBondContact OG1-CA 3.41Å; T30-E403 VanDerWaalsContact CB-OE2 3.24Å; T30-E403 WeakPolarHBondContact CB-OE2 3.25Å; T30-E403 HydrophobicContact CG2-CB 4.22Å; T30-E403 HydrophobicContact CG2-CG 4.5Å
31V98Very high97.5Very high0 Ų022 Ų220%013%0.129CC..  trans-64.9124.3175.559.30000111.3I40 A74 E403 Y432V31-I40 HydrophobicContact CG2-CD1 4.39Å; V31-A74 HydrophobicContact CB-CB 4.32Å; V31-E403 HydrophobicContact CG1-CB 3.83Å; V31-E403 HydrophobicContact CG1-CG 4.35Å; V31-E403 PolarHBondContact N-OE2 3.23Å; V31-Y432 HydrophobicContact CB-CD1 3.45Å; V31-Y432 VanDerWaalsContact CB-CD1 3.45Å; V31-Y432 HydrophobicContact CB-CE1 3.56Å; V31-Y432 HydrophobicContact CB-CG 4.01Å; V31-Y432 HydrophobicContact CG1-CD1 3.49Å; V31-Y432 VanDerWaalsContact CG1-CD1 3.49Å; V31-Y432 HydrophobicContact CG1-CE1 3.74Å; V31-Y432 HydrophobicContact CG1-CG 4.38Å; V31-Y432 HydrophobicContact CG2-CD1 3.85Å; V31-Y432 HydrophobicContact CG2-CE1 4.39Å; V31-Y432 HydrophobicContact CG2-CG 3.93Å
32P97.1Very high97.5Very high6 Ų618.9 Ų18.94%0.03910%0.102CC..  trans-74.2166.1170.6-13.129.1000112.1T30 V125T30-P32 VanDerWaalsContact O-CD 3.28Å; T30-P32 WeakPolarHBondContact O-CD 3.37Å; P32-V125 HydrophobicContact CB-CB 3.97Å; P32-V125 HydrophobicContact CB-CG1 3.77Å; P32-V125 HydrophobicContact CG-CB 3.66Å; P32-V125 HydrophobicContact CG-CG1 3.66Å
33G94.6Very high97.5Very high10 Ų1016.8 Ų16.810%0.1039%0.09CC..SBendtrans-74.4179.7172.600000114.2
34G92.9Very high97.4Very high5 Ų517.5 Ų17.55%0.05210%0.095CC..THydrogen-bonded Turntrans70.2-137.5178.800000113.2S36 N428G34-S36 VanDerWaalsContact C-N 3.28Å; G34-S36 PolarHBondContact O-N 2.9Å; G34-N428 PolarHBondContact O-ND2 3.34Å
35D95.1Very high97.3Very high20 Ų2016.6 Ų16.611%0.1079%0.087CC..THydrogen-bonded Turntrans-74-21-173.6-60.4-35.5000112.4G37 E38 L39 R337D35-G37 VanDerWaalsContact C-N 3.33Å; D35-G37 PolarHBondContact O-N 3.34Å; D35-E38 WeakPolarHBondContact O-CB 3.27Å; D35-E38 PolarHBondContact O-N 3.48Å; D35-L39 HydrophobicContact CB-CD1 4.24Å; D35-L39 WeakPolarHBondContact O-CG 3.43Å; D35-L39 PolarHBondContact O-N 2.93Å; D35-R337 IonicContact OD2-CZ 3.78Å; D35-R337 IonicContact OD2-NH1 3.38Å; D35-R337 PolarHBondContact OD2-NH1 3.12Å; D35-R337 IonicContact OD2-NH2 3.99Å; D35-R337 PolarHBondContact OD2-NH2 3.09Å
36S97.1Very high97.3Very high1 Ų115.9 Ų15.91%0.0078%0.078CC..Hα-helixtrans-51.6-44.8-174.9-690000113.8G34 E38 L39 I40 A126 E127G34-S36 VanDerWaalsContact C-N 3.28Å; G34-S36 PolarHBondContact O-N 2.9Å; S36-E38 VanDerWaalsContact C-N 3.3Å; S36-E38 PolarHBondContact O-N 3.24Å; S36-L39 PolarHBondContact O-N 3.18Å; S36-I40 WeakPolarHBondContact O-CB 3.32Å; S36-I40 WeakPolarHBondContact O-CD1 3.36Å; S36-I40 WeakPolarHBondContact O-CG1 3.26Å; S36-I40 PolarHBondContact O-N 3.37Å; S36-A126 PolarHBondContact OG-O 2.97Å; S36-E127 PolarHBondContact N-OE1 3.42Å; S36-E127 VanDerWaalsContact N-OE1 3.11Å; S36-E127 WeakPolarHBondContact OG-CG 3.18Å; S36-E127 PolarHBondContact OG-OE1 2.87Å
37G97.4Very high97.3Very high0 Ų015.7 Ų15.70%08%0.077CC..Hα-helixtrans-62.1-36178.800000113.1D35 T41D35-G37 VanDerWaalsContact C-N 3.33Å; D35-G37 PolarHBondContact O-N 3.34Å; G37-T41 WeakPolarHBondContact O-CB 3.43Å; G37-T41 PolarHBondContact O-N 3.46Å; G37-T41 PolarHBondContact O-OG1 2.93Å
38E97.8Very high97.2Very high4 Ų415.7 Ų15.72%0.0198%0.077CC..Hα-helixtrans-71.7-47.7175.1-165.4-152167.200111.4D35 S36 I40 T41 T42 H50 W230 N428D35-E38 WeakPolarHBondContact O-CB 3.27Å; D35-E38 PolarHBondContact O-N 3.48Å; S36-E38 VanDerWaalsContact C-N 3.3Å; S36-E38 PolarHBondContact O-N 3.24Å; E38-I40 VanDerWaalsContact C-N 3.28Å; E38-I40 PolarHBondContact O-N 2.96Å; E38-T41 PolarHBondContact O-N 2.89Å; E38-T41 VanDerWaalsContact O-N 3.13Å; E38-T42 HydrophobicContact CG-CG2 4.24Å; E38-T42 VanDerWaalsContact O-CG2 3.24Å; E38-T42 WeakPolarHBondContact O-CG2 3.35Å; E38-T42 PolarHBondContact O-N 3.2Å; E38-T42 PolarHBondContact O-OG1 3.31Å; E38-T42 VanDerWaalsContact O-OG1 3.09Å; E38-H50 PolarHBondContact OE1-N 2.9Å; E38-H50 IonicContact OE2-CE1 3.88Å; E38-H50 IonicContact OE2-CG 3.9Å; E38-H50 IonicContact OE2-ND1 3.82Å; E38-H50 PolarHBondContact OE2-ND1 3Å; E38-W230 HydrophobicContact CG-CZ2 4.21Å; E38-W230 VanDerWaalsContact CG-NE1 3.3Å; E38-W230 PolarHBondContact OE1-NE1 2.81Å; E38-N428 HydrophobicContact CB-CB 4.49Å
39L98.4Very high97.2Very high1 Ų115.6 Ų15.61%0.0058%0.076CC..Hα-helixtrans-58.7-41.4179.5-67.9172.3000111.6D35 S36 T42 A43 A49 Y54 F57 A126 V128D35-L39 HydrophobicContact CB-CD1 4.24Å; D35-L39 WeakPolarHBondContact O-CG 3.43Å; D35-L39 PolarHBondContact O-N 2.93Å; S36-L39 PolarHBondContact O-N 3.18Å; L39-T42 PolarHBondContact O-OG1 2.96Å; L39-A43 WeakPolarHBondContact O-CB 3.34Å; L39-A43 PolarHBondContact O-N 3.47Å; L39-A49 HydrophobicContact CD2-CB 4Å; L39-Y54 HydrophobicContact CD2-CD2 4.22Å; L39-F57 HydrophobicContact CB-CE1 4.09Å; L39-F57 HydrophobicContact CD1-CE1 4.37Å; L39-A126 WeakPolarHBondContact CD1-O 3.46Å; L39-V128 HydrophobicContact CD1-CG1 3.86Å; L39-V128 HydrophobicContact CD2-CG1 3.91Å
40I98.6Very high97.1Very high0 Ų09.3 Ų9.30%05%0.053CC..Hα-helixtrans-68.3-45.4175.5-63.4159.9000110.4V31 S36 E38 T42 A43 C44 M65 P73 A74 V77 A126 Y432V31-I40 HydrophobicContact CG2-CD1 4.39Å; S36-I40 WeakPolarHBondContact O-CB 3.32Å; S36-I40 WeakPolarHBondContact O-CD1 3.36Å; S36-I40 WeakPolarHBondContact O-CG1 3.26Å; S36-I40 PolarHBondContact O-N 3.37Å; E38-I40 VanDerWaalsContact C-N 3.28Å; E38-I40 PolarHBondContact O-N 2.96Å; I40-T42 PolarHBondContact O-N 3.43Å; I40-A43 PolarHBondContact O-N 3.22Å; I40-C44 PolarHBondContact O-N 3.36Å; I40-C44 PolarHBondContact O-SG 3.41Å; I40-M65 HydrophobicContact CG2-CE 3.78Å; I40-P73 HydrophobicContact CG2-CB 4.1Å; I40-A74 HydrophobicContact CD1-CB 3.85Å; I40-V77 HydrophobicContact CG1-CB 4.35Å; I40-V77 HydrophobicContact CG1-CG1 4.49Å; I40-A126 HydrophobicContact CD1-CB 3.61Å; I40-A126 HydrophobicContact CG1-CB 3.59Å; I40-Y432 HydrophobicContact CB-CD2 4.15Å; I40-Y432 HydrophobicContact CB-CE2 4.48Å; I40-Y432 HydrophobicContact CG2-CD2 3.57Å; I40-Y432 HydrophobicContact CG2-CE2 3.53Å
41T98.1Very high96.9Very high0 Ų08.4 Ų8.40%05%0.048CC..Hα-helixtrans-58.4-48.5178.5-58.50000112.1G37 E38 A43 C44 E45 W230 R431 Y432 Y435 C436G37-T41 WeakPolarHBondContact O-CB 3.43Å; G37-T41 PolarHBondContact O-N 3.46Å; G37-T41 PolarHBondContact O-OG1 2.93Å; E38-T41 PolarHBondContact O-N 2.89Å; E38-T41 VanDerWaalsContact O-N 3.13Å; T41-A43 PolarHBondContact O-N 3.17Å; T41-C44 WeakPolarHBondContact O-CB 3.28Å; T41-C44 PolarHBondContact O-N 2.89Å; T41-C44 VanDerWaalsContact O-N 3.11Å; T41-E45 PolarHBondContact O-N 3.18Å; T41-E45 VanDerWaalsContact O-N 3.1Å; T41-W230 HydrophobicContact CG2-CB 4.2Å; T41-R431 HydrophobicContact CG2-CG 3.66Å; T41-Y432 VanDerWaalsContact OG1-CA 3.29Å; T41-Y432 WeakPolarHBondContact OG1-CA 3.35Å; T41-Y432 PolarHBondContact OG1-N 3.03Å; T41-Y435 HydrophobicContact CG2-CD2 3.95Å; T41-C436 VanDerWaalsContact CA-SG 3.57Å
42T97.8Very high96.7Very high0 Ų08.5 Ų8.50%05%0.049CC..Hα-helixtrans-61.7-36.4-179.856.30000110.9E38 L39 I40 L46 G47 A49E38-T42 HydrophobicContact CG-CG2 4.24Å; E38-T42 VanDerWaalsContact O-CG2 3.24Å; E38-T42 WeakPolarHBondContact O-CG2 3.35Å; E38-T42 PolarHBondContact O-N 3.2Å; E38-T42 PolarHBondContact O-OG1 3.31Å; E38-T42 VanDerWaalsContact O-OG1 3.09Å; L39-T42 PolarHBondContact O-OG1 2.96Å; I40-T42 PolarHBondContact O-N 3.43Å; T42-L46 CarbonylContact O-C 3.56Å; T42-L46 VanDerWaalsContact O-CA 3.25Å; T42-L46 WeakPolarHBondContact O-CA 3.38Å; T42-L46 PolarHBondContact O-N 3.1Å; T42-G47 PolarHBondContact O-N 2.92Å; T42-A49 HydrophobicContact CG2-CB 4.04Å
43A98.2Very high96.7Very high0 Ų08.2 Ų8.20%05%0.047CC..Hα-helixtrans-68.9-4017200000113.4L39 I40 T41 E45 L46 T58 A61 R62 M65L39-A43 WeakPolarHBondContact O-CB 3.34Å; L39-A43 PolarHBondContact O-N 3.47Å; I40-A43 PolarHBondContact O-N 3.22Å; T41-A43 PolarHBondContact O-N 3.17Å; A43-E45 VanDerWaalsContact C-N 3.28Å; A43-E45 PolarHBondContact O-N 3.39Å; A43-L46 PolarHBondContact O-N 3.17Å; A43-T58 HydrophobicContact CB-CG2 4.26Å; A43-A61 HydrophobicContact CB-CB 3.58Å; A43-R62 WeakPolarHBondContact O-CD 3.28Å; A43-M65 HydrophobicContact CB-CE 3.79Å
44C97.6Very high96.8Very high16 Ų168.7 Ų8.711%0.1085%0.045CC..Hα-helixtrans-58-39.9175.8-65.40000112.4I40 T41 R62 C436I40-C44 PolarHBondContact O-N 3.36Å; I40-C44 PolarHBondContact O-SG 3.41Å; T41-C44 WeakPolarHBondContact O-CB 3.28Å; T41-C44 PolarHBondContact O-N 2.89Å; T41-C44 VanDerWaalsContact O-N 3.11Å; C44-R62 PolarHBondContact O-NH1 2.93Å; C44-C436 HydrophobicContact CB-CB 4.08Å; C44-C436 WeakPolarHBondContact CB-SG 3.43Å; C44-C436 WeakPolarHBondContact SG-CB 3.35Å; C44-C436 CovalentContact SG-SG 2.05Å; C44-C436 PolarHBondContact SG-SG 2.69Å
45E96.4Very high97Very high40 Ų408.4 Ų8.419%0.1874%0.043CC..Hα-helixtrans-101.9-4.2-172.8-64.8-83.4125.100113.2T41 A43 G47 A228 R229T41-E45 PolarHBondContact O-N 3.18Å; T41-E45 VanDerWaalsContact O-N 3.1Å; A43-E45 VanDerWaalsContact C-N 3.28Å; A43-E45 PolarHBondContact O-N 3.39Å; E45-G47 VanDerWaalsContact C-N 3.27Å; E45-G47 PolarHBondContact O-N 2.87Å; E45-A228 HydrophobicContact CB-CB 3.7Å; E45-A228 WeakPolarHBondContact O-CB 3.26Å; E45-R229 IonicContact OE1-CZ 2.88Å; E45-R229 IonicContact OE1-NE 3.74Å; E45-R229 IonicContact OE1-NH2 2.89Å; E45-R229 PolarHBondContact OE1-NH2 3.24Å; E45-R229 IonicContact OE2-CZ 2.64Å; E45-R229 PolarHBondContact OE2-N 3.3Å; E45-R229 VanDerWaalsContact OE2-N 3.11Å; E45-R229 IonicContact OE2-NE 2.75Å; E45-R229 PolarHBondContact OE2-NE 3.36Å; E45-R229 IonicContact OE2-NH2 3.43Å
46L97.7Very high97.2Very high61 Ų618.2 Ų8.232%0.3194%0.042SC..THydrogen-bonded Turntrans53.643.3-169-70.1171.4000112.8T42 A43 L59 R62 Y218 S222T42-L46 CarbonylContact O-C 3.56Å; T42-L46 VanDerWaalsContact O-CA 3.25Å; T42-L46 WeakPolarHBondContact O-CA 3.38Å; T42-L46 PolarHBondContact O-N 3.1Å; A43-L46 PolarHBondContact O-N 3.17Å; L46-L59 HydrophobicContact CD2-CD2 4.26Å; L46-R62 HydrophobicContact CD2-CB 3.94Å; L46-R62 HydrophobicContact CD2-CG 3.79Å; L46-R62 HydrophobicContact CG-CG 4.21Å; L46-Y218 VanDerWaalsContact CA-OH 3.23Å; L46-Y218 WeakPolarHBondContact CA-OH 3.32Å; L46-Y218 HydrophobicContact CD2-CE2 4.25Å; L46-Y218 PolarHBondContact O-OH 3.34Å; L46-S222 PolarHBondContact O-OG 3.36Å
47G97.3Very high97.3Very high0 Ų08.1 Ų8.10%04%0.042CC..  trans-86.5-176.7170.900000113.2T42 E45 Y218T42-G47 PolarHBondContact O-N 2.92Å; E45-G47 VanDerWaalsContact C-N 3.27Å; E45-G47 PolarHBondContact O-N 2.87Å; G47-Y218 PolarHBondContact N-OH 3.32Å; G47-Y218 WeakPolarHBondContact O-CE1 3.46Å; G47-Y218 PolarHBondContact O-OH 2.9Å
48V97.7Very high97.3Very high0 Ų08.1 Ų8.10%04%0.042CC..PPolyproline II helixtrans-102.5128.1174.5-177.70000109.5L219 S231 W232V48-L219 HydrophobicContact CG1-CD2 4.41Å; V48-L219 HydrophobicContact CG1-CG 4.04Å; V48-L219 HydrophobicContact CG2-CB 4.44Å; V48-L219 HydrophobicContact CG2-CG 4.42Å; V48-S231 WeakPolarHBondContact CB-OG 3.47Å; V48-S231 PolarHBondContact N-OG 2.95Å; V48-W232 PolarHBondContact O-N 3.48Å
49A97.4Very high97.3Very high0 Ų011.4 Ų11.40%06%0.059CC..PPolyproline II helixtrans-77169174.500000112.3L39 T42 G53 Y54 H244L39-A49 HydrophobicContact CD2-CB 4Å; T42-A49 HydrophobicContact CG2-CB 4.04Å; A49-G53 WeakPolarHBondContact O-CA 3.31Å; A49-Y54 HydrophobicContact CB-CD2 4.13Å; A49-H244 PolarHBondContact O-CE1 2.99Å; A49-H244 VanDerWaalsContact O-CE1 3.26Å; A49-H244 PolarHBondContact O-NE2 3.04Å; A49-H244 VanDerWaalsContact O-NE2 3.12Å
50H95.5Very high97.4Very high13 Ų1314.3 Ų14.36%0.067%0.074CC..SBendtrans-47.8151173.469-96.1000112.9E38 G53 Y54 W232E38-H50 PolarHBondContact OE1-N 2.9Å; E38-H50 IonicContact OE2-CE1 3.88Å; E38-H50 IonicContact OE2-CG 3.9Å; E38-H50 IonicContact OE2-ND1 3.82Å; E38-H50 PolarHBondContact OE2-ND1 3Å; H50-G53 WeakPolarHBondContact O-CA 3.44Å; H50-G53 PolarHBondContact O-N 3.45Å; H50-Y54 AromaticContact CD2-CE2 3.7Å; H50-Y54 AromaticContact CE1-CE2 3.93Å; H50-Y54 AromaticContact NE2-CE2 3.41Å; H50-Y54 WeakPolarHBondContact NE2-CE2 3.33Å; H50-Y54 AromaticContact NE2-CZ 3.76Å; H50-Y54 PolarHBondContact NE2-OH 2.88Å; H50-Y54 VanDerWaalsContact O-CE2 3.26Å; H50-Y54 WeakPolarHBondContact O-CE2 3.02Å; H50-W232 HydrophobicContact CB-CD2 3.9Å; H50-W232 HydrophobicContact CB-CE3 3.61Å; H50-W232 HydrophobicContact CB-CG 4.47Å; H50-W232 HydrophobicContact CB-CH2 4.36Å; H50-W232 HydrophobicContact CB-CZ3 3.86Å
51P94.8Very high97.4Very high0 Ų014.3 Ų14.30%07%0.074CC..THydrogen-bonded Turntrans-50.6128.9-176.8-31.933.5000115.2H244 R247 Y250P51-H244 WeakPolarHBondContact CB-O 3.18Å; P51-R247 HydrophobicContact CB-CB 4.03Å; P51-R247 HydrophobicContact CB-CG 3.73Å; P51-R247 PolarHBondContact O-NE 3.48Å; P51-Y250 HydrophobicContact CB-CD2 4.23Å; P51-Y250 HydrophobicContact CB-CE2 3.99Å; P51-Y250 HydrophobicContact CG-CD2 4.38Å; P51-Y250 HydrophobicContact CG-CE2 3.99Å
52P94.2Very high97.4Very high2 Ų219.2 Ų19.21%0.0139%0.093CC..THydrogen-bonded Turncis-96.716.216.538.7-36.7000115.1H174 Y216 R247P52-H174 WeakPolarHBondContact CB-CE1 3.26Å; P52-Y216 WeakPolarHBondContact O-CE1 3.42Å; P52-R247 HydrophobicContact CB-CG 4.21Å
53G95.4Very high97.4Very high0 Ų023.3 Ų23.30%011%0.114CC..  trans94.3-11.7170.700000117A49 H50 P55 H244A49-G53 WeakPolarHBondContact O-CA 3.31Å; H50-G53 WeakPolarHBondContact O-CA 3.44Å; H50-G53 PolarHBondContact O-N 3.45Å; G53-P55 VanDerWaalsContact C-CD 3.43Å; G53-H244 PolarHBondContact N-NE2 2.97Å
54Y97.3Very high97.4Very high19 Ų1924 Ų248%0.07512%0.119CC..  trans47.843.1168.6-49.2-86.5000116.7L39 A49 H50 V56 F57 T58 V128 C171 N172L39-Y54 HydrophobicContact CD2-CD2 4.22Å; A49-Y54 HydrophobicContact CB-CD2 4.13Å; H50-Y54 AromaticContact CD2-CE2 3.7Å; H50-Y54 AromaticContact CE1-CE2 3.93Å; H50-Y54 AromaticContact NE2-CE2 3.41Å; H50-Y54 WeakPolarHBondContact NE2-CE2 3.33Å; H50-Y54 AromaticContact NE2-CZ 3.76Å; H50-Y54 PolarHBondContact NE2-OH 2.88Å; H50-Y54 VanDerWaalsContact O-CE2 3.26Å; H50-Y54 WeakPolarHBondContact O-CE2 3.02Å; Y54-V56 VanDerWaalsContact C-N 3.29Å; Y54-V56 PolarHBondContact O-N 3.47Å; Y54-V56 VanDerWaalsContact O-N 3.1Å; Y54-F57 WeakPolarHBondContact O-CB 3.46Å; Y54-F57 PolarHBondContact O-N 2.88Å; Y54-T58 PolarHBondContact O-N 3.41Å; Y54-T58 PolarHBondContact O-OG1 3.44Å; Y54-V128 HydrophobicContact CD1-CB 3.63Å; Y54-V128 HydrophobicContact CD1-CG1 3.3Å; Y54-V128 HydrophobicContact CD1-CG2 3.93Å; Y54-V128 HydrophobicContact CD2-CG1 4.3Å; Y54-V128 HydrophobicContact CE1-CB 3.81Å; Y54-V128 HydrophobicContact CE1-CG1 3.76Å; Y54-V128 HydrophobicContact CE1-CG2 3.53Å; Y54-V128 HydrophobicContact CG-CB 4.45Å; Y54-V128 HydrophobicContact CG-CG1 3.63Å; Y54-C171 CarbonylContact C-O 3.55Å; Y54-N172 WeakPolarHBondContact CD1-O 3.49Å; Y54-N172 VanDerWaalsContact CE1-O 3.3Å; Y54-N172 WeakPolarHBondContact CE1-O 3.41Å
55P97.9Very high97.5Very high0 Ų024.2 Ų24.20%012%0.119CC..Hα-helixtrans-54.9-38-169.218.6-33.1000114.6G53 L59 C171 P215 Y216 Y218 L219G53-P55 VanDerWaalsContact C-CD 3.43Å; P55-L59 WeakPolarHBondContact O-CB 3.48Å; P55-L59 WeakPolarHBondContact O-CG 3.5Å; P55-L59 PolarHBondContact O-N 3.49Å; P55-C171 WeakPolarHBondContact CD-O 3.28Å; P55-C171 HydrophobicContact CG-CB 4.04Å; P55-C171 WeakPolarHBondContact CG-O 3.34Å; P55-P215 HydrophobicContact CB-CB 4.37Å; P55-P215 WeakPolarHBondContact CB-O 3.41Å; P55-Y216 HydrophobicContact CG-CD1 4.05Å; P55-Y216 HydrophobicContact CG-CE1 4.09Å; P55-Y216 HydrophobicContact CG-CG 4.38Å; P55-Y218 HydrophobicContact CB-CD1 3.89Å; P55-Y218 HydrophobicContact CB-CG 4.4Å; P55-L219 HydrophobicContact CB-CD1 3.73Å; P55-L219 HydrophobicContact CG-CD1 3.71Å
56V98.4Very high97.5Very high15 Ų1531 Ų319%0.09114%0.144CC..Hα-helixtrans-67.5-42.5179.1-179.60000110.8Y54 L60 L131 F135 L168 C171 P215Y54-V56 VanDerWaalsContact C-N 3.29Å; Y54-V56 PolarHBondContact O-N 3.47Å; Y54-V56 VanDerWaalsContact O-N 3.1Å; V56-L60 HydrophobicContact CG1-CD1 3.93Å; V56-L60 HydrophobicContact CG1-CG 4.43Å; V56-L60 WeakPolarHBondContact O-CB 3.5Å; V56-L60 VanDerWaalsContact O-CG 3.27Å; V56-L60 WeakPolarHBondContact O-CG 3.39Å; V56-L60 PolarHBondContact O-N 3Å; V56-L131 HydrophobicContact CG1-CD2 4.04Å; V56-F135 HydrophobicContact CG1-CZ 4.38Å; V56-L168 HydrophobicContact CG1-CD1 4.41Å; V56-L168 HydrophobicContact CG2-CD1 3.53Å; V56-L168 HydrophobicContact CG2-CG 4.31Å; V56-C171 HydrophobicContact CG2-CB 3.48Å; V56-C171 VanDerWaalsContact CG2-CB 3.48Å; V56-P215 HydrophobicContact CG2-CB 3.9Å; V56-P215 HydrophobicContact CG2-CG 3.99Å
57F98.6Very high97.6Very high0 Ų033 Ų330%015%0.154CC..Hα-helixtrans-63-47.9176.8-174.7-92000110.9L39 Y54 L59 L60 A61 V77 M80 E127 V128 L131L39-F57 HydrophobicContact CB-CE1 4.09Å; L39-F57 HydrophobicContact CD1-CE1 4.37Å; Y54-F57 WeakPolarHBondContact O-CB 3.46Å; Y54-F57 PolarHBondContact O-N 2.88Å; F57-L59 PolarHBondContact O-N 3.48Å; F57-L60 PolarHBondContact O-N 3.34Å; F57-A61 HydrophobicContact CE1-CB 4.45Å; F57-A61 VanDerWaalsContact O-CB 3.27Å; F57-A61 WeakPolarHBondContact O-CB 3.34Å; F57-A61 PolarHBondContact O-N 2.91Å; F57-V77 HydrophobicContact CE1-CG1 4.36Å; F57-V77 HydrophobicContact CZ-CG1 4.03Å; F57-M80 HydrophobicContact CD2-CE 4.36Å; F57-M80 HydrophobicContact CE2-CE 3.92Å; F57-M80 HydrophobicContact CZ-CE 4.2Å; F57-E127 VanDerWaalsContact CE2-O 3.29Å; F57-E127 WeakPolarHBondContact CE2-O 3.27Å; F57-V128 HydrophobicContact CB-CG1 4.36Å; F57-V128 HydrophobicContact CD1-CG1 4.08Å; F57-V128 HydrophobicContact CD2-CG1 4.27Å; F57-V128 HydrophobicContact CE1-CG1 4.46Å; F57-V128 HydrophobicContact CG-CG1 3.97Å; F57-L131 HydrophobicContact CB-CD2 4.09Å; F57-L131 HydrophobicContact CD2-CB 4.25Å; F57-L131 HydrophobicContact CD2-CD2 4.16Å
58T98.5Very high97.6Very high0 Ų034.9 Ų34.90%016%0.164CC..Hα-helixtrans-58.8-45.3-179.6-53.80000111.9A43 Y54 A61 R62 Y218A43-T58 HydrophobicContact CB-CG2 4.26Å; Y54-T58 PolarHBondContact O-N 3.41Å; Y54-T58 PolarHBondContact O-OG1 3.44Å; T58-A61 PolarHBondContact O-N 2.82Å; T58-R62 PolarHBondContact O-N 3.48Å; T58-Y218 HydrophobicContact CG2-CE1 4.16Å
59L98.5Very high97.5Very high73 Ų7339.4 Ų39.438%0.38219%0.193SC..Hα-helixtrans-68.5-39.4179.2-67.7173.1000112.4L46 P55 F57 R62 L63 Y218L46-L59 HydrophobicContact CD2-CD2 4.26Å; P55-L59 WeakPolarHBondContact O-CB 3.48Å; P55-L59 WeakPolarHBondContact O-CG 3.5Å; P55-L59 PolarHBondContact O-N 3.49Å; F57-L59 PolarHBondContact O-N 3.48Å; L59-R62 PolarHBondContact O-N 3.36Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 PolarHBondContact O-N 3.06Å; L59-Y218 HydrophobicContact CD2-CD2 3.9Å; L59-Y218 HydrophobicContact CD2-CE2 3.91Å; L59-Y218 HydrophobicContact CG-CD2 4.45Å
60L98.7Very high97.5Very high61 Ų6148.3 Ų48.332%0.31923%0.227SC..Hα-helixtrans-67.9-39.5175-72.6176.1000112V56 F57 L63 S64 M80 L131V56-L60 HydrophobicContact CG1-CD1 3.93Å; V56-L60 HydrophobicContact CG1-CG 4.43Å; V56-L60 WeakPolarHBondContact O-CB 3.5Å; V56-L60 VanDerWaalsContact O-CG 3.27Å; V56-L60 WeakPolarHBondContact O-CG 3.39Å; V56-L60 PolarHBondContact O-N 3Å; F57-L60 PolarHBondContact O-N 3.34Å; L60-L63 PolarHBondContact O-N 2.94Å; L60-S64 WeakPolarHBondContact O-CB 3.4Å; L60-S64 PolarHBondContact O-N 3.01Å; L60-M80 VanDerWaalsContact C-SD 3.52Å; L60-M80 HydrophobicContact CB-SD 3.83Å; L60-L131 HydrophobicContact CD1-CD1 4.24Å; L60-L131 HydrophobicContact CD1-CD2 3.95Å
61A98.7Very high97.6Very high0 Ų049.7 Ų49.70%024%0.235CC..Hα-helixtrans-62-45.1174.900000111A43 F57 T58 L63 S64 M65 V77 M80A43-A61 HydrophobicContact CB-CB 3.58Å; F57-A61 HydrophobicContact CE1-CB 4.45Å; F57-A61 VanDerWaalsContact O-CB 3.27Å; F57-A61 WeakPolarHBondContact O-CB 3.34Å; F57-A61 PolarHBondContact O-N 2.91Å; T58-A61 PolarHBondContact O-N 2.82Å; A61-L63 VanDerWaalsContact C-N 3.34Å; A61-L63 PolarHBondContact O-N 2.87Å; A61-S64 WeakPolarHBondContact O-CB 3.48Å; A61-S64 PolarHBondContact O-N 3.49Å; A61-M65 WeakPolarHBondContact O-CG 3.5Å; A61-M65 PolarHBondContact O-N 2.98Å; A61-V77 HydrophobicContact CB-CG1 3.97Å; A61-V77 HydrophobicContact CB-CG2 3.83Å; A61-M80 HydrophobicContact CB-CE 4.21Å
62R98.4Very high97.8Very high103 Ų10351.5 Ų51.539%0.38925%0.247SC..Hα-helixtrans-59.8-43.7173.3178.659.4169.7-164.6-5.5112A43 C44 L46 T58 L59 S64 M65 Y66A43-R62 WeakPolarHBondContact O-CD 3.28Å; C44-R62 PolarHBondContact O-NH1 2.93Å; L46-R62 HydrophobicContact CD2-CB 3.94Å; L46-R62 HydrophobicContact CD2-CG 3.79Å; L46-R62 HydrophobicContact CG-CG 4.21Å; T58-R62 PolarHBondContact O-N 3.48Å; L59-R62 PolarHBondContact O-N 3.36Å; R62-S64 VanDerWaalsContact C-N 3.34Å; R62-M65 PolarHBondContact O-N 3.33Å; R62-Y66 PolarHBondContact O-N 3.34Å
63L98.6Very high98Very high87 Ų8752.9 Ų52.946%0.45526%0.256SS..Hα-helixtrans-62.6-42.3177.117862.1000111.4L59 L60 A61 M65 Y66 L67L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 PolarHBondContact O-N 3.06Å; L60-L63 PolarHBondContact O-N 2.94Å; A61-L63 VanDerWaalsContact C-N 3.34Å; A61-L63 PolarHBondContact O-N 2.87Å; L63-M65 PolarHBondContact O-N 3.37Å; L63-Y66 WeakPolarHBondContact O-CB 3.37Å; L63-Y66 PolarHBondContact O-N 2.9Å; L63-L67 HydrophobicContact CD1-CD1 4.07Å; L63-L67 HydrophobicContact CD1-CG 4.05Å; L63-L67 HydrophobicContact CG-CD1 3.94Å; L63-L67 HydrophobicContact CG-CG 4.32Å; L63-L67 VanDerWaalsContact O-CG 3.32Å; L63-L67 WeakPolarHBondContact O-CG 3.49Å; L63-L67 PolarHBondContact O-N 3.13Å
64S98.5Very high98.1Very high13 Ų1352.9 Ų52.99%0.09126%0.256CS..Hα-helixtrans-57.5-50.1176.5175.40000111.3L60 A61 R62 Y66 L67 L68 S76L60-S64 WeakPolarHBondContact O-CB 3.4Å; L60-S64 PolarHBondContact O-N 3.01Å; A61-S64 WeakPolarHBondContact O-CB 3.48Å; A61-S64 PolarHBondContact O-N 3.49Å; R62-S64 VanDerWaalsContact C-N 3.34Å; S64-Y66 VanDerWaalsContact C-N 3.26Å; S64-Y66 PolarHBondContact O-N 3.17Å; S64-L67 PolarHBondContact O-N 3.07Å; S64-L67 VanDerWaalsContact O-N 3.13Å; S64-L68 PolarHBondContact O-N 2.9Å; S64-S76 PolarHBondContact O-OG 3.01Å; S64-S76 VanDerWaalsContact O-OG 3.09Å; S64-S76 PolarHBondContact OG-O 3.31Å; S64-S76 PolarHBondContact OG-OG 2.83Å
65M98.4Very high98.2Very high22 Ų2253.8 Ų53.811%0.10826%0.261CS..Hα-helixtrans-59-38.8177.3-63.3171.1-168.200112.1I40 A43 A61 R62 L63 L68 P73 S76 V77I40-M65 HydrophobicContact CG2-CE 3.78Å; A43-M65 HydrophobicContact CB-CE 3.79Å; A61-M65 WeakPolarHBondContact O-CG 3.5Å; A61-M65 PolarHBondContact O-N 2.98Å; R62-M65 PolarHBondContact O-N 3.33Å; L63-M65 PolarHBondContact O-N 3.37Å; M65-L68 CarbonylContact O-C 3.5Å; M65-P73 HydrophobicContact CE-CB 4Å; M65-P73 HydrophobicContact CG-CB 4.29Å; M65-P73 HydrophobicContact SD-CB 3.98Å; M65-S76 WeakPolarHBondContact CA-OG 3.29Å; M65-S76 PolarHBondContact N-OG 2.83Å; M65-V77 HydrophobicContact CE-CG2 3.29Å; M65-V77 HydrophobicContact CG-CG2 4.17Å
66Y97.9Very high98.2Very high183 Ų18353.8 Ų53.872%0.71826%0.261SS*.Hα-helixtrans-67.9-37.4177.4179.9-96.3000112.8R62 L63 S64R62-Y66 PolarHBondContact O-N 3.34Å; L63-Y66 WeakPolarHBondContact O-CB 3.37Å; L63-Y66 PolarHBondContact O-N 2.9Å; S64-Y66 VanDerWaalsContact C-N 3.26Å; S64-Y66 PolarHBondContact O-N 3.17Å
67L98.4Very high98.2Very high103 Ų10353.1 Ų53.154%0.53926%0.257SS..Hα-helixtrans-77.3-23.7178.7-67.9175.7000113L63 S64 P69 W70L63-L67 HydrophobicContact CD1-CD1 4.07Å; L63-L67 HydrophobicContact CD1-CG 4.05Å; L63-L67 HydrophobicContact CG-CD1 3.94Å; L63-L67 HydrophobicContact CG-CG 4.32Å; L63-L67 VanDerWaalsContact O-CG 3.32Å; L63-L67 WeakPolarHBondContact O-CG 3.49Å; L63-L67 PolarHBondContact O-N 3.13Å; S64-L67 PolarHBondContact O-N 3.07Å; S64-L67 VanDerWaalsContact O-N 3.13Å; L67-P69 WeakPolarHBondContact O-CD 3.19Å; L67-W70 WeakPolarHBondContact O-CH2 3.4Å
68L97.8Very high98.2Very high38 Ų3853.1 Ų53.120%0.19926%0.257CS..  trans-123.455.6-176.8-56.4173.8000112.2S64 M65 W70 L71 L79S64-L68 PolarHBondContact O-N 2.9Å; M65-L68 CarbonylContact O-C 3.5Å; L68-W70 HydrophobicContact CB-CZ2 4.47Å; L68-W70 HydrophobicContact CD2-CH2 3.82Å; L68-W70 HydrophobicContact CD2-CZ2 3.35Å; L68-W70 PolarHBondContact O-N 3.4Å; L68-L71 HydrophobicContact CB-CD1 4.16Å; L68-L71 HydrophobicContact CB-CG 4.32Å; L68-L71 HydrophobicContact CD1-CD1 4.07Å; L68-L71 PolarHBondContact O-N 3.15Å; L68-L79 HydrophobicContact CD1-CD2 3.97Å
69P96.2Very high98.2Very high96 Ų9654.4 Ų54.462%0.62326%0.264SS*.THydrogen-bonded Turntrans-67.6-12.1-172.129.5-37.9000114.4L67 L71L67-P69 WeakPolarHBondContact O-CD 3.19Å; P69-L71 VanDerWaalsContact C-N 3.35Å
70W97.1Very high98.2Very high187 Ų18752 Ų5271%0.70825%0.251SS*.THydrogen-bonded Turntrans-83.6-9.4175.557.684.8000113.4L67 L68L67-W70 WeakPolarHBondContact O-CH2 3.4Å; L68-W70 HydrophobicContact CB-CZ2 4.47Å; L68-W70 HydrophobicContact CD2-CH2 3.82Å; L68-W70 HydrophobicContact CD2-CZ2 3.35Å; L68-W70 PolarHBondContact O-N 3.4Å
71L97.9Very high98.2Very high42 Ų4249.1 Ų49.122%0.2224%0.236CC..SBendtrans-96.2154.9173.1-57.4-174.6000110L68 P69 H75 L79L68-L71 HydrophobicContact CB-CD1 4.16Å; L68-L71 HydrophobicContact CB-CG 4.32Å; L68-L71 HydrophobicContact CD1-CD1 4.07Å; L68-L71 PolarHBondContact O-N 3.15Å; P69-L71 VanDerWaalsContact C-N 3.35Å; L71-H75 HydrophobicContact CB-CB 4.3Å; L71-L79 HydrophobicContact CD1-CD2 4.05Å
72S97.8Very high98.2Very high38 Ų3849.1 Ų49.127%0.26624%0.236SC..  trans-61.4153166.968.20000110R29 A74 H75 S76R29-S72 PolarHBondContact O-OG 2.89Å; S72-A74 VanDerWaalsContact C-N 3.26Å; S72-A74 PolarHBondContact O-N 3.25Å; S72-H75 PolarHBondContact O-N 3.46Å; S72-H75 VanDerWaalsContact O-N 3.15Å; S72-H75 VanDerWaalsContact OG-CB 3.3Å; S72-H75 WeakPolarHBondContact OG-CB 3.32Å; S72-H75 PolarHBondContact OG-N 3.46Å; S72-S76 PolarHBondContact O-N 3.26Å
73P98.4Very high98.3Very high31 Ų3148.3 Ų48.320%0.20124%0.239CC..Hα-helixtrans-57-39.1179-25.834.3000112.7I40 M65 S76 V77 Y432 C436I40-P73 HydrophobicContact CG2-CB 4.1Å; M65-P73 HydrophobicContact CE-CB 4Å; M65-P73 HydrophobicContact CG-CB 4.29Å; M65-P73 HydrophobicContact SD-CB 3.98Å; P73-S76 PolarHBondContact O-N 2.89Å; P73-V77 WeakPolarHBondContact O-CG2 3.48Å; P73-V77 PolarHBondContact O-N 3.35Å; P73-Y432 HydrophobicContact CB-CE2 4.17Å; P73-C436 HydrophobicContact CG-CB 4.32Å
74A98.4Very high98.3Very high0 Ų045.6 Ų45.60%022%0.224CC..Hα-helixtrans-62.2-50.2174.600000112.5V31 I40 S72 S76 V77 N78 Y432V31-A74 HydrophobicContact CB-CB 4.32Å; I40-A74 HydrophobicContact CD1-CB 3.85Å; S72-A74 VanDerWaalsContact C-N 3.26Å; S72-A74 PolarHBondContact O-N 3.25Å; A74-S76 VanDerWaalsContact C-N 3.29Å; A74-S76 PolarHBondContact O-N 2.91Å; A74-V77 PolarHBondContact O-N 3.39Å; A74-N78 WeakPolarHBondContact O-CB 3.4Å; A74-N78 PolarHBondContact O-N 3.38Å; A74-N78 PolarHBondContact O-ND2 3.31Å; A74-N78 PolarHBondContact O-OD1 3.44Å; A74-Y432 HydrophobicContact CB-CE1 4.38Å; A74-Y432 HydrophobicContact CB-CE2 4.01Å; A74-Y432 WeakPolarHBondContact CB-OH 3.41Å; A74-Y432 PolarHBondContact N-OH 3.31Å
75H98.6Very high98.3Very high37 Ų3745 Ų4517%0.17122%0.221CC..Hα-helixtrans-60.9-40.4-179.7-172.7-172.9000111.7R29 L71 S72 V77 N78 L79R29-H75 WeakPolarHBondContact O-CB 3.36Å; L71-H75 HydrophobicContact CB-CB 4.3Å; S72-H75 PolarHBondContact O-N 3.46Å; S72-H75 VanDerWaalsContact O-N 3.15Å; S72-H75 VanDerWaalsContact OG-CB 3.3Å; S72-H75 WeakPolarHBondContact OG-CB 3.32Å; S72-H75 PolarHBondContact OG-N 3.46Å; H75-V77 PolarHBondContact O-N 2.87Å; H75-N78 PolarHBondContact O-N 3.4Å; H75-L79 VanDerWaalsContact O-CB 3.25Å; H75-L79 WeakPolarHBondContact O-CB 3.42Å; H75-L79 PolarHBondContact O-N 3.01Å
76S98.6Very high98.3Very high1 Ų144 Ų441%0.00722%0.216CC..Hα-helixtrans-57.8-49.4177.4-171.10000112S64 M65 S72 P73 A74 L79 M80S64-S76 PolarHBondContact O-OG 3.01Å; S64-S76 VanDerWaalsContact O-OG 3.09Å; S64-S76 PolarHBondContact OG-O 3.31Å; S64-S76 PolarHBondContact OG-OG 2.83Å; M65-S76 WeakPolarHBondContact CA-OG 3.29Å; M65-S76 PolarHBondContact N-OG 2.83Å; S72-S76 PolarHBondContact O-N 3.26Å; P73-S76 PolarHBondContact O-N 2.89Å; A74-S76 VanDerWaalsContact C-N 3.29Å; A74-S76 PolarHBondContact O-N 2.91Å; S76-L79 PolarHBondContact O-N 3.03Å; S76-M80 PolarHBondContact O-N 3.5Å
77V98.7Very high98.3Very high0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-72.8-39.6-177.6-176.70000111.5I40 F57 A61 M65 P73 A74 H75 L79 M80 C81 A126I40-V77 HydrophobicContact CG1-CB 4.35Å; I40-V77 HydrophobicContact CG1-CG1 4.49Å; F57-V77 HydrophobicContact CE1-CG1 4.36Å; F57-V77 HydrophobicContact CZ-CG1 4.03Å; A61-V77 HydrophobicContact CB-CG1 3.97Å; A61-V77 HydrophobicContact CB-CG2 3.83Å; M65-V77 HydrophobicContact CE-CG2 3.29Å; M65-V77 HydrophobicContact CG-CG2 4.17Å; P73-V77 WeakPolarHBondContact O-CG2 3.48Å; P73-V77 PolarHBondContact O-N 3.35Å; A74-V77 PolarHBondContact O-N 3.39Å; H75-V77 PolarHBondContact O-N 2.87Å; V77-L79 VanDerWaalsContact C-N 3.3Å; V77-L79 PolarHBondContact O-N 2.79Å; V77-M80 HydrophobicContact CG1-CE 3.96Å; V77-M80 WeakPolarHBondContact O-CB 3.43Å; V77-M80 PolarHBondContact O-N 3.16Å; V77-C81 PolarHBondContact O-N 3.45Å; V77-A126 HydrophobicContact CB-CB 4.04Å; V77-A126 HydrophobicContact CG1-CB 3.5Å
78N98.7Very high98.3Very high0 Ų031.9 Ų31.90%017%0.169CC..Hα-helixtrans-60.3-41.4174.7-65.3-14.6000110.9V27 Q28 T30 A74 H75 C81 S82 A126V27-N78 HydrophobicContact CG1-CB 3.65Å; Q28-N78 WeakPolarHBondContact O-CB 3.23Å; Q28-N78 PolarHBondContact O-ND2 3.3Å; T30-N78 PolarHBondContact O-ND2 2.86Å; T30-N78 VanDerWaalsContact O-ND2 3.14Å; A74-N78 WeakPolarHBondContact O-CB 3.4Å; A74-N78 PolarHBondContact O-N 3.38Å; A74-N78 PolarHBondContact O-ND2 3.31Å; A74-N78 PolarHBondContact O-OD1 3.44Å; H75-N78 PolarHBondContact O-N 3.4Å; N78-C81 WeakPolarHBondContact O-CB 3.49Å; N78-C81 PolarHBondContact O-N 3.3Å; N78-S82 PolarHBondContact O-N 3.41Å; N78-A126 WeakPolarHBondContact OD1-CA 3.36Å; N78-A126 WeakPolarHBondContact OD1-CB 2.94Å; N78-A126 PolarHBondContact OD1-N 2.84Å
79L98.8Very high98.4Very high28 Ų2830.1 Ų30.115%0.14716%0.159CC..Hα-helixtrans-64.3-42.8174.5-179.463.3000111.6V24 V27 L68 L71 H75 S76 V77 C81 S82 L83V24-L79 HydrophobicContact CB-CD1 4.29Å; V24-L79 HydrophobicContact CG1-CD1 3.84Å; V24-L79 HydrophobicContact CG2-CD1 3.79Å; V27-L79 HydrophobicContact CG1-CB 4.47Å; V27-L79 HydrophobicContact CG2-CD1 4.49Å; L68-L79 HydrophobicContact CD1-CD2 3.97Å; L71-L79 HydrophobicContact CD1-CD2 4.05Å; H75-L79 VanDerWaalsContact O-CB 3.25Å; H75-L79 WeakPolarHBondContact O-CB 3.42Å; H75-L79 PolarHBondContact O-N 3.01Å; S76-L79 PolarHBondContact O-N 3.03Å; V77-L79 VanDerWaalsContact C-N 3.3Å; V77-L79 PolarHBondContact O-N 2.79Å; L79-C81 VanDerWaalsContact C-N 3.33Å; L79-C81 PolarHBondContact O-N 2.96Å; L79-S82 PolarHBondContact O-N 3.38Å; L79-S82 PolarHBondContact O-OG 3.46Å; L79-L83 WeakPolarHBondContact O-CG 3.07Å; L79-L83 PolarHBondContact O-N 3.03Å; L79-L83 VanDerWaalsContact O-N 3.12Å
80M98.7Very high98.5Very high22 Ų2225.6 Ų25.611%0.10813%0.13CC..Hα-helixtrans-55.5-48.2173.2178.2-166.174.300111.2F57 L60 A61 S76 V77 S82 L83 L84F57-M80 HydrophobicContact CD2-CE 4.36Å; F57-M80 HydrophobicContact CE2-CE 3.92Å; F57-M80 HydrophobicContact CZ-CE 4.2Å; L60-M80 VanDerWaalsContact C-SD 3.52Å; L60-M80 HydrophobicContact CB-SD 3.83Å; A61-M80 HydrophobicContact CB-CE 4.21Å; S76-M80 PolarHBondContact O-N 3.5Å; V77-M80 HydrophobicContact CG1-CE 3.96Å; V77-M80 WeakPolarHBondContact O-CB 3.43Å; V77-M80 PolarHBondContact O-N 3.16Å; M80-S82 VanDerWaalsContact C-N 3.32Å; M80-S82 PolarHBondContact O-N 2.95Å; M80-L83 PolarHBondContact O-N 2.82Å; M80-L84 HydrophobicContact CE-CD1 4.24Å; M80-L84 HydrophobicContact CG-CD1 3.91Å; M80-L84 HydrophobicContact CG-CG 4.37Å; M80-L84 VanDerWaalsContact O-CG 3.29Å; M80-L84 WeakPolarHBondContact O-CG 3.44Å; M80-L84 PolarHBondContact O-N 3.02Å; M80-L84 HydrophobicContact SD-CD1 4.42Å
81C98.7Very high98.6Very high0 Ų017.6 Ų17.60%010%0.103CC..Hα-helixtrans-56.3-46176-71.80000111.4V77 N78 L79 L83 L84 G85 S123 V125 T130V77-C81 PolarHBondContact O-N 3.45Å; N78-C81 WeakPolarHBondContact O-CB 3.49Å; N78-C81 PolarHBondContact O-N 3.3Å; L79-C81 VanDerWaalsContact C-N 3.33Å; L79-C81 PolarHBondContact O-N 2.96Å; C81-L83 VanDerWaalsContact C-N 3.3Å; C81-L83 PolarHBondContact O-N 3.49Å; C81-L84 PolarHBondContact O-N 3.45Å; C81-L84 VanDerWaalsContact O-N 3.14Å; C81-G85 PolarHBondContact O-N 2.77Å; C81-S123 CarbonylContact C-O 3.43Å; C81-V125 VanDerWaalsContact CB-O 3.29Å; C81-V125 WeakPolarHBondContact CB-O 3.44Å; C81-V125 PolarHBondContact SG-O 3.35Å; C81-T130 WeakPolarHBondContact O-CG2 3.42Å
82S98.6Very high98.6Very high0 Ų015.6 Ų15.60%09%0.092CC..Hα-helixtrans-59-39.9179.780.40000113.3Y23 V27 N78 L79 M80 G85 A86 S123Y23-S82 WeakPolarHBondContact CD2-O 3.21Å; V27-S82 VanDerWaalsContact CG2-CB 3.41Å; V27-S82 WeakPolarHBondContact CG2-OG 3.14Å; N78-S82 PolarHBondContact O-N 3.41Å; L79-S82 PolarHBondContact O-N 3.38Å; L79-S82 PolarHBondContact O-OG 3.46Å; M80-S82 VanDerWaalsContact C-N 3.32Å; M80-S82 PolarHBondContact O-N 2.95Å; S82-G85 PolarHBondContact O-N 3.45Å; S82-A86 PolarHBondContact O-N 3Å; S82-S123 WeakPolarHBondContact CA-O 3.48Å; S82-S123 WeakPolarHBondContact CB-O 3.17Å; S82-S123 PolarHBondContact N-O 2.96Å
83L98.8Very high98.7Very high87 Ų8713.8 Ų13.846%0.4558%0.08SC..Hα-helixtrans-71.5-38.6177.8-63.9175.3000111.7A20 V24 L79 M80 C81 G85 A86 A87A20-L83 HydrophobicContact CB-CD2 4.32Å; V24-L83 HydrophobicContact CG2-CD2 4.03Å; L79-L83 WeakPolarHBondContact O-CG 3.07Å; L79-L83 PolarHBondContact O-N 3.03Å; L79-L83 VanDerWaalsContact O-N 3.12Å; M80-L83 PolarHBondContact O-N 2.82Å; C81-L83 VanDerWaalsContact C-N 3.3Å; C81-L83 PolarHBondContact O-N 3.49Å; L83-G85 VanDerWaalsContact C-N 3.32Å; L83-A86 PolarHBondContact O-N 3.35Å; L83-A87 WeakPolarHBondContact O-CB 3.33Å; L83-A87 PolarHBondContact O-N 3.28Å
84L98.8Very high98.6Very high29 Ų2913 Ų1315%0.1527%0.073CC..Hα-helixtrans-64.2-37.9173.6-67.6171.8000111.4M80 C81 A87 A88 T130 L131 L134M80-L84 HydrophobicContact CE-CD1 4.24Å; M80-L84 HydrophobicContact CG-CD1 3.91Å; M80-L84 HydrophobicContact CG-CG 4.37Å; M80-L84 VanDerWaalsContact O-CG 3.29Å; M80-L84 WeakPolarHBondContact O-CG 3.44Å; M80-L84 PolarHBondContact O-N 3.02Å; M80-L84 HydrophobicContact SD-CD1 4.42Å; C81-L84 PolarHBondContact O-N 3.45Å; C81-L84 VanDerWaalsContact O-N 3.14Å; L84-A87 WeakPolarHBondContact O-CB 3.48Å; L84-A87 PolarHBondContact O-N 3.27Å; L84-A88 PolarHBondContact O-N 2.94Å; L84-T130 HydrophobicContact CB-CG2 4.06Å; L84-L131 HydrophobicContact CD1-CB 4.24Å; L84-L131 HydrophobicContact CD1-CD1 4.19Å; L84-L131 HydrophobicContact CD2-CD1 4.35Å; L84-L134 HydrophobicContact CD2-CD2 3.62Å
85G98.5Very high98.6Very high2 Ų213 Ų132%0.0217%0.073CC..Hα-helixtrans-64.6-44.4175.500000112C81 S82 L83 A87 A88 C89C81-G85 PolarHBondContact O-N 2.77Å; S82-G85 PolarHBondContact O-N 3.45Å; L83-G85 VanDerWaalsContact C-N 3.32Å; G85-A87 VanDerWaalsContact C-N 3.32Å; G85-A87 PolarHBondContact O-N 3.25Å; G85-A88 WeakPolarHBondContact O-CB 3.38Å; G85-A88 PolarHBondContact O-N 3.34Å; G85-C89 PolarHBondContact O-N 2.99Å; G85-C89 VanDerWaalsContact O-N 3.09Å; G85-C89 PolarHBondContact O-SG 3.01Å
86A98.8Very high98.5Very high1 Ų111.2 Ų11.21%0.0087%0.065CC..Hα-helixtrans-60.1-42.2172.600000112V16 V19 A20 S82 L83 C89 G90V16-A86 HydrophobicContact CG1-CB 4.34Å; V19-A86 HydrophobicContact CB-CB 4.05Å; V19-A86 HydrophobicContact CG1-CB 3.82Å; A20-A86 HydrophobicContact CB-CB 4.04Å; S82-A86 PolarHBondContact O-N 3Å; L83-A86 PolarHBondContact O-N 3.35Å; A86-C89 PolarHBondContact O-N 3.46Å; A86-G90 PolarHBondContact O-N 2.92Å
87A98.8Very high98.4Very high31 Ų3111.7 Ų11.726%0.2567%0.069SC..Hα-helixtrans-62.9-41.1175.700000112.4L83 L84 G85 C89 G90 C91 L134L83-A87 WeakPolarHBondContact O-CB 3.33Å; L83-A87 PolarHBondContact O-N 3.28Å; L84-A87 WeakPolarHBondContact O-CB 3.48Å; L84-A87 PolarHBondContact O-N 3.27Å; G85-A87 VanDerWaalsContact C-N 3.32Å; G85-A87 PolarHBondContact O-N 3.25Å; A87-C89 PolarHBondContact O-N 3.21Å; A87-G90 WeakPolarHBondContact O-CA 3.33Å; A87-G90 PolarHBondContact O-N 3.35Å; A87-G90 VanDerWaalsContact O-N 3.13Å; A87-C91 PolarHBondContact O-N 3.2Å; A87-C91 PolarHBondContact O-SG 2.95Å; A87-L134 HydrophobicContact CB-CD1 3.86Å
88A98.7Very high98.2Very high0 Ų015.3 Ų15.30%08%0.082CC..Hα-helixtrans-59.7-45.6175.800000111.7L84 G85 G90 C91 F92 N133 L134L84-A88 PolarHBondContact O-N 2.94Å; G85-A88 WeakPolarHBondContact O-CB 3.38Å; G85-A88 PolarHBondContact O-N 3.34Å; A88-G90 VanDerWaalsContact C-N 3.26Å; A88-G90 PolarHBondContact O-N 3.38Å; A88-C91 WeakPolarHBondContact O-CA 3.29Å; A88-C91 WeakPolarHBondContact O-CB 3.34Å; A88-C91 PolarHBondContact O-N 2.84Å; A88-F92 HydrophobicContact CB-CE2 4.4Å; A88-F92 VanDerWaalsContact O-CD2 3.32Å; A88-F92 WeakPolarHBondContact O-CD2 3.41Å; A88-F92 PolarHBondContact O-N 2.94Å; A88-N133 HydrophobicContact CB-CB 4.1Å; A88-L134 HydrophobicContact CB-CB 4.2Å
89C98.8Very high97.9Very high0 Ų016.1 Ų16.10%09%0.087CC..Hα-helixtrans-59.9-37.9174.6-60.60000112V19 G85 A86 A87 F92 T93 G110 A114V19-C89 HydrophobicContact CG2-CB 4.34Å; G85-C89 PolarHBondContact O-N 2.99Å; G85-C89 VanDerWaalsContact O-N 3.09Å; G85-C89 PolarHBondContact O-SG 3.01Å; A86-C89 PolarHBondContact O-N 3.46Å; A87-C89 PolarHBondContact O-N 3.21Å; C89-F92 PolarHBondContact O-N 3.2Å; C89-T93 PolarHBondContact O-N 2.99Å; C89-T93 PolarHBondContact O-OG1 3.28Å; C89-G110 WeakPolarHBondContact CB-O 3.37Å; C89-G110 VanDerWaalsContact O-CA 3.28Å; C89-G110 WeakPolarHBondContact O-CA 3.29Å; C89-A114 HydrophobicContact CB-CB 4.3Å
90G98.6Very high97.6Very high1 Ų117.1 Ų17.11%0.019%0.094CC..Hα-helixtrans-59.1-44.5170.500000113T12 A86 A87 A88 F92 T93 L94T12-G90 VanDerWaalsContact CG2-O 3.31Å; T12-G90 WeakPolarHBondContact CG2-O 3.39Å; A86-G90 PolarHBondContact O-N 2.92Å; A87-G90 WeakPolarHBondContact O-CA 3.33Å; A87-G90 PolarHBondContact O-N 3.35Å; A87-G90 VanDerWaalsContact O-N 3.13Å; A88-G90 VanDerWaalsContact C-N 3.26Å; A88-G90 PolarHBondContact O-N 3.38Å; G90-F92 PolarHBondContact O-N 3.31Å; G90-T93 WeakPolarHBondContact O-CB 3.24Å; G90-T93 PolarHBondContact O-N 2.97Å; G90-L94 WeakPolarHBondContact O-CB 3.4Å; G90-L94 PolarHBondContact O-N 3.5Å
91C98.6Very high97.3Very high20 Ų2017.1 Ų17.114%0.13510%0.1CC..Hα-helixtrans-64.2-37.9177.2-67.70000112.8A87 A88 L94 T95 G137A87-C91 PolarHBondContact O-N 3.2Å; A87-C91 PolarHBondContact O-SG 2.95Å; A88-C91 WeakPolarHBondContact O-CA 3.29Å; A88-C91 WeakPolarHBondContact O-CB 3.34Å; A88-C91 PolarHBondContact O-N 2.84Å; C91-L94 PolarHBondContact O-N 3.1Å; C91-T95 WeakPolarHBondContact O-CB 3.43Å; C91-T95 PolarHBondContact O-N 3.42Å; C91-T95 PolarHBondContact O-OG1 3.5Å; C91-G137 VanDerWaalsContact CB-C 3.41Å
92F98.7Very high97.1Very high0 Ų019.4 Ų19.40%011%0.114CC..Hα-helixtrans-65.5-42.9173.9-58.3-41.1000111.8A88 C89 G90 L94 T95 V96 F113 I136 F140 A344 V348A88-F92 HydrophobicContact CB-CE2 4.4Å; A88-F92 VanDerWaalsContact O-CD2 3.32Å; A88-F92 WeakPolarHBondContact O-CD2 3.41Å; A88-F92 PolarHBondContact O-N 2.94Å; C89-F92 PolarHBondContact O-N 3.2Å; G90-F92 PolarHBondContact O-N 3.31Å; F92-L94 VanDerWaalsContact C-N 3.32Å; F92-L94 PolarHBondContact O-N 2.93Å; F92-T95 WeakPolarHBondContact O-CB 3.42Å; F92-T95 PolarHBondContact O-N 3.06Å; F92-V96 PolarHBondContact O-N 2.73Å; F92-F113 HydrophobicContact CD2-CB 4.12Å; F92-F113 AromaticContact CD2-CD1 3.94Å; F92-F113 HydrophobicContact CD2-CD1 3.94Å; F92-F113 HydrophobicContact CD2-CG 4.01Å; F92-F113 HydrophobicContact CE2-CB 4.39Å; F92-F113 AromaticContact CE2-CD1 3.46Å; F92-F113 HydrophobicContact CE2-CD1 3.46Å; F92-F113 VanDerWaalsContact CE2-CD1 3.46Å; F92-F113 HydrophobicContact CE2-CD2 4.27Å; F92-F113 AromaticContact CE2-CE1 3.69Å; F92-F113 HydrophobicContact CE2-CE1 3.69Å; F92-F113 HydrophobicContact CE2-CE2 4.47Å; F92-F113 AromaticContact CE2-CG 3.77Å; F92-F113 HydrophobicContact CE2-CG 3.77Å; F92-F113 HydrophobicContact CE2-CZ 4.2Å; F92-F113 HydrophobicContact CZ-CE1 4.49Å; F92-I136 HydrophobicContact CE1-CG2 4.27Å; F92-F140 AromaticContact CD1-CD2 3.96Å; F92-F140 HydrophobicContact CD1-CD2 3.96Å; F92-F140 AromaticContact CE1-CD2 3.87Å; F92-F140 HydrophobicContact CE1-CD2 3.87Å; F92-F140 HydrophobicContact CE1-CE2 4.21Å; F92-A344 HydrophobicContact CE1-CB 3.91Å; F92-A344 HydrophobicContact CE2-CB 4.12Å; F92-A344 HydrophobicContact CZ-CB 3.56Å; F92-V348 HydrophobicContact CB-CG2 3.96Å; F92-V348 HydrophobicContact CD1-CG2 3.91Å; F92-V348 HydrophobicContact CG-CG2 4.18Å
93T98.6Very high96.9Very high0 Ų019.6 Ų19.60%012%0.116CC..Hα-helixtrans-57.1-48171.6-52.40000110.6L11 T15 C89 G90 T95 V96 C97 A106 G110L11-T93 HydrophobicContact CG-CG2 4.4Å; T15-T93 WeakPolarHBondContact CG2-OG1 3.31Å; C89-T93 PolarHBondContact O-N 2.99Å; C89-T93 PolarHBondContact O-OG1 3.28Å; G90-T93 WeakPolarHBondContact O-CB 3.24Å; G90-T93 PolarHBondContact O-N 2.97Å; T93-T95 VanDerWaalsContact C-N 3.3Å; T93-T95 PolarHBondContact O-N 3.27Å; T93-V96 PolarHBondContact O-N 3.09Å; T93-C97 WeakPolarHBondContact O-CB 3.5Å; T93-C97 PolarHBondContact O-N 2.95Å; T93-C97 PolarHBondContact O-SG 3.13Å; T93-C97 VanDerWaalsContact O-SG 3.41Å; T93-A106 WeakPolarHBondContact CA-O 3.41Å; T93-A106 HydrophobicContact CG2-CB 4.08Å; T93-A106 WeakPolarHBondContact CG2-O 3.44Å; T93-G110 WeakPolarHBondContact OG1-CA 3.34Å
94L97.7Very high96.8Very high13 Ų1315.5 Ų15.57%0.06810%0.095CC..Hα-helixtrans-65-34.7-177.7-168.963.4000112.2W9 T12 G90 C91 F92 C97 R98 F141W9-L94 HydrophobicContact CD2-CD1 4.26Å; W9-L94 HydrophobicContact CE3-CD1 4.12Å; W9-L94 HydrophobicContact CE3-CD2 4.13Å; W9-L94 HydrophobicContact CH2-CD2 3.6Å; W9-L94 HydrophobicContact CZ2-CD2 4.31Å; W9-L94 HydrophobicContact CZ3-CD1 4.31Å; W9-L94 HydrophobicContact CZ3-CD2 3.49Å; W9-L94 VanDerWaalsContact CZ3-CD2 3.49Å; T12-L94 HydrophobicContact CG2-CB 4.15Å; T12-L94 WeakPolarHBondContact OG1-CA 3.12Å; T12-L94 WeakPolarHBondContact OG1-CB 3.14Å; T12-L94 WeakPolarHBondContact OG1-CD1 3.45Å; G90-L94 WeakPolarHBondContact O-CB 3.4Å; G90-L94 PolarHBondContact O-N 3.5Å; C91-L94 PolarHBondContact O-N 3.1Å; F92-L94 VanDerWaalsContact C-N 3.32Å; F92-L94 PolarHBondContact O-N 2.93Å; L94-C97 WeakPolarHBondContact O-CB 3.5Å; L94-C97 PolarHBondContact O-N 3.38Å; L94-R98 WeakPolarHBondContact O-CB 3.45Å; L94-R98 PolarHBondContact O-N 3.49Å; L94-F141 HydrophobicContact CB-CD2 4.23Å; L94-F141 HydrophobicContact CD1-CE2 4.36Å; L94-F141 HydrophobicContact CD2-CD1 4.2Å; L94-F141 HydrophobicContact CD2-CD2 3.59Å; L94-F141 HydrophobicContact CD2-CE1 4.1Å; L94-F141 HydrophobicContact CD2-CE2 3.47Å; L94-F141 VanDerWaalsContact CD2-CE2 3.47Å; L94-F141 HydrophobicContact CD2-CG 3.95Å; L94-F141 HydrophobicContact CD2-CZ 3.74Å; L94-F141 HydrophobicContact CG-CD2 3.54Å; L94-F141 HydrophobicContact CG-CE2 3.53Å; L94-F141 HydrophobicContact CG-CG 4.31Å; L94-F141 HydrophobicContact CG-CZ 4.29Å
95T97.5Very high96.7Very high0 Ų014.1 Ų14.10%09%0.088CC..Hα-helixtrans-59.3-50.6175-60.40000110.8C91 F92 T93 R98 L99 F140 F141 A144 V348C91-T95 WeakPolarHBondContact O-CB 3.43Å; C91-T95 PolarHBondContact O-N 3.42Å; C91-T95 PolarHBondContact O-OG1 3.5Å; F92-T95 WeakPolarHBondContact O-CB 3.42Å; F92-T95 PolarHBondContact O-N 3.06Å; T93-T95 VanDerWaalsContact C-N 3.3Å; T93-T95 PolarHBondContact O-N 3.27Å; T95-R98 WeakPolarHBondContact O-CB 3.33Å; T95-R98 PolarHBondContact O-N 3.42Å; T95-L99 HydrophobicContact CG2-CD1 4.39Å; T95-L99 PolarHBondContact O-N 3.31Å; T95-F140 HydrophobicContact CG2-CB 4.01Å; T95-F141 WeakPolarHBondContact OG1-CA 3.36Å; T95-F141 PolarHBondContact OG1-N 2.6Å; T95-F141 VanDerWaalsContact OG1-N 3.13Å; T95-A144 HydrophobicContact CG2-CB 4.05Å; T95-V348 HydrophobicContact CG2-CG1 4.09Å
96V96.6Very high96.6Very high0 Ų014 Ų140%09%0.087CC..Hα-helixtrans-68.6-38.5178.9177.60000111.5F92 T93 R98 L99 T100 A106 A109 V348 L352F92-V96 PolarHBondContact O-N 2.73Å; T93-V96 PolarHBondContact O-N 3.09Å; V96-R98 VanDerWaalsContact C-N 3.25Å; V96-R98 PolarHBondContact O-N 2.83Å; V96-L99 PolarHBondContact O-N 3.5Å; V96-T100 WeakPolarHBondContact CG1-OG1 3.45Å; V96-T100 PolarHBondContact O-N 2.84Å; V96-T100 PolarHBondContact O-OG1 2.97Å; V96-A106 HydrophobicContact CB-CB 4.02Å; V96-A106 HydrophobicContact CG1-CB 3.91Å; V96-A109 HydrophobicContact CG2-CB 3.61Å; V96-V348 HydrophobicContact CG2-CG1 4.04Å; V96-L352 HydrophobicContact CG1-CD2 4.19Å; V96-L352 HydrophobicContact CG2-CD2 4.37Å; V96-L352 HydrophobicContact CG2-CG 4.32Å
97C96.2Very high96.6Very high12 Ų1215 Ų158%0.0819%0.092CC..Hα-helixtrans-56.1-40.7171.1-78.30000111.9T93 L94 L99 G101 A106T93-C97 WeakPolarHBondContact O-CB 3.5Å; T93-C97 PolarHBondContact O-N 2.95Å; T93-C97 PolarHBondContact O-SG 3.13Å; T93-C97 VanDerWaalsContact O-SG 3.41Å; L94-C97 WeakPolarHBondContact O-CB 3.5Å; L94-C97 PolarHBondContact O-N 3.38Å; C97-L99 VanDerWaalsContact C-N 3.35Å; C97-G101 WeakPolarHBondContact O-CA 3.49Å; C97-G101 PolarHBondContact O-N 3.07Å; C97-A106 WeakPolarHBondContact SG-CB 3.4Å
98R94.5Very high96.6Very high75 Ų7513.5 Ų13.528%0.2838%0.08SC..Hα-helixtrans-68.5-34.9-178.4-174.759.7178.6128.32.8112.5L94 T95 V96 F141 A144 C148L94-R98 WeakPolarHBondContact O-CB 3.45Å; L94-R98 PolarHBondContact O-N 3.49Å; T95-R98 WeakPolarHBondContact O-CB 3.33Å; T95-R98 PolarHBondContact O-N 3.42Å; V96-R98 VanDerWaalsContact C-N 3.25Å; V96-R98 PolarHBondContact O-N 2.83Å; R98-F141 HydrophobicContact CB-CD2 4.5Å; R98-F141 HydrophobicContact CB-CE2 4.41Å; R98-A144 HydrophobicContact CB-CB 4.31Å; R98-A144 HydrophobicContact CG-CB 4.21Å; R98-C148 PolarHBondContact NH2-O 2.71Å
99L93.1Very high96.5Very high18 Ų1813.5 Ų13.59%0.0948%0.08CC..Hα-helixtrans-85-42.5-177.5-68.7172.1000113.1T95 V96 C97 A144 V303 L352T95-L99 HydrophobicContact CG2-CD1 4.39Å; T95-L99 PolarHBondContact O-N 3.31Å; V96-L99 PolarHBondContact O-N 3.5Å; C97-L99 VanDerWaalsContact C-N 3.35Å; L99-A144 HydrophobicContact CD1-CB 4.17Å; L99-A144 HydrophobicContact CD2-CB 3.84Å; L99-A144 HydrophobicContact CG-CB 3.8Å; L99-V303 HydrophobicContact CD1-CB 4.35Å; L99-V303 HydrophobicContact CD1-CG1 3.94Å; L99-V303 HydrophobicContact CD2-CB 4.28Å; L99-V303 HydrophobicContact CD2-CG1 4.47Å; L99-V303 HydrophobicContact CD2-CG2 4.11Å; L99-L352 HydrophobicContact CB-CD2 3.93Å; L99-L352 HydrophobicContact CD1-CD1 4.01Å; L99-L352 HydrophobicContact CD1-CD2 3.8Å; L99-L352 HydrophobicContact CD1-CG 4.49Å
100T92.3Very high96.5Very high49 Ų4913.5 Ų13.530%0.3018%0.08SC..Hα-helixtrans-123.9-1.3-16961.40000114.4V96 L352 S355V96-T100 WeakPolarHBondContact CG1-OG1 3.45Å; V96-T100 PolarHBondContact O-N 2.84Å; V96-T100 PolarHBondContact O-OG1 2.97Å; T100-L352 HydrophobicContact CG2-CD2 3.66Å; T100-S355 WeakPolarHBondContact OG1-CB 3.19Å; T100-S355 PolarHBondContact OG1-OG 3.43Å; T100-S355 VanDerWaalsContact OG1-OG 3.06Å
101G91.9Very high96.5Very high22 Ų2213.7 Ų13.723%0.2278%0.082CC..  trans86.3168.3-175.200000113.8C97C97-G101 WeakPolarHBondContact O-CA 3.49Å; C97-G101 PolarHBondContact O-N 3.07Å
102P94.5Very high96.5Very high48 Ų4812.8 Ų12.831%0.3128%0.076SC..SBendtrans-69.7132179.728.4-33.7000111.7L11L11-P102 HydrophobicContact CD2-CB 3.92Å
103G94.7Very high96.5Very high4 Ų412.9 Ų12.94%0.0418%0.076CC..SBendtrans177.2-173.5-178.200000114.3G105 A106 V107G103-G105 VanDerWaalsContact C-N 3.31Å; G103-G105 PolarHBondContact O-N 3.27Å; G103-A106 WeakPolarHBondContact O-CB 3.4Å; G103-A106 PolarHBondContact O-N 3.35Å; G103-A106 VanDerWaalsContact O-N 3.1Å; G103-V107 PolarHBondContact O-N 3.47Å
104P96.4Very high96.5Very high1 Ų113 Ų131%0.0068%0.078CC..Hα-helixtrans-62.5-35.8-176.624-33000112.7A106 V107 L108 L354 G375 W376 T379P104-A106 VanDerWaalsContact C-N 3.27Å; P104-A106 PolarHBondContact O-N 3.03Å; P104-V107 PolarHBondContact O-N 2.97Å; P104-L108 VanDerWaalsContact O-CB 3.26Å; P104-L108 WeakPolarHBondContact O-CB 3.47Å; P104-L108 PolarHBondContact O-N 3.34Å; P104-L354 HydrophobicContact CB-CD2 4.23Å; P104-G375 VanDerWaalsContact CB-C 3.49Å; P104-W376 HydrophobicContact CB-CD2 3.79Å; P104-W376 HydrophobicContact CB-CE3 4Å; P104-W376 HydrophobicContact CB-CG 4.06Å; P104-W376 HydrophobicContact CB-CZ3 4.49Å; P104-W376 HydrophobicContact CG-CD2 4.45Å; P104-W376 HydrophobicContact CG-CG 4.46Å; P104-T379 PolarHBondContact O-OG1 3.16Å
105G96.7Very high96.5Very high0 Ų013.3 Ų13.30%08%0.08CC..Hα-helixtrans-61.5-33.5174.800000113.5G103 L108 A109 G351G103-G105 VanDerWaalsContact C-N 3.31Å; G103-G105 PolarHBondContact O-N 3.27Å; G105-L108 PolarHBondContact O-N 2.85Å; G105-A109 PolarHBondContact O-N 3.12Å; G105-A109 VanDerWaalsContact O-N 3.1Å; G105-G351 VanDerWaalsContact CA-O 3.32Å; G105-G351 WeakPolarHBondContact CA-O 3.48Å; G105-G351 WeakPolarHBondContact O-CA 3.43Å
106A97.4Very high96.5Very high0 Ų013.3 Ų13.30%08%0.08CC..Hα-helixtrans-71.7-45.2177.300000112.2L11 T93 V96 C97 G103 P104 L108 A109 G110L11-A106 HydrophobicContact CD2-CB 4.25Å; T93-A106 WeakPolarHBondContact CA-O 3.41Å; T93-A106 HydrophobicContact CG2-CB 4.08Å; T93-A106 WeakPolarHBondContact CG2-O 3.44Å; V96-A106 HydrophobicContact CB-CB 4.02Å; V96-A106 HydrophobicContact CG1-CB 3.91Å; C97-A106 WeakPolarHBondContact SG-CB 3.4Å; G103-A106 WeakPolarHBondContact O-CB 3.4Å; G103-A106 PolarHBondContact O-N 3.35Å; G103-A106 VanDerWaalsContact O-N 3.1Å; P104-A106 VanDerWaalsContact C-N 3.27Å; P104-A106 PolarHBondContact O-N 3.03Å; A106-L108 VanDerWaalsContact C-N 3.27Å; A106-L108 PolarHBondContact O-N 3.47Å; A106-A109 PolarHBondContact O-N 3.13Å; A106-G110 PolarHBondContact O-N 3.03Å
107V98.2Very high96.5Very high20 Ų2015.5 Ų15.512%0.1219%0.088CC..Hα-helixtrans-64.3-36.2173.3175.60000111L11 G103 P104 A109 G111 W376 T379 L383L11-V107 HydrophobicContact CD1-CG2 3.58Å; L11-V107 HydrophobicContact CD2-CG2 3.98Å; L11-V107 HydrophobicContact CG-CG2 3.89Å; G103-V107 PolarHBondContact O-N 3.47Å; P104-V107 PolarHBondContact O-N 2.97Å; V107-A109 PolarHBondContact O-N 3.44Å; V107-G111 VanDerWaalsContact O-CA 3.32Å; V107-G111 WeakPolarHBondContact O-CA 3.25Å; V107-G111 PolarHBondContact O-N 2.93Å; V107-W376 HydrophobicContact CB-CH2 4.18Å; V107-W376 HydrophobicContact CB-CZ3 3.86Å; V107-W376 HydrophobicContact CG1-CZ3 4.26Å; V107-W376 HydrophobicContact CG2-CH2 3.51Å; V107-W376 HydrophobicContact CG2-CZ3 3.62Å; V107-T379 HydrophobicContact CB-CG2 4.33Å; V107-T379 HydrophobicContact CG1-CG2 4.11Å; V107-L383 HydrophobicContact CG1-CD1 4.13Å
108L98.3Very high96.5Very high0 Ų015 Ų150%09%0.085CC..Hα-helixtrans-59.8-46.5176.4-174.172.8000111.2P104 G105 A106 G111 L112 L286 L354 T379 L382P104-L108 VanDerWaalsContact O-CB 3.26Å; P104-L108 WeakPolarHBondContact O-CB 3.47Å; P104-L108 PolarHBondContact O-N 3.34Å; G105-L108 PolarHBondContact O-N 2.85Å; A106-L108 VanDerWaalsContact C-N 3.27Å; A106-L108 PolarHBondContact O-N 3.47Å; L108-G111 PolarHBondContact O-N 3.5Å; L108-L112 HydrophobicContact CD1-CD1 3.77Å; L108-L112 HydrophobicContact CD1-CD2 4.03Å; L108-L112 HydrophobicContact CD1-CG 3.66Å; L108-L112 HydrophobicContact CD2-CD1 4.12Å; L108-L112 HydrophobicContact CG-CD1 3.57Å; L108-L112 HydrophobicContact CG-CG 3.88Å; L108-L112 WeakPolarHBondContact O-CB 3.47Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.25Å; L108-L286 HydrophobicContact CD2-CD1 3.88Å; L108-L354 HydrophobicContact CB-CD2 4.31Å; L108-L354 HydrophobicContact CD2-CB 4.03Å; L108-L354 HydrophobicContact CD2-CD2 3.74Å; L108-T379 HydrophobicContact CB-CG2 3.95Å; L108-T379 HydrophobicContact CD1-CG2 4.07Å; L108-L382 HydrophobicContact CD1-CD2 4.15Å
109A98.3Very high96.6Very high0 Ų011.5 Ų11.50%07%0.072CC..Hα-helixtrans-60.1-50-178.700000113.3V96 G105 A106 V107 C347 V348V96-A109 HydrophobicContact CG2-CB 3.61Å; G105-A109 PolarHBondContact O-N 3.12Å; G105-A109 VanDerWaalsContact O-N 3.1Å; A106-A109 PolarHBondContact O-N 3.13Å; V107-A109 PolarHBondContact O-N 3.44Å; A109-C347 WeakPolarHBondContact CA-O 3.44Å; A109-V348 HydrophobicContact CB-CG2 4.49Å
110G98.4Very high96.8Very high0 Ų010.8 Ų10.80%07%0.068CC..Hα-helixtrans-72.8-38.5177.800000112.9C89 T93 A106 A114C89-G110 WeakPolarHBondContact CB-O 3.37Å; C89-G110 VanDerWaalsContact O-CA 3.28Å; C89-G110 WeakPolarHBondContact O-CA 3.29Å; T93-G110 WeakPolarHBondContact OG1-CA 3.34Å; A106-G110 PolarHBondContact O-N 3.03Å; G110-A114 WeakPolarHBondContact O-CB 3.3Å; G110-A114 PolarHBondContact O-N 3.21Å
111G98.4Very high97Very high6 Ų610.4 Ų10.46%0.0626%0.062CC..Hα-helixtrans-67.5-43.4-17900000112.8V107 L108 F113 A114 V115V107-G111 VanDerWaalsContact O-CA 3.32Å; V107-G111 WeakPolarHBondContact O-CA 3.25Å; V107-G111 PolarHBondContact O-N 2.93Å; L108-G111 PolarHBondContact O-N 3.5Å; G111-F113 VanDerWaalsContact C-N 3.32Å; G111-F113 PolarHBondContact O-N 2.64Å; G111-A114 WeakPolarHBondContact O-CA 3.34Å; G111-A114 WeakPolarHBondContact O-CB 3.23Å; G111-A114 PolarHBondContact O-N 3.4Å; G111-V115 WeakPolarHBondContact O-CG2 3.49Å; G111-V115 PolarHBondContact O-N 3.24Å
112L98.3Very high97.2Very high0 Ų011.4 Ų11.40%06%0.059CC..Hα-helixtrans-59.6-46.6178.7-79175.1000110.6L108 A114 V115 S116 V283 C347 A350 L382 L383 M386L108-L112 HydrophobicContact CD1-CD1 3.77Å; L108-L112 HydrophobicContact CD1-CD2 4.03Å; L108-L112 HydrophobicContact CD1-CG 3.66Å; L108-L112 HydrophobicContact CD2-CD1 4.12Å; L108-L112 HydrophobicContact CG-CD1 3.57Å; L108-L112 HydrophobicContact CG-CG 3.88Å; L108-L112 WeakPolarHBondContact O-CB 3.47Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.25Å; L112-A114 VanDerWaalsContact C-N 3.26Å; L112-A114 PolarHBondContact O-N 3.33Å; L112-V115 PolarHBondContact O-N 2.91Å; L112-S116 WeakPolarHBondContact O-CB 3.41Å; L112-S116 PolarHBondContact O-N 3.28Å; L112-V283 HydrophobicContact CD1-CB 4.34Å; L112-V283 HydrophobicContact CD1-CG1 3.78Å; L112-V283 HydrophobicContact CD1-CG2 3.6Å; L112-V283 HydrophobicContact CD2-CG2 3.6Å; L112-V283 HydrophobicContact CG-CG2 4.26Å; L112-C347 HydrophobicContact CB-CB 4.44Å; L112-A350 HydrophobicContact CD1-CB 4.26Å; L112-L382 HydrophobicContact CD2-CD2 3.96Å; L112-L382 HydrophobicContact CD2-CG 4.28Å; L112-L383 HydrophobicContact CB-CD2 4.5Å; L112-L383 HydrophobicContact CD2-CD2 3.98Å; L112-L383 HydrophobicContact CG-CD2 4.11Å; L112-L383 VanDerWaalsContact N-CD2 3.3Å; L112-M386 HydrophobicContact CD2-CE 4.46Å; L112-M386 HydrophobicContact CD2-SD 3.65Å
113F98.4Very high97.3Very high2 Ų29.1 Ų9.11%0.0095%0.045CC..Hα-helixtrans-66.2-29.3175.5-165.1-96.8000112.1F92 G111 S119 N133 L340 D343 A344 C347F92-F113 HydrophobicContact CD2-CB 4.12Å; F92-F113 AromaticContact CD2-CD1 3.94Å; F92-F113 HydrophobicContact CD2-CD1 3.94Å; F92-F113 HydrophobicContact CD2-CG 4.01Å; F92-F113 HydrophobicContact CE2-CB 4.39Å; F92-F113 AromaticContact CE2-CD1 3.46Å; F92-F113 HydrophobicContact CE2-CD1 3.46Å; F92-F113 VanDerWaalsContact CE2-CD1 3.46Å; F92-F113 HydrophobicContact CE2-CD2 4.27Å; F92-F113 AromaticContact CE2-CE1 3.69Å; F92-F113 HydrophobicContact CE2-CE1 3.69Å; F92-F113 HydrophobicContact CE2-CE2 4.47Å; F92-F113 AromaticContact CE2-CG 3.77Å; F92-F113 HydrophobicContact CE2-CG 3.77Å; F92-F113 HydrophobicContact CE2-CZ 4.2Å; F92-F113 HydrophobicContact CZ-CE1 4.49Å; G111-F113 VanDerWaalsContact C-N 3.32Å; G111-F113 PolarHBondContact O-N 2.64Å; F113-S119 WeakPolarHBondContact CD1-OG 3.48Å; F113-S119 WeakPolarHBondContact CE1-OG 3.37Å; F113-S119 WeakPolarHBondContact O-CB 3.48Å; F113-S119 PolarHBondContact O-OG 2.87Å; F113-N133 HydrophobicContact CE1-CB 4.26Å; F113-N133 HydrophobicContact CZ-CB 4.35Å; F113-L340 HydrophobicContact CE2-CD2 4.46Å; F113-L340 WeakPolarHBondContact CE2-O 3.35Å; F113-L340 HydrophobicContact CZ-CD2 4.13Å; F113-D343 HydrophobicContact CE2-CB 4.26Å; F113-A344 HydrophobicContact CD2-CB 4.18Å; F113-A344 HydrophobicContact CE2-CB 3.84Å; F113-A344 HydrophobicContact CZ-CB 4.4Å; F113-C347 HydrophobicContact CB-CB 4.31Å
114A98.4Very high97.5Very high3 Ų39 Ų93%0.0254%0.043CC..Hα-helixtrans-73.6-31.5176.700000113.4V19 Y23 C89 G110 G111 L112V19-A114 HydrophobicContact CB-CB 4.37Å; V19-A114 HydrophobicContact CG1-CB 3.84Å; V19-A114 HydrophobicContact CG2-CB 3.52Å; Y23-A114 VanDerWaalsContact CE1-O 3.29Å; Y23-A114 WeakPolarHBondContact CE1-O 3.46Å; Y23-A114 WeakPolarHBondContact OH-CA 3.39Å; Y23-A114 PolarHBondContact OH-O 3.48Å; C89-A114 HydrophobicContact CB-CB 4.3Å; G110-A114 WeakPolarHBondContact O-CB 3.3Å; G110-A114 PolarHBondContact O-N 3.21Å; G111-A114 WeakPolarHBondContact O-CA 3.34Å; G111-A114 WeakPolarHBondContact O-CB 3.23Å; G111-A114 PolarHBondContact O-N 3.4Å; L112-A114 VanDerWaalsContact C-N 3.26Å; L112-A114 PolarHBondContact O-N 3.33Å
115V97.9Very high97.6Very high19 Ų199.6 Ų9.612%0.1155%0.047CC..Hα-helixtrans-105.2-1-175.6-55.30000113.7G111 L112 L383 M386 N390G111-V115 WeakPolarHBondContact O-CG2 3.49Å; G111-V115 PolarHBondContact O-N 3.24Å; L112-V115 PolarHBondContact O-N 2.91Å; V115-L383 HydrophobicContact CG2-CD2 3.83Å; V115-M386 HydrophobicContact CB-CB 4.34Å; V115-M386 HydrophobicContact CG2-CB 3.6Å; V115-M386 HydrophobicContact CG2-CE 4.41Å; V115-M386 HydrophobicContact CG2-SD 4.35Å; V115-N390 PolarHBondContact O-ND2 3.36Å
116S97.4Very high97.6Very high0 Ų09.6 Ų9.60%05%0.047CC..SBendtrans-67.8140.216977.90000110L112 L118 S119 W120 D278L112-S116 WeakPolarHBondContact O-CB 3.41Å; L112-S116 PolarHBondContact O-N 3.28Å; S116-L118 VanDerWaalsContact C-N 3.31Å; S116-L118 PolarHBondContact O-N 3.03Å; S116-S119 PolarHBondContact O-N 3.29Å; S116-S119 WeakPolarHBondContact OG-CB 3.32Å; S116-W120 VanDerWaalsContact O-CB 3.31Å; S116-W120 WeakPolarHBondContact O-CB 3.49Å; S116-W120 PolarHBondContact O-N 3.44Å; S116-D278 WeakPolarHBondContact CB-OD2 3.29Å
117R96.3Very high97.5Very high47 Ų479.7 Ų9.718%0.1775%0.047CC..Hα-helixtrans-57.4-47.4-174.3-178.9-171.265.888.3-1.6110.2W120 Q121 D278 E336 N390 E393R117-W120 PolarHBondContact O-N 3.4Å; R117-Q121 HydrophobicContact CG-CG 4.4Å; R117-Q121 VanDerWaalsContact NH1-OE1 3.12Å; R117-Q121 WeakPolarHBondContact O-CB 3.29Å; R117-Q121 VanDerWaalsContact O-CG 3.24Å; R117-Q121 WeakPolarHBondContact O-CG 3.43Å; R117-Q121 PolarHBondContact O-N 3.41Å; R117-D278 WeakPolarHBondContact CA-OD1 3.48Å; R117-D278 WeakPolarHBondContact CB-OD1 3.47Å; R117-D278 PolarHBondContact N-OD1 3.23Å; R117-E336 IonicContact CZ-OE2 3.17Å; R117-E336 IonicContact NH1-OE2 2.83Å; R117-E336 IonicContact NH2-OE1 3Å; R117-E336 IonicContact NH2-OE2 3.74Å; R117-E336 PolarHBondContact NH2-OE2 2.93Å; R117-N390 PolarHBondContact N-ND2 3.16Å; R117-E393 WeakPolarHBondContact CD-OE1 3.36Å; R117-E393 IonicContact NH1-OE1 2.73Å
118L95.9Very high97.5Very high1 Ų18.9 Ų8.91%0.0054%0.042CC..Hα-helixtrans-64.4-48.5-174.3-175.368.2000111.9S116 W122 D278 E336 W339 L340S116-L118 VanDerWaalsContact C-N 3.31Å; S116-L118 PolarHBondContact O-N 3.03Å; L118-W122 VanDerWaalsContact CD1-NE1 3.33Å; L118-W122 PolarHBondContact O-N 2.89Å; L118-D278 WeakPolarHBondContact CB-OD2 3.38Å; L118-D278 PolarHBondContact N-OD2 2.96Å; L118-E336 HydrophobicContact CD1-CB 3.95Å; L118-E336 WeakPolarHBondContact CD2-O 3.5Å; L118-W339 HydrophobicContact CD2-CB 4.38Å; L118-L340 HydrophobicContact CB-CD2 4.33Å; L118-L340 HydrophobicContact CD2-CD2 3.86Å; L118-L340 HydrophobicContact CD2-CG 3.9Å; L118-L340 HydrophobicContact CG-CD2 3.7Å; L118-L340 HydrophobicContact CG-CG 4.04Å
119S97.3Very high97.4Very high1 Ų19.2 Ų9.21%0.0074%0.044CC..Hα-helixtrans-65.6-41.5179.5169.80000112.2F113 S116 S123F113-S119 WeakPolarHBondContact CD1-OG 3.48Å; F113-S119 WeakPolarHBondContact CE1-OG 3.37Å; F113-S119 WeakPolarHBondContact O-CB 3.48Å; F113-S119 PolarHBondContact O-OG 2.87Å; S116-S119 PolarHBondContact O-N 3.29Å; S116-S119 WeakPolarHBondContact OG-CB 3.32Å; S119-S123 WeakPolarHBondContact O-CB 3.48Å; S119-S123 PolarHBondContact O-N 3.24Å; S119-S123 VanDerWaalsContact O-N 3.09Å; S119-S123 PolarHBondContact O-OG 3.13Å
120W97.9Very high97.3Very high4 Ų49.2 Ų9.22%0.0154%0.044CC..Hα-helixtrans-63.5-50.6178-166.7-25.1000110.5V22 Y23 S116 R117 W122 S123 M124 H391 C394V22-W120 HydrophobicContact CG1-CH2 3.33Å; V22-W120 HydrophobicContact CG1-CZ2 3.28Å; V22-W120 HydrophobicContact CG1-CZ3 4.2Å; Y23-W120 AromaticContact CD1-CD1 3.91Å; Y23-W120 HydrophobicContact CD1-CD2 4.35Å; Y23-W120 HydrophobicContact CD1-CG 4.3Å; Y23-W120 AromaticContact CD1-NE1 3.76Å; Y23-W120 HydrophobicContact CE1-CB 4.24Å; Y23-W120 AromaticContact CE1-CD1 3.69Å; Y23-W120 AromaticContact CE1-CD2 3.86Å; Y23-W120 HydrophobicContact CE1-CD2 3.86Å; Y23-W120 AromaticContact CE1-CG 3.67Å; Y23-W120 HydrophobicContact CE1-CG 3.67Å; Y23-W120 AromaticContact CE1-NE1 3.92Å; S116-W120 VanDerWaalsContact O-CB 3.31Å; S116-W120 WeakPolarHBondContact O-CB 3.49Å; S116-W120 PolarHBondContact O-N 3.44Å; R117-W120 PolarHBondContact O-N 3.4Å; W120-W122 PolarHBondContact O-N 3.37Å; W120-S123 WeakPolarHBondContact O-CA 3.25Å; W120-S123 WeakPolarHBondContact O-CB 3.43Å; W120-S123 PolarHBondContact O-N 3.04Å; W120-M124 WeakPolarHBondContact O-CG 3.31Å; W120-M124 PolarHBondContact O-N 3.48Å; W120-H391 HydrophobicContact CH2-CB 4.01Å; W120-H391 AromaticContact CH2-CD2 3.9Å; W120-C394 HydrophobicContact CB-CB 4.08Å; W120-C394 HydrophobicContact CD2-CB 3.69Å; W120-C394 HydrophobicContact CE3-CB 4.39Å; W120-C394 HydrophobicContact CG-CB 3.51Å
121Q95.7Very high97.3Very high40 Ų409.4 Ų9.419%0.1875%0.045CC..Hα-helixtrans-53.3-50.4179.4-77.5175.3-15.800112.3R117 S123 M124 E393 C394R117-Q121 HydrophobicContact CG-CG 4.4Å; R117-Q121 VanDerWaalsContact NH1-OE1 3.12Å; R117-Q121 WeakPolarHBondContact O-CB 3.29Å; R117-Q121 VanDerWaalsContact O-CG 3.24Å; R117-Q121 WeakPolarHBondContact O-CG 3.43Å; R117-Q121 PolarHBondContact O-N 3.41Å; Q121-S123 PolarHBondContact O-N 3.14Å; Q121-M124 PolarHBondContact O-N 3.38Å; Q121-M124 VanDerWaalsContact O-N 3.08Å; Q121-E393 PolarHBondContact NE2-OE1 3.47Å; Q121-C394 HydrophobicContact CG-CB 4.49Å
122W95.9Very high97.2Very high43 Ų439.2 Ų9.216%0.1634%0.043CC..Hα-helixtrans-73.4-13.2-179.8-65.8114.9000113.9L118 W120 V125 E127 F129 T130 R337 L340L118-W122 VanDerWaalsContact CD1-NE1 3.33Å; L118-W122 PolarHBondContact O-N 2.89Å; W120-W122 PolarHBondContact O-N 3.37Å; W122-V125 HydrophobicContact CE3-CG2 3.79Å; W122-V125 HydrophobicContact CZ3-CG2 4.24Å; W122-E127 HydrophobicContact CE3-CB 4.03Å; W122-E127 HydrophobicContact CE3-CG 3.68Å; W122-E127 HydrophobicContact CZ3-CB 4.43Å; W122-E127 HydrophobicContact CZ3-CG 3.64Å; W122-F129 HydrophobicContact CD2-CD2 4.38Å; W122-F129 HydrophobicContact CE3-CD2 4.28Å; W122-T130 PolarHBondContact O-OG1 2.91Å; W122-R337 HydrophobicContact CD2-CB 4.32Å; W122-R337 HydrophobicContact CZ2-CB 3.66Å; W122-R337 HydrophobicContact CZ2-CG 4.46Å; W122-L340 HydrophobicContact CB-CD1 4.26Å; W122-L340 HydrophobicContact CG-CD1 4.25Å
123S98.1Very high97.2Very high1 Ų19.4 Ų9.41%0.0074%0.043CC..Hα-helixtrans-81.3-14.8170.3-60.20000112.9Y23 C81 S82 S119 W120 Q121Y23-S123 WeakPolarHBondContact CE2-OG 3.38Å; C81-S123 CarbonylContact C-O 3.43Å; S82-S123 WeakPolarHBondContact CA-O 3.48Å; S82-S123 WeakPolarHBondContact CB-O 3.17Å; S82-S123 PolarHBondContact N-O 2.96Å; S119-S123 WeakPolarHBondContact O-CB 3.48Å; S119-S123 PolarHBondContact O-N 3.24Å; S119-S123 VanDerWaalsContact O-N 3.09Å; S119-S123 PolarHBondContact O-OG 3.13Å; W120-S123 WeakPolarHBondContact O-CA 3.25Å; W120-S123 WeakPolarHBondContact O-CB 3.43Å; W120-S123 PolarHBondContact O-N 3.04Å; Q121-S123 PolarHBondContact O-N 3.14Å
124M98.1Very high97.2Very high0 Ų010.7 Ų10.70%05%0.05CC..SBendtrans-88.1-11.6-179-61.3-5590.400114.2Y23 C26 V27 Q28 W120 Q121 C394 Q396Y23-M124 HydrophobicContact CD1-CE 3.96Å; Y23-M124 HydrophobicContact CD2-CE 3.83Å; Y23-M124 HydrophobicContact CE2-CE 4.41Å; Y23-M124 HydrophobicContact CG-CE 3.56Å; C26-M124 VanDerWaalsContact C-SD 3.53Å; C26-M124 HydrophobicContact CB-SD 3.48Å; C26-M124 WeakPolarHBondContact CB-SD 3.47Å; V27-M124 HydrophobicContact CG2-SD 4.32Å; Q28-M124 PolarHBondContact N-O 3.04Å; W120-M124 WeakPolarHBondContact O-CG 3.31Å; W120-M124 PolarHBondContact O-N 3.48Å; Q121-M124 PolarHBondContact O-N 3.38Å; Q121-M124 VanDerWaalsContact O-N 3.08Å; M124-C394 WeakPolarHBondContact CG-O 3.39Å; M124-Q396 HydrophobicContact CB-CB 4.3Å; M124-Q396 HydrophobicContact CB-CG 4.01Å; M124-Q396 HydrophobicContact CG-CG 4.3Å
125V97.4Very high97.2Very high14 Ų1411.5 Ų11.59%0.0855%0.053CC..SBendtrans-130.6158-167.3-62.10000112.3Q28 P32 C81 W122 E127Q28-V125 HydrophobicContact CB-CG1 4.43Å; P32-V125 HydrophobicContact CB-CB 3.97Å; P32-V125 HydrophobicContact CB-CG1 3.77Å; P32-V125 HydrophobicContact CG-CB 3.66Å; P32-V125 HydrophobicContact CG-CG1 3.66Å; C81-V125 VanDerWaalsContact CB-O 3.29Å; C81-V125 WeakPolarHBondContact CB-O 3.44Å; C81-V125 PolarHBondContact SG-O 3.35Å; W122-V125 HydrophobicContact CE3-CG2 3.79Å; W122-V125 HydrophobicContact CZ3-CG2 4.24Å; V125-E127 VanDerWaalsContact C-N 3.28Å; V125-E127 HydrophobicContact CG2-CB 4.37Å; V125-E127 HydrophobicContact CG2-CG 3.83Å; V125-E127 PolarHBondContact O-N 2.93Å
126A97.6Very high97.2Very high0 Ų010.6 Ų10.60%05%0.048CC..SBendtrans-7573.5-176.200000112.4S36 L39 I40 V77 N78S36-A126 PolarHBondContact OG-O 2.97Å; L39-A126 WeakPolarHBondContact CD1-O 3.46Å; I40-A126 HydrophobicContact CD1-CB 3.61Å; I40-A126 HydrophobicContact CG1-CB 3.59Å; V77-A126 HydrophobicContact CB-CB 4.04Å; V77-A126 HydrophobicContact CG1-CB 3.5Å; N78-A126 WeakPolarHBondContact OD1-CA 3.36Å; N78-A126 WeakPolarHBondContact OD1-CB 2.94Å; N78-A126 PolarHBondContact OD1-N 2.84Å
127E96.2Very high97.3Very high3 Ų310.6 Ų10.61%0.0145%0.048CC..  trans-129.8150.8-177.4-72-76.6161.200112.6S36 F57 W122 V125 F129 R337S36-E127 PolarHBondContact N-OE1 3.42Å; S36-E127 VanDerWaalsContact N-OE1 3.11Å; S36-E127 WeakPolarHBondContact OG-CG 3.18Å; S36-E127 PolarHBondContact OG-OE1 2.87Å; F57-E127 VanDerWaalsContact CE2-O 3.29Å; F57-E127 WeakPolarHBondContact CE2-O 3.27Å; W122-E127 HydrophobicContact CE3-CB 4.03Å; W122-E127 HydrophobicContact CE3-CG 3.68Å; W122-E127 HydrophobicContact CZ3-CB 4.43Å; W122-E127 HydrophobicContact CZ3-CG 3.64Å; V125-E127 VanDerWaalsContact C-N 3.28Å; V125-E127 HydrophobicContact CG2-CB 4.37Å; V125-E127 HydrophobicContact CG2-CG 3.83Å; V125-E127 PolarHBondContact O-N 2.93Å; E127-F129 HydrophobicContact CB-CD2 3.91Å; E127-F129 HydrophobicContact CB-CE2 4.41Å; E127-F129 PolarHBondContact O-N 3.26Å; E127-F129 WeakPolarHBondContact OE2-CE2 3.27Å; E127-R337 IonicContact OE2-NH1 3.53Å
128V96.8Very high97.4Very high3 Ų310.1 Ų10.12%0.0185%0.05CC..Hα-helixtrans-71.8-17.2-172.3-60.40000113.3L39 Y54 F57 T130 S132 N172L39-V128 HydrophobicContact CD1-CG1 3.86Å; L39-V128 HydrophobicContact CD2-CG1 3.91Å; Y54-V128 HydrophobicContact CD1-CB 3.63Å; Y54-V128 HydrophobicContact CD1-CG1 3.3Å; Y54-V128 HydrophobicContact CD1-CG2 3.93Å; Y54-V128 HydrophobicContact CD2-CG1 4.3Å; Y54-V128 HydrophobicContact CE1-CB 3.81Å; Y54-V128 HydrophobicContact CE1-CG1 3.76Å; Y54-V128 HydrophobicContact CE1-CG2 3.53Å; Y54-V128 HydrophobicContact CG-CB 4.45Å; Y54-V128 HydrophobicContact CG-CG1 3.63Å; F57-V128 HydrophobicContact CB-CG1 4.36Å; F57-V128 HydrophobicContact CD1-CG1 4.08Å; F57-V128 HydrophobicContact CD2-CG1 4.27Å; F57-V128 HydrophobicContact CE1-CG1 4.46Å; F57-V128 HydrophobicContact CG-CG1 3.97Å; V128-T130 VanDerWaalsContact C-N 3.34Å; V128-T130 PolarHBondContact O-N 3.33Å; V128-S132 PolarHBondContact O-N 3.11Å; V128-S132 VanDerWaalsContact O-N 3.14Å; V128-N172 PolarHBondContact O-ND2 3.45Å
129F96.5Very high97.5Very high7 Ų710.2 Ų10.23%0.0315%0.05CC..Hα-helixtrans-65.6-36-176.2-56.3-71.4000112.4W122 E127 S132 N133 R337 F338 L340W122-F129 HydrophobicContact CD2-CD2 4.38Å; W122-F129 HydrophobicContact CE3-CD2 4.28Å; E127-F129 HydrophobicContact CB-CD2 3.91Å; E127-F129 HydrophobicContact CB-CE2 4.41Å; E127-F129 PolarHBondContact O-N 3.26Å; E127-F129 WeakPolarHBondContact OE2-CE2 3.27Å; F129-S132 CarbonylContact O-C 3.47Å; F129-S132 WeakPolarHBondContact O-CA 3.13Å; F129-S132 WeakPolarHBondContact O-CB 3.49Å; F129-S132 PolarHBondContact O-N 3.2Å; F129-S132 VanDerWaalsContact O-N 3.11Å; F129-N133 VanDerWaalsContact O-CG 3.23Å; F129-N133 PolarHBondContact O-N 3.15Å; F129-N133 PolarHBondContact O-ND2 2.79Å; F129-N133 PolarHBondContact O-OD1 3.13Å; F129-R337 HydrophobicContact CD1-CG 4.47Å; F129-R337 HydrophobicContact CD2-CB 4.32Å; F129-R337 HydrophobicContact CD2-CG 4.48Å; F129-R337 HydrophobicContact CE1-CB 4.3Å; F129-R337 HydrophobicContact CE1-CG 3.76Å; F129-R337 HydrophobicContact CE2-CB 4.12Å; F129-R337 VanDerWaalsContact CE2-CD 3.45Å; F129-R337 HydrophobicContact CE2-CG 3.83Å; F129-R337 HydrophobicContact CZ-CB 4.13Å; F129-R337 HydrophobicContact CZ-CG 3.43Å; F129-R337 VanDerWaalsContact CZ-CG 3.43Å; F129-F338 HydrophobicContact CE1-CD1 4.48Å; F129-F338 HydrophobicContact CE1-CE1 4.22Å; F129-F338 HydrophobicContact CE1-CZ 4.48Å; F129-L340 HydrophobicContact CB-CD1 3.68Å; F129-L340 HydrophobicContact CG-CD1 4.21Å
130T96.4Very high97.5Very high0 Ų010.2 Ų10.20%05%0.05CC..Hα-helixtrans-71.4-37.6-175.5-61.10000112.1C81 L84 W122 V128 S132 N133 L134C81-T130 WeakPolarHBondContact O-CG2 3.42Å; L84-T130 HydrophobicContact CB-CG2 4.06Å; W122-T130 PolarHBondContact O-OG1 2.91Å; V128-T130 VanDerWaalsContact C-N 3.34Å; V128-T130 PolarHBondContact O-N 3.33Å; T130-S132 VanDerWaalsContact C-N 3.31Å; T130-N133 PolarHBondContact O-N 3.27Å; T130-L134 PolarHBondContact O-N 3.24Å; T130-L134 VanDerWaalsContact O-N 3.16Å
131L98.1Very high97.6Very high4 Ų412 Ų122%0.0216%0.058CC..Hα-helixtrans-66.4-35.5169.5-179.256.2000111.6V56 F57 L60 L84 L134 F135 N172V56-L131 HydrophobicContact CG1-CD2 4.04Å; F57-L131 HydrophobicContact CB-CD2 4.09Å; F57-L131 HydrophobicContact CD2-CB 4.25Å; F57-L131 HydrophobicContact CD2-CD2 4.16Å; L60-L131 HydrophobicContact CD1-CD1 4.24Å; L60-L131 HydrophobicContact CD1-CD2 3.95Å; L84-L131 HydrophobicContact CD1-CB 4.24Å; L84-L131 HydrophobicContact CD1-CD1 4.19Å; L84-L131 HydrophobicContact CD2-CD1 4.35Å; L131-L134 HydrophobicContact CD1-CD2 4.39Å; L131-L134 WeakPolarHBondContact O-CB 3.42Å; L131-L134 PolarHBondContact O-N 2.84Å; L131-F135 HydrophobicContact CD1-CD2 4.28Å; L131-F135 HydrophobicContact CD1-CE2 3.77Å; L131-F135 HydrophobicContact CD1-CZ 4.27Å; L131-F135 HydrophobicContact CD2-CE2 4.2Å; L131-F135 HydrophobicContact CG-CD2 4.13Å; L131-F135 HydrophobicContact CG-CE2 3.68Å; L131-F135 WeakPolarHBondContact O-CD2 3.25Å; L131-F135 PolarHBondContact O-N 3.49Å; L131-F135 VanDerWaalsContact O-N 3.11Å; L131-N172 HydrophobicContact CD2-CB 4.32Å; L131-N172 WeakPolarHBondContact CD2-OD1 3.5Å; L131-N172 HydrophobicContact CG-CB 4.47Å
132S97.3Very high97.7Very high2 Ų211.1 Ų11.11%0.0146%0.055CC..Hα-helixtrans-61.3-45.5173.8-159.40000111.6V128 F129 T130 L134 F135 I136 N172 Q173 Q341V128-S132 PolarHBondContact O-N 3.11Å; V128-S132 VanDerWaalsContact O-N 3.14Å; F129-S132 CarbonylContact O-C 3.47Å; F129-S132 WeakPolarHBondContact O-CA 3.13Å; F129-S132 WeakPolarHBondContact O-CB 3.49Å; F129-S132 PolarHBondContact O-N 3.2Å; F129-S132 VanDerWaalsContact O-N 3.11Å; T130-S132 VanDerWaalsContact C-N 3.31Å; S132-L134 VanDerWaalsContact C-N 3.27Å; S132-L134 PolarHBondContact O-N 3.35Å; S132-F135 WeakPolarHBondContact O-CB 3.39Å; S132-F135 PolarHBondContact O-N 3.3Å; S132-I136 VanDerWaalsContact O-CG1 3.31Å; S132-I136 WeakPolarHBondContact O-CG1 3.08Å; S132-I136 PolarHBondContact O-N 3.41Å; S132-N172 PolarHBondContact N-ND2 3.09Å; S132-N172 VanDerWaalsContact N-ND2 3.2Å; S132-Q173 PolarHBondContact OG-OE1 3.05Å; S132-Q341 PolarHBondContact OG-NE2 3.02Å
133N97.9Very high97.7Very high3 Ų39.4 Ų9.42%0.0165%0.049CC..Hα-helixtrans-60.5-37176.9-67.6-20.7000111.9A88 F113 F129 T130 I136 G137A88-N133 HydrophobicContact CB-CB 4.1Å; F113-N133 HydrophobicContact CE1-CB 4.26Å; F113-N133 HydrophobicContact CZ-CB 4.35Å; F129-N133 VanDerWaalsContact O-CG 3.23Å; F129-N133 PolarHBondContact O-N 3.15Å; F129-N133 PolarHBondContact O-ND2 2.79Å; F129-N133 PolarHBondContact O-OD1 3.13Å; T130-N133 PolarHBondContact O-N 3.27Å; N133-I136 PolarHBondContact O-N 3.4Å; N133-G137 PolarHBondContact O-N 2.99Å
134L98.6Very high97.6Very high30 Ų309.3 Ų9.316%0.1575%0.049CC..Hα-helixtrans-63.4-45.7172.9178.561.1000111.5L84 A87 A88 T130 L131 S132 I136 G137 V138L84-L134 HydrophobicContact CD2-CD2 3.62Å; A87-L134 HydrophobicContact CB-CD1 3.86Å; A88-L134 HydrophobicContact CB-CB 4.2Å; T130-L134 PolarHBondContact O-N 3.24Å; T130-L134 VanDerWaalsContact O-N 3.16Å; L131-L134 HydrophobicContact CD1-CD2 4.39Å; L131-L134 WeakPolarHBondContact O-CB 3.42Å; L131-L134 PolarHBondContact O-N 2.84Å; S132-L134 VanDerWaalsContact C-N 3.27Å; S132-L134 PolarHBondContact O-N 3.35Å; L134-I136 VanDerWaalsContact C-N 3.33Å; L134-I136 PolarHBondContact O-N 2.84Å; L134-G137 PolarHBondContact O-N 3.47Å; L134-V138 HydrophobicContact CD1-CG2 4.25Å; L134-V138 WeakPolarHBondContact O-CG2 3.4Å; L134-V138 PolarHBondContact O-N 2.84Å
135F98.6Very high97.5Very high19 Ų199.8 Ų9.88%0.0835%0.052CC..Hα-helixtrans-60.7-42.3175.5-75-60.1000112.2V56 L131 S132 V138 L139 L168 N172V56-F135 HydrophobicContact CG1-CZ 4.38Å; L131-F135 HydrophobicContact CD1-CD2 4.28Å; L131-F135 HydrophobicContact CD1-CE2 3.77Å; L131-F135 HydrophobicContact CD1-CZ 4.27Å; L131-F135 HydrophobicContact CD2-CE2 4.2Å; L131-F135 HydrophobicContact CG-CD2 4.13Å; L131-F135 HydrophobicContact CG-CE2 3.68Å; L131-F135 WeakPolarHBondContact O-CD2 3.25Å; L131-F135 PolarHBondContact O-N 3.49Å; L131-F135 VanDerWaalsContact O-N 3.11Å; S132-F135 WeakPolarHBondContact O-CB 3.39Å; S132-F135 PolarHBondContact O-N 3.3Å; F135-V138 PolarHBondContact O-N 3.02Å; F135-L139 WeakPolarHBondContact O-CG 2.97Å; F135-L139 PolarHBondContact O-N 3.49Å; F135-L168 HydrophobicContact CE1-CB 4.23Å; F135-L168 HydrophobicContact CE1-CD2 3.86Å; F135-L168 HydrophobicContact CE1-CG 3.87Å; F135-L168 HydrophobicContact CZ-CB 4.46Å; F135-L168 HydrophobicContact CZ-CD2 4.04Å; F135-L168 HydrophobicContact CZ-CG 3.78Å; F135-N172 HydrophobicContact CD2-CB 4.17Å; F135-N172 HydrophobicContact CE2-CB 3.84Å
136I98.1Very high97.5Very high0 Ų09.3 Ų9.30%05%0.048CC..Hα-helixtrans-60.2-47.3175-64.2-74.7000110.6F92 S132 N133 L134 V138 L139 F140 L176 Y179 Q341 A344F92-I136 HydrophobicContact CE1-CG2 4.27Å; S132-I136 VanDerWaalsContact O-CG1 3.31Å; S132-I136 WeakPolarHBondContact O-CG1 3.08Å; S132-I136 PolarHBondContact O-N 3.41Å; N133-I136 PolarHBondContact O-N 3.4Å; L134-I136 VanDerWaalsContact C-N 3.33Å; L134-I136 PolarHBondContact O-N 2.84Å; I136-V138 PolarHBondContact O-N 2.77Å; I136-L139 PolarHBondContact O-N 3.34Å; I136-F140 HydrophobicContact CG2-CD1 4.27Å; I136-F140 HydrophobicContact CG2-CD2 4.33Å; I136-F140 HydrophobicContact CG2-CE1 3.88Å; I136-F140 HydrophobicContact CG2-CE2 3.94Å; I136-F140 HydrophobicContact CG2-CZ 3.7Å; I136-F140 WeakPolarHBondContact O-CD1 3.45Å; I136-F140 WeakPolarHBondContact O-CG 3.31Å; I136-F140 PolarHBondContact O-N 3.4Å; I136-L176 HydrophobicContact CD1-CD1 3.26Å; I136-L176 HydrophobicContact CG1-CD1 4.05Å; I136-Y179 HydrophobicContact CD1-CD2 3.38Å; I136-Y179 HydrophobicContact CD1-CE2 3.64Å; I136-Y179 HydrophobicContact CD1-CG 4.23Å; I136-Y179 HydrophobicContact CG2-CD2 4.35Å; I136-Y179 HydrophobicContact CG2-CE2 3.92Å; I136-Q341 HydrophobicContact CD1-CG 4.33Å; I136-Q341 HydrophobicContact CG1-CG 4.24Å; I136-A344 HydrophobicContact CG2-CB 4.41Å
137G98.3Very high97.3Very high0 Ų010.9 Ų10.90%06%0.056CC..Hα-helixtrans-59.8-43.4176.300000112.9C91 N133 L134 F140 F141C91-G137 VanDerWaalsContact CB-C 3.41Å; N133-G137 PolarHBondContact O-N 2.99Å; L134-G137 PolarHBondContact O-N 3.47Å; G137-F140 PolarHBondContact O-N 2.93Å; G137-F141 WeakPolarHBondContact O-CB 3.33Å; G137-F141 PolarHBondContact O-N 3.36Å
138V98.6Very high97.2Very high37 Ų3712.4 Ų12.422%0.2247%0.066CC..Hα-helixtrans-62.9-43.5175170.70000110.8L134 F135 I136 F141 L142L134-V138 HydrophobicContact CD1-CG2 4.25Å; L134-V138 WeakPolarHBondContact O-CG2 3.4Å; L134-V138 PolarHBondContact O-N 2.84Å; F135-V138 PolarHBondContact O-N 3.02Å; I136-V138 PolarHBondContact O-N 2.77Å; V138-F141 PolarHBondContact O-N 3Å; V138-L142 HydrophobicContact CG1-CD1 3.73Å; V138-L142 HydrophobicContact CG1-CG 4.17Å; V138-L142 WeakPolarHBondContact O-CB 3.3Å; V138-L142 VanDerWaalsContact O-CG 3.24Å; V138-L142 WeakPolarHBondContact O-CG 3.47Å; V138-L142 PolarHBondContact O-N 3.16Å
139L98.2Very high97Very high3 Ų312.6 Ų12.62%0.0167%0.068CC..Hα-helixtrans-64.1-41.1177-72.8-177.3000112.2F135 I136 F141 L142 T143 C165 L176 V180 I183F135-L139 WeakPolarHBondContact O-CG 2.97Å; F135-L139 PolarHBondContact O-N 3.49Å; I136-L139 PolarHBondContact O-N 3.34Å; L139-F141 VanDerWaalsContact C-N 3.34Å; L139-F141 PolarHBondContact O-N 2.67Å; L139-L142 PolarHBondContact O-N 3.23Å; L139-T143 VanDerWaalsContact O-CB 3.28Å; L139-T143 WeakPolarHBondContact O-CB 3.4Å; L139-T143 PolarHBondContact O-N 3.34Å; L139-T143 PolarHBondContact O-OG1 3Å; L139-T143 VanDerWaalsContact O-OG1 3.05Å; L139-C165 HydrophobicContact CD2-CB 4.1Å; L139-L176 HydrophobicContact CD1-CD1 3.65Å; L139-L176 HydrophobicContact CD1-CD2 4.38Å; L139-L176 HydrophobicContact CD1-CG 4.25Å; L139-V180 HydrophobicContact CD1-CG2 4.44Å; L139-I183 HydrophobicContact CB-CD1 4.28Å; L139-I183 HydrophobicContact CD1-CD1 4.26Å
140F98.3Very high96.8Very high2 Ų218.1 Ų18.11%0.0099%0.094CC..Hα-helixtrans-60.6-45.3174.7-74.63.5000111.2F92 T95 I136 G137 T143 A144 Y179 L307 M310 A344 A345 V348F92-F140 AromaticContact CD1-CD2 3.96Å; F92-F140 HydrophobicContact CD1-CD2 3.96Å; F92-F140 AromaticContact CE1-CD2 3.87Å; F92-F140 HydrophobicContact CE1-CD2 3.87Å; F92-F140 HydrophobicContact CE1-CE2 4.21Å; T95-F140 HydrophobicContact CG2-CB 4.01Å; I136-F140 HydrophobicContact CG2-CD1 4.27Å; I136-F140 HydrophobicContact CG2-CD2 4.33Å; I136-F140 HydrophobicContact CG2-CE1 3.88Å; I136-F140 HydrophobicContact CG2-CE2 3.94Å; I136-F140 HydrophobicContact CG2-CZ 3.7Å; I136-F140 WeakPolarHBondContact O-CD1 3.45Å; I136-F140 WeakPolarHBondContact O-CG 3.31Å; I136-F140 PolarHBondContact O-N 3.4Å; G137-F140 PolarHBondContact O-N 2.93Å; F140-T143 PolarHBondContact O-N 3.29Å; F140-A144 WeakPolarHBondContact O-CB 3.48Å; F140-A144 PolarHBondContact O-N 3.45Å; F140-Y179 AromaticContact CE1-CD2 3.81Å; F140-Y179 HydrophobicContact CE1-CD2 3.81Å; F140-Y179 AromaticContact CE1-CE2 3.56Å; F140-Y179 HydrophobicContact CE1-CE2 3.56Å; F140-Y179 HydrophobicContact CZ-CD2 4.32Å; F140-Y179 AromaticContact CZ-CE2 3.6Å; F140-Y179 HydrophobicContact CZ-CE2 3.6Å; F140-L307 HydrophobicContact CD1-CD2 3.59Å; F140-L307 HydrophobicContact CD2-CD2 4Å; F140-L307 HydrophobicContact CE1-CD2 3.41Å; F140-L307 VanDerWaalsContact CE1-CD2 3.41Å; F140-L307 HydrophobicContact CE2-CD2 3.84Å; F140-L307 HydrophobicContact CG-CD2 3.88Å; F140-L307 HydrophobicContact CZ-CD2 3.53Å; F140-M310 HydrophobicContact CE1-SD 3.95Å; F140-A344 HydrophobicContact CE2-CB 4.34Å; F140-A345 HydrophobicContact CE2-CB 4.48Å; F140-A345 HydrophobicContact CZ-CB 4.19Å; F140-V348 HydrophobicContact CD2-CG2 3.99Å; F140-V348 HydrophobicContact CE2-CG2 4.33Å
141F98.1Very high96.6Very high40 Ų4021.7 Ų21.718%0.17511%0.113CC..Hα-helixtrans-63.9-42.4176.6168.7-110.5000112.6W9 L94 T95 R98 G137 V138 L139 A144 S145W9-F141 HydrophobicContact CH2-CZ 4.32Å; W9-F141 HydrophobicContact CZ2-CZ 4.36Å; L94-F141 HydrophobicContact CB-CD2 4.23Å; L94-F141 HydrophobicContact CD1-CE2 4.36Å; L94-F141 HydrophobicContact CD2-CD1 4.2Å; L94-F141 HydrophobicContact CD2-CD2 3.59Å; L94-F141 HydrophobicContact CD2-CE1 4.1Å; L94-F141 HydrophobicContact CD2-CE2 3.47Å; L94-F141 VanDerWaalsContact CD2-CE2 3.47Å; L94-F141 HydrophobicContact CD2-CG 3.95Å; L94-F141 HydrophobicContact CD2-CZ 3.74Å; L94-F141 HydrophobicContact CG-CD2 3.54Å; L94-F141 HydrophobicContact CG-CE2 3.53Å; L94-F141 HydrophobicContact CG-CG 4.31Å; L94-F141 HydrophobicContact CG-CZ 4.29Å; T95-F141 WeakPolarHBondContact OG1-CA 3.36Å; T95-F141 PolarHBondContact OG1-N 2.6Å; T95-F141 VanDerWaalsContact OG1-N 3.13Å; R98-F141 HydrophobicContact CB-CD2 4.5Å; R98-F141 HydrophobicContact CB-CE2 4.41Å; G137-F141 WeakPolarHBondContact O-CB 3.33Å; G137-F141 PolarHBondContact O-N 3.36Å; V138-F141 PolarHBondContact O-N 3Å; L139-F141 VanDerWaalsContact C-N 3.34Å; L139-F141 PolarHBondContact O-N 2.67Å; F141-A144 PolarHBondContact O-N 3.17Å; F141-S145 VanDerWaalsContact CE2-OG 3.29Å; F141-S145 WeakPolarHBondContact CE2-OG 3.46Å; F141-S145 WeakPolarHBondContact CZ-OG 3.49Å; F141-S145 VanDerWaalsContact O-CB 3.25Å; F141-S145 WeakPolarHBondContact O-CB 3.32Å; F141-S145 PolarHBondContact O-N 3.38Å; F141-S145 PolarHBondContact O-OG 3.4Å
142L98Very high96.4Very high23 Ų2323.8 Ų23.812%0.1213%0.128CC..Hα-helixtrans-67.1-40.2177.7-71173.3000111.4V138 L139 S145 F146 I158 W161 C165V138-L142 HydrophobicContact CG1-CD1 3.73Å; V138-L142 HydrophobicContact CG1-CG 4.17Å; V138-L142 WeakPolarHBondContact O-CB 3.3Å; V138-L142 VanDerWaalsContact O-CG 3.24Å; V138-L142 WeakPolarHBondContact O-CG 3.47Å; V138-L142 PolarHBondContact O-N 3.16Å; L139-L142 PolarHBondContact O-N 3.23Å; L142-S145 PolarHBondContact O-N 3.21Å; L142-F146 VanDerWaalsContact O-CB 3.29Å; L142-F146 WeakPolarHBondContact O-CB 3.37Å; L142-F146 PolarHBondContact O-N 2.66Å; L142-I158 HydrophobicContact CB-CG2 4.3Å; L142-I158 HydrophobicContact CD2-CG2 4.08Å; L142-I158 VanDerWaalsContact O-CG2 3.3Å; L142-I158 WeakPolarHBondContact O-CG2 3.33Å; L142-W161 HydrophobicContact CD1-CB 4.47Å; L142-W161 HydrophobicContact CD2-CB 4.24Å; L142-C165 HydrophobicContact CD1-CB 4.25Å
143T97.3Very high96.2Very high6 Ų631 Ų314%0.03716%0.155CC..Hα-helixtrans-61.4-48173.7-71.90000111.5L139 F140 S145 F146 H147 W186 V303 L306L139-T143 VanDerWaalsContact O-CB 3.28Å; L139-T143 WeakPolarHBondContact O-CB 3.4Å; L139-T143 PolarHBondContact O-N 3.34Å; L139-T143 PolarHBondContact O-OG1 3Å; L139-T143 VanDerWaalsContact O-OG1 3.05Å; F140-T143 PolarHBondContact O-N 3.29Å; T143-S145 VanDerWaalsContact C-N 3.32Å; T143-S145 PolarHBondContact O-N 2.98Å; T143-F146 PolarHBondContact O-N 3.22Å; T143-H147 PolarHBondContact O-N 3.1Å; T143-W186 HydrophobicContact CG2-CH2 4.26Å; T143-W186 HydrophobicContact CG2-CZ3 4Å; T143-V303 HydrophobicContact CG2-CG1 4.21Å; T143-V303 HydrophobicContact CG2-CG2 4.5Å; T143-L306 HydrophobicContact CG2-CD2 3.56Å
144A96.3Very high96Very high0 Ų033.7 Ų33.70%017%0.168CC..Hα-helixtrans-60.1-43.7174.400000111.5T95 R98 L99 F140 F141 F146 H147 C148T95-A144 HydrophobicContact CG2-CB 4.05Å; R98-A144 HydrophobicContact CB-CB 4.31Å; R98-A144 HydrophobicContact CG-CB 4.21Å; L99-A144 HydrophobicContact CD1-CB 4.17Å; L99-A144 HydrophobicContact CD2-CB 3.84Å; L99-A144 HydrophobicContact CG-CB 3.8Å; F140-A144 WeakPolarHBondContact O-CB 3.48Å; F140-A144 PolarHBondContact O-N 3.45Å; F141-A144 PolarHBondContact O-N 3.17Å; A144-F146 PolarHBondContact O-N 3.41Å; A144-H147 PolarHBondContact O-N 3.39Å; A144-C148 WeakPolarHBondContact O-CB 3.25Å; A144-C148 PolarHBondContact O-N 3.13Å; A144-C148 PolarHBondContact O-SG 3.43Å; A144-C148 VanDerWaalsContact O-SG 3.34Å
145S95.8Very high95.9Very high9 Ų933.9 Ų33.96%0.06317%0.166CC..Hα-helixtrans-66.1-38.2178.9-65.50000112.8F141 L142 T143 C148 A149 I158F141-S145 VanDerWaalsContact CE2-OG 3.29Å; F141-S145 WeakPolarHBondContact CE2-OG 3.46Å; F141-S145 WeakPolarHBondContact CZ-OG 3.49Å; F141-S145 VanDerWaalsContact O-CB 3.25Å; F141-S145 WeakPolarHBondContact O-CB 3.32Å; F141-S145 PolarHBondContact O-N 3.38Å; F141-S145 PolarHBondContact O-OG 3.4Å; L142-S145 PolarHBondContact O-N 3.21Å; T143-S145 VanDerWaalsContact C-N 3.32Å; T143-S145 PolarHBondContact O-N 2.98Å; S145-C148 CarbonylContact O-C 3.57Å; S145-C148 PolarHBondContact O-N 3.33Å; S145-A149 WeakPolarHBondContact O-CB 3.43Å; S145-A149 PolarHBondContact O-N 3.11Å; S145-I158 WeakPolarHBondContact O-CD1 3.49Å
146F96.4Very high95.7Very high4 Ų439.5 Ų39.52%0.01819%0.187CC..Hα-helixtrans-64.3-43.4176.2179.7-91.6000110.8L142 T143 A144 A149 R155 I158 A159 W186 V187 R190 L191L142-F146 VanDerWaalsContact O-CB 3.29Å; L142-F146 WeakPolarHBondContact O-CB 3.37Å; L142-F146 PolarHBondContact O-N 2.66Å; T143-F146 PolarHBondContact O-N 3.22Å; A144-F146 PolarHBondContact O-N 3.41Å; F146-A149 WeakPolarHBondContact O-CB 3.48Å; F146-A149 PolarHBondContact O-N 3.4Å; F146-R155 HydrophobicContact CD2-CB 4.31Å; F146-R155 HydrophobicContact CD2-CG 4.5Å; F146-R155 WeakPolarHBondContact CD2-O 3.1Å; F146-R155 HydrophobicContact CE2-CB 3.92Å; F146-R155 HydrophobicContact CE2-CG 4.29Å; F146-I158 HydrophobicContact CB-CG2 3.81Å; F146-I158 HydrophobicContact CD2-CG2 4.49Å; F146-A159 HydrophobicContact CD2-CB 4.31Å; F146-A159 HydrophobicContact CE2-CB 4.09Å; F146-W186 AromaticContact CD1-CH2 3.81Å; F146-W186 HydrophobicContact CD1-CH2 3.81Å; F146-W186 AromaticContact CD1-CZ3 3.65Å; F146-W186 HydrophobicContact CD1-CZ3 3.65Å; F146-W186 HydrophobicContact CE1-CH2 4.4Å; F146-W186 HydrophobicContact CE1-CZ3 4.19Å; F146-V187 HydrophobicContact CD1-CG2 4.4Å; F146-V187 HydrophobicContact CE1-CG1 4.33Å; F146-V187 HydrophobicContact CE1-CG2 4.36Å; F146-V187 HydrophobicContact CE2-CG1 4.01Å; F146-V187 HydrophobicContact CZ-CG1 3.85Å; F146-R190 HydrophobicContact CE1-CB 3.96Å; F146-R190 HydrophobicContact CZ-CB 4.42Å; F146-L191 HydrophobicContact CE2-CD2 4.06Å; F146-L191 HydrophobicContact CE2-CG 4.4Å; F146-L191 HydrophobicContact CZ-CD2 3.9Å; F146-L191 HydrophobicContact CZ-CG 3.98Å
147H94.6Very high95.7Very high33 Ų3344.3 Ų44.315%0.15321%0.208CC..Hα-helixtrans-63.2-42.1175.8-179.265.4000112.3T143 A144 A149 W186 R190 T299 V303T143-H147 PolarHBondContact O-N 3.1Å; A144-H147 PolarHBondContact O-N 3.39Å; H147-A149 VanDerWaalsContact C-N 3.31Å; H147-A149 PolarHBondContact O-N 3.4Å; H147-W186 HydrophobicContact CB-CH2 4.06Å; H147-W186 HydrophobicContact CB-CZ2 4.46Å; H147-R190 PolarHBondContact ND1-NH1 3.19Å; H147-R190 VanDerWaalsContact ND1-NH1 3.1Å; H147-R190 PolarHBondContact ND1-NH2 3.08Å; H147-T299 PolarHBondContact CD2-O 2.86Å; H147-T299 PolarHBondContact NE2-O 3.22Å; H147-V303 HydrophobicContact CB-CG2 3.62Å
148C93Very high95.6Very high35 Ų3545.6 Ų45.624%0.23622%0.215CC..THydrogen-bonded Turntrans-86.28.7-179.8-62.20000114.4R98 A144 S145R98-C148 PolarHBondContact NH2-O 2.71Å; A144-C148 WeakPolarHBondContact O-CB 3.25Å; A144-C148 PolarHBondContact O-N 3.13Å; A144-C148 PolarHBondContact O-SG 3.43Å; A144-C148 VanDerWaalsContact O-SG 3.34Å; S145-C148 CarbonylContact O-C 3.57Å; S145-C148 PolarHBondContact O-N 3.33Å
149A93.4Very high95.6Very high7 Ų744.3 Ų44.36%0.05821%0.208CC..  trans-78.2131.3-179.600000110.8S145 F146 H147 Q154 R155 I158S145-A149 WeakPolarHBondContact O-CB 3.43Å; S145-A149 PolarHBondContact O-N 3.11Å; F146-A149 WeakPolarHBondContact O-CB 3.48Å; F146-A149 PolarHBondContact O-N 3.4Å; H147-A149 VanDerWaalsContact C-N 3.31Å; H147-A149 PolarHBondContact O-N 3.4Å; A149-Q154 HydrophobicContact CB-CB 4.04Å; A149-R155 HydrophobicContact CB-CB 4.4Å; A149-R155 HydrophobicContact CB-CG 3.46Å; A149-R155 VanDerWaalsContact CB-CG 3.46Å; A149-R155 PolarHBondContact O-NH1 3.45Å; A149-I158 HydrophobicContact CB-CD1 4.02Å
150E90.8Very high95.6Very high124 Ų12446.2 Ų46.258%0.57922%0.217SC*.  trans-82.2-36.3-170.2-63.5179.7165.200111.9R155E150-R155 PolarHBondContact O-NH1 2.85Å; E150-R155 VanDerWaalsContact O-NH1 3.16Å
151N93.3Very high95.6Very high75 Ų7552.8 Ų52.840%0.40124%0.241SC..SBendtrans-129157.6-171.935.941000112.7W153 Q154 R155N151-W153 VanDerWaalsContact C-N 3.29Å; N151-W153 PolarHBondContact O-N 3.27Å; N151-Q154 PolarHBondContact O-N 3.33Å; N151-Q154 VanDerWaalsContact O-N 3.15Å; N151-Q154 WeakPolarHBondContact OD1-CB 3.35Å; N151-Q154 WeakPolarHBondContact OD1-CG 3.41Å; N151-Q154 PolarHBondContact OD1-NE2 2.99Å; N151-Q154 PolarHBondContact OD1-OE1 3.02Å; N151-R155 PolarHBondContact O-N 3.31Å; N151-R155 VanDerWaalsContact O-N 3.11Å
152S92.9Very high95.6Very high47 Ų4751.5 Ų51.533%0.32924%0.24SC..Hα-helixtrans-58.1-39.4-172.8-179.30000112.8Q154 R155 R156 E196S152-Q154 PolarHBondContact O-N 3.43Å; S152-R155 PolarHBondContact O-N 3.17Å; S152-R156 WeakPolarHBondContact O-CB 3.35Å; S152-R156 PolarHBondContact O-N 3.44Å; S152-E196 WeakPolarHBondContact CA-OE1 3.35Å; S152-E196 VanDerWaalsContact CB-CD 3.44Å; S152-E196 VanDerWaalsContact CB-OE1 3.23Å; S152-E196 WeakPolarHBondContact CB-OE1 3.29Å; S152-E196 PolarHBondContact OG-OE2 2.85Å
153W93.6Very high95.6Very high153 Ų15351.1 Ų51.158%0.5824%0.24SC*.Hα-helixtrans-61.2-44.2178.6-179.991.8000112.3N151 R156 K157N151-W153 VanDerWaalsContact C-N 3.29Å; N151-W153 PolarHBondContact O-N 3.27Å; W153-R156 PolarHBondContact O-N 2.97Å; W153-K157 HydrophobicContact CH2-CD 3.64Å; W153-K157 HydrophobicContact CZ2-CD 4.06Å; W153-K157 HydrophobicContact CZ3-CD 3.99Å; W153-K157 WeakPolarHBondContact O-CB 3.05Å; W153-K157 PolarHBondContact O-N 3.45Å
154Q94.8Very high95.7Very high60 Ų6054.1 Ų54.128%0.2825%0.252SS..Hα-helixtrans-64.1-47.4176.4-75.1176.43.500111.1A149 N151 S152 R156 K157 I158A149-Q154 HydrophobicContact CB-CB 4.04Å; N151-Q154 PolarHBondContact O-N 3.33Å; N151-Q154 VanDerWaalsContact O-N 3.15Å; N151-Q154 WeakPolarHBondContact OD1-CB 3.35Å; N151-Q154 WeakPolarHBondContact OD1-CG 3.41Å; N151-Q154 PolarHBondContact OD1-NE2 2.99Å; N151-Q154 PolarHBondContact OD1-OE1 3.02Å; S152-Q154 PolarHBondContact O-N 3.43Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; Q154-R156 PolarHBondContact O-N 3.21Å; Q154-K157 PolarHBondContact O-N 3.2Å; Q154-I158 WeakPolarHBondContact O-CD1 3.39Å; Q154-I158 VanDerWaalsContact O-CG1 3.25Å; Q154-I158 WeakPolarHBondContact O-CG1 3.29Å; Q154-I158 PolarHBondContact O-N 3.48Å
155R95.5Very high95.8Very high35 Ų3554.9 Ų54.913%0.13226%0.258CS..Hα-helixtrans-55.5-49.3176.7-79.3-175.2-73.4-91.56.1111.6F146 A149 E150 N151 S152 I158 A159 E196F146-R155 HydrophobicContact CD2-CB 4.31Å; F146-R155 HydrophobicContact CD2-CG 4.5Å; F146-R155 WeakPolarHBondContact CD2-O 3.1Å; F146-R155 HydrophobicContact CE2-CB 3.92Å; F146-R155 HydrophobicContact CE2-CG 4.29Å; A149-R155 HydrophobicContact CB-CB 4.4Å; A149-R155 HydrophobicContact CB-CG 3.46Å; A149-R155 VanDerWaalsContact CB-CG 3.46Å; A149-R155 PolarHBondContact O-NH1 3.45Å; E150-R155 PolarHBondContact O-NH1 2.85Å; E150-R155 VanDerWaalsContact O-NH1 3.16Å; N151-R155 PolarHBondContact O-N 3.31Å; N151-R155 VanDerWaalsContact O-N 3.11Å; S152-R155 PolarHBondContact O-N 3.17Å; R155-I158 PolarHBondContact O-N 3.32Å; R155-A159 WeakPolarHBondContact O-CB 3.24Å; R155-A159 PolarHBondContact O-N 3.24Å; R155-E196 IonicContact CZ-OE1 3.63Å; R155-E196 IonicContact CZ-OE2 3.89Å; R155-E196 IonicContact NE-OE1 3.81Å; R155-E196 PolarHBondContact NE-OE1 3.44Å; R155-E196 VanDerWaalsContact NE-OE1 3.17Å; R155-E196 IonicContact NE-OE2 2.75Å; R155-E196 PolarHBondContact NE-OE2 2.91Å; R155-E196 IonicContact NH2-OE1 2.76Å; R155-E196 PolarHBondContact NH2-OE1 3.32Å; R155-E196 IonicContact NH2-OE2 3.82Å
156R95.4Very high95.9Very high136 Ų13654.7 Ų54.751%0.51326%0.256SS..Hα-helixtrans-60.2-49.3177.7-171.9172.367-1691.8111.2S152 W153 Q154 I158 A159 H160S152-R156 WeakPolarHBondContact O-CB 3.35Å; S152-R156 PolarHBondContact O-N 3.44Å; W153-R156 PolarHBondContact O-N 2.97Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; Q154-R156 PolarHBondContact O-N 3.21Å; R156-I158 VanDerWaalsContact C-N 3.33Å; R156-I158 PolarHBondContact O-N 3.47Å; R156-A159 PolarHBondContact O-N 3Å; R156-H160 WeakPolarHBondContact CG-CE1 3.44Å; R156-H160 PolarHBondContact O-N 3.23Å; R156-H160 PolarHBondContact O-ND1 3.05Å
157K96.4Very high95.9Very high101 Ų10154.5 Ų54.544%0.43926%0.255SS..Hα-helixtrans-56.5-45.7178.2179.7178.4176.7-179.30111.9W153 Q154 H160 W161W153-K157 HydrophobicContact CH2-CD 3.64Å; W153-K157 HydrophobicContact CZ2-CD 4.06Å; W153-K157 HydrophobicContact CZ3-CD 3.99Å; W153-K157 WeakPolarHBondContact O-CB 3.05Å; W153-K157 PolarHBondContact O-N 3.45Å; Q154-K157 PolarHBondContact O-N 3.2Å; K157-H160 PolarHBondContact O-N 2.86Å; K157-W161 PolarHBondContact O-N 3.16Å; K157-W161 VanDerWaalsContact O-N 3.14Å
158I97.5Very high96.1Very high28 Ų2854.6 Ų54.614%0.14426%0.257CS..Hα-helixtrans-66.2-40.9179.3-64.9161.8000110.7L142 S145 F146 A149 Q154 R155 R156 H160 W161 G162L142-I158 HydrophobicContact CB-CG2 4.3Å; L142-I158 HydrophobicContact CD2-CG2 4.08Å; L142-I158 VanDerWaalsContact O-CG2 3.3Å; L142-I158 WeakPolarHBondContact O-CG2 3.33Å; S145-I158 WeakPolarHBondContact O-CD1 3.49Å; F146-I158 HydrophobicContact CB-CG2 3.81Å; F146-I158 HydrophobicContact CD2-CG2 4.49Å; A149-I158 HydrophobicContact CB-CD1 4.02Å; Q154-I158 WeakPolarHBondContact O-CD1 3.39Å; Q154-I158 VanDerWaalsContact O-CG1 3.25Å; Q154-I158 WeakPolarHBondContact O-CG1 3.29Å; Q154-I158 PolarHBondContact O-N 3.48Å; R155-I158 PolarHBondContact O-N 3.32Å; R156-I158 VanDerWaalsContact C-N 3.33Å; R156-I158 PolarHBondContact O-N 3.47Å; I158-H160 VanDerWaalsContact C-N 3.3Å; I158-H160 PolarHBondContact O-N 3.45Å; I158-W161 PolarHBondContact O-N 3.07Å; I158-G162 PolarHBondContact O-N 2.87Å
159A97.7Very high96.3Very high10 Ų1053 Ų538%0.08325%0.246CC..Hα-helixtrans-62-35.4175.800000112.7F146 R155 R156 G162 A163 V187 L205F146-A159 HydrophobicContact CD2-CB 4.31Å; F146-A159 HydrophobicContact CE2-CB 4.09Å; R155-A159 WeakPolarHBondContact O-CB 3.24Å; R155-A159 PolarHBondContact O-N 3.24Å; R156-A159 PolarHBondContact O-N 3Å; A159-G162 PolarHBondContact O-N 3.27Å; A159-A163 WeakPolarHBondContact O-CB 3.41Å; A159-A163 PolarHBondContact O-N 2.94Å; A159-V187 HydrophobicContact CB-CG1 4.29Å; A159-L205 HydrophobicContact CB-CD2 3.86Å; A159-L205 WeakPolarHBondContact O-CD2 3.41Å
160H98.2Very high96.5Very high43 Ų4353.6 Ų53.620%0.19925%0.248CC..Hα-helixtrans-68-44.7175.7-72.758.9000111.8R156 K157 I158 G162 A163 F164 T204 C208R156-H160 WeakPolarHBondContact CG-CE1 3.44Å; R156-H160 PolarHBondContact O-N 3.23Å; R156-H160 PolarHBondContact O-ND1 3.05Å; K157-H160 PolarHBondContact O-N 2.86Å; I158-H160 VanDerWaalsContact C-N 3.3Å; I158-H160 PolarHBondContact O-N 3.45Å; H160-G162 VanDerWaalsContact C-N 3.31Å; H160-G162 PolarHBondContact O-N 3.28Å; H160-A163 PolarHBondContact O-N 2.65Å; H160-F164 PolarHBondContact O-N 3.04Å; H160-T204 WeakPolarHBondContact NE2-CB 3.24Å; H160-T204 PolarHBondContact NE2-OG1 3.44Å; H160-C208 PolarHBondContact CD2-SG 3.21Å
161W98.3Very high96.8Very high139 Ų13947.7 Ų47.753%0.52722%0.221SC..Hα-helixtrans-61.4-40.9172.1-79.9113.1000111.8L142 K157 I158 F164 C165L142-W161 HydrophobicContact CD1-CB 4.47Å; L142-W161 HydrophobicContact CD2-CB 4.24Å; K157-W161 PolarHBondContact O-N 3.16Å; K157-W161 VanDerWaalsContact O-N 3.14Å; I158-W161 PolarHBondContact O-N 3.07Å; W161-F164 HydrophobicContact CE3-CD1 4.26Å; W161-F164 HydrophobicContact CZ3-CD1 4.22Å; W161-F164 PolarHBondContact O-N 3.06Å; W161-C165 WeakPolarHBondContact O-CB 3.45Å; W161-C165 PolarHBondContact O-N 3.09Å; W161-C165 PolarHBondContact O-SG 3.49Å
162G98.1Very high96.9Very high14 Ų1444.1 Ų44.114%0.14420%0.202CC..Hα-helixtrans-58.5-48.6173.600000112.1I158 A159 H160 F164 C165 C166I158-G162 PolarHBondContact O-N 2.87Å; A159-G162 PolarHBondContact O-N 3.27Å; H160-G162 VanDerWaalsContact C-N 3.31Å; H160-G162 PolarHBondContact O-N 3.28Å; G162-F164 PolarHBondContact O-N 2.95Å; G162-C165 PolarHBondContact O-N 3.2Å; G162-C166 PolarHBondContact O-N 2.83Å; G162-C166 PolarHBondContact O-SG 3Å
163A98.4Very high96.9Very high15 Ų1542.2 Ų42.212%0.12419%0.188CC..Hα-helixtrans-60-44.9177.600000112.2A159 H160 C166 G167 L205 C208 F209A159-A163 WeakPolarHBondContact O-CB 3.41Å; A159-A163 PolarHBondContact O-N 2.94Å; H160-A163 PolarHBondContact O-N 2.65Å; A163-C166 PolarHBondContact O-N 3.46Å; A163-G167 PolarHBondContact O-N 2.9Å; A163-G167 VanDerWaalsContact O-N 3.12Å; A163-L205 HydrophobicContact CB-CB 4.49Å; A163-L205 HydrophobicContact CB-CD2 4.2Å; A163-L205 WeakPolarHBondContact CB-O 3.44Å; A163-C208 HydrophobicContact CB-CB 3.99Å; A163-F209 HydrophobicContact CB-CB 4.45Å; A163-F209 WeakPolarHBondContact O-CA 3.5Å
164F98.7Very high96.9Very high68 Ų6837.1 Ų37.130%0.29817%0.17SC..Hα-helixtrans-60-47.3174.1178.2-96.1000112.1H160 W161 G162 C166 G167 L168 C208 A211 G212H160-F164 PolarHBondContact O-N 3.04Å; W161-F164 HydrophobicContact CE3-CD1 4.26Å; W161-F164 HydrophobicContact CZ3-CD1 4.22Å; W161-F164 PolarHBondContact O-N 3.06Å; G162-F164 PolarHBondContact O-N 2.95Å; F164-C166 VanDerWaalsContact C-N 3.34Å; F164-C166 PolarHBondContact O-N 3.13Å; F164-G167 PolarHBondContact O-N 2.92Å; F164-L168 HydrophobicContact CE1-CD2 3.92Å; F164-L168 HydrophobicContact CZ-CD2 4.3Å; F164-L168 WeakPolarHBondContact O-CB 3.47Å; F164-L168 PolarHBondContact O-N 3.31Å; F164-C208 WeakPolarHBondContact CA-O 3.47Å; F164-C208 HydrophobicContact CB-CB 4.45Å; F164-A211 HydrophobicContact CD2-CB 4.22Å; F164-A211 HydrophobicContact CE2-CB 4.4Å; F164-G212 WeakPolarHBondContact O-CA 3.38Å
165C98.3Very high96.8Very high16 Ų1635.4 Ų35.411%0.10816%0.164CC..Hα-helixtrans-63.4-36177.3-710000112.9L139 L142 W161 G162 G169L139-C165 HydrophobicContact CD2-CB 4.1Å; L142-C165 HydrophobicContact CD1-CB 4.25Å; W161-C165 WeakPolarHBondContact O-CB 3.45Å; W161-C165 PolarHBondContact O-N 3.09Å; W161-C165 PolarHBondContact O-SG 3.49Å; G162-C165 PolarHBondContact O-N 3.2Å; C165-G169 PolarHBondContact O-N 2.95Å
166C98Very high96.8Very high5 Ų533.8 Ų33.83%0.03416%0.158CC..Hα-helixtrans-62.1-46.1173.9-68.60000111.4G162 A163 F164 L170 V180 F209G162-C166 PolarHBondContact O-N 2.83Å; G162-C166 PolarHBondContact O-SG 3Å; A163-C166 PolarHBondContact O-N 3.46Å; F164-C166 VanDerWaalsContact C-N 3.34Å; F164-C166 PolarHBondContact O-N 3.13Å; C166-L170 VanDerWaalsContact O-CG 3.3Å; C166-L170 WeakPolarHBondContact O-CG 3.48Å; C166-L170 PolarHBondContact O-N 3.45Å; C166-V180 HydrophobicContact CB-CG1 4.22Å; C166-V180 HydrophobicContact CB-CG2 4.05Å; C166-F209 HydrophobicContact CB-CD2 4.03Å; C166-F209 HydrophobicContact CB-CE2 4.14Å
167G97.7Very high96.8Very high0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-62.5-47.7176.800000111.9A163 F164 L170 C171 G212A163-G167 PolarHBondContact O-N 2.9Å; A163-G167 VanDerWaalsContact O-N 3.12Å; F164-G167 PolarHBondContact O-N 2.92Å; G167-L170 PolarHBondContact O-N 2.98Å; G167-C171 PolarHBondContact O-N 3.49Å; G167-C171 PolarHBondContact O-SG 2.91Å; G167-G212 VanDerWaalsContact C-C 3.48Å; G167-G212 CarbonylContact C-O 3.56Å
168L98.1Very high96.7Very high36 Ų3625.8 Ų25.819%0.18813%0.132CC..Hα-helixtrans-67-38.6-178.7-171.564.8000112.9V56 F135 F164 L170 C171 G212 P215V56-L168 HydrophobicContact CG1-CD1 4.41Å; V56-L168 HydrophobicContact CG2-CD1 3.53Å; V56-L168 HydrophobicContact CG2-CG 4.31Å; F135-L168 HydrophobicContact CE1-CB 4.23Å; F135-L168 HydrophobicContact CE1-CD2 3.86Å; F135-L168 HydrophobicContact CE1-CG 3.87Å; F135-L168 HydrophobicContact CZ-CB 4.46Å; F135-L168 HydrophobicContact CZ-CD2 4.04Å; F135-L168 HydrophobicContact CZ-CG 3.78Å; F164-L168 HydrophobicContact CE1-CD2 3.92Å; F164-L168 HydrophobicContact CZ-CD2 4.3Å; F164-L168 WeakPolarHBondContact O-CB 3.47Å; F164-L168 PolarHBondContact O-N 3.31Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L168-C171 VanDerWaalsContact O-CB 3.28Å; L168-C171 WeakPolarHBondContact O-CB 3.4Å; L168-C171 PolarHBondContact O-N 3.34Å; L168-G212 WeakPolarHBondContact CA-O 3.4Å; L168-G212 WeakPolarHBondContact CD1-O 3.37Å; L168-G212 PolarHBondContact N-O 3.42Å; L168-P215 HydrophobicContact CD1-CG 3.77Å
169G97.5Very high96.7Very high1 Ų124.4 Ų24.41%0.0113%0.125CC..Hα-helixtrans-68.9-31.9177.700000113.1C165 C171 N172 Q173 L176C165-G169 PolarHBondContact O-N 2.95Å; G169-C171 PolarHBondContact O-N 2.78Å; G169-N172 WeakPolarHBondContact O-CB 3.37Å; G169-N172 PolarHBondContact O-N 3.04Å; G169-Q173 PolarHBondContact O-N 3.5Å; G169-L176 VanDerWaalsContact C-CD2 3.42Å; G169-L176 VanDerWaalsContact CA-CD2 3.45Å
170L96.5Very high96.6Very high19 Ų1924.3 Ų24.310%0.09912%0.123CC..Hα-helixtrans-68.5-23.8172-72.5171.4000112.6C166 G167 L168 N172 H174 L176 V177 F209 F213 Y216C166-L170 VanDerWaalsContact O-CG 3.3Å; C166-L170 WeakPolarHBondContact O-CG 3.48Å; C166-L170 PolarHBondContact O-N 3.45Å; G167-L170 PolarHBondContact O-N 2.98Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.31Å; L170-H174 PolarHBondContact O-CD2 3.24Å; L170-L176 HydrophobicContact CD2-CB 4.27Å; L170-V177 HydrophobicContact CD2-CB 3.96Å; L170-F209 HydrophobicContact CD1-CE2 3.78Å; L170-F209 HydrophobicContact CD1-CZ 3.7Å; L170-F213 HydrophobicContact CB-CD2 4.28Å; L170-F213 HydrophobicContact CB-CE2 4.11Å; L170-Y216 PolarHBondContact O-OH 3.44Å; L170-Y216 VanDerWaalsContact O-OH 3.11Å
171C97.1Very high96.5Very high0 Ų027.7 Ų27.70%014%0.142CC..THydrogen-bonded Turntrans-73.1-6.9168.1-62.90000113.7Y54 P55 V56 G167 L168 G169 F213 P215 Y216Y54-C171 CarbonylContact C-O 3.55Å; P55-C171 WeakPolarHBondContact CD-O 3.28Å; P55-C171 HydrophobicContact CG-CB 4.04Å; P55-C171 WeakPolarHBondContact CG-O 3.34Å; V56-C171 HydrophobicContact CG2-CB 3.48Å; V56-C171 VanDerWaalsContact CG2-CB 3.48Å; G167-C171 PolarHBondContact O-N 3.49Å; G167-C171 PolarHBondContact O-SG 2.91Å; L168-C171 VanDerWaalsContact O-CB 3.28Å; L168-C171 WeakPolarHBondContact O-CB 3.4Å; L168-C171 PolarHBondContact O-N 3.34Å; G169-C171 PolarHBondContact O-N 2.78Å; C171-F213 VanDerWaalsContact SG-CA 3.58Å; C171-F213 PolarHBondContact SG-O 3.41Å; C171-F213 VanDerWaalsContact SG-O 3.39Å; C171-P215 HydrophobicContact CB-CB 4.36Å; C171-Y216 HydrophobicContact CB-CD2 4.2Å; C171-Y216 HydrophobicContact CB-CE2 4.05Å; C171-Y216 WeakPolarHBondContact SG-CD2 3.39Å
172N96.3Very high96.5Very high0 Ų022.6 Ų22.60%013%0.125CC..THydrogen-bonded Turntrans-102.5-63.6169.6-176.864.2000110.3Y54 V128 L131 S132 F135 G169 L170Y54-N172 WeakPolarHBondContact CD1-O 3.49Å; Y54-N172 VanDerWaalsContact CE1-O 3.3Å; Y54-N172 WeakPolarHBondContact CE1-O 3.41Å; V128-N172 PolarHBondContact O-ND2 3.45Å; L131-N172 HydrophobicContact CD2-CB 4.32Å; L131-N172 WeakPolarHBondContact CD2-OD1 3.5Å; L131-N172 HydrophobicContact CG-CB 4.47Å; S132-N172 PolarHBondContact N-ND2 3.09Å; S132-N172 VanDerWaalsContact N-ND2 3.2Å; F135-N172 HydrophobicContact CD2-CB 4.17Å; F135-N172 HydrophobicContact CE2-CB 3.84Å; G169-N172 WeakPolarHBondContact O-CB 3.37Å; G169-N172 PolarHBondContact O-N 3.04Å; L170-N172 PolarHBondContact O-N 3.31Å
173Q93.2Very high96.4Very high8 Ų822.5 Ų22.54%0.03712%0.121CC..  trans-140125.5-175.1-161.1-178.64.200111.5S132 G169 T175 L176S132-Q173 PolarHBondContact OG-OE1 3.05Å; G169-Q173 PolarHBondContact O-N 3.5Å; Q173-T175 VanDerWaalsContact CD-OG1 3.27Å; Q173-T175 HydrophobicContact CG-CG2 4.06Å; Q173-T175 WeakPolarHBondContact CG-OG1 3.34Å; Q173-T175 PolarHBondContact NE2-OG1 3.4Å; Q173-T175 PolarHBondContact O-N 3.44Å; Q173-L176 VanDerWaalsContact O-CB 3.3Å; Q173-L176 WeakPolarHBondContact O-CB 3.24Å; Q173-L176 PolarHBondContact O-N 2.94Å
174H93Very high96.3Very high46 Ų4625.3 Ų25.321%0.21313%0.133CC..G310 helixtrans-66.6-22.3-176.3-74.1-178.6000114.5P52 L170 L176 V177 Y216 L245P52-H174 WeakPolarHBondContact CB-CE1 3.26Å; L170-H174 PolarHBondContact O-CD2 3.24Å; H174-L176 PolarHBondContact O-N 3.18Å; H174-L176 VanDerWaalsContact O-N 3.1Å; H174-V177 VanDerWaalsContact O-CB 3.25Å; H174-V177 WeakPolarHBondContact O-CB 3.2Å; H174-V177 WeakPolarHBondContact O-CG1 3.4Å; H174-V177 PolarHBondContact O-N 3.3Å; H174-Y216 AromaticContact NE2-CZ 3.74Å; H174-Y216 PolarHBondContact NE2-OH 2.88Å; H174-L245 PolarHBondContact CE1-O 3.17Å; H174-L245 PolarHBondContact ND1-O 2.98Å
175T92.5Very high96.2Very high23 Ų2325.6 Ų25.614%0.14114%0.141CC..G310 helixtrans-59.5-25.1179.663.30000112.1Q173 V177 L178 F318 F338 Q341Q173-T175 VanDerWaalsContact CD-OG1 3.27Å; Q173-T175 HydrophobicContact CG-CG2 4.06Å; Q173-T175 WeakPolarHBondContact CG-OG1 3.34Å; Q173-T175 PolarHBondContact NE2-OG1 3.4Å; Q173-T175 PolarHBondContact O-N 3.44Å; T175-V177 PolarHBondContact O-N 3.31Å; T175-V177 VanDerWaalsContact O-N 3.1Å; T175-L178 WeakPolarHBondContact O-CB 3.49Å; T175-L178 PolarHBondContact O-N 2.7Å; T175-L178 VanDerWaalsContact O-N 3.16Å; T175-F318 HydrophobicContact CG2-CE1 4.48Å; T175-F318 HydrophobicContact CG2-CE2 4.25Å; T175-F318 HydrophobicContact CG2-CZ 3.51Å; T175-F338 HydrophobicContact CG2-CD1 4.38Å; T175-F338 HydrophobicContact CG2-CE1 4.34Å; T175-Q341 PolarHBondContact OG1-NE2 2.78Å
176L95.3Very high96.2Very high1 Ų126.4 Ų26.41%0.00514%0.142CC..G310 helixtrans-53.2-28.6171.3-171.265.8000113.2I136 L139 G169 L170 Q173 H174 L178 Y179 V180I136-L176 HydrophobicContact CD1-CD1 3.26Å; I136-L176 HydrophobicContact CG1-CD1 4.05Å; L139-L176 HydrophobicContact CD1-CD1 3.65Å; L139-L176 HydrophobicContact CD1-CD2 4.38Å; L139-L176 HydrophobicContact CD1-CG 4.25Å; G169-L176 VanDerWaalsContact C-CD2 3.42Å; G169-L176 VanDerWaalsContact CA-CD2 3.45Å; L170-L176 HydrophobicContact CD2-CB 4.27Å; Q173-L176 VanDerWaalsContact O-CB 3.3Å; Q173-L176 WeakPolarHBondContact O-CB 3.24Å; Q173-L176 PolarHBondContact O-N 2.94Å; H174-L176 PolarHBondContact O-N 3.18Å; H174-L176 VanDerWaalsContact O-N 3.1Å; L176-L178 PolarHBondContact O-N 3.12Å; L176-L178 VanDerWaalsContact O-N 3.12Å; L176-Y179 PolarHBondContact O-N 2.66Å; L176-V180 HydrophobicContact CG-CG2 4.07Å; L176-V180 WeakPolarHBondContact O-CG2 3.05Å; L176-V180 PolarHBondContact O-N 3.14Å; L176-V180 VanDerWaalsContact O-N 3.09Å
177V95.4Very high96.1Very high57 Ų5727 Ų2735%0.34515%0.146SC..Hα-helixtrans-54.5-33.6179.877.20000111.8L170 H174 T175 Y179 V180 L181L170-V177 HydrophobicContact CD2-CB 3.96Å; H174-V177 VanDerWaalsContact O-CB 3.25Å; H174-V177 WeakPolarHBondContact O-CB 3.2Å; H174-V177 WeakPolarHBondContact O-CG1 3.4Å; H174-V177 PolarHBondContact O-N 3.3Å; T175-V177 PolarHBondContact O-N 3.31Å; T175-V177 VanDerWaalsContact O-N 3.1Å; V177-Y179 VanDerWaalsContact C-N 3.27Å; V177-Y179 PolarHBondContact O-N 3.49Å; V177-V180 PolarHBondContact O-N 2.99Å; V177-L181 HydrophobicContact CG2-CD1 4.23Å; V177-L181 HydrophobicContact CG2-CG 4.16Å; V177-L181 WeakPolarHBondContact O-CB 3.41Å; V177-L181 WeakPolarHBondContact O-CG 3.35Å; V177-L181 PolarHBondContact O-N 3.38Å
178L95.6Very high96Very high12 Ų1229.4 Ų29.46%0.06316%0.159CC..Hα-helixtrans-63.8-33-179.4-60.7175.2000112.2T175 L176 I182 Y314 F317 F318T175-L178 WeakPolarHBondContact O-CB 3.49Å; T175-L178 PolarHBondContact O-N 2.7Å; T175-L178 VanDerWaalsContact O-N 3.16Å; L176-L178 PolarHBondContact O-N 3.12Å; L176-L178 VanDerWaalsContact O-N 3.12Å; L178-I182 WeakPolarHBondContact O-CD1 3.24Å; L178-I182 WeakPolarHBondContact O-CG1 3.38Å; L178-Y314 HydrophobicContact CB-CD2 4.12Å; L178-Y314 HydrophobicContact CD1-CD2 3.65Å; L178-Y314 HydrophobicContact CD1-CE2 4.12Å; L178-Y314 HydrophobicContact CD1-CG 4.28Å; L178-F317 HydrophobicContact CD1-CB 4.11Å; L178-F317 HydrophobicContact CD1-CD1 3.52Å; L178-F317 HydrophobicContact CD1-CE1 4.2Å; L178-F317 HydrophobicContact CD1-CG 3.98Å; L178-F317 HydrophobicContact CD2-CB 4.24Å; L178-F317 HydrophobicContact CD2-CD1 3.89Å; L178-F317 HydrophobicContact CD2-CD2 4.07Å; L178-F317 HydrophobicContact CD2-CE1 4.24Å; L178-F317 HydrophobicContact CD2-CE2 4.41Å; L178-F317 HydrophobicContact CD2-CG 3.79Å; L178-F317 HydrophobicContact CD2-CZ 4.49Å; L178-F317 HydrophobicContact CG-CD1 4.32Å; L178-F318 HydrophobicContact CD1-CD2 4.03Å; L178-F318 HydrophobicContact CD1-CE2 3.73Å
179Y96.8Very high96Very high0 Ų034.9 Ų34.90%018%0.178CC..Hα-helixtrans-81-42174.2-77.115.6000111I136 F140 L176 V177 L181 I182 I183 M310 Y314 Q341I136-Y179 HydrophobicContact CD1-CD2 3.38Å; I136-Y179 HydrophobicContact CD1-CE2 3.64Å; I136-Y179 HydrophobicContact CD1-CG 4.23Å; I136-Y179 HydrophobicContact CG2-CD2 4.35Å; I136-Y179 HydrophobicContact CG2-CE2 3.92Å; F140-Y179 AromaticContact CE1-CD2 3.81Å; F140-Y179 HydrophobicContact CE1-CD2 3.81Å; F140-Y179 AromaticContact CE1-CE2 3.56Å; F140-Y179 HydrophobicContact CE1-CE2 3.56Å; F140-Y179 HydrophobicContact CZ-CD2 4.32Å; F140-Y179 AromaticContact CZ-CE2 3.6Å; F140-Y179 HydrophobicContact CZ-CE2 3.6Å; L176-Y179 PolarHBondContact O-N 2.66Å; V177-Y179 VanDerWaalsContact C-N 3.27Å; V177-Y179 PolarHBondContact O-N 3.49Å; Y179-L181 VanDerWaalsContact C-N 3.27Å; Y179-L181 PolarHBondContact O-N 3.25Å; Y179-I182 PolarHBondContact O-N 3.01Å; Y179-I183 WeakPolarHBondContact O-CG1 3.05Å; Y179-I183 PolarHBondContact O-N 3.03Å; Y179-M310 HydrophobicContact CD1-CB 3.72Å; Y179-M310 HydrophobicContact CD1-CG 4.01Å; Y179-M310 HydrophobicContact CD2-CG 4.49Å; Y179-M310 HydrophobicContact CD2-SD 4.31Å; Y179-M310 HydrophobicContact CE1-CB 3.6Å; Y179-M310 HydrophobicContact CE1-CG 4.37Å; Y179-M310 WeakPolarHBondContact CE1-O 3.48Å; Y179-M310 HydrophobicContact CE2-CB 4.4Å; Y179-M310 HydrophobicContact CG-CB 4.19Å; Y179-M310 HydrophobicContact CG-CG 4.08Å; Y179-M310 HydrophobicContact CG-SD 4.41Å; Y179-Y314 HydrophobicContact CD1-CD2 4.32Å; Y179-Y314 AromaticContact CE1-CD2 3.88Å; Y179-Y314 HydrophobicContact CE1-CD2 3.88Å; Y179-Y314 HydrophobicContact CE1-CG 4.01Å; Y179-Q341 VanDerWaalsContact OH-C 3.3Å; Y179-Q341 PolarHBondContact OH-O 3.28Å
180V96.1Very high95.8Very high8 Ų837.7 Ų37.75%0.04819%0.188CC..Hα-helixtrans-59.5-39.1-179.9174.90000111.4L139 C166 L176 V177 I182 I183 I184L139-V180 HydrophobicContact CD1-CG2 4.44Å; C166-V180 HydrophobicContact CB-CG1 4.22Å; C166-V180 HydrophobicContact CB-CG2 4.05Å; L176-V180 HydrophobicContact CG-CG2 4.07Å; L176-V180 WeakPolarHBondContact O-CG2 3.05Å; L176-V180 PolarHBondContact O-N 3.14Å; L176-V180 VanDerWaalsContact O-N 3.09Å; V177-V180 PolarHBondContact O-N 2.99Å; V180-I182 PolarHBondContact O-N 3.31Å; V180-I182 VanDerWaalsContact O-N 3.16Å; V180-I183 PolarHBondContact O-N 3.06Å; V180-I184 HydrophobicContact CG1-CD1 3.34Å; V180-I184 HydrophobicContact CG1-CG1 3.86Å; V180-I184 WeakPolarHBondContact O-CB 3.43Å; V180-I184 WeakPolarHBondContact O-CG1 3.44Å; V180-I184 PolarHBondContact O-N 2.83Å
181L96.1Very high95.7Very high113 Ų11337.3 Ų37.359%0.59219%0.186SC*.Hα-helixtrans-61.7-19.7176-74.5172.6000113.8V177 Y179 P185V177-L181 HydrophobicContact CG2-CD1 4.23Å; V177-L181 HydrophobicContact CG2-CG 4.16Å; V177-L181 WeakPolarHBondContact O-CB 3.41Å; V177-L181 WeakPolarHBondContact O-CG 3.35Å; V177-L181 PolarHBondContact O-N 3.38Å; Y179-L181 VanDerWaalsContact C-N 3.27Å; Y179-L181 PolarHBondContact O-N 3.25Å; L181-P185 WeakPolarHBondContact O-CD 3.43Å; L181-P185 WeakPolarHBondContact O-CG 3.47Å
182I97.3Very high95.7Very high32 Ų3244 Ų4416%0.16422%0.215CC..Hα-helixtrans-98.9-40.3178.3-55.6169.2000110.1L178 Y179 V180 W186 L306 A309 M310 V313L178-I182 WeakPolarHBondContact O-CD1 3.24Å; L178-I182 WeakPolarHBondContact O-CG1 3.38Å; Y179-I182 PolarHBondContact O-N 3.01Å; V180-I182 PolarHBondContact O-N 3.31Å; V180-I182 VanDerWaalsContact O-N 3.16Å; I182-W186 WeakPolarHBondContact O-CB 3.42Å; I182-W186 PolarHBondContact O-N 3.16Å; I182-L306 HydrophobicContact CG2-CD1 3.57Å; I182-L306 HydrophobicContact CG2-CG 4.49Å; I182-A309 HydrophobicContact CG2-CB 4.25Å; I182-M310 HydrophobicContact CB-CG 4.37Å; I182-M310 HydrophobicContact CD1-CB 4.34Å; I182-M310 HydrophobicContact CD1-CG 4Å; I182-M310 HydrophobicContact CG2-CG 4.39Å; I182-V313 HydrophobicContact CD1-CB 3.79Å; I182-V313 HydrophobicContact CD1-CG1 4.12Å; I182-V313 HydrophobicContact CD1-CG2 3.86Å
183I96.8Very high95.6Very high12 Ų1246.9 Ų46.96%0.06224%0.236CC..Hα-helixtrans-63.9-48.2178.5-64.2171.2000111.1L139 Y179 V180 W186 V187 M310L139-I183 HydrophobicContact CB-CD1 4.28Å; L139-I183 HydrophobicContact CD1-CD1 4.26Å; Y179-I183 WeakPolarHBondContact O-CG1 3.05Å; Y179-I183 PolarHBondContact O-N 3.03Å; V180-I183 PolarHBondContact O-N 3.06Å; I183-W186 PolarHBondContact O-N 3.11Å; I183-V187 HydrophobicContact CG2-CG2 3.85Å; I183-V187 WeakPolarHBondContact O-CG2 3.48Å; I183-V187 PolarHBondContact O-N 3.07Å; I183-M310 HydrophobicContact CB-CE 4.41Å; I183-M310 HydrophobicContact CD1-CE 3.46Å; I183-M310 VanDerWaalsContact CD1-CE 3.46Å; I183-M310 HydrophobicContact CG1-CE 3.02Å
184I96.5Very high95.6Very high74 Ų7450.2 Ų50.238%0.37925%0.253SS..Hα-helixtrans-60.3-53.6-172.4-70.9178000111.2V180 W186 V187 L188V180-I184 HydrophobicContact CG1-CD1 3.34Å; V180-I184 HydrophobicContact CG1-CG1 3.86Å; V180-I184 WeakPolarHBondContact O-CB 3.43Å; V180-I184 WeakPolarHBondContact O-CG1 3.44Å; V180-I184 PolarHBondContact O-N 2.83Å; I184-W186 VanDerWaalsContact C-N 3.27Å; I184-W186 PolarHBondContact O-N 2.86Å; I184-V187 PolarHBondContact O-N 3.26Å; I184-L188 HydrophobicContact CG2-CD1 3.75Å; I184-L188 HydrophobicContact CG2-CG 4.15Å; I184-L188 WeakPolarHBondContact O-CB 3.3Å; I184-L188 VanDerWaalsContact O-CG 3.3Å; I184-L188 WeakPolarHBondContact O-CG 3.36Å; I184-L188 PolarHBondContact O-N 3.39Å
185P97.2Very high95.6Very high74 Ų7457.5 Ų57.548%0.48128%0.284SS..Hα-helixtrans-58.3-39.6177.6-26.136.2000112.6L181 L188 Y189L181-P185 WeakPolarHBondContact O-CD 3.43Å; L181-P185 WeakPolarHBondContact O-CG 3.47Å; P185-L188 PolarHBondContact O-N 3.01Å; P185-Y189 WeakPolarHBondContact O-CB 3.3Å; P185-Y189 PolarHBondContact O-N 3.45Å
186W96.7Very high95.7Very high33 Ų3358.7 Ų58.713%0.12529%0.288CS..Hα-helixtrans-64.2-45.8177.7176.484.1000112.4T143 F146 H147 I182 I183 I184 Y189 R190 S302 L306T143-W186 HydrophobicContact CG2-CH2 4.26Å; T143-W186 HydrophobicContact CG2-CZ3 4Å; F146-W186 AromaticContact CD1-CH2 3.81Å; F146-W186 HydrophobicContact CD1-CH2 3.81Å; F146-W186 AromaticContact CD1-CZ3 3.65Å; F146-W186 HydrophobicContact CD1-CZ3 3.65Å; F146-W186 HydrophobicContact CE1-CH2 4.4Å; F146-W186 HydrophobicContact CE1-CZ3 4.19Å; H147-W186 HydrophobicContact CB-CH2 4.06Å; H147-W186 HydrophobicContact CB-CZ2 4.46Å; I182-W186 WeakPolarHBondContact O-CB 3.42Å; I182-W186 PolarHBondContact O-N 3.16Å; I183-W186 PolarHBondContact O-N 3.11Å; I184-W186 VanDerWaalsContact C-N 3.27Å; I184-W186 PolarHBondContact O-N 2.86Å; W186-Y189 PolarHBondContact O-N 3.25Å; W186-R190 HydrophobicContact CD2-CG 4.4Å; W186-R190 HydrophobicContact CZ2-CG 4.35Å; W186-R190 WeakPolarHBondContact O-CB 3.31Å; W186-R190 VanDerWaalsContact O-CG 3.24Å; W186-R190 WeakPolarHBondContact O-CG 3.36Å; W186-R190 PolarHBondContact O-N 3.19Å; W186-S302 WeakPolarHBondContact CZ2-OG 3.35Å; W186-S302 PolarHBondContact NE1-OG 3.39Å; W186-L306 HydrophobicContact CB-CD1 3.84Å; W186-L306 HydrophobicContact CD2-CD1 4.38Å; W186-L306 HydrophobicContact CD2-CD2 3.81Å; W186-L306 HydrophobicContact CE3-CD2 3.79Å; W186-L306 HydrophobicContact CG-CD1 3.87Å; W186-L306 HydrophobicContact CG-CD2 4.17Å; W186-L306 HydrophobicContact CZ3-CD2 4.23Å
187V96.6Very high95.6Very high19 Ų1961.2 Ų61.212%0.11530%0.302CS..Hα-helixtrans-61.9-47.9175.8169.70000110.7F146 A159 I183 I184 Y189 R190 L191F146-V187 HydrophobicContact CD1-CG2 4.4Å; F146-V187 HydrophobicContact CE1-CG1 4.33Å; F146-V187 HydrophobicContact CE1-CG2 4.36Å; F146-V187 HydrophobicContact CE2-CG1 4.01Å; F146-V187 HydrophobicContact CZ-CG1 3.85Å; A159-V187 HydrophobicContact CB-CG1 4.29Å; I183-V187 HydrophobicContact CG2-CG2 3.85Å; I183-V187 WeakPolarHBondContact O-CG2 3.48Å; I183-V187 PolarHBondContact O-N 3.07Å; I184-V187 PolarHBondContact O-N 3.26Å; V187-Y189 PolarHBondContact O-N 2.81Å; V187-R190 PolarHBondContact O-N 3.4Å; V187-L191 HydrophobicContact CG1-CD1 4.01Å; V187-L191 HydrophobicContact CG1-CG 4.41Å; V187-L191 WeakPolarHBondContact O-CG 3.39Å; V187-L191 PolarHBondContact O-N 3.29Å
188L96.6Very high95.6Very high50 Ų5061.6 Ų61.626%0.26231%0.306SS..Hα-helixtrans-63.7-42.6-179.5-68.2-178000111.8I184 P185 R190 L191 F192 L197 L202 L205I184-L188 HydrophobicContact CG2-CD1 3.75Å; I184-L188 HydrophobicContact CG2-CG 4.15Å; I184-L188 WeakPolarHBondContact O-CB 3.3Å; I184-L188 VanDerWaalsContact O-CG 3.3Å; I184-L188 WeakPolarHBondContact O-CG 3.36Å; I184-L188 PolarHBondContact O-N 3.39Å; P185-L188 PolarHBondContact O-N 3.01Å; L188-R190 PolarHBondContact O-N 2.92Å; L188-L191 PolarHBondContact O-N 3.28Å; L188-F192 VanDerWaalsContact O-CB 3.3Å; L188-F192 WeakPolarHBondContact O-CB 3.41Å; L188-F192 PolarHBondContact O-N 3.09Å; L188-L197 HydrophobicContact CD2-CD1 3.95Å; L188-L202 HydrophobicContact CD1-CD2 4.45Å; L188-L202 HydrophobicContact CD2-CD2 3.59Å; L188-L205 HydrophobicContact CD2-CD1 4.4Å
189Y96.2Very high95.5Very high151 Ų15169 Ų6959%0.59234%0.339SS*.Hα-helixtrans-59.2-46.5174175.2-102.1000111.1P185 W186 V187 L191 F192 S193P185-Y189 WeakPolarHBondContact O-CB 3.3Å; P185-Y189 PolarHBondContact O-N 3.45Å; W186-Y189 PolarHBondContact O-N 3.25Å; V187-Y189 PolarHBondContact O-N 2.81Å; Y189-L191 PolarHBondContact O-N 3.34Å; Y189-F192 WeakPolarHBondContact O-CB 3.36Å; Y189-F192 PolarHBondContact O-N 3.44Å; Y189-S193 PolarHBondContact O-N 2.87Å; Y189-S193 PolarHBondContact O-OG 3.4Å; Y189-S193 VanDerWaalsContact O-OG 3.05Å
190R94.3Very high95.5Very high59 Ų5974.9 Ų74.922%0.22337%0.369CS..Hα-helixtrans-62.9-43.8178-70.7-69.1-67.8-89.1-2.1112.3F146 H147 W186 V187 L188 F192 S193 L194F146-R190 HydrophobicContact CE1-CB 3.96Å; F146-R190 HydrophobicContact CZ-CB 4.42Å; H147-R190 PolarHBondContact ND1-NH1 3.19Å; H147-R190 VanDerWaalsContact ND1-NH1 3.1Å; H147-R190 PolarHBondContact ND1-NH2 3.08Å; W186-R190 HydrophobicContact CD2-CG 4.4Å; W186-R190 HydrophobicContact CZ2-CG 4.35Å; W186-R190 WeakPolarHBondContact O-CB 3.31Å; W186-R190 VanDerWaalsContact O-CG 3.24Å; W186-R190 WeakPolarHBondContact O-CG 3.36Å; W186-R190 PolarHBondContact O-N 3.19Å; V187-R190 PolarHBondContact O-N 3.4Å; L188-R190 PolarHBondContact O-N 2.92Å; R190-F192 VanDerWaalsContact C-N 3.3Å; R190-F192 PolarHBondContact O-N 3.33Å; R190-S193 PolarHBondContact O-N 2.74Å; R190-L194 WeakPolarHBondContact O-CB 3.44Å; R190-L194 VanDerWaalsContact O-CG 3.27Å; R190-L194 WeakPolarHBondContact O-CG 3.14Å; R190-L194 PolarHBondContact O-N 3.13Å
191L95.3Very high95.4Very high11 Ų1175.1 Ų75.16%0.05837%0.374CS..Hα-helixtrans-62.6-39.2175.1-69.2174.8000111.5F146 V187 L188 Y189 K195 E196 L197F146-L191 HydrophobicContact CE2-CD2 4.06Å; F146-L191 HydrophobicContact CE2-CG 4.4Å; F146-L191 HydrophobicContact CZ-CD2 3.9Å; F146-L191 HydrophobicContact CZ-CG 3.98Å; V187-L191 HydrophobicContact CG1-CD1 4.01Å; V187-L191 HydrophobicContact CG1-CG 4.41Å; V187-L191 WeakPolarHBondContact O-CG 3.39Å; V187-L191 PolarHBondContact O-N 3.29Å; L188-L191 PolarHBondContact O-N 3.28Å; Y189-L191 PolarHBondContact O-N 3.34Å; L191-K195 PolarHBondContact O-N 2.99Å; L191-E196 HydrophobicContact CD2-CB 4.12Å; L191-E196 PolarHBondContact O-N 2.75Å; L191-L197 HydrophobicContact CB-CB 4.01Å; L191-L197 HydrophobicContact CB-CD1 4.17Å; L191-L197 HydrophobicContact CD1-CD1 4.26Å; L191-L197 PolarHBondContact O-N 2.74Å
192F95.5Very high95.4Very high140 Ų14073.3 Ų73.361%0.61436%0.364SS*.Hα-helixtrans-65.7-49.4176.3177.4-100.5000112L188 Y189 R190 L194 K195 L197L188-F192 VanDerWaalsContact O-CB 3.3Å; L188-F192 WeakPolarHBondContact O-CB 3.41Å; L188-F192 PolarHBondContact O-N 3.09Å; Y189-F192 WeakPolarHBondContact O-CB 3.36Å; Y189-F192 PolarHBondContact O-N 3.44Å; R190-F192 VanDerWaalsContact C-N 3.3Å; R190-F192 PolarHBondContact O-N 3.33Å; F192-L194 PolarHBondContact O-N 2.86Å; F192-K195 WeakPolarHBondContact O-CA 3.38Å; F192-K195 PolarHBondContact O-N 3.2Å; F192-L197 HydrophobicContact CB-CB 4.41Å; F192-L197 HydrophobicContact CB-CD2 4.05Å
193S94Very high95.4Very high61 Ų6174.6 Ų74.643%0.42737%0.373SS..Hα-helixtrans-60.2-32.4178.3-59.90000112.8Y189 R190 K195Y189-S193 PolarHBondContact O-N 2.87Å; Y189-S193 PolarHBondContact O-OG 3.4Å; Y189-S193 VanDerWaalsContact O-OG 3.05Å; R190-S193 PolarHBondContact O-N 2.74Å; S193-K195 VanDerWaalsContact C-N 3.29Å
194L93.4Very high95.4Very high78 Ų7876 Ų7641%0.40838%0.383SS..THydrogen-bonded Turntrans-84.60.3175.8-65.4174.5000113.5R190 F192 E196R190-L194 WeakPolarHBondContact O-CB 3.44Å; R190-L194 VanDerWaalsContact O-CG 3.27Å; R190-L194 WeakPolarHBondContact O-CG 3.14Å; R190-L194 PolarHBondContact O-N 3.13Å; F192-L194 PolarHBondContact O-N 2.86Å; L194-E196 HydrophobicContact CB-CG 3.94Å; L194-E196 PolarHBondContact O-N 2.87Å
195K94Very high95.5Very high199 Ų19973.7 Ų73.787%0.86537%0.371SS*.THydrogen-bonded Turntrans57.630.1-174.9-53.6-178-179.8-1790113.6L191 F192 S193L191-K195 PolarHBondContact O-N 2.99Å; F192-K195 WeakPolarHBondContact O-CA 3.38Å; F192-K195 PolarHBondContact O-N 3.2Å; S193-K195 VanDerWaalsContact C-N 3.29Å
196E94.1Very high95.5Very high49 Ų4971.7 Ų71.723%0.22936%0.363CS..  trans-100.4-8.5178.9-61.6-176.717800112.4S152 R155 L191 L194S152-E196 WeakPolarHBondContact CA-OE1 3.35Å; S152-E196 VanDerWaalsContact CB-CD 3.44Å; S152-E196 VanDerWaalsContact CB-OE1 3.23Å; S152-E196 WeakPolarHBondContact CB-OE1 3.29Å; S152-E196 PolarHBondContact OG-OE2 2.85Å; R155-E196 IonicContact CZ-OE1 3.63Å; R155-E196 IonicContact CZ-OE2 3.89Å; R155-E196 IonicContact NE-OE1 3.81Å; R155-E196 PolarHBondContact NE-OE1 3.44Å; R155-E196 VanDerWaalsContact NE-OE1 3.17Å; R155-E196 IonicContact NE-OE2 2.75Å; R155-E196 PolarHBondContact NE-OE2 2.91Å; R155-E196 IonicContact NH2-OE1 2.76Å; R155-E196 PolarHBondContact NH2-OE1 3.32Å; R155-E196 IonicContact NH2-OE2 3.82Å; L191-E196 HydrophobicContact CD2-CB 4.12Å; L191-E196 PolarHBondContact O-N 2.75Å; L194-E196 HydrophobicContact CB-CG 3.94Å; L194-E196 PolarHBondContact O-N 2.87Å
197L93.3Very high95.6Very high54 Ų5475.1 Ų75.128%0.28338%0.384SS..  trans-80.7128.5178.8-16865.1000111.2L188 L191 F192 L202L188-L197 HydrophobicContact CD2-CD1 3.95Å; L191-L197 HydrophobicContact CB-CB 4.01Å; L191-L197 HydrophobicContact CB-CD1 4.17Å; L191-L197 HydrophobicContact CD1-CD1 4.26Å; L191-L197 PolarHBondContact O-N 2.74Å; F192-L197 HydrophobicContact CB-CB 4.41Å; F192-L197 HydrophobicContact CB-CD2 4.05Å; L197-L202 HydrophobicContact CD1-CD2 3.84Å; L197-L202 HydrophobicContact CD1-CG 4Å
198S94.5Very high95.7Very high64 Ų6475.8 Ų75.845%0.44839%0.388SS..  trans-136.1160.1174.170.40000110.7L200 G201 L202S198-L200 VanDerWaalsContact C-N 3.32Å; S198-L200 PolarHBondContact O-N 3.19Å; S198-G201 WeakPolarHBondContact O-CA 3.27Å; S198-G201 PolarHBondContact O-N 3.49Å; S198-G201 VanDerWaalsContact O-N 3.08Å; S198-G201 PolarHBondContact OG-N 3.38Å; S198-L202 PolarHBondContact O-N 3.05Å
199F95.3Very high95.8Very high169 Ų16976.5 Ų76.574%0.74139%0.39SS*.Hα-helixtrans-57.5-45.7175.8177.6-102.1000111.8G201 L202 V203F199-G201 VanDerWaalsContact C-N 3.26Å; F199-G201 PolarHBondContact O-N 2.92Å; F199-L202 WeakPolarHBondContact O-CB 3.35Å; F199-L202 PolarHBondContact O-N 2.84Å; F199-L202 VanDerWaalsContact O-N 3.15Å; F199-V203 HydrophobicContact CD1-CG2 4.3Å; F199-V203 HydrophobicContact CE1-CG2 3.86Å; F199-V203 HydrophobicContact CE2-CG2 4.39Å; F199-V203 HydrophobicContact CZ-CG2 3.91Å; F199-V203 WeakPolarHBondContact O-CG2 3.39Å; F199-V203 PolarHBondContact O-N 2.91Å
200L94.9Very high95.9Very high123 Ų12374.5 Ų74.564%0.64439%0.388SS*.Hα-helixtrans-60.9-38.5175.4-175.362.2000111.5S198 V203 T204S198-L200 VanDerWaalsContact C-N 3.32Å; S198-L200 PolarHBondContact O-N 3.19Å; L200-V203 PolarHBondContact O-N 2.82Å; L200-T204 WeakPolarHBondContact O-CG2 3.28Å; L200-T204 PolarHBondContact O-N 3.23Å; L200-T204 PolarHBondContact O-OG1 3.01Å; L200-T204 VanDerWaalsContact O-OG1 3.11Å
201G93.9Very high96.1Very high13 Ų1374.2 Ų74.213%0.13440%0.399CS..Hα-helixtrans-58.5-46.1173.500000112.6S198 F199 T204 L205S198-G201 WeakPolarHBondContact O-CA 3.27Å; S198-G201 PolarHBondContact O-N 3.49Å; S198-G201 VanDerWaalsContact O-N 3.08Å; S198-G201 PolarHBondContact OG-N 3.38Å; F199-G201 VanDerWaalsContact C-N 3.26Å; F199-G201 PolarHBondContact O-N 2.92Å; G201-T204 WeakPolarHBondContact CA-OG1 3.14Å; G201-T204 PolarHBondContact O-N 3.31Å; G201-T204 PolarHBondContact O-OG1 3.48Å; G201-L205 VanDerWaalsContact O-CG 3.31Å; G201-L205 WeakPolarHBondContact O-CG 3.27Å; G201-L205 PolarHBondContact O-N 3.38Å
202L96.3Very high96.2Very high74 Ų7473.7 Ų73.739%0.38740%0.396SS..Hα-helixtrans-61-44.6175.5-72.5172.5000112L188 L197 S198 F199 T204 L205 G206L188-L202 HydrophobicContact CD1-CD2 4.45Å; L188-L202 HydrophobicContact CD2-CD2 3.59Å; L197-L202 HydrophobicContact CD1-CD2 3.84Å; L197-L202 HydrophobicContact CD1-CG 4Å; S198-L202 PolarHBondContact O-N 3.05Å; F199-L202 WeakPolarHBondContact O-CB 3.35Å; F199-L202 PolarHBondContact O-N 2.84Å; F199-L202 VanDerWaalsContact O-N 3.15Å; L202-T204 PolarHBondContact O-N 2.88Å; L202-L205 PolarHBondContact O-N 3.26Å; L202-G206 PolarHBondContact O-N 3.46Å
203V97.4Very high96.3Very high59 Ų5970 Ų7036%0.35838%0.379SS..Hα-helixtrans-60.1-46.4176.3173.60000110.7F199 L200 L205 G206 L207F199-V203 HydrophobicContact CD1-CG2 4.3Å; F199-V203 HydrophobicContact CE1-CG2 3.86Å; F199-V203 HydrophobicContact CE2-CG2 4.39Å; F199-V203 HydrophobicContact CZ-CG2 3.91Å; F199-V203 WeakPolarHBondContact O-CG2 3.39Å; F199-V203 PolarHBondContact O-N 2.91Å; L200-V203 PolarHBondContact O-N 2.82Å; V203-L205 VanDerWaalsContact C-N 3.34Å; V203-L205 PolarHBondContact O-N 3.05Å; V203-G206 PolarHBondContact O-N 3.49Å; V203-L207 HydrophobicContact CG1-CD1 4.18Å; V203-L207 HydrophobicContact CG1-CG 4.44Å; V203-L207 WeakPolarHBondContact O-CG 3.44Å; V203-L207 PolarHBondContact O-N 2.98Å
204T97.6Very high96.4Very high43 Ų4373.3 Ų73.326%0.26439%0.387SS..Hα-helixtrans-64.6-35.7179.150.70000113.3H160 L200 G201 L202 L207 C208H160-T204 WeakPolarHBondContact NE2-CB 3.24Å; H160-T204 PolarHBondContact NE2-OG1 3.44Å; L200-T204 WeakPolarHBondContact O-CG2 3.28Å; L200-T204 PolarHBondContact O-N 3.23Å; L200-T204 PolarHBondContact O-OG1 3.01Å; L200-T204 VanDerWaalsContact O-OG1 3.11Å; G201-T204 WeakPolarHBondContact CA-OG1 3.14Å; G201-T204 PolarHBondContact O-N 3.31Å; G201-T204 PolarHBondContact O-OG1 3.48Å; L202-T204 PolarHBondContact O-N 2.88Å; T204-L207 PolarHBondContact O-N 2.92Å; T204-C208 PolarHBondContact O-N 3.45Å; T204-C208 PolarHBondContact O-SG 2.89Å
205L97.9Very high96.6Very high25 Ų2570.9 Ų70.913%0.13138%0.376CS..Hα-helixtrans-66.1-43.4173.1-69.9171.6000111A159 A163 L188 G201 L202 V203 L207 C208 F209A159-L205 HydrophobicContact CB-CD2 3.86Å; A159-L205 WeakPolarHBondContact O-CD2 3.41Å; A163-L205 HydrophobicContact CB-CB 4.49Å; A163-L205 HydrophobicContact CB-CD2 4.2Å; A163-L205 WeakPolarHBondContact CB-O 3.44Å; L188-L205 HydrophobicContact CD2-CD1 4.4Å; G201-L205 VanDerWaalsContact O-CG 3.31Å; G201-L205 WeakPolarHBondContact O-CG 3.27Å; G201-L205 PolarHBondContact O-N 3.38Å; L202-L205 PolarHBondContact O-N 3.26Å; V203-L205 VanDerWaalsContact C-N 3.34Å; V203-L205 PolarHBondContact O-N 3.05Å; L205-L207 PolarHBondContact O-N 3.06Å; L205-C208 PolarHBondContact O-N 2.82Å; L205-F209 PolarHBondContact O-N 3.29Å
206G97.9Very high96.8Very high31 Ų3162.1 Ų62.132%0.3234%0.337SS..Hα-helixtrans-59.4-43.6174.700000112.6L202 V203 C208 F209 I210L202-G206 PolarHBondContact O-N 3.46Å; V203-G206 PolarHBondContact O-N 3.49Å; G206-C208 PolarHBondContact O-N 3.43Å; G206-F209 WeakPolarHBondContact O-CB 3.43Å; G206-F209 PolarHBondContact O-N 3.04Å; G206-I210 VanDerWaalsContact O-CG1 3.31Å; G206-I210 WeakPolarHBondContact O-CG1 3.29Å; G206-I210 PolarHBondContact O-N 3.45Å
207L98.3Very high96.9Very high106 Ų10663.6 Ų63.656%0.55535%0.346SS*.Hα-helixtrans-63.4-39.7175.5-69.4174.4000112.3V203 T204 L205 I210 A211V203-L207 HydrophobicContact CG1-CD1 4.18Å; V203-L207 HydrophobicContact CG1-CG 4.44Å; V203-L207 WeakPolarHBondContact O-CG 3.44Å; V203-L207 PolarHBondContact O-N 2.98Å; T204-L207 PolarHBondContact O-N 2.92Å; L205-L207 PolarHBondContact O-N 3.06Å; L207-I210 PolarHBondContact O-N 3.25Å; L207-A211 WeakPolarHBondContact O-CB 3.35Å; L207-A211 PolarHBondContact O-N 2.92Å
208C98.4Very high97.1Very high32 Ų3262.2 Ų62.222%0.21634%0.337CS..Hα-helixtrans-63.9-41.8174.9-67.80000111.8H160 A163 F164 T204 L205 G206 A211 G212H160-C208 PolarHBondContact CD2-SG 3.21Å; A163-C208 HydrophobicContact CB-CB 3.99Å; F164-C208 WeakPolarHBondContact CA-O 3.47Å; F164-C208 HydrophobicContact CB-CB 4.45Å; T204-C208 PolarHBondContact O-N 3.45Å; T204-C208 PolarHBondContact O-SG 2.89Å; L205-C208 PolarHBondContact O-N 2.82Å; G206-C208 PolarHBondContact O-N 3.43Å; C208-A211 PolarHBondContact O-N 2.93Å; C208-G212 PolarHBondContact O-N 2.74Å
209F98.4Very high97.3Very high65 Ų6559.1 Ų59.129%0.28532%0.315SS..Hα-helixtrans-60.5-48.3174.4177-88.6000111.7A163 C166 L170 L205 G206 A211 G212 F213A163-F209 HydrophobicContact CB-CB 4.45Å; A163-F209 WeakPolarHBondContact O-CA 3.5Å; C166-F209 HydrophobicContact CB-CD2 4.03Å; C166-F209 HydrophobicContact CB-CE2 4.14Å; L170-F209 HydrophobicContact CD1-CE2 3.78Å; L170-F209 HydrophobicContact CD1-CZ 3.7Å; L205-F209 PolarHBondContact O-N 3.29Å; G206-F209 WeakPolarHBondContact O-CB 3.43Å; G206-F209 PolarHBondContact O-N 3.04Å; F209-A211 VanDerWaalsContact C-N 3.3Å; F209-A211 PolarHBondContact O-N 3.38Å; F209-G212 PolarHBondContact O-N 3.49Å; F209-G212 VanDerWaalsContact O-N 3.11Å; F209-F213 HydrophobicContact CE1-CB 4.4Å; F209-F213 HydrophobicContact CE1-CD2 4.47Å; F209-F213 HydrophobicContact CE1-CG 4.48Å; F209-F213 HydrophobicContact CZ-CD2 4.39Å; F209-F213 WeakPolarHBondContact O-CB 3.49Å; F209-F213 PolarHBondContact O-N 2.96Å
210I98.2Very high97.4Very high109 Ų10952.6 Ų52.656%0.55929%0.29SS*.Hα-helixtrans-60.8-40.7177.6-68165.8000110.8G206 L207 G212 F213 F214G206-I210 VanDerWaalsContact O-CG1 3.31Å; G206-I210 WeakPolarHBondContact O-CG1 3.29Å; G206-I210 PolarHBondContact O-N 3.45Å; L207-I210 PolarHBondContact O-N 3.25Å; I210-G212 VanDerWaalsContact C-N 3.31Å; I210-G212 PolarHBondContact O-N 3.16Å; I210-F213 CarbonylContact O-C 3.53Å; I210-F213 PolarHBondContact O-N 3.39Å; I210-F213 VanDerWaalsContact O-N 3.16Å; I210-F214 PolarHBondContact O-N 2.92Å
211A98.4Very high97.5Very high54 Ų5451 Ų5145%0.44628%0.281SS..Hα-helixtrans-62-38.8175.400000112.2F164 L207 C208 F209 F214F164-A211 HydrophobicContact CD2-CB 4.22Å; F164-A211 HydrophobicContact CE2-CB 4.4Å; L207-A211 WeakPolarHBondContact O-CB 3.35Å; L207-A211 PolarHBondContact O-N 2.92Å; C208-A211 PolarHBondContact O-N 2.93Å; F209-A211 VanDerWaalsContact C-N 3.3Å; F209-A211 PolarHBondContact O-N 3.38Å; A211-F214 VanDerWaalsContact O-CB 3.26Å; A211-F214 WeakPolarHBondContact O-CB 3.36Å
212G97.9Very high97.7Very high0 Ų050.7 Ų50.70%028%0.277CS..Hα-helixtrans-67.7-36.7172.700000112.8F164 G167 L168 C208 F209 I210 F214 P215F164-G212 WeakPolarHBondContact O-CA 3.38Å; G167-G212 VanDerWaalsContact C-C 3.48Å; G167-G212 CarbonylContact C-O 3.56Å; L168-G212 WeakPolarHBondContact CA-O 3.4Å; L168-G212 WeakPolarHBondContact CD1-O 3.37Å; L168-G212 PolarHBondContact N-O 3.42Å; C208-G212 PolarHBondContact O-N 2.74Å; F209-G212 PolarHBondContact O-N 3.49Å; F209-G212 VanDerWaalsContact O-N 3.11Å; I210-G212 VanDerWaalsContact C-N 3.31Å; I210-G212 PolarHBondContact O-N 3.16Å; G212-F214 PolarHBondContact O-N 3.34Å; G212-P215 WeakPolarHBondContact O-CD 3.41Å
213F97.3Very high97.7Very high61 Ų6147.2 Ų47.227%0.26826%0.259SS..Hα-helixtrans-76.9-9.4-179.6-160-104.5000113.6L170 C171 F209 I210 P215 Y216 L245L170-F213 HydrophobicContact CB-CD2 4.28Å; L170-F213 HydrophobicContact CB-CE2 4.11Å; C171-F213 VanDerWaalsContact SG-CA 3.58Å; C171-F213 PolarHBondContact SG-O 3.41Å; C171-F213 VanDerWaalsContact SG-O 3.39Å; F209-F213 HydrophobicContact CE1-CB 4.4Å; F209-F213 HydrophobicContact CE1-CD2 4.47Å; F209-F213 HydrophobicContact CE1-CG 4.48Å; F209-F213 HydrophobicContact CZ-CD2 4.39Å; F209-F213 WeakPolarHBondContact O-CB 3.49Å; F209-F213 PolarHBondContact O-N 2.96Å; I210-F213 CarbonylContact O-C 3.53Å; I210-F213 PolarHBondContact O-N 3.39Å; I210-F213 VanDerWaalsContact O-N 3.16Å; F213-P215 VanDerWaalsContact C-N 3.33Å; F213-Y216 AromaticContact CD1-CD2 3.99Å; F213-Y216 HydrophobicContact CD1-CD2 3.99Å; F213-Y216 AromaticContact CD2-CD2 3.82Å; F213-Y216 HydrophobicContact CD2-CD2 3.82Å; F213-Y216 HydrophobicContact CD2-CE2 4.11Å; F213-Y216 AromaticContact CE1-CD2 3.53Å; F213-Y216 HydrophobicContact CE1-CD2 3.53Å; F213-Y216 HydrophobicContact CE1-CE2 4.29Å; F213-Y216 HydrophobicContact CE1-CG 4.15Å; F213-Y216 AromaticContact CE2-CD2 3.35Å; F213-Y216 HydrophobicContact CE2-CD2 3.35Å; F213-Y216 AromaticContact CE2-CE2 3.38Å; F213-Y216 HydrophobicContact CE2-CE2 3.38Å; F213-Y216 HydrophobicContact CG-CD2 4.13Å; F213-Y216 AromaticContact CZ-CD2 3.19Å; F213-Y216 HydrophobicContact CZ-CD2 3.19Å; F213-Y216 AromaticContact CZ-CE2 3.49Å; F213-Y216 HydrophobicContact CZ-CE2 3.49Å; F213-Y216 VanDerWaalsContact CZ-CE2 3.49Å; F213-Y216 HydrophobicContact CZ-CG 4.12Å; F213-Y216 PolarHBondContact O-N 3.2Å; F213-L245 HydrophobicContact CZ-CD1 4.26Å; F213-L245 HydrophobicContact CZ-CD2 4.5Å
214F97.8Very high97.6Very high132 Ų13253.3 Ų53.358%0.57928%0.277SS*.G310 helixtrans-52.1-36.4-177.1-173.9-103.3000115.3I210 A211 G212 Y216 I217I210-F214 PolarHBondContact O-N 2.92Å; A211-F214 VanDerWaalsContact O-CB 3.26Å; A211-F214 WeakPolarHBondContact O-CB 3.36Å; G212-F214 PolarHBondContact O-N 3.34Å; F214-Y216 PolarHBondContact O-N 3.45Å; F214-I217 HydrophobicContact CD1-CG2 4.37Å; F214-I217 HydrophobicContact CE1-CG2 4.01Å; F214-I217 HydrophobicContact CE2-CD1 4.17Å; F214-I217 HydrophobicContact CE2-CG2 4.32Å; F214-I217 HydrophobicContact CZ-CD1 4.37Å; F214-I217 HydrophobicContact CZ-CG2 3.98Å; F214-I217 WeakPolarHBondContact O-CB 3.44Å; F214-I217 VanDerWaalsContact O-CG2 3.25Å; F214-I217 WeakPolarHBondContact O-CG2 3.48Å; F214-I217 PolarHBondContact O-N 3.09Å
215P97.6Very high97.6Very high27 Ų2756.7 Ų56.718%0.17529%0.293CS..G310 helixtrans-56.1-19179-28.838.5000115P55 V56 L168 C171 G212 F213 I217 Y218P55-P215 HydrophobicContact CB-CB 4.37Å; P55-P215 WeakPolarHBondContact CB-O 3.41Å; V56-P215 HydrophobicContact CG2-CB 3.9Å; V56-P215 HydrophobicContact CG2-CG 3.99Å; L168-P215 HydrophobicContact CD1-CG 3.77Å; C171-P215 HydrophobicContact CB-CB 4.36Å; G212-P215 WeakPolarHBondContact O-CD 3.41Å; F213-P215 VanDerWaalsContact C-N 3.33Å; P215-I217 PolarHBondContact O-N 2.76Å; P215-I217 VanDerWaalsContact O-N 3.13Å; P215-Y218 WeakPolarHBondContact O-CB 3.44Å; P215-Y218 PolarHBondContact O-N 3.23Å
216Y96.5Very high97.5Very high14 Ų1456.6 Ų56.66%0.05529%0.292CS..G310 helixtrans-59.8-20.2172.3-95.7-63000114.4P52 P55 L170 C171 H174 F213 F214 Y218 L219 P220 L245P52-Y216 WeakPolarHBondContact O-CE1 3.42Å; P55-Y216 HydrophobicContact CG-CD1 4.05Å; P55-Y216 HydrophobicContact CG-CE1 4.09Å; P55-Y216 HydrophobicContact CG-CG 4.38Å; L170-Y216 PolarHBondContact O-OH 3.44Å; L170-Y216 VanDerWaalsContact O-OH 3.11Å; C171-Y216 HydrophobicContact CB-CD2 4.2Å; C171-Y216 HydrophobicContact CB-CE2 4.05Å; C171-Y216 WeakPolarHBondContact SG-CD2 3.39Å; H174-Y216 AromaticContact NE2-CZ 3.74Å; H174-Y216 PolarHBondContact NE2-OH 2.88Å; F213-Y216 AromaticContact CD1-CD2 3.99Å; F213-Y216 HydrophobicContact CD1-CD2 3.99Å; F213-Y216 AromaticContact CD2-CD2 3.82Å; F213-Y216 HydrophobicContact CD2-CD2 3.82Å; F213-Y216 HydrophobicContact CD2-CE2 4.11Å; F213-Y216 AromaticContact CE1-CD2 3.53Å; F213-Y216 HydrophobicContact CE1-CD2 3.53Å; F213-Y216 HydrophobicContact CE1-CE2 4.29Å; F213-Y216 HydrophobicContact CE1-CG 4.15Å; F213-Y216 AromaticContact CE2-CD2 3.35Å; F213-Y216 HydrophobicContact CE2-CD2 3.35Å; F213-Y216 AromaticContact CE2-CE2 3.38Å; F213-Y216 HydrophobicContact CE2-CE2 3.38Å; F213-Y216 HydrophobicContact CG-CD2 4.13Å; F213-Y216 AromaticContact CZ-CD2 3.19Å; F213-Y216 HydrophobicContact CZ-CD2 3.19Å; F213-Y216 AromaticContact CZ-CE2 3.49Å; F213-Y216 HydrophobicContact CZ-CE2 3.49Å; F213-Y216 VanDerWaalsContact CZ-CE2 3.49Å; F213-Y216 HydrophobicContact CZ-CG 4.12Å; F213-Y216 PolarHBondContact O-N 3.2Å; F214-Y216 PolarHBondContact O-N 3.45Å; Y216-Y218 PolarHBondContact O-N 3.41Å; Y216-L219 HydrophobicContact CD1-CD1 3.75Å; Y216-L219 HydrophobicContact CD1-CD2 3.85Å; Y216-L219 HydrophobicContact CD1-CG 4.44Å; Y216-L219 HydrophobicContact CE1-CD1 4.24Å; Y216-L219 HydrophobicContact CE1-CD2 3.98Å; Y216-L219 PolarHBondContact O-N 3.26Å; Y216-P220 WeakPolarHBondContact O-CD 3.31Å; Y216-L245 HydrophobicContact CD1-CD1 4.01Å; Y216-L245 HydrophobicContact CD2-CD1 4.31Å; Y216-L245 HydrophobicContact CE1-CD1 3.53Å; Y216-L245 HydrophobicContact CE2-CD1 3.83Å; Y216-L245 HydrophobicContact CG-CD1 4.41Å; Y216-L245 VanDerWaalsContact CZ-CD1 3.44Å
217I96.8Very high97.3Very high80 Ų8058.9 Ų58.941%0.4130%0.303SS..G310 helixtrans-63.4-19.2173.3-154.5168.8000112.5F214 P215 L219 P220 I221F214-I217 HydrophobicContact CD1-CG2 4.37Å; F214-I217 HydrophobicContact CE1-CG2 4.01Å; F214-I217 HydrophobicContact CE2-CD1 4.17Å; F214-I217 HydrophobicContact CE2-CG2 4.32Å; F214-I217 HydrophobicContact CZ-CD1 4.37Å; F214-I217 HydrophobicContact CZ-CG2 3.98Å; F214-I217 WeakPolarHBondContact O-CB 3.44Å; F214-I217 VanDerWaalsContact O-CG2 3.25Å; F214-I217 WeakPolarHBondContact O-CG2 3.48Å; F214-I217 PolarHBondContact O-N 3.09Å; P215-I217 PolarHBondContact O-N 2.76Å; P215-I217 VanDerWaalsContact O-N 3.13Å; I217-L219 VanDerWaalsContact C-N 3.27Å; I217-L219 PolarHBondContact O-N 3.11Å; I217-P220 VanDerWaalsContact O-CD 3.24Å; I217-P220 WeakPolarHBondContact O-CD 3.48Å; I217-P220 VanDerWaalsContact O-CG 3.29Å; I217-P220 WeakPolarHBondContact O-CG 3.49Å; I217-I221 HydrophobicContact CG1-CD1 4.11Å; I217-I221 HydrophobicContact CG2-CD1 4.21Å; I217-I221 WeakPolarHBondContact O-CD1 3.31Å; I217-I221 VanDerWaalsContact O-CG1 3.24Å; I217-I221 WeakPolarHBondContact O-CG1 3.21Å; I217-I221 PolarHBondContact O-N 2.95Å
218Y97.9Very high97.2Very high25 Ų2553.9 Ų53.910%0.09828%0.278CS..Hα-helixtrans-56.9-39.6173.2168.8-106000112.5L46 G47 P55 T58 L59 P215 Y216 I221 S222L46-Y218 VanDerWaalsContact CA-OH 3.23Å; L46-Y218 WeakPolarHBondContact CA-OH 3.32Å; L46-Y218 HydrophobicContact CD2-CE2 4.25Å; L46-Y218 PolarHBondContact O-OH 3.34Å; G47-Y218 PolarHBondContact N-OH 3.32Å; G47-Y218 WeakPolarHBondContact O-CE1 3.46Å; G47-Y218 PolarHBondContact O-OH 2.9Å; P55-Y218 HydrophobicContact CB-CD1 3.89Å; P55-Y218 HydrophobicContact CB-CG 4.4Å; T58-Y218 HydrophobicContact CG2-CE1 4.16Å; L59-Y218 HydrophobicContact CD2-CD2 3.9Å; L59-Y218 HydrophobicContact CD2-CE2 3.91Å; L59-Y218 HydrophobicContact CG-CD2 4.45Å; P215-Y218 WeakPolarHBondContact O-CB 3.44Å; P215-Y218 PolarHBondContact O-N 3.23Å; Y216-Y218 PolarHBondContact O-N 3.41Å; Y218-I221 PolarHBondContact O-N 2.94Å; Y218-S222 WeakPolarHBondContact O-CB 3.44Å; Y218-S222 PolarHBondContact O-N 3.04Å
219L97.7Very high97.1Very high0 Ų056 Ų560%028%0.281CS..Hα-helixtrans-59.4-59.1-175.6-76.365000111.5V48 P55 Y216 I217 I221 S222 S223 Q235 L241V48-L219 HydrophobicContact CG1-CD2 4.41Å; V48-L219 HydrophobicContact CG1-CG 4.04Å; V48-L219 HydrophobicContact CG2-CB 4.44Å; V48-L219 HydrophobicContact CG2-CG 4.42Å; P55-L219 HydrophobicContact CB-CD1 3.73Å; P55-L219 HydrophobicContact CG-CD1 3.71Å; Y216-L219 HydrophobicContact CD1-CD1 3.75Å; Y216-L219 HydrophobicContact CD1-CD2 3.85Å; Y216-L219 HydrophobicContact CD1-CG 4.44Å; Y216-L219 HydrophobicContact CE1-CD1 4.24Å; Y216-L219 HydrophobicContact CE1-CD2 3.98Å; Y216-L219 PolarHBondContact O-N 3.26Å; I217-L219 VanDerWaalsContact C-N 3.27Å; I217-L219 PolarHBondContact O-N 3.11Å; L219-I221 VanDerWaalsContact C-N 3.26Å; L219-I221 PolarHBondContact O-N 3.42Å; L219-S222 PolarHBondContact O-N 3.23Å; L219-S223 WeakPolarHBondContact O-CB 3.45Å; L219-S223 PolarHBondContact O-N 2.97Å; L219-Q235 HydrophobicContact CB-CB 4.32Å; L219-Q235 HydrophobicContact CB-CG 4.26Å; L219-L241 HydrophobicContact CB-CD1 4.21Å; L219-L241 HydrophobicContact CD2-CD1 4.27Å
220P97.9Very high96.9Very high32 Ų3253.2 Ų53.221%0.20827%0.268CS..Hα-helixtrans-62.8-32.4178.924.5-34.1000112.5Y216 I217 Y224 Q235Y216-P220 WeakPolarHBondContact O-CD 3.31Å; I217-P220 VanDerWaalsContact O-CD 3.24Å; I217-P220 WeakPolarHBondContact O-CD 3.48Å; I217-P220 VanDerWaalsContact O-CG 3.29Å; I217-P220 WeakPolarHBondContact O-CG 3.49Å; P220-Y224 WeakPolarHBondContact O-CB 3.43Å; P220-Y224 PolarHBondContact O-N 3.07Å; P220-Q235 WeakPolarHBondContact CB-O 3.18Å
221I97.9Very high96.8Very high88 Ų8848.3 Ų48.345%0.45124%0.244SC..Hα-helixtrans-65.9-53.7177.5-67.3169.9000110.9I217 Y218 L219 S223 Y224 L225I217-I221 HydrophobicContact CG1-CD1 4.11Å; I217-I221 HydrophobicContact CG2-CD1 4.21Å; I217-I221 WeakPolarHBondContact O-CD1 3.31Å; I217-I221 VanDerWaalsContact O-CG1 3.24Å; I217-I221 WeakPolarHBondContact O-CG1 3.21Å; I217-I221 PolarHBondContact O-N 2.95Å; Y218-I221 PolarHBondContact O-N 2.94Å; L219-I221 VanDerWaalsContact C-N 3.26Å; L219-I221 PolarHBondContact O-N 3.42Å; I221-S223 VanDerWaalsContact C-N 3.29Å; I221-S223 PolarHBondContact O-N 3.45Å; I221-Y224 PolarHBondContact O-N 3.06Å; I221-L225 HydrophobicContact CG2-CD1 4.07Å; I221-L225 WeakPolarHBondContact O-CG 3.3Å; I221-L225 PolarHBondContact O-N 2.85Å
222S97.4Very high96.7Very high7 Ų747 Ų475%0.04923%0.228CC..Hα-helixtrans-57.7-45.5177.6171.50000110.6L46 Y218 L219 Y224 L225 N226L46-S222 PolarHBondContact O-OG 3.36Å; Y218-S222 WeakPolarHBondContact O-CB 3.44Å; Y218-S222 PolarHBondContact O-N 3.04Å; L219-S222 PolarHBondContact O-N 3.23Å; S222-Y224 PolarHBondContact O-N 3.25Å; S222-L225 PolarHBondContact O-N 3.25Å; S222-N226 PolarHBondContact O-N 3.21Å
223S96Very high96.5Very high2 Ų247.2 Ų47.21%0.01423%0.229CC..Hα-helixtrans-65.1-34.8179.7-153.30000113.1L219 I221 Q235 K459L219-S223 WeakPolarHBondContact O-CB 3.45Å; L219-S223 PolarHBondContact O-N 2.97Å; I221-S223 VanDerWaalsContact C-N 3.29Å; I221-S223 PolarHBondContact O-N 3.45Å; S223-Q235 PolarHBondContact OG-N 3.2Å; S223-Q235 VanDerWaalsContact OG-N 3.09Å; S223-Q235 PolarHBondContact OG-OE1 3.04Å; S223-K459 PolarHBondContact O-NZ 3.18Å; S223-K459 PolarHBondContact OG-NZ 3.03Å
224Y96.4Very high96.4Very high187 Ų18746.6 Ų46.673%0.73323%0.229SC*.Hα-helixtrans-72.4-42.7175178.5-95.8000112.5P220 I221 S222 N226P220-Y224 WeakPolarHBondContact O-CB 3.43Å; P220-Y224 PolarHBondContact O-N 3.07Å; I221-Y224 PolarHBondContact O-N 3.06Å; S222-Y224 PolarHBondContact O-N 3.25Å; Y224-N226 VanDerWaalsContact C-N 3.29Å; Y224-N226 PolarHBondContact O-N 3.25Å
225L96.3Very high96.3Very high113 Ų11340.4 Ų40.459%0.59220%0.202SC*.Hα-helixtrans-65.2-35.5176.9-68175000111.7I221 S222 S227I221-L225 HydrophobicContact CG2-CD1 4.07Å; I221-L225 WeakPolarHBondContact O-CG 3.3Å; I221-L225 PolarHBondContact O-N 2.85Å; S222-L225 PolarHBondContact O-N 3.25Å; L225-S227 PolarHBondContact O-N 3.21Å
226N95.6Very high96.2Very high24 Ų2442.2 Ų42.213%0.12821%0.212CC..  trans46.937179.4-162.514.5000113S222 Y224 K459 Q462 H463S222-N226 PolarHBondContact O-N 3.21Å; Y224-N226 VanDerWaalsContact C-N 3.29Å; Y224-N226 PolarHBondContact O-N 3.25Å; N226-K459 PolarHBondContact ND2-O 3.33Å; N226-Q462 PolarHBondContact ND2-NE2 3.29Å; N226-H463 PolarHBondContact O-CE1 3.02Å; N226-H463 PolarHBondContact O-NE2 3.15Å; N226-H463 PolarHBondContact OD1-NE2 3.43Å
227S95.5Very high96.1Very high78 Ų7845 Ų4555%0.54523%0.231SC..  trans-80.8-27.1179.156.70000112.6L225L225-S227 PolarHBondContact O-N 3.21Å
228A95.8Very high96Very high2 Ų247.2 Ų47.22%0.01724%0.243CC..SBendtrans-73.4129.7-179.300000110.7E45 W230 H463E45-A228 HydrophobicContact CB-CB 3.7Å; E45-A228 WeakPolarHBondContact O-CB 3.26Å; A228-W230 WeakPolarHBondContact CB-O 3.38Å; A228-W230 PolarHBondContact O-N 3.26Å; A228-H463 PolarHBondContact O-NE2 3.47Å
229R95.3Very high95.9Very high75 Ų7553.8 Ų53.828%0.28327%0.272SS..SBendtrans-66.3-19.3175.3-68172.3-73.6172.4-0.3112.9E45 Y435 H463E45-R229 IonicContact OE1-CZ 2.88Å; E45-R229 IonicContact OE1-NE 3.74Å; E45-R229 IonicContact OE1-NH2 2.89Å; E45-R229 PolarHBondContact OE1-NH2 3.24Å; E45-R229 IonicContact OE2-CZ 2.64Å; E45-R229 PolarHBondContact OE2-N 3.3Å; E45-R229 VanDerWaalsContact OE2-N 3.11Å; E45-R229 IonicContact OE2-NE 2.75Å; E45-R229 PolarHBondContact OE2-NE 3.36Å; E45-R229 IonicContact OE2-NH2 3.43Å; R229-Y435 HydrophobicContact CB-CD1 4.17Å; R229-Y435 HydrophobicContact CB-CE1 4.02Å; R229-Y435 HydrophobicContact CB-CE2 4.43Å; R229-Y435 HydrophobicContact CB-CG 4.44Å; R229-Y435 PolarHBondContact NH2-O 2.87Å; R229-H463 HydrophobicContact CB-CB 4.44Å; R229-H463 HydrophobicContact CG-CB 4.32Å
230W95.3Very high95.8Very high7 Ų754.3 Ų54.33%0.02728%0.278CS..  trans-130.4127171.6174-102.7000111.1E38 T41 A228 W232 R431 Y435 D447 M450 Y456 L460E38-W230 HydrophobicContact CG-CZ2 4.21Å; E38-W230 VanDerWaalsContact CG-NE1 3.3Å; E38-W230 PolarHBondContact OE1-NE1 2.81Å; T41-W230 HydrophobicContact CG2-CB 4.2Å; A228-W230 WeakPolarHBondContact CB-O 3.38Å; A228-W230 PolarHBondContact O-N 3.26Å; W230-W232 HydrophobicContact CZ2-CE3 4.07Å; W230-R431 VanDerWaalsContact CD2-CD 3.45Å; W230-R431 VanDerWaalsContact CE3-NE 3.29Å; W230-R431 HydrophobicContact CG-CG 4.48Å; W230-R431 VanDerWaalsContact CH2-CZ 3.45Å; W230-R431 VanDerWaalsContact CZ2-CZ 3.42Å; W230-Y435 HydrophobicContact CB-CD2 4.19Å; W230-Y435 HydrophobicContact CB-CE2 4.13Å; W230-D447 HydrophobicContact CZ3-CB 4.45Å; W230-M450 HydrophobicContact CH2-CG 3.71Å; W230-M450 HydrophobicContact CH2-SD 4.39Å; W230-M450 HydrophobicContact CZ3-CG 4.17Å; W230-Y456 HydrophobicContact CZ3-CE2 4.17Å; W230-L460 HydrophobicContact CE3-CD1 3.8Å; W230-L460 HydrophobicContact CZ3-CD1 4.18Å
231S95.4Very high95.7Very high7 Ų754.9 Ų54.95%0.04928%0.279CS..  trans-156.3133171.9-173.20000109V48 W455V48-S231 WeakPolarHBondContact CB-OG 3.47Å; V48-S231 PolarHBondContact N-OG 2.95Å; S231-W455 WeakPolarHBondContact O-CZ3 3.35Å
232W95.6Very high95.6Very high27 Ų2754.4 Ų54.410%0.10228%0.277CS..  trans-83129.9177.5-165.6-62.4000110.7V48 H50 W230 Q235 H244 E249 M450 W455V48-W232 PolarHBondContact O-N 3.48Å; H50-W232 HydrophobicContact CB-CD2 3.9Å; H50-W232 HydrophobicContact CB-CE3 3.61Å; H50-W232 HydrophobicContact CB-CG 4.47Å; H50-W232 HydrophobicContact CB-CH2 4.36Å; H50-W232 HydrophobicContact CB-CZ3 3.86Å; W230-W232 HydrophobicContact CZ2-CE3 4.07Å; W232-Q235 PolarHBondContact O-NE2 2.8Å; W232-H244 AromaticContact CD1-CE1 3.89Å; W232-E249 PolarHBondContact NE1-OE2 2.91Å; W232-M450 HydrophobicContact CD2-SD 4.04Å; W232-M450 HydrophobicContact CE3-SD 3.92Å; W232-M450 HydrophobicContact CH2-CE 3.24Å; W232-M450 HydrophobicContact CH2-SD 3.64Å; W232-M450 HydrophobicContact CZ2-CE 3.66Å; W232-M450 HydrophobicContact CZ2-SD 3.75Å; W232-M450 HydrophobicContact CZ3-CE 3.73Å; W232-M450 HydrophobicContact CZ3-SD 3.73Å; W232-W455 AromaticContact CD1-CZ2 3.84Å; W232-W455 HydrophobicContact CG-CH2 4.19Å; W232-W455 HydrophobicContact CG-CZ2 4.27Å; W232-W455 AromaticContact NE1-CZ2 3.87Å
233G94.4Very high95.5Very high3 Ų355.6 Ų55.63%0.03128%0.284CS..SBendtrans77.7173.117200000115.4W455G233-W455 VanDerWaalsContact CA-CD2 3.45Å; G233-W455 VanDerWaalsContact N-CH2 3.28Å; G233-W455 VanDerWaalsContact N-CZ3 3.25Å
234D94.5Very high95.5Very high49 Ų4955.7 Ų55.726%0.26228%0.284SS..  trans-122.499.9172.4-178.35.8000111.5T236 G240 W455 K459D234-T236 VanDerWaalsContact OD1-CB 3.27Å; D234-T236 WeakPolarHBondContact OD1-CB 3.4Å; D234-T236 VanDerWaalsContact OD1-CG2 3.24Å; D234-T236 WeakPolarHBondContact OD1-CG2 3.46Å; D234-T236 PolarHBondContact OD1-N 3.26Å; D234-T236 PolarHBondContact OD1-OG1 3.45Å; D234-T236 PolarHBondContact OD2-OG1 3.14Å; D234-G240 VanDerWaalsContact O-CA 3.26Å; D234-G240 WeakPolarHBondContact O-CA 3.48Å; D234-W455 HydrophobicContact CB-CB 3.76Å; D234-K459 HydrophobicContact CB-CD 4.23Å; D234-K459 WeakPolarHBondContact OD1-CE 3.48Å; D234-K459 IonicContact OD1-NZ 3.07Å; D234-K459 PolarHBondContact OD1-NZ 3.25Å; D234-K459 WeakPolarHBondContact OD2-CE 3.46Å; D234-K459 IonicContact OD2-NZ 2.71Å
235Q96.3Very high95.4Very high2 Ų248.5 Ų48.51%0.00926%0.259CS..  trans-96.416.1-179-50.776.518.500112.6L219 P220 S223 W232 T237 L241 H244L219-Q235 HydrophobicContact CB-CB 4.32Å; L219-Q235 HydrophobicContact CB-CG 4.26Å; P220-Q235 WeakPolarHBondContact CB-O 3.18Å; S223-Q235 PolarHBondContact OG-N 3.2Å; S223-Q235 VanDerWaalsContact OG-N 3.09Å; S223-Q235 PolarHBondContact OG-OE1 3.04Å; W232-Q235 PolarHBondContact O-NE2 2.8Å; Q235-T237 PolarHBondContact O-N 3.44Å; Q235-L241 HydrophobicContact CB-CB 4.34Å; Q235-L241 HydrophobicContact CB-CD1 4.18Å; Q235-L241 HydrophobicContact CG-CD1 4.46Å; Q235-H244 HydrophobicContact CG-CB 3.92Å; Q235-H244 PolarHBondContact NE2-CE1 3.47Å; Q235-H244 PolarHBondContact NE2-ND1 3.31Å
236T95.3Very high95.3Very high64 Ų6447.7 Ų47.739%0.39325%0.254SS..SBendtrans-68.4-21.2177.656.90000113.1D234 K459D234-T236 VanDerWaalsContact OD1-CB 3.27Å; D234-T236 WeakPolarHBondContact OD1-CB 3.4Å; D234-T236 VanDerWaalsContact OD1-CG2 3.24Å; D234-T236 WeakPolarHBondContact OD1-CG2 3.46Å; D234-T236 PolarHBondContact OD1-N 3.26Å; D234-T236 PolarHBondContact OD1-OG1 3.45Å; D234-T236 PolarHBondContact OD2-OG1 3.14Å; T236-K459 VanDerWaalsContact CG2-NZ 3.29Å
237T95.3Very high95.2Very high74 Ų7449 Ų4945%0.45426%0.257SS..SBendtrans-110.5155.7177.567.30000111Q235 F239 G240 L241Q235-T237 PolarHBondContact O-N 3.44Å; T237-F239 PolarHBondContact O-N 3.3Å; T237-G240 PolarHBondContact O-N 3.42Å; T237-G240 PolarHBondContact OG1-N 2.9Å; T237-G240 VanDerWaalsContact OG1-N 3.08Å; T237-L241 WeakPolarHBondContact O-CB 3.18Å; T237-L241 PolarHBondContact O-N 2.76Å
238L94.9Very high95Very high126 Ų12647.5 Ų47.566%0.6625%0.25SC*.Hα-helixtrans-58.6-39.6174.3179.262000111.6L241 L242L238-L241 PolarHBondContact O-N 2.87Å; L238-L242 HydrophobicContact CD1-CD1 4.18Å; L238-L242 HydrophobicContact CD1-CG 4.16Å; L238-L242 HydrophobicContact CG-CD1 4.05Å; L238-L242 HydrophobicContact CG-CG 4.44Å; L238-L242 WeakPolarHBondContact O-CB 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.26Å; L238-L242 WeakPolarHBondContact O-CG 3.21Å; L238-L242 PolarHBondContact O-N 2.94Å
239F95.6Very high94.6Very high162 Ų16248.9 Ų48.971%0.71126%0.256SS*.Hα-helixtrans-61.2-51.8177.1179.5-100000111.1T237 L241 L242 T243T237-F239 PolarHBondContact O-N 3.3Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 3.25Å; F239-L242 PolarHBondContact O-N 3.19Å; F239-L242 VanDerWaalsContact O-N 3.15Å; F239-T243 PolarHBondContact O-N 2.98Å; F239-T243 PolarHBondContact O-OG1 2.99Å
240G94.7Very high94Very high12 Ų1247.6 Ų47.612%0.12425%0.251CS..Hα-helixtrans-63.8-37.2178.900000113.6D234 T237 T243 H244D234-G240 VanDerWaalsContact O-CA 3.26Å; D234-G240 WeakPolarHBondContact O-CA 3.48Å; T237-G240 PolarHBondContact O-N 3.42Å; T237-G240 PolarHBondContact OG1-N 2.9Å; T237-G240 VanDerWaalsContact OG1-N 3.08Å; G240-T243 PolarHBondContact O-N 3.24Å; G240-H244 PolarHBondContact O-N 3.45Å
241L95.8Very high93.6Very high43 Ų4349.3 Ų49.323%0.22527%0.271CS..Hα-helixtrans-61.3-44.5171.9179.262.4000111.6L219 Q235 T237 L238 F239 H244 L245L219-L241 HydrophobicContact CB-CD1 4.21Å; L219-L241 HydrophobicContact CD2-CD1 4.27Å; Q235-L241 HydrophobicContact CB-CB 4.34Å; Q235-L241 HydrophobicContact CB-CD1 4.18Å; Q235-L241 HydrophobicContact CG-CD1 4.46Å; T237-L241 WeakPolarHBondContact O-CB 3.18Å; T237-L241 PolarHBondContact O-N 2.76Å; L238-L241 PolarHBondContact O-N 2.87Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 3.25Å; L241-H244 PolarHBondContact O-N 3.37Å; L241-L245 VanDerWaalsContact O-CB 3.25Å; L241-L245 WeakPolarHBondContact O-CB 3.47Å; L241-L245 PolarHBondContact O-N 3.43Å
242L96Very high93Very high78 Ų7851.3 Ų51.341%0.40828%0.283SS..Hα-helixtrans-68-38.8177.1-71.8174.3000112L238 F239 H244 L245 L246L238-L242 HydrophobicContact CD1-CD1 4.18Å; L238-L242 HydrophobicContact CD1-CG 4.16Å; L238-L242 HydrophobicContact CG-CD1 4.05Å; L238-L242 HydrophobicContact CG-CG 4.44Å; L238-L242 WeakPolarHBondContact O-CB 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.26Å; L238-L242 WeakPolarHBondContact O-CG 3.21Å; L238-L242 PolarHBondContact O-N 2.94Å; F239-L242 PolarHBondContact O-N 3.19Å; F239-L242 VanDerWaalsContact O-N 3.15Å; L242-H244 VanDerWaalsContact C-N 3.31Å; L242-H244 PolarHBondContact O-N 3.31Å; L242-L245 PolarHBondContact O-N 3.17Å; L242-L246 WeakPolarHBondContact O-CB 3.36Å; L242-L246 VanDerWaalsContact O-CG 3.25Å; L242-L246 WeakPolarHBondContact O-CG 3.37Å; L242-L246 PolarHBondContact O-N 3.11Å
243T95.1Very high92.4Very high33 Ų3356 Ų5620%0.20230%0.304CS..Hα-helixtrans-57.2-45.8173.4-62.10000111F239 G240 R247 A248 E249F239-T243 PolarHBondContact O-N 2.98Å; F239-T243 PolarHBondContact O-OG1 2.99Å; G240-T243 PolarHBondContact O-N 3.24Å; T243-R247 PolarHBondContact O-N 3.32Å; T243-A248 HydrophobicContact CG2-CB 4.11Å; T243-A248 PolarHBondContact O-N 3.36Å; T243-E249 HydrophobicContact CG2-CG 4.07Å
244H95.6Very high91.8Very high4 Ų457 Ų572%0.01931%0.311CS..Hα-helixtrans-68.8-48178.3-15891000111.9A49 P51 G53 W232 Q235 G240 L241 L242 L246 R247A49-H244 PolarHBondContact O-CE1 2.99Å; A49-H244 VanDerWaalsContact O-CE1 3.26Å; A49-H244 PolarHBondContact O-NE2 3.04Å; A49-H244 VanDerWaalsContact O-NE2 3.12Å; P51-H244 WeakPolarHBondContact CB-O 3.18Å; G53-H244 PolarHBondContact N-NE2 2.97Å; W232-H244 AromaticContact CD1-CE1 3.89Å; Q235-H244 HydrophobicContact CG-CB 3.92Å; Q235-H244 PolarHBondContact NE2-CE1 3.47Å; Q235-H244 PolarHBondContact NE2-ND1 3.31Å; G240-H244 PolarHBondContact O-N 3.45Å; L241-H244 PolarHBondContact O-N 3.37Å; L242-H244 VanDerWaalsContact C-N 3.31Å; L242-H244 PolarHBondContact O-N 3.31Å; H244-L246 PolarHBondContact O-N 3.48Å; H244-R247 PolarHBondContact O-N 3.41Å; H244-R247 VanDerWaalsContact O-N 3.11Å
245L94.8Very high91Very high36 Ų3656 Ų5619%0.18831%0.306CS..Hα-helixtrans-62.1-45-179.8-174.570.9000111H174 F213 Y216 L241 L242 R247H174-L245 PolarHBondContact CE1-O 3.17Å; H174-L245 PolarHBondContact ND1-O 2.98Å; F213-L245 HydrophobicContact CZ-CD1 4.26Å; F213-L245 HydrophobicContact CZ-CD2 4.5Å; Y216-L245 HydrophobicContact CD1-CD1 4.01Å; Y216-L245 HydrophobicContact CD2-CD1 4.31Å; Y216-L245 HydrophobicContact CE1-CD1 3.53Å; Y216-L245 HydrophobicContact CE2-CD1 3.83Å; Y216-L245 HydrophobicContact CG-CD1 4.41Å; Y216-L245 VanDerWaalsContact CZ-CD1 3.44Å; L241-L245 VanDerWaalsContact O-CB 3.25Å; L241-L245 WeakPolarHBondContact O-CB 3.47Å; L241-L245 PolarHBondContact O-N 3.43Å; L242-L245 PolarHBondContact O-N 3.17Å; L245-R247 PolarHBondContact O-N 2.76Å
246L94.7Very high90Very high96 Ų9657 Ų5750%0.50331%0.314SS..THydrogen-bonded Turntrans-77.2-0.8179.3-63.2173.3000113L242 H244 A248 T252L242-L246 WeakPolarHBondContact O-CB 3.36Å; L242-L246 VanDerWaalsContact O-CG 3.25Å; L242-L246 WeakPolarHBondContact O-CG 3.37Å; L242-L246 PolarHBondContact O-N 3.11Å; H244-L246 PolarHBondContact O-N 3.48Å; L246-A248 PolarHBondContact O-N 3.08Å; L246-T252 VanDerWaalsContact O-CA 3.28Å; L246-T252 WeakPolarHBondContact O-CA 3.35Å; L246-T252 WeakPolarHBondContact O-CB 3.31Å; L246-T252 WeakPolarHBondContact O-CG2 3.48Å; L246-T252 PolarHBondContact O-OG1 3.18Å
247R93.8Very high88.9Confident50 Ų5061 Ų6119%0.18933%0.326CS..THydrogen-bonded Turntrans53.136.4-176-52.717664.6-129.4-4.6111.7P51 P52 T243 H244 L245 E249 Y250 G251 T252P51-R247 HydrophobicContact CB-CB 4.03Å; P51-R247 HydrophobicContact CB-CG 3.73Å; P51-R247 PolarHBondContact O-NE 3.48Å; P52-R247 HydrophobicContact CB-CG 4.21Å; T243-R247 PolarHBondContact O-N 3.32Å; H244-R247 PolarHBondContact O-N 3.41Å; H244-R247 VanDerWaalsContact O-N 3.11Å; L245-R247 PolarHBondContact O-N 2.76Å; R247-E249 PolarHBondContact O-N 3.05Å; R247-Y250 HydrophobicContact CB-CD2 4.38Å; R247-Y250 PolarHBondContact O-N 3.3Å; R247-Y250 VanDerWaalsContact O-N 3.07Å; R247-G251 PolarHBondContact O-N 2.68Å; R247-T252 PolarHBondContact O-N 3.41Å
248A91.1Very high87.5Confident47 Ų4760.4 Ų60.439%0.38832%0.323SS..G310 helixtrans-63.2-28.1-172.400000112.2T243 L246 Y250 G251T243-A248 HydrophobicContact CG2-CB 4.11Å; T243-A248 PolarHBondContact O-N 3.36Å; L246-A248 PolarHBondContact O-N 3.08Å; A248-Y250 PolarHBondContact O-N 3.21Å; A248-G251 PolarHBondContact O-N 3.22Å
249E87.3Confident85.8Confident31 Ų3164.3 Ų64.315%0.14534%0.337CS..G310 helixtrans-64.2-23.9176.7-63.4179.814400113.7W232 T243 R247 Y453 W455W232-E249 PolarHBondContact NE1-OE2 2.91Å; T243-E249 HydrophobicContact CG2-CG 4.07Å; R247-E249 PolarHBondContact O-N 3.05Å; E249-Y453 HydrophobicContact CB-CE1 4.21Å; E249-Y453 HydrophobicContact CG-CE1 3.9Å; E249-Y453 WeakPolarHBondContact OE1-CD1 3.44Å; E249-Y453 WeakPolarHBondContact OE1-CE1 3.27Å; E249-W455 PolarHBondContact OE1-NE1 3.31Å
250Y83.6Confident84.4Confident49 Ų4959.7 Ų59.719%0.19232%0.323CS..G310 helixtrans-91-17.3172.3-68.9-82000113P51 R247 A248 S254P51-Y250 HydrophobicContact CB-CD2 4.23Å; P51-Y250 HydrophobicContact CB-CE2 3.99Å; P51-Y250 HydrophobicContact CG-CD2 4.38Å; P51-Y250 HydrophobicContact CG-CE2 3.99Å; R247-Y250 HydrophobicContact CB-CD2 4.38Å; R247-Y250 PolarHBondContact O-N 3.3Å; R247-Y250 VanDerWaalsContact O-N 3.07Å; A248-Y250 PolarHBondContact O-N 3.21Å; Y250-S254 VanDerWaalsContact O-CB 3.3Å; Y250-S254 WeakPolarHBondContact O-CB 3.12Å
251G84.8Confident83.1Confident43 Ų4364.4 Ų64.444%0.44335%0.354SS..THydrogen-bonded Turntrans104.420.4-169.400000115R247 A248 F253R247-G251 PolarHBondContact O-N 2.68Å; A248-G251 PolarHBondContact O-N 3.22Å; G251-F253 PolarHBondContact O-N 2.85Å
252T84.7Confident82.3Confident49 Ų4963.9 Ų63.930%0.30135%0.352SS..SBendtrans64.5-53.1177.9-55.90000115.8L246 R247L246-T252 VanDerWaalsContact O-CA 3.28Å; L246-T252 WeakPolarHBondContact O-CA 3.35Å; L246-T252 WeakPolarHBondContact O-CB 3.31Å; L246-T252 WeakPolarHBondContact O-CG2 3.48Å; L246-T252 PolarHBondContact O-OG1 3.18Å; R247-T252 PolarHBondContact O-N 3.41Å
253F82.9Confident81.9Confident124 Ų12462.8 Ų62.854%0.54435%0.351SS..SBendtrans-113.914.3-178.9-60.5-60.5000112.9G251 F317 R321G251-F253 PolarHBondContact O-N 2.85Å; F253-F317 HydrophobicContact CD1-CZ 4.15Å; F253-R321 VanDerWaalsContact CB-NE 3.32Å; F253-R321 VanDerWaalsContact O-CZ 3.31Å; F253-R321 PolarHBondContact O-NE 3.22Å; F253-R321 PolarHBondContact O-NH2 3.25Å
254S80.9Confident81.6Confident24 Ų2464.9 Ų64.917%0.16836%0.361CS..  trans-97.8147.2174.8-56.70000110Y250Y250-S254 VanDerWaalsContact O-CB 3.3Å; Y250-S254 WeakPolarHBondContact O-CB 3.12Å
255L77.4Confident81.3Confident30 Ų3068.6 Ų68.616%0.15739%0.387CS..SBendtrans-75.2-44.8173.3-70.8176.4000110.7F318 A322 N323 L324 V335 F338L255-F318 HydrophobicContact CD2-CE1 4.45Å; L255-A322 HydrophobicContact CD1-CB 3.88Å; L255-N323 WeakPolarHBondContact CA-OD1 3.23Å; L255-N323 WeakPolarHBondContact CB-OD1 3.28Å; L255-N323 PolarHBondContact N-OD1 2.88Å; L255-L324 HydrophobicContact CB-CD1 4.39Å; L255-L324 HydrophobicContact CB-CG 4.48Å; L255-L324 HydrophobicContact CD1-CD1 4.46Å; L255-V335 HydrophobicContact CD1-CG2 4.38Å; L255-F338 HydrophobicContact CD2-CD2 4.25Å; L255-F338 HydrophobicContact CD2-CE1 4.16Å; L255-F338 HydrophobicContact CD2-CE2 3.69Å; L255-F338 HydrophobicContact CD2-CZ 3.64Å
256A76.6Confident81.1Confident23 Ų2369.5 Ų69.519%0.1940%0.396CS..SBendtrans-132.5162.3177.800000111.2T258 N323 L324A256-T258 HydrophobicContact CB-CG2 4.43Å; A256-T258 PolarHBondContact O-N 2.96Å; A256-N323 PolarHBondContact N-OD1 3.25Å; A256-N323 PolarHBondContact O-ND2 3.45Å; A256-L324 HydrophobicContact CB-CD2 3.6Å; A256-L324 HydrophobicContact CB-CG 4.35Å
257K70.5Confident81.1Confident146 Ų14665 Ų6564%0.63537%0.373SS*.SBendtrans-80.458.6174.7-165.9-177.7179.6-176.70110.1Y453K257-Y453 PolarHBondContact NZ-OH 3.38Å
258T65.8Low81.1Confident63 Ų6365.3 Ų65.339%0.38738%0.378SS..  trans-128.8142.8-178.646.70000110.7A256 T260 N323A256-T258 HydrophobicContact CB-CG2 4.43Å; A256-T258 PolarHBondContact O-N 2.96Å; T258-T260 VanDerWaalsContact C-N 3.28Å; T258-T260 PolarHBondContact O-N 3.11Å; T258-N323 PolarHBondContact O-ND2 3.14Å; T258-N323 PolarHBondContact OG1-O 3.23Å; T258-N323 VanDerWaalsContact OG1-O 3.1Å
259E60.1Low81.3Confident207 Ų20767.7 Ų67.797%0.96738%0.381SS*.  trans-83.93.3-179.8-63.2-166.7164.700114S261E259-S261 PolarHBondContact O-N 3.2Å
260T66.1Low81.6Confident65 Ų6567.1 Ų67.140%0.39938%0.381SS..  trans-72.1128.4176.336.10000111.5T258 N323T258-T260 VanDerWaalsContact C-N 3.28Å; T258-T260 PolarHBondContact O-N 3.11Å; T260-N323 CarbonylContact O-C 3.1Å; T260-N323 VanDerWaalsContact O-C 3.31Å; T260-N323 VanDerWaalsContact O-CA 3.31Å; T260-N323 WeakPolarHBondContact O-CA 3.32Å; T260-N323 VanDerWaalsContact O-CB 3.32Å; T260-N323 WeakPolarHBondContact O-CB 3.4Å; T260-N323 PolarHBondContact OG1-O 2.88Å; T260-N323 VanDerWaalsContact OG1-O 3.07Å
261S67.2Low82.2Confident112 Ų11265.3 Ų65.378%0.78338%0.375SS*.  trans-112.5131.9169.657.30000109.8E259E259-S261 PolarHBondContact O-N 3.2Å
262V79Confident82.6Confident31 Ų3167.2 Ų67.219%0.18837%0.374CS..  trans-100.4144.5170.7177.90000108.1M267 L324 I326V262-M267 HydrophobicContact CB-CE 4.05Å; V262-M267 HydrophobicContact CG1-CE 3.96Å; V262-M267 HydrophobicContact CG2-CE 4.47Å; V262-L324 WeakPolarHBondContact CG2-O 3.41Å; V262-I326 HydrophobicContact CG1-CD1 3.88Å; V262-I326 HydrophobicContact CG1-CG1 4.06Å; V262-I326 HydrophobicContact CG2-CG1 4.41Å
263S86.9Confident83.1Confident55 Ų5568.6 Ų68.639%0.38538%0.38SS..  trans-66.2142178.888.40000111.2S265 S266 M267S263-S265 PolarHBondContact O-N 2.83Å; S263-S265 PolarHBondContact OG-OG 3.3Å; S263-S266 PolarHBondContact O-N 3.16Å; S263-S266 VanDerWaalsContact O-N 3.15Å; S263-S266 WeakPolarHBondContact OG-CB 3.44Å; S263-S266 PolarHBondContact OG-N 3.34Å; S263-S266 VanDerWaalsContact OG-N 3.14Å; S263-S266 PolarHBondContact OG-OG 2.85Å; S263-M267 PolarHBondContact O-N 3.12Å; S263-M267 VanDerWaalsContact O-N 3.09Å
264L88.9Confident83.6Confident77 Ų7763.2 Ų63.240%0.40336%0.356SS..Hα-helixtrans-52.3-43.1177.717568.5000111.8M267 L268 A319 W320L264-M267 PolarHBondContact O-N 2.86Å; L264-L268 HydrophobicContact CD1-CD1 4.21Å; L264-L268 HydrophobicContact CD1-CG 4.41Å; L264-L268 HydrophobicContact CG-CD1 4.06Å; L264-L268 WeakPolarHBondContact O-CG 3.46Å; L264-L268 PolarHBondContact O-N 3.21Å; L264-A319 HydrophobicContact CD1-CB 3.47Å; L264-A319 VanDerWaalsContact CD1-CB 3.47Å; L264-W320 HydrophobicContact CD1-CB 4.15Å
265S90.4Very high84.2Confident82 Ų8262.7 Ų62.757%0.57335%0.353SS*.Hα-helixtrans-67.5-41.2-179.350.20000112.3S263 M267 L268 Q269S263-S265 PolarHBondContact O-N 2.83Å; S263-S265 PolarHBondContact OG-OG 3.3Å; S265-M267 VanDerWaalsContact C-N 3.3Å; S265-M267 PolarHBondContact O-N 2.96Å; S265-L268 PolarHBondContact O-N 3.5Å; S265-Q269 WeakPolarHBondContact O-CB 3.32Å; S265-Q269 PolarHBondContact O-N 2.82Å
266S91.6Very high85Confident55 Ų5564.6 Ų64.639%0.38536%0.363SS..Hα-helixtrans-60.7-41.3175.1-59.70000111.5S263 Q269 A270S263-S266 PolarHBondContact O-N 3.16Å; S263-S266 VanDerWaalsContact O-N 3.15Å; S263-S266 WeakPolarHBondContact OG-CB 3.44Å; S263-S266 PolarHBondContact OG-N 3.34Å; S263-S266 VanDerWaalsContact OG-N 3.14Å; S263-S266 PolarHBondContact OG-OG 2.85Å; S266-Q269 PolarHBondContact O-N 3.46Å; S266-A270 WeakPolarHBondContact O-CB 3.49Å; S266-A270 PolarHBondContact O-N 2.68Å
267M93Very high85.8Confident2 Ų267.7 Ų67.71%0.0139%0.388CS..Hα-helixtrans-70.7-40-179.8-167.360.86500112.4V262 S263 L264 S265 A270 Q271 A319 A322 I326 V335 W339V262-M267 HydrophobicContact CB-CE 4.05Å; V262-M267 HydrophobicContact CG1-CE 3.96Å; V262-M267 HydrophobicContact CG2-CE 4.47Å; S263-M267 PolarHBondContact O-N 3.12Å; S263-M267 VanDerWaalsContact O-N 3.09Å; L264-M267 PolarHBondContact O-N 2.86Å; S265-M267 VanDerWaalsContact C-N 3.3Å; S265-M267 PolarHBondContact O-N 2.96Å; M267-A270 PolarHBondContact O-N 2.75Å; M267-Q271 PolarHBondContact O-N 3.48Å; M267-A319 HydrophobicContact CB-CB 3.98Å; M267-A319 HydrophobicContact CG-CB 3.93Å; M267-A322 HydrophobicContact CE-CB 3.51Å; M267-A322 HydrophobicContact CG-CB 4.11Å; M267-A322 HydrophobicContact SD-CB 4.1Å; M267-I326 HydrophobicContact CE-CD1 4.36Å; M267-I326 HydrophobicContact CE-CG2 3.41Å; M267-I326 VanDerWaalsContact CE-CG2 3.41Å; M267-I326 HydrophobicContact SD-CG2 4.05Å; M267-V335 HydrophobicContact CE-CG1 4.38Å; M267-V335 HydrophobicContact SD-CG1 3.65Å; M267-W339 HydrophobicContact SD-CZ2 4.16Å
268L94.2Very high86.9Confident57 Ų5761.2 Ų61.230%0.29836%0.36SS..Hα-helixtrans-65.2-38.8173.3-72.3172.5000112L264 S265 Q271 L272 L316 A319L264-L268 HydrophobicContact CD1-CD1 4.21Å; L264-L268 HydrophobicContact CD1-CG 4.41Å; L264-L268 HydrophobicContact CG-CD1 4.06Å; L264-L268 WeakPolarHBondContact O-CG 3.46Å; L264-L268 PolarHBondContact O-N 3.21Å; S265-L268 PolarHBondContact O-N 3.5Å; L268-Q271 PolarHBondContact O-N 3.5Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 PolarHBondContact O-N 3.21Å; L268-L316 HydrophobicContact CD1-CD2 4.2Å; L268-A319 HydrophobicContact CD2-CB 3.61Å; L268-A319 HydrophobicContact CG-CB 3.66Å
269Q94.9Very high88.2Confident97 Ų9758.2 Ų58.245%0.45334%0.342SS..Hα-helixtrans-63.4-47175.1-175.26247.300110.7S265 S266 Q271 L272 D273S265-Q269 WeakPolarHBondContact O-CB 3.32Å; S265-Q269 PolarHBondContact O-N 2.82Å; S266-Q269 PolarHBondContact O-N 3.46Å; Q269-Q271 VanDerWaalsContact C-N 3.3Å; Q269-Q271 PolarHBondContact O-N 3.25Å; Q269-L272 WeakPolarHBondContact O-CB 3.45Å; Q269-L272 PolarHBondContact O-N 2.87Å; Q269-L272 VanDerWaalsContact O-N 3.08Å; Q269-D273 PolarHBondContact NE2-OD1 2.93Å; Q269-D273 PolarHBondContact O-N 3.47Å
270A94.1Very high89.7Confident18 Ų1849.4 Ų49.415%0.14930%0.304CS..Hα-helixtrans-59.4-41.1176.700000112S266 M267 D273 H274 I326 W339S266-A270 WeakPolarHBondContact O-CB 3.49Å; S266-A270 PolarHBondContact O-N 2.68Å; M267-A270 PolarHBondContact O-N 2.75Å; A270-D273 PolarHBondContact O-N 2.9Å; A270-H274 WeakPolarHBondContact O-CB 3.41Å; A270-H274 PolarHBondContact O-N 3.38Å; A270-I326 HydrophobicContact CB-CD1 4.14Å; A270-W339 HydrophobicContact CB-CH2 3.87Å; A270-W339 HydrophobicContact CB-CZ2 4.28Å
271Q95.6Very high91Very high12 Ų1249.8 Ų49.86%0.05631%0.307CS..Hα-helixtrans-64.3-39.9174.6-174.3173.130.600112.2M267 L268 Q269 H274 C275 S315 W339 S342M267-Q271 PolarHBondContact O-N 3.48Å; L268-Q271 PolarHBondContact O-N 3.5Å; Q269-Q271 VanDerWaalsContact C-N 3.3Å; Q269-Q271 PolarHBondContact O-N 3.25Å; Q271-H274 PolarHBondContact O-N 2.97Å; Q271-C275 PolarHBondContact O-N 3.48Å; Q271-C275 PolarHBondContact O-SG 3.35Å; Q271-C275 VanDerWaalsContact O-SG 3.37Å; Q271-S315 VanDerWaalsContact CD-OG 3.31Å; Q271-S315 PolarHBondContact NE2-OG 3.24Å; Q271-S315 VanDerWaalsContact NE2-OG 3.09Å; Q271-S315 PolarHBondContact OE1-OG 3.24Å; Q271-W339 HydrophobicContact CB-CD2 4.1Å; Q271-W339 HydrophobicContact CB-CH2 4.45Å; Q271-W339 HydrophobicContact CB-CZ2 3.89Å; Q271-W339 HydrophobicContact CG-CD2 3.89Å; Q271-W339 HydrophobicContact CG-CG 3.87Å; Q271-W339 VanDerWaalsContact NE2-CD1 3.33Å; Q271-S342 PolarHBondContact NE2-OG 3.3Å; Q271-S342 VanDerWaalsContact NE2-OG 3.12Å
272L94.5Very high92.3Very high82 Ų8247.2 Ų47.243%0.42929%0.288SS..Hα-helixtrans-66.5-43177179.361.7000111.7L268 Q269 H274 C275 L276L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 PolarHBondContact O-N 3.21Å; Q269-L272 WeakPolarHBondContact O-CB 3.45Å; Q269-L272 PolarHBondContact O-N 2.87Å; Q269-L272 VanDerWaalsContact O-N 3.08Å; L272-H274 VanDerWaalsContact C-N 3.3Å; L272-H274 PolarHBondContact O-N 3.43Å; L272-C275 PolarHBondContact O-N 3.22Å; L272-L276 HydrophobicContact CD1-CD1 4.39Å; L272-L276 HydrophobicContact CD1-CG 4.48Å; L272-L276 HydrophobicContact CG-CD1 4.16Å; L272-L276 WeakPolarHBondContact O-CG 3.38Å; L272-L276 PolarHBondContact O-N 2.87Å
273D94.6Very high93Very high79 Ų7945.8 Ų45.842%0.42228%0.279SS..Hα-helixtrans-60.8-41.9176.4-66-22.8000110.5Q269 A270 L276 A277Q269-D273 PolarHBondContact NE2-OD1 2.93Å; Q269-D273 PolarHBondContact O-N 3.47Å; A270-D273 PolarHBondContact O-N 2.9Å; D273-L276 PolarHBondContact O-N 3.12Å; D273-A277 VanDerWaalsContact O-CB 3.31Å; D273-A277 WeakPolarHBondContact O-CB 3.36Å; D273-A277 PolarHBondContact O-N 3.32Å
274H94.3Very high93.4Very high10 Ų1045.5 Ų45.55%0.04627%0.273CS..Hα-helixtrans-59.5-52.1170.6166.377.7000112.4A270 Q271 L272 L276 A277 D278 W339 D343A270-H274 WeakPolarHBondContact O-CB 3.41Å; A270-H274 PolarHBondContact O-N 3.38Å; Q271-H274 PolarHBondContact O-N 2.97Å; L272-H274 VanDerWaalsContact C-N 3.3Å; L272-H274 PolarHBondContact O-N 3.43Å; H274-L276 PolarHBondContact O-N 2.99Å; H274-A277 PolarHBondContact O-N 2.95Å; H274-A277 VanDerWaalsContact O-N 3.11Å; H274-D278 IonicContact CE1-OD2 3.53Å; H274-D278 PolarHBondContact CE1-OD2 3.42Å; H274-D278 IonicContact NE2-OD2 2.77Å; H274-D278 WeakPolarHBondContact O-CB 3.23Å; H274-D278 PolarHBondContact O-N 2.84Å; H274-W339 HydrophobicContact CB-CE3 3.49Å; H274-W339 VanDerWaalsContact CB-CE3 3.49Å; H274-W339 HydrophobicContact CB-CH2 4.42Å; H274-W339 HydrophobicContact CB-CZ3 3.34Å; H274-W339 AromaticContact CD2-CE3 3.57Å; H274-W339 AromaticContact CG-CE3 3.38Å; H274-W339 AromaticContact CG-CZ3 3.73Å; H274-D343 IonicContact CD2-OD1 3.2Å; H274-D343 IonicContact CD2-OD2 2.83Å; H274-D343 IonicContact CE1-OD2 3.58Å; H274-D343 IonicContact NE2-OD1 3.65Å; H274-D343 IonicContact NE2-OD2 3.59Å; H274-D343 PolarHBondContact NE2-OD2 2.65Å
275C93.8Very high93.7Very high13 Ų1346.1 Ų46.19%0.08828%0.28CS..Iπ-helixtrans-56-40.5179-77.80000112Q271 L272 L279 L284Q271-C275 PolarHBondContact O-N 3.48Å; Q271-C275 PolarHBondContact O-SG 3.35Å; Q271-C275 VanDerWaalsContact O-SG 3.37Å; L272-C275 PolarHBondContact O-N 3.22Å; C275-L279 WeakPolarHBondContact O-CB 3Å; C275-L279 PolarHBondContact O-N 3.49Å; C275-L279 VanDerWaalsContact O-N 3.09Å; C275-L284 HydrophobicContact CB-CD2 4.41Å
276L93.7Very high94Very high71 Ų7143.1 Ų43.137%0.37226%0.257SS..Iπ-helixtrans-68.3-41.1177.9-75.4167000112.4L272 D273 H274 S280 P281 L284L272-L276 HydrophobicContact CD1-CD1 4.39Å; L272-L276 HydrophobicContact CD1-CG 4.48Å; L272-L276 HydrophobicContact CG-CD1 4.16Å; L272-L276 WeakPolarHBondContact O-CG 3.38Å; L272-L276 PolarHBondContact O-N 2.87Å; D273-L276 PolarHBondContact O-N 3.12Å; H274-L276 PolarHBondContact O-N 2.99Å; L276-S280 WeakPolarHBondContact O-CA 3.43Å; L276-S280 PolarHBondContact O-N 2.84Å; L276-P281 HydrophobicContact CD2-CG 4.31Å; L276-L284 HydrophobicContact CD2-CD1 3.55Å; L276-L284 HydrophobicContact CG-CD1 4.03Å
277A92.7Very high94.2Very high88 Ų8841 Ų4173%0.72724%0.243SC*.Iπ-helixtrans-74.7-45.1-179.200000112.5D273 H274D273-A277 VanDerWaalsContact O-CB 3.31Å; D273-A277 WeakPolarHBondContact O-CB 3.36Å; D273-A277 PolarHBondContact O-N 3.32Å; H274-A277 PolarHBondContact O-N 2.95Å; H274-A277 VanDerWaalsContact O-N 3.11Å
278D93.3Very high94.3Very high9 Ų942.4 Ų42.45%0.04826%0.258CS..Iπ-helixtrans-87-43.9-171.5-164.331.1000113S116 R117 L118 H274 M386S116-D278 WeakPolarHBondContact CB-OD2 3.29Å; R117-D278 WeakPolarHBondContact CA-OD1 3.48Å; R117-D278 WeakPolarHBondContact CB-OD1 3.47Å; R117-D278 PolarHBondContact N-OD1 3.23Å; L118-D278 WeakPolarHBondContact CB-OD2 3.38Å; L118-D278 PolarHBondContact N-OD2 2.96Å; H274-D278 IonicContact CE1-OD2 3.53Å; H274-D278 PolarHBondContact CE1-OD2 3.42Å; H274-D278 IonicContact NE2-OD2 2.77Å; H274-D278 WeakPolarHBondContact O-CB 3.23Å; H274-D278 PolarHBondContact O-N 2.84Å; D278-M386 WeakPolarHBondContact O-CE 3.41Å
279L93.5Very high94.1Very high0 Ų042.1 Ų42.10%026%0.256CS..Iπ-helixtrans-91.9-15.4-178.1-60.2-178.6000113.7C275 V283 D343 V346C275-L279 WeakPolarHBondContact O-CB 3Å; C275-L279 PolarHBondContact O-N 3.49Å; C275-L279 VanDerWaalsContact O-N 3.09Å; L279-V283 HydrophobicContact CB-CB 4.36Å; L279-V283 HydrophobicContact CB-CG1 4.17Å; L279-V283 VanDerWaalsContact O-CB 3.25Å; L279-V283 WeakPolarHBondContact O-CB 3.08Å; L279-V283 WeakPolarHBondContact O-CG2 3.49Å; L279-D343 HydrophobicContact CD1-CB 4.14Å; L279-V346 HydrophobicContact CD1-CB 4.05Å; L279-V346 HydrophobicContact CD1-CG1 3.73Å
280S91.4Very high93.8Very high23 Ų2337.5 Ų37.516%0.16124%0.235CC..  trans72.2150.1-174.681.40000116L276 V283L276-S280 WeakPolarHBondContact O-CA 3.43Å; L276-S280 PolarHBondContact O-N 2.84Å; S280-V283 PolarHBondContact O-N 3.12Å
281P93.8Very high93.6Very high73 Ų7338.5 Ų38.547%0.47424%0.238SC..Hα-helixtrans-58.2-39.8179.5-2432.8000115.9L276 V283 L284 V285L276-P281 HydrophobicContact CD2-CG 4.31Å; P281-V283 PolarHBondContact O-N 3Å; P281-L284 PolarHBondContact O-N 3.33Å; P281-L284 VanDerWaalsContact O-N 3.16Å; P281-V285 WeakPolarHBondContact O-CG2 3.21Å; P281-V285 PolarHBondContact O-N 2.86Å
282P93.4Very high93.3Very high58 Ų5842.7 Ų42.738%0.37726%0.26SS..Hα-helixtrans-56-33.6176.8-27.735.7000113.8V285 L286 F378P282-V285 PolarHBondContact O-N 3Å; P282-L286 WeakPolarHBondContact O-CG 3.07Å; P282-L286 PolarHBondContact O-N 3.09Å; P282-F378 HydrophobicContact CB-CZ 4.49Å
283V94.9Very high92.9Very high0 Ų041.8 Ų41.80%025%0.252CS..Hα-helixtrans-68.8-43.1178.9173.60000111.2L112 L279 S280 P281 V285 L286 A287 V346 A350 L382L112-V283 HydrophobicContact CD1-CB 4.34Å; L112-V283 HydrophobicContact CD1-CG1 3.78Å; L112-V283 HydrophobicContact CD1-CG2 3.6Å; L112-V283 HydrophobicContact CD2-CG2 3.6Å; L112-V283 HydrophobicContact CG-CG2 4.26Å; L279-V283 HydrophobicContact CB-CB 4.36Å; L279-V283 HydrophobicContact CB-CG1 4.17Å; L279-V283 VanDerWaalsContact O-CB 3.25Å; L279-V283 WeakPolarHBondContact O-CB 3.08Å; L279-V283 WeakPolarHBondContact O-CG2 3.49Å; S280-V283 PolarHBondContact O-N 3.12Å; P281-V283 PolarHBondContact O-N 3Å; V283-V285 VanDerWaalsContact C-N 3.33Å; V283-V285 PolarHBondContact O-N 2.93Å; V283-L286 PolarHBondContact O-N 3.33Å; V283-A287 PolarHBondContact O-N 3.26Å; V283-V346 HydrophobicContact CG1-CG1 4.17Å; V283-A350 HydrophobicContact CG1-CB 3.81Å; V283-L382 HydrophobicContact CG2-CD2 4.07Å
284L95.3Very high92.4Very high49 Ų4938 Ų3826%0.25723%0.232SC..Hα-helixtrans-64.2-39.5176.4-59.7-176.5000111.7C275 L276 P281 A287 G288 V346C275-L284 HydrophobicContact CB-CD2 4.41Å; L276-L284 HydrophobicContact CD2-CD1 3.55Å; L276-L284 HydrophobicContact CG-CD1 4.03Å; P281-L284 PolarHBondContact O-N 3.33Å; P281-L284 VanDerWaalsContact O-N 3.16Å; L284-A287 PolarHBondContact O-N 3.23Å; L284-G288 PolarHBondContact O-N 2.97Å; L284-V346 HydrophobicContact CD2-CG1 3.83Å
285V95.6Very high92Very high91 Ų9142 Ų4255%0.55225%0.254SS*.Hα-helixtrans-61.2-46.2173.9173.30000110.6P281 P282 V283 A287 G288 I289P281-V285 WeakPolarHBondContact O-CG2 3.21Å; P281-V285 PolarHBondContact O-N 2.86Å; P282-V285 PolarHBondContact O-N 3Å; V283-V285 VanDerWaalsContact C-N 3.33Å; V283-V285 PolarHBondContact O-N 2.93Å; V285-A287 PolarHBondContact O-N 2.92Å; V285-G288 PolarHBondContact O-N 3.48Å; V285-I289 HydrophobicContact CG1-CD1 3.83Å; V285-I289 HydrophobicContact CG1-CG1 4.44Å; V285-I289 VanDerWaalsContact O-CG1 3.29Å; V285-I289 WeakPolarHBondContact O-CG1 3.38Å; V285-I289 PolarHBondContact O-N 2.94Å
286L95.6Very high91.3Very high18 Ų1850.2 Ų50.29%0.09428%0.283CS..Hα-helixtrans-63.2-39.8176.5-74.2171.6000112.4L108 P282 V283 G288 I289 G290 A350 G353 L354 F378L108-L286 HydrophobicContact CD2-CD1 3.88Å; P282-L286 WeakPolarHBondContact O-CG 3.07Å; P282-L286 PolarHBondContact O-N 3.09Å; V283-L286 PolarHBondContact O-N 3.33Å; L286-G288 VanDerWaalsContact C-N 3.34Å; L286-G288 PolarHBondContact O-N 3.46Å; L286-I289 PolarHBondContact O-N 2.95Å; L286-G290 PolarHBondContact O-N 3.43Å; L286-A350 HydrophobicContact CB-CB 3.97Å; L286-G353 WeakPolarHBondContact O-CA 3.21Å; L286-L354 HydrophobicContact CD2-CB 4.38Å; L286-F378 HydrophobicContact CD1-CE1 3.62Å; L286-F378 HydrophobicContact CD1-CZ 3.95Å
287A96Very high90.4Very high11 Ų1148.3 Ų48.39%0.09127%0.273CS..Hα-helixtrans-62-43175.300000111.5V283 L284 V285 G290 L291 V346 L349 A350V283-A287 PolarHBondContact O-N 3.26Å; L284-A287 PolarHBondContact O-N 3.23Å; V285-A287 PolarHBondContact O-N 2.92Å; A287-G290 PolarHBondContact O-N 2.95Å; A287-L291 PolarHBondContact O-N 2.82Å; A287-V346 HydrophobicContact CB-CG1 4.21Å; A287-L349 HydrophobicContact CB-CB 3.95Å; A287-A350 HydrophobicContact CB-CB 4.26Å
288G94.6Very high89.4Confident32 Ų3255.1 Ų55.133%0.3328%0.28SS..Hα-helixtrans-61.8-44.8173.400000112.9L284 V285 L286 G290 L291 L292L284-G288 PolarHBondContact O-N 2.97Å; V285-G288 PolarHBondContact O-N 3.48Å; L286-G288 VanDerWaalsContact C-N 3.34Å; L286-G288 PolarHBondContact O-N 3.46Å; G288-G290 VanDerWaalsContact C-N 3.31Å; G288-G290 PolarHBondContact O-N 2.97Å; G288-L291 PolarHBondContact O-N 2.84Å; G288-L292 WeakPolarHBondContact O-CG 3.26Å; G288-L292 PolarHBondContact O-N 3.47Å
289I91Very high88.4Confident50 Ų5058.4 Ų58.426%0.25630%0.301SS..Hα-helixtrans-59.9-42.7174.1-70167.5000110.8V285 L286 L291 L292 F293V285-I289 HydrophobicContact CG1-CD1 3.83Å; V285-I289 HydrophobicContact CG1-CG1 4.44Å; V285-I289 VanDerWaalsContact O-CG1 3.29Å; V285-I289 WeakPolarHBondContact O-CG1 3.38Å; V285-I289 PolarHBondContact O-N 2.94Å; L286-I289 PolarHBondContact O-N 2.95Å; I289-L291 VanDerWaalsContact C-N 3.33Å; I289-L291 PolarHBondContact O-N 2.95Å; I289-L292 PolarHBondContact O-N 3.46Å; I289-F293 HydrophobicContact CG2-CD2 3.45Å; I289-F293 VanDerWaalsContact CG2-CD2 3.45Å; I289-F293 HydrophobicContact CG2-CE2 3.36Å; I289-F293 HydrophobicContact CG2-CG 4.26Å; I289-F293 HydrophobicContact CG2-CZ 4.12Å; I289-F293 WeakPolarHBondContact O-CB 3.37Å; I289-F293 PolarHBondContact O-N 3.37Å
290G87.6Confident87.8Confident0 Ų058.4 Ų58.40%030%0.301CS..Hα-helixtrans-59.1-43.117600000112.5L286 A287 G288 S294L286-G290 PolarHBondContact O-N 3.43Å; A287-G290 PolarHBondContact O-N 2.95Å; G288-G290 VanDerWaalsContact C-N 3.31Å; G288-G290 PolarHBondContact O-N 2.97Å; G290-S294 VanDerWaalsContact O-CB 3.31Å; G290-S294 WeakPolarHBondContact O-CB 3.49Å; G290-S294 PolarHBondContact O-N 3.39Å
291L90.8Very high87.5Confident40 Ų4059 Ų5921%0.20930%0.304CS..Hα-helixtrans-65.8-48.4175.5-174.160.1000111.8A287 G288 I289 S294 W305 T308A287-L291 PolarHBondContact O-N 2.82Å; G288-L291 PolarHBondContact O-N 2.84Å; I289-L291 VanDerWaalsContact C-N 3.33Å; I289-L291 PolarHBondContact O-N 2.95Å; L291-S294 WeakPolarHBondContact O-CB 3.36Å; L291-S294 PolarHBondContact O-N 3.39Å; L291-S294 PolarHBondContact O-OG 3.36Å; L291-W305 HydrophobicContact CD1-CD2 3.84Å; L291-W305 HydrophobicContact CD1-CE3 3.99Å; L291-W305 HydrophobicContact CD1-CG 4.45Å; L291-W305 HydrophobicContact CD1-CH2 3.98Å; L291-W305 HydrophobicContact CD1-CZ2 3.8Å; L291-W305 HydrophobicContact CD1-CZ3 4.07Å; L291-W305 HydrophobicContact CD2-CH2 4.17Å; L291-W305 HydrophobicContact CD2-CZ3 4.38Å; L291-W305 HydrophobicContact CG-CH2 4.19Å; L291-W305 HydrophobicContact CG-CZ2 4.15Å; L291-T308 WeakPolarHBondContact CD1-OG1 3.35Å; L291-T308 HydrophobicContact CD2-CG2 4.16Å
292L89.6Confident87.3Confident99 Ų9957.1 Ų57.152%0.51829%0.293SS..Hα-helixtrans-60.3-49.8179.8-71.5172.5000111.4G288 I289 S294 L295 W296G288-L292 WeakPolarHBondContact O-CG 3.26Å; G288-L292 PolarHBondContact O-N 3.47Å; I289-L292 PolarHBondContact O-N 3.46Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-S294 PolarHBondContact O-N 2.7Å; L292-L295 VanDerWaalsContact O-CB 3.29Å; L292-L295 WeakPolarHBondContact O-CB 3.35Å; L292-L295 PolarHBondContact O-N 3.08Å; L292-L295 VanDerWaalsContact O-N 3.12Å; L292-W296 WeakPolarHBondContact O-CZ3 3.29Å
293F85.4Confident87.3Confident63 Ų6354.4 Ų54.428%0.27628%0.275SS..Hα-helixtrans-68.6-25.5180-70.7-19.1000113.7I289 L295 W296 D297 H356 A357I289-F293 HydrophobicContact CG2-CD2 3.45Å; I289-F293 VanDerWaalsContact CG2-CD2 3.45Å; I289-F293 HydrophobicContact CG2-CE2 3.36Å; I289-F293 HydrophobicContact CG2-CG 4.26Å; I289-F293 HydrophobicContact CG2-CZ 4.12Å; I289-F293 WeakPolarHBondContact O-CB 3.37Å; I289-F293 PolarHBondContact O-N 3.37Å; F293-L295 PolarHBondContact O-N 3.24Å; F293-W296 PolarHBondContact O-N 3.06Å; F293-D297 PolarHBondContact O-N 2.75Å; F293-D297 VanDerWaalsContact O-N 3.13Å; F293-H356 HydrophobicContact CB-CB 3.94Å; F293-H356 HydrophobicContact CD2-CB 3.87Å; F293-H356 HydrophobicContact CG-CB 4.4Å; F293-A357 HydrophobicContact CE2-CB 4.35Å
294S85.5Confident87.2Confident0 Ų054.4 Ų54.40%028%0.275CS..Hα-helixtrans-61.6-22.9172.283.90000113.1G290 L291 L292 W296 D297 C301G290-S294 VanDerWaalsContact O-CB 3.31Å; G290-S294 WeakPolarHBondContact O-CB 3.49Å; G290-S294 PolarHBondContact O-N 3.39Å; L291-S294 WeakPolarHBondContact O-CB 3.36Å; L291-S294 PolarHBondContact O-N 3.39Å; L291-S294 PolarHBondContact O-OG 3.36Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-S294 PolarHBondContact O-N 2.7Å; S294-W296 VanDerWaalsContact C-N 3.28Å; S294-W296 PolarHBondContact O-N 3.5Å; S294-D297 PolarHBondContact O-N 2.05Å; S294-C301 WeakPolarHBondContact O-CA 3.06Å; S294-C301 WeakPolarHBondContact O-CB 3.39Å; S294-C301 PolarHBondContact O-SG 3.05Å
295L84.4Confident87.2Confident95 Ų9557.4 Ų57.450%0.49728%0.283SS..THydrogen-bonded Turntrans-67-29.9173.5-67.4170.4000112.7L292 F293 W305L292-L295 VanDerWaalsContact O-CB 3.29Å; L292-L295 WeakPolarHBondContact O-CB 3.35Å; L292-L295 PolarHBondContact O-N 3.08Å; L292-L295 VanDerWaalsContact O-N 3.12Å; F293-L295 PolarHBondContact O-N 3.24Å; L295-W305 HydrophobicContact CD1-CZ2 4.49Å; L295-W305 HydrophobicContact CD2-CZ2 3.71Å; L295-W305 HydrophobicContact CG-CZ2 4.21Å
296W79.3Confident87.2Confident184 Ų18453.7 Ų53.770%0.69726%0.26SS*.THydrogen-bonded Turntrans-95.3-14.5178.8-76.3-81.9000113.6L292 F293 S294L292-W296 WeakPolarHBondContact O-CZ3 3.29Å; F293-W296 PolarHBondContact O-N 3.06Å; S294-W296 VanDerWaalsContact C-N 3.28Å; S294-W296 PolarHBondContact O-N 3.5Å
297D75.3Confident87.2Confident31 Ų3152.9 Ų52.917%0.16626%0.256CS..  trans-113.4100.8178.3-161-26.6000112F293 S294 T299 C300 C301 H356F293-D297 PolarHBondContact O-N 2.75Å; F293-D297 VanDerWaalsContact O-N 3.13Å; S294-D297 PolarHBondContact O-N 2.05Å; D297-T299 PolarHBondContact O-N 3.46Å; D297-T299 VanDerWaalsContact O-N 3.09Å; D297-T299 WeakPolarHBondContact OD1-CB 3.45Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.45Å; D297-T299 PolarHBondContact OD1-N 2.89Å; D297-T299 PolarHBondContact OD1-OG1 3.11Å; D297-T299 PolarHBondContact OD2-OG1 3.2Å; D297-C300 PolarHBondContact O-N 3.34Å; D297-C301 WeakPolarHBondContact O-CB 3.2Å; D297-C301 PolarHBondContact O-N 3.23Å; D297-H356 IonicContact OD2-CD2 3.69Å; D297-H356 IonicContact OD2-NE2 2.93Å
298R72.3Confident87.2Confident231 Ų23153.1 Ų53.187%0.87226%0.256SS*.THydrogen-bonded Turntrans-61.8-18.4179.6-69.6-168.2174.9178.8-0.5113.5
299T72.1Confident87.4Confident79 Ų7953.3 Ų53.349%0.48525%0.254SS..THydrogen-bonded Turntrans-70.7-33.8-179.665.50000112.3H147 D297H147-T299 PolarHBondContact CD2-O 2.86Å; H147-T299 PolarHBondContact NE2-O 3.22Å; D297-T299 PolarHBondContact O-N 3.46Å; D297-T299 VanDerWaalsContact O-N 3.09Å; D297-T299 WeakPolarHBondContact OD1-CB 3.45Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.45Å; D297-T299 PolarHBondContact OD1-N 2.89Å; D297-T299 PolarHBondContact OD1-OG1 3.11Å; D297-T299 PolarHBondContact OD2-OG1 3.2Å
300C80Confident87.6Confident0 Ų051 Ų510%024%0.242CC..THydrogen-bonded Turntrans-112.4-18.8-177.9-63.30000113.5D297 S302 V303 S304D297-C300 PolarHBondContact O-N 3.34Å; C300-S302 PolarHBondContact O-N 3.01Å; C300-V303 PolarHBondContact O-N 3.16Å; C300-S304 PolarHBondContact O-N 3.35Å; C300-S304 PolarHBondContact O-OG 3.39Å
301C85.9Confident88.1Confident34 Ų3452.5 Ų52.523%0.2325%0.251CS..Hα-helixtrans-40.1-56.8-177-166.30000114.1S294 D297 V303 S304 W305S294-C301 WeakPolarHBondContact O-CA 3.06Å; S294-C301 WeakPolarHBondContact O-CB 3.39Å; S294-C301 PolarHBondContact O-SG 3.05Å; D297-C301 WeakPolarHBondContact O-CB 3.2Å; D297-C301 PolarHBondContact O-N 3.23Å; C301-V303 VanDerWaalsContact C-N 3.31Å; C301-V303 PolarHBondContact O-N 3.44Å; C301-S304 PolarHBondContact O-N 3.4Å; C301-W305 VanDerWaalsContact O-CD1 3.24Å; C301-W305 PolarHBondContact O-N 3.4Å
302S89.1Confident88.4Confident34 Ų3455.4 Ų55.424%0.23827%0.266CS..Hα-helixtrans-64.1-34.5-174.6-175.60000113.2W186 C300 L306W186-S302 WeakPolarHBondContact CZ2-OG 3.35Å; W186-S302 PolarHBondContact NE1-OG 3.39Å; C300-S302 PolarHBondContact O-N 3.01Å; S302-L306 VanDerWaalsContact O-CB 3.3Å; S302-L306 WeakPolarHBondContact O-CB 3.28Å; S302-L306 PolarHBondContact O-N 3.22Å
303V92.3Very high88.7Confident1 Ų153.9 Ų53.91%0.00626%0.261CS..Hα-helixtrans-81.3-41.1-177.7-179.90000110L99 T143 H147 C300 C301 W305 L306 L307L99-V303 HydrophobicContact CD1-CB 4.35Å; L99-V303 HydrophobicContact CD1-CG1 3.94Å; L99-V303 HydrophobicContact CD2-CB 4.28Å; L99-V303 HydrophobicContact CD2-CG1 4.47Å; L99-V303 HydrophobicContact CD2-CG2 4.11Å; T143-V303 HydrophobicContact CG2-CG1 4.21Å; T143-V303 HydrophobicContact CG2-CG2 4.5Å; H147-V303 HydrophobicContact CB-CG2 3.62Å; C300-V303 PolarHBondContact O-N 3.16Å; C301-V303 VanDerWaalsContact C-N 3.31Å; C301-V303 PolarHBondContact O-N 3.44Å; V303-W305 PolarHBondContact O-N 2.89Å; V303-L306 WeakPolarHBondContact O-CB 3.18Å; V303-L306 PolarHBondContact O-N 3.44Å; V303-L307 HydrophobicContact CG1-CD1 4.26Å; V303-L307 HydrophobicContact CG1-CG 4.4Å; V303-L307 WeakPolarHBondContact O-CG 3.49Å; V303-L307 PolarHBondContact O-N 2.92Å
304S93.8Very high89.2Confident0 Ų051 Ų510%025%0.248CC..Hα-helixtrans-58.2-46.8175-60.50000111.9C300 C301 L306 L307 T308C300-S304 PolarHBondContact O-N 3.35Å; C300-S304 PolarHBondContact O-OG 3.39Å; C301-S304 PolarHBondContact O-N 3.4Å; S304-L306 VanDerWaalsContact C-N 3.33Å; S304-L306 PolarHBondContact O-N 3.4Å; S304-L307 PolarHBondContact O-N 3.25Å; S304-T308 PolarHBondContact O-N 3.35Å; S304-T308 PolarHBondContact O-OG1 3.36Å; S304-T308 VanDerWaalsContact O-OG1 3.04Å
305W94.4Very high89.6Confident112 Ų11251.7 Ų51.742%0.42425%0.252SS..Hα-helixtrans-66.9-33.3177.3-80.6106.3000113.4L291 L295 C301 V303 T308 A309L291-W305 HydrophobicContact CD1-CD2 3.84Å; L291-W305 HydrophobicContact CD1-CE3 3.99Å; L291-W305 HydrophobicContact CD1-CG 4.45Å; L291-W305 HydrophobicContact CD1-CH2 3.98Å; L291-W305 HydrophobicContact CD1-CZ2 3.8Å; L291-W305 HydrophobicContact CD1-CZ3 4.07Å; L291-W305 HydrophobicContact CD2-CH2 4.17Å; L291-W305 HydrophobicContact CD2-CZ3 4.38Å; L291-W305 HydrophobicContact CG-CH2 4.19Å; L291-W305 HydrophobicContact CG-CZ2 4.15Å; L295-W305 HydrophobicContact CD1-CZ2 4.49Å; L295-W305 HydrophobicContact CD2-CZ2 3.71Å; L295-W305 HydrophobicContact CG-CZ2 4.21Å; C301-W305 VanDerWaalsContact O-CD1 3.24Å; C301-W305 PolarHBondContact O-N 3.4Å; V303-W305 PolarHBondContact O-N 2.89Å; W305-T308 PolarHBondContact O-N 3.21Å; W305-A309 WeakPolarHBondContact O-CB 3.31Å; W305-A309 PolarHBondContact O-N 2.9Å
306L95.8Very high90.1Very high13 Ų1351.5 Ų51.57%0.06825%0.252CS..Hα-helixtrans-65.9-44.6174.7-170.172.3000111.2T143 I182 W186 S302 V303 S304 T308 A309 M310T143-L306 HydrophobicContact CG2-CD2 3.56Å; I182-L306 HydrophobicContact CG2-CD1 3.57Å; I182-L306 HydrophobicContact CG2-CG 4.49Å; W186-L306 HydrophobicContact CB-CD1 3.84Å; W186-L306 HydrophobicContact CD2-CD1 4.38Å; W186-L306 HydrophobicContact CD2-CD2 3.81Å; W186-L306 HydrophobicContact CE3-CD2 3.79Å; W186-L306 HydrophobicContact CG-CD1 3.87Å; W186-L306 HydrophobicContact CG-CD2 4.17Å; W186-L306 HydrophobicContact CZ3-CD2 4.23Å; S302-L306 VanDerWaalsContact O-CB 3.3Å; S302-L306 WeakPolarHBondContact O-CB 3.28Å; S302-L306 PolarHBondContact O-N 3.22Å; V303-L306 WeakPolarHBondContact O-CB 3.18Å; V303-L306 PolarHBondContact O-N 3.44Å; S304-L306 VanDerWaalsContact C-N 3.33Å; S304-L306 PolarHBondContact O-N 3.4Å; L306-T308 VanDerWaalsContact C-N 3.33Å; L306-T308 PolarHBondContact O-N 3.33Å; L306-A309 PolarHBondContact O-N 2.83Å; L306-M310 HydrophobicContact CD2-CE 4.02Å; L306-M310 HydrophobicContact CG-CE 3.82Å; L306-M310 HydrophobicContact CG-SD 4.47Å; L306-M310 VanDerWaalsContact O-CG 3.23Å; L306-M310 WeakPolarHBondContact O-CG 3.39Å; L306-M310 PolarHBondContact O-N 2.99Å
307L96.5Very high90.8Very high2 Ų245.6 Ų45.61%0.0123%0.231CC..Hα-helixtrans-61.9-40174.2-68.2173.6000111.8F140 V303 S304 M310 L311 V348 L349F140-L307 HydrophobicContact CD1-CD2 3.59Å; F140-L307 HydrophobicContact CD2-CD2 4Å; F140-L307 HydrophobicContact CE1-CD2 3.41Å; F140-L307 VanDerWaalsContact CE1-CD2 3.41Å; F140-L307 HydrophobicContact CE2-CD2 3.84Å; F140-L307 HydrophobicContact CG-CD2 3.88Å; F140-L307 HydrophobicContact CZ-CD2 3.53Å; V303-L307 HydrophobicContact CG1-CD1 4.26Å; V303-L307 HydrophobicContact CG1-CG 4.4Å; V303-L307 WeakPolarHBondContact O-CG 3.49Å; V303-L307 PolarHBondContact O-N 2.92Å; S304-L307 PolarHBondContact O-N 3.25Å; L307-M310 HydrophobicContact CD2-SD 3.97Å; L307-M310 WeakPolarHBondContact O-CB 3.28Å; L307-M310 PolarHBondContact O-N 3.48Å; L307-L311 WeakPolarHBondContact O-CB 3.42Å; L307-L311 PolarHBondContact O-N 2.92Å; L307-V348 HydrophobicContact CD1-CB 4.42Å; L307-V348 HydrophobicContact CD1-CG1 3.68Å; L307-L349 HydrophobicContact CB-CD2 4.28Å; L307-L349 HydrophobicContact CB-CG 4.43Å; L307-L349 HydrophobicContact CD1-CD2 4.45Å
308T96.4Very high91.5Very high15 Ų1545 Ų459%0.09223%0.227CC..Hα-helixtrans-64.6-42.8174.3-57.90000111.7L291 S304 W305 L306 M310 L311 L312L291-T308 WeakPolarHBondContact CD1-OG1 3.35Å; L291-T308 HydrophobicContact CD2-CG2 4.16Å; S304-T308 PolarHBondContact O-N 3.35Å; S304-T308 PolarHBondContact O-OG1 3.36Å; S304-T308 VanDerWaalsContact O-OG1 3.04Å; W305-T308 PolarHBondContact O-N 3.21Å; L306-T308 VanDerWaalsContact C-N 3.33Å; L306-T308 PolarHBondContact O-N 3.33Å; T308-M310 VanDerWaalsContact C-N 3.32Å; T308-M310 PolarHBondContact O-N 2.98Å; T308-L311 PolarHBondContact O-N 3.47Å; T308-L312 HydrophobicContact CG2-CD1 4.11Å; T308-L312 HydrophobicContact CG2-CG 4.42Å; T308-L312 WeakPolarHBondContact O-CG 3.49Å; T308-L312 PolarHBondContact O-N 3.34Å
309A97.1Very high92.3Very high36 Ų3634.2 Ų34.230%0.29819%0.187SC..Hα-helixtrans-62-41.9176.200000111.5I182 W305 L306 L312 V313I182-A309 HydrophobicContact CG2-CB 4.25Å; W305-A309 WeakPolarHBondContact O-CB 3.31Å; W305-A309 PolarHBondContact O-N 2.9Å; L306-A309 PolarHBondContact O-N 2.83Å; A309-L312 PolarHBondContact O-N 2.93Å; A309-V313 WeakPolarHBondContact O-CB 3.45Å; A309-V313 VanDerWaalsContact O-CG2 3.28Å; A309-V313 WeakPolarHBondContact O-CG2 3.45Å; A309-V313 PolarHBondContact O-N 3.18Å
310M97.1Very high93.1Very high1 Ų138.4 Ų38.41%0.00519%0.194CC..Hα-helixtrans-58.1-50.1173.3-71.5161.1172.400112.5F140 Y179 I182 I183 L306 L307 T308 L312 Y314F140-M310 HydrophobicContact CE1-SD 3.95Å; Y179-M310 HydrophobicContact CD1-CB 3.72Å; Y179-M310 HydrophobicContact CD1-CG 4.01Å; Y179-M310 HydrophobicContact CD2-CG 4.49Å; Y179-M310 HydrophobicContact CD2-SD 4.31Å; Y179-M310 HydrophobicContact CE1-CB 3.6Å; Y179-M310 HydrophobicContact CE1-CG 4.37Å; Y179-M310 WeakPolarHBondContact CE1-O 3.48Å; Y179-M310 HydrophobicContact CE2-CB 4.4Å; Y179-M310 HydrophobicContact CG-CB 4.19Å; Y179-M310 HydrophobicContact CG-CG 4.08Å; Y179-M310 HydrophobicContact CG-SD 4.41Å; I182-M310 HydrophobicContact CB-CG 4.37Å; I182-M310 HydrophobicContact CD1-CB 4.34Å; I182-M310 HydrophobicContact CD1-CG 4Å; I182-M310 HydrophobicContact CG2-CG 4.39Å; I183-M310 HydrophobicContact CB-CE 4.41Å; I183-M310 HydrophobicContact CD1-CE 3.46Å; I183-M310 VanDerWaalsContact CD1-CE 3.46Å; I183-M310 HydrophobicContact CG1-CE 3.02Å; L306-M310 HydrophobicContact CD2-CE 4.02Å; L306-M310 HydrophobicContact CG-CE 3.82Å; L306-M310 HydrophobicContact CG-SD 4.47Å; L306-M310 VanDerWaalsContact O-CG 3.23Å; L306-M310 WeakPolarHBondContact O-CG 3.39Å; L306-M310 PolarHBondContact O-N 2.99Å; L307-M310 HydrophobicContact CD2-SD 3.97Å; L307-M310 WeakPolarHBondContact O-CB 3.28Å; L307-M310 PolarHBondContact O-N 3.48Å; T308-M310 VanDerWaalsContact C-N 3.32Å; T308-M310 PolarHBondContact O-N 2.98Å; M310-L312 PolarHBondContact O-N 3.1Å; M310-Y314 WeakPolarHBondContact O-CB 3.45Å; M310-Y314 PolarHBondContact O-N 3.3Å
311L96.6Very high93.5Very high33 Ų3341.7 Ų41.717%0.17321%0.206CC..Hα-helixtrans-55.1-52176.9171.560.9000111.2L307 T308 S315 S342 A345 V346L307-L311 WeakPolarHBondContact O-CB 3.42Å; L307-L311 PolarHBondContact O-N 2.92Å; T308-L311 PolarHBondContact O-N 3.47Å; L311-S315 VanDerWaalsContact O-CB 3.31Å; L311-S315 WeakPolarHBondContact O-CB 3.45Å; L311-S315 PolarHBondContact O-N 3.39Å; L311-S315 PolarHBondContact O-OG 3.17Å; L311-S342 VanDerWaalsContact CD1-CB 3.43Å; L311-A345 HydrophobicContact CB-CB 4.12Å; L311-V346 HydrophobicContact CD1-CG2 4.23Å; L311-V346 HydrophobicContact CD2-CG2 3.83Å
312L96.7Very high93.4Very high100 Ų10040.4 Ų40.452%0.52420%0.198SC..Hα-helixtrans-65.6-48-176.4-67.6176000112.4T308 A309 M310 Y314 S315 L316T308-L312 HydrophobicContact CG2-CD1 4.11Å; T308-L312 HydrophobicContact CG2-CG 4.42Å; T308-L312 WeakPolarHBondContact O-CG 3.49Å; T308-L312 PolarHBondContact O-N 3.34Å; A309-L312 PolarHBondContact O-N 2.93Å; M310-L312 PolarHBondContact O-N 3.1Å; L312-Y314 VanDerWaalsContact C-N 3.32Å; L312-Y314 PolarHBondContact O-N 2.86Å; L312-S315 PolarHBondContact O-N 2.97Å; L312-L316 VanDerWaalsContact O-CB 3.29Å; L312-L316 WeakPolarHBondContact O-CB 3.47Å; L312-L316 WeakPolarHBondContact O-CG 2.84Å; L312-L316 PolarHBondContact O-N 3.48Å
313V96.4Very high93.3Very high68 Ų6839.6 Ų39.641%0.41219%0.191SC..Hα-helixtrans-62.8-42.9-179.9170.10000110.7I182 A309 F317I182-V313 HydrophobicContact CD1-CB 3.79Å; I182-V313 HydrophobicContact CD1-CG1 4.12Å; I182-V313 HydrophobicContact CD1-CG2 3.86Å; A309-V313 WeakPolarHBondContact O-CB 3.45Å; A309-V313 VanDerWaalsContact O-CG2 3.28Å; A309-V313 WeakPolarHBondContact O-CG2 3.45Å; A309-V313 PolarHBondContact O-N 3.18Å; V313-F317 WeakPolarHBondContact O-CB 3.46Å; V313-F317 PolarHBondContact O-N 3.36Å
314Y95.5Very high93Very high2 Ų240.1 Ų40.11%0.00819%0.194CC..Hα-helixtrans-63.9-52.4178.7-176.1-81.2000111.6L178 Y179 M310 L312 L316 F317 F318 F338 Q341 S342L178-Y314 HydrophobicContact CB-CD2 4.12Å; L178-Y314 HydrophobicContact CD1-CD2 3.65Å; L178-Y314 HydrophobicContact CD1-CE2 4.12Å; L178-Y314 HydrophobicContact CD1-CG 4.28Å; Y179-Y314 HydrophobicContact CD1-CD2 4.32Å; Y179-Y314 AromaticContact CE1-CD2 3.88Å; Y179-Y314 HydrophobicContact CE1-CD2 3.88Å; Y179-Y314 HydrophobicContact CE1-CG 4.01Å; M310-Y314 WeakPolarHBondContact O-CB 3.45Å; M310-Y314 PolarHBondContact O-N 3.3Å; L312-Y314 VanDerWaalsContact C-N 3.32Å; L312-Y314 PolarHBondContact O-N 2.86Å; Y314-L316 PolarHBondContact O-N 3.11Å; Y314-F317 PolarHBondContact O-N 2.93Å; Y314-F318 AromaticContact CD1-CD2 3.72Å; Y314-F318 HydrophobicContact CD1-CD2 3.72Å; Y314-F318 HydrophobicContact CD1-CE2 4.24Å; Y314-F318 HydrophobicContact CD2-CD2 4.06Å; Y314-F318 AromaticContact CD2-CE2 3.88Å; Y314-F318 HydrophobicContact CD2-CE2 3.88Å; Y314-F318 AromaticContact CE1-CD2 3.39Å; Y314-F318 HydrophobicContact CE1-CD2 3.39Å; Y314-F318 AromaticContact CE1-CE2 3.65Å; Y314-F318 HydrophobicContact CE1-CE2 3.65Å; Y314-F318 HydrophobicContact CE1-CG 4.19Å; Y314-F318 AromaticContact CE2-CD2 3.75Å; Y314-F318 HydrophobicContact CE2-CD2 3.75Å; Y314-F318 AromaticContact CE2-CE2 3.23Å; Y314-F318 HydrophobicContact CE2-CE2 3.23Å; Y314-F318 HydrophobicContact CE2-CZ 4.21Å; Y314-F318 HydrophobicContact CG-CD2 4.04Å; Y314-F318 HydrophobicContact CG-CE2 4.33Å; Y314-F318 AromaticContact CZ-CD2 3.4Å; Y314-F318 VanDerWaalsContact CZ-CD2 3.4Å; Y314-F318 AromaticContact CZ-CE2 3.1Å; Y314-F318 AromaticContact CZ-CZ 3.9Å; Y314-F318 WeakPolarHBondContact O-CB 3.36Å; Y314-F318 WeakPolarHBondContact O-CD2 3.43Å; Y314-F318 PolarHBondContact O-N 3.28Å; Y314-F318 VanDerWaalsContact OH-CE2 3.29Å; Y314-F318 WeakPolarHBondContact OH-CE2 3.18Å; Y314-F338 WeakPolarHBondContact CE1-O 3.21Å; Y314-F338 VanDerWaalsContact CZ-O 3.25Å; Y314-F338 PolarHBondContact OH-O 3.33Å; Y314-Q341 HydrophobicContact CD2-CB 4.36Å; Y314-Q341 HydrophobicContact CE1-CB 4.09Å; Y314-Q341 HydrophobicContact CE2-CB 3.88Å; Y314-Q341 VanDerWaalsContact CE2-CD 3.46Å; Y314-Q341 HydrophobicContact CE2-CG 4.07Å; Y314-S342 WeakPolarHBondContact CD1-OG 3.47Å
315S95.5Very high92.6Very high14 Ų1442.4 Ų42.410%0.09821%0.206CC..Hα-helixtrans-59.3-44179-78.60000112.4Q271 L311 L312 A319 S342Q271-S315 VanDerWaalsContact CD-OG 3.31Å; Q271-S315 PolarHBondContact NE2-OG 3.24Å; Q271-S315 VanDerWaalsContact NE2-OG 3.09Å; Q271-S315 PolarHBondContact OE1-OG 3.24Å; L311-S315 VanDerWaalsContact O-CB 3.31Å; L311-S315 WeakPolarHBondContact O-CB 3.45Å; L311-S315 PolarHBondContact O-N 3.39Å; L311-S315 PolarHBondContact O-OG 3.17Å; L312-S315 PolarHBondContact O-N 2.97Å; S315-A319 WeakPolarHBondContact O-CB 3.47Å; S315-A319 PolarHBondContact O-N 3.48Å; S315-S342 PolarHBondContact OG-OG 3.14Å
316L94.9Very high92.3Very high92 Ų9238.7 Ų38.748%0.48219%0.194SC..Hα-helixtrans-66.1-43.4178-71.5170.9000112.3L268 L312 Y314 W320L268-L316 HydrophobicContact CD1-CD2 4.2Å; L312-L316 VanDerWaalsContact O-CB 3.29Å; L312-L316 WeakPolarHBondContact O-CB 3.47Å; L312-L316 WeakPolarHBondContact O-CG 2.84Å; L312-L316 PolarHBondContact O-N 3.48Å; Y314-L316 PolarHBondContact O-N 3.11Å; L316-W320 VanDerWaalsContact O-CB 3.29Å; L316-W320 WeakPolarHBondContact O-CB 3.3Å; L316-W320 PolarHBondContact O-N 3.15Å
317F92.6Very high91.8Very high60 Ų6042.5 Ų42.526%0.26322%0.222SC..Hα-helixtrans-63.6-45.8179-179.3-90.2000111.5L178 F253 V313 Y314 W320 R321L178-F317 HydrophobicContact CD1-CB 4.11Å; L178-F317 HydrophobicContact CD1-CD1 3.52Å; L178-F317 HydrophobicContact CD1-CE1 4.2Å; L178-F317 HydrophobicContact CD1-CG 3.98Å; L178-F317 HydrophobicContact CD2-CB 4.24Å; L178-F317 HydrophobicContact CD2-CD1 3.89Å; L178-F317 HydrophobicContact CD2-CD2 4.07Å; L178-F317 HydrophobicContact CD2-CE1 4.24Å; L178-F317 HydrophobicContact CD2-CE2 4.41Å; L178-F317 HydrophobicContact CD2-CG 3.79Å; L178-F317 HydrophobicContact CD2-CZ 4.49Å; L178-F317 HydrophobicContact CG-CD1 4.32Å; F253-F317 HydrophobicContact CD1-CZ 4.15Å; V313-F317 WeakPolarHBondContact O-CB 3.46Å; V313-F317 PolarHBondContact O-N 3.36Å; Y314-F317 PolarHBondContact O-N 2.93Å; F317-W320 HydrophobicContact CD2-CE3 4.14Å; F317-W320 HydrophobicContact CD2-CZ3 4.26Å; F317-W320 HydrophobicContact CE2-CE3 4.3Å; F317-W320 HydrophobicContact CE2-CZ3 4.06Å; F317-W320 PolarHBondContact O-N 2.89Å; F317-R321 HydrophobicContact CE1-CG 4.2Å; F317-R321 HydrophobicContact CE2-CG 4.29Å; F317-R321 HydrophobicContact CZ-CG 4.05Å; F317-R321 WeakPolarHBondContact O-CB 3.48Å; F317-R321 WeakPolarHBondContact O-CG 3.3Å; F317-R321 PolarHBondContact O-N 3.19Å
318F89.7Confident91.4Very high19 Ų1950 Ų508%0.08325%0.25CC..Hα-helixtrans-65.1-44.8177.9-93.8-79000112.4T175 L178 L255 Y314 W320 R321 A322 F338T175-F318 HydrophobicContact CG2-CE1 4.48Å; T175-F318 HydrophobicContact CG2-CE2 4.25Å; T175-F318 HydrophobicContact CG2-CZ 3.51Å; L178-F318 HydrophobicContact CD1-CD2 4.03Å; L178-F318 HydrophobicContact CD1-CE2 3.73Å; L255-F318 HydrophobicContact CD2-CE1 4.45Å; Y314-F318 AromaticContact CD1-CD2 3.72Å; Y314-F318 HydrophobicContact CD1-CD2 3.72Å; Y314-F318 HydrophobicContact CD1-CE2 4.24Å; Y314-F318 HydrophobicContact CD2-CD2 4.06Å; Y314-F318 AromaticContact CD2-CE2 3.88Å; Y314-F318 HydrophobicContact CD2-CE2 3.88Å; Y314-F318 AromaticContact CE1-CD2 3.39Å; Y314-F318 HydrophobicContact CE1-CD2 3.39Å; Y314-F318 AromaticContact CE1-CE2 3.65Å; Y314-F318 HydrophobicContact CE1-CE2 3.65Å; Y314-F318 HydrophobicContact CE1-CG 4.19Å; Y314-F318 AromaticContact CE2-CD2 3.75Å; Y314-F318 HydrophobicContact CE2-CD2 3.75Å; Y314-F318 AromaticContact CE2-CE2 3.23Å; Y314-F318 HydrophobicContact CE2-CE2 3.23Å; Y314-F318 HydrophobicContact CE2-CZ 4.21Å; Y314-F318 HydrophobicContact CG-CD2 4.04Å; Y314-F318 HydrophobicContact CG-CE2 4.33Å; Y314-F318 AromaticContact CZ-CD2 3.4Å; Y314-F318 VanDerWaalsContact CZ-CD2 3.4Å; Y314-F318 AromaticContact CZ-CE2 3.1Å; Y314-F318 AromaticContact CZ-CZ 3.9Å; Y314-F318 WeakPolarHBondContact O-CB 3.36Å; Y314-F318 WeakPolarHBondContact O-CD2 3.43Å; Y314-F318 PolarHBondContact O-N 3.28Å; Y314-F318 VanDerWaalsContact OH-CE2 3.29Å; Y314-F318 WeakPolarHBondContact OH-CE2 3.18Å; F318-W320 PolarHBondContact O-N 2.93Å; F318-R321 PolarHBondContact O-N 3.48Å; F318-R321 VanDerWaalsContact O-N 3.15Å; F318-A322 VanDerWaalsContact O-CB 3.31Å; F318-A322 WeakPolarHBondContact O-CB 3.47Å; F318-A322 PolarHBondContact O-N 2.99Å; F318-F338 HydrophobicContact CD1-CB 3.9Å; F318-F338 HydrophobicContact CD1-CD1 4.32Å; F318-F338 HydrophobicContact CD1-CG 4.16Å; F318-F338 HydrophobicContact CE1-CB 3.71Å; F318-F338 AromaticContact CE1-CD1 3.33Å; F318-F338 HydrophobicContact CE1-CD1 3.33Å; F318-F338 HydrophobicContact CE1-CE1 4.06Å; F318-F338 AromaticContact CE1-CG 3.6Å; F318-F338 HydrophobicContact CE1-CG 3.6Å; F318-F338 HydrophobicContact CZ-CB 4.26Å; F318-F338 AromaticContact CZ-CD1 3.64Å; F318-F338 HydrophobicContact CZ-CD1 3.64Å; F318-F338 HydrophobicContact CZ-CE1 4.4Å; F318-F338 HydrophobicContact CZ-CG 4.24Å
319A90.8Very high91.1Very high3 Ų352.3 Ų52.33%0.02527%0.265CS..Hα-helixtrans-63.8-30.5178.500000112.4L264 M267 L268 S315L264-A319 HydrophobicContact CD1-CB 3.47Å; L264-A319 VanDerWaalsContact CD1-CB 3.47Å; M267-A319 HydrophobicContact CB-CB 3.98Å; M267-A319 HydrophobicContact CG-CB 3.93Å; L268-A319 HydrophobicContact CD2-CB 3.61Å; L268-A319 HydrophobicContact CG-CB 3.66Å; S315-A319 WeakPolarHBondContact O-CB 3.47Å; S315-A319 PolarHBondContact O-N 3.48Å
320W88.6Confident90.7Very high168 Ų16852.4 Ų52.464%0.63626%0.261SS*.Hα-helixtrans-73.2-34.2174.5172.949.2000113.4L264 L316 F317 F318L264-W320 HydrophobicContact CD1-CB 4.15Å; L316-W320 VanDerWaalsContact O-CB 3.29Å; L316-W320 WeakPolarHBondContact O-CB 3.3Å; L316-W320 PolarHBondContact O-N 3.15Å; F317-W320 HydrophobicContact CD2-CE3 4.14Å; F317-W320 HydrophobicContact CD2-CZ3 4.26Å; F317-W320 HydrophobicContact CE2-CE3 4.3Å; F317-W320 HydrophobicContact CE2-CZ3 4.06Å; F317-W320 PolarHBondContact O-N 2.89Å; F318-W320 PolarHBondContact O-N 2.93Å
321R87.9Confident90.4Very high69 Ų6954.5 Ų54.526%0.2627%0.271SS..Hα-helixtrans-102.3-11.3-171.6-68.2-54.4-52.4172.31115.2F253 F317 F318 N323F253-R321 VanDerWaalsContact CB-NE 3.32Å; F253-R321 VanDerWaalsContact O-CZ 3.31Å; F253-R321 PolarHBondContact O-NE 3.22Å; F253-R321 PolarHBondContact O-NH2 3.25Å; F317-R321 HydrophobicContact CE1-CG 4.2Å; F317-R321 HydrophobicContact CE2-CG 4.29Å; F317-R321 HydrophobicContact CZ-CG 4.05Å; F317-R321 WeakPolarHBondContact O-CB 3.48Å; F317-R321 WeakPolarHBondContact O-CG 3.3Å; F317-R321 PolarHBondContact O-N 3.19Å; F318-R321 PolarHBondContact O-N 3.48Å; F318-R321 VanDerWaalsContact O-N 3.15Å; R321-N323 PolarHBondContact O-N 3.43Å
322A83.9Confident90.1Very high7 Ų755.1 Ų55.16%0.05828%0.275CS..  trans-64.9120.4178.300000111.4L255 M267 F318L255-A322 HydrophobicContact CD1-CB 3.88Å; M267-A322 HydrophobicContact CE-CB 3.51Å; M267-A322 HydrophobicContact CG-CB 4.11Å; M267-A322 HydrophobicContact SD-CB 4.1Å; F318-A322 VanDerWaalsContact O-CB 3.31Å; F318-A322 WeakPolarHBondContact O-CB 3.47Å; F318-A322 PolarHBondContact O-N 2.99Å
323N86.2Confident89.7Confident17 Ų1751 Ų519%0.09126%0.256CS..  trans-122.432.1-174.173.9-50.4000113.3L255 A256 T258 T260 R321L255-N323 WeakPolarHBondContact CA-OD1 3.23Å; L255-N323 WeakPolarHBondContact CB-OD1 3.28Å; L255-N323 PolarHBondContact N-OD1 2.88Å; A256-N323 PolarHBondContact N-OD1 3.25Å; A256-N323 PolarHBondContact O-ND2 3.45Å; T258-N323 PolarHBondContact O-ND2 3.14Å; T258-N323 PolarHBondContact OG1-O 3.23Å; T258-N323 VanDerWaalsContact OG1-O 3.1Å; T260-N323 CarbonylContact O-C 3.1Å; T260-N323 VanDerWaalsContact O-C 3.31Å; T260-N323 VanDerWaalsContact O-CA 3.31Å; T260-N323 WeakPolarHBondContact O-CA 3.32Å; T260-N323 VanDerWaalsContact O-CB 3.32Å; T260-N323 WeakPolarHBondContact O-CB 3.4Å; T260-N323 PolarHBondContact OG1-O 2.88Å; T260-N323 VanDerWaalsContact OG1-O 3.07Å; R321-N323 PolarHBondContact O-N 3.43Å
324L85.9Confident89.4Confident12 Ų1249.1 Ų49.16%0.06325%0.245CC..SBendtrans-112.6139.1176.9-72.5175.5000110.5L255 A256 V262 I326 L331 V334 V335L255-L324 HydrophobicContact CB-CD1 4.39Å; L255-L324 HydrophobicContact CB-CG 4.48Å; L255-L324 HydrophobicContact CD1-CD1 4.46Å; A256-L324 HydrophobicContact CB-CD2 3.6Å; A256-L324 HydrophobicContact CB-CG 4.35Å; V262-L324 WeakPolarHBondContact CG2-O 3.41Å; L324-I326 PolarHBondContact O-N 3.46Å; L324-I326 VanDerWaalsContact O-N 3.09Å; L324-L331 HydrophobicContact CB-CB 4.48Å; L324-L331 HydrophobicContact CD2-CD1 4.49Å; L324-L331 HydrophobicContact CD2-CD2 4.29Å; L324-V334 HydrophobicContact CD1-CB 4.3Å; L324-V334 HydrophobicContact CD1-CG1 3.72Å; L324-V335 HydrophobicContact CB-CG2 3.98Å; L324-V335 HydrophobicContact CD1-CG2 3.97Å
325D86Confident89.2Confident48 Ų4849.2 Ų49.226%0.25725%0.245SC..  trans-7298.9179.3177.610.5000111.8S327 R328 L331D325-S327 PolarHBondContact O-N 3.05Å; D325-S327 VanDerWaalsContact OD1-CB 3.27Å; D325-S327 WeakPolarHBondContact OD1-CB 3.3Å; D325-S327 PolarHBondContact OD1-N 2.89Å; D325-S327 PolarHBondContact OD1-OG 3.11Å; D325-S327 PolarHBondContact OD2-OG 3.27Å; D325-S327 VanDerWaalsContact OD2-OG 3.07Å; D325-R328 PolarHBondContact O-N 3.43Å; D325-R328 IonicContact OD2-NE 3.17Å; D325-L331 HydrophobicContact CB-CD1 4.16Å; D325-L331 WeakPolarHBondContact O-CB 3.43Å
326I87.5Confident89Confident34 Ų3449.8 Ų49.817%0.17425%0.246CC..THydrogen-bonded Turntrans-70.1-5-179.162171.5000114.3V262 M267 A270 L324 R328 L332 V335V262-I326 HydrophobicContact CG1-CD1 3.88Å; V262-I326 HydrophobicContact CG1-CG1 4.06Å; V262-I326 HydrophobicContact CG2-CG1 4.41Å; M267-I326 HydrophobicContact CE-CD1 4.36Å; M267-I326 HydrophobicContact CE-CG2 3.41Å; M267-I326 VanDerWaalsContact CE-CG2 3.41Å; M267-I326 HydrophobicContact SD-CG2 4.05Å; A270-I326 HydrophobicContact CB-CD1 4.14Å; L324-I326 PolarHBondContact O-N 3.46Å; L324-I326 VanDerWaalsContact O-N 3.09Å; I326-R328 PolarHBondContact O-N 2.99Å; I326-L332 HydrophobicContact CB-CD1 4.25Å; I326-L332 HydrophobicContact CG2-CD1 4.31Å; I326-V335 HydrophobicContact CG2-CG2 4.36Å
327S86.6Confident88.9Confident92 Ų9247 Ų4764%0.64323%0.23SC*.THydrogen-bonded Turntrans-70.4-22.2170.572.80000112.1D325D325-S327 PolarHBondContact O-N 3.05Å; D325-S327 VanDerWaalsContact OD1-CB 3.27Å; D325-S327 WeakPolarHBondContact OD1-CB 3.3Å; D325-S327 PolarHBondContact OD1-N 2.89Å; D325-S327 PolarHBondContact OD1-OG 3.11Å; D325-S327 PolarHBondContact OD2-OG 3.27Å; D325-S327 VanDerWaalsContact OD2-OG 3.07Å
328R87.7Confident88.8Confident160 Ų16045.1 Ų45.160%0.60422%0.221SC*.SBendtrans-87.5120.7175.7-60.2-171.8-174.9-162-1.9109.8D325 I326 L330 L331 L332D325-R328 PolarHBondContact O-N 3.43Å; D325-R328 IonicContact OD2-NE 3.17Å; I326-R328 PolarHBondContact O-N 2.99Å; R328-L330 VanDerWaalsContact C-N 3.34Å; R328-L330 PolarHBondContact O-N 3.42Å; R328-L331 HydrophobicContact CB-CB 4.2Å; R328-L331 HydrophobicContact CB-CD1 4.13Å; R328-L331 HydrophobicContact CB-CG 4.03Å; R328-L331 HydrophobicContact CG-CD1 4.43Å; R328-L331 PolarHBondContact O-N 2.81Å; R328-L332 PolarHBondContact O-N 3.49Å
329P89.9Confident89.1Confident64 Ų6444.5 Ų44.542%0.41622%0.218SC..Hα-helixtrans-55.4-42.2-174.7-29.435.6000114.7L331 L332 G333 P558 A559P329-L331 PolarHBondContact O-N 3.39Å; P329-L332 WeakPolarHBondContact O-CB 3.46Å; P329-L332 PolarHBondContact O-N 2.98Å; P329-G333 PolarHBondContact O-N 3.48Å; P329-P558 HydrophobicContact CB-CB 3.8Å; P329-P558 HydrophobicContact CG-CB 4.14Å; P329-A559 HydrophobicContact CB-CB 4.36Å; P329-A559 WeakPolarHBondContact O-CB 3.44Å
330L88.6Confident89.4Confident38 Ų3844.4 Ų44.420%0.19922%0.218CC..Hα-helixtrans-61.3-43.6177.4-176.270.4000111.8R328 L332 G333 V334 W561 V564R328-L330 VanDerWaalsContact C-N 3.34Å; R328-L330 PolarHBondContact O-N 3.42Å; L330-L332 VanDerWaalsContact C-N 3.35Å; L330-G333 PolarHBondContact O-N 3.17Å; L330-V334 WeakPolarHBondContact O-CG2 3.27Å; L330-V334 PolarHBondContact O-N 3.5Å; L330-W561 HydrophobicContact CD1-CD2 4.29Å; L330-W561 HydrophobicContact CD2-CH2 4.3Å; L330-W561 HydrophobicContact CD2-CZ3 4.33Å; L330-V564 HydrophobicContact CD1-CG2 4.08Å; L330-V564 HydrophobicContact CD2-CG2 3.73Å; L330-V564 HydrophobicContact CG-CG2 4.44Å
331L89.9Confident89.7Confident44 Ų4436.6 Ų36.623%0.2319%0.188CC..Hα-helixtrans-70.1-33.7-179.6-62.1-172.4000111.9L324 D325 R328 P329 G333 V334 V335L324-L331 HydrophobicContact CB-CB 4.48Å; L324-L331 HydrophobicContact CD2-CD1 4.49Å; L324-L331 HydrophobicContact CD2-CD2 4.29Å; D325-L331 HydrophobicContact CB-CD1 4.16Å; D325-L331 WeakPolarHBondContact O-CB 3.43Å; R328-L331 HydrophobicContact CB-CB 4.2Å; R328-L331 HydrophobicContact CB-CD1 4.13Å; R328-L331 HydrophobicContact CB-CG 4.03Å; R328-L331 HydrophobicContact CG-CD1 4.43Å; R328-L331 PolarHBondContact O-N 2.81Å; P329-L331 PolarHBondContact O-N 3.39Å; L331-G333 VanDerWaalsContact C-N 3.35Å; L331-V334 PolarHBondContact O-N 3.46Å; L331-V335 WeakPolarHBondContact O-CG2 3.4Å; L331-V335 PolarHBondContact O-N 2.75Å
332L90.7Very high90.1Very high47 Ų4733.3 Ų33.325%0.24618%0.176CC..Hα-helixtrans-59.3-46.7169.4177.361.6000110.8I326 R328 P329 L330 V334 V335 E336 W339I326-L332 HydrophobicContact CB-CD1 4.25Å; I326-L332 HydrophobicContact CG2-CD1 4.31Å; R328-L332 PolarHBondContact O-N 3.49Å; P329-L332 WeakPolarHBondContact O-CB 3.46Å; P329-L332 PolarHBondContact O-N 2.98Å; L330-L332 VanDerWaalsContact C-N 3.35Å; L332-V334 VanDerWaalsContact C-N 3.29Å; L332-V334 PolarHBondContact O-N 2.95Å; L332-V335 PolarHBondContact O-N 2.88Å; L332-E336 HydrophobicContact CD1-CG 4.45Å; L332-E336 HydrophobicContact CG-CG 4.46Å; L332-E336 WeakPolarHBondContact O-CG 3.45Å; L332-E336 PolarHBondContact O-N 3.24Å; L332-W339 HydrophobicContact CD1-CH2 3.99Å
333G88.9Confident90.7Very high12 Ų1233 Ų3312%0.12417%0.173CC..Hα-helixtrans-58.8-37.1174.700000113.6P329 L330 L331 V335 E336P329-G333 PolarHBondContact O-N 3.48Å; L330-G333 PolarHBondContact O-N 3.17Å; L331-G333 VanDerWaalsContact C-N 3.35Å; G333-V335 VanDerWaalsContact C-N 3.31Å; G333-V335 PolarHBondContact O-N 2.86Å; G333-E336 PolarHBondContact O-N 3.2Å
334V89.4Confident91.3Very high30 Ų3032.1 Ų32.118%0.18217%0.169CC..Hα-helixtrans-67.1-30.3174.4174.20000112.3L324 L330 L331 L332 R337 F338L324-V334 HydrophobicContact CD1-CB 4.3Å; L324-V334 HydrophobicContact CD1-CG1 3.72Å; L330-V334 WeakPolarHBondContact O-CG2 3.27Å; L330-V334 PolarHBondContact O-N 3.5Å; L331-V334 PolarHBondContact O-N 3.46Å; L332-V334 VanDerWaalsContact C-N 3.29Å; L332-V334 PolarHBondContact O-N 2.95Å; V334-R337 VanDerWaalsContact O-CD 3.3Å; V334-R337 WeakPolarHBondContact O-CD 3.34Å; V334-R337 WeakPolarHBondContact O-CG 3.27Å; V334-R337 PolarHBondContact O-NE 3.02Å; V334-R337 VanDerWaalsContact O-NE 3.12Å; V334-F338 WeakPolarHBondContact O-CE2 3.48Å
335V91.4Very high91.8Very high3 Ų331.6 Ų31.62%0.01817%0.166CC..Hα-helixtrans-80.2-40.2175.2173.50000111.2L255 M267 L324 I326 L331 L332 G333 R337 F338 W339L255-V335 HydrophobicContact CD1-CG2 4.38Å; M267-V335 HydrophobicContact CE-CG1 4.38Å; M267-V335 HydrophobicContact SD-CG1 3.65Å; L324-V335 HydrophobicContact CB-CG2 3.98Å; L324-V335 HydrophobicContact CD1-CG2 3.97Å; I326-V335 HydrophobicContact CG2-CG2 4.36Å; L331-V335 WeakPolarHBondContact O-CG2 3.4Å; L331-V335 PolarHBondContact O-N 2.75Å; L332-V335 PolarHBondContact O-N 2.88Å; G333-V335 VanDerWaalsContact C-N 3.31Å; G333-V335 PolarHBondContact O-N 2.86Å; V335-R337 PolarHBondContact O-N 3.1Å; V335-R337 VanDerWaalsContact O-N 3.16Å; V335-F338 WeakPolarHBondContact O-CB 3.3Å; V335-F338 PolarHBondContact O-N 3.1Å; V335-W339 HydrophobicContact CG1-CZ2 3.89Å
336E92.1Very high92.4Very high26 Ų2629.8 Ų29.812%0.12116%0.157CC..Hα-helixtrans-51.4-39.8-179.3-87179.5-171.600112.4R117 L118 L332 G333 F338 W339R117-E336 IonicContact CZ-OE2 3.17Å; R117-E336 IonicContact NH1-OE2 2.83Å; R117-E336 IonicContact NH2-OE1 3Å; R117-E336 IonicContact NH2-OE2 3.74Å; R117-E336 PolarHBondContact NH2-OE2 2.93Å; L118-E336 HydrophobicContact CD1-CB 3.95Å; L118-E336 WeakPolarHBondContact CD2-O 3.5Å; L332-E336 HydrophobicContact CD1-CG 4.45Å; L332-E336 HydrophobicContact CG-CG 4.46Å; L332-E336 WeakPolarHBondContact O-CG 3.45Å; L332-E336 PolarHBondContact O-N 3.24Å; G333-E336 PolarHBondContact O-N 3.2Å; E336-F338 PolarHBondContact O-N 2.95Å; E336-W339 HydrophobicContact CB-CE3 4.13Å; E336-W339 HydrophobicContact CB-CZ3 4.26Å; E336-W339 HydrophobicContact CG-CE3 3.62Å; E336-W339 HydrophobicContact CG-CH2 4.1Å; E336-W339 HydrophobicContact CG-CZ3 3.31Å; E336-W339 WeakPolarHBondContact O-CB 3.08Å; E336-W339 PolarHBondContact O-N 3.33Å
337R91.7Very high92.9Very high34 Ų3428.2 Ų28.213%0.12815%0.148CC..G310 helixtrans-56.8-22.8178.774.7-160.7-178.5150.9-4.1114.2D35 W122 E127 F129 V334 V335 W339 L340D35-R337 IonicContact OD2-CZ 3.78Å; D35-R337 IonicContact OD2-NH1 3.38Å; D35-R337 PolarHBondContact OD2-NH1 3.12Å; D35-R337 IonicContact OD2-NH2 3.99Å; D35-R337 PolarHBondContact OD2-NH2 3.09Å; W122-R337 HydrophobicContact CD2-CB 4.32Å; W122-R337 HydrophobicContact CZ2-CB 3.66Å; W122-R337 HydrophobicContact CZ2-CG 4.46Å; E127-R337 IonicContact OE2-NH1 3.53Å; F129-R337 HydrophobicContact CD1-CG 4.47Å; F129-R337 HydrophobicContact CD2-CB 4.32Å; F129-R337 HydrophobicContact CD2-CG 4.48Å; F129-R337 HydrophobicContact CE1-CB 4.3Å; F129-R337 HydrophobicContact CE1-CG 3.76Å; F129-R337 HydrophobicContact CE2-CB 4.12Å; F129-R337 VanDerWaalsContact CE2-CD 3.45Å; F129-R337 HydrophobicContact CE2-CG 3.83Å; F129-R337 HydrophobicContact CZ-CB 4.13Å; F129-R337 HydrophobicContact CZ-CG 3.43Å; F129-R337 VanDerWaalsContact CZ-CG 3.43Å; V334-R337 VanDerWaalsContact O-CD 3.3Å; V334-R337 WeakPolarHBondContact O-CD 3.34Å; V334-R337 WeakPolarHBondContact O-CG 3.27Å; V334-R337 PolarHBondContact O-NE 3.02Å; V334-R337 VanDerWaalsContact O-NE 3.12Å; V335-R337 PolarHBondContact O-N 3.1Å; V335-R337 VanDerWaalsContact O-N 3.16Å; R337-W339 VanDerWaalsContact C-N 3.35Å; R337-L340 WeakPolarHBondContact O-CD1 3.39Å; R337-L340 WeakPolarHBondContact O-CG 3.5Å
338F92.2Very high93.5Very high21 Ų2123.8 Ų23.89%0.09212%0.118CC..G310 helixtrans-80.1-14.2175.1-65.2-81.9000113.1F129 T175 L255 Y314 F318 V334 V335 E336 L340F129-F338 HydrophobicContact CE1-CD1 4.48Å; F129-F338 HydrophobicContact CE1-CE1 4.22Å; F129-F338 HydrophobicContact CE1-CZ 4.48Å; T175-F338 HydrophobicContact CG2-CD1 4.38Å; T175-F338 HydrophobicContact CG2-CE1 4.34Å; L255-F338 HydrophobicContact CD2-CD2 4.25Å; L255-F338 HydrophobicContact CD2-CE1 4.16Å; L255-F338 HydrophobicContact CD2-CE2 3.69Å; L255-F338 HydrophobicContact CD2-CZ 3.64Å; Y314-F338 WeakPolarHBondContact CE1-O 3.21Å; Y314-F338 VanDerWaalsContact CZ-O 3.25Å; Y314-F338 PolarHBondContact OH-O 3.33Å; F318-F338 HydrophobicContact CD1-CB 3.9Å; F318-F338 HydrophobicContact CD1-CD1 4.32Å; F318-F338 HydrophobicContact CD1-CG 4.16Å; F318-F338 HydrophobicContact CE1-CB 3.71Å; F318-F338 AromaticContact CE1-CD1 3.33Å; F318-F338 HydrophobicContact CE1-CD1 3.33Å; F318-F338 HydrophobicContact CE1-CE1 4.06Å; F318-F338 AromaticContact CE1-CG 3.6Å; F318-F338 HydrophobicContact CE1-CG 3.6Å; F318-F338 HydrophobicContact CZ-CB 4.26Å; F318-F338 AromaticContact CZ-CD1 3.64Å; F318-F338 HydrophobicContact CZ-CD1 3.64Å; F318-F338 HydrophobicContact CZ-CE1 4.4Å; F318-F338 HydrophobicContact CZ-CG 4.24Å; V334-F338 WeakPolarHBondContact O-CE2 3.48Å; V335-F338 WeakPolarHBondContact O-CB 3.3Å; V335-F338 PolarHBondContact O-N 3.1Å; E336-F338 PolarHBondContact O-N 2.95Å; F338-L340 VanDerWaalsContact C-N 3.3Å; F338-L340 PolarHBondContact O-N 3.42Å
339W95.2Very high93.9Very high5 Ų516.5 Ų16.52%0.0199%0.091CC..G310 helixtrans-79.6-11178.3-58.2-24.8000113.7L118 M267 A270 Q271 H274 L332 V335 E336 R337 Q341 S342 D343L118-W339 HydrophobicContact CD2-CB 4.38Å; M267-W339 HydrophobicContact SD-CZ2 4.16Å; A270-W339 HydrophobicContact CB-CH2 3.87Å; A270-W339 HydrophobicContact CB-CZ2 4.28Å; Q271-W339 HydrophobicContact CB-CD2 4.1Å; Q271-W339 HydrophobicContact CB-CH2 4.45Å; Q271-W339 HydrophobicContact CB-CZ2 3.89Å; Q271-W339 HydrophobicContact CG-CD2 3.89Å; Q271-W339 HydrophobicContact CG-CG 3.87Å; Q271-W339 VanDerWaalsContact NE2-CD1 3.33Å; H274-W339 HydrophobicContact CB-CE3 3.49Å; H274-W339 VanDerWaalsContact CB-CE3 3.49Å; H274-W339 HydrophobicContact CB-CH2 4.42Å; H274-W339 HydrophobicContact CB-CZ3 3.34Å; H274-W339 AromaticContact CD2-CE3 3.57Å; H274-W339 AromaticContact CG-CE3 3.38Å; H274-W339 AromaticContact CG-CZ3 3.73Å; L332-W339 HydrophobicContact CD1-CH2 3.99Å; V335-W339 HydrophobicContact CG1-CZ2 3.89Å; E336-W339 HydrophobicContact CB-CE3 4.13Å; E336-W339 HydrophobicContact CB-CZ3 4.26Å; E336-W339 HydrophobicContact CG-CE3 3.62Å; E336-W339 HydrophobicContact CG-CH2 4.1Å; E336-W339 HydrophobicContact CG-CZ3 3.31Å; E336-W339 WeakPolarHBondContact O-CB 3.08Å; E336-W339 PolarHBondContact O-N 3.33Å; R337-W339 VanDerWaalsContact C-N 3.35Å; W339-Q341 PolarHBondContact O-N 3.3Å; W339-Q341 VanDerWaalsContact O-N 3.12Å; W339-S342 WeakPolarHBondContact O-CA 3.46Å; W339-S342 WeakPolarHBondContact O-CB 3.29Å; W339-S342 PolarHBondContact O-N 3.16Å; W339-D343 PolarHBondContact O-N 3.34Å
340L96.4Very high94.3Very high2 Ų213.5 Ų13.51%0.017%0.071CC..Hα-helixtrans-49.3-40.4176.5-75170.4000114F113 L118 W122 F129 R337 F338 D343 A344F113-L340 HydrophobicContact CE2-CD2 4.46Å; F113-L340 WeakPolarHBondContact CE2-O 3.35Å; F113-L340 HydrophobicContact CZ-CD2 4.13Å; L118-L340 HydrophobicContact CB-CD2 4.33Å; L118-L340 HydrophobicContact CD2-CD2 3.86Å; L118-L340 HydrophobicContact CD2-CG 3.9Å; L118-L340 HydrophobicContact CG-CD2 3.7Å; L118-L340 HydrophobicContact CG-CG 4.04Å; W122-L340 HydrophobicContact CB-CD1 4.26Å; W122-L340 HydrophobicContact CG-CD1 4.25Å; F129-L340 HydrophobicContact CB-CD1 3.68Å; F129-L340 HydrophobicContact CG-CD1 4.21Å; R337-L340 WeakPolarHBondContact O-CD1 3.39Å; R337-L340 WeakPolarHBondContact O-CG 3.5Å; F338-L340 VanDerWaalsContact C-N 3.3Å; F338-L340 PolarHBondContact O-N 3.42Å; L340-D343 PolarHBondContact O-N 3.47Å; L340-A344 PolarHBondContact O-N 2.93Å
341Q95Very high94.7Very high3 Ų311.7 Ų11.71%0.0146%0.061CC..Hα-helixtrans-71-40.4-179.7-57.9-170.613.900111.4S132 I136 T175 Y179 Y314 W339 D343 A344 A345S132-Q341 PolarHBondContact OG-NE2 3.02Å; I136-Q341 HydrophobicContact CD1-CG 4.33Å; I136-Q341 HydrophobicContact CG1-CG 4.24Å; T175-Q341 PolarHBondContact OG1-NE2 2.78Å; Y179-Q341 VanDerWaalsContact OH-C 3.3Å; Y179-Q341 PolarHBondContact OH-O 3.28Å; Y314-Q341 HydrophobicContact CD2-CB 4.36Å; Y314-Q341 HydrophobicContact CE1-CB 4.09Å; Y314-Q341 HydrophobicContact CE2-CB 3.88Å; Y314-Q341 VanDerWaalsContact CE2-CD 3.46Å; Y314-Q341 HydrophobicContact CE2-CG 4.07Å; W339-Q341 PolarHBondContact O-N 3.3Å; W339-Q341 VanDerWaalsContact O-N 3.12Å; Q341-D343 VanDerWaalsContact C-N 3.34Å; Q341-A344 WeakPolarHBondContact O-CB 3.2Å; Q341-A344 PolarHBondContact O-N 2.77Å; Q341-A345 PolarHBondContact O-N 2.94Å
342S96.1Very high95Very high0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-60-45.8172.4-66.20000110.9Q271 L311 Y314 S315 W339 A344 A345 V346Q271-S342 PolarHBondContact NE2-OG 3.3Å; Q271-S342 VanDerWaalsContact NE2-OG 3.12Å; L311-S342 VanDerWaalsContact CD1-CB 3.43Å; Y314-S342 WeakPolarHBondContact CD1-OG 3.47Å; S315-S342 PolarHBondContact OG-OG 3.14Å; W339-S342 WeakPolarHBondContact O-CA 3.46Å; W339-S342 WeakPolarHBondContact O-CB 3.29Å; W339-S342 PolarHBondContact O-N 3.16Å; S342-A344 VanDerWaalsContact C-N 3.31Å; S342-A344 PolarHBondContact O-N 3.43Å; S342-A345 PolarHBondContact O-N 3.08Å; S342-A345 VanDerWaalsContact O-N 3.16Å; S342-V346 WeakPolarHBondContact O-CG2 3.39Å; S342-V346 PolarHBondContact O-N 3.27Å
343D97.6Very high95.2Very high0 Ų07.3 Ų7.30%04%0.039CC..Hα-helixtrans-61.8-39.1179-67.3-11.7000111.8F113 H274 L279 W339 L340 Q341 A345 V346 C347F113-D343 HydrophobicContact CE2-CB 4.26Å; H274-D343 IonicContact CD2-OD1 3.2Å; H274-D343 IonicContact CD2-OD2 2.83Å; H274-D343 IonicContact CE1-OD2 3.58Å; H274-D343 IonicContact NE2-OD1 3.65Å; H274-D343 IonicContact NE2-OD2 3.59Å; H274-D343 PolarHBondContact NE2-OD2 2.65Å; L279-D343 HydrophobicContact CD1-CB 4.14Å; W339-D343 PolarHBondContact O-N 3.34Å; L340-D343 PolarHBondContact O-N 3.47Å; Q341-D343 VanDerWaalsContact C-N 3.34Å; D343-A345 PolarHBondContact O-N 3.03Å; D343-V346 PolarHBondContact O-N 3.33Å; D343-C347 WeakPolarHBondContact O-CB 3.2Å; D343-C347 PolarHBondContact O-N 3.16Å; D343-C347 PolarHBondContact O-SG 2.97Å
344A97.8Very high95.5Very high0 Ų07.5 Ų7.50%04%0.037CC..Hα-helixtrans-59.6-43.9174.800000112.3F92 F113 I136 F140 L340 Q341 S342 C347 V348F92-A344 HydrophobicContact CE1-CB 3.91Å; F92-A344 HydrophobicContact CE2-CB 4.12Å; F92-A344 HydrophobicContact CZ-CB 3.56Å; F113-A344 HydrophobicContact CD2-CB 4.18Å; F113-A344 HydrophobicContact CE2-CB 3.84Å; F113-A344 HydrophobicContact CZ-CB 4.4Å; I136-A344 HydrophobicContact CG2-CB 4.41Å; F140-A344 HydrophobicContact CE2-CB 4.34Å; L340-A344 PolarHBondContact O-N 2.93Å; Q341-A344 WeakPolarHBondContact O-CB 3.2Å; Q341-A344 PolarHBondContact O-N 2.77Å; S342-A344 VanDerWaalsContact C-N 3.31Å; S342-A344 PolarHBondContact O-N 3.43Å; A344-C347 PolarHBondContact O-N 2.63Å; A344-V348 WeakPolarHBondContact O-CG2 3.5Å; A344-V348 PolarHBondContact O-N 3.32Å; A344-V348 VanDerWaalsContact O-N 3.11Å
345A97.6Very high95.7Very high0 Ų06.3 Ų6.30%03%0.03CC..Hα-helixtrans-64.1-44176.600000111.6F140 L311 Q341 S342 D343 V348 L349F140-A345 HydrophobicContact CE2-CB 4.48Å; F140-A345 HydrophobicContact CZ-CB 4.19Å; L311-A345 HydrophobicContact CB-CB 4.12Å; Q341-A345 PolarHBondContact O-N 2.94Å; S342-A345 PolarHBondContact O-N 3.08Å; S342-A345 VanDerWaalsContact O-N 3.16Å; D343-A345 PolarHBondContact O-N 3.03Å; A345-V348 PolarHBondContact O-N 3.16Å; A345-L349 WeakPolarHBondContact O-CB 3.06Å; A345-L349 VanDerWaalsContact O-CG 3.3Å; A345-L349 WeakPolarHBondContact O-CG 3.2Å; A345-L349 PolarHBondContact O-N 3.41Å
346V97.9Very high95.7Very high11 Ų116.4 Ų6.47%0.0673%0.03CC..Hα-helixtrans-60.6-45.9176174.20000111.2L279 V283 L284 A287 L311 S342 D343 V348 L349 A350L279-V346 HydrophobicContact CD1-CB 4.05Å; L279-V346 HydrophobicContact CD1-CG1 3.73Å; V283-V346 HydrophobicContact CG1-CG1 4.17Å; L284-V346 HydrophobicContact CD2-CG1 3.83Å; A287-V346 HydrophobicContact CB-CG1 4.21Å; L311-V346 HydrophobicContact CD1-CG2 4.23Å; L311-V346 HydrophobicContact CD2-CG2 3.83Å; S342-V346 WeakPolarHBondContact O-CG2 3.39Å; S342-V346 PolarHBondContact O-N 3.27Å; D343-V346 PolarHBondContact O-N 3.33Å; V346-V348 PolarHBondContact O-N 2.86Å; V346-L349 PolarHBondContact O-N 3.46Å; V346-A350 WeakPolarHBondContact O-CB 3.46Å; V346-A350 PolarHBondContact O-N 3.45Å
347C98.3Very high95.6Very high0 Ų06.1 Ų6.10%03%0.032CC..Hα-helixtrans-60.4-43.6179-69.40000112.2A109 L112 F113 D343 A344 A350 G351A109-C347 WeakPolarHBondContact CA-O 3.44Å; L112-C347 HydrophobicContact CB-CB 4.44Å; F113-C347 HydrophobicContact CB-CB 4.31Å; D343-C347 WeakPolarHBondContact O-CB 3.2Å; D343-C347 PolarHBondContact O-N 3.16Å; D343-C347 PolarHBondContact O-SG 2.97Å; A344-C347 PolarHBondContact O-N 2.63Å; C347-A350 PolarHBondContact O-N 3Å; C347-G351 PolarHBondContact O-N 3.13Å
348V98Very high95.4Very high0 Ų06.3 Ų6.30%03%0.034CC..Hα-helixtrans-66.6-43.1177172.60000111.3F92 T95 V96 A109 F140 L307 A344 A345 V346 A350 G351 L352F92-V348 HydrophobicContact CB-CG2 3.96Å; F92-V348 HydrophobicContact CD1-CG2 3.91Å; F92-V348 HydrophobicContact CG-CG2 4.18Å; T95-V348 HydrophobicContact CG2-CG1 4.09Å; V96-V348 HydrophobicContact CG2-CG1 4.04Å; A109-V348 HydrophobicContact CB-CG2 4.49Å; F140-V348 HydrophobicContact CD2-CG2 3.99Å; F140-V348 HydrophobicContact CE2-CG2 4.33Å; L307-V348 HydrophobicContact CD1-CB 4.42Å; L307-V348 HydrophobicContact CD1-CG1 3.68Å; A344-V348 WeakPolarHBondContact O-CG2 3.5Å; A344-V348 PolarHBondContact O-N 3.32Å; A344-V348 VanDerWaalsContact O-N 3.11Å; A345-V348 PolarHBondContact O-N 3.16Å; V346-V348 PolarHBondContact O-N 2.86Å; V348-A350 VanDerWaalsContact C-N 3.32Å; V348-A350 PolarHBondContact O-N 3.22Å; V348-G351 PolarHBondContact O-N 3.05Å; V348-L352 HydrophobicContact CG1-CD1 4.34Å; V348-L352 WeakPolarHBondContact O-CG 3.49Å; V348-L352 PolarHBondContact O-N 2.82Å
349L97.5Very high95.1Very high7 Ų76.7 Ų6.74%0.0374%0.04CC..Hα-helixtrans-61.8-39.5175.7-72.7171000111.9A287 L307 A345 V346 L352 G353A287-L349 HydrophobicContact CB-CB 3.95Å; L307-L349 HydrophobicContact CB-CD2 4.28Å; L307-L349 HydrophobicContact CB-CG 4.43Å; L307-L349 HydrophobicContact CD1-CD2 4.45Å; A345-L349 WeakPolarHBondContact O-CB 3.06Å; A345-L349 VanDerWaalsContact O-CG 3.3Å; A345-L349 WeakPolarHBondContact O-CG 3.2Å; A345-L349 PolarHBondContact O-N 3.41Å; V346-L349 PolarHBondContact O-N 3.46Å; L349-L352 PolarHBondContact O-N 2.83Å; L349-G353 PolarHBondContact O-N 2.94Å
350A97.8Very high94.7Very high0 Ų08.8 Ų8.80%05%0.049CC..Hα-helixtrans-65.1-42.4175.300000112.2L112 V283 L286 A287 V346 C347 V348 L352 G353 L354L112-A350 HydrophobicContact CD1-CB 4.26Å; V283-A350 HydrophobicContact CG1-CB 3.81Å; L286-A350 HydrophobicContact CB-CB 3.97Å; A287-A350 HydrophobicContact CB-CB 4.26Å; V346-A350 WeakPolarHBondContact O-CB 3.46Å; V346-A350 PolarHBondContact O-N 3.45Å; C347-A350 PolarHBondContact O-N 3Å; V348-A350 VanDerWaalsContact C-N 3.32Å; V348-A350 PolarHBondContact O-N 3.22Å; A350-L352 PolarHBondContact O-N 3.01Å; A350-G353 WeakPolarHBondContact O-CA 3.49Å; A350-G353 PolarHBondContact O-N 2.95Å; A350-G353 VanDerWaalsContact O-N 3.13Å; A350-L354 PolarHBondContact O-N 3.21Å
351G97.4Very high94.2Very high0 Ų012.1 Ų12.10%07%0.065CC..Hα-helixtrans-60.4-43.4173.500000112.7G105 C347 V348 G353 L354 S355G105-G351 VanDerWaalsContact CA-O 3.32Å; G105-G351 WeakPolarHBondContact CA-O 3.48Å; G105-G351 WeakPolarHBondContact O-CA 3.43Å; C347-G351 PolarHBondContact O-N 3.13Å; V348-G351 PolarHBondContact O-N 3.05Å; G351-G353 VanDerWaalsContact C-N 3.35Å; G351-L354 PolarHBondContact O-N 3.34Å; G351-S355 PolarHBondContact O-N 3.46Å; G351-S355 PolarHBondContact O-OG 2.98Å
352L95.9Very high93.8Very high0 Ų016.6 Ų16.60%09%0.086CC..Hα-helixtrans-61.3-43.5171.3-68.4172.8000111.1V96 L99 T100 V348 L349 A350 L354 S355 H356V96-L352 HydrophobicContact CG1-CD2 4.19Å; V96-L352 HydrophobicContact CG2-CD2 4.37Å; V96-L352 HydrophobicContact CG2-CG 4.32Å; L99-L352 HydrophobicContact CB-CD2 3.93Å; L99-L352 HydrophobicContact CD1-CD1 4.01Å; L99-L352 HydrophobicContact CD1-CD2 3.8Å; L99-L352 HydrophobicContact CD1-CG 4.49Å; T100-L352 HydrophobicContact CG2-CD2 3.66Å; V348-L352 HydrophobicContact CG1-CD1 4.34Å; V348-L352 WeakPolarHBondContact O-CG 3.49Å; V348-L352 PolarHBondContact O-N 2.82Å; L349-L352 PolarHBondContact O-N 2.83Å; A350-L352 PolarHBondContact O-N 3.01Å; L352-L354 PolarHBondContact O-N 3.41Å; L352-S355 PolarHBondContact O-N 3.3Å; L352-S355 VanDerWaalsContact O-N 3.17Å; L352-H356 PolarHBondContact O-N 3.4Å; L352-H356 PolarHBondContact O-ND1 3.49Å
353G95.6Very high93.3Very high0 Ų024.8 Ų24.80%012%0.117CC..Hα-helixtrans-54.6-48.1176.100000113.2L286 L349 A350 G351 S355 H356 A357L286-G353 WeakPolarHBondContact O-CA 3.21Å; L349-G353 PolarHBondContact O-N 2.94Å; A350-G353 WeakPolarHBondContact O-CA 3.49Å; A350-G353 PolarHBondContact O-N 2.95Å; A350-G353 VanDerWaalsContact O-N 3.13Å; G351-G353 VanDerWaalsContact C-N 3.35Å; G353-S355 PolarHBondContact O-N 3.46Å; G353-H356 PolarHBondContact O-N 3.37Å; G353-A357 VanDerWaalsContact O-CB 3.28Å; G353-A357 WeakPolarHBondContact O-CB 3.44Å; G353-A357 PolarHBondContact O-N 2.93Å
354L95.6Very high92.8Very high15 Ų1535.3 Ų35.38%0.07916%0.157CC..Hα-helixtrans-65.4-38.3176.7-177.360.4000112.3P104 L108 L286 A350 G351 L352 H358 F378 T379P104-L354 HydrophobicContact CB-CD2 4.23Å; L108-L354 HydrophobicContact CB-CD2 4.31Å; L108-L354 HydrophobicContact CD2-CB 4.03Å; L108-L354 HydrophobicContact CD2-CD2 3.74Å; L286-L354 HydrophobicContact CD2-CB 4.38Å; A350-L354 PolarHBondContact O-N 3.21Å; G351-L354 PolarHBondContact O-N 3.34Å; L352-L354 PolarHBondContact O-N 3.41Å; L354-H358 PolarHBondContact O-N 2.94Å; L354-H358 PolarHBondContact O-ND1 3.03Å; L354-F378 HydrophobicContact CD1-CD1 4.45Å; L354-F378 HydrophobicContact CD2-CD1 4.23Å; L354-T379 VanDerWaalsContact CD2-OG1 3.27Å; L354-T379 WeakPolarHBondContact CD2-OG1 3.32Å
355S93.5Very high92.3Very high6 Ų640.5 Ų40.54%0.04218%0.184CC..Hα-helixtrans-62.9-43.4175.4-72.60000112.6T100 G351 L352 G353 H358 S359T100-S355 WeakPolarHBondContact OG1-CB 3.19Å; T100-S355 PolarHBondContact OG1-OG 3.43Å; T100-S355 VanDerWaalsContact OG1-OG 3.06Å; G351-S355 PolarHBondContact O-N 3.46Å; G351-S355 PolarHBondContact O-OG 2.98Å; L352-S355 PolarHBondContact O-N 3.3Å; L352-S355 VanDerWaalsContact O-N 3.17Å; G353-S355 PolarHBondContact O-N 3.46Å; S355-H358 PolarHBondContact O-CE1 3.37Å; S355-H358 PolarHBondContact O-ND1 3.33Å; S355-S359 PolarHBondContact O-N 2.9Å; S355-S359 PolarHBondContact O-OG 2.95Å
356H90.8Very high91.5Very high4 Ų442 Ų422%0.01920%0.2CC..Hα-helixtrans-73.5-37.3179-68.590.4000112.1F293 D297 L352 G353 S359 K360F293-H356 HydrophobicContact CB-CB 3.94Å; F293-H356 HydrophobicContact CD2-CB 3.87Å; F293-H356 HydrophobicContact CG-CB 4.4Å; D297-H356 IonicContact OD2-CD2 3.69Å; D297-H356 IonicContact OD2-NE2 2.93Å; L352-H356 PolarHBondContact O-N 3.4Å; L352-H356 PolarHBondContact O-ND1 3.49Å; G353-H356 PolarHBondContact O-N 3.37Å; H356-S359 WeakPolarHBondContact CA-OG 3.36Å; H356-S359 PolarHBondContact O-N 2.88Å; H356-S359 PolarHBondContact O-OG 3.11Å; H356-K360 WeakPolarHBondContact O-CB 3.2Å; H356-K360 VanDerWaalsContact O-CG 3.26Å; H356-K360 WeakPolarHBondContact O-CG 3.29Å; H356-K360 PolarHBondContact O-N 3.42Å
357A90.3Very high90.8Very high20 Ų2048.4 Ų48.417%0.16523%0.228CC..Hα-helixtrans-59.5-52.1178.500000111.4F293 G353 S359 K360 M361F293-A357 HydrophobicContact CE2-CB 4.35Å; G353-A357 VanDerWaalsContact O-CB 3.28Å; G353-A357 WeakPolarHBondContact O-CB 3.44Å; G353-A357 PolarHBondContact O-N 2.93Å; A357-S359 PolarHBondContact O-N 2.71Å; A357-K360 PolarHBondContact O-N 2.84Å; A357-M361 VanDerWaalsContact O-CG 3.24Å; A357-M361 WeakPolarHBondContact O-CG 3.48Å; A357-M361 PolarHBondContact O-N 2.93Å
358H86.8Confident90Very high38 Ų3849.2 Ų49.218%0.17624%0.237CC..Hα-helixtrans-66.3-37.9-178.276.8-112.9000112.3L354 S355 K360 M361 E362 W371L354-H358 PolarHBondContact O-N 2.94Å; L354-H358 PolarHBondContact O-ND1 3.03Å; S355-H358 PolarHBondContact O-CE1 3.37Å; S355-H358 PolarHBondContact O-ND1 3.33Å; H358-K360 VanDerWaalsContact C-N 3.34Å; H358-K360 PolarHBondContact O-N 2.88Å; H358-M361 PolarHBondContact O-N 3.44Å; H358-E362 WeakPolarHBondContact O-CB 3.37Å; H358-E362 PolarHBondContact O-N 3.07Å; H358-W371 HydrophobicContact CB-CB 4.29Å
359S86Confident89.5Confident29 Ų2951.8 Ų51.820%0.20326%0.264CS..Hα-helixtrans-69.2-33.1179.9580000112.2S355 H356 A357 R363S355-S359 PolarHBondContact O-N 2.9Å; S355-S359 PolarHBondContact O-OG 2.95Å; H356-S359 WeakPolarHBondContact CA-OG 3.36Å; H356-S359 PolarHBondContact O-N 2.88Å; H356-S359 PolarHBondContact O-OG 3.11Å; A357-S359 PolarHBondContact O-N 2.71Å; S359-R363 WeakPolarHBondContact O-CG 3.33Å; S359-R363 PolarHBondContact O-N 3.07Å
360K86.3Confident89.2Confident49 Ų4956 Ų5621%0.21329%0.286CS..Hα-helixtrans-68.9-43.4171.1-73.4-74.7-177.6168.90111.8H356 A357 H358 E362 R363 W364H356-K360 WeakPolarHBondContact O-CB 3.2Å; H356-K360 VanDerWaalsContact O-CG 3.26Å; H356-K360 WeakPolarHBondContact O-CG 3.29Å; H356-K360 PolarHBondContact O-N 3.42Å; A357-K360 PolarHBondContact O-N 2.84Å; H358-K360 VanDerWaalsContact C-N 3.34Å; H358-K360 PolarHBondContact O-N 2.88Å; K360-E362 VanDerWaalsContact C-N 3.33Å; K360-E362 PolarHBondContact O-N 2.86Å; K360-R363 PolarHBondContact O-N 3.47Å; K360-R363 VanDerWaalsContact O-N 3.17Å; K360-W364 PolarHBondContact O-N 3.1Å
361M86.4Confident88.8Confident73 Ų7358.3 Ų58.336%0.3629%0.294SS..Hα-helixtrans-62.3-40.3176.9-68.5-178.487.200111.9A357 H358 R363 W364 L365 W371A357-M361 VanDerWaalsContact O-CG 3.24Å; A357-M361 WeakPolarHBondContact O-CG 3.48Å; A357-M361 PolarHBondContact O-N 2.93Å; H358-M361 PolarHBondContact O-N 3.44Å; M361-R363 VanDerWaalsContact C-N 3.35Å; M361-R363 PolarHBondContact O-N 2.91Å; M361-W364 PolarHBondContact O-N 2.67Å; M361-L365 HydrophobicContact CE-CD1 4.44Å; M361-L365 PolarHBondContact O-N 3.46Å; M361-W371 HydrophobicContact CB-CD2 3.84Å; M361-W371 HydrophobicContact CB-CE3 4.32Å; M361-W371 HydrophobicContact CB-CG 3.99Å; M361-W371 HydrophobicContact CE-CD2 4.08Å; M361-W371 HydrophobicContact CE-CE3 3.48Å; M361-W371 VanDerWaalsContact CE-CE3 3.48Å; M361-W371 HydrophobicContact CE-CH2 3.29Å; M361-W371 HydrophobicContact CE-CZ2 3.88Å; M361-W371 HydrophobicContact CE-CZ3 3.07Å; M361-W371 HydrophobicContact SD-CD2 4.29Å; M361-W371 HydrophobicContact SD-CE3 3.81Å; M361-W371 HydrophobicContact SD-CZ3 4.01Å
362E87.1Confident88.5Confident96 Ų9663 Ų6345%0.44932%0.315SS..Hα-helixtrans-59.5-44.2172.5177174.5-162.600111.9H358 K360 W364 G366 G368H358-E362 WeakPolarHBondContact O-CB 3.37Å; H358-E362 PolarHBondContact O-N 3.07Å; K360-E362 VanDerWaalsContact C-N 3.33Å; K360-E362 PolarHBondContact O-N 2.86Å; E362-W364 VanDerWaalsContact C-N 3.3Å; E362-W364 PolarHBondContact O-N 2.98Å; E362-G366 VanDerWaalsContact O-CA 3.27Å; E362-G366 WeakPolarHBondContact O-CA 3.4Å; E362-G366 PolarHBondContact O-N 2.84Å; E362-G368 VanDerWaalsContact CD-CA 3.43Å; E362-G368 WeakPolarHBondContact OE1-CA 3.25Å
363R85.6Confident88.4Confident173 Ų17367 Ų6765%0.65334%0.34SS*.Hα-helixtrans-65.6-30.5177.1-72.1177.3-169.8170.59.5113.3S359 K360 M361S359-R363 WeakPolarHBondContact O-CG 3.33Å; S359-R363 PolarHBondContact O-N 3.07Å; K360-R363 PolarHBondContact O-N 3.47Å; K360-R363 VanDerWaalsContact O-N 3.17Å; M361-R363 VanDerWaalsContact C-N 3.35Å; M361-R363 PolarHBondContact O-N 2.91Å
364W86.3Confident88.3Confident221 Ų22170.9 Ų70.984%0.83736%0.359SS*.Hα-helixtrans-90.7-42.3-175.4-78.221.9000113.5K360 M361 E362K360-W364 PolarHBondContact O-N 3.1Å; M361-W364 PolarHBondContact O-N 2.67Å; E362-W364 VanDerWaalsContact C-N 3.3Å; E362-W364 PolarHBondContact O-N 2.98Å
365L87.4Confident88.3Confident109 Ų10970.4 Ų70.457%0.57136%0.358SS*.Hα-helixtrans-114.1-1.7-169.5-62.2171.4000113M361 H367 W371M361-L365 HydrophobicContact CE-CD1 4.44Å; M361-L365 PolarHBondContact O-N 3.46Å; L365-H367 PolarHBondContact O-ND1 3.29Å; L365-W371 HydrophobicContact CB-CZ2 4.03Å; L365-W371 HydrophobicContact CD1-CH2 4.03Å; L365-W371 HydrophobicContact CD1-CZ2 3.49Å; L365-W371 VanDerWaalsContact CD1-CZ2 3.49Å; L365-W371 HydrophobicContact CG-CZ2 4.4Å
366G81.9Confident88.5Confident32 Ų3273.7 Ų73.733%0.3337%0.369SS..  trans66.4-163.8-170.700000112.3E362 W371E362-G366 VanDerWaalsContact O-CA 3.27Å; E362-G366 WeakPolarHBondContact O-CA 3.4Å; E362-G366 PolarHBondContact O-N 2.84Å; G366-W371 VanDerWaalsContact O-CD1 3.23Å; G366-W371 PolarHBondContact O-NE1 2.85Å
367H83.3Confident88.8Confident144 Ų14478.1 Ų78.167%0.66740%0.396SS*.  trans60.450.4175.3-5484.5000115.5L365 G369 L370 W371L365-H367 PolarHBondContact O-ND1 3.29Å; H367-G369 PolarHBondContact O-N 3.37Å; H367-G369 VanDerWaalsContact O-N 3.1Å; H367-L370 HydrophobicContact CB-CB 4.06Å; H367-L370 WeakPolarHBondContact O-CB 3.23Å; H367-L370 PolarHBondContact O-N 3.36Å; H367-W371 PolarHBondContact O-N 3.3Å
368G81.7Confident89Confident17 Ų1780.8 Ų80.818%0.17540%0.404CS..Hα-helixtrans-51.2-36.8-179.400000115.3E362 L370 W371 K372E362-G368 VanDerWaalsContact CD-CA 3.43Å; E362-G368 WeakPolarHBondContact OE1-CA 3.25Å; G368-L370 VanDerWaalsContact C-N 3.33Å; G368-L370 PolarHBondContact O-N 3.43Å; G368-W371 PolarHBondContact O-N 2.87Å; G368-K372 WeakPolarHBondContact O-CB 3.36Å; G368-K372 PolarHBondContact O-N 3.36Å
369G87Confident89.5Confident55 Ų5579 Ų7957%0.56740%0.396SS*.Hα-helixtrans-61.3-37.5175.600000113.7H367 T373H367-G369 PolarHBondContact O-N 3.37Å; H367-G369 VanDerWaalsContact O-N 3.1Å; G369-T373 WeakPolarHBondContact O-CB 3.37Å; G369-T373 PolarHBondContact O-N 3.49Å; G369-T373 PolarHBondContact O-OG1 3.11Å
370L90.3Very high90.1Very high95 Ų9582.8 Ų82.850%0.49741%0.414SS..Hα-helixtrans-67.3-51.7178.1178.464.1000110.7H367 G368 K372 T373 I374H367-L370 HydrophobicContact CB-CB 4.06Å; H367-L370 WeakPolarHBondContact O-CB 3.23Å; H367-L370 PolarHBondContact O-N 3.36Å; G368-L370 VanDerWaalsContact C-N 3.33Å; G368-L370 PolarHBondContact O-N 3.43Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 3.49Å; L370-T373 WeakPolarHBondContact O-CB 3.25Å; L370-T373 PolarHBondContact O-N 2.87Å; L370-T373 VanDerWaalsContact O-N 3.11Å; L370-I374 HydrophobicContact CD1-CD1 4.11Å; L370-I374 HydrophobicContact CD1-CG1 4.41Å; L370-I374 HydrophobicContact CG-CD1 3.92Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 3.42Å
371W90.6Very high90.6Very high48 Ų4883.3 Ų83.318%0.18243%0.427CS..Hα-helixtrans-63.3-37.4-179.1-60.6116.5000112.8H358 M361 L365 G366 H367 G368 I374 G375H358-W371 HydrophobicContact CB-CB 4.29Å; M361-W371 HydrophobicContact CB-CD2 3.84Å; M361-W371 HydrophobicContact CB-CE3 4.32Å; M361-W371 HydrophobicContact CB-CG 3.99Å; M361-W371 HydrophobicContact CE-CD2 4.08Å; M361-W371 HydrophobicContact CE-CE3 3.48Å; M361-W371 VanDerWaalsContact CE-CE3 3.48Å; M361-W371 HydrophobicContact CE-CH2 3.29Å; M361-W371 HydrophobicContact CE-CZ2 3.88Å; M361-W371 HydrophobicContact CE-CZ3 3.07Å; M361-W371 HydrophobicContact SD-CD2 4.29Å; M361-W371 HydrophobicContact SD-CE3 3.81Å; M361-W371 HydrophobicContact SD-CZ3 4.01Å; L365-W371 HydrophobicContact CB-CZ2 4.03Å; L365-W371 HydrophobicContact CD1-CH2 4.03Å; L365-W371 HydrophobicContact CD1-CZ2 3.49Å; L365-W371 VanDerWaalsContact CD1-CZ2 3.49Å; L365-W371 HydrophobicContact CG-CZ2 4.4Å; G366-W371 VanDerWaalsContact O-CD1 3.23Å; G366-W371 PolarHBondContact O-NE1 2.85Å; H367-W371 PolarHBondContact O-N 3.3Å; G368-W371 PolarHBondContact O-N 2.87Å; W371-I374 HydrophobicContact CE3-CD1 3.78Å; W371-I374 HydrophobicContact CZ3-CD1 3.82Å; W371-I374 PolarHBondContact O-N 3.33Å; W371-G375 PolarHBondContact O-N 2.65Å
372K89.6Confident91.1Very high100 Ų10080.6 Ų80.644%0.43541%0.414SS..Hα-helixtrans-64.6-40.6173.6-170.8173.4-176.4172.90111.8G368 L370 G375 W376G368-K372 WeakPolarHBondContact O-CB 3.36Å; G368-K372 PolarHBondContact O-N 3.36Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 3.49Å; K372-G375 PolarHBondContact O-N 3.33Å; K372-W376 PolarHBondContact O-N 3.13Å
373T93.6Very high91.6Very high84 Ų8477.1 Ų77.152%0.51540%0.398SS..Hα-helixtrans-65.7-45176.5-56.80000111.2G369 L370 G375 W376 V377G369-T373 WeakPolarHBondContact O-CB 3.37Å; G369-T373 PolarHBondContact O-N 3.49Å; G369-T373 PolarHBondContact O-OG1 3.11Å; L370-T373 WeakPolarHBondContact O-CB 3.25Å; L370-T373 PolarHBondContact O-N 2.87Å; L370-T373 VanDerWaalsContact O-N 3.11Å; T373-G375 VanDerWaalsContact C-N 3.3Å; T373-G375 PolarHBondContact O-N 3.11Å; T373-W376 PolarHBondContact O-N 3.06Å; T373-V377 WeakPolarHBondContact O-CG2 3.24Å; T373-V377 PolarHBondContact O-N 3.13Å
374I94.5Very high92.2Very high81 Ų8171 Ų7142%0.41539%0.389SS..Hα-helixtrans-58.2-44.8174.3-68.3167.9000110.5L370 W371 W376 V377 F378L370-I374 HydrophobicContact CD1-CD1 4.11Å; L370-I374 HydrophobicContact CD1-CG1 4.41Å; L370-I374 HydrophobicContact CG-CD1 3.92Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 3.42Å; W371-I374 HydrophobicContact CE3-CD1 3.78Å; W371-I374 HydrophobicContact CZ3-CD1 3.82Å; W371-I374 PolarHBondContact O-N 3.33Å; I374-W376 VanDerWaalsContact C-N 3.35Å; I374-W376 PolarHBondContact O-N 2.83Å; I374-V377 PolarHBondContact O-N 2.97Å; I374-F378 WeakPolarHBondContact O-CB 3.29Å; I374-F378 PolarHBondContact O-N 3.21Å
375G95.4Very high92.6Very high4 Ų466.7 Ų66.74%0.04138%0.378CS..Hα-helixtrans-57.6-44.6175.800000112.7P104 W371 K372 T373 F378 T379P104-G375 VanDerWaalsContact CB-C 3.49Å; W371-G375 PolarHBondContact O-N 2.65Å; K372-G375 PolarHBondContact O-N 3.33Å; T373-G375 VanDerWaalsContact C-N 3.3Å; T373-G375 PolarHBondContact O-N 3.11Å; G375-F378 PolarHBondContact O-N 2.96Å; G375-T379 WeakPolarHBondContact O-CB 3.45Å; G375-T379 PolarHBondContact O-N 3.19Å; G375-T379 PolarHBondContact O-OG1 3.44Å
376W96.7Very high93.1Very high76 Ų7662.2 Ų62.229%0.28835%0.354SS..Hα-helixtrans-64.7-45.7175.8-81.2117.6000113.2L11 P104 V107 K372 T373 I374 F378 T379 L380L11-W376 HydrophobicContact CD1-CH2 4.22Å; P104-W376 HydrophobicContact CB-CD2 3.79Å; P104-W376 HydrophobicContact CB-CE3 4Å; P104-W376 HydrophobicContact CB-CG 4.06Å; P104-W376 HydrophobicContact CB-CZ3 4.49Å; P104-W376 HydrophobicContact CG-CD2 4.45Å; P104-W376 HydrophobicContact CG-CG 4.46Å; V107-W376 HydrophobicContact CB-CH2 4.18Å; V107-W376 HydrophobicContact CB-CZ3 3.86Å; V107-W376 HydrophobicContact CG1-CZ3 4.26Å; V107-W376 HydrophobicContact CG2-CH2 3.51Å; V107-W376 HydrophobicContact CG2-CZ3 3.62Å; K372-W376 PolarHBondContact O-N 3.13Å; T373-W376 PolarHBondContact O-N 3.06Å; I374-W376 VanDerWaalsContact C-N 3.35Å; I374-W376 PolarHBondContact O-N 2.83Å; W376-F378 VanDerWaalsContact C-N 3.31Å; W376-F378 PolarHBondContact O-N 2.71Å; W376-T379 PolarHBondContact O-N 3.19Å; W376-L380 WeakPolarHBondContact O-CB 3.49Å; W376-L380 VanDerWaalsContact O-CG 3.3Å; W376-L380 WeakPolarHBondContact O-CG 3.39Å; W376-L380 PolarHBondContact O-N 2.99Å
377V97.1Very high93.8Very high96 Ų9661.3 Ų61.358%0.58235%0.345SS*.Hα-helixtrans-60-45.2177.4172.10000110.2T373 I374 L380 A381T373-V377 WeakPolarHBondContact O-CG2 3.24Å; T373-V377 PolarHBondContact O-N 3.13Å; I374-V377 PolarHBondContact O-N 2.97Å; V377-L380 PolarHBondContact O-N 3.06Å; V377-A381 WeakPolarHBondContact O-CB 3.24Å; V377-A381 PolarHBondContact O-N 3.36Å
378F96.2Very high94.4Very high77 Ų7764.8 Ų64.834%0.33835%0.352SS..Hα-helixtrans-60.3-50.1176.2174.7-95.5000111.9P282 L286 L354 I374 G375 W376 L380 A381 L382P282-F378 HydrophobicContact CB-CZ 4.49Å; L286-F378 HydrophobicContact CD1-CE1 3.62Å; L286-F378 HydrophobicContact CD1-CZ 3.95Å; L354-F378 HydrophobicContact CD1-CD1 4.45Å; L354-F378 HydrophobicContact CD2-CD1 4.23Å; I374-F378 WeakPolarHBondContact O-CB 3.29Å; I374-F378 PolarHBondContact O-N 3.21Å; G375-F378 PolarHBondContact O-N 2.96Å; W376-F378 VanDerWaalsContact C-N 3.31Å; W376-F378 PolarHBondContact O-N 2.71Å; F378-L380 PolarHBondContact O-N 3.32Å; F378-A381 PolarHBondContact O-N 3.36Å; F378-L382 HydrophobicContact CE1-CD2 4.04Å; F378-L382 HydrophobicContact CZ-CD2 3.9Å; F378-L382 WeakPolarHBondContact O-CB 3.29Å; F378-L382 PolarHBondContact O-N 3.16Å
379T97.3Very high95Very high0 Ų068.6 Ų68.60%037%0.372CS..Hα-helixtrans-57.9-51.1178-64.10000111.1P104 V107 L108 L354 G375 W376 A381 L382 L383P104-T379 PolarHBondContact O-OG1 3.16Å; V107-T379 HydrophobicContact CB-CG2 4.33Å; V107-T379 HydrophobicContact CG1-CG2 4.11Å; L108-T379 HydrophobicContact CB-CG2 3.95Å; L108-T379 HydrophobicContact CD1-CG2 4.07Å; L354-T379 VanDerWaalsContact CD2-OG1 3.27Å; L354-T379 WeakPolarHBondContact CD2-OG1 3.32Å; G375-T379 WeakPolarHBondContact O-CB 3.45Å; G375-T379 PolarHBondContact O-N 3.19Å; G375-T379 PolarHBondContact O-OG1 3.44Å; W376-T379 PolarHBondContact O-N 3.19Å; T379-A381 PolarHBondContact O-N 2.95Å; T379-L382 PolarHBondContact O-N 2.82Å; T379-L383 HydrophobicContact CG2-CD1 3.77Å; T379-L383 HydrophobicContact CG2-CG 4.28Å; T379-L383 WeakPolarHBondContact O-CB 3.34Å; T379-L383 WeakPolarHBondContact O-CG 3.32Å; T379-L383 PolarHBondContact O-N 3.49Å
380L97.4Very high95.5Very high109 Ų10967 Ų6757%0.57135%0.35SS*.Hα-helixtrans-66.8-37.7-177.6-66.2175.1000112.4W376 V377 F378 G384W376-L380 WeakPolarHBondContact O-CB 3.49Å; W376-L380 VanDerWaalsContact O-CG 3.3Å; W376-L380 WeakPolarHBondContact O-CG 3.39Å; W376-L380 PolarHBondContact O-N 2.99Å; V377-L380 PolarHBondContact O-N 3.06Å; F378-L380 PolarHBondContact O-N 3.32Å; L380-G384 PolarHBondContact O-N 3.29Å
381A97.2Very high95.7Very high60 Ų6066.3 Ų66.350%0.49634%0.344SS..Hα-helixtrans-65.7-46.4176.800000111.7V377 F378 T379 G384 Q385V377-A381 WeakPolarHBondContact O-CB 3.24Å; V377-A381 PolarHBondContact O-N 3.36Å; F378-A381 PolarHBondContact O-N 3.36Å; T379-A381 PolarHBondContact O-N 2.95Å; A381-G384 PolarHBondContact O-N 2.98Å; A381-Q385 WeakPolarHBondContact O-CB 3.14Å; A381-Q385 PolarHBondContact O-N 3.48Å
382L96.8Very high95.9Very high15 Ų1575 Ų758%0.07938%0.377CS..Hα-helixtrans-64.4-47.9179.1-178.359.6000111.3L108 L112 V283 F378 T379 G384 Q385 M386L108-L382 HydrophobicContact CD1-CD2 4.15Å; L112-L382 HydrophobicContact CD2-CD2 3.96Å; L112-L382 HydrophobicContact CD2-CG 4.28Å; V283-L382 HydrophobicContact CG2-CD2 4.07Å; F378-L382 HydrophobicContact CE1-CD2 4.04Å; F378-L382 HydrophobicContact CZ-CD2 3.9Å; F378-L382 WeakPolarHBondContact O-CB 3.29Å; F378-L382 PolarHBondContact O-N 3.16Å; T379-L382 PolarHBondContact O-N 2.82Å; L382-G384 PolarHBondContact O-N 3.09Å; L382-Q385 PolarHBondContact O-N 2.86Å; L382-M386 HydrophobicContact CD1-CG 4.27Å; L382-M386 HydrophobicContact CD1-SD 4.13Å; L382-M386 HydrophobicContact CG-SD 4.2Å; L382-M386 WeakPolarHBondContact O-CG 3.13Å; L382-M386 PolarHBondContact O-N 2.8Å
383L97.8Very high95.9Very high23 Ų2374 Ų7412%0.1237%0.374CS..Hα-helixtrans-63.9-40.6177.8-64.9-177.5000112.1V107 L112 V115 T379 G387V107-L383 HydrophobicContact CG1-CD1 4.13Å; L112-L383 HydrophobicContact CB-CD2 4.5Å; L112-L383 HydrophobicContact CD2-CD2 3.98Å; L112-L383 HydrophobicContact CG-CD2 4.11Å; L112-L383 VanDerWaalsContact N-CD2 3.3Å; V115-L383 HydrophobicContact CG2-CD2 3.83Å; T379-L383 HydrophobicContact CG2-CD1 3.77Å; T379-L383 HydrophobicContact CG2-CG 4.28Å; T379-L383 WeakPolarHBondContact O-CB 3.34Å; T379-L383 WeakPolarHBondContact O-CG 3.32Å; T379-L383 PolarHBondContact O-N 3.49Å; L383-G387 WeakPolarHBondContact O-CA 3.33Å; L383-G387 PolarHBondContact O-N 2.69Å
384G97Very high96Very high44 Ų4470 Ų7045%0.45435%0.349SS..Hα-helixtrans-65-39.7176.300000112.7L380 A381 L382 R388L380-G384 PolarHBondContact O-N 3.29Å; A381-G384 PolarHBondContact O-N 2.98Å; L382-G384 PolarHBondContact O-N 3.09Å; G384-R388 VanDerWaalsContact O-CB 3.23Å; G384-R388 WeakPolarHBondContact O-CB 3.24Å; G384-R388 PolarHBondContact O-N 2.98Å
385Q96.3Very high96.1Very high132 Ų13268.9 Ų68.962%0.61734%0.344SS*.Hα-helixtrans-65.8-53175.5-178.5-178.4-3.900111.4A381 L382 G387 R388 T389A381-Q385 WeakPolarHBondContact O-CB 3.14Å; A381-Q385 PolarHBondContact O-N 3.48Å; L382-Q385 PolarHBondContact O-N 2.86Å; Q385-G387 PolarHBondContact O-N 2.79Å; Q385-R388 PolarHBondContact O-N 3.48Å; Q385-T389 PolarHBondContact O-N 3.21Å; Q385-T389 PolarHBondContact O-OG1 2.59Å
386M96.4Very high96.2Very high15 Ų1570.4 Ų70.47%0.07435%0.35CS..Hα-helixtrans-61.5-45.9179.5-70.2-179.47000111.3L112 V115 D278 L382 R388 T389 N390L112-M386 HydrophobicContact CD2-CE 4.46Å; L112-M386 HydrophobicContact CD2-SD 3.65Å; V115-M386 HydrophobicContact CB-CB 4.34Å; V115-M386 HydrophobicContact CG2-CB 3.6Å; V115-M386 HydrophobicContact CG2-CE 4.41Å; V115-M386 HydrophobicContact CG2-SD 4.35Å; D278-M386 WeakPolarHBondContact O-CE 3.41Å; L382-M386 HydrophobicContact CD1-CG 4.27Å; L382-M386 HydrophobicContact CD1-SD 4.13Å; L382-M386 HydrophobicContact CG-SD 4.2Å; L382-M386 WeakPolarHBondContact O-CG 3.13Å; L382-M386 PolarHBondContact O-N 2.8Å; M386-R388 VanDerWaalsContact C-N 3.32Å; M386-R388 PolarHBondContact O-N 3.05Å; M386-T389 PolarHBondContact O-N 3.16Å; M386-N390 WeakPolarHBondContact O-CB 3.49Å; M386-N390 PolarHBondContact O-N 3.38Å
387G96.8Very high96.2Very high12 Ų1267.8 Ų67.812%0.12434%0.344CS..Hα-helixtrans-59-42.9177.600000112.3L383 Q385 H391L383-G387 WeakPolarHBondContact O-CA 3.33Å; L383-G387 PolarHBondContact O-N 2.69Å; Q385-G387 PolarHBondContact O-N 2.79Å; G387-H391 WeakPolarHBondContact O-CB 3.4Å; G387-H391 PolarHBondContact O-N 3.11Å
388R96.2Very high96.2Very high218 Ų21874 Ų7482%0.82336%0.357SS*.Hα-helixtrans-65.3-40.9176.6-178.6176.4176.1148.50.3112.8G384 Q385 M386G384-R388 VanDerWaalsContact O-CB 3.23Å; G384-R388 WeakPolarHBondContact O-CB 3.24Å; G384-R388 PolarHBondContact O-N 2.98Å; Q385-R388 PolarHBondContact O-N 3.48Å; M386-R388 VanDerWaalsContact C-N 3.32Å; M386-R388 PolarHBondContact O-N 3.05Å
389T94.9Very high96.2Very high97 Ų9771.2 Ų71.260%0.59535%0.345SS*.Hα-helixtrans-66.1-43.4179.8-57.20000111.1Q385 M386Q385-T389 PolarHBondContact O-N 3.21Å; Q385-T389 PolarHBondContact O-OG1 2.59Å; M386-T389 PolarHBondContact O-N 3.16Å
390N96.3Very high96.2Very high20 Ų2074.3 Ų74.311%0.10736%0.362CS..Hα-helixtrans-88.6-21-171.6-65.4-17.2000113.7V115 R117 M386 R392 E393 C394V115-N390 PolarHBondContact O-ND2 3.36Å; R117-N390 PolarHBondContact N-ND2 3.16Å; M386-N390 WeakPolarHBondContact O-CB 3.49Å; M386-N390 PolarHBondContact O-N 3.38Å; N390-R392 VanDerWaalsContact C-N 3.33Å; N390-R392 PolarHBondContact O-N 3.46Å; N390-E393 PolarHBondContact O-N 3.43Å; N390-E393 VanDerWaalsContact O-N 3.16Å; N390-C394 WeakPolarHBondContact O-CB 3.35Å; N390-C394 PolarHBondContact O-N 2.93Å; N390-C394 PolarHBondContact O-SG 3.09Å
391H95.9Very high96.2Very high81 Ų8169.3 Ų69.338%0.37534%0.336SS..Hα-helixtrans-53.8-44.4-175.5-179.5-66.9000113.3W120 G387 E393 C394 D395W120-H391 HydrophobicContact CH2-CB 4.01Å; W120-H391 AromaticContact CH2-CD2 3.9Å; G387-H391 WeakPolarHBondContact O-CB 3.4Å; G387-H391 PolarHBondContact O-N 3.11Å; H391-E393 VanDerWaalsContact C-N 3.3Å; H391-E393 PolarHBondContact O-N 3.27Å; H391-C394 PolarHBondContact O-N 3.42Å; H391-D395 VanDerWaalsContact O-CB 3.31Å; H391-D395 WeakPolarHBondContact O-CB 3.39Å; H391-D395 PolarHBondContact O-N 2.81Å
392R93.8Very high96.2Very high230 Ų23066.5 Ų66.587%0.86831%0.312SS*.Hα-helixtrans-64.3-36.4-176.3-177.1179.2175.4-174.6-1.7112.4N390N390-R392 VanDerWaalsContact C-N 3.33Å; N390-R392 PolarHBondContact O-N 3.46Å
393E90.9Very high96.3Very high79 Ų7966.8 Ų66.837%0.36931%0.314SS..Hα-helixtrans-80.1-31.6179.8-165.6-174.4151.200111.7R117 Q121 N390 H391 Q396R117-E393 WeakPolarHBondContact CD-OE1 3.36Å; R117-E393 IonicContact NH1-OE1 2.73Å; Q121-E393 PolarHBondContact NE2-OE1 3.47Å; N390-E393 PolarHBondContact O-N 3.43Å; N390-E393 VanDerWaalsContact O-N 3.16Å; H391-E393 VanDerWaalsContact C-N 3.3Å; H391-E393 PolarHBondContact O-N 3.27Å; E393-Q396 PolarHBondContact O-NE2 3.43Å; E393-Q396 VanDerWaalsContact O-NE2 3.13Å
394C95.4Very high96.3Very high0 Ų067.9 Ų67.90%032%0.316CS..Hα-helixtrans-88.9-11.8-178.1-56.40000113.6W120 Q121 M124 N390 H391 Q396W120-C394 HydrophobicContact CB-CB 4.08Å; W120-C394 HydrophobicContact CD2-CB 3.69Å; W120-C394 HydrophobicContact CE3-CB 4.39Å; W120-C394 HydrophobicContact CG-CB 3.51Å; Q121-C394 HydrophobicContact CG-CB 4.49Å; M124-C394 WeakPolarHBondContact CG-O 3.39Å; N390-C394 WeakPolarHBondContact O-CB 3.35Å; N390-C394 PolarHBondContact O-N 2.93Å; N390-C394 PolarHBondContact O-SG 3.09Å; H391-C394 PolarHBondContact O-N 3.42Å; C394-Q396 PolarHBondContact O-N 3.03Å
395D96.9Very high96.4Very high59 Ų5965.8 Ų65.832%0.31629%0.294SS..  trans-73.4104.8174.2-177.32.8000110.8H391 S397H391-D395 VanDerWaalsContact O-CB 3.31Å; H391-D395 WeakPolarHBondContact O-CB 3.39Å; H391-D395 PolarHBondContact O-N 2.81Å; D395-S397 WeakPolarHBondContact OD1-CB 3.24Å; D395-S397 PolarHBondContact OD1-N 3.37Å; D395-S397 PolarHBondContact OD1-OG 3.37Å
396Q97.4Very high96.4Very high35 Ų3559.5 Ų59.516%0.16427%0.265CS..  trans-102.98.6179.5-58.6-59.5-35.400112.6C26 Q28 M124 E393 C394 R398 N399C26-Q396 CarbonylContact O-C 3.52Å; C26-Q396 WeakPolarHBondContact O-CA 3.5Å; C26-Q396 WeakPolarHBondContact O-CB 3.47Å; C26-Q396 PolarHBondContact O-N 3.37Å; Q28-Q396 WeakPolarHBondContact CA-O 3.43Å; Q28-Q396 HydrophobicContact CB-CB 3.7Å; Q28-Q396 HydrophobicContact CG-CB 4.22Å; M124-Q396 HydrophobicContact CB-CB 4.3Å; M124-Q396 HydrophobicContact CB-CG 4.01Å; M124-Q396 HydrophobicContact CG-CG 4.3Å; E393-Q396 PolarHBondContact O-NE2 3.43Å; E393-Q396 VanDerWaalsContact O-NE2 3.13Å; C394-Q396 PolarHBondContact O-N 3.03Å; Q396-R398 PolarHBondContact O-N 2.95Å; Q396-N399 HydrophobicContact CB-CB 4.42Å; Q396-N399 PolarHBondContact O-N 2.97Å; Q396-N399 VanDerWaalsContact OE1-CB 3.3Å; Q396-N399 PolarHBondContact OE1-ND2 2.86Å
397S97.1Very high96.5Very high21 Ų2163.2 Ų63.215%0.14728%0.278CS..THydrogen-bonded Turntrans-60.5-22.9-172.165.80000114.9P25 C26 V27 D395P25-S397 WeakPolarHBondContact O-CB 3.12Å; C26-S397 PolarHBondContact O-N 3.41Å; V27-S397 WeakPolarHBondContact O-CA 3.44Å; D395-S397 WeakPolarHBondContact OD1-CB 3.24Å; D395-S397 PolarHBondContact OD1-N 3.37Å; D395-S397 PolarHBondContact OD1-OG 3.37Å
398R95.6Very high96.5Very high227 Ų22764.4 Ų64.486%0.85728%0.281SS*.THydrogen-bonded Turntrans-114.44178.7-59.7-174.5-178.2-166.1-0.4113.6Q396 D400Q396-R398 PolarHBondContact O-N 2.95Å; R398-D400 PolarHBondContact O-N 3.42Å
399N96.8Very high96.6Very high19 Ų1954 Ų5410%0.10224%0.241CC..  trans-79.5107.7-179-179.3-0.9000110.1Q28 T30 Q396 V401 E562Q28-N399 HydrophobicContact CG-CB 4.37Å; Q28-N399 WeakPolarHBondContact CG-O 3.18Å; Q28-N399 PolarHBondContact NE2-O 2.83Å; T30-N399 PolarHBondContact OG1-O 3.28Å; Q396-N399 HydrophobicContact CB-CB 4.42Å; Q396-N399 PolarHBondContact O-N 2.97Å; Q396-N399 VanDerWaalsContact OE1-CB 3.3Å; Q396-N399 PolarHBondContact OE1-ND2 2.86Å; N399-V401 PolarHBondContact OD1-N 3.1Å; N399-E562 VanDerWaalsContact ND2-CD 3.28Å; N399-E562 WeakPolarHBondContact ND2-CG 3.22Å; N399-E562 PolarHBondContact ND2-OE1 2.88Å
400D97Very high96.7Very high64 Ų6449.5 Ų49.534%0.34221%0.213SC..  trans-118.99.1175.768.6-11.8000113.2T30 R398 V402 E403 R404T30-D400 HydrophobicContact CG2-CB 3.9Å; T30-D400 WeakPolarHBondContact OG1-CA 3.41Å; R398-D400 PolarHBondContact O-N 3.42Å; D400-V402 PolarHBondContact O-N 3.21Å; D400-E403 PolarHBondContact O-N 3.12Å; D400-R404 WeakPolarHBondContact O-CB 3.26Å; D400-R404 PolarHBondContact O-N 3.01Å; D400-R404 IonicContact OD1-NH1 3.91Å
401V97.7Very high96.7Very high4 Ų452 Ų522%0.02424%0.237CC..Hα-helixtrans-61.5-49.4-165177.70000111.9N399 R404 F405 W549 F556 E562 A565N399-V401 PolarHBondContact OD1-N 3.1Å; V401-R404 PolarHBondContact O-N 3.06Å; V401-F405 WeakPolarHBondContact O-CB 3.23Å; V401-F405 PolarHBondContact O-N 3.33Å; V401-W549 HydrophobicContact CG1-CH2 3.67Å; V401-W549 HydrophobicContact CG1-CZ2 3.9Å; V401-W549 WeakPolarHBondContact O-CH2 3.23Å; V401-F556 HydrophobicContact CB-CZ 4.39Å; V401-F556 HydrophobicContact CG1-CE2 4.17Å; V401-F556 HydrophobicContact CG1-CZ 4.16Å; V401-F556 HydrophobicContact CG2-CE1 3.65Å; V401-F556 HydrophobicContact CG2-CE2 4.18Å; V401-F556 HydrophobicContact CG2-CZ 3.35Å; V401-E562 HydrophobicContact CB-CB 4.27Å; V401-E562 HydrophobicContact CB-CG 3.9Å; V401-E562 HydrophobicContact CG1-CB 4.05Å; V401-E562 HydrophobicContact CG1-CG 4.23Å; V401-E562 HydrophobicContact CG2-CB 4.48Å; V401-E562 HydrophobicContact CG2-CG 4.15Å; V401-A565 HydrophobicContact CG1-CB 4.37Å
402V97.9Very high96.7Very high1 Ų148.9 Ų48.91%0.00622%0.224CC..Hα-helixtrans-67.8-37.6-179.31750000111.4D400 F405 G406 L425 W561D400-V402 PolarHBondContact O-N 3.21Å; V402-F405 WeakPolarHBondContact O-CB 3.13Å; V402-F405 PolarHBondContact O-N 2.81Å; V402-G406 PolarHBondContact O-N 3.16Å; V402-L425 HydrophobicContact CG1-CD1 4.07Å; V402-L425 HydrophobicContact CG2-CD1 4.41Å; V402-W561 HydrophobicContact CG2-CB 4.38Å
403E98.1Very high96.8Very high22 Ų2238.3 Ų38.310%0.10319%0.185CC..Hα-helixtrans-66-45.4175.4178.5162.2139.200111.3T30 V31 D400 F405 G406 R407 L433T30-E403 VanDerWaalsContact CB-OE2 3.24Å; T30-E403 WeakPolarHBondContact CB-OE2 3.25Å; T30-E403 HydrophobicContact CG2-CB 4.22Å; T30-E403 HydrophobicContact CG2-CG 4.5Å; V31-E403 HydrophobicContact CG1-CB 3.83Å; V31-E403 HydrophobicContact CG1-CG 4.35Å; V31-E403 PolarHBondContact N-OE2 3.23Å; D400-E403 PolarHBondContact O-N 3.12Å; E403-F405 VanDerWaalsContact C-N 3.33Å; E403-F405 PolarHBondContact O-N 2.93Å; E403-G406 PolarHBondContact O-N 2.75Å; E403-R407 HydrophobicContact CG-CG 4.46Å; E403-R407 WeakPolarHBondContact O-CG 3.36Å; E403-R407 PolarHBondContact O-N 2.74Å; E403-R407 IonicContact OE1-CZ 3.33Å; E403-R407 IonicContact OE1-NE 2.67Å; E403-R407 PolarHBondContact OE1-NE 3.19Å; E403-R407 IonicContact OE1-NH2 3.17Å; E403-R407 PolarHBondContact OE1-NH2 3.02Å; E403-L433 HydrophobicContact CG-CD2 4.02Å
404R97.8Very high97Very high46 Ų4636.1 Ų36.117%0.17418%0.177CC..Hα-helixtrans-63.1-41.2176.8-169.8174.461.1-141.5-12.2111.1D400 V401 G406 R407 E408 W549 E551D400-R404 WeakPolarHBondContact O-CB 3.26Å; D400-R404 PolarHBondContact O-N 3.01Å; D400-R404 IonicContact OD1-NH1 3.91Å; V401-R404 PolarHBondContact O-N 3.06Å; R404-G406 PolarHBondContact O-N 3.04Å; R404-R407 PolarHBondContact O-N 3.15Å; R404-E408 HydrophobicContact CG-CG 4.27Å; R404-E408 WeakPolarHBondContact O-CB 3.38Å; R404-E408 VanDerWaalsContact O-CG 3.29Å; R404-E408 WeakPolarHBondContact O-CG 3.28Å; R404-E408 PolarHBondContact O-N 3.3Å; R404-W549 HydrophobicContact CB-CZ3 4.09Å; R404-W549 HydrophobicContact CG-CE3 4.38Å; R404-W549 HydrophobicContact CG-CZ3 4.07Å; R404-E551 IonicContact CZ-OE1 3.89Å; R404-E551 IonicContact NH1-OE1 3.84Å; R404-E551 PolarHBondContact NH1-OE1 2.89Å; R404-E551 VanDerWaalsContact NH2-CD 3.25Å; R404-E551 IonicContact NH2-OE1 3.94Å; R404-E551 PolarHBondContact NH2-OE1 3.07Å
405F98.1Very high97Very high0 Ų044.8 Ų44.80%022%0.215CC..Hα-helixtrans-53-54.2172.5169.2-90.7000110.6V401 V402 E403 R407 E408 L409 L425 P426 V523 W549 A565 E568 M569V401-F405 WeakPolarHBondContact O-CB 3.23Å; V401-F405 PolarHBondContact O-N 3.33Å; V402-F405 WeakPolarHBondContact O-CB 3.13Å; V402-F405 PolarHBondContact O-N 2.81Å; E403-F405 VanDerWaalsContact C-N 3.33Å; E403-F405 PolarHBondContact O-N 2.93Å; F405-R407 VanDerWaalsContact C-N 3.34Å; F405-R407 PolarHBondContact O-N 2.73Å; F405-E408 PolarHBondContact O-N 3.18Å; F405-L409 HydrophobicContact CD1-CD1 4.26Å; F405-L409 HydrophobicContact CD2-CD1 3.91Å; F405-L409 HydrophobicContact CE1-CD1 4.06Å; F405-L409 HydrophobicContact CE1-CD2 3.81Å; F405-L409 HydrophobicContact CE2-CD1 3.71Å; F405-L409 HydrophobicContact CE2-CD2 4.48Å; F405-L409 HydrophobicContact CG-CD1 4.18Å; F405-L409 HydrophobicContact CZ-CD1 3.79Å; F405-L409 HydrophobicContact CZ-CD2 3.75Å; F405-L409 HydrophobicContact CZ-CG 4.46Å; F405-L409 WeakPolarHBondContact O-CD1 3.14Å; F405-L409 PolarHBondContact O-N 2.94Å; F405-L425 HydrophobicContact CD1-CD1 4.25Å; F405-L425 HydrophobicContact CD1-CD2 4.45Å; F405-L425 HydrophobicContact CD1-CG 4.18Å; F405-L425 HydrophobicContact CE1-CD1 4.3Å; F405-L425 HydrophobicContact CE1-CD2 3.95Å; F405-L425 HydrophobicContact CE1-CG 3.72Å; F405-L425 HydrophobicContact CE2-CD2 4.25Å; F405-L425 HydrophobicContact CZ-CD2 3.83Å; F405-L425 HydrophobicContact CZ-CG 4.1Å; F405-P426 HydrophobicContact CE1-CB 4.5Å; F405-V523 HydrophobicContact CE2-CG1 4.2Å; F405-V523 HydrophobicContact CE2-CG2 4.03Å; F405-V523 HydrophobicContact CZ-CG1 4.03Å; F405-W549 HydrophobicContact CB-CH2 4.13Å; F405-W549 HydrophobicContact CB-CZ3 4.14Å; F405-A565 HydrophobicContact CB-CB 4.1Å; F405-A565 HydrophobicContact CD2-CB 3.99Å; F405-A565 HydrophobicContact CG-CB 4.03Å; F405-E568 HydrophobicContact CE2-CB 3.96Å; F405-M569 HydrophobicContact CD2-CG 3.71Å; F405-M569 HydrophobicContact CD2-SD 3.65Å; F405-M569 HydrophobicContact CE2-CG 4.25Å; F405-M569 HydrophobicContact CE2-SD 4Å
406G97.8Very high96.9Very high0 Ų045.2 Ų45.20%022%0.217CC..Hα-helixtrans-60-40.8178.700000113.2V402 E403 R404 L409 L410 L430 L433V402-G406 PolarHBondContact O-N 3.16Å; E403-G406 PolarHBondContact O-N 2.75Å; R404-G406 PolarHBondContact O-N 3.04Å; G406-L409 PolarHBondContact O-N 3.15Å; G406-L410 WeakPolarHBondContact O-CB 3.32Å; G406-L410 WeakPolarHBondContact O-CG 3.41Å; G406-L410 PolarHBondContact O-N 2.76Å; G406-L430 WeakPolarHBondContact O-CD2 3.28Å; G406-L433 VanDerWaalsContact C-CD1 3.47Å
407R98.1Very high96.9Very high93 Ų9343.6 Ų43.635%0.35121%0.21SC..Hα-helixtrans-64.6-43.8178-72.4178.2-177-71.9-5.7112.7E403 R404 F405 L410 A411 L433E403-R407 HydrophobicContact CG-CG 4.46Å; E403-R407 WeakPolarHBondContact O-CG 3.36Å; E403-R407 PolarHBondContact O-N 2.74Å; E403-R407 IonicContact OE1-CZ 3.33Å; E403-R407 IonicContact OE1-NE 2.67Å; E403-R407 PolarHBondContact OE1-NE 3.19Å; E403-R407 IonicContact OE1-NH2 3.17Å; E403-R407 PolarHBondContact OE1-NH2 3.02Å; R404-R407 PolarHBondContact O-N 3.15Å; F405-R407 VanDerWaalsContact C-N 3.34Å; F405-R407 PolarHBondContact O-N 2.73Å; R407-L410 PolarHBondContact O-N 3.47Å; R407-A411 VanDerWaalsContact O-CB 3.32Å; R407-A411 WeakPolarHBondContact O-CB 3.48Å; R407-A411 PolarHBondContact O-N 2.98Å; R407-L433 HydrophobicContact CG-CD1 4.03Å; R407-L433 HydrophobicContact CG-CD2 4.34Å
408E97.5Very high96.9Very high37 Ų3742.6 Ų42.617%0.17320%0.203CC..Hα-helixtrans-63.4-41.5177.3-70.1-60.8140.200111.2R404 F405 A411 S412 Y547 N548 M569R404-E408 HydrophobicContact CG-CG 4.27Å; R404-E408 WeakPolarHBondContact O-CB 3.38Å; R404-E408 VanDerWaalsContact O-CG 3.29Å; R404-E408 WeakPolarHBondContact O-CG 3.28Å; R404-E408 PolarHBondContact O-N 3.3Å; F405-E408 PolarHBondContact O-N 3.18Å; E408-A411 PolarHBondContact O-N 3.07Å; E408-S412 PolarHBondContact O-N 2.98Å; E408-S412 VanDerWaalsContact O-N 3.16Å; E408-Y547 HydrophobicContact CB-CD1 3.79Å; E408-Y547 HydrophobicContact CB-CE1 4.43Å; E408-Y547 HydrophobicContact CB-CG 4.37Å; E408-Y547 WeakPolarHBondContact OE2-CA 3.36Å; E408-N548 PolarHBondContact OE2-N 3.38Å; E408-M569 HydrophobicContact CB-CE 3.92Å; E408-M569 HydrophobicContact CG-CE 4.22Å
409L97.4Very high97Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-60.6-53173.2-9071.7000110.8F405 G406 A411 S412 F413 L430 V523 Y547 M569F405-L409 HydrophobicContact CD1-CD1 4.26Å; F405-L409 HydrophobicContact CD2-CD1 3.91Å; F405-L409 HydrophobicContact CE1-CD1 4.06Å; F405-L409 HydrophobicContact CE1-CD2 3.81Å; F405-L409 HydrophobicContact CE2-CD1 3.71Å; F405-L409 HydrophobicContact CE2-CD2 4.48Å; F405-L409 HydrophobicContact CG-CD1 4.18Å; F405-L409 HydrophobicContact CZ-CD1 3.79Å; F405-L409 HydrophobicContact CZ-CD2 3.75Å; F405-L409 HydrophobicContact CZ-CG 4.46Å; F405-L409 WeakPolarHBondContact O-CD1 3.14Å; F405-L409 PolarHBondContact O-N 2.94Å; G406-L409 PolarHBondContact O-N 3.15Å; L409-A411 VanDerWaalsContact C-N 3.28Å; L409-A411 PolarHBondContact O-N 3.21Å; L409-S412 WeakPolarHBondContact O-CB 2.83Å; L409-S412 PolarHBondContact O-N 3.36Å; L409-S412 VanDerWaalsContact O-N 3.08Å; L409-S412 PolarHBondContact O-OG 2.8Å; L409-F413 HydrophobicContact CB-CE2 4.43Å; L409-F413 WeakPolarHBondContact O-CD2 3.49Å; L409-F413 WeakPolarHBondContact O-CE2 3.4Å; L409-L430 HydrophobicContact CB-CD2 4.02Å; L409-V523 HydrophobicContact CD1-CB 4.17Å; L409-V523 HydrophobicContact CD1-CG2 4.1Å; L409-V523 HydrophobicContact CD2-CB 4.37Å; L409-V523 HydrophobicContact CD2-CG1 4.14Å; L409-V523 HydrophobicContact CG-CB 4.38Å; L409-Y547 HydrophobicContact CD1-CE1 4.44Å; L409-M569 HydrophobicContact CD1-SD 4.1Å
410L97.4Very high97Very high1 Ų130.9 Ų30.91%0.00516%0.157CC..Hα-helixtrans-59.2-37.1179.3-72.3177000112.9G406 R407 S412 L430 L433 I439 R440 I443G406-L410 WeakPolarHBondContact O-CB 3.32Å; G406-L410 WeakPolarHBondContact O-CG 3.41Å; G406-L410 PolarHBondContact O-N 2.76Å; R407-L410 PolarHBondContact O-N 3.47Å; L410-S412 VanDerWaalsContact C-N 3.29Å; L410-S412 PolarHBondContact O-N 3.38Å; L410-L430 HydrophobicContact CD1-CD2 4.2Å; L410-L430 HydrophobicContact CD2-CD2 3.75Å; L410-L430 HydrophobicContact CG-CD2 3.54Å; L410-L433 HydrophobicContact CD1-CB 3.65Å; L410-L433 HydrophobicContact CD1-CD1 3.99Å; L410-L433 HydrophobicContact CD1-CG 4.48Å; L410-I439 HydrophobicContact CB-CG2 4.47Å; L410-I439 HydrophobicContact CD1-CB 4.18Å; L410-I439 HydrophobicContact CD1-CG2 3.68Å; L410-R440 HydrophobicContact CB-CG 4.06Å; L410-R440 PolarHBondContact O-NH1 2.98Å; L410-I443 HydrophobicContact CD2-CD1 3.29Å
411A96Very high97Very high73 Ų7328 Ų2860%0.60314%0.142SC*.Hα-helixtrans-68.9-28.6178.300000112.5R407 E408 L409 F413R407-A411 VanDerWaalsContact O-CB 3.32Å; R407-A411 WeakPolarHBondContact O-CB 3.48Å; R407-A411 PolarHBondContact O-N 2.98Å; E408-A411 PolarHBondContact O-N 3.07Å; L409-A411 VanDerWaalsContact C-N 3.28Å; L409-A411 PolarHBondContact O-N 3.21Å; A411-F413 PolarHBondContact O-N 2.76Å
412S95.2Very high96.7Very high16 Ų1631.1 Ų31.111%0.11215%0.153CC..Hα-helixtrans-75.2-20.5-175.575.20000114.9E408 L409 L410E408-S412 PolarHBondContact O-N 2.98Å; E408-S412 VanDerWaalsContact O-N 3.16Å; L409-S412 WeakPolarHBondContact O-CB 2.83Å; L409-S412 PolarHBondContact O-N 3.36Å; L409-S412 VanDerWaalsContact O-N 3.08Å; L409-S412 PolarHBondContact O-OG 2.8Å; L410-S412 VanDerWaalsContact C-N 3.29Å; L410-S412 PolarHBondContact O-N 3.38Å
413F96.1Very high96.3Very high7 Ų732.3 Ų32.33%0.03117%0.165CC..SBendtrans-80.1141.1-175.8-57.7-54.7000112.8L409 A411 I419 R440 F500 L521 C524L409-F413 HydrophobicContact CB-CE2 4.43Å; L409-F413 WeakPolarHBondContact O-CD2 3.49Å; L409-F413 WeakPolarHBondContact O-CE2 3.4Å; A411-F413 PolarHBondContact O-N 2.76Å; F413-I419 HydrophobicContact CB-CD1 4.18Å; F413-I419 HydrophobicContact CD1-CD1 3.56Å; F413-I419 HydrophobicContact CD2-CD1 3.62Å; F413-I419 HydrophobicContact CD2-CG1 4Å; F413-I419 HydrophobicContact CE1-CD1 3.77Å; F413-I419 HydrophobicContact CE2-CD1 3.81Å; F413-I419 HydrophobicContact CE2-CG1 3.98Å; F413-I419 HydrophobicContact CE2-CG2 4.11Å; F413-I419 HydrophobicContact CG-CD1 3.5Å; F413-I419 HydrophobicContact CG-CG1 4.38Å; F413-I419 HydrophobicContact CZ-CD1 3.89Å; F413-I419 HydrophobicContact CZ-CG1 4.34Å; F413-I419 HydrophobicContact CZ-CG2 3.92Å; F413-R440 PolarHBondContact O-NH1 3.12Å; F413-R440 PolarHBondContact O-NH2 3.26Å; F413-F500 HydrophobicContact CD1-CB 4.21Å; F413-F500 HydrophobicContact CD1-CD1 4.3Å; F413-F500 HydrophobicContact CD1-CD2 4.04Å; F413-F500 AromaticContact CD1-CG 3.91Å; F413-F500 HydrophobicContact CD1-CG 3.91Å; F413-F500 HydrophobicContact CE1-CB 3.93Å; F413-F500 HydrophobicContact CE1-CG 4.09Å; F413-L521 HydrophobicContact CD1-CD2 4.33Å; F413-C524 HydrophobicContact CE1-CB 4.12Å; F413-C524 HydrophobicContact CZ-CB 4.45Å
414P95.2Very high96Very high33 Ų3334.4 Ų34.421%0.21418%0.177CC..PPolyproline II helixtrans-56.4165.3166.6-22.934.5000113S417 R440 F500P414-S417 PolarHBondContact O-OG 3.42Å; P414-R440 PolarHBondContact O-NH2 3.41Å; P414-F500 VanDerWaalsContact CD-CZ 3.46Å; P414-F500 HydrophobicContact CG-CE2 4.23Å; P414-F500 HydrophobicContact CG-CZ 3.82Å
415K95.6Very high95.8Very high182 Ų18232.5 Ų32.579%0.79117%0.171SC*.THydrogen-bonded Turntrans-62.9143.2175-170.5176.9178.4-179.10111S417 D442K415-S417 VanDerWaalsContact C-N 3.32Å; K415-S417 PolarHBondContact O-N 2.99Å; K415-D442 WeakPolarHBondContact CA-OD2 3.06Å
416D95.3Very high95.6Very high69 Ų6932.5 Ų32.537%0.36917%0.171SC..THydrogen-bonded Turntrans55.842.4175.7-165.124000113.6D442 R497D416-D442 PolarHBondContact N-OD2 3.35Å; D416-R497 VanDerWaalsContact O-CD 3.27Å; D416-R497 WeakPolarHBondContact O-CD 3.42Å; D416-R497 VanDerWaalsContact O-CG 3.3Å; D416-R497 WeakPolarHBondContact O-CG 3.48Å; D416-R497 IonicContact OD1-CZ 3.42Å; D416-R497 IonicContact OD1-NE 3.27Å; D416-R497 PolarHBondContact OD1-NE 3.44Å; D416-R497 IonicContact OD1-NH2 3.88Å; D416-R497 IonicContact OD2-NE 2.71Å
417S96.9Very high95.5Very high0 Ų032.6 Ų32.60%017%0.172CC..  trans-89.6152.6178.8-62.60000112.6P414 K415 I443 R444 D498 F500P414-S417 PolarHBondContact O-OG 3.42Å; K415-S417 VanDerWaalsContact C-N 3.32Å; K415-S417 PolarHBondContact O-N 2.99Å; S417-I443 WeakPolarHBondContact O-CA 3.43Å; S417-I443 WeakPolarHBondContact O-CB 3.42Å; S417-R444 PolarHBondContact O-N 3.33Å; S417-D498 WeakPolarHBondContact CA-O 3.28Å; S417-F500 WeakPolarHBondContact OG-CE2 3.49Å
418L97.8Very high95.5Very high0 Ų028.6 Ų28.60%016%0.157CC..EExtended strand (participates in β ladder)trans-102.5121172.4-179.365.8000109.5R444 V446 V467 F490 N494 R497 D498 V499 F500L418-R444 HydrophobicContact CD1-CB 3.63Å; L418-V446 HydrophobicContact CD1-CB 4.43Å; L418-V446 HydrophobicContact CD1-CG2 3.6Å; L418-V467 HydrophobicContact CD1-CG1 4.22Å; L418-V467 HydrophobicContact CD1-CG2 3.79Å; L418-F490 HydrophobicContact CD2-CE1 3.78Å; L418-F490 HydrophobicContact CD2-CZ 3.79Å; L418-N494 HydrophobicContact CD2-CB 4.35Å; L418-R497 HydrophobicContact CB-CB 4.36Å; L418-D498 PolarHBondContact N-O 2.73Å; L418-V499 HydrophobicContact CB-CG1 4.38Å; L418-V499 HydrophobicContact CB-CG2 4.22Å; L418-V499 HydrophobicContact CD2-CG1 4.11Å; L418-V499 HydrophobicContact CD2-CG2 3.96Å; L418-V499 HydrophobicContact CG-CG1 4.25Å; L418-V499 CarbonylContact O-C 3.57Å; L418-V499 VanDerWaalsContact O-CA 3.29Å; L418-V499 WeakPolarHBondContact O-CA 3.07Å; L418-F500 PolarHBondContact O-N 3.38Å
419I97.8Very high95.5Very high0 Ų027 Ų270%015%0.15CC..EExtended strand (participates in β ladder)trans-112.6117.6-174.2-44.5-55.5000109.5F413 T421 I443 R444 L445 V446 F500F413-I419 HydrophobicContact CB-CD1 4.18Å; F413-I419 HydrophobicContact CD1-CD1 3.56Å; F413-I419 HydrophobicContact CD2-CD1 3.62Å; F413-I419 HydrophobicContact CD2-CG1 4Å; F413-I419 HydrophobicContact CE1-CD1 3.77Å; F413-I419 HydrophobicContact CE2-CD1 3.81Å; F413-I419 HydrophobicContact CE2-CG1 3.98Å; F413-I419 HydrophobicContact CE2-CG2 4.11Å; F413-I419 HydrophobicContact CG-CD1 3.5Å; F413-I419 HydrophobicContact CG-CG1 4.38Å; F413-I419 HydrophobicContact CZ-CD1 3.89Å; F413-I419 HydrophobicContact CZ-CG1 4.34Å; F413-I419 HydrophobicContact CZ-CG2 3.92Å; I419-T421 HydrophobicContact CG2-CG2 4.29Å; I419-I443 HydrophobicContact CG1-CB 4.5Å; I419-I443 HydrophobicContact CG1-CD1 3.96Å; I419-R444 PolarHBondContact N-O 3.33Å; I419-L445 HydrophobicContact CB-CD2 3.89Å; I419-L445 HydrophobicContact CG1-CD2 4.18Å; I419-L445 HydrophobicContact CG2-CD2 4.4Å; I419-V446 PolarHBondContact O-N 2.84Å; I419-F500 CarbonylContact C-O 3.54Å; I419-F500 WeakPolarHBondContact CA-O 3.43Å; I419-F500 HydrophobicContact CD1-CB 3.95Å; I419-F500 HydrophobicContact CD1-CD2 3.79Å; I419-F500 HydrophobicContact CD1-CG 4.23Å
420L97.3Very high95.5Very high1 Ų127 Ų271%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-87.6109.2172-54.8-174.9000109.1V446 Q448 L487 F490 V499 F500 A501 C502 L505 L527L420-V446 CarbonylContact C-O 3.44Å; L420-V446 VanDerWaalsContact CA-O 3.28Å; L420-V446 WeakPolarHBondContact CA-O 3.5Å; L420-V446 HydrophobicContact CD2-CB 3.9Å; L420-V446 HydrophobicContact CD2-CG1 3.98Å; L420-Q448 HydrophobicContact CB-CG 3.85Å; L420-L487 HydrophobicContact CD1-CD1 4.13Å; L420-F490 HydrophobicContact CD2-CE1 3.96Å; L420-V499 HydrophobicContact CD1-CG1 3.97Å; L420-V499 HydrophobicContact CD2-CG1 4.48Å; L420-V499 HydrophobicContact CG-CG1 3.9Å; L420-F500 PolarHBondContact N-O 3.09Å; L420-A501 HydrophobicContact CB-CB 4.24Å; L420-A501 WeakPolarHBondContact O-CA 3.39Å; L420-C502 PolarHBondContact O-N 2.79Å; L420-L505 HydrophobicContact CD1-CD2 4.17Å; L420-L527 HydrophobicContact CD1-CD1 4Å
421T95.8Very high95.4Very high4 Ų427.4 Ų27.43%0.02515%0.152CC..EExtended strand (participates in β ladder)trans-94.9144.8177.857.50000111.1I419 L430 V446 Q448I419-T421 HydrophobicContact CG2-CG2 4.29Å; T421-L430 HydrophobicContact CG2-CD1 3.85Å; T421-V446 PolarHBondContact N-O 3.14Å; T421-Q448 WeakPolarHBondContact O-CB 3.31Å; T421-Q448 WeakPolarHBondContact O-CG 3.5Å; T421-Q448 PolarHBondContact O-N 3.43Å
422R92.1Very high95.5Very high69 Ų6924 Ų2426%0.2612%0.123SC..  trans-133.9135.5174.4-179.5179.9177.3-173.31.1110P426 L505 D507R422-P426 WeakPolarHBondContact O-CD 3.29Å; R422-P426 WeakPolarHBondContact O-CG 3.49Å; R422-L505 PolarHBondContact NH1-O 3.09Å; R422-D507 IonicContact NH2-OD2 2.69Å
423G89.8Confident95.7Very high25 Ų2523.2 Ų23.226%0.25812%0.118SC..SBendtrans69.2171-179.800000114.4L425 G427G423-L425 PolarHBondContact O-N 3.15Å; G423-G427 PolarHBondContact O-N 3.24Å
424D90.9Very high95.7Very high66 Ų6623.2 Ų23.235%0.35312%0.118SC..Hα-helixtrans-66.5-39-168-55.9-24.9000113.1N428 W561D424-N428 WeakPolarHBondContact O-CB 3.4Å; D424-N428 PolarHBondContact O-N 3.05Å; D424-W561 HydrophobicContact CB-CH2 3.73Å; D424-W561 HydrophobicContact CB-CZ2 4.12Å; D424-W561 HydrophobicContact CB-CZ3 4.42Å
425L93.9Very high95.8Very high6 Ų622.7 Ų22.73%0.03111%0.112CC..Hα-helixtrans-61.3-63-172.4177.766.8000112.7V402 F405 G423 S429 W561 V564 A565V402-L425 HydrophobicContact CG1-CD1 4.07Å; V402-L425 HydrophobicContact CG2-CD1 4.41Å; F405-L425 HydrophobicContact CD1-CD1 4.25Å; F405-L425 HydrophobicContact CD1-CD2 4.45Å; F405-L425 HydrophobicContact CD1-CG 4.18Å; F405-L425 HydrophobicContact CE1-CD1 4.3Å; F405-L425 HydrophobicContact CE1-CD2 3.95Å; F405-L425 HydrophobicContact CE1-CG 3.72Å; F405-L425 HydrophobicContact CE2-CD2 4.25Å; F405-L425 HydrophobicContact CZ-CD2 3.83Å; F405-L425 HydrophobicContact CZ-CG 4.1Å; G423-L425 PolarHBondContact O-N 3.15Å; L425-S429 VanDerWaalsContact O-CB 3.24Å; L425-S429 WeakPolarHBondContact O-CB 3.41Å; L425-S429 PolarHBondContact O-N 2.97Å; L425-S429 PolarHBondContact O-OG 2.95Å; L425-W561 HydrophobicContact CB-CE3 4Å; L425-W561 HydrophobicContact CB-CZ3 3.83Å; L425-W561 HydrophobicContact CD1-CE3 4.38Å; L425-V564 HydrophobicContact CD2-CB 4.43Å; L425-V564 HydrophobicContact CD2-CG1 3.92Å; L425-A565 HydrophobicContact CD1-CB 4.13Å; L425-A565 HydrophobicContact CD2-CB 3.96Å
426P94.6Very high95.9Very high0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-72.7-34.817831-35.4000111F405 R422 L430 C502 I503F405-P426 HydrophobicContact CE1-CB 4.5Å; R422-P426 WeakPolarHBondContact O-CD 3.29Å; R422-P426 WeakPolarHBondContact O-CG 3.49Å; P426-L430 HydrophobicContact CB-CD1 4.23Å; P426-L430 WeakPolarHBondContact O-CB 3.39Å; P426-L430 WeakPolarHBondContact O-CD1 3.37Å; P426-L430 WeakPolarHBondContact O-CG 3.34Å; P426-L430 PolarHBondContact O-N 2.83Å; P426-L430 VanDerWaalsContact O-N 3.16Å; P426-C502 HydrophobicContact CB-CB 4.21Å; P426-I503 HydrophobicContact CB-CD1 4.47Å; P426-I503 VanDerWaalsContact CD-CD1 3.5Å; P426-I503 HydrophobicContact CG-CD1 3.66Å; P426-I503 HydrophobicContact CG-CG1 4.03Å
427G95.3Very high95.9Very high2 Ų214.5 Ų14.52%0.0218%0.077CC..Hα-helixtrans-59.3-56.4-179.900000112.2G423 R431G423-G427 PolarHBondContact O-N 3.24Å; G427-R431 WeakPolarHBondContact O-CB 3.36Å; G427-R431 PolarHBondContact O-N 3.37Å
428N97.1Very high95.9Very high10 Ų1019.4 Ų19.45%0.05310%0.103CC..Hα-helixtrans-78.7-36.8-172-61.1-19.2000112.4G34 E38 D424 R431 Y432G34-N428 PolarHBondContact O-ND2 3.34Å; E38-N428 HydrophobicContact CB-CB 4.49Å; D424-N428 WeakPolarHBondContact O-CB 3.4Å; D424-N428 PolarHBondContact O-N 3.05Å; N428-R431 PolarHBondContact OD1-NH1 2.96Å; N428-Y432 PolarHBondContact O-N 3.15Å; N428-Y432 VanDerWaalsContact O-N 3.11Å
429S97.4Very high95.9Very high4 Ų421 Ų213%0.02811%0.112CC..Hα-helixtrans-68.5-46.8178.464.90000112.5L425 R431 Y432 L433L425-S429 VanDerWaalsContact O-CB 3.24Å; L425-S429 WeakPolarHBondContact O-CB 3.41Å; L425-S429 PolarHBondContact O-N 2.97Å; L425-S429 PolarHBondContact O-OG 2.95Å; S429-R431 VanDerWaalsContact C-N 3.34Å; S429-R431 PolarHBondContact O-N 2.77Å; S429-Y432 PolarHBondContact O-N 3.46Å; S429-L433 WeakPolarHBondContact O-CG 3.27Å; S429-L433 PolarHBondContact O-N 2.94Å; S429-L433 VanDerWaalsContact O-N 3.11Å
430L97.9Very high95.9Very high0 Ų023.4 Ų23.40%012%0.121CC..Hα-helixtrans-66.6-39.5179.2-61.2176.7000110.9G406 L409 L410 T421 P426 Y432 L433 H434 L445G406-L430 WeakPolarHBondContact O-CD2 3.28Å; L409-L430 HydrophobicContact CB-CD2 4.02Å; L410-L430 HydrophobicContact CD1-CD2 4.2Å; L410-L430 HydrophobicContact CD2-CD2 3.75Å; L410-L430 HydrophobicContact CG-CD2 3.54Å; T421-L430 HydrophobicContact CG2-CD1 3.85Å; P426-L430 HydrophobicContact CB-CD1 4.23Å; P426-L430 WeakPolarHBondContact O-CB 3.39Å; P426-L430 WeakPolarHBondContact O-CD1 3.37Å; P426-L430 WeakPolarHBondContact O-CG 3.34Å; P426-L430 PolarHBondContact O-N 2.83Å; P426-L430 VanDerWaalsContact O-N 3.16Å; L430-Y432 PolarHBondContact O-N 3Å; L430-L433 PolarHBondContact O-N 2.81Å; L430-H434 WeakPolarHBondContact O-CB 3.48Å; L430-H434 PolarHBondContact O-N 3.4Å; L430-L445 HydrophobicContact CB-CD1 4.01Å; L430-L445 HydrophobicContact CB-CD2 4.38Å
431R96.3Very high95.8Very high9 Ų926.9 Ų26.93%0.03414%0.143CC..Hα-helixtrans-60.6-45.2177.6-171.1-175.7-61.5115.66.2112.2T41 W230 G427 N428 S429 H434 Y435 D447T41-R431 HydrophobicContact CG2-CG 3.66Å; W230-R431 VanDerWaalsContact CD2-CD 3.45Å; W230-R431 VanDerWaalsContact CE3-NE 3.29Å; W230-R431 HydrophobicContact CG-CG 4.48Å; W230-R431 VanDerWaalsContact CH2-CZ 3.45Å; W230-R431 VanDerWaalsContact CZ2-CZ 3.42Å; G427-R431 WeakPolarHBondContact O-CB 3.36Å; G427-R431 PolarHBondContact O-N 3.37Å; N428-R431 PolarHBondContact OD1-NH1 2.96Å; S429-R431 VanDerWaalsContact C-N 3.34Å; S429-R431 PolarHBondContact O-N 2.77Å; R431-H434 PolarHBondContact O-N 3.41Å; R431-Y435 HydrophobicContact CG-CD2 3.39Å; R431-Y435 HydrophobicContact CG-CE2 3.62Å; R431-Y435 WeakPolarHBondContact O-CB 3.45Å; R431-Y435 PolarHBondContact O-N 3.31Å; R431-D447 IonicContact NH2-OD2 3.88Å; R431-D447 PolarHBondContact NH2-OD2 3.04Å
432Y98.2Very high95.8Very high0 Ų028.5 Ų28.50%015%0.152CC..Iπ-helixtrans-59.7-51.8174.5165-101.4000111.6V31 I40 T41 P73 A74 N428 S429 L430 H434 C436 Q437V31-Y432 HydrophobicContact CB-CD1 3.45Å; V31-Y432 VanDerWaalsContact CB-CD1 3.45Å; V31-Y432 HydrophobicContact CB-CE1 3.56Å; V31-Y432 HydrophobicContact CB-CG 4.01Å; V31-Y432 HydrophobicContact CG1-CD1 3.49Å; V31-Y432 VanDerWaalsContact CG1-CD1 3.49Å; V31-Y432 HydrophobicContact CG1-CE1 3.74Å; V31-Y432 HydrophobicContact CG1-CG 4.38Å; V31-Y432 HydrophobicContact CG2-CD1 3.85Å; V31-Y432 HydrophobicContact CG2-CE1 4.39Å; V31-Y432 HydrophobicContact CG2-CG 3.93Å; I40-Y432 HydrophobicContact CB-CD2 4.15Å; I40-Y432 HydrophobicContact CB-CE2 4.48Å; I40-Y432 HydrophobicContact CG2-CD2 3.57Å; I40-Y432 HydrophobicContact CG2-CE2 3.53Å; T41-Y432 VanDerWaalsContact OG1-CA 3.29Å; T41-Y432 WeakPolarHBondContact OG1-CA 3.35Å; T41-Y432 PolarHBondContact OG1-N 3.03Å; P73-Y432 HydrophobicContact CB-CE2 4.17Å; A74-Y432 HydrophobicContact CB-CE1 4.38Å; A74-Y432 HydrophobicContact CB-CE2 4.01Å; A74-Y432 WeakPolarHBondContact CB-OH 3.41Å; A74-Y432 PolarHBondContact N-OH 3.31Å; N428-Y432 PolarHBondContact O-N 3.15Å; N428-Y432 VanDerWaalsContact O-N 3.11Å; S429-Y432 PolarHBondContact O-N 3.46Å; L430-Y432 PolarHBondContact O-N 3Å; Y432-H434 VanDerWaalsContact C-N 3.29Å; Y432-H434 PolarHBondContact O-N 3.42Å; Y432-C436 HydrophobicContact CD2-CB 3.79Å; Y432-C436 HydrophobicContact CE2-CB 3.88Å; Y432-C436 WeakPolarHBondContact O-CA 3.18Å; Y432-C436 VanDerWaalsContact O-CB 3.23Å; Y432-C436 WeakPolarHBondContact O-CB 3.38Å; Y432-C436 PolarHBondContact O-N 2.79Å; Y432-Q437 HydrophobicContact CE1-CG 4.18Å; Y432-Q437 VanDerWaalsContact CE1-NE2 3.32Å; Y432-Q437 VanDerWaalsContact CZ-NE2 3.33Å; Y432-Q437 PolarHBondContact O-N 3.48Å; Y432-Q437 PolarHBondContact OH-NE2 3.23Å
433L98.4Very high95.9Very high0 Ų025.2 Ų25.20%014%0.139CC..Iπ-helixtrans-61.7-40.1-177.9-69.2172.3000111.9E403 G406 R407 L410 S429 L430 Q437 D438 I439E403-L433 HydrophobicContact CG-CD2 4.02Å; G406-L433 VanDerWaalsContact C-CD1 3.47Å; R407-L433 HydrophobicContact CG-CD1 4.03Å; R407-L433 HydrophobicContact CG-CD2 4.34Å; L410-L433 HydrophobicContact CD1-CB 3.65Å; L410-L433 HydrophobicContact CD1-CD1 3.99Å; L410-L433 HydrophobicContact CD1-CG 4.48Å; S429-L433 WeakPolarHBondContact O-CG 3.27Å; S429-L433 PolarHBondContact O-N 2.94Å; S429-L433 VanDerWaalsContact O-N 3.11Å; L430-L433 PolarHBondContact O-N 2.81Å; L433-Q437 CarbonylContact O-C 3.31Å; L433-Q437 WeakPolarHBondContact O-CB 3.49Å; L433-Q437 PolarHBondContact O-N 3.48Å; L433-D438 PolarHBondContact O-N 3.05Å; L433-I439 HydrophobicContact CB-CB 4.43Å; L433-I439 HydrophobicContact CB-CD1 3.9Å; L433-I439 HydrophobicContact CD2-CD1 3.59Å; L433-I439 HydrophobicContact CG-CD1 4.28Å; L433-I439 WeakPolarHBondContact O-CB 3.21Å; L433-I439 PolarHBondContact O-N 3.08Å
434H97.2Very high96.3Very high8 Ų826 Ų264%0.03714%0.135CC..Iπ-helixtrans-76.8-47.7-177.2-176.262.8000112.8L430 R431 Y432 D438 I439 R440 I443 L445L430-H434 WeakPolarHBondContact O-CB 3.48Å; L430-H434 PolarHBondContact O-N 3.4Å; R431-H434 PolarHBondContact O-N 3.41Å; Y432-H434 VanDerWaalsContact C-N 3.29Å; Y432-H434 PolarHBondContact O-N 3.42Å; H434-D438 WeakPolarHBondContact O-CA 3.16Å; H434-D438 PolarHBondContact O-N 2.67Å; H434-I439 WeakPolarHBondContact CA-O 3.37Å; H434-I439 PolarHBondContact ND1-O 3.19Å; H434-R440 PolarHBondContact CE1-O 2.69Å; H434-R440 PolarHBondContact ND1-O 3.2Å; H434-I443 PolarHBondContact CE1-O 3.23Å; H434-L445 HydrophobicContact CB-CD1 3.75Å
435Y96.3Very high96.5Very high21 Ų2123.4 Ų23.48%0.08212%0.121CC..Iπ-helixtrans-89.4-36.8-174.6-61.1-37000113.7T41 R229 W230 R431T41-Y435 HydrophobicContact CG2-CD2 3.95Å; R229-Y435 HydrophobicContact CB-CD1 4.17Å; R229-Y435 HydrophobicContact CB-CE1 4.02Å; R229-Y435 HydrophobicContact CB-CE2 4.43Å; R229-Y435 HydrophobicContact CB-CG 4.44Å; R229-Y435 PolarHBondContact NH2-O 2.87Å; W230-Y435 HydrophobicContact CB-CD2 4.19Å; W230-Y435 HydrophobicContact CB-CE2 4.13Å; R431-Y435 HydrophobicContact CG-CD2 3.39Å; R431-Y435 HydrophobicContact CG-CE2 3.62Å; R431-Y435 WeakPolarHBondContact O-CB 3.45Å; R431-Y435 PolarHBondContact O-N 3.31Å
436C96.9Very high96.6Very high28 Ų2823.1 Ų23.119%0.18912%0.119CC..Iπ-helixtrans-87.3-35178.6-65.70000113.6T41 C44 P73 Y432T41-C436 VanDerWaalsContact CA-SG 3.57Å; C44-C436 HydrophobicContact CB-CB 4.08Å; C44-C436 WeakPolarHBondContact CB-SG 3.43Å; C44-C436 WeakPolarHBondContact SG-CB 3.35Å; C44-C436 CovalentContact SG-SG 2.05Å; C44-C436 PolarHBondContact SG-SG 2.69Å; P73-C436 HydrophobicContact CG-CB 4.32Å; Y432-C436 HydrophobicContact CD2-CB 3.79Å; Y432-C436 HydrophobicContact CE2-CB 3.88Å; Y432-C436 WeakPolarHBondContact O-CA 3.18Å; Y432-C436 VanDerWaalsContact O-CB 3.23Å; Y432-C436 WeakPolarHBondContact O-CB 3.38Å; Y432-C436 PolarHBondContact O-N 2.79Å
437Q97.2Very high96.6Very high52 Ų5223.7 Ų23.724%0.24312%0.122CC..SBendtrans-106.21.3-176.5-63.1-162.4800114.2Y432 L433 I439Y432-Q437 HydrophobicContact CE1-CG 4.18Å; Y432-Q437 VanDerWaalsContact CE1-NE2 3.32Å; Y432-Q437 VanDerWaalsContact CZ-NE2 3.33Å; Y432-Q437 PolarHBondContact O-N 3.48Å; Y432-Q437 PolarHBondContact OH-NE2 3.23Å; L433-Q437 CarbonylContact O-C 3.31Å; L433-Q437 WeakPolarHBondContact O-CB 3.49Å; L433-Q437 PolarHBondContact O-N 3.48Å; Q437-I439 HydrophobicContact CB-CD1 3.81Å; Q437-I439 HydrophobicContact CB-CG1 3.99Å; Q437-I439 PolarHBondContact O-N 2.82Å
438D96.2Very high96.5Very high103 Ų10323.7 Ų23.755%0.55112%0.122SC*.  trans5634.2179.2-159.640.9000113.5L433 H434L433-D438 PolarHBondContact O-N 3.05Å; H434-D438 WeakPolarHBondContact O-CA 3.16Å; H434-D438 PolarHBondContact O-N 2.67Å
439I97.4Very high96.2Very high34 Ų3426.9 Ų26.917%0.17414%0.136CC..  trans-83.8127.3177.9-61.9163.8000108.9L410 L433 H434 Q437L410-I439 HydrophobicContact CB-CG2 4.47Å; L410-I439 HydrophobicContact CD1-CB 4.18Å; L410-I439 HydrophobicContact CD1-CG2 3.68Å; L433-I439 HydrophobicContact CB-CB 4.43Å; L433-I439 HydrophobicContact CB-CD1 3.9Å; L433-I439 HydrophobicContact CD2-CD1 3.59Å; L433-I439 HydrophobicContact CG-CD1 4.28Å; L433-I439 WeakPolarHBondContact O-CB 3.21Å; L433-I439 PolarHBondContact O-N 3.08Å; H434-I439 WeakPolarHBondContact CA-O 3.37Å; H434-I439 PolarHBondContact ND1-O 3.19Å; Q437-I439 HydrophobicContact CB-CD1 3.81Å; Q437-I439 HydrophobicContact CB-CG1 3.99Å; Q437-I439 PolarHBondContact O-N 2.82Å
440R97.1Very high96Very high50 Ų5027 Ų2719%0.18914%0.136CC..  trans54.258.5-178.8-66.4-64.2-53.6-89.41.9112.6L410 F413 P414 H434 D442 I443L410-R440 HydrophobicContact CB-CG 4.06Å; L410-R440 PolarHBondContact O-NH1 2.98Å; F413-R440 PolarHBondContact O-NH1 3.12Å; F413-R440 PolarHBondContact O-NH2 3.26Å; P414-R440 PolarHBondContact O-NH2 3.41Å; H434-R440 PolarHBondContact CE1-O 2.69Å; H434-R440 PolarHBondContact ND1-O 3.2Å; R440-D442 WeakPolarHBondContact CA-OD1 3.16Å; R440-D442 IonicContact CZ-OD1 3.68Å; R440-D442 IonicContact CZ-OD2 2.73Å; R440-D442 IonicContact NE-OD1 3.69Å; R440-D442 PolarHBondContact NE-OD1 3.03Å; R440-D442 IonicContact NE-OD2 3.51Å; R440-D442 IonicContact NH2-OD1 3.79Å; R440-D442 IonicContact NH2-OD2 2.72Å; R440-D442 PolarHBondContact NH2-OD2 2.93Å; R440-D442 PolarHBondContact O-N 3.23Å; R440-I443 HydrophobicContact CB-CD1 4.35Å; R440-I443 HydrophobicContact CB-CG1 4.06Å; R440-I443 HydrophobicContact CB-CG2 4.35Å; R440-I443 VanDerWaalsContact NH2-CG2 3.31Å; R440-I443 VanDerWaalsContact O-CG1 3.27Å; R440-I443 WeakPolarHBondContact O-CG1 3.04Å; R440-I443 PolarHBondContact O-N 3.4Å; R440-I443 VanDerWaalsContact O-N 3.15Å
441P95.3Very high95.7Very high73 Ų7327.1 Ų27.147%0.47414%0.137SC..THydrogen-bonded Turntrans-62.6-12.8178.627.5-34.9000113.4R444P441-R444 PolarHBondContact O-NH1 2.83Å
442D95.5Very high95.5Very high39 Ų3928.7 Ų28.721%0.20915%0.147CC..THydrogen-bonded Turntrans-73.4-25.1176.867.1-63.9000113.8K415 D416 R440 R444K415-D442 WeakPolarHBondContact CA-OD2 3.06Å; D416-D442 PolarHBondContact N-OD2 3.35Å; R440-D442 WeakPolarHBondContact CA-OD1 3.16Å; R440-D442 IonicContact CZ-OD1 3.68Å; R440-D442 IonicContact CZ-OD2 2.73Å; R440-D442 IonicContact NE-OD1 3.69Å; R440-D442 PolarHBondContact NE-OD1 3.03Å; R440-D442 IonicContact NE-OD2 3.51Å; R440-D442 IonicContact NH2-OD1 3.79Å; R440-D442 IonicContact NH2-OD2 2.72Å; R440-D442 PolarHBondContact NH2-OD2 2.93Å; R440-D442 PolarHBondContact O-N 3.23Å; D442-R444 PolarHBondContact O-NH1 3.48Å
443I96Very high95.1Very high0 Ų030.6 Ų30.60%016%0.155CC..SBendtrans-84.7164.6-178.868.8163000112.3L410 S417 I419 H434 R440 L445L410-I443 HydrophobicContact CD2-CD1 3.29Å; S417-I443 WeakPolarHBondContact O-CA 3.43Å; S417-I443 WeakPolarHBondContact O-CB 3.42Å; I419-I443 HydrophobicContact CG1-CB 4.5Å; I419-I443 HydrophobicContact CG1-CD1 3.96Å; H434-I443 PolarHBondContact CE1-O 3.23Å; R440-I443 HydrophobicContact CB-CD1 4.35Å; R440-I443 HydrophobicContact CB-CG1 4.06Å; R440-I443 HydrophobicContact CB-CG2 4.35Å; R440-I443 VanDerWaalsContact NH2-CG2 3.31Å; R440-I443 VanDerWaalsContact O-CG1 3.27Å; R440-I443 WeakPolarHBondContact O-CG1 3.04Å; R440-I443 PolarHBondContact O-N 3.4Å; R440-I443 VanDerWaalsContact O-N 3.15Å; I443-L445 HydrophobicContact CD1-CD2 3.63Å; I443-L445 HydrophobicContact CD1-CG 4.37Å; I443-L445 HydrophobicContact CG1-CD2 4.46Å
444R96.3Very high94.8Very high42 Ų4233.7 Ų33.716%0.15818%0.177CC..EExtended strand (participates in β ladder)trans-120122.9173.6-60.6-64.9172.1-95.8-3.1109.6S417 L418 I419 P441 D442 L464 P465 V467S417-R444 PolarHBondContact O-N 3.33Å; L418-R444 HydrophobicContact CD1-CB 3.63Å; I419-R444 PolarHBondContact N-O 3.33Å; P441-R444 PolarHBondContact O-NH1 2.83Å; D442-R444 PolarHBondContact O-NH1 3.48Å; R444-L464 HydrophobicContact CB-CD2 4.34Å; R444-P465 PolarHBondContact NE-O 3.07Å; R444-V467 HydrophobicContact CB-CG2 3.9Å; R444-V467 HydrophobicContact CG-CG2 3.82Å
445L96.8Very high94.6Very high11 Ų1134.5 Ų34.56%0.05818%0.179CC..EExtended strand (participates in β ladder)trans-94.4126.5176-59.2-176.9000109.5I419 L430 H434 I443 L464I419-L445 HydrophobicContact CB-CD2 3.89Å; I419-L445 HydrophobicContact CG1-CD2 4.18Å; I419-L445 HydrophobicContact CG2-CD2 4.4Å; L430-L445 HydrophobicContact CB-CD1 4.01Å; L430-L445 HydrophobicContact CB-CD2 4.38Å; H434-L445 HydrophobicContact CB-CD1 3.75Å; I443-L445 HydrophobicContact CD1-CD2 3.63Å; I443-L445 HydrophobicContact CD1-CG 4.37Å; I443-L445 HydrophobicContact CG1-CD2 4.46Å; L445-L464 WeakPolarHBondContact O-CD2 3.4Å
446V96.1Very high94.5Very high0 Ų033.8 Ų33.80%018%0.176CC..EExtended strand (participates in β ladder)trans-129.3123.3177.7175.10000109L418 I419 L420 T421 M451 Y456 L464 V467 F469L418-V446 HydrophobicContact CD1-CB 4.43Å; L418-V446 HydrophobicContact CD1-CG2 3.6Å; I419-V446 PolarHBondContact O-N 2.84Å; L420-V446 CarbonylContact C-O 3.44Å; L420-V446 VanDerWaalsContact CA-O 3.28Å; L420-V446 WeakPolarHBondContact CA-O 3.5Å; L420-V446 HydrophobicContact CD2-CB 3.9Å; L420-V446 HydrophobicContact CD2-CG1 3.98Å; T421-V446 PolarHBondContact N-O 3.14Å; V446-M451 HydrophobicContact CG1-CE 4.42Å; V446-M451 HydrophobicContact CG1-CG 3.72Å; V446-M451 HydrophobicContact CG1-SD 3.11Å; V446-M451 WeakPolarHBondContact CG1-SD 3.19Å; V446-Y456 WeakPolarHBondContact CA-OH 3.15Å; V446-Y456 HydrophobicContact CG1-CE1 4.44Å; V446-L464 HydrophobicContact CG2-CD1 3.83Å; V446-V467 HydrophobicContact CG2-CG1 4.47Å; V446-F469 HydrophobicContact CG1-CE1 4.26Å; V446-F469 HydrophobicContact CG1-CZ 4.31Å; V446-F469 HydrophobicContact CG2-CZ 4.34Å
447D94.4Very high94.3Very high12 Ų1233.3 Ų33.36%0.06417%0.173CC..EExtended strand (participates in β ladder)trans-87.8118.3-178.4-169.4-57.9000110.8W230 R431 E449 M450 M451 Y456W230-D447 HydrophobicContact CZ3-CB 4.45Å; R431-D447 IonicContact NH2-OD2 3.88Å; R431-D447 PolarHBondContact NH2-OD2 3.04Å; D447-E449 VanDerWaalsContact C-N 3.33Å; D447-E449 PolarHBondContact O-N 3.18Å; D447-E449 PolarHBondContact OD1-N 3.28Å; D447-M450 HydrophobicContact CB-CB 3.93Å; D447-M450 HydrophobicContact CB-CG 3.82Å; D447-M450 PolarHBondContact O-N 3.43Å; D447-M450 PolarHBondContact OD1-N 3.23Å; D447-M451 VanDerWaalsContact O-CG 3.28Å; D447-M451 WeakPolarHBondContact O-CG 3.46Å; D447-M451 PolarHBondContact O-N 2.75Å; D447-Y456 HydrophobicContact CB-CE2 4.43Å; D447-Y456 PolarHBondContact N-OH 2.87Å; D447-Y456 VanDerWaalsContact N-OH 3.14Å
448Q93.5Very high94Very high2 Ų235.2 Ų35.21%0.00919%0.188CC..THydrogen-bonded Turntrans-59.4-43.5-176.6-73.1-17465.500111.9L420 T421 W474 G504L420-Q448 HydrophobicContact CB-CG 3.85Å; T421-Q448 WeakPolarHBondContact O-CB 3.31Å; T421-Q448 WeakPolarHBondContact O-CG 3.5Å; T421-Q448 PolarHBondContact O-N 3.43Å; Q448-W474 HydrophobicContact CB-CZ3 3.9Å; Q448-W474 HydrophobicContact CG-CZ3 4.42Å; Q448-W474 VanDerWaalsContact O-CE3 3.22Å; Q448-W474 VanDerWaalsContact O-CZ3 3.23Å; Q448-W474 WeakPolarHBondContact O-CZ3 3.08Å; Q448-G504 PolarHBondContact NE2-O 2.77Å
449E90Very high93.8Very high76 Ų7631.2 Ų31.236%0.35517%0.166SC..THydrogen-bonded Turntrans-73.4-37.8-176.4-64.9175.7174.800110.2D447 M451 T452D447-E449 VanDerWaalsContact C-N 3.33Å; D447-E449 PolarHBondContact O-N 3.18Å; D447-E449 PolarHBondContact OD1-N 3.28Å; E449-M451 PolarHBondContact O-N 2.64Å; E449-T452 WeakPolarHBondContact O-CB 3.48Å; E449-T452 PolarHBondContact O-N 3.15Å; E449-T452 PolarHBondContact O-OG1 3.11Å
450M92.1Very high93.5Very high8 Ų829.8 Ų29.84%0.03916%0.158CC..G310 helixtrans-70.9-30.9179.6-59.8-58.2106.700113.3W230 W232 D447 T452 Y453 W455 Y456W230-M450 HydrophobicContact CH2-CG 3.71Å; W230-M450 HydrophobicContact CH2-SD 4.39Å; W230-M450 HydrophobicContact CZ3-CG 4.17Å; W232-M450 HydrophobicContact CD2-SD 4.04Å; W232-M450 HydrophobicContact CE3-SD 3.92Å; W232-M450 HydrophobicContact CH2-CE 3.24Å; W232-M450 HydrophobicContact CH2-SD 3.64Å; W232-M450 HydrophobicContact CZ2-CE 3.66Å; W232-M450 HydrophobicContact CZ2-SD 3.75Å; W232-M450 HydrophobicContact CZ3-CE 3.73Å; W232-M450 HydrophobicContact CZ3-SD 3.73Å; D447-M450 HydrophobicContact CB-CB 3.93Å; D447-M450 HydrophobicContact CB-CG 3.82Å; D447-M450 PolarHBondContact O-N 3.43Å; D447-M450 PolarHBondContact OD1-N 3.23Å; M450-T452 PolarHBondContact O-N 3.2Å; M450-Y453 HydrophobicContact CE-CE2 4.47Å; M450-Y453 WeakPolarHBondContact O-CB 3.42Å; M450-Y453 PolarHBondContact O-N 3.47Å; M450-W455 HydrophobicContact CB-CH2 4.47Å; M450-W455 HydrophobicContact CG-CH2 4.48Å; M450-W455 HydrophobicContact SD-CH2 3.85Å; M450-W455 HydrophobicContact SD-CZ2 4.04Å; M450-Y456 HydrophobicContact CB-CD2 3.26Å; M450-Y456 HydrophobicContact CB-CE2 3.56Å; M450-Y456 HydrophobicContact CB-CG 3.8Å; M450-Y456 HydrophobicContact CG-CD2 4.22Å; M450-Y456 HydrophobicContact CG-CE2 4.35Å; M450-Y456 WeakPolarHBondContact O-CB 3.31Å
451M92.4Very high93.2Very high2 Ų228 Ų281%0.0116%0.156CC..G310 helixtrans-57.2-19.8174.7-77171.567.900113.6V446 D447 E449 Y453 Y456 F469 R473 W474 F485 F490V446-M451 HydrophobicContact CG1-CE 4.42Å; V446-M451 HydrophobicContact CG1-CG 3.72Å; V446-M451 HydrophobicContact CG1-SD 3.11Å; V446-M451 WeakPolarHBondContact CG1-SD 3.19Å; D447-M451 VanDerWaalsContact O-CG 3.28Å; D447-M451 WeakPolarHBondContact O-CG 3.46Å; D447-M451 PolarHBondContact O-N 2.75Å; E449-M451 PolarHBondContact O-N 2.64Å; M451-Y453 PolarHBondContact O-N 3.38Å; M451-Y456 HydrophobicContact CB-CD1 4.42Å; M451-Y456 HydrophobicContact CG-CD1 3.93Å; M451-Y456 HydrophobicContact CG-CE1 3.61Å; M451-F469 HydrophobicContact CE-CD1 4.2Å; M451-F469 HydrophobicContact CE-CE1 3.93Å; M451-F469 HydrophobicContact CG-CE1 4.09Å; M451-F469 HydrophobicContact SD-CE1 4.23Å; M451-R473 WeakPolarHBondContact O-CA 3.25Å; M451-W474 HydrophobicContact CB-CB 3.98Å; M451-W474 HydrophobicContact CB-CE3 4.18Å; M451-W474 HydrophobicContact CE-CB 4.3Å; M451-W474 PolarHBondContact O-N 3.38Å; M451-F485 HydrophobicContact CE-CE2 3.5Å; M451-F485 HydrophobicContact CE-CZ 3.61Å; M451-F490 HydrophobicContact CE-CD1 4.35Å; M451-F490 HydrophobicContact CE-CD2 3.96Å; M451-F490 HydrophobicContact CE-CE1 4.43Å; M451-F490 HydrophobicContact CE-CE2 4.04Å; M451-F490 HydrophobicContact CE-CG 4.1Å; M451-F490 HydrophobicContact CE-CZ 4.25Å
452T91.2Very high93Very high41 Ų4130.4 Ų30.425%0.25216%0.161SC..G310 helixtrans-71.6-15175.571.20000113.6E449 M450 W474E449-T452 WeakPolarHBondContact O-CB 3.48Å; E449-T452 PolarHBondContact O-N 3.15Å; E449-T452 PolarHBondContact O-OG1 3.11Å; M450-T452 PolarHBondContact O-N 3.2Å; T452-W474 VanDerWaalsContact CA-O 3.31Å; T452-W474 WeakPolarHBondContact CA-O 3.3Å; T452-W474 HydrophobicContact CG2-CE3 4.22Å
453Y91.4Very high93Very high41 Ų4130.7 Ų30.716%0.16116%0.161CC..SBendtrans-96.7132.9177.5-63.9-90.8000111.5E249 K257 M450 M451 W455 Y456E249-Y453 HydrophobicContact CB-CE1 4.21Å; E249-Y453 HydrophobicContact CG-CE1 3.9Å; E249-Y453 WeakPolarHBondContact OE1-CD1 3.44Å; E249-Y453 WeakPolarHBondContact OE1-CE1 3.27Å; K257-Y453 PolarHBondContact NZ-OH 3.38Å; M450-Y453 HydrophobicContact CE-CE2 4.47Å; M450-Y453 WeakPolarHBondContact O-CB 3.42Å; M450-Y453 PolarHBondContact O-N 3.47Å; M451-Y453 PolarHBondContact O-N 3.38Å; Y453-W455 VanDerWaalsContact CB-NE1 3.32Å; Y453-W455 AromaticContact CD1-NE1 3.53Å; Y453-W455 HydrophobicContact CD2-CZ2 4.32Å; Y453-W455 AromaticContact CG-CE2 3.91Å; Y453-W455 HydrophobicContact CG-CZ2 4.13Å; Y453-W455 AromaticContact CG-NE1 3.54Å; Y453-W455 PolarHBondContact O-N 2.89Å; Y453-Y456 WeakPolarHBondContact O-CB 3.29Å; Y453-Y456 PolarHBondContact O-N 3.02Å; Y453-Y456 VanDerWaalsContact O-N 3.09Å
454S90.9Very high92.9Very high65 Ų6531 Ų3146%0.45516%0.162SC..Hα-helixtrans-64.3-29.6-17955.60000113.7Y456 T458 R472S454-Y456 VanDerWaalsContact C-N 3.28Å; S454-Y456 PolarHBondContact O-N 3.4Å; S454-T458 PolarHBondContact O-N 3.42Å; S454-T458 PolarHBondContact O-OG1 3.33Å; S454-R472 WeakPolarHBondContact CA-O 3.44Å
455W93Very high92.7Very high24 Ų2432.6 Ų32.69%0.09118%0.178CC..Hα-helixtrans-65.3-32.4175.961-109.5000111.9S231 W232 G233 D234 E249 M450 Y453 K459 L460S231-W455 WeakPolarHBondContact O-CZ3 3.35Å; W232-W455 AromaticContact CD1-CZ2 3.84Å; W232-W455 HydrophobicContact CG-CH2 4.19Å; W232-W455 HydrophobicContact CG-CZ2 4.27Å; W232-W455 AromaticContact NE1-CZ2 3.87Å; G233-W455 VanDerWaalsContact CA-CD2 3.45Å; G233-W455 VanDerWaalsContact N-CH2 3.28Å; G233-W455 VanDerWaalsContact N-CZ3 3.25Å; D234-W455 HydrophobicContact CB-CB 3.76Å; E249-W455 PolarHBondContact OE1-NE1 3.31Å; M450-W455 HydrophobicContact CB-CH2 4.47Å; M450-W455 HydrophobicContact CG-CH2 4.48Å; M450-W455 HydrophobicContact SD-CH2 3.85Å; M450-W455 HydrophobicContact SD-CZ2 4.04Å; Y453-W455 VanDerWaalsContact CB-NE1 3.32Å; Y453-W455 AromaticContact CD1-NE1 3.53Å; Y453-W455 HydrophobicContact CD2-CZ2 4.32Å; Y453-W455 AromaticContact CG-CE2 3.91Å; Y453-W455 HydrophobicContact CG-CZ2 4.13Å; Y453-W455 AromaticContact CG-NE1 3.54Å; Y453-W455 PolarHBondContact O-N 2.89Å; W455-K459 VanDerWaalsContact O-CB 3.31Å; W455-K459 WeakPolarHBondContact O-CB 3.38Å; W455-K459 PolarHBondContact O-N 3.04Å; W455-L460 HydrophobicContact CZ3-CD1 4.39Å
456Y94.4Very high92.4Very high6 Ų634 Ų342%0.02420%0.195CC..Hα-helixtrans-65.2-53.8-176.1177.3-91.5000111.5W230 V446 D447 M450 M451 Y453 S454 T458 K459 L460 G461 F469W230-Y456 HydrophobicContact CZ3-CE2 4.17Å; V446-Y456 WeakPolarHBondContact CA-OH 3.15Å; V446-Y456 HydrophobicContact CG1-CE1 4.44Å; D447-Y456 HydrophobicContact CB-CE2 4.43Å; D447-Y456 PolarHBondContact N-OH 2.87Å; D447-Y456 VanDerWaalsContact N-OH 3.14Å; M450-Y456 HydrophobicContact CB-CD2 3.26Å; M450-Y456 HydrophobicContact CB-CE2 3.56Å; M450-Y456 HydrophobicContact CB-CG 3.8Å; M450-Y456 HydrophobicContact CG-CD2 4.22Å; M450-Y456 HydrophobicContact CG-CE2 4.35Å; M450-Y456 WeakPolarHBondContact O-CB 3.31Å; M451-Y456 HydrophobicContact CB-CD1 4.42Å; M451-Y456 HydrophobicContact CG-CD1 3.93Å; M451-Y456 HydrophobicContact CG-CE1 3.61Å; Y453-Y456 WeakPolarHBondContact O-CB 3.29Å; Y453-Y456 PolarHBondContact O-N 3.02Å; Y453-Y456 VanDerWaalsContact O-N 3.09Å; S454-Y456 VanDerWaalsContact C-N 3.28Å; S454-Y456 PolarHBondContact O-N 3.4Å; Y456-T458 VanDerWaalsContact C-N 3.29Å; Y456-T458 PolarHBondContact O-N 3.44Å; Y456-K459 PolarHBondContact O-N 2.96Å; Y456-L460 HydrophobicContact CD2-CB 4.23Å; Y456-L460 HydrophobicContact CD2-CD1 3.67Å; Y456-L460 HydrophobicContact CD2-CG 4.24Å; Y456-L460 HydrophobicContact CE2-CB 4.19Å; Y456-L460 HydrophobicContact CE2-CD1 3.66Å; Y456-L460 HydrophobicContact CE2-CG 4.44Å; Y456-L460 WeakPolarHBondContact O-CA 3.46Å; Y456-L460 WeakPolarHBondContact O-CB 3.48Å; Y456-L460 PolarHBondContact O-N 2.8Å; Y456-G461 PolarHBondContact O-N 2.94Å; Y456-F469 HydrophobicContact CE1-CE1 4.48Å; Y456-F469 HydrophobicContact CE1-CZ 4.36Å
457V93.3Very high92.4Very high18 Ų1834.6 Ų34.611%0.10920%0.199CC..Hα-helixtrans-62.8-41.2-179.3179.40000110.6G461 F469 G471 R472 F485V457-G461 WeakPolarHBondContact O-CA 3.07Å; V457-G461 PolarHBondContact O-N 2.83Å; V457-F469 HydrophobicContact CG1-CB 3.49Å; V457-F469 VanDerWaalsContact CG1-CB 3.49Å; V457-F469 HydrophobicContact CG1-CD1 4.26Å; V457-F469 HydrophobicContact CG1-CD2 4.07Å; V457-F469 HydrophobicContact CG1-CG 3.69Å; V457-F469 HydrophobicContact CG2-CD1 4.06Å; V457-F469 HydrophobicContact CG2-CG 4.34Å; V457-G471 WeakPolarHBondContact CG1-O 3.42Å; V457-R472 VanDerWaalsContact CB-O 3.27Å; V457-R472 WeakPolarHBondContact CB-O 3.32Å; V457-R472 VanDerWaalsContact CG2-O 3.3Å; V457-R472 WeakPolarHBondContact CG2-O 3.39Å; V457-F485 HydrophobicContact CG2-CE1 4.26Å
458T90.9Very high92.4Very high92 Ų9239.3 Ų39.356%0.56422%0.22SC*.Hα-helixtrans-67.2-42.3-178.4-52.80000112.2S454 Y456S454-T458 PolarHBondContact O-N 3.42Å; S454-T458 PolarHBondContact O-OG1 3.33Å; Y456-T458 VanDerWaalsContact C-N 3.29Å; Y456-T458 PolarHBondContact O-N 3.44Å
459K91.3Very high92.5Very high19 Ų1940.8 Ų40.88%0.08323%0.227CC..Hα-helixtrans-95.5-43.2-174.4-75.4-156.5168-172.90115.2S223 N226 D234 T236 W455 Y456 Q462 H463S223-K459 PolarHBondContact O-NZ 3.18Å; S223-K459 PolarHBondContact OG-NZ 3.03Å; N226-K459 PolarHBondContact ND2-O 3.33Å; D234-K459 HydrophobicContact CB-CD 4.23Å; D234-K459 WeakPolarHBondContact OD1-CE 3.48Å; D234-K459 IonicContact OD1-NZ 3.07Å; D234-K459 PolarHBondContact OD1-NZ 3.25Å; D234-K459 WeakPolarHBondContact OD2-CE 3.46Å; D234-K459 IonicContact OD2-NZ 2.71Å; T236-K459 VanDerWaalsContact CG2-NZ 3.29Å; W455-K459 VanDerWaalsContact O-CB 3.31Å; W455-K459 WeakPolarHBondContact O-CB 3.38Å; W455-K459 PolarHBondContact O-N 3.04Å; Y456-K459 PolarHBondContact O-N 2.96Å; K459-Q462 WeakPolarHBondContact O-CG 3.38Å; K459-H463 PolarHBondContact O-CD2 3.32Å
460L92.3Very high92.6Very high4 Ų438.8 Ų38.82%0.02122%0.22CC..Hα-helixtrans-92.4-20.9-175.8-57-166.8000111.7W230 W455 Y456 Q462 H463W230-L460 HydrophobicContact CE3-CD1 3.8Å; W230-L460 HydrophobicContact CZ3-CD1 4.18Å; W455-L460 HydrophobicContact CZ3-CD1 4.39Å; Y456-L460 HydrophobicContact CD2-CB 4.23Å; Y456-L460 HydrophobicContact CD2-CD1 3.67Å; Y456-L460 HydrophobicContact CD2-CG 4.24Å; Y456-L460 HydrophobicContact CE2-CB 4.19Å; Y456-L460 HydrophobicContact CE2-CD1 3.66Å; Y456-L460 HydrophobicContact CE2-CG 4.44Å; Y456-L460 WeakPolarHBondContact O-CA 3.46Å; Y456-L460 WeakPolarHBondContact O-CB 3.48Å; Y456-L460 PolarHBondContact O-N 2.8Å; L460-Q462 VanDerWaalsContact C-N 3.25Å; L460-Q462 PolarHBondContact O-N 2.93Å; L460-H463 WeakPolarHBondContact O-CB 3.31Å; L460-H463 PolarHBondContact O-N 3.48Å
461G90.9Very high92.6Very high14 Ų1439.6 Ų39.614%0.14423%0.231CC..G310 helixtrans-56.8-36173.500000113.7Y456 V457 H463 L464Y456-G461 PolarHBondContact O-N 2.94Å; V457-G461 WeakPolarHBondContact O-CA 3.07Å; V457-G461 PolarHBondContact O-N 2.83Å; G461-H463 PolarHBondContact O-N 3.02Å; G461-L464 PolarHBondContact O-N 3.09Å; G461-L464 VanDerWaalsContact O-N 3.15Å
462Q91.3Very high92.5Very high123 Ų12346.7 Ų46.758%0.57526%0.257SS*.G310 helixtrans-66.3-22.3175.953.5162.642.500113.8N226 K459 L460 L464N226-Q462 PolarHBondContact ND2-NE2 3.29Å; K459-Q462 WeakPolarHBondContact O-CG 3.38Å; L460-Q462 VanDerWaalsContact C-N 3.25Å; L460-Q462 PolarHBondContact O-N 2.93Å; Q462-L464 VanDerWaalsContact C-N 3.29Å
463H94.4Very high92.6Very high44 Ų4449 Ų4920%0.20426%0.262CS..G310 helixtrans-88.42177.5-63.2-61.5000112.8N226 A228 R229 K459 L460 G461 P465N226-H463 PolarHBondContact O-CE1 3.02Å; N226-H463 PolarHBondContact O-NE2 3.15Å; N226-H463 PolarHBondContact OD1-NE2 3.43Å; A228-H463 PolarHBondContact O-NE2 3.47Å; R229-H463 HydrophobicContact CB-CB 4.44Å; R229-H463 HydrophobicContact CG-CB 4.32Å; K459-H463 PolarHBondContact O-CD2 3.32Å; L460-H463 WeakPolarHBondContact O-CB 3.31Å; L460-H463 PolarHBondContact O-N 3.48Å; G461-H463 PolarHBondContact O-N 3.02Å; H463-P465 VanDerWaalsContact C-CD 3.45Å; H463-P465 WeakPolarHBondContact O-CD 3.3Å
464L94.3Very high92.6Very high7 Ų747.3 Ų47.34%0.03726%0.255CS..SBendtrans-115.373.1-178.2-65.9169.2000110.4R444 L445 V446 G461 Q462 G466 V467 F469R444-L464 HydrophobicContact CB-CD2 4.34Å; L445-L464 WeakPolarHBondContact O-CD2 3.4Å; V446-L464 HydrophobicContact CG2-CD1 3.83Å; G461-L464 PolarHBondContact O-N 3.09Å; G461-L464 VanDerWaalsContact O-N 3.15Å; Q462-L464 VanDerWaalsContact C-N 3.29Å; L464-G466 PolarHBondContact O-N 3.28Å; L464-V467 HydrophobicContact CB-CB 3.98Å; L464-V467 HydrophobicContact CB-CG2 3.93Å; L464-V467 WeakPolarHBondContact O-CB 3.38Å; L464-V467 PolarHBondContact O-N 2.84Å; L464-F469 HydrophobicContact CD1-CE2 4.09Å; L464-F469 HydrophobicContact CD1-CZ 3.96Å
465P90.9Very high92.5Very high76 Ų7645.3 Ų45.349%0.49424%0.239SC..THydrogen-bonded Turntrans-62128.7-171.623.5-33.1000111.9R444 H463 V467 R497R444-P465 PolarHBondContact NE-O 3.07Å; H463-P465 VanDerWaalsContact C-CD 3.45Å; H463-P465 WeakPolarHBondContact O-CD 3.3Å; P465-V467 VanDerWaalsContact C-N 3.31Å; P465-R497 PolarHBondContact O-NH2 3.1Å
466G91.1Very high92Very high40 Ų4045.7 Ų45.741%0.41224%0.244SC..THydrogen-bonded Turntrans794.4-177.700000114.7L464 H468 R497L464-G466 PolarHBondContact O-N 3.28Å; G466-H468 PolarHBondContact O-CD2 3.44Å; G466-R497 PolarHBondContact O-NH1 2.76Å
467V95.6Very high91.3Very high13 Ų1351 Ų518%0.07928%0.277CS..  trans-90.6125.9171.3-176.60000108.4L418 R444 V446 L464 P465 F469 F490 N494L418-V467 HydrophobicContact CD1-CG1 4.22Å; L418-V467 HydrophobicContact CD1-CG2 3.79Å; R444-V467 HydrophobicContact CB-CG2 3.9Å; R444-V467 HydrophobicContact CG-CG2 3.82Å; V446-V467 HydrophobicContact CG2-CG1 4.47Å; L464-V467 HydrophobicContact CB-CB 3.98Å; L464-V467 HydrophobicContact CB-CG2 3.93Å; L464-V467 WeakPolarHBondContact O-CB 3.38Å; L464-V467 PolarHBondContact O-N 2.84Å; P465-V467 VanDerWaalsContact C-N 3.31Å; V467-F469 HydrophobicContact CB-CE2 4.29Å; V467-F469 HydrophobicContact CG1-CD2 4.32Å; V467-F469 HydrophobicContact CG1-CE2 3.7Å; V467-F469 HydrophobicContact CG1-CZ 3.84Å; V467-F490 HydrophobicContact CG1-CE2 4.02Å; V467-F490 HydrophobicContact CG1-CZ 4.02Å; V467-N494 WeakPolarHBondContact CA-OD1 3.34Å
468H95.1Very high90.6Very high111 Ų11154.8 Ų54.851%0.51429%0.294SS..  trans-108.9116.1-176.1-62.7-73.2000110.7G466 H493 N494G466-H468 PolarHBondContact O-CD2 3.44Å; H468-H493 HydrophobicContact CB-CB 4.2Å; H468-N494 PolarHBondContact N-OD1 2.98Å; H468-N494 PolarHBondContact O-ND2 3.47Å
469F94.8Very high89.7Confident33 Ų3351.6 Ų51.615%0.14528%0.276CS..  trans-96.9119.2174.9-64.2-88.2000109.8V446 M451 Y456 V457 L464 V467 G471 F485 F490V446-F469 HydrophobicContact CG1-CE1 4.26Å; V446-F469 HydrophobicContact CG1-CZ 4.31Å; V446-F469 HydrophobicContact CG2-CZ 4.34Å; M451-F469 HydrophobicContact CE-CD1 4.2Å; M451-F469 HydrophobicContact CE-CE1 3.93Å; M451-F469 HydrophobicContact CG-CE1 4.09Å; M451-F469 HydrophobicContact SD-CE1 4.23Å; Y456-F469 HydrophobicContact CE1-CE1 4.48Å; Y456-F469 HydrophobicContact CE1-CZ 4.36Å; V457-F469 HydrophobicContact CG1-CB 3.49Å; V457-F469 VanDerWaalsContact CG1-CB 3.49Å; V457-F469 HydrophobicContact CG1-CD1 4.26Å; V457-F469 HydrophobicContact CG1-CD2 4.07Å; V457-F469 HydrophobicContact CG1-CG 3.69Å; V457-F469 HydrophobicContact CG2-CD1 4.06Å; V457-F469 HydrophobicContact CG2-CG 4.34Å; L464-F469 HydrophobicContact CD1-CE2 4.09Å; L464-F469 HydrophobicContact CD1-CZ 3.96Å; V467-F469 HydrophobicContact CB-CE2 4.29Å; V467-F469 HydrophobicContact CG1-CD2 4.32Å; V467-F469 HydrophobicContact CG1-CE2 3.7Å; V467-F469 HydrophobicContact CG1-CZ 3.84Å; F469-G471 PolarHBondContact O-N 3.25Å; F469-F485 HydrophobicContact CB-CE1 4.33Å; F469-F485 HydrophobicContact CD1-CE1 4.35Å; F469-F485 AromaticContact CD1-CZ 3.87Å; F469-F485 HydrophobicContact CD1-CZ 3.87Å; F469-F490 AromaticContact CD1-CD2 3.89Å; F469-F490 HydrophobicContact CD1-CD2 3.89Å; F469-F490 AromaticContact CD1-CE2 3.51Å; F469-F490 HydrophobicContact CD1-CE2 3.51Å; F469-F490 HydrophobicContact CE1-CD2 4.24Å; F469-F490 AromaticContact CE1-CE2 3.47Å; F469-F490 HydrophobicContact CE1-CE2 3.47Å; F469-F490 VanDerWaalsContact CE1-CE2 3.47Å; F469-F490 HydrophobicContact CE1-CZ 4.15Å; F469-F490 HydrophobicContact CG-CE2 4.21Å; F469-F490 HydrophobicContact CZ-CE2 4.15Å
470P92.8Very high88.9Confident33 Ų3359.2 Ų59.221%0.21431%0.311CS..SBendtrans-84.842.8-175.730.5-29.2000113.3F485 R489P470-F485 HydrophobicContact CB-CB 4.38Å; P470-F485 HydrophobicContact CG-CB 3.74Å; P470-F485 HydrophobicContact CG-CD1 4.48Å; P470-F485 HydrophobicContact CG-CD2 4.19Å; P470-F485 HydrophobicContact CG-CG 3.91Å; P470-R489 HydrophobicContact CG-CB 3.89Å
471G91.9Very high88.2Confident25 Ų2563.4 Ų63.426%0.25833%0.331SS..SBendtrans163.3-169.1-179.400000111.6V457 F469V457-G471 WeakPolarHBondContact CG1-O 3.42Å; F469-G471 PolarHBondContact O-N 3.25Å
472R91.4Very high87.5Confident151 Ų15171.5 Ų71.557%0.5736%0.362SS*.SBendtrans-94.4-24.6-179.7-65.9-173.7177.2-165.8-3.2113.9S454 V457 D483S454-R472 WeakPolarHBondContact CA-O 3.44Å; V457-R472 VanDerWaalsContact CB-O 3.27Å; V457-R472 WeakPolarHBondContact CB-O 3.32Å; V457-R472 VanDerWaalsContact CG2-O 3.3Å; V457-R472 WeakPolarHBondContact CG2-O 3.39Å; R472-D483 HydrophobicContact CB-CB 4.24Å; R472-D483 WeakPolarHBondContact CB-O 3.33Å; R472-D483 HydrophobicContact CG-CB 4.05Å; R472-D483 PolarHBondContact N-O 3.49Å
473R92.7Very high87.2Confident91 Ų9169.6 Ų69.634%0.34336%0.356SS..EExtended strand (participates in β ladder)trans-151.7151.8174.567.2177.5-173.9-177.23.2111M451 D475 D483 T484 F485M451-R473 WeakPolarHBondContact O-CA 3.25Å; R473-D475 IonicContact CZ-OD2 3.98Å; R473-D475 IonicContact NH2-OD2 3.55Å; R473-D483 PolarHBondContact N-O 3.31Å; R473-T484 HydrophobicContact CG-CG2 4.12Å; R473-T484 WeakPolarHBondContact O-CA 3.3Å; R473-F485 VanDerWaalsContact O-CD1 3.23Å; R473-F485 WeakPolarHBondContact O-CD1 3.33Å; R473-F485 WeakPolarHBondContact O-CE1 3.41Å; R473-F485 PolarHBondContact O-N 3.01Å; R473-F485 VanDerWaalsContact O-N 3.09Å
474W92.3Very high87.1Confident4 Ų467.9 Ų67.92%0.01535%0.348CS..EExtended strand (participates in β ladder)trans-77.3124.1165.8179.527.8000108.9Q448 M451 T452 P476 F485 L487 D509Q448-W474 HydrophobicContact CB-CZ3 3.9Å; Q448-W474 HydrophobicContact CG-CZ3 4.42Å; Q448-W474 VanDerWaalsContact O-CE3 3.22Å; Q448-W474 VanDerWaalsContact O-CZ3 3.23Å; Q448-W474 WeakPolarHBondContact O-CZ3 3.08Å; M451-W474 HydrophobicContact CB-CB 3.98Å; M451-W474 HydrophobicContact CB-CE3 4.18Å; M451-W474 HydrophobicContact CE-CB 4.3Å; M451-W474 PolarHBondContact O-N 3.38Å; T452-W474 VanDerWaalsContact CA-O 3.31Å; T452-W474 WeakPolarHBondContact CA-O 3.3Å; T452-W474 HydrophobicContact CG2-CE3 4.22Å; W474-P476 HydrophobicContact CZ2-CB 4.45Å; W474-F485 HydrophobicContact CB-CD2 4.25Å; W474-F485 HydrophobicContact CB-CE1 4.44Å; W474-F485 HydrophobicContact CB-CE2 3.6Å; W474-F485 HydrophobicContact CB-CZ 3.7Å; W474-F485 VanDerWaalsContact CD1-O 3.29Å; W474-F485 HydrophobicContact CG-CE2 4.1Å; W474-L487 HydrophobicContact CZ2-CB 4.27Å; W474-L487 HydrophobicContact CZ2-CD2 4.48Å; W474-D509 HydrophobicContact CZ2-CB 3.96Å; W474-D509 PolarHBondContact NE1-OD2 3.47Å
475D88.1Confident87Confident24 Ų2467.5 Ų67.513%0.12835%0.347CS..  trans-118.6108.2170.9-163.6-46.1000108.5R473 V477 Q478 S479 T484 F485R473-D475 IonicContact CZ-OD2 3.98Å; R473-D475 IonicContact NH2-OD2 3.55Å; D475-V477 PolarHBondContact O-N 3.29Å; D475-V477 PolarHBondContact OD1-N 2.94Å; D475-Q478 PolarHBondContact OD1-N 3.42Å; D475-S479 WeakPolarHBondContact O-CB 3.27Å; D475-S479 PolarHBondContact O-N 3Å; D475-T484 HydrophobicContact CB-CG2 4.02Å; D475-F485 PolarHBondContact N-O 3.46Å
476P81.4Confident87.1Confident31 Ų3164.1 Ų64.120%0.20133%0.325CS..SBendtrans-67.7-22.5-176.226.3-32.8000112.4W474 D509W474-P476 HydrophobicContact CZ2-CB 4.45Å; P476-D509 HydrophobicContact CB-CB 3.77Å
477V81Confident87.2Confident118 Ų11862.4 Ų62.472%0.71531%0.306SS*.SBendtrans-101.5-44.7-175.4-176.10000111.5D475D475-V477 PolarHBondContact O-N 3.29Å; D475-V477 PolarHBondContact OD1-N 2.94Å
478Q77.6Confident87.1Confident97 Ų9763.8 Ų63.845%0.45331%0.311SS..  trans-114.445.2-171.9-67.1179.8-19.700112.4D475 E480 E481 T484D475-Q478 PolarHBondContact OD1-N 3.42Å; Q478-E480 PolarHBondContact O-N 3.08Å; Q478-E481 HydrophobicContact CB-CG 4.06Å; Q478-E481 WeakPolarHBondContact O-CB 3.45Å; Q478-E481 PolarHBondContact O-N 3.07Å; Q478-E481 VanDerWaalsContact O-N 3.07Å; Q478-E481 PolarHBondContact OE1-OE1 2.63Å; Q478-E481 VanDerWaalsContact OE1-OE1 3.11Å; Q478-T484 PolarHBondContact O-OG1 3.41Å; Q478-T484 VanDerWaalsContact O-OG1 3.11Å
479S73.7Confident87.1Confident26 Ų2664.2 Ų64.218%0.18231%0.309CS..THydrogen-bonded Turntrans-64.3-9.5-17563.80000116.7D475 T484D475-S479 WeakPolarHBondContact O-CB 3.27Å; D475-S479 PolarHBondContact O-N 3Å; S479-T484 PolarHBondContact O-OG1 2.73Å
480E73.3Confident87.1Confident178 Ų17862.7 Ų62.783%0.83230%0.302SS*.THydrogen-bonded Turntrans-91.4-8.7176.4-63.6-172.5173.400112.9Q478Q478-E480 PolarHBondContact O-N 3.08Å
481E78.8Confident87.2Confident92 Ų9261.3 Ų61.343%0.4329%0.293SS..SBendtrans-66.3150.2175.4-74.7-168.817000111.8Q478 D483 T484Q478-E481 HydrophobicContact CB-CG 4.06Å; Q478-E481 WeakPolarHBondContact O-CB 3.45Å; Q478-E481 PolarHBondContact O-N 3.07Å; Q478-E481 VanDerWaalsContact O-N 3.07Å; Q478-E481 PolarHBondContact OE1-OE1 2.63Å; Q478-E481 VanDerWaalsContact OE1-OE1 3.11Å; E481-D483 PolarHBondContact O-N 2.88Å; E481-T484 HydrophobicContact CB-CG2 4.04Å; E481-T484 PolarHBondContact N-OG1 2.93Å; E481-T484 PolarHBondContact O-N 3.45Å; E481-T484 VanDerWaalsContact O-N 3.13Å; E481-T484 PolarHBondContact O-OG1 3.2Å
482K76.2Confident87.3Confident185 Ų18563.1 Ų63.180%0.80430%0.302SS*.THydrogen-bonded Turntrans-56.7137.1177.6-170.4179.3177.2-177.90110.2T484K482-T484 PolarHBondContact O-N 3.4Å
483D83.7Confident87.5Confident82 Ų8260.6 Ų60.644%0.43930%0.296SS..THydrogen-bonded Turntrans66.911.2-178.8-55.4-45.7000115.6R472 R473 E481R472-D483 HydrophobicContact CB-CB 4.24Å; R472-D483 WeakPolarHBondContact CB-O 3.33Å; R472-D483 HydrophobicContact CG-CB 4.05Å; R472-D483 PolarHBondContact N-O 3.49Å; R473-D483 PolarHBondContact N-O 3.31Å; E481-D483 PolarHBondContact O-N 2.88Å
484T91.8Very high87.6Confident8 Ų856.5 Ų56.55%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-107.2164.1170.772.10000111.8R473 D475 Q478 S479 E481 K482R473-T484 HydrophobicContact CG-CG2 4.12Å; R473-T484 WeakPolarHBondContact O-CA 3.3Å; D475-T484 HydrophobicContact CB-CG2 4.02Å; Q478-T484 PolarHBondContact O-OG1 3.41Å; Q478-T484 VanDerWaalsContact O-OG1 3.11Å; S479-T484 PolarHBondContact O-OG1 2.73Å; E481-T484 HydrophobicContact CB-CG2 4.04Å; E481-T484 PolarHBondContact N-OG1 2.93Å; E481-T484 PolarHBondContact O-N 3.45Å; E481-T484 VanDerWaalsContact O-N 3.13Å; E481-T484 PolarHBondContact O-OG1 3.2Å; K482-T484 PolarHBondContact O-N 3.4Å
485F93.1Very high87.6Confident0 Ų061 Ų610%031%0.31CS..EExtended strand (participates in β ladder)trans-139.7160.2171.360.6-92.8000112.4M451 V457 F469 P470 R473 W474 D475 F490M451-F485 HydrophobicContact CE-CE2 3.5Å; M451-F485 HydrophobicContact CE-CZ 3.61Å; V457-F485 HydrophobicContact CG2-CE1 4.26Å; F469-F485 HydrophobicContact CB-CE1 4.33Å; F469-F485 HydrophobicContact CD1-CE1 4.35Å; F469-F485 AromaticContact CD1-CZ 3.87Å; F469-F485 HydrophobicContact CD1-CZ 3.87Å; P470-F485 HydrophobicContact CB-CB 4.38Å; P470-F485 HydrophobicContact CG-CB 3.74Å; P470-F485 HydrophobicContact CG-CD1 4.48Å; P470-F485 HydrophobicContact CG-CD2 4.19Å; P470-F485 HydrophobicContact CG-CG 3.91Å; R473-F485 VanDerWaalsContact O-CD1 3.23Å; R473-F485 WeakPolarHBondContact O-CD1 3.33Å; R473-F485 WeakPolarHBondContact O-CE1 3.41Å; R473-F485 PolarHBondContact O-N 3.01Å; R473-F485 VanDerWaalsContact O-N 3.09Å; W474-F485 HydrophobicContact CB-CD2 4.25Å; W474-F485 HydrophobicContact CB-CE1 4.44Å; W474-F485 HydrophobicContact CB-CE2 3.6Å; W474-F485 HydrophobicContact CB-CZ 3.7Å; W474-F485 VanDerWaalsContact CD1-O 3.29Å; W474-F485 HydrophobicContact CG-CE2 4.1Å; D475-F485 PolarHBondContact N-O 3.46Å; F485-F490 HydrophobicContact CD2-CB 3.93Å; F485-F490 HydrophobicContact CE2-CB 3.89Å; F485-F490 HydrophobicContact CE2-CD2 4.1Å; F485-F490 HydrophobicContact CE2-CG 4.24Å
486S93.3Very high87.8Confident5 Ų568.1 Ų68.14%0.03534%0.343CS..  trans-95.2161.2169.969.50000111.6E488 R489 F490 S511S486-E488 VanDerWaalsContact C-N 3.28Å; S486-E488 PolarHBondContact O-N 3.27Å; S486-R489 PolarHBondContact O-N 3.43Å; S486-R489 VanDerWaalsContact O-N 3.17Å; S486-R489 PolarHBondContact OG-N 3.04Å; S486-F490 PolarHBondContact O-N 3.38Å; S486-S511 WeakPolarHBondContact CB-OG 3.27Å
487L93.6Very high88.3Confident4 Ų468.4 Ų68.42%0.02134%0.34CS..Hα-helixtrans-60.5-39175.7-176.656.8000111.5L420 W474 R489 F490 L491 L505 D509 W512L420-L487 HydrophobicContact CD1-CD1 4.13Å; W474-L487 HydrophobicContact CZ2-CB 4.27Å; W474-L487 HydrophobicContact CZ2-CD2 4.48Å; L487-R489 VanDerWaalsContact C-N 3.34Å; L487-R489 PolarHBondContact O-N 2.9Å; L487-F490 HydrophobicContact CD1-CD1 4.15Å; L487-F490 WeakPolarHBondContact O-CB 3.49Å; L487-F490 PolarHBondContact O-N 3.48Å; L487-L491 HydrophobicContact CD1-CD2 4.48Å; L487-L491 HydrophobicContact CD1-CG 4.2Å; L487-L491 HydrophobicContact CG-CD1 4.2Å; L487-L491 HydrophobicContact CG-CG 4.35Å; L487-L491 VanDerWaalsContact O-CG 3.31Å; L487-L491 WeakPolarHBondContact O-CG 3.46Å; L487-L491 PolarHBondContact O-N 3.26Å; L487-L505 HydrophobicContact CD2-CD1 3.79Å; L487-L505 HydrophobicContact CD2-CD2 3.79Å; L487-L505 HydrophobicContact CD2-CG 4.35Å; L487-D509 WeakPolarHBondContact CB-OD2 3.46Å; L487-D509 PolarHBondContact N-OD2 3.28Å; L487-W512 HydrophobicContact CB-CB 4.47Å; L487-W512 HydrophobicContact CD2-CB 4.26Å; L487-W512 HydrophobicContact CD2-CG 3.97Å; L487-W512 HydrophobicContact CG-CB 4.19Å; L487-W512 HydrophobicContact CG-CG 4.43Å
488E93.4Very high89Confident41 Ų4165.1 Ų65.119%0.19232%0.319CS..Hα-helixtrans-55.8-47173.7-177.8-178.8-151.500112.4S486 F490 L491 S492 S511 S515S486-E488 VanDerWaalsContact C-N 3.28Å; S486-E488 PolarHBondContact O-N 3.27Å; E488-F490 VanDerWaalsContact C-N 3.34Å; E488-L491 PolarHBondContact O-N 3.41Å; E488-S492 WeakPolarHBondContact O-CB 3.18Å; E488-S492 PolarHBondContact O-N 3.15Å; E488-S492 PolarHBondContact O-OG 2.9Å; E488-S511 WeakPolarHBondContact CB-OG 3.34Å; E488-S511 PolarHBondContact N-OG 3.05Å; E488-S515 WeakPolarHBondContact OE1-CB 3.41Å; E488-S515 PolarHBondContact OE1-OG 3.45Å
489R94.1Very high89.9Confident121 Ų12160.9 Ų60.946%0.45730%0.299SS..Hα-helixtrans-63.3-43.2177.4-74.7-175.6-179.1167.94.8110.6P470 S486 L487 S492 H493P470-R489 HydrophobicContact CG-CB 3.89Å; S486-R489 PolarHBondContact O-N 3.43Å; S486-R489 VanDerWaalsContact O-N 3.17Å; S486-R489 PolarHBondContact OG-N 3.04Å; L487-R489 VanDerWaalsContact C-N 3.34Å; L487-R489 PolarHBondContact O-N 2.9Å; R489-S492 PolarHBondContact O-N 3.04Å; R489-H493 PolarHBondContact O-N 3.47Å; R489-H493 PolarHBondContact O-ND1 3.37Å
490F95.2Very high91.1Very high0 Ų059.6 Ų59.60%029%0.29CS..Hα-helixtrans-58.7-49.5177.8176.9-100.3000111.9L418 L420 M451 V467 F469 F485 S486 L487 E488 S492 H493 N494L418-F490 HydrophobicContact CD2-CE1 3.78Å; L418-F490 HydrophobicContact CD2-CZ 3.79Å; L420-F490 HydrophobicContact CD2-CE1 3.96Å; M451-F490 HydrophobicContact CE-CD1 4.35Å; M451-F490 HydrophobicContact CE-CD2 3.96Å; M451-F490 HydrophobicContact CE-CE1 4.43Å; M451-F490 HydrophobicContact CE-CE2 4.04Å; M451-F490 HydrophobicContact CE-CG 4.1Å; M451-F490 HydrophobicContact CE-CZ 4.25Å; V467-F490 HydrophobicContact CG1-CE2 4.02Å; V467-F490 HydrophobicContact CG1-CZ 4.02Å; F469-F490 AromaticContact CD1-CD2 3.89Å; F469-F490 HydrophobicContact CD1-CD2 3.89Å; F469-F490 AromaticContact CD1-CE2 3.51Å; F469-F490 HydrophobicContact CD1-CE2 3.51Å; F469-F490 HydrophobicContact CE1-CD2 4.24Å; F469-F490 AromaticContact CE1-CE2 3.47Å; F469-F490 HydrophobicContact CE1-CE2 3.47Å; F469-F490 VanDerWaalsContact CE1-CE2 3.47Å; F469-F490 HydrophobicContact CE1-CZ 4.15Å; F469-F490 HydrophobicContact CG-CE2 4.21Å; F469-F490 HydrophobicContact CZ-CE2 4.15Å; F485-F490 HydrophobicContact CD2-CB 3.93Å; F485-F490 HydrophobicContact CE2-CB 3.89Å; F485-F490 HydrophobicContact CE2-CD2 4.1Å; F485-F490 HydrophobicContact CE2-CG 4.24Å; S486-F490 PolarHBondContact O-N 3.38Å; L487-F490 HydrophobicContact CD1-CD1 4.15Å; L487-F490 WeakPolarHBondContact O-CB 3.49Å; L487-F490 PolarHBondContact O-N 3.48Å; E488-F490 VanDerWaalsContact C-N 3.34Å; F490-S492 VanDerWaalsContact C-N 3.33Å; F490-S492 PolarHBondContact O-N 2.87Å; F490-H493 PolarHBondContact O-N 2.93Å; F490-N494 PolarHBondContact O-N 2.95Å; F490-N494 PolarHBondContact O-ND2 3.3Å
491L95.4Very high92.2Very high5 Ų551.1 Ų51.13%0.02625%0.251CS..Hα-helixtrans-61-42.7177.5-63.5173.6000111.6L487 E488 H493 N494 V499 W512 F516 L527L487-L491 HydrophobicContact CD1-CD2 4.48Å; L487-L491 HydrophobicContact CD1-CG 4.2Å; L487-L491 HydrophobicContact CG-CD1 4.2Å; L487-L491 HydrophobicContact CG-CG 4.35Å; L487-L491 VanDerWaalsContact O-CG 3.31Å; L487-L491 WeakPolarHBondContact O-CG 3.46Å; L487-L491 PolarHBondContact O-N 3.26Å; E488-L491 PolarHBondContact O-N 3.41Å; L491-H493 VanDerWaalsContact C-N 3.27Å; L491-H493 PolarHBondContact O-N 3.38Å; L491-N494 CarbonylContact O-C 3.47Å; L491-N494 PolarHBondContact O-N 3.15Å; L491-N494 VanDerWaalsContact O-N 3.07Å; L491-V499 HydrophobicContact CD2-CB 3.89Å; L491-V499 HydrophobicContact CD2-CG1 3.67Å; L491-V499 HydrophobicContact CD2-CG2 3.93Å; L491-W512 HydrophobicContact CD1-CB 4.03Å; L491-F516 HydrophobicContact CB-CD1 4.45Å; L491-F516 HydrophobicContact CB-CD2 4.29Å; L491-F516 HydrophobicContact CB-CE1 3.81Å; L491-F516 HydrophobicContact CB-CE2 3.65Å; L491-F516 HydrophobicContact CB-CZ 3.39Å; L491-F516 HydrophobicContact CD1-CB 4.42Å; L491-F516 HydrophobicContact CD1-CD1 4.05Å; L491-F516 HydrophobicContact CD1-CD2 3.75Å; L491-F516 HydrophobicContact CD1-CE1 4.26Å; L491-F516 HydrophobicContact CD1-CE2 4Å; L491-F516 HydrophobicContact CD1-CG 3.81Å; L491-F516 HydrophobicContact CD1-CZ 4.25Å; L491-F516 HydrophobicContact CG-CE2 4.49Å; L491-F516 HydrophobicContact CG-CZ 4.45Å; L491-L527 HydrophobicContact CD1-CB 4.47Å; L491-L527 HydrophobicContact CD1-CD1 4.11Å; L491-L527 HydrophobicContact CD2-CB 4.45Å; L491-L527 HydrophobicContact CD2-CD1 3.8Å
492S94.1Very high93Very high63 Ų6346.8 Ų46.844%0.44123%0.23SC..Hα-helixtrans-65.8-26.5-179.7-56.40000113.7E488 R489 F490 N494E488-S492 WeakPolarHBondContact O-CB 3.18Å; E488-S492 PolarHBondContact O-N 3.15Å; E488-S492 PolarHBondContact O-OG 2.9Å; R489-S492 PolarHBondContact O-N 3.04Å; F490-S492 VanDerWaalsContact C-N 3.33Å; F490-S492 PolarHBondContact O-N 2.87Å; S492-N494 VanDerWaalsContact C-N 3.33Å
493H94.8Very high93.8Very high97 Ų9740.3 Ų40.345%0.44920%0.204SC..THydrogen-bonded Turntrans-85.2-5.5175.7-74.472.6000113.3H468 R489 F490 L491 P495H468-H493 HydrophobicContact CB-CB 4.2Å; R489-H493 PolarHBondContact O-N 3.47Å; R489-H493 PolarHBondContact O-ND1 3.37Å; F490-H493 PolarHBondContact O-N 2.93Å; L491-H493 VanDerWaalsContact C-N 3.27Å; L491-H493 PolarHBondContact O-N 3.38Å; H493-P495 WeakPolarHBondContact O-CD 3.41Å
494N95.5Very high94Very high6 Ų636.9 Ų36.93%0.03219%0.188CC..  trans-121.748.8178.3-65.3-83.4000112.4L418 V467 H468 F490 L491 S492 Q496 R497L418-N494 HydrophobicContact CD2-CB 4.35Å; V467-N494 WeakPolarHBondContact CA-OD1 3.34Å; H468-N494 PolarHBondContact N-OD1 2.98Å; H468-N494 PolarHBondContact O-ND2 3.47Å; F490-N494 PolarHBondContact O-N 2.95Å; F490-N494 PolarHBondContact O-ND2 3.3Å; L491-N494 CarbonylContact O-C 3.47Å; L491-N494 PolarHBondContact O-N 3.15Å; L491-N494 VanDerWaalsContact O-N 3.07Å; S492-N494 VanDerWaalsContact C-N 3.33Å; N494-Q496 PolarHBondContact O-N 3.29Å; N494-R497 PolarHBondContact O-N 3.17Å
495P92.7Very high93.9Very high97 Ų9737 Ų3763%0.6319%0.188SC*.THydrogen-bonded Turntrans-71.7-14.8-172.132.6-37.7000113.8H493 R497H493-P495 WeakPolarHBondContact O-CD 3.41Å; P495-R497 VanDerWaalsContact C-N 3.32Å
496Q90.8Very high93.3Very high175 Ų17538.8 Ų38.882%0.81820%0.199SC*.THydrogen-bonded Turntrans-79.6-14.4-175.9-58.6-60.9-30.300113.1N494N494-Q496 PolarHBondContact O-N 3.29Å
497R92.1Very high92.2Very high36 Ų3645 Ų4514%0.13623%0.232CC..SBendtrans-121.6143.6-176.7-65.4-165.7-179.2102.80.5111.5D416 L418 P465 G466 N494 P495 V499D416-R497 VanDerWaalsContact O-CD 3.27Å; D416-R497 WeakPolarHBondContact O-CD 3.42Å; D416-R497 VanDerWaalsContact O-CG 3.3Å; D416-R497 WeakPolarHBondContact O-CG 3.48Å; D416-R497 IonicContact OD1-CZ 3.42Å; D416-R497 IonicContact OD1-NE 3.27Å; D416-R497 PolarHBondContact OD1-NE 3.44Å; D416-R497 IonicContact OD1-NH2 3.88Å; D416-R497 IonicContact OD2-NE 2.71Å; L418-R497 HydrophobicContact CB-CB 4.36Å; P465-R497 PolarHBondContact O-NH2 3.1Å; G466-R497 PolarHBondContact O-NH1 2.76Å; N494-R497 PolarHBondContact O-N 3.17Å; P495-R497 VanDerWaalsContact C-N 3.32Å; R497-V499 PolarHBondContact O-N 2.83Å
498D95.8Very high91.5Very high50 Ų5047 Ų4727%0.26725%0.254SS..  trans-70.2125.8167.4-74.6-21.4000109.2S417 L418 F500 Y526 R532S417-D498 WeakPolarHBondContact CA-O 3.28Å; L418-D498 PolarHBondContact N-O 2.73Å; D498-F500 HydrophobicContact CB-CD2 4.48Å; D498-F500 HydrophobicContact CB-CE2 3.5Å; D498-F500 VanDerWaalsContact CB-CE2 3.5Å; D498-F500 HydrophobicContact CB-CZ 3.85Å; D498-Y526 HydrophobicContact CB-CD2 4.44Å; D498-Y526 HydrophobicContact CB-CE2 3.59Å; D498-Y526 VanDerWaalsContact CG-OH 3.22Å; D498-Y526 PolarHBondContact OD1-OH 2.72Å; D498-R532 IonicContact OD1-NH1 2.68Å
499V97.4Very high91.1Very high7 Ų745.4 Ų45.44%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-104.5127.1-178-168.20000110.4L418 L420 L491 R497 Y526 L527L418-V499 HydrophobicContact CB-CG1 4.38Å; L418-V499 HydrophobicContact CB-CG2 4.22Å; L418-V499 HydrophobicContact CD2-CG1 4.11Å; L418-V499 HydrophobicContact CD2-CG2 3.96Å; L418-V499 HydrophobicContact CG-CG1 4.25Å; L418-V499 CarbonylContact O-C 3.57Å; L418-V499 VanDerWaalsContact O-CA 3.29Å; L418-V499 WeakPolarHBondContact O-CA 3.07Å; L420-V499 HydrophobicContact CD1-CG1 3.97Å; L420-V499 HydrophobicContact CD2-CG1 4.48Å; L420-V499 HydrophobicContact CG-CG1 3.9Å; L491-V499 HydrophobicContact CD2-CB 3.89Å; L491-V499 HydrophobicContact CD2-CG1 3.67Å; L491-V499 HydrophobicContact CD2-CG2 3.93Å; R497-V499 PolarHBondContact O-N 2.83Å; V499-Y526 WeakPolarHBondContact O-CD2 3.28Å; V499-L527 HydrophobicContact CB-CB 4.42Å; V499-L527 HydrophobicContact CG1-CD1 4.11Å; V499-L527 PolarHBondContact O-N 2.88Å
500F97.6Very high90.8Very high0 Ų043.6 Ų43.60%025%0.25CS..EExtended strand (participates in β ladder)trans-120.5141.9179.3-58.8-90.9000110.6F413 P414 S417 L418 I419 L420 D498 L521 D525 Y526F413-F500 HydrophobicContact CD1-CB 4.21Å; F413-F500 HydrophobicContact CD1-CD1 4.3Å; F413-F500 HydrophobicContact CD1-CD2 4.04Å; F413-F500 AromaticContact CD1-CG 3.91Å; F413-F500 HydrophobicContact CD1-CG 3.91Å; F413-F500 HydrophobicContact CE1-CB 3.93Å; F413-F500 HydrophobicContact CE1-CG 4.09Å; P414-F500 VanDerWaalsContact CD-CZ 3.46Å; P414-F500 HydrophobicContact CG-CE2 4.23Å; P414-F500 HydrophobicContact CG-CZ 3.82Å; S417-F500 WeakPolarHBondContact OG-CE2 3.49Å; L418-F500 PolarHBondContact O-N 3.38Å; I419-F500 CarbonylContact C-O 3.54Å; I419-F500 WeakPolarHBondContact CA-O 3.43Å; I419-F500 HydrophobicContact CD1-CB 3.95Å; I419-F500 HydrophobicContact CD1-CD2 3.79Å; I419-F500 HydrophobicContact CD1-CG 4.23Å; L420-F500 PolarHBondContact N-O 3.09Å; D498-F500 HydrophobicContact CB-CD2 4.48Å; D498-F500 HydrophobicContact CB-CE2 3.5Å; D498-F500 VanDerWaalsContact CB-CE2 3.5Å; D498-F500 HydrophobicContact CB-CZ 3.85Å; F500-L521 HydrophobicContact CD1-CD2 3.71Å; F500-L521 HydrophobicContact CE1-CD2 3.48Å; F500-L521 VanDerWaalsContact CE1-CD2 3.48Å; F500-L521 HydrophobicContact CZ-CD2 4.37Å; F500-D525 CarbonylContact C-O 3.59Å; F500-D525 WeakPolarHBondContact CA-O 3Å; F500-Y526 AromaticContact CD1-CD2 3.86Å; F500-Y526 HydrophobicContact CD1-CD2 3.86Å; F500-Y526 HydrophobicContact CD1-CG 4.13Å; F500-Y526 HydrophobicContact CE1-CD1 4.48Å; F500-Y526 AromaticContact CE1-CD2 3.38Å; F500-Y526 HydrophobicContact CE1-CD2 3.38Å; F500-Y526 HydrophobicContact CE1-CE2 4.26Å; F500-Y526 AromaticContact CE1-CG 3.56Å; F500-Y526 HydrophobicContact CE1-CG 3.56Å; F500-Y526 HydrophobicContact CE2-CD2 4.23Å; F500-Y526 HydrophobicContact CG-CD2 4.45Å; F500-Y526 AromaticContact CZ-CD2 3.59Å; F500-Y526 HydrophobicContact CZ-CD2 3.59Å; F500-Y526 HydrophobicContact CZ-CE2 4.01Å; F500-Y526 HydrophobicContact CZ-CG 4.11Å
501A96.9Very high90.6Very high0 Ų044.2 Ų44.20%026%0.255CS..EExtended strand (participates in β ladder)trans-116.9119.8176.100000110.9L420 L505 C524 D525 L527L420-A501 HydrophobicContact CB-CB 4.24Å; L420-A501 WeakPolarHBondContact O-CA 3.39Å; A501-L505 HydrophobicContact CB-CD2 3.55Å; A501-L505 HydrophobicContact CB-CG 3.95Å; A501-C524 CarbonylContact O-C 3.44Å; A501-C524 WeakPolarHBondContact O-CA 3.41Å; A501-C524 WeakPolarHBondContact O-CB 3.49Å; A501-D525 PolarHBondContact N-O 3.11Å; A501-D525 PolarHBondContact O-N 3.39Å; A501-L527 HydrophobicContact CB-CD1 4.36Å
502C96.4Very high90.4Very high0 Ų045.1 Ų45.10%026%0.258CS..EExtended strand (participates in β ladder)trans-95.2133-176.6-64.10000112L420 P426 G504 C524L420-C502 PolarHBondContact O-N 2.79Å; P426-C502 HydrophobicContact CB-CB 4.21Å; C502-G504 PolarHBondContact O-N 2.82Å; C502-C524 WeakPolarHBondContact CA-SG 3.4Å; C502-C524 HydrophobicContact CB-CB 4Å; C502-C524 WeakPolarHBondContact CB-SG 3.46Å; C502-C524 WeakPolarHBondContact SG-CB 3.46Å; C502-C524 CovalentContact SG-SG 2.05Å; C502-C524 PolarHBondContact SG-SG 2.94Å
503I92Very high90.3Very high49 Ų4947.9 Ų47.925%0.25126%0.264SS..THydrogen-bonded Turntrans57.235.6-173.7-45-174.5000111P426 V523 E568P426-I503 HydrophobicContact CB-CD1 4.47Å; P426-I503 VanDerWaalsContact CD-CD1 3.5Å; P426-I503 HydrophobicContact CG-CD1 3.66Å; P426-I503 HydrophobicContact CG-CG1 4.03Å; I503-V523 HydrophobicContact CG1-CG1 3.82Å; I503-V523 PolarHBondContact N-O 3.14Å; I503-E568 HydrophobicContact CD1-CG 4.14Å
504G89.1Confident90.1Very high10 Ų1052.7 Ų52.710%0.10328%0.278CS..  trans79.3-173.6175.100000115.3Q448 C502Q448-G504 PolarHBondContact NE2-O 2.77Å; C502-G504 PolarHBondContact O-N 2.82Å
505L89.2Confident90.1Very high11 Ų1154.1 Ų54.16%0.05829%0.288CS..  trans-105.9149.9177.6-70.6172.9000110L420 R422 L487 A501 D507 W512 L527L420-L505 HydrophobicContact CD1-CD2 4.17Å; R422-L505 PolarHBondContact NH1-O 3.09Å; L487-L505 HydrophobicContact CD2-CD1 3.79Å; L487-L505 HydrophobicContact CD2-CD2 3.79Å; L487-L505 HydrophobicContact CD2-CG 4.35Å; A501-L505 HydrophobicContact CB-CD2 3.55Å; A501-L505 HydrophobicContact CB-CG 3.95Å; L505-D507 PolarHBondContact O-N 2.98Å; L505-W512 HydrophobicContact CD1-CD2 3.98Å; L505-W512 HydrophobicContact CD1-CG 4.38Å; L505-W512 HydrophobicContact CD1-CZ2 3.93Å; L505-L527 HydrophobicContact CD1-CD1 4.43Å; L505-L527 HydrophobicContact CD1-CD2 3.92Å; L505-L527 HydrophobicContact CD2-CD1 4.33Å
506T79.9Confident90.2Very high37 Ų3750.5 Ų50.523%0.22726%0.263CS..  trans-60.2134.5175-51.20000111.2
507D70.5Confident90.3Very high136 Ų13643.6 Ų43.673%0.72723%0.234SC*.THydrogen-bonded Turntrans-67.3132.1174-53.6-62.8000109.4R422 L505R422-D507 IonicContact NH2-OD2 2.69Å; L505-D507 PolarHBondContact O-N 2.98Å
508G78Confident90.4Very high46 Ų4646.4 Ų46.447%0.47424%0.244SC..THydrogen-bonded Turntrans133.9-23.2174.300000115.2P510G508-P510 WeakPolarHBondContact O-CD 3.24Å
509D85.8Confident90.4Very high8 Ų844.8 Ų44.84%0.04323%0.234CC..  trans-114.493.7176.8-169.2-15000111.6W474 P476 L487 S511 W512W474-D509 HydrophobicContact CZ2-CB 3.96Å; W474-D509 PolarHBondContact NE1-OD2 3.47Å; P476-D509 HydrophobicContact CB-CB 3.77Å; L487-D509 WeakPolarHBondContact CB-OD2 3.46Å; L487-D509 PolarHBondContact N-OD2 3.28Å; D509-S511 VanDerWaalsContact C-N 3.26Å; D509-S511 PolarHBondContact O-N 3.34Å; D509-S511 WeakPolarHBondContact OD1-CB 3.15Å; D509-S511 PolarHBondContact OD1-N 3.34Å; D509-S511 PolarHBondContact OD1-OG 2.89Å; D509-W512 PolarHBondContact O-NE1 2.72Å; D509-W512 VanDerWaalsContact O-NE1 3.16Å
510P88.6Confident90.4Very high82 Ų8244.7 Ų44.753%0.53223%0.234SC..  trans-83.53.8176.634.7-35.9000113.1G508 W512 E513G508-P510 WeakPolarHBondContact O-CD 3.24Å; P510-W512 VanDerWaalsContact C-N 3.27Å; P510-W512 PolarHBondContact O-N 3.01Å; P510-E513 WeakPolarHBondContact O-CB 3.48Å; P510-E513 PolarHBondContact O-N 2.96Å
511S90.6Very high90.3Very high13 Ų1344.7 Ų44.79%0.09123%0.234CC..G310 helixtrans-58.4-39.2-172.662.80000112.9S486 E488 D509 E513 R514S486-S511 WeakPolarHBondContact CB-OG 3.27Å; E488-S511 WeakPolarHBondContact CB-OG 3.34Å; E488-S511 PolarHBondContact N-OG 3.05Å; D509-S511 VanDerWaalsContact C-N 3.26Å; D509-S511 PolarHBondContact O-N 3.34Å; D509-S511 WeakPolarHBondContact OD1-CB 3.15Å; D509-S511 PolarHBondContact OD1-N 3.34Å; D509-S511 PolarHBondContact OD1-OG 2.89Å; S511-E513 PolarHBondContact O-N 2.74Å; S511-R514 PolarHBondContact O-N 2.99Å
512W91.5Very high90.2Very high24 Ų2444.9 Ų44.99%0.09124%0.236CC..G310 helixtrans-65-26.9-176.566.2-86.3000112.8L487 L491 L505 D509 P510 R514 S515 F516 R518L487-W512 HydrophobicContact CB-CB 4.47Å; L487-W512 HydrophobicContact CD2-CB 4.26Å; L487-W512 HydrophobicContact CD2-CG 3.97Å; L487-W512 HydrophobicContact CG-CB 4.19Å; L487-W512 HydrophobicContact CG-CG 4.43Å; L491-W512 HydrophobicContact CD1-CB 4.03Å; L505-W512 HydrophobicContact CD1-CD2 3.98Å; L505-W512 HydrophobicContact CD1-CG 4.38Å; L505-W512 HydrophobicContact CD1-CZ2 3.93Å; D509-W512 PolarHBondContact O-NE1 2.72Å; D509-W512 VanDerWaalsContact O-NE1 3.16Å; P510-W512 VanDerWaalsContact C-N 3.27Å; P510-W512 PolarHBondContact O-N 3.01Å; W512-R514 PolarHBondContact O-N 3.24Å; W512-R514 VanDerWaalsContact O-N 3.09Å; W512-S515 PolarHBondContact O-N 2.9Å; W512-S515 VanDerWaalsContact O-N 3.12Å; W512-F516 HydrophobicContact CE3-CB 4.23Å; W512-F516 WeakPolarHBondContact O-CB 3.47Å; W512-F516 PolarHBondContact O-N 3.41Å; W512-R518 HydrophobicContact CH2-CG 3.69Å; W512-R518 HydrophobicContact CZ3-CG 3.66Å
513E92.1Very high90.2Very high122 Ų12244.9 Ų44.957%0.5724%0.236SC*.G310 helixtrans-62.7-19.6-178.4-63.4-174.4176.400112.9P510 S511P510-E513 WeakPolarHBondContact O-CB 3.48Å; P510-E513 PolarHBondContact O-N 2.96Å; S511-E513 PolarHBondContact O-N 2.74Å
514R90.4Very high90.4Very high197 Ų19742.6 Ų42.674%0.74322%0.224SC*.G310 helixtrans-74.7-29.9178.4-61.7178.5179.9176.40.9113.3S511 W512 L530S511-R514 PolarHBondContact O-N 2.99Å; W512-R514 PolarHBondContact O-N 3.24Å; W512-R514 VanDerWaalsContact O-N 3.09Å; R514-L530 WeakPolarHBondContact O-CD1 3.41Å
515S93.9Very high90.8Very high36 Ų3642.5 Ų42.525%0.25222%0.222SC..THydrogen-bonded Turntrans-124.4-17.7-168.6-69.40000113.1E488 W512 L530E488-S515 WeakPolarHBondContact OE1-CB 3.41Å; E488-S515 PolarHBondContact OE1-OG 3.45Å; W512-S515 PolarHBondContact O-N 2.9Å; W512-S515 VanDerWaalsContact O-N 3.12Å; S515-L530 PolarHBondContact O-N 2.78Å
516F95.4Very high91.1Very high22 Ų2242.2 Ų42.210%0.09622%0.22CC..EExtended strand (participates in β ladder)trans-130153.1-176-61.8-97000111.8L491 W512 V528 P529L491-F516 HydrophobicContact CB-CD1 4.45Å; L491-F516 HydrophobicContact CB-CD2 4.29Å; L491-F516 HydrophobicContact CB-CE1 3.81Å; L491-F516 HydrophobicContact CB-CE2 3.65Å; L491-F516 HydrophobicContact CB-CZ 3.39Å; L491-F516 HydrophobicContact CD1-CB 4.42Å; L491-F516 HydrophobicContact CD1-CD1 4.05Å; L491-F516 HydrophobicContact CD1-CD2 3.75Å; L491-F516 HydrophobicContact CD1-CE1 4.26Å; L491-F516 HydrophobicContact CD1-CE2 4Å; L491-F516 HydrophobicContact CD1-CG 3.81Å; L491-F516 HydrophobicContact CD1-CZ 4.25Å; L491-F516 HydrophobicContact CG-CE2 4.49Å; L491-F516 HydrophobicContact CG-CZ 4.45Å; W512-F516 HydrophobicContact CE3-CB 4.23Å; W512-F516 WeakPolarHBondContact O-CB 3.47Å; W512-F516 PolarHBondContact O-N 3.41Å; F516-V528 CarbonylContact C-O 3.55Å; F516-V528 VanDerWaalsContact CA-O 3.24Å; F516-V528 WeakPolarHBondContact CA-O 3.26Å; F516-P529 HydrophobicContact CD1-CG 4.2Å; F516-P529 HydrophobicContact CE1-CB 4.44Å; F516-P529 HydrophobicContact CE1-CG 3.86Å
517S93.6Very high91.9Very high29 Ų2940.7 Ų40.720%0.20321%0.21CC..EExtended strand (participates in β ladder)trans-117.2158170.461.20000110.2W519 V528S517-W519 PolarHBondContact OG-NE1 3.42Å; S517-V528 PolarHBondContact N-O 2.78Å; S517-V528 PolarHBondContact O-N 2.89Å; S517-V528 PolarHBondContact OG-O 3.26Å
518R94.3Very high93.1Very high96 Ų9634.2 Ų34.236%0.36218%0.175SC..EExtended strand (participates in β ladder)trans-105.7119.5177.1-8217158.9-170.9-7.5110.3W512 D525 Y526 L527 F579W512-R518 HydrophobicContact CH2-CG 3.69Å; W512-R518 HydrophobicContact CZ3-CG 3.66Å; R518-D525 HydrophobicContact CB-CB 4.47Å; R518-D525 HydrophobicContact CG-CB 4.42Å; R518-D525 IonicContact CZ-OD2 3.63Å; R518-D525 VanDerWaalsContact CZ-OD2 3.27Å; R518-D525 IonicContact NE-OD2 3.06Å; R518-D525 PolarHBondContact NE-OD2 2.79Å; R518-D525 VanDerWaalsContact NE-OD2 3.16Å; R518-D525 IonicContact NH2-OD2 3.13Å; R518-D525 PolarHBondContact NH2-OD2 3.42Å; R518-Y526 WeakPolarHBondContact CA-O 3.47Å; R518-L527 HydrophobicContact CG-CD2 3.54Å; R518-F579 VanDerWaalsContact O-CE2 3.22Å; R518-F579 WeakPolarHBondContact O-CE2 3.26Å
519W96Very high93.9Very high15 Ų1534.4 Ų34.46%0.05717%0.169CC..EExtended strand (participates in β ladder)trans-110126.3172.8-58-4.4000109.3S517 L521 D525 Y526 V528 R532 Q533 F534 W539 F579S517-W519 PolarHBondContact OG-NE1 3.42Å; W519-L521 PolarHBondContact O-N 3.38Å; W519-D525 CarbonylContact O-C 3.54Å; W519-Y526 HydrophobicContact CE3-CD1 4.15Å; W519-Y526 HydrophobicContact CE3-CE1 4.5Å; W519-Y526 PolarHBondContact N-O 3.45Å; W519-Y526 WeakPolarHBondContact O-CB 3.34Å; W519-Y526 PolarHBondContact O-N 3.03Å; W519-V528 HydrophobicContact CB-CG2 4.4Å; W519-V528 HydrophobicContact CD2-CB 4.26Å; W519-V528 HydrophobicContact CD2-CG1 4.5Å; W519-V528 HydrophobicContact CD2-CG2 3.63Å; W519-V528 HydrophobicContact CE3-CG2 3.88Å; W519-V528 HydrophobicContact CG-CG2 3.9Å; W519-V528 HydrophobicContact CH2-CG1 3.92Å; W519-V528 HydrophobicContact CZ2-CB 4.24Å; W519-V528 HydrophobicContact CZ2-CG1 3.81Å; W519-V528 HydrophobicContact CZ2-CG2 4.42Å; W519-V528 HydrophobicContact CZ3-CG1 4.3Å; W519-V528 HydrophobicContact CZ3-CG2 4.38Å; W519-R532 HydrophobicContact CH2-CB 4.44Å; W519-R532 HydrophobicContact CH2-CG 4.16Å; W519-Q533 WeakPolarHBondContact CH2-O 3.32Å; W519-F534 AromaticContact CD2-CD2 3.54Å; W519-F534 HydrophobicContact CD2-CD2 3.54Å; W519-F534 AromaticContact CD2-CE2 3.95Å; W519-F534 HydrophobicContact CD2-CE2 3.95Å; W519-F534 AromaticContact CE2-CD2 3.51Å; W519-F534 AromaticContact CE3-CD2 3.66Å; W519-F534 HydrophobicContact CE3-CD2 3.66Å; W519-F534 HydrophobicContact CE3-CE2 4.02Å; W519-F534 HydrophobicContact CG-CD2 4.23Å; W519-F534 HydrophobicContact CG-CE2 4.3Å; W519-F534 HydrophobicContact CH2-CB 3.98Å; W519-F534 AromaticContact CH2-CD2 3.74Å; W519-F534 HydrophobicContact CH2-CD2 3.74Å; W519-F534 HydrophobicContact CH2-CG 4.37Å; W519-F534 HydrophobicContact CZ2-CB 3.62Å; W519-F534 AromaticContact CZ2-CD2 3.64Å; W519-F534 HydrophobicContact CZ2-CD2 3.64Å; W519-F534 HydrophobicContact CZ2-CG 4.07Å; W519-F534 AromaticContact CZ3-CD2 3.75Å; W519-F534 HydrophobicContact CZ3-CD2 3.75Å; W519-F534 HydrophobicContact CZ3-CE2 4.45Å; W519-W539 HydrophobicContact CB-CH2 4.45Å; W519-W539 HydrophobicContact CB-CZ2 3.8Å; W519-W539 HydrophobicContact CE3-CD2 4.16Å; W519-W539 AromaticContact CE3-CE3 3.84Å; W519-W539 HydrophobicContact CE3-CE3 3.84Å; W519-W539 HydrophobicContact CE3-CH2 4.02Å; W519-W539 HydrophobicContact CE3-CZ2 4.31Å; W519-W539 AromaticContact CE3-CZ3 3.75Å; W519-W539 HydrophobicContact CE3-CZ3 3.75Å; W519-W539 HydrophobicContact CZ3-CE3 4.23Å; W519-W539 HydrophobicContact CZ3-CZ3 4.19Å; W519-F579 AromaticContact CD1-CZ 3.71Å; W519-F579 HydrophobicContact CG-CZ 4.35Å
520P96.2Very high94.2Very high6 Ų638.6 Ų38.64%0.03919%0.19CC..EExtended strand (participates in β ladder)trans-67.9137.2-175.228.7-36.9000111.9W539 K575 F579P520-W539 PolarHBondContact O-NE1 3.47Å; P520-K575 HydrophobicContact CB-CB 3.74Å; P520-F579 VanDerWaalsContact CD-CG 3.41Å; P520-F579 HydrophobicContact CG-CB 3.52Å; P520-F579 HydrophobicContact CG-CD1 4.2Å; P520-F579 HydrophobicContact CG-CG 3.84Å
521L95.6Very high94.3Very high0 Ų042.2 Ų42.20%020%0.2CC..EExtended strand (participates in β ladder)trans-131.366.7171.2-172.271.8000108.4F413 F500 W519 V523 C524 T543 L546 Y547F413-L521 HydrophobicContact CD1-CD2 4.33Å; F500-L521 HydrophobicContact CD1-CD2 3.71Å; F500-L521 HydrophobicContact CE1-CD2 3.48Å; F500-L521 VanDerWaalsContact CE1-CD2 3.48Å; F500-L521 HydrophobicContact CZ-CD2 4.37Å; W519-L521 PolarHBondContact O-N 3.38Å; L521-V523 PolarHBondContact O-N 3.15Å; L521-C524 CarbonylContact C-O 3.45Å; L521-C524 VanDerWaalsContact CA-O 3.3Å; L521-C524 WeakPolarHBondContact CA-O 3.26Å; L521-C524 PolarHBondContact N-O 3.45Å; L521-C524 PolarHBondContact O-N 2.83Å; L521-C524 VanDerWaalsContact O-O 3.05Å; L521-T543 HydrophobicContact CD1-CG2 4.11Å; L521-L546 HydrophobicContact CD1-CD1 3.74Å; L521-L546 HydrophobicContact CD1-CD2 4.07Å; L521-L546 HydrophobicContact CG-CD1 4.3Å; L521-L546 HydrophobicContact CG-CD2 3.94Å; L521-L546 WeakPolarHBondContact O-CD2 3.42Å; L521-Y547 PolarHBondContact O-OH 2.78Å
522G95.1Very high94.4Very high4 Ų447.7 Ų47.74%0.04122%0.219CC..THydrogen-bonded Turntrans67.8-117.9-179.400000113.2C524 A572 K575G522-C524 PolarHBondContact O-N 2.85Å; G522-A572 VanDerWaalsContact C-CB 3.4Å; G522-K575 WeakPolarHBondContact O-CD 3.37Å; G522-K575 VanDerWaalsContact O-CE 3.25Å; G522-K575 WeakPolarHBondContact O-CE 3.36Å; G522-K575 PolarHBondContact O-NZ 2.92Å
523V96.3Very high94.5Very high0 Ų053.8 Ų53.80%025%0.249CC..THydrogen-bonded Turntrans-69.1-28.5178.5175.90000110.9F405 L409 I503 L521 Y547 E568 M569 A572 K575F405-V523 HydrophobicContact CE2-CG1 4.2Å; F405-V523 HydrophobicContact CE2-CG2 4.03Å; F405-V523 HydrophobicContact CZ-CG1 4.03Å; L409-V523 HydrophobicContact CD1-CB 4.17Å; L409-V523 HydrophobicContact CD1-CG2 4.1Å; L409-V523 HydrophobicContact CD2-CB 4.37Å; L409-V523 HydrophobicContact CD2-CG1 4.14Å; L409-V523 HydrophobicContact CG-CB 4.38Å; I503-V523 HydrophobicContact CG1-CG1 3.82Å; I503-V523 PolarHBondContact N-O 3.14Å; L521-V523 PolarHBondContact O-N 3.15Å; V523-Y547 HydrophobicContact CB-CE2 4.44Å; V523-Y547 HydrophobicContact CG2-CE2 3.86Å; V523-Y547 PolarHBondContact N-OH 3.47Å; V523-E568 HydrophobicContact CG1-CB 4.4Å; V523-E568 HydrophobicContact CG2-CB 4.2Å; V523-M569 HydrophobicContact CG2-SD 3.77Å; V523-A572 HydrophobicContact CG2-CB 3.84Å; V523-K575 PolarHBondContact O-NZ 3.4Å
524C97.1Very high94.5Very high0 Ų050 Ų500%023%0.23CC..EExtended strand (participates in β ladder)trans-106.9165.4-178.1-45.10000111.9F413 A501 C502 L521 G522F413-C524 HydrophobicContact CE1-CB 4.12Å; F413-C524 HydrophobicContact CZ-CB 4.45Å; A501-C524 CarbonylContact O-C 3.44Å; A501-C524 WeakPolarHBondContact O-CA 3.41Å; A501-C524 WeakPolarHBondContact O-CB 3.49Å; C502-C524 WeakPolarHBondContact CA-SG 3.4Å; C502-C524 HydrophobicContact CB-CB 4Å; C502-C524 WeakPolarHBondContact CB-SG 3.46Å; C502-C524 WeakPolarHBondContact SG-CB 3.46Å; C502-C524 CovalentContact SG-SG 2.05Å; C502-C524 PolarHBondContact SG-SG 2.94Å; L521-C524 CarbonylContact C-O 3.45Å; L521-C524 VanDerWaalsContact CA-O 3.3Å; L521-C524 WeakPolarHBondContact CA-O 3.26Å; L521-C524 PolarHBondContact N-O 3.45Å; L521-C524 PolarHBondContact O-N 2.83Å; L521-C524 VanDerWaalsContact O-O 3.05Å; G522-C524 PolarHBondContact O-N 2.85Å
525D96.2Very high94.7Very high9 Ų944.9 Ų44.95%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-118.1136.7175.8-62.7-46.7000109.7F500 A501 R518 W519F500-D525 CarbonylContact C-O 3.59Å; F500-D525 WeakPolarHBondContact CA-O 3Å; A501-D525 PolarHBondContact N-O 3.11Å; A501-D525 PolarHBondContact O-N 3.39Å; R518-D525 HydrophobicContact CB-CB 4.47Å; R518-D525 HydrophobicContact CG-CB 4.42Å; R518-D525 IonicContact CZ-OD2 3.63Å; R518-D525 VanDerWaalsContact CZ-OD2 3.27Å; R518-D525 IonicContact NE-OD2 3.06Å; R518-D525 PolarHBondContact NE-OD2 2.79Å; R518-D525 VanDerWaalsContact NE-OD2 3.16Å; R518-D525 IonicContact NH2-OD2 3.13Å; R518-D525 PolarHBondContact NH2-OD2 3.42Å; W519-D525 CarbonylContact O-C 3.54Å
526Y96.9Very high94.7Very high4 Ų444.4 Ų44.42%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-82.7124.9172-175.8-147.8000110D498 V499 F500 R518 W519 V528 R532 W539D498-Y526 HydrophobicContact CB-CD2 4.44Å; D498-Y526 HydrophobicContact CB-CE2 3.59Å; D498-Y526 VanDerWaalsContact CG-OH 3.22Å; D498-Y526 PolarHBondContact OD1-OH 2.72Å; V499-Y526 WeakPolarHBondContact O-CD2 3.28Å; F500-Y526 AromaticContact CD1-CD2 3.86Å; F500-Y526 HydrophobicContact CD1-CD2 3.86Å; F500-Y526 HydrophobicContact CD1-CG 4.13Å; F500-Y526 HydrophobicContact CE1-CD1 4.48Å; F500-Y526 AromaticContact CE1-CD2 3.38Å; F500-Y526 HydrophobicContact CE1-CD2 3.38Å; F500-Y526 HydrophobicContact CE1-CE2 4.26Å; F500-Y526 AromaticContact CE1-CG 3.56Å; F500-Y526 HydrophobicContact CE1-CG 3.56Å; F500-Y526 HydrophobicContact CE2-CD2 4.23Å; F500-Y526 HydrophobicContact CG-CD2 4.45Å; F500-Y526 AromaticContact CZ-CD2 3.59Å; F500-Y526 HydrophobicContact CZ-CD2 3.59Å; F500-Y526 HydrophobicContact CZ-CE2 4.01Å; F500-Y526 HydrophobicContact CZ-CG 4.11Å; R518-Y526 WeakPolarHBondContact CA-O 3.47Å; W519-Y526 HydrophobicContact CE3-CD1 4.15Å; W519-Y526 HydrophobicContact CE3-CE1 4.5Å; W519-Y526 PolarHBondContact N-O 3.45Å; W519-Y526 WeakPolarHBondContact O-CB 3.34Å; W519-Y526 PolarHBondContact O-N 3.03Å; Y526-V528 HydrophobicContact CD1-CG2 3.13Å; Y526-V528 HydrophobicContact CD2-CG2 4.14Å; Y526-V528 HydrophobicContact CE1-CB 4.37Å; Y526-V528 HydrophobicContact CE1-CG1 4.27Å; Y526-V528 HydrophobicContact CE1-CG2 3.31Å; Y526-V528 HydrophobicContact CE2-CG2 4.27Å; Y526-V528 HydrophobicContact CG-CG2 3.56Å; Y526-R532 PolarHBondContact OH-NH1 3.35Å; Y526-W539 AromaticContact CD1-CH2 3.56Å; Y526-W539 HydrophobicContact CD1-CH2 3.56Å; Y526-W539 HydrophobicContact CD1-CZ2 4.38Å; Y526-W539 HydrophobicContact CD1-CZ3 4.19Å; Y526-W539 HydrophobicContact CE1-CH2 4.41Å; Y526-W539 HydrophobicContact CG-CH2 4.29Å
527L96.6Very high94.7Very high5 Ų547.2 Ų47.23%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-91.8109.8177.5-59177.7000109.4L420 L491 V499 A501 L505 R518L420-L527 HydrophobicContact CD1-CD1 4Å; L491-L527 HydrophobicContact CD1-CB 4.47Å; L491-L527 HydrophobicContact CD1-CD1 4.11Å; L491-L527 HydrophobicContact CD2-CB 4.45Å; L491-L527 HydrophobicContact CD2-CD1 3.8Å; V499-L527 HydrophobicContact CB-CB 4.42Å; V499-L527 HydrophobicContact CG1-CD1 4.11Å; V499-L527 PolarHBondContact O-N 2.88Å; A501-L527 HydrophobicContact CB-CD1 4.36Å; L505-L527 HydrophobicContact CD1-CD1 4.43Å; L505-L527 HydrophobicContact CD1-CD2 3.92Å; L505-L527 HydrophobicContact CD2-CD1 4.33Å; R518-L527 HydrophobicContact CG-CD2 3.54Å
528V94.8Very high94.7Very high0 Ų054.3 Ų54.30%025%0.246CC..EExtended strand (participates in β ladder)trans-120.2129.5-166.1-166.50000111.1F516 S517 W519 Y526 L530 R532F516-V528 CarbonylContact C-O 3.55Å; F516-V528 VanDerWaalsContact CA-O 3.24Å; F516-V528 WeakPolarHBondContact CA-O 3.26Å; S517-V528 PolarHBondContact N-O 2.78Å; S517-V528 PolarHBondContact O-N 2.89Å; S517-V528 PolarHBondContact OG-O 3.26Å; W519-V528 HydrophobicContact CB-CG2 4.4Å; W519-V528 HydrophobicContact CD2-CB 4.26Å; W519-V528 HydrophobicContact CD2-CG1 4.5Å; W519-V528 HydrophobicContact CD2-CG2 3.63Å; W519-V528 HydrophobicContact CE3-CG2 3.88Å; W519-V528 HydrophobicContact CG-CG2 3.9Å; W519-V528 HydrophobicContact CH2-CG1 3.92Å; W519-V528 HydrophobicContact CZ2-CB 4.24Å; W519-V528 HydrophobicContact CZ2-CG1 3.81Å; W519-V528 HydrophobicContact CZ2-CG2 4.42Å; W519-V528 HydrophobicContact CZ3-CG1 4.3Å; W519-V528 HydrophobicContact CZ3-CG2 4.38Å; Y526-V528 HydrophobicContact CD1-CG2 3.13Å; Y526-V528 HydrophobicContact CD2-CG2 4.14Å; Y526-V528 HydrophobicContact CE1-CB 4.37Å; Y526-V528 HydrophobicContact CE1-CG1 4.27Å; Y526-V528 HydrophobicContact CE1-CG2 3.31Å; Y526-V528 HydrophobicContact CE2-CG2 4.27Å; Y526-V528 HydrophobicContact CG-CG2 3.56Å; V528-L530 PolarHBondContact O-N 2.05Å; V528-R532 HydrophobicContact CG1-CB 3.55Å; V528-R532 HydrophobicContact CG1-CG 3.97Å
529P94.9Very high94.8Very high51 Ų5150.5 Ų50.533%0.33123%0.232SC..EExtended strand (participates in β ladder)trans-54.1137.8172.6-24.132.6000111.8F516 Q531 R532F516-P529 HydrophobicContact CD1-CG 4.2Å; F516-P529 HydrophobicContact CE1-CB 4.44Å; F516-P529 HydrophobicContact CE1-CG 3.86Å; P529-Q531 PolarHBondContact O-N 3.49Å; P529-R532 WeakPolarHBondContact O-CB 3.25Å; P529-R532 PolarHBondContact O-N 3.46Å
530L93.1Very high94.7Very high95 Ų9549.9 Ų49.950%0.49723%0.23SC..THydrogen-bonded Turntrans-59.1-21.4-176.9-73.3172.5000114R514 S515 V528 R532R514-L530 WeakPolarHBondContact O-CD1 3.41Å; S515-L530 PolarHBondContact O-N 2.78Å; V528-L530 PolarHBondContact O-N 2.05Å; L530-R532 VanDerWaalsContact C-N 3.27Å; L530-R532 PolarHBondContact O-N 3.29Å
531Q90.7Very high94.6Very high159 Ų15956.6 Ų56.674%0.74326%0.261SS*.THydrogen-bonded Turntrans-75.3-15.4177.8-55.779.49.900112.8P529 Q533P529-Q531 PolarHBondContact O-N 3.49Å; Q531-Q533 PolarHBondContact O-N 2.91Å
532R92.5Very high94.5Very high128 Ų12861.5 Ų61.548%0.48328%0.28SS..SBendtrans-75.3125.7-179.2-163.9174.7-173.3149.4-9.8110D498 W519 Y526 V528 P529 L530 F534D498-R532 IonicContact OD1-NH1 2.68Å; W519-R532 HydrophobicContact CH2-CB 4.44Å; W519-R532 HydrophobicContact CH2-CG 4.16Å; Y526-R532 PolarHBondContact OH-NH1 3.35Å; V528-R532 HydrophobicContact CG1-CB 3.55Å; V528-R532 HydrophobicContact CG1-CG 3.97Å; P529-R532 WeakPolarHBondContact O-CB 3.25Å; P529-R532 PolarHBondContact O-N 3.46Å; L530-R532 VanDerWaalsContact C-N 3.27Å; L530-R532 PolarHBondContact O-N 3.29Å; R532-F534 PolarHBondContact O-N 3.07Å
533Q91.9Very high94.4Very high152 Ų15262 Ų6271%0.7128%0.282SS*.PPolyproline II helixtrans-66.2129.4176.8-68.7-176.3-4.800111.1W519 Q531W519-Q533 WeakPolarHBondContact CH2-O 3.32Å; Q531-Q533 PolarHBondContact O-N 2.91Å
534F93.3Very high94.1Very high43 Ų4368.7 Ų68.719%0.18931%0.307CS..PPolyproline II helixtrans-90.1128.8173.7-176.6-112.9000110.4W519 R532 P536 W539 F579 L580 L583W519-F534 AromaticContact CD2-CD2 3.54Å; W519-F534 HydrophobicContact CD2-CD2 3.54Å; W519-F534 AromaticContact CD2-CE2 3.95Å; W519-F534 HydrophobicContact CD2-CE2 3.95Å; W519-F534 AromaticContact CE2-CD2 3.51Å; W519-F534 AromaticContact CE3-CD2 3.66Å; W519-F534 HydrophobicContact CE3-CD2 3.66Å; W519-F534 HydrophobicContact CE3-CE2 4.02Å; W519-F534 HydrophobicContact CG-CD2 4.23Å; W519-F534 HydrophobicContact CG-CE2 4.3Å; W519-F534 HydrophobicContact CH2-CB 3.98Å; W519-F534 AromaticContact CH2-CD2 3.74Å; W519-F534 HydrophobicContact CH2-CD2 3.74Å; W519-F534 HydrophobicContact CH2-CG 4.37Å; W519-F534 HydrophobicContact CZ2-CB 3.62Å; W519-F534 AromaticContact CZ2-CD2 3.64Å; W519-F534 HydrophobicContact CZ2-CD2 3.64Å; W519-F534 HydrophobicContact CZ2-CG 4.07Å; W519-F534 AromaticContact CZ3-CD2 3.75Å; W519-F534 HydrophobicContact CZ3-CD2 3.75Å; W519-F534 HydrophobicContact CZ3-CE2 4.45Å; R532-F534 PolarHBondContact O-N 3.07Å; F534-P536 HydrophobicContact CD1-CG 3.9Å; F534-P536 HydrophobicContact CE1-CB 3.95Å; F534-P536 HydrophobicContact CE1-CG 3.74Å; F534-W539 HydrophobicContact CE2-CB 3.6Å; F534-W539 AromaticContact CE2-CD1 3.93Å; F534-W539 HydrophobicContact CE2-CD2 4.1Å; F534-W539 AromaticContact CE2-CG 3.56Å; F534-W539 HydrophobicContact CE2-CG 3.56Å; F534-W539 HydrophobicContact CZ-CB 3.77Å; F534-W539 AromaticContact CZ-CG 3.99Å; F534-W539 HydrophobicContact CZ-CG 3.99Å; F534-F579 HydrophobicContact CD1-CE1 4.47Å; F534-F579 AromaticContact CE1-CE1 3.79Å; F534-F579 HydrophobicContact CE1-CE1 3.79Å; F534-F579 AromaticContact CE2-CE1 3.88Å; F534-F579 HydrophobicContact CE2-CE1 3.88Å; F534-F579 HydrophobicContact CZ-CD1 4.18Å; F534-F579 AromaticContact CZ-CE1 3.48Å; F534-F579 HydrophobicContact CZ-CE1 3.48Å; F534-F579 VanDerWaalsContact CZ-CE1 3.48Å; F534-F579 HydrophobicContact CZ-CZ 4.48Å; F534-L580 HydrophobicContact CE1-CD2 3.8Å; F534-L580 HydrophobicContact CZ-CD2 3.97Å; F534-L583 HydrophobicContact CD1-CD2 3.6Å; F534-L583 HydrophobicContact CE1-CD2 3.6Å
535H94.4Very high93.6Very high89 Ų8974 Ų7441%0.41234%0.344SS..  trans-113.998.4176.3-65-67000109.4E537 R538 W539H535-E537 PolarHBondContact O-N 2.99Å; H535-R538 HydrophobicContact CB-CB 4.17Å; H535-R538 HydrophobicContact CB-CG 4.43Å; H535-R538 PolarHBondContact O-N 3.23Å; H535-W539 PolarHBondContact O-N 2.82Å
536P94.4Very high93.3Very high26 Ų2675.2 Ų75.217%0.16935%0.35CS..Hα-helixtrans-55.3-49.1-170.8-2734.3000114.3F534 W539 A540 L580 L595 L598F534-P536 HydrophobicContact CD1-CG 3.9Å; F534-P536 HydrophobicContact CE1-CB 3.95Å; F534-P536 HydrophobicContact CE1-CG 3.74Å; P536-W539 PolarHBondContact O-N 3.04Å; P536-A540 WeakPolarHBondContact O-CB 3.4Å; P536-A540 PolarHBondContact O-N 3.4Å; P536-L580 HydrophobicContact CB-CD2 3.89Å; P536-L595 HydrophobicContact CB-CD2 3.66Å; P536-L595 HydrophobicContact CG-CD2 3.52Å; P536-L598 HydrophobicContact CB-CD2 3.76Å
537E94.3Very high93.1Very high80 Ų8076.5 Ų76.537%0.37436%0.355SS..Hα-helixtrans-65.6-44.1-175.7-6882.3175.300112H535 W539 A540 E541 R594 L598H535-E537 PolarHBondContact O-N 2.99Å; E537-W539 VanDerWaalsContact C-N 3.3Å; E537-W539 PolarHBondContact O-N 2.8Å; E537-A540 PolarHBondContact O-N 3.2Å; E537-E541 WeakPolarHBondContact O-CB 3.47Å; E537-E541 PolarHBondContact O-N 2.98Å; E537-R594 IonicContact OE1-CZ 3.16Å; E537-R594 IonicContact OE1-NE 3.37Å; E537-R594 PolarHBondContact OE1-NE 3.19Å; E537-R594 VanDerWaalsContact OE1-NE 3.12Å; E537-R594 IonicContact OE1-NH2 3.68Å; E537-L598 HydrophobicContact CG-CD2 4.42Å
538R94.6Very high93Very high178 Ų17882.3 Ų82.367%0.67239%0.387SS*.Hα-helixtrans-64.5-37.6176.6-70.8-175.7178.4170.40111.6H535 R542H535-R538 HydrophobicContact CB-CB 4.17Å; H535-R538 HydrophobicContact CB-CG 4.43Å; H535-R538 PolarHBondContact O-N 3.23Å; R538-R542 WeakPolarHBondContact O-CB 3.33Å; R538-R542 PolarHBondContact O-N 2.89Å
539W95.2Very high92.9Very high16 Ų1682.8 Ų82.86%0.06139%0.388CS..Hα-helixtrans-69.3-44178-161.9-98.7000111.4W519 P520 Y526 F534 H535 P536 E537 E541 R542 T543W519-W539 HydrophobicContact CB-CH2 4.45Å; W519-W539 HydrophobicContact CB-CZ2 3.8Å; W519-W539 HydrophobicContact CE3-CD2 4.16Å; W519-W539 AromaticContact CE3-CE3 3.84Å; W519-W539 HydrophobicContact CE3-CE3 3.84Å; W519-W539 HydrophobicContact CE3-CH2 4.02Å; W519-W539 HydrophobicContact CE3-CZ2 4.31Å; W519-W539 AromaticContact CE3-CZ3 3.75Å; W519-W539 HydrophobicContact CE3-CZ3 3.75Å; W519-W539 HydrophobicContact CZ3-CE3 4.23Å; W519-W539 HydrophobicContact CZ3-CZ3 4.19Å; P520-W539 PolarHBondContact O-NE1 3.47Å; Y526-W539 AromaticContact CD1-CH2 3.56Å; Y526-W539 HydrophobicContact CD1-CH2 3.56Å; Y526-W539 HydrophobicContact CD1-CZ2 4.38Å; Y526-W539 HydrophobicContact CD1-CZ3 4.19Å; Y526-W539 HydrophobicContact CE1-CH2 4.41Å; Y526-W539 HydrophobicContact CG-CH2 4.29Å; F534-W539 HydrophobicContact CE2-CB 3.6Å; F534-W539 AromaticContact CE2-CD1 3.93Å; F534-W539 HydrophobicContact CE2-CD2 4.1Å; F534-W539 AromaticContact CE2-CG 3.56Å; F534-W539 HydrophobicContact CE2-CG 3.56Å; F534-W539 HydrophobicContact CZ-CB 3.77Å; F534-W539 AromaticContact CZ-CG 3.99Å; F534-W539 HydrophobicContact CZ-CG 3.99Å; H535-W539 PolarHBondContact O-N 2.82Å; P536-W539 PolarHBondContact O-N 3.04Å; E537-W539 VanDerWaalsContact C-N 3.3Å; E537-W539 PolarHBondContact O-N 2.8Å; W539-E541 VanDerWaalsContact C-N 3.34Å; W539-E541 PolarHBondContact O-N 3.12Å; W539-R542 VanDerWaalsContact CZ3-NH1 3.32Å; W539-R542 PolarHBondContact O-N 3.49Å; W539-T543 WeakPolarHBondContact O-CG2 3.4Å; W539-T543 PolarHBondContact O-N 3.06Å; W539-T543 PolarHBondContact O-OG1 3.03Å; W539-T543 VanDerWaalsContact O-OG1 3.11Å
540A95.1Very high92.7Very high3 Ų384.9 Ų84.93%0.02540%0.404CS..Hα-helixtrans-58.1-44.3174.100000112.3P536 E537 T543 R544 L580 L598 L602P536-A540 WeakPolarHBondContact O-CB 3.4Å; P536-A540 PolarHBondContact O-N 3.4Å; E537-A540 PolarHBondContact O-N 3.2Å; A540-T543 PolarHBondContact O-N 3Å; A540-R544 WeakPolarHBondContact O-CB 3.15Å; A540-R544 PolarHBondContact O-N 3.28Å; A540-L580 HydrophobicContact CB-CD1 4.28Å; A540-L598 HydrophobicContact CB-CD1 3.92Å; A540-L598 HydrophobicContact CB-CD2 3.86Å; A540-L598 HydrophobicContact CB-CG 4.05Å; A540-L602 HydrophobicContact CB-CD1 3.92Å; A540-L602 HydrophobicContact CB-CD2 4.44Å
541E94.1Very high92.8Very high146 Ų14682.3 Ų82.368%0.68239%0.389SS*.Hα-helixtrans-63.4-44.2176.4-173.4173.2-161.700111.7E537 W539 T543 R544E537-E541 WeakPolarHBondContact O-CB 3.47Å; E537-E541 PolarHBondContact O-N 2.98Å; W539-E541 VanDerWaalsContact C-N 3.34Å; W539-E541 PolarHBondContact O-N 3.12Å; E541-T543 VanDerWaalsContact C-N 3.3Å; E541-T543 PolarHBondContact O-N 3.21Å; E541-R544 PolarHBondContact O-N 3.07Å
542R92.8Very high92.9Very high104 Ų10478 Ų7839%0.39238%0.375SS..Hα-helixtrans-60.1-37.5178179.9178.8177-177.3-2.1112.8R538 W539R538-R542 WeakPolarHBondContact O-CB 3.33Å; R538-R542 PolarHBondContact O-N 2.89Å; W539-R542 VanDerWaalsContact CZ3-NH1 3.32Å; W539-R542 PolarHBondContact O-N 3.49Å
543T94.2Very high92.7Very high15 Ų1572.4 Ų72.49%0.09235%0.354CS..Hα-helixtrans-97.6-6.7-17461.90000114.2L521 W539 A540 E541 S545 T576L521-T543 HydrophobicContact CD1-CG2 4.11Å; W539-T543 WeakPolarHBondContact O-CG2 3.4Å; W539-T543 PolarHBondContact O-N 3.06Å; W539-T543 PolarHBondContact O-OG1 3.03Å; W539-T543 VanDerWaalsContact O-OG1 3.11Å; A540-T543 PolarHBondContact O-N 3Å; E541-T543 VanDerWaalsContact C-N 3.3Å; E541-T543 PolarHBondContact O-N 3.21Å; T543-S545 VanDerWaalsContact C-N 3.28Å; T543-S545 PolarHBondContact O-N 3.06Å; T543-T576 WeakPolarHBondContact CB-OG1 3.3Å; T543-T576 WeakPolarHBondContact OG1-CB 3.06Å; T543-T576 WeakPolarHBondContact OG1-CG2 3.5Å; T543-T576 PolarHBondContact OG1-OG1 3.45Å
544R89.7Confident92.4Very high140 Ų14070.4 Ų70.453%0.52835%0.349SS..THydrogen-bonded Turntrans-56.2-37.9-175.7-157.8-173.2-147.1155.76.2114A540 E541 L602 E605A540-R544 WeakPolarHBondContact O-CB 3.15Å; A540-R544 PolarHBondContact O-N 3.28Å; E541-R544 PolarHBondContact O-N 3.07Å; R544-L602 HydrophobicContact CG-CD2 4.38Å; R544-E605 IonicContact CZ-OE1 3.06Å; R544-E605 IonicContact CZ-OE2 3.35Å; R544-E605 IonicContact NE-OE2 2.75Å; R544-E605 PolarHBondContact NE-OE2 3.24Å; R544-E605 IonicContact NH2-OE1 3.8Å; R544-E605 PolarHBondContact NH2-OE1 3.46Å; R544-E605 IonicContact NH2-OE2 2.84Å; R544-E605 PolarHBondContact NH2-OE2 2.71Å
545S85.4Confident92.3Very high110 Ų11070.9 Ų70.977%0.76936%0.358SS*.THydrogen-bonded Turntrans-13552.5-176.8-56.10000110.7T543T543-S545 VanDerWaalsContact C-N 3.28Å; T543-S545 PolarHBondContact O-N 3.06Å
546L90.4Very high92.2Very high35 Ų3568.5 Ų68.518%0.18335%0.346CS..  trans-67.5-36.6-173.7-167.769.4000113.5L521L521-L546 HydrophobicContact CD1-CD1 3.74Å; L521-L546 HydrophobicContact CD1-CD2 4.07Å; L521-L546 HydrophobicContact CG-CD1 4.3Å; L521-L546 HydrophobicContact CG-CD2 3.94Å; L521-L546 WeakPolarHBondContact O-CD2 3.42Å
547Y93.8Very high92Very high32 Ų3270.1 Ų70.113%0.12536%0.357CS..  trans-125.1138.5-174.7-55.2-48.1000111.6E408 L409 L521 V523 W549 M569 A572E408-Y547 HydrophobicContact CB-CD1 3.79Å; E408-Y547 HydrophobicContact CB-CE1 4.43Å; E408-Y547 HydrophobicContact CB-CG 4.37Å; E408-Y547 WeakPolarHBondContact OE2-CA 3.36Å; L409-Y547 HydrophobicContact CD1-CE1 4.44Å; L521-Y547 PolarHBondContact O-OH 2.78Å; V523-Y547 HydrophobicContact CB-CE2 4.44Å; V523-Y547 HydrophobicContact CG2-CE2 3.86Å; V523-Y547 PolarHBondContact N-OH 3.47Å; Y547-W549 PolarHBondContact O-N 3.35Å; Y547-M569 VanDerWaalsContact CB-CE 3.41Å; Y547-M569 HydrophobicContact CD1-CE 4.05Å; Y547-M569 HydrophobicContact CD2-CE 3.48Å; Y547-M569 VanDerWaalsContact CD2-CE 3.48Å; Y547-M569 HydrophobicContact CD2-SD 3.87Å; Y547-M569 HydrophobicContact CE2-CE 4.21Å; Y547-M569 HydrophobicContact CE2-SD 4.07Å; Y547-M569 HydrophobicContact CG-CE 3.38Å; Y547-M569 HydrophobicContact CG-SD 4.29Å; Y547-A572 HydrophobicContact CD2-CB 4.33Å; Y547-A572 HydrophobicContact CE2-CB 3.87Å
548N93Very high91.8Very high127 Ų12770.6 Ų70.668%0.67937%0.367SS*.  trans-87.977.9169.4-172.114.9000110.3E408E408-N548 PolarHBondContact OE2-N 3.38Å
549W93.7Very high91.5Very high10 Ų1064.2 Ų64.24%0.03835%0.352CS..  trans-118.4117.5-175.2-166-97000112.4V401 R404 F405 Y547 E551 N566 M569 R573V401-W549 HydrophobicContact CG1-CH2 3.67Å; V401-W549 HydrophobicContact CG1-CZ2 3.9Å; V401-W549 WeakPolarHBondContact O-CH2 3.23Å; R404-W549 HydrophobicContact CB-CZ3 4.09Å; R404-W549 HydrophobicContact CG-CE3 4.38Å; R404-W549 HydrophobicContact CG-CZ3 4.07Å; F405-W549 HydrophobicContact CB-CH2 4.13Å; F405-W549 HydrophobicContact CB-CZ3 4.14Å; Y547-W549 PolarHBondContact O-N 3.35Å; W549-E551 HydrophobicContact CZ2-CB 4.32Å; W549-E551 HydrophobicContact CZ2-CG 3.97Å; W549-N566 HydrophobicContact CZ2-CB 4.29Å; W549-N566 PolarHBondContact NE1-OD1 2.88Å; W549-M569 HydrophobicContact CB-CE 3.91Å; W549-M569 HydrophobicContact CD2-CB 3.81Å; W549-M569 HydrophobicContact CD2-CE 3.83Å; W549-M569 HydrophobicContact CD2-CG 3.69Å; W549-M569 HydrophobicContact CE3-CE 3.57Å; W549-M569 HydrophobicContact CE3-CG 3.95Å; W549-M569 HydrophobicContact CG-CB 3.77Å; W549-M569 HydrophobicContact CG-CE 4.02Å; W549-M569 HydrophobicContact CG-CG 4.14Å; W549-M569 HydrophobicContact CH2-CG 4.19Å; W549-M569 HydrophobicContact CZ2-CB 4.37Å; W549-M569 HydrophobicContact CZ2-CG 4Å; W549-M569 HydrophobicContact CZ3-CE 4.28Å; W549-M569 HydrophobicContact CZ3-CG 4.17Å; W549-R573 PolarHBondContact O-NH2 2.95Å
550S90.9Very high91.4Very high94 Ų9464.3 Ų64.366%0.65736%0.355SS*.  trans-115.43.3-174.162.40000114.9
551E93.6Very high91.4Very high41 Ų4166.4 Ų66.419%0.19236%0.362CS..  trans-70.2132.7-178.9-63.3-61.8155.300111.2R404 W549 F556 N566 W570R404-E551 IonicContact CZ-OE1 3.89Å; R404-E551 IonicContact NH1-OE1 3.84Å; R404-E551 PolarHBondContact NH1-OE1 2.89Å; R404-E551 VanDerWaalsContact NH2-CD 3.25Å; R404-E551 IonicContact NH2-OE1 3.94Å; R404-E551 PolarHBondContact NH2-OE1 3.07Å; W549-E551 HydrophobicContact CZ2-CB 4.32Å; W549-E551 HydrophobicContact CZ2-CG 3.97Å; E551-F556 HydrophobicContact CB-CE2 4.02Å; E551-F556 HydrophobicContact CB-CZ 4.44Å; E551-F556 HydrophobicContact CG-CE2 4.05Å; E551-F556 HydrophobicContact CG-CZ 4.07Å; E551-N566 WeakPolarHBondContact CB-OD1 3.2Å; E551-W570 WeakPolarHBondContact O-CZ2 3.27Å; E551-W570 PolarHBondContact O-NE1 3.22Å
552P92.9Very high91.5Very high69 Ų6960.7 Ų60.745%0.44834%0.336SS..  trans-59.2144.2172.8-20.231.3000110.9N554 S555 N566P552-N554 PolarHBondContact O-N 3.44Å; P552-S555 PolarHBondContact O-N 2.93Å; P552-S555 PolarHBondContact O-OG 2.95Å; P552-N566 PolarHBondContact O-ND2 3.4Å
553H88.5Confident91.6Very high10 Ų1058.1 Ų58.15%0.04633%0.326CS..THydrogen-bonded Turntrans-55.1-46-172.6175.3-119.7000114.1R563 N566 E567 W570H553-R563 PolarHBondContact NE2-NH1 3.04Å; H553-R563 PolarHBondContact O-NH1 2.86Å; H553-N566 PolarHBondContact O-ND2 3.46Å; H553-E567 IonicContact CD2-OE2 3.83Å; H553-E567 IonicContact CE1-OE2 2.68Å; H553-E567 IonicContact NE2-OE1 3.7Å; H553-E567 IonicContact NE2-OE2 3.21Å; H553-E567 PolarHBondContact NE2-OE2 3.24Å; H553-W570 HydrophobicContact CB-CD2 3.93Å; H553-W570 HydrophobicContact CB-CE3 4.4Å; H553-W570 HydrophobicContact CB-CG 4.29Å; H553-W570 HydrophobicContact CB-CZ2 4.04Å; H553-W570 AromaticContact CD2-CD1 3.98Å; H553-W570 AromaticContact CD2-CG 3.78Å
554N86.5Confident91.6Very high110 Ų11059.1 Ų59.159%0.58833%0.332SS*.THydrogen-bonded Turntrans-105.633-174.9-70.5-35.9000113.5P552 R563P552-N554 PolarHBondContact O-N 3.44Å; N554-R563 PolarHBondContact OD1-NH1 2.95Å
555S91Very high92Very high54 Ų5452.4 Ų52.438%0.37831%0.307SS..  trans-82.5-12.4-175.457.70000115.5P552P552-S555 PolarHBondContact O-N 2.93Å; P552-S555 PolarHBondContact O-OG 2.95Å
556F92.8Very high92.5Very high39 Ų3947.2 Ų47.217%0.17127%0.27CS..SBendtrans-116.5150.6-172-60.1-68.9000113.5V401 E551 E562 R563 N566V401-F556 HydrophobicContact CB-CZ 4.39Å; V401-F556 HydrophobicContact CG1-CE2 4.17Å; V401-F556 HydrophobicContact CG1-CZ 4.16Å; V401-F556 HydrophobicContact CG2-CE1 3.65Å; V401-F556 HydrophobicContact CG2-CE2 4.18Å; V401-F556 HydrophobicContact CG2-CZ 3.35Å; E551-F556 HydrophobicContact CB-CE2 4.02Å; E551-F556 HydrophobicContact CB-CZ 4.44Å; E551-F556 HydrophobicContact CG-CE2 4.05Å; E551-F556 HydrophobicContact CG-CZ 4.07Å; F556-E562 HydrophobicContact CB-CB 4.05Å; F556-E562 HydrophobicContact CD1-CB 3.57Å; F556-E562 HydrophobicContact CD1-CG 4.28Å; F556-E562 HydrophobicContact CD2-CB 4.12Å; F556-E562 HydrophobicContact CE1-CB 4.06Å; F556-E562 HydrophobicContact CE1-CG 4.48Å; F556-E562 HydrophobicContact CG-CB 3.63Å; F556-R563 HydrophobicContact CB-CB 3.93Å; F556-N566 HydrophobicContact CD2-CB 3.83Å; F556-N566 HydrophobicContact CE2-CB 3.98Å
557P90.6Very high92.7Very high60 Ų6047.7 Ų47.739%0.3927%0.271SS..  trans-57.5140.8177.3-24.534.2000112.7A559 S560 R563P557-A559 PolarHBondContact O-N 2.78Å; P557-A559 VanDerWaalsContact O-N 3.13Å; P557-S560 WeakPolarHBondContact O-CB 3.41Å; P557-S560 PolarHBondContact O-N 2.75Å; P557-S560 VanDerWaalsContact O-N 3.08Å; P557-S560 PolarHBondContact O-OG 3.49Å; P557-R563 VanDerWaalsContact O-CB 3.27Å; P557-R563 WeakPolarHBondContact O-CB 3.33Å
558P88.6Confident92.8Very high90 Ų9048.1 Ų48.158%0.58428%0.275SS*.THydrogen-bonded Turntrans-58.5-29-176-28.135.7000115.7P329 S560P329-P558 HydrophobicContact CB-CB 3.8Å; P329-P558 HydrophobicContact CG-CB 4.14Å; P558-S560 VanDerWaalsContact C-N 3.33Å
559A88.4Confident92.9Very high44 Ų4442.2 Ų42.236%0.36424%0.243SC..THydrogen-bonded Turntrans-89.88.1-178.800000114P329 P557P329-A559 HydrophobicContact CB-CB 4.36Å; P329-A559 WeakPolarHBondContact O-CB 3.44Å; P557-A559 PolarHBondContact O-N 2.78Å; P557-A559 VanDerWaalsContact O-N 3.13Å
560S92.9Very high93Very high18 Ų1842 Ų4213%0.12624%0.242CC..SBendtrans-99.2151.6-173.172.30000112.9P557 P558 E562 R563 V564P557-S560 WeakPolarHBondContact O-CB 3.41Å; P557-S560 PolarHBondContact O-N 2.75Å; P557-S560 VanDerWaalsContact O-N 3.08Å; P557-S560 PolarHBondContact O-OG 3.49Å; P558-S560 VanDerWaalsContact C-N 3.33Å; S560-E562 VanDerWaalsContact C-N 3.26Å; S560-E562 VanDerWaalsContact CB-OE2 3.32Å; S560-E562 WeakPolarHBondContact CB-OE2 3.36Å; S560-E562 PolarHBondContact O-N 3.16Å; S560-R563 PolarHBondContact O-N 3.36Å; S560-R563 WeakPolarHBondContact OG-CB 3.25Å; S560-R563 PolarHBondContact OG-N 3.45Å; S560-R563 VanDerWaalsContact OG-N 3.14Å; S560-V564 PolarHBondContact O-N 3.4Å
561W94.8Very high93.1Very high47 Ų4739.8 Ų39.818%0.17822%0.221CC..Hα-helixtrans-70.5-25.9173.2-77104.8000112.4L330 V402 D424 L425 R563 V564 A565L330-W561 HydrophobicContact CD1-CD2 4.29Å; L330-W561 HydrophobicContact CD2-CH2 4.3Å; L330-W561 HydrophobicContact CD2-CZ3 4.33Å; V402-W561 HydrophobicContact CG2-CB 4.38Å; D424-W561 HydrophobicContact CB-CH2 3.73Å; D424-W561 HydrophobicContact CB-CZ2 4.12Å; D424-W561 HydrophobicContact CB-CZ3 4.42Å; L425-W561 HydrophobicContact CB-CE3 4Å; L425-W561 HydrophobicContact CB-CZ3 3.83Å; L425-W561 HydrophobicContact CD1-CE3 4.38Å; W561-R563 VanDerWaalsContact C-N 3.31Å; W561-R563 PolarHBondContact O-N 2.97Å; W561-V564 HydrophobicContact CE3-CB 4.28Å; W561-V564 HydrophobicContact CE3-CG1 4.46Å; W561-V564 HydrophobicContact CE3-CG2 4.29Å; W561-V564 PolarHBondContact O-N 3.26Å; W561-A565 WeakPolarHBondContact O-CB 3.39Å; W561-A565 PolarHBondContact O-N 3.44Å
562E96.2Very high93.2Very high25 Ų2538.1 Ų38.112%0.11722%0.215CC..Hα-helixtrans-61.3-41.3173.1-66.469.4-157.400110.7N399 V401 F556 S560 A565 N566N399-E562 VanDerWaalsContact ND2-CD 3.28Å; N399-E562 WeakPolarHBondContact ND2-CG 3.22Å; N399-E562 PolarHBondContact ND2-OE1 2.88Å; V401-E562 HydrophobicContact CB-CB 4.27Å; V401-E562 HydrophobicContact CB-CG 3.9Å; V401-E562 HydrophobicContact CG1-CB 4.05Å; V401-E562 HydrophobicContact CG1-CG 4.23Å; V401-E562 HydrophobicContact CG2-CB 4.48Å; V401-E562 HydrophobicContact CG2-CG 4.15Å; F556-E562 HydrophobicContact CB-CB 4.05Å; F556-E562 HydrophobicContact CD1-CB 3.57Å; F556-E562 HydrophobicContact CD1-CG 4.28Å; F556-E562 HydrophobicContact CD2-CB 4.12Å; F556-E562 HydrophobicContact CE1-CB 4.06Å; F556-E562 HydrophobicContact CE1-CG 4.48Å; F556-E562 HydrophobicContact CG-CB 3.63Å; S560-E562 VanDerWaalsContact C-N 3.26Å; S560-E562 VanDerWaalsContact CB-OE2 3.32Å; S560-E562 WeakPolarHBondContact CB-OE2 3.36Å; S560-E562 PolarHBondContact O-N 3.16Å; E562-A565 PolarHBondContact O-N 3.43Å; E562-N566 WeakPolarHBondContact O-CB 3.25Å; E562-N566 PolarHBondContact O-N 2.96Å
563R95.4Very high93.2Very high50 Ų5038.2 Ų38.219%0.18921%0.206CC..Hα-helixtrans-62.4-43173.1179.165.9176.9123.121.1111.5H553 N554 F556 P557 S560 W561 N566 E567H553-R563 PolarHBondContact NE2-NH1 3.04Å; H553-R563 PolarHBondContact O-NH1 2.86Å; N554-R563 PolarHBondContact OD1-NH1 2.95Å; F556-R563 HydrophobicContact CB-CB 3.93Å; P557-R563 VanDerWaalsContact O-CB 3.27Å; P557-R563 WeakPolarHBondContact O-CB 3.33Å; S560-R563 PolarHBondContact O-N 3.36Å; S560-R563 WeakPolarHBondContact OG-CB 3.25Å; S560-R563 PolarHBondContact OG-N 3.45Å; S560-R563 VanDerWaalsContact OG-N 3.14Å; W561-R563 VanDerWaalsContact C-N 3.31Å; W561-R563 PolarHBondContact O-N 2.97Å; R563-N566 PolarHBondContact O-N 3.19Å; R563-E567 IonicContact CZ-OE2 3.77Å; R563-E567 IonicContact NH1-OE2 3.89Å; R563-E567 PolarHBondContact NH1-OE2 3.42Å; R563-E567 IonicContact NH2-OE2 3.6Å; R563-E567 PolarHBondContact NH2-OE2 2.57Å; R563-E567 WeakPolarHBondContact O-CB 3.16Å; R563-E567 PolarHBondContact O-N 3.06Å
564V95.3Very high93.4Very high36 Ų3638 Ų3822%0.21821%0.205CC..Hα-helixtrans-63.6-49.3178-176.10000110.8L330 L425 S560 W561 N566 E567 E568L330-V564 HydrophobicContact CD1-CG2 4.08Å; L330-V564 HydrophobicContact CD2-CG2 3.73Å; L330-V564 HydrophobicContact CG-CG2 4.44Å; L425-V564 HydrophobicContact CD2-CB 4.43Å; L425-V564 HydrophobicContact CD2-CG1 3.92Å; S560-V564 PolarHBondContact O-N 3.4Å; W561-V564 HydrophobicContact CE3-CB 4.28Å; W561-V564 HydrophobicContact CE3-CG1 4.46Å; W561-V564 HydrophobicContact CE3-CG2 4.29Å; W561-V564 PolarHBondContact O-N 3.26Å; V564-N566 VanDerWaalsContact C-N 3.32Å; V564-N566 PolarHBondContact O-N 2.92Å; V564-E567 PolarHBondContact O-N 3.11Å; V564-E568 WeakPolarHBondContact O-CG 3.28Å; V564-E568 PolarHBondContact O-N 2.73Å
565A96.7Very high93.8Very high0 Ų035.1 Ų35.10%019%0.187CC..Hα-helixtrans-59.7-44.4177.800000111.6V401 F405 L425 W561 E562 E568 M569V401-A565 HydrophobicContact CG1-CB 4.37Å; F405-A565 HydrophobicContact CB-CB 4.1Å; F405-A565 HydrophobicContact CD2-CB 3.99Å; F405-A565 HydrophobicContact CG-CB 4.03Å; L425-A565 HydrophobicContact CD1-CB 4.13Å; L425-A565 HydrophobicContact CD2-CB 3.96Å; W561-A565 WeakPolarHBondContact O-CB 3.39Å; W561-A565 PolarHBondContact O-N 3.44Å; E562-A565 PolarHBondContact O-N 3.43Å; A565-E568 PolarHBondContact O-N 3.18Å; A565-M569 VanDerWaalsContact O-CG 3.23Å; A565-M569 WeakPolarHBondContact O-CG 3.36Å; A565-M569 PolarHBondContact O-N 3Å; A565-M569 VanDerWaalsContact O-N 3.09Å
566N96.5Very high94.1Very high0 Ų032.9 Ų32.90%017%0.171CC..Hα-helixtrans-63.1-46.5177.4-165.931.4000111.6W549 E551 P552 H553 F556 E562 R563 V564 E568 M569 W570W549-N566 HydrophobicContact CZ2-CB 4.29Å; W549-N566 PolarHBondContact NE1-OD1 2.88Å; E551-N566 WeakPolarHBondContact CB-OD1 3.2Å; P552-N566 PolarHBondContact O-ND2 3.4Å; H553-N566 PolarHBondContact O-ND2 3.46Å; F556-N566 HydrophobicContact CD2-CB 3.83Å; F556-N566 HydrophobicContact CE2-CB 3.98Å; E562-N566 WeakPolarHBondContact O-CB 3.25Å; E562-N566 PolarHBondContact O-N 2.96Å; R563-N566 PolarHBondContact O-N 3.19Å; V564-N566 VanDerWaalsContact C-N 3.32Å; V564-N566 PolarHBondContact O-N 2.92Å; N566-E568 VanDerWaalsContact C-N 3.35Å; N566-E568 PolarHBondContact O-N 3Å; N566-M569 PolarHBondContact O-N 3.07Å; N566-M569 VanDerWaalsContact O-N 3.16Å; N566-W570 VanDerWaalsContact O-CD1 3.22Å; N566-W570 PolarHBondContact O-N 3.07Å; N566-W570 VanDerWaalsContact OD1-CD1 3.23Å; N566-W570 PolarHBondContact OD1-NE1 3.42Å
567E94.7Very high94.3Very high45 Ų4531 Ų3121%0.2116%0.164CC..Hα-helixtrans-57.7-46.3177.1-17266.5-137.200111.4H553 R563 V564 M569 W570 Q571H553-E567 IonicContact CD2-OE2 3.83Å; H553-E567 IonicContact CE1-OE2 2.68Å; H553-E567 IonicContact NE2-OE1 3.7Å; H553-E567 IonicContact NE2-OE2 3.21Å; H553-E567 PolarHBondContact NE2-OE2 3.24Å; R563-E567 IonicContact CZ-OE2 3.77Å; R563-E567 IonicContact NH1-OE2 3.89Å; R563-E567 PolarHBondContact NH1-OE2 3.42Å; R563-E567 IonicContact NH2-OE2 3.6Å; R563-E567 PolarHBondContact NH2-OE2 2.57Å; R563-E567 WeakPolarHBondContact O-CB 3.16Å; R563-E567 PolarHBondContact O-N 3.06Å; V564-E567 PolarHBondContact O-N 3.11Å; E567-M569 VanDerWaalsContact C-N 3.31Å; E567-M569 PolarHBondContact O-N 2.71Å; E567-W570 PolarHBondContact O-N 3.14Å; E567-W570 VanDerWaalsContact O-N 3.16Å; E567-Q571 HydrophobicContact CG-CG 4.32Å; E567-Q571 WeakPolarHBondContact O-CG 3.44Å; E567-Q571 PolarHBondContact O-N 2.87Å; E567-Q571 PolarHBondContact OE1-NE2 3.42Å
568E95.4Very high94.5Very high42 Ų4233.3 Ų33.320%0.19617%0.168CC..Hα-helixtrans-58.6-41.7176.2-72.5-60.2146.200112.2F405 I503 V523 V564 A565 N566 A572F405-E568 HydrophobicContact CE2-CB 3.96Å; I503-E568 HydrophobicContact CD1-CG 4.14Å; V523-E568 HydrophobicContact CG1-CB 4.4Å; V523-E568 HydrophobicContact CG2-CB 4.2Å; V564-E568 WeakPolarHBondContact O-CG 3.28Å; V564-E568 PolarHBondContact O-N 2.73Å; A565-E568 PolarHBondContact O-N 3.18Å; N566-E568 VanDerWaalsContact C-N 3.35Å; N566-E568 PolarHBondContact O-N 3Å; E568-A572 WeakPolarHBondContact O-CB 3.17Å; E568-A572 PolarHBondContact O-N 3.21Å
569M95.7Very high94.9Very high2 Ų230.9 Ų30.91%0.0115%0.148CC..Hα-helixtrans-68.3-34177.7-64.6-61.7-79.800112.7F405 E408 L409 V523 Y547 W549 A565 N566 E567F405-M569 HydrophobicContact CD2-CG 3.71Å; F405-M569 HydrophobicContact CD2-SD 3.65Å; F405-M569 HydrophobicContact CE2-CG 4.25Å; F405-M569 HydrophobicContact CE2-SD 4Å; E408-M569 HydrophobicContact CB-CE 3.92Å; E408-M569 HydrophobicContact CG-CE 4.22Å; L409-M569 HydrophobicContact CD1-SD 4.1Å; V523-M569 HydrophobicContact CG2-SD 3.77Å; Y547-M569 VanDerWaalsContact CB-CE 3.41Å; Y547-M569 HydrophobicContact CD1-CE 4.05Å; Y547-M569 HydrophobicContact CD2-CE 3.48Å; Y547-M569 VanDerWaalsContact CD2-CE 3.48Å; Y547-M569 HydrophobicContact CD2-SD 3.87Å; Y547-M569 HydrophobicContact CE2-CE 4.21Å; Y547-M569 HydrophobicContact CE2-SD 4.07Å; Y547-M569 HydrophobicContact CG-CE 3.38Å; Y547-M569 HydrophobicContact CG-SD 4.29Å; W549-M569 HydrophobicContact CB-CE 3.91Å; W549-M569 HydrophobicContact CD2-CB 3.81Å; W549-M569 HydrophobicContact CD2-CE 3.83Å; W549-M569 HydrophobicContact CD2-CG 3.69Å; W549-M569 HydrophobicContact CE3-CE 3.57Å; W549-M569 HydrophobicContact CE3-CG 3.95Å; W549-M569 HydrophobicContact CG-CB 3.77Å; W549-M569 HydrophobicContact CG-CE 4.02Å; W549-M569 HydrophobicContact CG-CG 4.14Å; W549-M569 HydrophobicContact CH2-CG 4.19Å; W549-M569 HydrophobicContact CZ2-CB 4.37Å; W549-M569 HydrophobicContact CZ2-CG 4Å; W549-M569 HydrophobicContact CZ3-CE 4.28Å; W549-M569 HydrophobicContact CZ3-CG 4.17Å; A565-M569 VanDerWaalsContact O-CG 3.23Å; A565-M569 WeakPolarHBondContact O-CG 3.36Å; A565-M569 PolarHBondContact O-N 3Å; A565-M569 VanDerWaalsContact O-N 3.09Å; N566-M569 PolarHBondContact O-N 3.07Å; N566-M569 VanDerWaalsContact O-N 3.16Å; E567-M569 VanDerWaalsContact C-N 3.31Å; E567-M569 PolarHBondContact O-N 2.71Å
570W95Very high95.3Very high6 Ų628.8 Ų28.82%0.02313%0.13CC..Hα-helixtrans-71.6-48.8174-83.790.1000111E551 H553 N566 E567 A572 R573 Q610 E612 P614 W617E551-W570 WeakPolarHBondContact O-CZ2 3.27Å; E551-W570 PolarHBondContact O-NE1 3.22Å; H553-W570 HydrophobicContact CB-CD2 3.93Å; H553-W570 HydrophobicContact CB-CE3 4.4Å; H553-W570 HydrophobicContact CB-CG 4.29Å; H553-W570 HydrophobicContact CB-CZ2 4.04Å; H553-W570 AromaticContact CD2-CD1 3.98Å; H553-W570 AromaticContact CD2-CG 3.78Å; N566-W570 VanDerWaalsContact O-CD1 3.22Å; N566-W570 PolarHBondContact O-N 3.07Å; N566-W570 VanDerWaalsContact OD1-CD1 3.23Å; N566-W570 PolarHBondContact OD1-NE1 3.42Å; E567-W570 PolarHBondContact O-N 3.14Å; E567-W570 VanDerWaalsContact O-N 3.16Å; W570-A572 VanDerWaalsContact C-N 3.26Å; W570-A572 PolarHBondContact O-N 3.27Å; W570-R573 WeakPolarHBondContact O-CB 3.3Å; W570-R573 PolarHBondContact O-N 3.42Å; W570-Q610 HydrophobicContact CH2-CB 4.27Å; W570-Q610 HydrophobicContact CH2-CG 3.95Å; W570-Q610 HydrophobicContact CZ3-CB 4.33Å; W570-Q610 HydrophobicContact CZ3-CG 4Å; W570-E612 VanDerWaalsContact CH2-O 3.27Å; W570-E612 WeakPolarHBondContact CH2-O 3.37Å; W570-P614 HydrophobicContact CB-CG 4.19Å; W570-P614 HydrophobicContact CE3-CG 4.37Å; W570-W617 AromaticContact CE3-CH2 3.33Å; W570-W617 HydrophobicContact CE3-CH2 3.33Å; W570-W617 AromaticContact CE3-CZ2 3.52Å; W570-W617 HydrophobicContact CE3-CZ2 3.52Å; W570-W617 HydrophobicContact CE3-CZ3 4.15Å; W570-W617 AromaticContact CZ3-CH2 3.43Å; W570-W617 HydrophobicContact CZ3-CH2 3.43Å; W570-W617 VanDerWaalsContact CZ3-CH2 3.43Å; W570-W617 HydrophobicContact CZ3-CZ2 4.09Å; W570-W617 AromaticContact CZ3-CZ3 3.86Å; W570-W617 HydrophobicContact CZ3-CZ3 3.86Å; W570-W617 WeakPolarHBondContact O-CZ2 3.3Å
571Q93.6Very high95.4Very high47 Ų4729.2 Ų29.222%0.2213%0.13CC..Hα-helixtrans-62.3-34.2177.8-64.7-55.8-35.100112.3E567 R573 M574 N616E567-Q571 HydrophobicContact CG-CG 4.32Å; E567-Q571 WeakPolarHBondContact O-CG 3.44Å; E567-Q571 PolarHBondContact O-N 2.87Å; E567-Q571 PolarHBondContact OE1-NE2 3.42Å; Q571-R573 PolarHBondContact O-N 3.49Å; Q571-R573 VanDerWaalsContact O-N 3.15Å; Q571-M574 PolarHBondContact O-N 3.2Å; Q571-N616 PolarHBondContact OE1-ND2 3.14Å
572A95.1Very high95.5Very high6 Ų629.2 Ų29.25%0.0513%0.134CC..Hα-helixtrans-53.4-33.5175.900000114G522 V523 Y547 E568 W570 M574 K575G522-A572 VanDerWaalsContact C-CB 3.4Å; V523-A572 HydrophobicContact CG2-CB 3.84Å; Y547-A572 HydrophobicContact CD2-CB 4.33Å; Y547-A572 HydrophobicContact CE2-CB 3.87Å; E568-A572 WeakPolarHBondContact O-CB 3.17Å; E568-A572 PolarHBondContact O-N 3.21Å; W570-A572 VanDerWaalsContact C-N 3.26Å; W570-A572 PolarHBondContact O-N 3.27Å; A572-M574 VanDerWaalsContact C-N 3.31Å; A572-M574 PolarHBondContact O-N 2.94Å; A572-K575 PolarHBondContact O-N 2.9Å
573R93.8Very high95.4Very high72 Ų7230.3 Ų30.327%0.27214%0.14SC..Hα-helixtrans-62.5-37.4-178.5-64.7175.3173.8-131.72.6112.2W549 W570 Q571 I606 W617W549-R573 PolarHBondContact O-NH2 2.95Å; W570-R573 WeakPolarHBondContact O-CB 3.3Å; W570-R573 PolarHBondContact O-N 3.42Å; Q571-R573 PolarHBondContact O-N 3.49Å; Q571-R573 VanDerWaalsContact O-N 3.15Å; R573-I606 HydrophobicContact CB-CG2 4.12Å; R573-I606 VanDerWaalsContact O-CD1 3.25Å; R573-I606 WeakPolarHBondContact O-CD1 3.12Å; R573-W617 HydrophobicContact CB-CH2 4.23Å; R573-W617 HydrophobicContact CB-CZ2 4.06Å
574M93.2Very high95.3Very high6 Ų627.9 Ų27.93%0.0313%0.131CC..Hα-helixtrans-81.8-20.3-176.4-65.7-74.6113.900113.7Q571 A572 T576 A577 F578 Y603 I606 W617Q571-M574 PolarHBondContact O-N 3.2Å; A572-M574 VanDerWaalsContact C-N 3.31Å; A572-M574 PolarHBondContact O-N 2.94Å; M574-T576 VanDerWaalsContact C-N 3.32Å; M574-T576 PolarHBondContact O-N 2.93Å; M574-A577 PolarHBondContact O-N 3.37Å; M574-A577 VanDerWaalsContact O-N 3.12Å; M574-F578 PolarHBondContact O-N 3.34Å; M574-Y603 HydrophobicContact CB-CE1 4.33Å; M574-Y603 HydrophobicContact CE-CD1 4.24Å; M574-Y603 HydrophobicContact CG-CE1 4.46Å; M574-Y603 HydrophobicContact SD-CD1 3.38Å; M574-Y603 WeakPolarHBondContact SD-CD1 3.3Å; M574-Y603 HydrophobicContact SD-CE1 3.39Å; M574-Y603 WeakPolarHBondContact SD-CE1 3.42Å; M574-I606 HydrophobicContact CE-CB 3.39Å; M574-I606 HydrophobicContact CE-CD1 3.66Å; M574-I606 HydrophobicContact CE-CG1 4.12Å; M574-I606 HydrophobicContact CE-CG2 3.03Å; M574-W617 HydrophobicContact CE-CD2 3.45Å; M574-W617 VanDerWaalsContact CE-CD2 3.45Å; M574-W617 HydrophobicContact CE-CE3 3.6Å; M574-W617 HydrophobicContact CE-CG 3.94Å; M574-W617 HydrophobicContact CE-CH2 4.11Å; M574-W617 HydrophobicContact CE-CZ2 3.96Å; M574-W617 HydrophobicContact CE-CZ3 3.97Å; M574-W617 HydrophobicContact CG-CD2 3.99Å; M574-W617 HydrophobicContact CG-CG 3.9Å; M574-W617 HydrophobicContact CG-CZ2 4.17Å; M574-W617 HydrophobicContact SD-CB 4.13Å; M574-W617 HydrophobicContact SD-CD2 3.79Å; M574-W617 HydrophobicContact SD-CE3 4.47Å; M574-W617 HydrophobicContact SD-CG 3.62Å
575K95.1Very high95.2Very high48 Ų4829.2 Ų29.221%0.20914%0.135CC..Hα-helixtrans-59.8-39-165.7-66.9-158.2-162.41640113.6P520 G522 V523 A572 F578 F579P520-K575 HydrophobicContact CB-CB 3.74Å; G522-K575 WeakPolarHBondContact O-CD 3.37Å; G522-K575 VanDerWaalsContact O-CE 3.25Å; G522-K575 WeakPolarHBondContact O-CE 3.36Å; G522-K575 PolarHBondContact O-NZ 2.92Å; V523-K575 PolarHBondContact O-NZ 3.4Å; A572-K575 PolarHBondContact O-N 2.9Å; K575-F578 PolarHBondContact O-N 3.47Å; K575-F579 WeakPolarHBondContact O-CB 3.32Å; K575-F579 PolarHBondContact O-N 3.36Å
576T96.6Very high94.9Very high7 Ų737.9 Ų37.94%0.04317%0.167CC..Hα-helixtrans-67.6-45.2177.7-58.10000111.7T543 M574 F578 F579 L580 L602T543-T576 WeakPolarHBondContact CB-OG1 3.3Å; T543-T576 WeakPolarHBondContact OG1-CB 3.06Å; T543-T576 WeakPolarHBondContact OG1-CG2 3.5Å; T543-T576 PolarHBondContact OG1-OG1 3.45Å; M574-T576 VanDerWaalsContact C-N 3.32Å; M574-T576 PolarHBondContact O-N 2.93Å; T576-F578 VanDerWaalsContact C-N 3.28Å; T576-F578 PolarHBondContact O-N 3.36Å; T576-F579 PolarHBondContact O-N 2.94Å; T576-L580 HydrophobicContact CG2-CD1 4.02Å; T576-L580 HydrophobicContact CG2-CG 4.37Å; T576-L580 VanDerWaalsContact O-CG 3.31Å; T576-L580 WeakPolarHBondContact O-CG 3.5Å; T576-L580 PolarHBondContact O-N 3.07Å; T576-L602 HydrophobicContact CG2-CD1 4.1Å
577A96.4Very high94.6Very high1 Ų139.6 Ų39.61%0.00818%0.178CC..Hα-helixtrans-61.1-40.317800000111.3M574 F581 S599 L602 Y603M574-A577 PolarHBondContact O-N 3.37Å; M574-A577 VanDerWaalsContact O-N 3.12Å; A577-F581 WeakPolarHBondContact O-CB 3.28Å; A577-F581 PolarHBondContact O-N 3.37Å; A577-F581 VanDerWaalsContact O-N 3.07Å; A577-S599 WeakPolarHBondContact O-CB 3.44Å; A577-S599 PolarHBondContact O-OG 3.04Å; A577-L602 HydrophobicContact CB-CB 3.78Å; A577-L602 HydrophobicContact CB-CD1 4.3Å; A577-Y603 HydrophobicContact CB-CD1 3.8Å; A577-Y603 HydrophobicContact CB-CD2 3.83Å; A577-Y603 HydrophobicContact CB-CE1 3.69Å; A577-Y603 HydrophobicContact CB-CE2 3.74Å; A577-Y603 HydrophobicContact CB-CG 3.86Å
578F96.2Very high94.1Very high108 Ų10845.1 Ų45.147%0.47420%0.204SC..Hα-helixtrans-65.4-45.8175-176.4-97.3000112.9M574 K575 T576 L580 F581 D582 Y603M574-F578 PolarHBondContact O-N 3.34Å; K575-F578 PolarHBondContact O-N 3.47Å; T576-F578 VanDerWaalsContact C-N 3.28Å; T576-F578 PolarHBondContact O-N 3.36Å; F578-L580 VanDerWaalsContact C-N 3.34Å; F578-L580 PolarHBondContact O-N 3.23Å; F578-F581 WeakPolarHBondContact O-CB 3.37Å; F578-F581 PolarHBondContact O-N 2.88Å; F578-D582 PolarHBondContact O-N 3.39Å; F578-Y603 WeakPolarHBondContact CA-OH 3.49Å; F578-Y603 VanDerWaalsContact CB-OH 3.3Å; F578-Y603 WeakPolarHBondContact CB-OH 3.15Å; F578-Y603 PolarHBondContact N-OH 3.37Å
579F96.3Very high93.4Very high38 Ų3845.8 Ų45.817%0.16722%0.222CC..Hα-helixtrans-60-43.4177171.8-100.1000112.3R518 W519 P520 F534 K575 T576 F581 D582 L583R518-F579 VanDerWaalsContact O-CE2 3.22Å; R518-F579 WeakPolarHBondContact O-CE2 3.26Å; W519-F579 AromaticContact CD1-CZ 3.71Å; W519-F579 HydrophobicContact CG-CZ 4.35Å; P520-F579 VanDerWaalsContact CD-CG 3.41Å; P520-F579 HydrophobicContact CG-CB 3.52Å; P520-F579 HydrophobicContact CG-CD1 4.2Å; P520-F579 HydrophobicContact CG-CG 3.84Å; F534-F579 HydrophobicContact CD1-CE1 4.47Å; F534-F579 AromaticContact CE1-CE1 3.79Å; F534-F579 HydrophobicContact CE1-CE1 3.79Å; F534-F579 AromaticContact CE2-CE1 3.88Å; F534-F579 HydrophobicContact CE2-CE1 3.88Å; F534-F579 HydrophobicContact CZ-CD1 4.18Å; F534-F579 AromaticContact CZ-CE1 3.48Å; F534-F579 HydrophobicContact CZ-CE1 3.48Å; F534-F579 VanDerWaalsContact CZ-CE1 3.48Å; F534-F579 HydrophobicContact CZ-CZ 4.48Å; K575-F579 WeakPolarHBondContact O-CB 3.32Å; K575-F579 PolarHBondContact O-N 3.36Å; T576-F579 PolarHBondContact O-N 2.94Å; F579-F581 VanDerWaalsContact C-N 3.3Å; F579-F581 PolarHBondContact O-N 3.5Å; F579-D582 PolarHBondContact O-N 3.26Å; F579-L583 HydrophobicContact CE1-CD2 4.4Å; F579-L583 VanDerWaalsContact O-CB 3.31Å; F579-L583 WeakPolarHBondContact O-CB 3.42Å; F579-L583 PolarHBondContact O-N 3.35Å
580L96.6Very high92.3Very high0 Ų054.7 Ų54.70%026%0.264CS..Hα-helixtrans-65.4-35.1176.8-68.3172.1000112.3F534 P536 A540 T576 F578 A584 L595 L598 L602F534-L580 HydrophobicContact CE1-CD2 3.8Å; F534-L580 HydrophobicContact CZ-CD2 3.97Å; P536-L580 HydrophobicContact CB-CD2 3.89Å; A540-L580 HydrophobicContact CB-CD1 4.28Å; T576-L580 HydrophobicContact CG2-CD1 4.02Å; T576-L580 HydrophobicContact CG2-CG 4.37Å; T576-L580 VanDerWaalsContact O-CG 3.31Å; T576-L580 WeakPolarHBondContact O-CG 3.5Å; T576-L580 PolarHBondContact O-N 3.07Å; F578-L580 VanDerWaalsContact C-N 3.34Å; F578-L580 PolarHBondContact O-N 3.23Å; L580-A584 WeakPolarHBondContact O-CB 3.36Å; L580-A584 PolarHBondContact O-N 2.94Å; L580-L595 HydrophobicContact CD2-CD2 4.01Å; L580-L598 HydrophobicContact CD1-CB 4.37Å; L580-L598 HydrophobicContact CD1-CD2 3.57Å; L580-L598 HydrophobicContact CD1-CG 3.7Å; L580-L598 HydrophobicContact CD2-CD2 4.29Å; L580-L602 HydrophobicContact CD1-CD1 3.74Å
581F96Very high91.7Very high27 Ų2756.2 Ų56.212%0.11828%0.282CS..Hα-helixtrans-62.8-50.5173.1-177.3-87.1000111.6A577 F578 F579 L583 A584 E585 F596 S599 L623 A624 R627A577-F581 WeakPolarHBondContact O-CB 3.28Å; A577-F581 PolarHBondContact O-N 3.37Å; A577-F581 VanDerWaalsContact O-N 3.07Å; F578-F581 WeakPolarHBondContact O-CB 3.37Å; F578-F581 PolarHBondContact O-N 2.88Å; F579-F581 VanDerWaalsContact C-N 3.3Å; F579-F581 PolarHBondContact O-N 3.5Å; F581-L583 VanDerWaalsContact C-N 3.33Å; F581-L583 PolarHBondContact O-N 3.38Å; F581-A584 WeakPolarHBondContact O-CB 3.43Å; F581-A584 PolarHBondContact O-N 3.2Å; F581-A584 VanDerWaalsContact O-N 3.16Å; F581-E585 HydrophobicContact CD1-CG 4.44Å; F581-E585 HydrophobicContact CE1-CG 4.1Å; F581-E585 PolarHBondContact O-N 3.01Å; F581-E585 VanDerWaalsContact O-N 3.08Å; F581-F596 AromaticContact CD2-CD1 3.88Å; F581-F596 HydrophobicContact CD2-CD1 3.88Å; F581-F596 AromaticContact CD2-CE1 3.81Å; F581-F596 HydrophobicContact CD2-CE1 3.81Å; F581-F596 HydrophobicContact CE2-CD1 4.12Å; F581-F596 AromaticContact CE2-CE1 3.8Å; F581-F596 HydrophobicContact CE2-CE1 3.8Å; F581-F596 HydrophobicContact CG-CE1 4.3Å; F581-F596 HydrophobicContact CZ-CE1 4.28Å; F581-S599 WeakPolarHBondContact CB-OG 3.25Å; F581-L623 HydrophobicContact CE2-CB 4.38Å; F581-L623 HydrophobicContact CZ-CB 4.26Å; F581-A624 HydrophobicContact CD2-CB 4.39Å; F581-R627 HydrophobicContact CE2-CB 3.86Å; F581-R627 HydrophobicContact CE2-CG 3.44Å; F581-R627 VanDerWaalsContact CE2-CG 3.44Å; F581-R627 HydrophobicContact CZ-CB 4.35Å; F581-R627 HydrophobicContact CZ-CG 3.44Å; F581-R627 VanDerWaalsContact CZ-CG 3.44Å
582D95.2Very high91.6Very high48 Ų4856.3 Ų56.326%0.25728%0.281SS..Hα-helixtrans-64.5-38.2178.6176.663.6000111.7F578 F579 A584 E585 R586F578-D582 PolarHBondContact O-N 3.39Å; F579-D582 PolarHBondContact O-N 3.26Å; D582-A584 VanDerWaalsContact C-N 3.31Å; D582-A584 PolarHBondContact O-N 2.89Å; D582-E585 PolarHBondContact O-N 3.38Å; D582-R586 VanDerWaalsContact CG-NH2 3.32Å; D582-R586 WeakPolarHBondContact O-CG 3.28Å; D582-R586 PolarHBondContact O-N 3.12Å; D582-R586 IonicContact OD1-CZ 2.7Å; D582-R586 IonicContact OD1-NE 3.66Å; D582-R586 PolarHBondContact OD1-NE 2.89Å; D582-R586 IonicContact OD1-NH2 2.91Å; D582-R586 PolarHBondContact OD1-NH2 3.17Å; D582-R586 IonicContact OD2-CZ 3.52Å; D582-R586 IonicContact OD2-NE 3.17Å; D582-R586 PolarHBondContact OD2-NE 2.9Å; D582-R586 VanDerWaalsContact OD2-NE 3.13Å; D582-R586 IonicContact OD2-NH1 3.04Å; D582-R586 IonicContact OD2-NH2 3.61Å; D582-R586 PolarHBondContact OD2-NH2 3.44Å
583L93.9Very high91.3Very high47 Ų4756.8 Ų56.825%0.24629%0.286CS..Hα-helixtrans-61.4-40172.9-174.463.6000111.6F534 F579 F581 R586 T587 L595F534-L583 HydrophobicContact CD1-CD2 3.6Å; F534-L583 HydrophobicContact CE1-CD2 3.6Å; F579-L583 HydrophobicContact CE1-CD2 4.4Å; F579-L583 VanDerWaalsContact O-CB 3.31Å; F579-L583 WeakPolarHBondContact O-CB 3.42Å; F579-L583 PolarHBondContact O-N 3.35Å; F581-L583 VanDerWaalsContact C-N 3.33Å; F581-L583 PolarHBondContact O-N 3.38Å; L583-R586 PolarHBondContact O-N 3.32Å; L583-T587 WeakPolarHBondContact O-CB 3.15Å; L583-T587 PolarHBondContact O-N 2.84Å; L583-T587 PolarHBondContact O-OG1 3.01Å; L583-L595 HydrophobicContact CB-CD1 4.47Å; L583-L595 HydrophobicContact CD2-CD1 4.15Å; L583-L595 HydrophobicContact CD2-CD2 4.06Å; L583-L595 HydrophobicContact CG-CD1 3.93Å
584A94.2Very high91.1Very high0 Ų058.7 Ų58.70%029%0.293CS..Hα-helixtrans-63.1-41.517600000112.1L580 F581 D582 R586 T587 K592 L595 F596L580-A584 WeakPolarHBondContact O-CB 3.36Å; L580-A584 PolarHBondContact O-N 2.94Å; F581-A584 WeakPolarHBondContact O-CB 3.43Å; F581-A584 PolarHBondContact O-N 3.2Å; F581-A584 VanDerWaalsContact O-N 3.16Å; D582-A584 VanDerWaalsContact C-N 3.31Å; D582-A584 PolarHBondContact O-N 2.89Å; A584-R586 PolarHBondContact O-N 3.27Å; A584-T587 PolarHBondContact O-N 2.73Å; A584-K592 WeakPolarHBondContact O-CE 3.37Å; A584-K592 WeakPolarHBondContact O-CG 3.45Å; A584-L595 HydrophobicContact CB-CB 3.53Å; A584-L595 HydrophobicContact CB-CD1 4.33Å; A584-F596 HydrophobicContact CB-CD1 3.58Å; A584-F596 HydrophobicContact CB-CD2 3.98Å; A584-F596 HydrophobicContact CB-CE1 3.52Å; A584-F596 HydrophobicContact CB-CE2 3.95Å; A584-F596 HydrophobicContact CB-CG 3.8Å; A584-F596 HydrophobicContact CB-CZ 3.71Å
585E92.9Very high91.2Very high63 Ų6359 Ų5929%0.29429%0.294SS..Hα-helixtrans-58.8-39.1177.8-76.1-67.8172.100112F581 D582 K592 F596 R627F581-E585 HydrophobicContact CD1-CG 4.44Å; F581-E585 HydrophobicContact CE1-CG 4.1Å; F581-E585 PolarHBondContact O-N 3.01Å; F581-E585 VanDerWaalsContact O-N 3.08Å; D582-E585 PolarHBondContact O-N 3.38Å; E585-K592 PolarHBondContact O-NZ 2.9Å; E585-F596 HydrophobicContact CG-CE1 4.31Å; E585-F596 HydrophobicContact CG-CZ 4.11Å; E585-R627 WeakPolarHBondContact OE1-CD 3.3Å; E585-R627 IonicContact OE1-CZ 2.66Å; E585-R627 IonicContact OE1-NE 3.44Å; E585-R627 PolarHBondContact OE1-NE 2.9Å; E585-R627 IonicContact OE1-NH2 3.35Å
586R90.9Very high91.1Very high182 Ų18256.9 Ų56.969%0.68729%0.285SS*.Hα-helixtrans-82.3-18-179.8-59.8174.3-165.1-158.73.2113.8D582 L583 A584D582-R586 VanDerWaalsContact CG-NH2 3.32Å; D582-R586 WeakPolarHBondContact O-CG 3.28Å; D582-R586 PolarHBondContact O-N 3.12Å; D582-R586 IonicContact OD1-CZ 2.7Å; D582-R586 IonicContact OD1-NE 3.66Å; D582-R586 PolarHBondContact OD1-NE 2.89Å; D582-R586 IonicContact OD1-NH2 2.91Å; D582-R586 PolarHBondContact OD1-NH2 3.17Å; D582-R586 IonicContact OD2-CZ 3.52Å; D582-R586 IonicContact OD2-NE 3.17Å; D582-R586 PolarHBondContact OD2-NE 2.9Å; D582-R586 VanDerWaalsContact OD2-NE 3.13Å; D582-R586 IonicContact OD2-NH1 3.04Å; D582-R586 IonicContact OD2-NH2 3.61Å; D582-R586 PolarHBondContact OD2-NH2 3.44Å; L583-R586 PolarHBondContact O-N 3.32Å; A584-R586 PolarHBondContact O-N 3.27Å
587T89.3Confident90.9Very high37 Ų3758 Ų5823%0.22729%0.29CS..  trans-86145.3-178.5-590000111.1L583 A584 K592 L595L583-T587 WeakPolarHBondContact O-CB 3.15Å; L583-T587 PolarHBondContact O-N 2.84Å; L583-T587 PolarHBondContact O-OG1 3.01Å; A584-T587 PolarHBondContact O-N 2.73Å; T587-K592 WeakPolarHBondContact O-CD 3.39Å; T587-L595 HydrophobicContact CG2-CD1 4.33Å
588Q84.3Confident90.8Very high160 Ų16059.1 Ų59.175%0.74830%0.296SS*.  trans-114.9152.5174.6-61.9-67.5-12.500110.4
589G81.1Confident90.8Very high57 Ų5754 Ų5459%0.58827%0.273SS*.SBendtrans83.2-161.3176.800000114.9G591 K592G589-G591 VanDerWaalsContact C-N 3.3Å; G589-G591 PolarHBondContact O-N 3.37Å; G589-K592 VanDerWaalsContact O-CB 3.26Å; G589-K592 WeakPolarHBondContact O-CB 3.42Å; G589-K592 PolarHBondContact O-N 3.27Å; G589-K592 VanDerWaalsContact O-N 3.1Å
590E72.4Confident90.8Very high188 Ų18852.3 Ų52.388%0.87927%0.266SS*.Hα-helixtrans-61.7-31-169-66.5-176.5168.300114.1K592E590-K592 PolarHBondContact O-N 3.23Å
591G82.9Confident90.7Very high39 Ų3954.2 Ų54.240%0.40228%0.277SS..Hα-helixtrans-64.7-22.4177.100000114.2G589 R594 L595G589-G591 VanDerWaalsContact C-N 3.3Å; G589-G591 PolarHBondContact O-N 3.37Å; G591-R594 PolarHBondContact O-N 2.79Å; G591-L595 WeakPolarHBondContact O-CG 3.46Å; G591-L595 PolarHBondContact O-N 3.4Å; G591-L595 VanDerWaalsContact O-N 3.16Å
592K90.6Very high90.6Very high48 Ų4853.5 Ų53.521%0.20928%0.275CS..Hα-helixtrans-63.4-47.5179.9179.6171.6-163.1139.40112.4A584 E585 T587 G589 E590 R594 L595 F596A584-K592 WeakPolarHBondContact O-CE 3.37Å; A584-K592 WeakPolarHBondContact O-CG 3.45Å; E585-K592 PolarHBondContact O-NZ 2.9Å; T587-K592 WeakPolarHBondContact O-CD 3.39Å; G589-K592 VanDerWaalsContact O-CB 3.26Å; G589-K592 WeakPolarHBondContact O-CB 3.42Å; G589-K592 PolarHBondContact O-N 3.27Å; G589-K592 VanDerWaalsContact O-N 3.1Å; E590-K592 PolarHBondContact O-N 3.23Å; K592-R594 VanDerWaalsContact C-N 3.31Å; K592-R594 PolarHBondContact O-N 3.42Å; K592-L595 PolarHBondContact O-N 3.38Å; K592-F596 HydrophobicContact CD-CE2 4.21Å; K592-F596 VanDerWaalsContact CE-CE2 3.5Å; K592-F596 HydrophobicContact CG-CD2 4.04Å; K592-F596 HydrophobicContact CG-CE2 3.76Å; K592-F596 WeakPolarHBondContact O-CD2 3.4Å; K592-F596 PolarHBondContact O-N 3.45Å
593A88.6Confident90.7Very high17 Ų1751.3 Ų51.314%0.1426%0.263CS..Hα-helixtrans-62.9-42.1-178.100000110.9L595 F596 E597 Q633A593-L595 PolarHBondContact O-N 2.62Å; A593-F596 PolarHBondContact O-N 3.09Å; A593-E597 PolarHBondContact O-N 3.28Å; A593-Q633 HydrophobicContact CB-CB 4.32Å; A593-Q633 HydrophobicContact CB-CG 4.04Å
594R90.6Very high90.7Very high111 Ų11151.9 Ų51.942%0.41926%0.263SS..Hα-helixtrans-62.8-39.4178.5-175.556.8176.6179.21.2113.2E537 G591 K592 E597 L598E537-R594 IonicContact OE1-CZ 3.16Å; E537-R594 IonicContact OE1-NE 3.37Å; E537-R594 PolarHBondContact OE1-NE 3.19Å; E537-R594 VanDerWaalsContact OE1-NE 3.12Å; E537-R594 IonicContact OE1-NH2 3.68Å; G591-R594 PolarHBondContact O-N 2.79Å; K592-R594 VanDerWaalsContact C-N 3.31Å; K592-R594 PolarHBondContact O-N 3.42Å; R594-E597 VanDerWaalsContact CD-OE2 3.28Å; R594-E597 WeakPolarHBondContact CD-OE2 3.43Å; R594-E597 IonicContact CZ-OE2 3.87Å; R594-E597 IonicContact NE-OE2 3.73Å; R594-E597 VanDerWaalsContact NH1-CD 3.3Å; R594-E597 IonicContact NH1-OE1 3.53Å; R594-E597 PolarHBondContact NH1-OE1 2.89Å; R594-E597 IonicContact NH1-OE2 3.51Å; R594-E597 PolarHBondContact NH1-OE2 2.85Å; R594-E597 WeakPolarHBondContact O-CB 3.3Å; R594-E597 PolarHBondContact O-N 2.55Å; R594-L598 PolarHBondContact O-N 3.43Å
595L94.1Very high90.7Very high13 Ų1355 Ų557%0.06828%0.278CS..Hα-helixtrans-66.7-40.9176.9-71.7169.5000112.2P536 L580 L583 A584 T587 G591 K592 A593 E597 L598 S599P536-L595 HydrophobicContact CB-CD2 3.66Å; P536-L595 HydrophobicContact CG-CD2 3.52Å; L580-L595 HydrophobicContact CD2-CD2 4.01Å; L583-L595 HydrophobicContact CB-CD1 4.47Å; L583-L595 HydrophobicContact CD2-CD1 4.15Å; L583-L595 HydrophobicContact CD2-CD2 4.06Å; L583-L595 HydrophobicContact CG-CD1 3.93Å; A584-L595 HydrophobicContact CB-CB 3.53Å; A584-L595 HydrophobicContact CB-CD1 4.33Å; T587-L595 HydrophobicContact CG2-CD1 4.33Å; G591-L595 WeakPolarHBondContact O-CG 3.46Å; G591-L595 PolarHBondContact O-N 3.4Å; G591-L595 VanDerWaalsContact O-N 3.16Å; K592-L595 PolarHBondContact O-N 3.38Å; A593-L595 PolarHBondContact O-N 2.62Å; L595-E597 VanDerWaalsContact C-N 3.32Å; L595-L598 PolarHBondContact O-N 3.08Å; L595-S599 WeakPolarHBondContact O-CB 3.38Å; L595-S599 PolarHBondContact O-N 3.02Å
596F94.3Very high90.7Very high4 Ų453.5 Ų53.52%0.01827%0.271CS..Hα-helixtrans-63.7-38.3173.1-76.3-50.3000112.3F581 A584 E585 K592 A593 S599 Y600 R627 L628F581-F596 AromaticContact CD2-CD1 3.88Å; F581-F596 HydrophobicContact CD2-CD1 3.88Å; F581-F596 AromaticContact CD2-CE1 3.81Å; F581-F596 HydrophobicContact CD2-CE1 3.81Å; F581-F596 HydrophobicContact CE2-CD1 4.12Å; F581-F596 AromaticContact CE2-CE1 3.8Å; F581-F596 HydrophobicContact CE2-CE1 3.8Å; F581-F596 HydrophobicContact CG-CE1 4.3Å; F581-F596 HydrophobicContact CZ-CE1 4.28Å; A584-F596 HydrophobicContact CB-CD1 3.58Å; A584-F596 HydrophobicContact CB-CD2 3.98Å; A584-F596 HydrophobicContact CB-CE1 3.52Å; A584-F596 HydrophobicContact CB-CE2 3.95Å; A584-F596 HydrophobicContact CB-CG 3.8Å; A584-F596 HydrophobicContact CB-CZ 3.71Å; E585-F596 HydrophobicContact CG-CE1 4.31Å; E585-F596 HydrophobicContact CG-CZ 4.11Å; K592-F596 HydrophobicContact CD-CE2 4.21Å; K592-F596 VanDerWaalsContact CE-CE2 3.5Å; K592-F596 HydrophobicContact CG-CD2 4.04Å; K592-F596 HydrophobicContact CG-CE2 3.76Å; K592-F596 WeakPolarHBondContact O-CD2 3.4Å; K592-F596 PolarHBondContact O-N 3.45Å; A593-F596 PolarHBondContact O-N 3.09Å; F596-S599 PolarHBondContact O-N 3.29Å; F596-Y600 VanDerWaalsContact O-CB 3.3Å; F596-Y600 WeakPolarHBondContact O-CB 3.32Å; F596-Y600 PolarHBondContact O-N 3.49Å; F596-R627 HydrophobicContact CD1-CB 3.71Å; F596-R627 HydrophobicContact CD1-CG 4.5Å; F596-R627 HydrophobicContact CD2-CB 4.33Å; F596-R627 HydrophobicContact CE1-CB 3.51Å; F596-R627 HydrophobicContact CE1-CG 3.87Å; F596-R627 HydrophobicContact CE2-CB 4.12Å; F596-R627 HydrophobicContact CG-CB 4.14Å; F596-R627 HydrophobicContact CZ-CB 3.73Å; F596-R627 HydrophobicContact CZ-CG 4.05Å; F596-L628 HydrophobicContact CB-CB 4.49Å; F596-L628 HydrophobicContact CB-CD1 4.18Å
597E93.1Very high90.9Very high31 Ų3145.1 Ų45.115%0.14524%0.24CC..Hα-helixtrans-60.3-47.5175.1-166-173.6-17900112A593 R594 L595 Y600 T601 L628 Q633 Y636A593-E597 PolarHBondContact O-N 3.28Å; R594-E597 VanDerWaalsContact CD-OE2 3.28Å; R594-E597 WeakPolarHBondContact CD-OE2 3.43Å; R594-E597 IonicContact CZ-OE2 3.87Å; R594-E597 IonicContact NE-OE2 3.73Å; R594-E597 VanDerWaalsContact NH1-CD 3.3Å; R594-E597 IonicContact NH1-OE1 3.53Å; R594-E597 PolarHBondContact NH1-OE1 2.89Å; R594-E597 IonicContact NH1-OE2 3.51Å; R594-E597 PolarHBondContact NH1-OE2 2.85Å; R594-E597 WeakPolarHBondContact O-CB 3.3Å; R594-E597 PolarHBondContact O-N 2.55Å; L595-E597 VanDerWaalsContact C-N 3.32Å; E597-Y600 PolarHBondContact O-N 2.92Å; E597-T601 WeakPolarHBondContact O-CB 3.27Å; E597-T601 PolarHBondContact O-N 3.36Å; E597-T601 PolarHBondContact O-OG1 3.39Å; E597-L628 HydrophobicContact CB-CD1 4.25Å; E597-Q633 VanDerWaalsContact CB-OE1 3.31Å; E597-Q633 PolarHBondContact OE2-NE2 3.18Å; E597-Y636 HydrophobicContact CG-CE2 3.82Å
598L94.1Very high91.1Very high24 Ų2449.8 Ų49.813%0.12626%0.26CS..Hα-helixtrans-65-43.4179.9-17262000110.9P536 E537 A540 L580 R594 L595 T601 L602P536-L598 HydrophobicContact CB-CD2 3.76Å; E537-L598 HydrophobicContact CG-CD2 4.42Å; A540-L598 HydrophobicContact CB-CD1 3.92Å; A540-L598 HydrophobicContact CB-CD2 3.86Å; A540-L598 HydrophobicContact CB-CG 4.05Å; L580-L598 HydrophobicContact CD1-CB 4.37Å; L580-L598 HydrophobicContact CD1-CD2 3.57Å; L580-L598 HydrophobicContact CD1-CG 3.7Å; L580-L598 HydrophobicContact CD2-CD2 4.29Å; R594-L598 PolarHBondContact O-N 3.43Å; L595-L598 PolarHBondContact O-N 3.08Å; L598-T601 PolarHBondContact O-N 2.87Å; L598-L602 WeakPolarHBondContact O-CG 3.09Å; L598-L602 PolarHBondContact O-N 2.96Å
599S95.7Very high91.4Very high0 Ų045.4 Ų45.40%025%0.251CS..Hα-helixtrans-59.4-50174.3179.30000112A577 F581 L595 F596 T601 L602 Y603A577-S599 WeakPolarHBondContact O-CB 3.44Å; A577-S599 PolarHBondContact O-OG 3.04Å; F581-S599 WeakPolarHBondContact CB-OG 3.25Å; L595-S599 WeakPolarHBondContact O-CB 3.38Å; L595-S599 PolarHBondContact O-N 3.02Å; F596-S599 PolarHBondContact O-N 3.29Å; S599-T601 PolarHBondContact O-N 3.43Å; S599-L602 PolarHBondContact O-N 2.96Å; S599-Y603 WeakPolarHBondContact O-CD2 3.34Å; S599-Y603 PolarHBondContact O-N 3.12Å; S599-Y603 VanDerWaalsContact OG-CE2 3.27Å; S599-Y603 WeakPolarHBondContact OG-CE2 3.31Å
600Y95.4Very high91.8Very high3 Ų345.7 Ų45.71%0.01224%0.237CC..Hα-helixtrans-57.8-46.1176.6165.3-106000112F596 E597 L602 Y603 K604 L621 C625 L628 Y636 L641F596-Y600 VanDerWaalsContact O-CB 3.3Å; F596-Y600 WeakPolarHBondContact O-CB 3.32Å; F596-Y600 PolarHBondContact O-N 3.49Å; E597-Y600 PolarHBondContact O-N 2.92Å; Y600-L602 PolarHBondContact O-N 3.01Å; Y600-Y603 PolarHBondContact O-N 3.39Å; Y600-K604 HydrophobicContact CE1-CD 4.29Å; Y600-K604 HydrophobicContact CE2-CB 4.5Å; Y600-K604 HydrophobicContact CE2-CD 4.49Å; Y600-K604 VanDerWaalsContact O-CB 3.27Å; Y600-K604 WeakPolarHBondContact O-CB 3.29Å; Y600-K604 PolarHBondContact O-N 3.27Å; Y600-L621 HydrophobicContact CD2-CD1 3.95Å; Y600-L621 HydrophobicContact CE2-CD1 4.06Å; Y600-C625 WeakPolarHBondContact CE2-SG 3.41Å; Y600-L628 HydrophobicContact CD1-CD2 3.59Å; Y600-L628 HydrophobicContact CE1-CD2 4.26Å; Y600-L628 HydrophobicContact CG-CD2 3.72Å; Y600-Y636 HydrophobicContact CD1-CE1 4.27Å; Y600-Y636 HydrophobicContact CE1-CD1 4.19Å; Y600-Y636 AromaticContact CE1-CE1 3.7Å; Y600-Y636 HydrophobicContact CE1-CE1 3.7Å; Y600-L641 HydrophobicContact CE1-CD2 4.47Å; Y600-L641 HydrophobicContact CE2-CD2 4.16Å
601T94.5Very high92.4Very high40 Ų4042.4 Ų42.425%0.24524%0.235CC..Hα-helixtrans-60-47-179.7-58.80000111E597 L598 S599 K604 E605E597-T601 WeakPolarHBondContact O-CB 3.27Å; E597-T601 PolarHBondContact O-N 3.36Å; E597-T601 PolarHBondContact O-OG1 3.39Å; L598-T601 PolarHBondContact O-N 2.87Å; S599-T601 PolarHBondContact O-N 3.43Å; T601-K604 PolarHBondContact O-N 3.02Å; T601-E605 WeakPolarHBondContact CG2-OE1 3.11Å; T601-E605 VanDerWaalsContact O-CG 3.31Å; T601-E605 WeakPolarHBondContact O-CG 3.2Å; T601-E605 PolarHBondContact O-N 3.02Å
602L95.6Very high92.7Very high11 Ų1146.5 Ų46.56%0.05824%0.244CC..Hα-helixtrans-63.3-47.4176.9-69.7174.1000112.1A540 R544 T576 A577 L580 L598 S599 Y600 K604 E605 I606A540-L602 HydrophobicContact CB-CD1 3.92Å; A540-L602 HydrophobicContact CB-CD2 4.44Å; R544-L602 HydrophobicContact CG-CD2 4.38Å; T576-L602 HydrophobicContact CG2-CD1 4.1Å; A577-L602 HydrophobicContact CB-CB 3.78Å; A577-L602 HydrophobicContact CB-CD1 4.3Å; L580-L602 HydrophobicContact CD1-CD1 3.74Å; L598-L602 WeakPolarHBondContact O-CG 3.09Å; L598-L602 PolarHBondContact O-N 2.96Å; S599-L602 PolarHBondContact O-N 2.96Å; Y600-L602 PolarHBondContact O-N 3.01Å; L602-K604 VanDerWaalsContact C-N 3.32Å; L602-K604 PolarHBondContact O-N 2.9Å; L602-E605 PolarHBondContact O-N 2.66Å; L602-I606 VanDerWaalsContact O-CD1 3.29Å; L602-I606 WeakPolarHBondContact O-CD1 3.1Å; L602-I606 WeakPolarHBondContact O-CG1 3.28Å; L602-I606 PolarHBondContact O-N 3.42Å
603Y95.9Very high92.7Very high2 Ų245.7 Ų45.71%0.00824%0.239CC..Hα-helixtrans-58.4-46.5177.8-81.1-56.9000111.9M574 A577 F578 S599 Y600 I606 V607 N620 A624M574-Y603 HydrophobicContact CB-CE1 4.33Å; M574-Y603 HydrophobicContact CE-CD1 4.24Å; M574-Y603 HydrophobicContact CG-CE1 4.46Å; M574-Y603 HydrophobicContact SD-CD1 3.38Å; M574-Y603 WeakPolarHBondContact SD-CD1 3.3Å; M574-Y603 HydrophobicContact SD-CE1 3.39Å; M574-Y603 WeakPolarHBondContact SD-CE1 3.42Å; A577-Y603 HydrophobicContact CB-CD1 3.8Å; A577-Y603 HydrophobicContact CB-CD2 3.83Å; A577-Y603 HydrophobicContact CB-CE1 3.69Å; A577-Y603 HydrophobicContact CB-CE2 3.74Å; A577-Y603 HydrophobicContact CB-CG 3.86Å; F578-Y603 WeakPolarHBondContact CA-OH 3.49Å; F578-Y603 VanDerWaalsContact CB-OH 3.3Å; F578-Y603 WeakPolarHBondContact CB-OH 3.15Å; F578-Y603 PolarHBondContact N-OH 3.37Å; S599-Y603 WeakPolarHBondContact O-CD2 3.34Å; S599-Y603 PolarHBondContact O-N 3.12Å; S599-Y603 VanDerWaalsContact OG-CE2 3.27Å; S599-Y603 WeakPolarHBondContact OG-CE2 3.31Å; Y600-Y603 PolarHBondContact O-N 3.39Å; Y603-I606 PolarHBondContact O-N 3.02Å; Y603-V607 WeakPolarHBondContact O-CB 3.3Å; Y603-V607 WeakPolarHBondContact O-CG2 3.45Å; Y603-V607 PolarHBondContact O-N 3.34Å; Y603-N620 HydrophobicContact CD1-CB 4.22Å; Y603-N620 HydrophobicContact CE1-CB 3.58Å; Y603-N620 HydrophobicContact CE2-CB 4.4Å; Y603-A624 HydrophobicContact CD2-CB 3.69Å; Y603-A624 HydrophobicContact CE2-CB 4.16Å
604K94.6Very high92.9Very high60 Ų6045 Ų4526%0.26123%0.233SC..Hα-helixtrans-59.2-50.6-180-178.4179.3-178.4177.70111Y600 T601 L602 I606 V607 E608 L621Y600-K604 HydrophobicContact CE1-CD 4.29Å; Y600-K604 HydrophobicContact CE2-CB 4.5Å; Y600-K604 HydrophobicContact CE2-CD 4.49Å; Y600-K604 VanDerWaalsContact O-CB 3.27Å; Y600-K604 WeakPolarHBondContact O-CB 3.29Å; Y600-K604 PolarHBondContact O-N 3.27Å; T601-K604 PolarHBondContact O-N 3.02Å; L602-K604 VanDerWaalsContact C-N 3.32Å; L602-K604 PolarHBondContact O-N 2.9Å; K604-I606 VanDerWaalsContact C-N 3.31Å; K604-I606 PolarHBondContact O-N 2.75Å; K604-V607 PolarHBondContact O-N 2.79Å; K604-E608 VanDerWaalsContact CE-CD 3.41Å; K604-E608 WeakPolarHBondContact CE-OE1 3.44Å; K604-E608 WeakPolarHBondContact CE-OE2 3.46Å; K604-E608 VanDerWaalsContact CG-CD 3.48Å; K604-E608 HydrophobicContact CG-CG 4.18Å; K604-E608 WeakPolarHBondContact CG-OE1 3.39Å; K604-E608 IonicContact NZ-OE1 3.45Å; K604-E608 VanDerWaalsContact O-CB 3.28Å; K604-E608 WeakPolarHBondContact O-CB 3.49Å; K604-E608 VanDerWaalsContact O-CG 3.28Å; K604-E608 WeakPolarHBondContact O-CG 3.39Å; K604-E608 PolarHBondContact O-N 3.43Å; K604-L621 HydrophobicContact CB-CD1 4.27Å
605E94.2Very high92.9Very high66 Ų6641.2 Ų41.231%0.30822%0.223SC..Hα-helixtrans-58.7-43178.9-75.3171.7-171.900112.6R544 T601 L602 A609R544-E605 IonicContact CZ-OE1 3.06Å; R544-E605 IonicContact CZ-OE2 3.35Å; R544-E605 IonicContact NE-OE2 2.75Å; R544-E605 PolarHBondContact NE-OE2 3.24Å; R544-E605 IonicContact NH2-OE1 3.8Å; R544-E605 PolarHBondContact NH2-OE1 3.46Å; R544-E605 IonicContact NH2-OE2 2.84Å; R544-E605 PolarHBondContact NH2-OE2 2.71Å; T601-E605 WeakPolarHBondContact CG2-OE1 3.11Å; T601-E605 VanDerWaalsContact O-CG 3.31Å; T601-E605 WeakPolarHBondContact O-CG 3.2Å; T601-E605 PolarHBondContact O-N 3.02Å; L602-E605 PolarHBondContact O-N 2.66Å; E605-A609 WeakPolarHBondContact O-CB 3.49Å; E605-A609 PolarHBondContact O-N 3.28Å
606I93.6Very high92.8Very high30 Ų3042.9 Ų42.915%0.15423%0.232CC..Hα-helixtrans-71-40.5-176.9-60.9160.8000111.2R573 M574 L602 Y603 K604 W617R573-I606 HydrophobicContact CB-CG2 4.12Å; R573-I606 VanDerWaalsContact O-CD1 3.25Å; R573-I606 WeakPolarHBondContact O-CD1 3.12Å; M574-I606 HydrophobicContact CE-CB 3.39Å; M574-I606 HydrophobicContact CE-CD1 3.66Å; M574-I606 HydrophobicContact CE-CG1 4.12Å; M574-I606 HydrophobicContact CE-CG2 3.03Å; L602-I606 VanDerWaalsContact O-CD1 3.29Å; L602-I606 WeakPolarHBondContact O-CD1 3.1Å; L602-I606 WeakPolarHBondContact O-CG1 3.28Å; L602-I606 PolarHBondContact O-N 3.42Å; Y603-I606 PolarHBondContact O-N 3.02Å; K604-I606 VanDerWaalsContact C-N 3.31Å; K604-I606 PolarHBondContact O-N 2.75Å; I606-W617 HydrophobicContact CG2-CE3 3.96Å; I606-W617 HydrophobicContact CG2-CH2 3.48Å; I606-W617 VanDerWaalsContact CG2-CH2 3.48Å; I606-W617 HydrophobicContact CG2-CZ2 4.27Å; I606-W617 HydrophobicContact CG2-CZ3 3.33Å
607V94.3Very high92.8Very high6 Ų642.7 Ų42.74%0.03623%0.231CC..Hα-helixtrans-68.8-42.8177.1171.20000111.2Y603 K604 A609 Q610 Y613 W617 L621Y603-V607 WeakPolarHBondContact O-CB 3.3Å; Y603-V607 WeakPolarHBondContact O-CG2 3.45Å; Y603-V607 PolarHBondContact O-N 3.34Å; K604-V607 PolarHBondContact O-N 2.79Å; V607-A609 VanDerWaalsContact C-N 3.3Å; V607-A609 PolarHBondContact O-N 3.39Å; V607-Q610 PolarHBondContact O-N 2.68Å; V607-Y613 HydrophobicContact CG1-CE1 4.09Å; V607-Y613 HydrophobicContact CG1-CE2 4.28Å; V607-W617 HydrophobicContact CG2-CB 4.02Å; V607-W617 HydrophobicContact CG2-CE3 4.19Å; V607-L621 HydrophobicContact CB-CD2 3.95Å; V607-L621 HydrophobicContact CG1-CD2 3.97Å; V607-L621 HydrophobicContact CG2-CB 4.45Å; V607-L621 HydrophobicContact CG2-CD2 4Å
608E93.3Very high92.9Very high136 Ų13641.2 Ų41.264%0.63622%0.224SC*.Hα-helixtrans-71-24.6179.9-70.9179164.900112.9K604 Q610K604-E608 VanDerWaalsContact CE-CD 3.41Å; K604-E608 WeakPolarHBondContact CE-OE1 3.44Å; K604-E608 WeakPolarHBondContact CE-OE2 3.46Å; K604-E608 VanDerWaalsContact CG-CD 3.48Å; K604-E608 HydrophobicContact CG-CG 4.18Å; K604-E608 WeakPolarHBondContact CG-OE1 3.39Å; K604-E608 IonicContact NZ-OE1 3.45Å; K604-E608 VanDerWaalsContact O-CB 3.28Å; K604-E608 WeakPolarHBondContact O-CB 3.49Å; K604-E608 VanDerWaalsContact O-CG 3.28Å; K604-E608 WeakPolarHBondContact O-CG 3.39Å; K604-E608 PolarHBondContact O-N 3.43Å; E608-Q610 VanDerWaalsContact C-N 3.29Å; E608-Q610 PolarHBondContact O-N 2.98Å
609A90.8Very high93Very high68 Ų6841.4 Ų41.456%0.56222%0.224SC*.THydrogen-bonded Turntrans-76.7-9.4179.500000114.5E605 V607E605-A609 WeakPolarHBondContact O-CB 3.49Å; E605-A609 PolarHBondContact O-N 3.28Å; V607-A609 VanDerWaalsContact C-N 3.3Å; V607-A609 PolarHBondContact O-N 3.39Å
610Q89.6Confident92.9Very high63 Ų6342.7 Ų42.729%0.29423%0.231SC..  trans-131.9138.3-172.7-57.8-61.3-35.500111.1W570 V607 E608 Y613 W617W570-Q610 HydrophobicContact CH2-CB 4.27Å; W570-Q610 HydrophobicContact CH2-CG 3.95Å; W570-Q610 HydrophobicContact CZ3-CB 4.33Å; W570-Q610 HydrophobicContact CZ3-CG 4Å; V607-Q610 PolarHBondContact O-N 2.68Å; E608-Q610 VanDerWaalsContact C-N 3.29Å; E608-Q610 PolarHBondContact O-N 2.98Å; Q610-Y613 HydrophobicContact CB-CD1 4.19Å; Q610-Y613 WeakPolarHBondContact O-CD1 3.23Å; Q610-W617 HydrophobicContact CG-CZ3 4.35Å
611S84.9Confident93Very high119 Ų11942.6 Ų42.683%0.83223%0.231SC*.SBendtrans-82.7-33.5175.755.80000112.9
612E88.3Confident93Very high125 Ų12540.7 Ų40.758%0.58422%0.219SC*.SBendtrans-124.6132.8176.8-69-172.6179.800109.5W570W570-E612 VanDerWaalsContact CH2-O 3.27Å; W570-E612 WeakPolarHBondContact CH2-O 3.37Å
613Y91.7Very high93Very high31 Ų3142.6 Ų42.612%0.12223%0.229CC..  trans-160161.6-175.550.9-99.2000111.3V607 Q610 W617 D618V607-Y613 HydrophobicContact CG1-CE1 4.09Å; V607-Y613 HydrophobicContact CG1-CE2 4.28Å; Q610-Y613 HydrophobicContact CB-CD1 4.19Å; Q610-Y613 WeakPolarHBondContact O-CD1 3.23Å; Y613-W617 VanDerWaalsContact CB-CE3 3.44Å; Y613-W617 HydrophobicContact CD2-CB 3.85Å; Y613-W617 HydrophobicContact CD2-CD2 4.3Å; Y613-W617 AromaticContact CD2-CE3 3.97Å; Y613-W617 HydrophobicContact CD2-CE3 3.97Å; Y613-W617 HydrophobicContact CD2-CG 4.29Å; Y613-W617 HydrophobicContact CE2-CB 4.25Å; Y613-W617 HydrophobicContact CG-CD2 4.43Å; Y613-W617 AromaticContact CG-CE3 3.78Å; Y613-W617 HydrophobicContact CG-CE3 3.78Å; Y613-W617 HydrophobicContact CG-CZ3 4.27Å; Y613-D618 WeakPolarHBondContact CE2-OD1 3.45Å; Y613-D618 VanDerWaalsContact CE2-OD2 3.28Å; Y613-D618 WeakPolarHBondContact CE2-OD2 3.43Å; Y613-D618 PolarHBondContact OH-OD1 3.45Å
614P92.4Very high92.9Very high2 Ų242.5 Ų42.51%0.01323%0.229CC..  trans-53.4136.2176.6-27.833.7000113.4W570 N616 W617W570-P614 HydrophobicContact CB-CG 4.19Å; W570-P614 HydrophobicContact CE3-CG 4.37Å; P614-N616 WeakPolarHBondContact CB-OD1 3.28Å; P614-N616 PolarHBondContact O-N 3.16Å; P614-N616 VanDerWaalsContact O-N 3.16Å; P614-W617 HydrophobicContact CB-CG 4.45Å; P614-W617 HydrophobicContact CG-CZ2 4.43Å; P614-W617 WeakPolarHBondContact O-CB 3.37Å; P614-W617 PolarHBondContact O-N 2.82Å; P614-W617 VanDerWaalsContact O-N 3.1Å
615P90.9Very high92.8Very high31 Ų3139.7 Ų39.720%0.20122%0.216CC..THydrogen-bonded Turntrans-55.9-36.4-177.7-27.334.7000114W617 D618 Y652 K655 E656P615-W617 PolarHBondContact O-N 2.96Å; P615-D618 PolarHBondContact O-N 3.3Å; P615-D618 VanDerWaalsContact O-N 3.08Å; P615-Y652 HydrophobicContact CB-CD2 4.23Å; P615-Y652 HydrophobicContact CB-CE2 4.32Å; P615-Y652 VanDerWaalsContact O-CD2 3.3Å; P615-Y652 WeakPolarHBondContact O-CD2 3.31Å; P615-K655 HydrophobicContact CB-CB 3.89Å; P615-K655 HydrophobicContact CB-CD 4.11Å; P615-K655 HydrophobicContact CG-CB 4.01Å; P615-K655 HydrophobicContact CG-CD 4.25Å; P615-E656 HydrophobicContact CB-CG 3.65Å; P615-E656 HydrophobicContact CG-CG 3.97Å
616N92.2Very high92.8Very high49 Ų4937.6 Ų37.626%0.26221%0.207SC..Hα-helixtrans-58.9-19.5-179.365.8-29.2000113.9Q571 P614 K619 N620Q571-N616 PolarHBondContact OE1-ND2 3.14Å; P614-N616 WeakPolarHBondContact CB-OD1 3.28Å; P614-N616 PolarHBondContact O-N 3.16Å; P614-N616 VanDerWaalsContact O-N 3.16Å; N616-K619 PolarHBondContact O-N 3.49Å; N616-N620 WeakPolarHBondContact O-CB 3.31Å; N616-N620 VanDerWaalsContact O-CG 3.24Å; N616-N620 PolarHBondContact O-N 2.72Å; N616-N620 PolarHBondContact O-ND2 3.45Å
617W94.8Very high92.7Very high0 Ų039.5 Ų39.50%021%0.212CC..Hα-helixtrans-65.9-40.9175.5-67.519.5000112.2W570 R573 M574 I606 V607 Q610 Y613 P614 P615 K619 N620 L621W570-W617 AromaticContact CE3-CH2 3.33Å; W570-W617 HydrophobicContact CE3-CH2 3.33Å; W570-W617 AromaticContact CE3-CZ2 3.52Å; W570-W617 HydrophobicContact CE3-CZ2 3.52Å; W570-W617 HydrophobicContact CE3-CZ3 4.15Å; W570-W617 AromaticContact CZ3-CH2 3.43Å; W570-W617 HydrophobicContact CZ3-CH2 3.43Å; W570-W617 VanDerWaalsContact CZ3-CH2 3.43Å; W570-W617 HydrophobicContact CZ3-CZ2 4.09Å; W570-W617 AromaticContact CZ3-CZ3 3.86Å; W570-W617 HydrophobicContact CZ3-CZ3 3.86Å; W570-W617 WeakPolarHBondContact O-CZ2 3.3Å; R573-W617 HydrophobicContact CB-CH2 4.23Å; R573-W617 HydrophobicContact CB-CZ2 4.06Å; M574-W617 HydrophobicContact CE-CD2 3.45Å; M574-W617 VanDerWaalsContact CE-CD2 3.45Å; M574-W617 HydrophobicContact CE-CE3 3.6Å; M574-W617 HydrophobicContact CE-CG 3.94Å; M574-W617 HydrophobicContact CE-CH2 4.11Å; M574-W617 HydrophobicContact CE-CZ2 3.96Å; M574-W617 HydrophobicContact CE-CZ3 3.97Å; M574-W617 HydrophobicContact CG-CD2 3.99Å; M574-W617 HydrophobicContact CG-CG 3.9Å; M574-W617 HydrophobicContact CG-CZ2 4.17Å; M574-W617 HydrophobicContact SD-CB 4.13Å; M574-W617 HydrophobicContact SD-CD2 3.79Å; M574-W617 HydrophobicContact SD-CE3 4.47Å; M574-W617 HydrophobicContact SD-CG 3.62Å; I606-W617 HydrophobicContact CG2-CE3 3.96Å; I606-W617 HydrophobicContact CG2-CH2 3.48Å; I606-W617 VanDerWaalsContact CG2-CH2 3.48Å; I606-W617 HydrophobicContact CG2-CZ2 4.27Å; I606-W617 HydrophobicContact CG2-CZ3 3.33Å; V607-W617 HydrophobicContact CG2-CB 4.02Å; V607-W617 HydrophobicContact CG2-CE3 4.19Å; Q610-W617 HydrophobicContact CG-CZ3 4.35Å; Y613-W617 VanDerWaalsContact CB-CE3 3.44Å; Y613-W617 HydrophobicContact CD2-CB 3.85Å; Y613-W617 HydrophobicContact CD2-CD2 4.3Å; Y613-W617 AromaticContact CD2-CE3 3.97Å; Y613-W617 HydrophobicContact CD2-CE3 3.97Å; Y613-W617 HydrophobicContact CD2-CG 4.29Å; Y613-W617 HydrophobicContact CE2-CB 4.25Å; Y613-W617 HydrophobicContact CG-CD2 4.43Å; Y613-W617 AromaticContact CG-CE3 3.78Å; Y613-W617 HydrophobicContact CG-CE3 3.78Å; Y613-W617 HydrophobicContact CG-CZ3 4.27Å; P614-W617 HydrophobicContact CB-CG 4.45Å; P614-W617 HydrophobicContact CG-CZ2 4.43Å; P614-W617 WeakPolarHBondContact O-CB 3.37Å; P614-W617 PolarHBondContact O-N 2.82Å; P614-W617 VanDerWaalsContact O-N 3.1Å; P615-W617 PolarHBondContact O-N 2.96Å; W617-K619 VanDerWaalsContact C-N 3.34Å; W617-K619 PolarHBondContact O-N 3.4Å; W617-N620 PolarHBondContact O-N 2.99Å; W617-L621 WeakPolarHBondContact O-CB 3.49Å; W617-L621 PolarHBondContact O-N 3.2Å
618D95.3Very high92.5Very high0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-61.9-45.1176.4-73.6-53.2000110.3Y613 P615 N620 L621 A622 H648 L651 K655Y613-D618 WeakPolarHBondContact CE2-OD1 3.45Å; Y613-D618 VanDerWaalsContact CE2-OD2 3.28Å; Y613-D618 WeakPolarHBondContact CE2-OD2 3.43Å; Y613-D618 PolarHBondContact OH-OD1 3.45Å; P615-D618 PolarHBondContact O-N 3.3Å; P615-D618 VanDerWaalsContact O-N 3.08Å; D618-N620 VanDerWaalsContact C-N 3.35Å; D618-N620 PolarHBondContact O-N 2.73Å; D618-L621 PolarHBondContact O-N 2.95Å; D618-A622 WeakPolarHBondContact O-CB 3.44Å; D618-A622 PolarHBondContact O-N 3.07Å; D618-H648 HydrophobicContact CB-CB 4.14Å; D618-H648 WeakPolarHBondContact CB-O 3.39Å; D618-H648 WeakPolarHBondContact O-CB 3.47Å; D618-H648 IonicContact OD1-CE1 2.86Å; D618-H648 IonicContact OD1-CG 3.97Å; D618-H648 IonicContact OD1-ND1 3.41Å; D618-H648 PolarHBondContact OD1-ND1 3.18Å; D618-L651 HydrophobicContact CB-CB 4.49Å; D618-K655 IonicContact OD2-NZ 3.85Å; D618-K655 PolarHBondContact OD2-NZ 3.42Å
619K94.4Very high92.3Very high27 Ų2734.7 Ų34.712%0.11719%0.19CC..Hα-helixtrans-58.4-45.8176.2179.3178.4179.2175.70112N616 W617 A622 L623 F649 Y652 I665N616-K619 PolarHBondContact O-N 3.49Å; W617-K619 VanDerWaalsContact C-N 3.34Å; W617-K619 PolarHBondContact O-N 3.4Å; K619-A622 PolarHBondContact O-N 3.48Å; K619-L623 HydrophobicContact CG-CD1 4.28Å; K619-L623 WeakPolarHBondContact O-CG 3.47Å; K619-L623 PolarHBondContact O-N 2.96Å; K619-F649 HydrophobicContact CG-CE1 4.3Å; K619-Y652 HydrophobicContact CB-CD1 4.34Å; K619-Y652 HydrophobicContact CB-CD2 3.67Å; K619-Y652 HydrophobicContact CB-CE2 3.88Å; K619-Y652 HydrophobicContact CB-CG 3.87Å; K619-Y652 HydrophobicContact CD-CD1 4.42Å; K619-Y652 HydrophobicContact CD-CE1 3.92Å; K619-Y652 HydrophobicContact CD-CE2 3.98Å; K619-I665 HydrophobicContact CD-CD1 4.42Å
620N95.3Very high92.1Very high27 Ų2739.2 Ų39.214%0.14419%0.193CC..Hα-helixtrans-68.8-41-178.1-72.1-19.9000112.5Y603 N616 W617 D618 L623 A624Y603-N620 HydrophobicContact CD1-CB 4.22Å; Y603-N620 HydrophobicContact CE1-CB 3.58Å; Y603-N620 HydrophobicContact CE2-CB 4.4Å; N616-N620 WeakPolarHBondContact O-CB 3.31Å; N616-N620 VanDerWaalsContact O-CG 3.24Å; N616-N620 PolarHBondContact O-N 2.72Å; N616-N620 PolarHBondContact O-ND2 3.45Å; W617-N620 PolarHBondContact O-N 2.99Å; D618-N620 VanDerWaalsContact C-N 3.35Å; D618-N620 PolarHBondContact O-N 2.73Å; N620-L623 PolarHBondContact O-N 2.96Å; N620-A624 PolarHBondContact O-N 3.36Å
621L96.2Very high91.8Very high2 Ų237.7 Ų37.71%0.0119%0.189CC..Hα-helixtrans-63.7-41.5174.2176.355.7000111.4Y600 K604 V607 W617 D618 L623 A624 C625 H648Y600-L621 HydrophobicContact CD2-CD1 3.95Å; Y600-L621 HydrophobicContact CE2-CD1 4.06Å; K604-L621 HydrophobicContact CB-CD1 4.27Å; V607-L621 HydrophobicContact CB-CD2 3.95Å; V607-L621 HydrophobicContact CG1-CD2 3.97Å; V607-L621 HydrophobicContact CG2-CB 4.45Å; V607-L621 HydrophobicContact CG2-CD2 4Å; W617-L621 WeakPolarHBondContact O-CB 3.49Å; W617-L621 PolarHBondContact O-N 3.2Å; D618-L621 PolarHBondContact O-N 2.95Å; L621-L623 VanDerWaalsContact C-N 3.33Å; L621-L623 PolarHBondContact O-N 3.32Å; L621-A624 PolarHBondContact O-N 3.39Å; L621-C625 PolarHBondContact O-N 3.36Å; L621-C625 PolarHBondContact O-SG 2.96Å; L621-H648 WeakPolarHBondContact CD2-NE2 3.33Å
622A95.3Very high90.8Very high0 Ų036.1 Ų36.10%018%0.184CC..Hα-helixtrans-62.3-39.9177.300000112.7D618 K619 C625 E626 S645 H648 F649D618-A622 WeakPolarHBondContact O-CB 3.44Å; D618-A622 PolarHBondContact O-N 3.07Å; K619-A622 PolarHBondContact O-N 3.48Å; A622-C625 PolarHBondContact O-N 3.21Å; A622-E626 PolarHBondContact O-N 3.5Å; A622-E626 VanDerWaalsContact O-N 3.11Å; A622-S645 PolarHBondContact O-OG 2.97Å; A622-H648 HydrophobicContact CB-CB 3.95Å; A622-F649 HydrophobicContact CB-CB 4.35Å; A622-F649 HydrophobicContact CB-CD1 3.46Å; A622-F649 VanDerWaalsContact CB-CD1 3.46Å; A622-F649 HydrophobicContact CB-CD2 3.71Å; A622-F649 HydrophobicContact CB-CE1 3.52Å; A622-F649 HydrophobicContact CB-CE2 3.78Å; A622-F649 HydrophobicContact CB-CG 3.54Å; A622-F649 HydrophobicContact CB-CZ 3.68Å
623L94.3Very high89.8Confident51 Ų5132.6 Ų32.627%0.26717%0.167SC..Hα-helixtrans-65.1-44173.4-73.7168.2000111.9F581 K619 N620 L621 C625 E626 R627 F649F581-L623 HydrophobicContact CE2-CB 4.38Å; F581-L623 HydrophobicContact CZ-CB 4.26Å; K619-L623 HydrophobicContact CG-CD1 4.28Å; K619-L623 WeakPolarHBondContact O-CG 3.47Å; K619-L623 PolarHBondContact O-N 2.96Å; N620-L623 PolarHBondContact O-N 2.96Å; L621-L623 VanDerWaalsContact C-N 3.33Å; L621-L623 PolarHBondContact O-N 3.32Å; L623-C625 VanDerWaalsContact C-N 3.31Å; L623-C625 PolarHBondContact O-N 3.37Å; L623-E626 PolarHBondContact O-N 2.85Å; L623-R627 WeakPolarHBondContact O-CG 3.32Å; L623-R627 PolarHBondContact O-N 3.25Å; L623-F649 HydrophobicContact CD2-CE1 4.41Å; L623-F649 HydrophobicContact CD2-CZ 3.83Å; L623-F649 HydrophobicContact CG-CE1 4.12Å; L623-F649 HydrophobicContact CG-CZ 3.9Å
624A94.2Very high88.3Confident0 Ų040.5 Ų40.50%021%0.205CC..Hα-helixtrans-59.4-41.9176.400000111.9F581 Y603 N620 L621 L628F581-A624 HydrophobicContact CD2-CB 4.39Å; Y603-A624 HydrophobicContact CD2-CB 3.69Å; Y603-A624 HydrophobicContact CE2-CB 4.16Å; N620-A624 PolarHBondContact O-N 3.36Å; L621-A624 PolarHBondContact O-N 3.39Å; A624-L628 VanDerWaalsContact O-CB 3.27Å; A624-L628 WeakPolarHBondContact O-CB 3.4Å; A624-L628 PolarHBondContact O-N 3.42Å
625C94Very high87.2Confident0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-61.4-45.5174.7-65.20000112.4Y600 L621 A622 L623 L628 L629 C644Y600-C625 WeakPolarHBondContact CE2-SG 3.41Å; L621-C625 PolarHBondContact O-N 3.36Å; L621-C625 PolarHBondContact O-SG 2.96Å; A622-C625 PolarHBondContact O-N 3.21Å; L623-C625 VanDerWaalsContact C-N 3.31Å; L623-C625 PolarHBondContact O-N 3.37Å; C625-L628 PolarHBondContact O-N 2.93Å; C625-L629 WeakPolarHBondContact O-CB 3.48Å; C625-L629 PolarHBondContact O-N 3.05Å; C625-C644 PolarHBondContact SG-SG 3.16Å
626E92.6Very high86.7Confident23 Ų2346 Ų4611%0.10725%0.246CC..Hα-helixtrans-66.2-39.1-178.3-174.5-110.4-175.100111.9A622 L623 R630 L672A622-E626 PolarHBondContact O-N 3.5Å; A622-E626 VanDerWaalsContact O-N 3.11Å; L623-E626 PolarHBondContact O-N 2.85Å; E626-R630 WeakPolarHBondContact O-CG 3.27Å; E626-R630 PolarHBondContact O-N 3.27Å; E626-R630 IonicContact OE1-CZ 3.55Å; E626-R630 IonicContact OE1-NE 3.92Å; E626-R630 PolarHBondContact OE1-NE 2.91Å; E626-R630 IonicContact OE1-NH1 2.81Å; E626-R630 PolarHBondContact OE1-NH1 3.16Å; E626-R630 IonicContact OE1-NH2 3.27Å; E626-R630 PolarHBondContact OE1-NH2 3.14Å; E626-L672 HydrophobicContact CG-CD2 4.29Å
627R91.9Very high86.4Confident69 Ų6946 Ų4626%0.2625%0.249SC..Hα-helixtrans-71.9-39.9175.4-67.3-46.9-162.1-133.65.3113.5F581 E585 F596 L623 L629 R630 S631F581-R627 HydrophobicContact CE2-CB 3.86Å; F581-R627 HydrophobicContact CE2-CG 3.44Å; F581-R627 VanDerWaalsContact CE2-CG 3.44Å; F581-R627 HydrophobicContact CZ-CB 4.35Å; F581-R627 HydrophobicContact CZ-CG 3.44Å; F581-R627 VanDerWaalsContact CZ-CG 3.44Å; E585-R627 WeakPolarHBondContact OE1-CD 3.3Å; E585-R627 IonicContact OE1-CZ 2.66Å; E585-R627 IonicContact OE1-NE 3.44Å; E585-R627 PolarHBondContact OE1-NE 2.9Å; E585-R627 IonicContact OE1-NH2 3.35Å; F596-R627 HydrophobicContact CD1-CB 3.71Å; F596-R627 HydrophobicContact CD1-CG 4.5Å; F596-R627 HydrophobicContact CD2-CB 4.33Å; F596-R627 HydrophobicContact CE1-CB 3.51Å; F596-R627 HydrophobicContact CE1-CG 3.87Å; F596-R627 HydrophobicContact CE2-CB 4.12Å; F596-R627 HydrophobicContact CG-CB 4.14Å; F596-R627 HydrophobicContact CZ-CB 3.73Å; F596-R627 HydrophobicContact CZ-CG 4.05Å; L623-R627 WeakPolarHBondContact O-CG 3.32Å; L623-R627 PolarHBondContact O-N 3.25Å; R627-L629 VanDerWaalsContact C-N 3.3Å; R627-L629 PolarHBondContact O-N 3.46Å; R627-R630 PolarHBondContact O-N 3Å; R627-S631 PolarHBondContact O-N 2.99Å; R627-S631 VanDerWaalsContact O-N 3.13Å
628L90.6Very high85.9Confident4 Ų448.1 Ų48.12%0.02126%0.263CS..Hα-helixtrans-63.7-37.1175.2-17660.5000111.8F596 E597 Y600 A624 C625 R630 S631 Q633 Y636 L641F596-L628 HydrophobicContact CB-CB 4.49Å; F596-L628 HydrophobicContact CB-CD1 4.18Å; E597-L628 HydrophobicContact CB-CD1 4.25Å; Y600-L628 HydrophobicContact CD1-CD2 3.59Å; Y600-L628 HydrophobicContact CE1-CD2 4.26Å; Y600-L628 HydrophobicContact CG-CD2 3.72Å; A624-L628 VanDerWaalsContact O-CB 3.27Å; A624-L628 WeakPolarHBondContact O-CB 3.4Å; A624-L628 PolarHBondContact O-N 3.42Å; C625-L628 PolarHBondContact O-N 2.93Å; L628-R630 VanDerWaalsContact C-N 3.29Å; L628-R630 PolarHBondContact O-N 3Å; L628-S631 PolarHBondContact O-N 3.4Å; L628-S631 PolarHBondContact O-OG 3.04Å; L628-Q633 HydrophobicContact CD1-CB 4.43Å; L628-Y636 HydrophobicContact CD2-CD2 4.26Å; L628-Y636 HydrophobicContact CD2-CE2 4.41Å; L628-Y636 HydrophobicContact CD2-CG 4.43Å; L628-L641 HydrophobicContact CB-CD1 4.41Å; L628-L641 HydrophobicContact CD2-CD1 4.29Å; L628-L641 HydrophobicContact CD2-CD2 4.14Å; L628-L641 HydrophobicContact CG-CD1 4.1Å
629L89.8Confident85.6Confident37 Ų3749.5 Ų49.519%0.19427%0.271CS..Hα-helixtrans-59.2-41.5174177.869.3000111.7C625 R627 P638 L641 L642C625-L629 WeakPolarHBondContact O-CB 3.48Å; C625-L629 PolarHBondContact O-N 3.05Å; R627-L629 VanDerWaalsContact C-N 3.3Å; R627-L629 PolarHBondContact O-N 3.46Å; L629-P638 HydrophobicContact CD1-CB 3.75Å; L629-L641 HydrophobicContact CB-CB 4.34Å; L629-L641 HydrophobicContact CB-CD1 4.18Å; L629-L641 HydrophobicContact CD1-CB 4.43Å; L629-L641 HydrophobicContact CD1-CD1 4.48Å; L629-L642 HydrophobicContact CD2-CD1 4.41Å; L629-L642 HydrophobicContact CD2-CD2 3.42Å; L629-L642 VanDerWaalsContact CD2-CD2 3.42Å; L629-L642 HydrophobicContact CD2-CG 3.66Å
630R86Confident85.4Confident163 Ų16352.5 Ų52.562%0.61529%0.285SS*.Hα-helixtrans-76-21.6-178.6-70.3-177.9179.5176.98.1113.9E626 R627 L628 A632E626-R630 WeakPolarHBondContact O-CG 3.27Å; E626-R630 PolarHBondContact O-N 3.27Å; E626-R630 IonicContact OE1-CZ 3.55Å; E626-R630 IonicContact OE1-NE 3.92Å; E626-R630 PolarHBondContact OE1-NE 2.91Å; E626-R630 IonicContact OE1-NH1 2.81Å; E626-R630 PolarHBondContact OE1-NH1 3.16Å; E626-R630 IonicContact OE1-NH2 3.27Å; E626-R630 PolarHBondContact OE1-NH2 3.14Å; R627-R630 PolarHBondContact O-N 3Å; L628-R630 VanDerWaalsContact C-N 3.29Å; L628-R630 PolarHBondContact O-N 3Å; R630-A632 PolarHBondContact O-N 2.95Å
631S81.9Confident85.2Confident31 Ų3151.4 Ų51.422%0.21728%0.279CS..THydrogen-bonded Turntrans-80.11-179.167.90000114.1R627 L628 Q633R627-S631 PolarHBondContact O-N 2.99Å; R627-S631 VanDerWaalsContact O-N 3.13Å; L628-S631 PolarHBondContact O-N 3.4Å; L628-S631 PolarHBondContact O-OG 3.04Å; S631-Q633 VanDerWaalsContact C-N 3.27Å; S631-Q633 PolarHBondContact O-N 3.45Å
632A65.9Low85.1Confident87 Ų8751.4 Ų51.472%0.71928%0.279SS*.THydrogen-bonded Turntrans55.932.4172.700000115.2R630R630-A632 PolarHBondContact O-N 2.95Å
633Q65.6Low85Confident51 Ų5153.3 Ų53.324%0.23829%0.291CS..  trans-74.1129.4-177.7-147.2-1755.800112.1A593 E597 L628 S631 G635A593-Q633 HydrophobicContact CB-CB 4.32Å; A593-Q633 HydrophobicContact CB-CG 4.04Å; E597-Q633 VanDerWaalsContact CB-OE1 3.31Å; E597-Q633 PolarHBondContact OE2-NE2 3.18Å; L628-Q633 HydrophobicContact CD1-CB 4.43Å; S631-Q633 VanDerWaalsContact C-N 3.27Å; S631-Q633 PolarHBondContact O-N 3.45Å; Q633-G635 PolarHBondContact O-N 2.84Å
634Q60.7Low85Confident196 Ų19651.5 Ų51.592%0.91628%0.282SS*.THydrogen-bonded Turntrans-71.1118177.6-69.4-178.3-8.800110.2
635G69.8Low85Confident76 Ų7651.5 Ų51.578%0.78428%0.282SS*.THydrogen-bonded Turntrans142.7-24.2173.900000115.4Q633Q633-G635 PolarHBondContact O-N 2.84Å
636Y80.1Confident85.1Confident73 Ų7352 Ų5229%0.28629%0.285SS..SBendtrans-106.2138.1179.1-66.7-87.5000111.6E597 Y600 L628 P638E597-Y636 HydrophobicContact CG-CE2 3.82Å; Y600-Y636 HydrophobicContact CD1-CE1 4.27Å; Y600-Y636 HydrophobicContact CE1-CD1 4.19Å; Y600-Y636 AromaticContact CE1-CE1 3.7Å; Y600-Y636 HydrophobicContact CE1-CE1 3.7Å; L628-Y636 HydrophobicContact CD2-CD2 4.26Å; L628-Y636 HydrophobicContact CD2-CE2 4.41Å; L628-Y636 HydrophobicContact CD2-CG 4.43Å; Y636-P638 WeakPolarHBondContact O-CD 3.49Å
637S84.8Confident85.2Confident48 Ų4856 Ų5634%0.33630%0.304SS..  trans-71.6121.6175.9177.30000110.1D639 H640 L641S637-D639 PolarHBondContact O-N 3.49Å; S637-H640 WeakPolarHBondContact O-CB 3.47Å; S637-H640 PolarHBondContact O-N 3.4Å; S637-L641 PolarHBondContact O-N 2.73Å
638P86.1Confident85.4Confident46 Ų4653.6 Ų53.630%0.29930%0.296SS..Hα-helixtrans-54.5-36175.7-29.437.4000113.3L629 Y636 H640 L641 L642 L679L629-P638 HydrophobicContact CD1-CB 3.75Å; Y636-P638 WeakPolarHBondContact O-CD 3.49Å; P638-H640 VanDerWaalsContact C-N 3.31Å; P638-H640 PolarHBondContact O-N 2.85Å; P638-L641 PolarHBondContact O-N 3.05Å; P638-L642 WeakPolarHBondContact O-CB 3.27Å; P638-L642 WeakPolarHBondContact O-CD1 3.49Å; P638-L642 VanDerWaalsContact O-CG 3.28Å; P638-L642 WeakPolarHBondContact O-CG 3.47Å; P638-L642 PolarHBondContact O-N 2.8Å; P638-L679 HydrophobicContact CB-CD1 3.67Å; P638-L679 HydrophobicContact CG-CD1 4.46Å
639D87.9Confident85.7Confident29 Ų2953.9 Ų53.916%0.15530%0.297CS..Hα-helixtrans-62.9-37.3176.4-17070.8000112.6S637 T643 L679 R680S637-D639 PolarHBondContact O-N 3.49Å; D639-T643 VanDerWaalsContact O-CB 3.3Å; D639-T643 WeakPolarHBondContact O-CB 3.3Å; D639-T643 PolarHBondContact O-N 2.86Å; D639-T643 PolarHBondContact O-OG1 3.16Å; D639-L679 HydrophobicContact CB-CD2 3.94Å; D639-R680 VanDerWaalsContact OD1-CG 3.26Å; D639-R680 WeakPolarHBondContact OD1-CG 3.46Å; D639-R680 IonicContact OD1-CZ 3.12Å; D639-R680 IonicContact OD1-NE 3.65Å; D639-R680 PolarHBondContact OD1-NE 2.85Å; D639-R680 IonicContact OD1-NH2 3.77Å; D639-R680 PolarHBondContact OD1-NH2 3.04Å; D639-R680 IonicContact OD2-CZ 3.97Å; D639-R680 IonicContact OD2-NE 3.88Å; D639-R680 PolarHBondContact OD2-NE 3.41Å; D639-R680 IonicContact OD2-NH2 2.95Å; D639-R680 PolarHBondContact OD2-NH2 3.32Å
640H90.4Very high86Confident89 Ų8954 Ų5441%0.41230%0.301SS..Hα-helixtrans-69.9-47.2179.4-178.768.7000111S637 P638 L642 T643 C644S637-H640 WeakPolarHBondContact O-CB 3.47Å; S637-H640 PolarHBondContact O-N 3.4Å; P638-H640 VanDerWaalsContact C-N 3.31Å; P638-H640 PolarHBondContact O-N 2.85Å; H640-L642 PolarHBondContact O-N 2.84Å; H640-T643 PolarHBondContact O-N 3.43Å; H640-C644 VanDerWaalsContact O-CB 3.3Å; H640-C644 WeakPolarHBondContact O-CB 3.4Å; H640-C644 PolarHBondContact O-N 3.44Å
641L91.8Very high86.4Confident5 Ų548.5 Ų48.53%0.02628%0.283CS..Hα-helixtrans-63.8-41.4178.7-65.2178.3000112Y600 L628 L629 S637 P638 C644 S645Y600-L641 HydrophobicContact CE1-CD2 4.47Å; Y600-L641 HydrophobicContact CE2-CD2 4.16Å; L628-L641 HydrophobicContact CB-CD1 4.41Å; L628-L641 HydrophobicContact CD2-CD1 4.29Å; L628-L641 HydrophobicContact CD2-CD2 4.14Å; L628-L641 HydrophobicContact CG-CD1 4.1Å; L629-L641 HydrophobicContact CB-CB 4.34Å; L629-L641 HydrophobicContact CB-CD1 4.18Å; L629-L641 HydrophobicContact CD1-CB 4.43Å; L629-L641 HydrophobicContact CD1-CD1 4.48Å; S637-L641 PolarHBondContact O-N 2.73Å; P638-L641 PolarHBondContact O-N 3.05Å; L641-C644 PolarHBondContact O-N 3.45Å; L641-S645 WeakPolarHBondContact O-CB 3.42Å; L641-S645 PolarHBondContact O-N 2.83Å
642L92.6Very high87Confident2 Ų247.6 Ų47.61%0.0128%0.275CS..Hα-helixtrans-61.8-43.8173.8-75.7167.3000111.8L629 P638 H640 V646 L672 E675 R676L629-L642 HydrophobicContact CD2-CD1 4.41Å; L629-L642 HydrophobicContact CD2-CD2 3.42Å; L629-L642 VanDerWaalsContact CD2-CD2 3.42Å; L629-L642 HydrophobicContact CD2-CG 3.66Å; P638-L642 WeakPolarHBondContact O-CB 3.27Å; P638-L642 WeakPolarHBondContact O-CD1 3.49Å; P638-L642 VanDerWaalsContact O-CG 3.28Å; P638-L642 WeakPolarHBondContact O-CG 3.47Å; P638-L642 PolarHBondContact O-N 2.8Å; H640-L642 PolarHBondContact O-N 2.84Å; L642-V646 WeakPolarHBondContact O-CB 3.27Å; L642-V646 VanDerWaalsContact O-CG2 3.28Å; L642-V646 WeakPolarHBondContact O-CG2 3.46Å; L642-V646 PolarHBondContact O-N 3.16Å; L642-V646 VanDerWaalsContact O-N 3.07Å; L642-L672 HydrophobicContact CD2-CB 4.4Å; L642-L672 HydrophobicContact CD2-CD2 3.73Å; L642-E675 HydrophobicContact CD1-CG 4.3Å; L642-E675 HydrophobicContact CD2-CB 4.3Å; L642-E675 HydrophobicContact CD2-CG 4.32Å; L642-R676 HydrophobicContact CB-CB 4.01Å; L642-R676 HydrophobicContact CB-CG 4.15Å; L642-R676 HydrophobicContact CD1-CB 4.09Å
643T93.7Very high88.4Confident39 Ų3944.5 Ų44.524%0.23925%0.246CC..Hα-helixtrans-65.3-44.7178.1-59.30000111.4D639 H640 V646 Q647 R676 R680D639-T643 VanDerWaalsContact O-CB 3.3Å; D639-T643 WeakPolarHBondContact O-CB 3.3Å; D639-T643 PolarHBondContact O-N 2.86Å; D639-T643 PolarHBondContact O-OG1 3.16Å; H640-T643 PolarHBondContact O-N 3.43Å; T643-V646 PolarHBondContact O-N 3.49Å; T643-Q647 WeakPolarHBondContact O-CB 3.5Å; T643-Q647 PolarHBondContact O-N 3.47Å; T643-R676 WeakPolarHBondContact OG1-CD 3.4Å; T643-R680 PolarHBondContact OG1-NH2 3.35Å
644C94.1Very high89.7Confident13 Ų1349 Ų499%0.08827%0.267CS..Hα-helixtrans-62.3-46.8178.5-173.50000111.4C625 H640 L641 V646 Q647 H648C625-C644 PolarHBondContact SG-SG 3.16Å; H640-C644 VanDerWaalsContact O-CB 3.3Å; H640-C644 WeakPolarHBondContact O-CB 3.4Å; H640-C644 PolarHBondContact O-N 3.44Å; L641-C644 PolarHBondContact O-N 3.45Å; C644-V646 PolarHBondContact O-N 3.34Å; C644-Q647 PolarHBondContact O-N 3.08Å; C644-H648 PolarHBondContact O-CD2 3.13Å; C644-H648 VanDerWaalsContact O-CD2 3.31Å; C644-H648 PolarHBondContact O-N 3.27Å; C644-H648 VanDerWaalsContact SG-CD2 3.58Å
645S94.8Very high91.2Very high0 Ų043.8 Ų43.80%024%0.242CC..Hα-helixtrans-61.6-45.2178.1-169.30000112.3A622 L641 F649 L672A622-S645 PolarHBondContact O-OG 2.97Å; L641-S645 WeakPolarHBondContact O-CB 3.42Å; L641-S645 PolarHBondContact O-N 2.83Å; S645-F649 WeakPolarHBondContact O-CB 3.3Å; S645-F649 WeakPolarHBondContact O-CD2 3.46Å; S645-F649 PolarHBondContact O-N 2.8Å; S645-L672 WeakPolarHBondContact OG-CD1 3.39Å
646V95.6Very high92.2Very high12 Ų1243.8 Ų43.87%0.07322%0.221CC..Hα-helixtrans-59.8-48.6174.9166.50000111.2L642 T643 C644 S650 V669 L672 L673L642-V646 WeakPolarHBondContact O-CB 3.27Å; L642-V646 VanDerWaalsContact O-CG2 3.28Å; L642-V646 WeakPolarHBondContact O-CG2 3.46Å; L642-V646 PolarHBondContact O-N 3.16Å; L642-V646 VanDerWaalsContact O-N 3.07Å; T643-V646 PolarHBondContact O-N 3.49Å; C644-V646 PolarHBondContact O-N 3.34Å; V646-S650 WeakPolarHBondContact O-CB 3.38Å; V646-S650 PolarHBondContact O-N 2.96Å; V646-S650 PolarHBondContact O-OG 3.43Å; V646-V669 HydrophobicContact CG1-CG1 4.31Å; V646-L672 HydrophobicContact CG2-CB 3.58Å; V646-L673 HydrophobicContact CG1-CD2 3.75Å; V646-L673 HydrophobicContact CG1-CG 4.06Å; V646-L673 HydrophobicContact CG2-CD2 4.22Å; V646-L673 HydrophobicContact CG2-CG 4.1Å
647Q95.7Very high92.6Very high105 Ų10543.8 Ų43.849%0.49123%0.23SC..Hα-helixtrans-58.6-52.5-178.2177.1-179-14.200111.7T643 C644 S650 L651T643-Q647 WeakPolarHBondContact O-CB 3.5Å; T643-Q647 PolarHBondContact O-N 3.47Å; C644-Q647 PolarHBondContact O-N 3.08Å; Q647-S650 WeakPolarHBondContact O-CB 3.31Å; Q647-S650 PolarHBondContact O-N 3.28Å; Q647-L651 HydrophobicContact CG-CD1 4.17Å; Q647-L651 WeakPolarHBondContact O-CG 3.36Å; Q647-L651 PolarHBondContact O-N 3.19Å
648H96.1Very high92.8Very high20 Ų2047.3 Ų47.39%0.09325%0.25CC..Hα-helixtrans-73.6-32.8-175.2-73.2-76000112.9D618 L621 A622 C644 S650 L651 Y652D618-H648 HydrophobicContact CB-CB 4.14Å; D618-H648 WeakPolarHBondContact CB-O 3.39Å; D618-H648 WeakPolarHBondContact O-CB 3.47Å; D618-H648 IonicContact OD1-CE1 2.86Å; D618-H648 IonicContact OD1-CG 3.97Å; D618-H648 IonicContact OD1-ND1 3.41Å; D618-H648 PolarHBondContact OD1-ND1 3.18Å; L621-H648 WeakPolarHBondContact CD2-NE2 3.33Å; A622-H648 HydrophobicContact CB-CB 3.95Å; C644-H648 PolarHBondContact O-CD2 3.13Å; C644-H648 VanDerWaalsContact O-CD2 3.31Å; C644-H648 PolarHBondContact O-N 3.27Å; C644-H648 VanDerWaalsContact SG-CD2 3.58Å; H648-S650 VanDerWaalsContact C-N 3.33Å; H648-S650 PolarHBondContact O-N 3.36Å; H648-L651 PolarHBondContact O-N 3.46Å; H648-Y652 WeakPolarHBondContact O-CB 3.45Å; H648-Y652 PolarHBondContact O-N 2.87Å
649F96.7Very high93Very high9 Ų946.6 Ų46.64%0.03924%0.244CC..Hα-helixtrans-64.7-37.5169.5-80.4-40.5000112.8K619 A622 L623 S645 Y652 L653 I665 V669 L672K619-F649 HydrophobicContact CG-CE1 4.3Å; A622-F649 HydrophobicContact CB-CB 4.35Å; A622-F649 HydrophobicContact CB-CD1 3.46Å; A622-F649 VanDerWaalsContact CB-CD1 3.46Å; A622-F649 HydrophobicContact CB-CD2 3.71Å; A622-F649 HydrophobicContact CB-CE1 3.52Å; A622-F649 HydrophobicContact CB-CE2 3.78Å; A622-F649 HydrophobicContact CB-CG 3.54Å; A622-F649 HydrophobicContact CB-CZ 3.68Å; L623-F649 HydrophobicContact CD2-CE1 4.41Å; L623-F649 HydrophobicContact CD2-CZ 3.83Å; L623-F649 HydrophobicContact CG-CE1 4.12Å; L623-F649 HydrophobicContact CG-CZ 3.9Å; S645-F649 WeakPolarHBondContact O-CB 3.3Å; S645-F649 WeakPolarHBondContact O-CD2 3.46Å; S645-F649 PolarHBondContact O-N 2.8Å; F649-Y652 PolarHBondContact O-N 3.17Å; F649-L653 WeakPolarHBondContact O-CG 3.5Å; F649-L653 PolarHBondContact O-N 3.04Å; F649-I665 HydrophobicContact CB-CG2 3.78Å; F649-I665 HydrophobicContact CD1-CG2 3.66Å; F649-I665 HydrophobicContact CE1-CG2 4.42Å; F649-I665 HydrophobicContact CG-CG2 3.81Å; F649-V669 HydrophobicContact CB-CG2 3.45Å; F649-V669 VanDerWaalsContact CB-CG2 3.45Å; F649-V669 HydrophobicContact CD2-CG2 4.36Å; F649-V669 HydrophobicContact CG-CG2 4.3Å; F649-L672 HydrophobicContact CD2-CD1 4.09Å; F649-L672 HydrophobicContact CE2-CD1 4.15Å
650S95.3Very high93.1Very high41 Ų4151.4 Ų51.429%0.28728%0.277SS..Hα-helixtrans-62.9-47.1173-740000111.5V646 Q647 H648 Y652 L653 E654V646-S650 WeakPolarHBondContact O-CB 3.38Å; V646-S650 PolarHBondContact O-N 2.96Å; V646-S650 PolarHBondContact O-OG 3.43Å; Q647-S650 WeakPolarHBondContact O-CB 3.31Å; Q647-S650 PolarHBondContact O-N 3.28Å; H648-S650 VanDerWaalsContact C-N 3.33Å; H648-S650 PolarHBondContact O-N 3.36Å; S650-Y652 VanDerWaalsContact C-N 3.31Å; S650-Y652 PolarHBondContact O-N 3.23Å; S650-L653 PolarHBondContact O-N 3.36Å; S650-L653 VanDerWaalsContact O-N 3.15Å; S650-E654 WeakPolarHBondContact O-CG 3.31Å; S650-E654 PolarHBondContact O-N 3.13Å
651L94.6Very high93.1Very high47 Ų4752.3 Ų52.325%0.24628%0.281CS..Hα-helixtrans-59.3-40175.6-71.1171.8000112.3D618 Q647 H648 E654 K655D618-L651 HydrophobicContact CB-CB 4.49Å; Q647-L651 HydrophobicContact CG-CD1 4.17Å; Q647-L651 WeakPolarHBondContact O-CG 3.36Å; Q647-L651 PolarHBondContact O-N 3.19Å; H648-L651 PolarHBondContact O-N 3.46Å; L651-E654 PolarHBondContact O-N 2.7Å; L651-K655 WeakPolarHBondContact O-CG 3.33Å; L651-K655 PolarHBondContact O-N 3.44Å; L651-K655 VanDerWaalsContact O-N 3.07Å
652Y95.1Very high93.1Very high12 Ų1252.4 Ų52.45%0.04728%0.282CS..Hα-helixtrans-60.4-47.4174.2179.4-103.7000112P615 K619 H648 F649 S650 E654 K655 E656 D659 I665P615-Y652 HydrophobicContact CB-CD2 4.23Å; P615-Y652 HydrophobicContact CB-CE2 4.32Å; P615-Y652 VanDerWaalsContact O-CD2 3.3Å; P615-Y652 WeakPolarHBondContact O-CD2 3.31Å; K619-Y652 HydrophobicContact CB-CD1 4.34Å; K619-Y652 HydrophobicContact CB-CD2 3.67Å; K619-Y652 HydrophobicContact CB-CE2 3.88Å; K619-Y652 HydrophobicContact CB-CG 3.87Å; K619-Y652 HydrophobicContact CD-CD1 4.42Å; K619-Y652 HydrophobicContact CD-CE1 3.92Å; K619-Y652 HydrophobicContact CD-CE2 3.98Å; H648-Y652 WeakPolarHBondContact O-CB 3.45Å; H648-Y652 PolarHBondContact O-N 2.87Å; F649-Y652 PolarHBondContact O-N 3.17Å; S650-Y652 VanDerWaalsContact C-N 3.31Å; S650-Y652 PolarHBondContact O-N 3.23Å; Y652-E654 VanDerWaalsContact C-N 3.27Å; Y652-E654 PolarHBondContact O-N 2.66Å; Y652-K655 PolarHBondContact O-N 3.07Å; Y652-E656 HydrophobicContact CE1-CB 4.43Å; Y652-E656 HydrophobicContact CE2-CB 4.21Å; Y652-E656 HydrophobicContact CE2-CG 4.29Å; Y652-E656 PolarHBondContact O-N 2.74Å; Y652-D659 HydrophobicContact CE1-CB 4.21Å; Y652-D659 PolarHBondContact OH-OD2 3.35Å; Y652-I665 HydrophobicContact CD1-CD1 3.58Å; Y652-I665 HydrophobicContact CE1-CD1 3.46Å; Y652-I665 VanDerWaalsContact CE1-CD1 3.46Å
653L94.2Very high93Very high21 Ų2155.9 Ų55.911%0.1131%0.312CS..Hα-helixtrans-66.2-28179.8-73.5172000113.3F649 S650 P657 A662 I665 R666F649-L653 WeakPolarHBondContact O-CG 3.5Å; F649-L653 PolarHBondContact O-N 3.04Å; S650-L653 PolarHBondContact O-N 3.36Å; S650-L653 VanDerWaalsContact O-N 3.15Å; L653-P657 WeakPolarHBondContact O-CA 3.22Å; L653-A662 HydrophobicContact CD2-CB 3.66Å; L653-I665 HydrophobicContact CD1-CB 4.41Å; L653-I665 HydrophobicContact CD1-CG2 3.81Å; L653-I665 HydrophobicContact CD2-CB 4.12Å; L653-I665 HydrophobicContact CD2-CG2 4.1Å; L653-I665 HydrophobicContact CG-CB 4.39Å; L653-I665 HydrophobicContact CG-CG2 3.83Å; L653-R666 HydrophobicContact CD1-CB 4.47Å; L653-R666 HydrophobicContact CD1-CG 3.53Å; L653-R666 HydrophobicContact CD2-CG 4.27Å
654E93.7Very high93Very high145 Ų14557.2 Ų57.268%0.67833%0.327SS*.Hα-helixtrans-70.7-41.8172.7-73.6172.1-169.500111.4S650 L651 Y652S650-E654 WeakPolarHBondContact O-CG 3.31Å; S650-E654 PolarHBondContact O-N 3.13Å; L651-E654 PolarHBondContact O-N 2.7Å; Y652-E654 VanDerWaalsContact C-N 3.27Å; Y652-E654 PolarHBondContact O-N 2.66Å
655K91.4Very high92.9Very high88 Ų8857.1 Ų57.138%0.38333%0.325SS..Hα-helixtrans-76-38.4179.7-68.7174.2-177.6174.30113P615 D618 L651 Y652 P657P615-K655 HydrophobicContact CB-CB 3.89Å; P615-K655 HydrophobicContact CB-CD 4.11Å; P615-K655 HydrophobicContact CG-CB 4.01Å; P615-K655 HydrophobicContact CG-CD 4.25Å; D618-K655 IonicContact OD2-NZ 3.85Å; D618-K655 PolarHBondContact OD2-NZ 3.42Å; L651-K655 WeakPolarHBondContact O-CG 3.33Å; L651-K655 PolarHBondContact O-N 3.44Å; L651-K655 VanDerWaalsContact O-N 3.07Å; Y652-K655 PolarHBondContact O-N 3.07Å; K655-P657 VanDerWaalsContact C-CD 3.49Å; K655-P657 WeakPolarHBondContact O-CD 3.46Å
656E91.4Very high92.9Very high75 Ų7563.9 Ų63.935%0.3535%0.35SS..  trans-127.966.9-174.7-71.9-67.7168.900111.6P615 Y652 T658 D659P615-E656 HydrophobicContact CB-CG 3.65Å; P615-E656 HydrophobicContact CG-CG 3.97Å; Y652-E656 HydrophobicContact CE1-CB 4.43Å; Y652-E656 HydrophobicContact CE2-CB 4.21Å; Y652-E656 HydrophobicContact CE2-CG 4.29Å; Y652-E656 PolarHBondContact O-N 2.74Å; E656-T658 PolarHBondContact O-N 3.31Å; E656-D659 HydrophobicContact CB-CB 4.48Å; E656-D659 PolarHBondContact O-N 3.26Å
657P88.4Confident92.7Very high73 Ų7367.1 Ų67.147%0.47437%0.374SS..THydrogen-bonded Turntrans-69.7-19.3-17528.1-35.6000113.7L653 K655L653-P657 WeakPolarHBondContact O-CA 3.22Å; K655-P657 VanDerWaalsContact C-CD 3.49Å; K655-P657 WeakPolarHBondContact O-CD 3.46Å
658T90.1Very high92.6Very high122 Ų12263.8 Ų63.875%0.74836%0.364SS*.THydrogen-bonded Turntrans-94.62.2-177.249.30000113.8E656E656-T658 PolarHBondContact O-N 3.31Å
659D89.3Confident92.4Very high32 Ų3263.5 Ų63.517%0.17136%0.364CS..  trans-58.7134.3178.6-174.4-74.4000111Y652 E656 Q661 A662Y652-D659 HydrophobicContact CE1-CB 4.21Å; Y652-D659 PolarHBondContact OH-OD2 3.35Å; E656-D659 HydrophobicContact CB-CB 4.48Å; E656-D659 PolarHBondContact O-N 3.26Å; D659-Q661 PolarHBondContact O-N 3.05Å; D659-Q661 VanDerWaalsContact O-N 3.07Å; D659-Q661 VanDerWaalsContact OD1-CA 3.3Å; D659-Q661 WeakPolarHBondContact OD1-CA 3.44Å; D659-Q661 WeakPolarHBondContact OD1-CB 3.42Å; D659-Q661 PolarHBondContact OD1-N 3.42Å; D659-A662 HydrophobicContact CB-CB 4.47Å; D659-A662 WeakPolarHBondContact O-CB 3.44Å; D659-A662 PolarHBondContact O-N 2.97Å
660P91Very high92.3Very high130 Ų13066 Ų6684%0.84438%0.383SS*.THydrogen-bonded Turntrans-57-26179.3-26.534.8000114.4
661Q90.8Very high92.2Very high107 Ų10769.2 Ų69.250%0.539%0.393SS..THydrogen-bonded Turntrans-89-0.9178.3-49.9179.115.500112.6D659 A663 A664 I665D659-Q661 PolarHBondContact O-N 3.05Å; D659-Q661 VanDerWaalsContact O-N 3.07Å; D659-Q661 VanDerWaalsContact OD1-CA 3.3Å; D659-Q661 WeakPolarHBondContact OD1-CA 3.44Å; D659-Q661 WeakPolarHBondContact OD1-CB 3.42Å; D659-Q661 PolarHBondContact OD1-N 3.42Å; Q661-A663 VanDerWaalsContact C-N 3.27Å; Q661-A663 PolarHBondContact O-N 3.02Å; Q661-A664 WeakPolarHBondContact O-CB 3.39Å; Q661-A664 PolarHBondContact O-N 3.31Å; Q661-I665 HydrophobicContact CB-CD1 4.3Å; Q661-I665 WeakPolarHBondContact O-CG1 3.38Å; Q661-I665 PolarHBondContact O-N 2.79Å
662A90.4Very high92.1Very high7 Ų767.3 Ų67.36%0.05838%0.383CS..Hα-helixtrans-56-39.1-176.400000112.9L653 D659 I665 R666L653-A662 HydrophobicContact CD2-CB 3.66Å; D659-A662 HydrophobicContact CB-CB 4.47Å; D659-A662 WeakPolarHBondContact O-CB 3.44Å; D659-A662 PolarHBondContact O-N 2.97Å; A662-I665 PolarHBondContact O-N 3.45Å; A662-R666 VanDerWaalsContact O-CG 3.32Å; A662-R666 WeakPolarHBondContact O-CG 3.24Å; A662-R666 PolarHBondContact O-N 2.95Å
663A91.6Very high92Very high76 Ų7669.3 Ų69.363%0.62839%0.394SS*.Hα-helixtrans-63.5-42.3176.500000112.4Q661 R666 S667Q661-A663 VanDerWaalsContact C-N 3.27Å; Q661-A663 PolarHBondContact O-N 3.02Å; A663-R666 PolarHBondContact O-N 3.45Å; A663-S667 PolarHBondContact O-N 3.04Å; A663-S667 VanDerWaalsContact O-N 3.12Å
664A92.5Very high91.9Very high67 Ų6774.9 Ų74.955%0.55442%0.418SS*.Hα-helixtrans-65.6-41.6176.400000111.2Q661 S667 A668Q661-A664 WeakPolarHBondContact O-CB 3.39Å; Q661-A664 PolarHBondContact O-N 3.31Å; A664-S667 WeakPolarHBondContact O-CB 3.35Å; A664-S667 PolarHBondContact O-N 2.75Å; A664-A668 PolarHBondContact O-N 3.45Å
665I92.5Very high91.8Very high10 Ų1071.8 Ų71.85%0.05140%0.403CS..Hα-helixtrans-64.7-42177.6-62.2169.4000110.7K619 F649 Y652 L653 Q661 A662 S667 A668 V669K619-I665 HydrophobicContact CD-CD1 4.42Å; F649-I665 HydrophobicContact CB-CG2 3.78Å; F649-I665 HydrophobicContact CD1-CG2 3.66Å; F649-I665 HydrophobicContact CE1-CG2 4.42Å; F649-I665 HydrophobicContact CG-CG2 3.81Å; Y652-I665 HydrophobicContact CD1-CD1 3.58Å; Y652-I665 HydrophobicContact CE1-CD1 3.46Å; Y652-I665 VanDerWaalsContact CE1-CD1 3.46Å; L653-I665 HydrophobicContact CD1-CB 4.41Å; L653-I665 HydrophobicContact CD1-CG2 3.81Å; L653-I665 HydrophobicContact CD2-CB 4.12Å; L653-I665 HydrophobicContact CD2-CG2 4.1Å; L653-I665 HydrophobicContact CG-CB 4.39Å; L653-I665 HydrophobicContact CG-CG2 3.83Å; Q661-I665 HydrophobicContact CB-CD1 4.3Å; Q661-I665 WeakPolarHBondContact O-CG1 3.38Å; Q661-I665 PolarHBondContact O-N 2.79Å; A662-I665 PolarHBondContact O-N 3.45Å; I665-S667 VanDerWaalsContact C-N 3.31Å; I665-S667 PolarHBondContact O-N 3.32Å; I665-A668 WeakPolarHBondContact O-CB 3.47Å; I665-A668 PolarHBondContact O-N 3.47Å; I665-V669 HydrophobicContact CG2-CG2 4.49Å; I665-V669 WeakPolarHBondContact O-CG2 3.23Å; I665-V669 PolarHBondContact O-N 2.91Å
666R93.6Very high91.8Very high142 Ų14269.7 Ų69.754%0.53639%0.393SS..Hα-helixtrans-60.4-39.1174.6-73.8177.6-168.9-163.54.8112.7L653 A662 A663 S670L653-R666 HydrophobicContact CD1-CB 4.47Å; L653-R666 HydrophobicContact CD1-CG 3.53Å; L653-R666 HydrophobicContact CD2-CG 4.27Å; A662-R666 VanDerWaalsContact O-CG 3.32Å; A662-R666 WeakPolarHBondContact O-CG 3.24Å; A662-R666 PolarHBondContact O-N 2.95Å; A663-R666 PolarHBondContact O-N 3.45Å; R666-S670 PolarHBondContact O-N 3.2Å; R666-S670 PolarHBondContact O-OG 2.97Å
667S93.1Very high91.7Very high81 Ų8169.4 Ų69.457%0.56639%0.394SS*.Hα-helixtrans-64.3-45.2174.4-172.70000111.3A663 A664 I665 V669 S670 H671A663-S667 PolarHBondContact O-N 3.04Å; A663-S667 VanDerWaalsContact O-N 3.12Å; A664-S667 WeakPolarHBondContact O-CB 3.35Å; A664-S667 PolarHBondContact O-N 2.75Å; I665-S667 VanDerWaalsContact C-N 3.31Å; I665-S667 PolarHBondContact O-N 3.32Å; S667-V669 PolarHBondContact O-N 3.4Å; S667-S670 WeakPolarHBondContact O-CB 3.48Å; S667-S670 PolarHBondContact O-N 3.39Å; S667-H671 PolarHBondContact O-N 3.01Å
668A92.3Very high91.8Very high35 Ų3574.5 Ų74.529%0.28940%0.403SS..Hα-helixtrans-60-46.517600000112A664 I665 S670 H671 L672A664-A668 PolarHBondContact O-N 3.45Å; I665-A668 WeakPolarHBondContact O-CB 3.47Å; I665-A668 PolarHBondContact O-N 3.47Å; A668-S670 VanDerWaalsContact C-N 3.31Å; A668-S670 PolarHBondContact O-N 3.18Å; A668-H671 WeakPolarHBondContact O-CB 3.32Å; A668-H671 PolarHBondContact O-N 3.24Å; A668-H671 VanDerWaalsContact O-N 3.14Å; A668-L672 VanDerWaalsContact O-CG 3.27Å; A668-L672 WeakPolarHBondContact O-CG 3.38Å; A668-L672 PolarHBondContact O-N 2.82Å
669V93.3Very high91.7Very high14 Ų1470.8 Ų70.89%0.08538%0.379CS..Hα-helixtrans-56.5-45.5175.1169.80000111.2V646 F649 I665 S667 H671 L672 L673V646-V669 HydrophobicContact CG1-CG1 4.31Å; F649-V669 HydrophobicContact CB-CG2 3.45Å; F649-V669 VanDerWaalsContact CB-CG2 3.45Å; F649-V669 HydrophobicContact CD2-CG2 4.36Å; F649-V669 HydrophobicContact CG-CG2 4.3Å; I665-V669 HydrophobicContact CG2-CG2 4.49Å; I665-V669 WeakPolarHBondContact O-CG2 3.23Å; I665-V669 PolarHBondContact O-N 2.91Å; S667-V669 PolarHBondContact O-N 3.4Å; V669-H671 VanDerWaalsContact C-N 3.31Å; V669-H671 PolarHBondContact O-N 3.26Å; V669-L672 PolarHBondContact O-N 3.17Å; V669-L673 HydrophobicContact CG1-CD1 3.94Å; V669-L673 HydrophobicContact CG1-CG 4.4Å; V669-L673 WeakPolarHBondContact O-CB 3.09Å; V669-L673 VanDerWaalsContact O-CG 3.3Å; V669-L673 WeakPolarHBondContact O-CG 3.47Å; V669-L673 PolarHBondContact O-N 3.12Å
670S93.6Very high91.6Very high62 Ų6274 Ų7443%0.43439%0.388SS..Hα-helixtrans-62.8-37.2178.7-590000112.6R666 S667 A668 K674R666-S670 PolarHBondContact O-N 3.2Å; R666-S670 PolarHBondContact O-OG 2.97Å; S667-S670 WeakPolarHBondContact O-CB 3.48Å; S667-S670 PolarHBondContact O-N 3.39Å; A668-S670 VanDerWaalsContact C-N 3.31Å; A668-S670 PolarHBondContact O-N 3.18Å; S670-K674 WeakPolarHBondContact O-CG 3.35Å; S670-K674 PolarHBondContact O-N 2.77Å
671H93.4Very high91.4Very high108 Ų10873.4 Ų73.450%0.538%0.375SS..Hα-helixtrans-67.6-49.9175.1-177.6-81.9000111.6S667 A668 V669 L673 K674 E675S667-H671 PolarHBondContact O-N 3.01Å; A668-H671 WeakPolarHBondContact O-CB 3.32Å; A668-H671 PolarHBondContact O-N 3.24Å; A668-H671 VanDerWaalsContact O-N 3.14Å; V669-H671 VanDerWaalsContact C-N 3.31Å; V669-H671 PolarHBondContact O-N 3.26Å; H671-L673 VanDerWaalsContact C-N 3.31Å; H671-L673 PolarHBondContact O-N 3.09Å; H671-K674 WeakPolarHBondContact O-CB 3.46Å; H671-K674 PolarHBondContact O-N 3.09Å; H671-K674 VanDerWaalsContact O-N 3.16Å; H671-E675 IonicContact CE1-OE2 3.92Å; H671-E675 PolarHBondContact CE1-OE2 2.84Å; H671-E675 IonicContact ND1-OE2 2.8Å; H671-E675 PolarHBondContact O-N 2.94Å
672L92.8Very high90.9Very high6 Ų671.3 Ų71.33%0.03137%0.371CS..Hα-helixtrans-62.1-37-179-66.9167.2000112.2E626 L642 S645 V646 F649 A668 V669 E675 R676E626-L672 HydrophobicContact CG-CD2 4.29Å; L642-L672 HydrophobicContact CD2-CB 4.4Å; L642-L672 HydrophobicContact CD2-CD2 3.73Å; S645-L672 WeakPolarHBondContact OG-CD1 3.39Å; V646-L672 HydrophobicContact CG2-CB 3.58Å; F649-L672 HydrophobicContact CD2-CD1 4.09Å; F649-L672 HydrophobicContact CE2-CD1 4.15Å; A668-L672 VanDerWaalsContact O-CG 3.27Å; A668-L672 WeakPolarHBondContact O-CG 3.38Å; A668-L672 PolarHBondContact O-N 2.82Å; V669-L672 PolarHBondContact O-N 3.17Å; L672-E675 PolarHBondContact O-N 3.27Å; L672-R676 WeakPolarHBondContact O-CB 3.26Å; L672-R676 PolarHBondContact O-N 3.2Å
673L92.7Very high90.3Very high54 Ų5477.9 Ų77.928%0.28340%0.395SS..Hα-helixtrans-59.9-48173-78.4170.5000112V646 V669 H671 E675 R676 D677V646-L673 HydrophobicContact CG1-CD2 3.75Å; V646-L673 HydrophobicContact CG1-CG 4.06Å; V646-L673 HydrophobicContact CG2-CD2 4.22Å; V646-L673 HydrophobicContact CG2-CG 4.1Å; V669-L673 HydrophobicContact CG1-CD1 3.94Å; V669-L673 HydrophobicContact CG1-CG 4.4Å; V669-L673 WeakPolarHBondContact O-CB 3.09Å; V669-L673 VanDerWaalsContact O-CG 3.3Å; V669-L673 WeakPolarHBondContact O-CG 3.47Å; V669-L673 PolarHBondContact O-N 3.12Å; H671-L673 VanDerWaalsContact C-N 3.31Å; H671-L673 PolarHBondContact O-N 3.09Å; L673-E675 VanDerWaalsContact C-N 3.3Å; L673-E675 PolarHBondContact O-N 3.24Å; L673-R676 VanDerWaalsContact CD2-NH2 3.26Å; L673-R676 PolarHBondContact O-N 2.54Å; L673-D677 WeakPolarHBondContact O-CB 3.39Å; L673-D677 PolarHBondContact O-N 3.28Å
674K92.4Very high89.3Confident139 Ų13983 Ų8360%0.60440%0.403SS*.Hα-helixtrans-61.1-40.4177.5-71.7173.6-177.6177.50111.8S670 H671 R678S670-K674 WeakPolarHBondContact O-CG 3.35Å; S670-K674 PolarHBondContact O-N 2.77Å; H671-K674 WeakPolarHBondContact O-CB 3.46Å; H671-K674 PolarHBondContact O-N 3.09Å; H671-K674 VanDerWaalsContact O-N 3.16Å; K674-R678 VanDerWaalsContact O-CG 3.3Å; K674-R678 WeakPolarHBondContact O-CG 3.4Å; K674-R678 PolarHBondContact O-N 2.67Å
675E90.8Very high87.9Confident80 Ų8087.6 Ų87.637%0.37441%0.413SS..Hα-helixtrans-67.4-43.6179.5-168.3165.1-173.100111.9L642 H671 L672 L673 D677 R678 L679L642-E675 HydrophobicContact CD1-CG 4.3Å; L642-E675 HydrophobicContact CD2-CB 4.3Å; L642-E675 HydrophobicContact CD2-CG 4.32Å; H671-E675 IonicContact CE1-OE2 3.92Å; H671-E675 PolarHBondContact CE1-OE2 2.84Å; H671-E675 IonicContact ND1-OE2 2.8Å; H671-E675 PolarHBondContact O-N 2.94Å; L672-E675 PolarHBondContact O-N 3.27Å; L673-E675 VanDerWaalsContact C-N 3.3Å; L673-E675 PolarHBondContact O-N 3.24Å; E675-D677 PolarHBondContact O-N 3.24Å; E675-R678 PolarHBondContact O-N 3.45Å; E675-L679 WeakPolarHBondContact O-CB 3.37Å; E675-L679 PolarHBondContact O-N 3.24Å
676R91.5Very high85.9Confident43 Ų4391.9 Ų91.916%0.16244%0.439CS..Hα-helixtrans-60-46.4173.8-171.5-165.865.1-169.1-3.5111.8L642 T643 L672 L673 R678 L679 R680L642-R676 HydrophobicContact CB-CB 4.01Å; L642-R676 HydrophobicContact CB-CG 4.15Å; L642-R676 HydrophobicContact CD1-CB 4.09Å; T643-R676 WeakPolarHBondContact OG1-CD 3.4Å; L672-R676 WeakPolarHBondContact O-CB 3.26Å; L672-R676 PolarHBondContact O-N 3.2Å; L673-R676 VanDerWaalsContact CD2-NH2 3.26Å; L673-R676 PolarHBondContact O-N 2.54Å; R676-R678 VanDerWaalsContact C-N 3.34Å; R676-R678 PolarHBondContact O-N 2.99Å; R676-L679 PolarHBondContact O-N 3.45Å; R676-R680 WeakPolarHBondContact O-CG 3.36Å; R676-R680 PolarHBondContact O-N 3.1Å
677D90.1Very high83.6Confident70 Ų7094.5 Ų94.537%0.37448%0.475SS..Hα-helixtrans-67-37.8-177.2-65.2-12.2000111.1L673 E675 R680 Q681L673-D677 WeakPolarHBondContact O-CB 3.39Å; L673-D677 PolarHBondContact O-N 3.28Å; E675-D677 PolarHBondContact O-N 3.24Å; D677-R680 PolarHBondContact O-N 3.2Å; D677-Q681 WeakPolarHBondContact O-CB 3.33Å; D677-Q681 VanDerWaalsContact O-CG 3.25Å; D677-Q681 WeakPolarHBondContact O-CG 3.34Å; D677-Q681 PolarHBondContact O-N 3.33Å
678R89.9Confident83.1Confident179 Ų17995.2 Ų95.268%0.67547%0.47SS*.Hα-helixtrans-60.1-45.2170.3-76.4174.6-178.7172.80112.2K674 E675 R676 Q681 S682K674-R678 VanDerWaalsContact O-CG 3.3Å; K674-R678 WeakPolarHBondContact O-CG 3.4Å; K674-R678 PolarHBondContact O-N 2.67Å; E675-R678 PolarHBondContact O-N 3.45Å; R676-R678 VanDerWaalsContact C-N 3.34Å; R676-R678 PolarHBondContact O-N 2.99Å; R678-Q681 PolarHBondContact O-N 2.75Å; R678-S682 PolarHBondContact O-N 2.58Å; R678-S682 PolarHBondContact O-OG 3.28Å
679L87.6Confident82.7Confident44 Ų4498.3 Ų98.323%0.2348%0.48CS..Hα-helixtrans-66.7-35.9-179.9-169.9137.5000112.5P638 D639 E675 R676 S682 R683P638-L679 HydrophobicContact CB-CD1 3.67Å; P638-L679 HydrophobicContact CG-CD1 4.46Å; D639-L679 HydrophobicContact CB-CD2 3.94Å; E675-L679 WeakPolarHBondContact O-CB 3.37Å; E675-L679 PolarHBondContact O-N 3.24Å; R676-L679 PolarHBondContact O-N 3.45Å; L679-S682 PolarHBondContact O-OG 3.46Å; L679-R683 PolarHBondContact O-N 3.11Å
680R88.4Confident82.1Confident99 Ų99103 Ų10337%0.37450%0.502SS..Hα-helixtrans-69.8-37173-72.5179.4175.1-174.2-3.9112.2D639 T643 R676 D677 K684D639-R680 VanDerWaalsContact OD1-CG 3.26Å; D639-R680 WeakPolarHBondContact OD1-CG 3.46Å; D639-R680 IonicContact OD1-CZ 3.12Å; D639-R680 IonicContact OD1-NE 3.65Å; D639-R680 PolarHBondContact OD1-NE 2.85Å; D639-R680 IonicContact OD1-NH2 3.77Å; D639-R680 PolarHBondContact OD1-NH2 3.04Å; D639-R680 IonicContact OD2-CZ 3.97Å; D639-R680 IonicContact OD2-NE 3.88Å; D639-R680 PolarHBondContact OD2-NE 3.41Å; D639-R680 IonicContact OD2-NH2 2.95Å; D639-R680 PolarHBondContact OD2-NH2 3.32Å; T643-R680 PolarHBondContact OG1-NH2 3.35Å; R676-R680 WeakPolarHBondContact O-CG 3.36Å; R676-R680 PolarHBondContact O-N 3.1Å; D677-R680 PolarHBondContact O-N 3.2Å; R680-K684 WeakPolarHBondContact O-CG 3.18Å; R680-K684 PolarHBondContact O-N 3.31Å
681Q86.1Confident81.4Confident119 Ų119105.4 Ų105.456%0.55651%0.506SS*.Hα-helixtrans-68.7-43176.6-75.9173.8-0.200112.1D677 R678 R683 K684 Q685D677-Q681 WeakPolarHBondContact O-CB 3.33Å; D677-Q681 VanDerWaalsContact O-CG 3.25Å; D677-Q681 WeakPolarHBondContact O-CG 3.34Å; D677-Q681 PolarHBondContact O-N 3.33Å; R678-Q681 PolarHBondContact O-N 2.75Å; Q681-R683 VanDerWaalsContact C-N 3.35Å; Q681-R683 PolarHBondContact O-N 2.75Å; Q681-K684 PolarHBondContact O-N 3.13Å; Q681-K684 VanDerWaalsContact O-N 3.14Å; Q681-Q685 WeakPolarHBondContact O-CG 3.46Å; Q681-Q685 PolarHBondContact O-N 3.34Å
682S81.2Confident80.6Confident62 Ų62105.3 Ų105.343%0.43451%0.506SS..Hα-helixtrans-63.4-40177.664.10000112.3R678 L679 K684 Q685 T686R678-S682 PolarHBondContact O-N 2.58Å; R678-S682 PolarHBondContact O-OG 3.28Å; L679-S682 PolarHBondContact O-OG 3.46Å; S682-K684 VanDerWaalsContact C-N 3.31Å; S682-K684 PolarHBondContact O-N 3.41Å; S682-Q685 PolarHBondContact O-N 3.07Å; S682-Q685 VanDerWaalsContact O-N 3.14Å; S682-T686 PolarHBondContact O-N 3.04Å; S682-T686 PolarHBondContact O-OG1 3.11Å
683R76Confident79.8Confident145 Ų145111.9 Ų111.955%0.54754%0.538SS..Hα-helixtrans-65-28.4173-83.3-177.4163.3-179.3-3.8114.2L679 Q681 Q685L679-R683 PolarHBondContact O-N 3.11Å; Q681-R683 VanDerWaalsContact C-N 3.35Å; Q681-R683 PolarHBondContact O-N 2.75Å; R683-Q685 VanDerWaalsContact C-N 3.31Å
684K72.6Confident78.9Confident185 Ų185116 Ų11680%0.80456%0.556SS**Hα-helixtrans-77.5-17.3173.8-76.3-179.8179.6-174.10113.2R680 Q681 S682R680-K684 WeakPolarHBondContact O-CG 3.18Å; R680-K684 PolarHBondContact O-N 3.31Å; Q681-K684 PolarHBondContact O-N 3.13Å; Q681-K684 VanDerWaalsContact O-N 3.14Å; S682-K684 VanDerWaalsContact C-N 3.31Å; S682-K684 PolarHBondContact O-N 3.41Å
685Q61.9Low77.9Confident163 Ų163114.2 Ų114.276%0.76255%0.552SS**SBendtrans-100.7-3.3-178.8-70.5178.1-7.800113.3Q681 S682 R683Q681-Q685 WeakPolarHBondContact O-CG 3.46Å; Q681-Q685 PolarHBondContact O-N 3.34Å; S682-Q685 PolarHBondContact O-N 3.07Å; S682-Q685 VanDerWaalsContact O-N 3.14Å; R683-Q685 VanDerWaalsContact C-N 3.31Å
686T50.8Low76.8Confident99 Ų99117.1 Ų117.161%0.60757%0.567SS**  trans-96.4116.5170.2-3.40000107.7S682S682-T686 PolarHBondContact O-N 3.04Å; S682-T686 PolarHBondContact O-OG1 3.11Å
687P45.6Very low75.5Confident197 Ų197123.8 Ų123.8100%1.27960%0.604SS**  trans-66.30-176.926.3-33.2000113.8

Retrieved 687 of 687 residues in 407.4 ms (Link to these results)

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