A0A060XT69_ONCMY Loading...

Transmembrane protein 129, E3 ubiquitin protein ligase

AlphaFold DB , UniProt , Accession A0A060XT69, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene tmem129, Length 362 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
1M46.1Very low83.1Confident205 Ų20592.9 Ų92.9100%1.0150%0.497SS*.  082.30-128.7171.198.400105.7R3M1-R3 PolarHBondContact O-N 2.85Å
2D64.3Low84.1Confident156 Ų15688.4 Ų88.483%0.83447%0.469SS*.  trans-83.4110.7-177.6-61.3-34.1000107.2P4D2-P4 WeakPolarHBondContact O-CD 3.5Å
3R80.6Confident84.9Confident145 Ų14589.8 Ų89.855%0.54747%0.474SS..  trans-90.789.9171.9-78.2-172.8172.9168-2.2107.8M1 E5 V6 T7M1-R3 PolarHBondContact O-N 2.85Å; R3-E5 WeakPolarHBondContact CA-OE2 3.25Å; R3-E5 WeakPolarHBondContact CB-OE1 3.46Å; R3-E5 PolarHBondContact O-N 3.16Å; R3-E5 VanDerWaalsContact O-N 3.12Å; R3-V6 HydrophobicContact CB-CB 4.1Å; R3-V6 HydrophobicContact CB-CG2 3.81Å; R3-V6 PolarHBondContact O-N 2.91Å; R3-T7 PolarHBondContact O-N 3Å
4P83.5Confident85.6Confident73 Ų7389.9 Ų89.947%0.47448%0.48SS..Hα-helixtrans-55.6-31.3-174.524.5-36000112.4D2 V6 F8D2-P4 WeakPolarHBondContact O-CD 3.5Å; P4-V6 PolarHBondContact O-N 3.28Å; P4-F8 VanDerWaalsContact O-CB 3.22Å; P4-F8 WeakPolarHBondContact O-CB 3.42Å; P4-F8 PolarHBondContact O-N 3.27Å
5E87Confident86Confident35 Ų3590.3 Ų90.316%0.16448%0.481CS..Hα-helixtrans-65.5-35.1177.672.1-78-172.400113.4R3 S9 M74 A78R3-E5 WeakPolarHBondContact CA-OE2 3.25Å; R3-E5 WeakPolarHBondContact CB-OE1 3.46Å; R3-E5 PolarHBondContact O-N 3.16Å; R3-E5 VanDerWaalsContact O-N 3.12Å; E5-S9 VanDerWaalsContact O-CB 3.3Å; E5-S9 WeakPolarHBondContact O-CB 3.43Å; E5-S9 PolarHBondContact O-N 3.3Å; E5-S9 PolarHBondContact O-OG 2.9Å; E5-M74 HydrophobicContact CB-CE 4.03Å; E5-A78 HydrophobicContact CB-CB 4.02Å
6V88.3Confident86.5Confident67 Ų6785.8 Ų85.841%0.40646%0.461SS..Hα-helixtrans-75.3-46.1178.5177.50000109.6R3 P4 F8 S9 L10R3-V6 HydrophobicContact CB-CB 4.1Å; R3-V6 HydrophobicContact CB-CG2 3.81Å; R3-V6 PolarHBondContact O-N 2.91Å; P4-V6 PolarHBondContact O-N 3.28Å; V6-F8 PolarHBondContact O-N 2.75Å; V6-S9 PolarHBondContact O-N 3.46Å; V6-L10 HydrophobicContact CG1-CD1 4.19Å; V6-L10 WeakPolarHBondContact O-CG 3.33Å; V6-L10 PolarHBondContact O-N 2.96Å
7T90.7Very high86.9Confident93 Ų9388.2 Ų88.257%0.57147%0.466SS*.Hα-helixtrans-60.6-45.9176.7-54.90000111.2R3 S9 L10 A11R3-T7 PolarHBondContact O-N 3Å; T7-S9 PolarHBondContact O-N 2.75Å; T7-L10 PolarHBondContact O-N 3.42Å; T7-A11 WeakPolarHBondContact O-CB 3.46Å; T7-A11 PolarHBondContact O-N 3.43Å
8F92.8Very high87.1Confident59 Ų5984.7 Ų84.726%0.25945%0.45SS..Hα-helixtrans-59.6-45.7175177-93.8000111.5P4 V6 L10 A11 Y12 Y70 M74 A77P4-F8 VanDerWaalsContact O-CB 3.22Å; P4-F8 WeakPolarHBondContact O-CB 3.42Å; P4-F8 PolarHBondContact O-N 3.27Å; V6-F8 PolarHBondContact O-N 2.75Å; F8-L10 PolarHBondContact O-N 3.12Å; F8-A11 PolarHBondContact O-N 3.04Å; F8-Y12 HydrophobicContact CE1-CD2 4.26Å; F8-Y12 HydrophobicContact CE1-CG 4.43Å; F8-Y12 AromaticContact CZ-CD2 3.79Å; F8-Y12 HydrophobicContact CZ-CD2 3.79Å; F8-Y12 HydrophobicContact CZ-CG 4.37Å; F8-Y12 VanDerWaalsContact O-CB 3.3Å; F8-Y12 WeakPolarHBondContact O-CB 3.39Å; F8-Y12 PolarHBondContact O-N 2.79Å; F8-Y70 HydrophobicContact CD1-CE2 4.3Å; F8-Y70 AromaticContact CE1-CD2 3.99Å; F8-Y70 HydrophobicContact CE1-CD2 3.99Å; F8-Y70 HydrophobicContact CE1-CE2 4.06Å; F8-M74 HydrophobicContact CD1-CG 4.13Å; F8-M74 HydrophobicContact CD1-SD 3.56Å; F8-M74 VanDerWaalsContact CD1-SD 3.56Å; F8-M74 HydrophobicContact CE1-CG 3.99Å; F8-M74 HydrophobicContact CE1-SD 4.06Å; F8-A77 HydrophobicContact CB-CB 3.83Å; F8-A77 HydrophobicContact CD1-CB 4.06Å; F8-A77 HydrophobicContact CD2-CB 4.15Å; F8-A77 HydrophobicContact CG-CB 3.72Å
9S93.2Very high87.2Confident21 Ų2181.7 Ų81.715%0.14743%0.433CS..Hα-helixtrans-62.7-44.2-179-62.20000112.5E5 V6 T7 Y12 I13 Y70E5-S9 VanDerWaalsContact O-CB 3.3Å; E5-S9 WeakPolarHBondContact O-CB 3.43Å; E5-S9 PolarHBondContact O-N 3.3Å; E5-S9 PolarHBondContact O-OG 2.9Å; V6-S9 PolarHBondContact O-N 3.46Å; T7-S9 PolarHBondContact O-N 2.75Å; S9-Y12 PolarHBondContact O-N 2.58Å; S9-I13 WeakPolarHBondContact O-CB 3.47Å; S9-I13 WeakPolarHBondContact O-CD1 3.46Å; S9-I13 WeakPolarHBondContact O-CG1 3.15Å; S9-I13 PolarHBondContact O-N 3.22Å; S9-Y70 PolarHBondContact OG-OH 3.46Å
10L93.8Very high87.4Confident109 Ų10979.1 Ų79.157%0.57142%0.42SS*.Hα-helixtrans-62.4-48175.7-71.2171.5000111.4V6 T7 F8 Y12 I13 V14V6-L10 HydrophobicContact CG1-CD1 4.19Å; V6-L10 WeakPolarHBondContact O-CG 3.33Å; V6-L10 PolarHBondContact O-N 2.96Å; T7-L10 PolarHBondContact O-N 3.42Å; F8-L10 PolarHBondContact O-N 3.12Å; L10-Y12 VanDerWaalsContact C-N 3.33Å; L10-Y12 PolarHBondContact O-N 3.13Å; L10-I13 PolarHBondContact O-N 3.08Å; L10-V14 WeakPolarHBondContact O-CG2 3.48Å; L10-V14 PolarHBondContact O-N 2.98Å
11A93.9Very high87.4Confident59 Ų5981.6 Ų81.649%0.48843%0.428SS..Hα-helixtrans-60.4-42.7178.100000112T7 F8 V14 L15T7-A11 WeakPolarHBondContact O-CB 3.46Å; T7-A11 PolarHBondContact O-N 3.43Å; F8-A11 PolarHBondContact O-N 3.04Å; A11-V14 PolarHBondContact O-N 2.96Å; A11-L15 WeakPolarHBondContact O-CB 3.3Å; A11-L15 PolarHBondContact O-N 2.82Å
12Y95.1Very high89.2Confident39 Ų3973.7 Ų73.715%0.15339%0.391CS..Hα-helixtrans-66.7-42.1178.9-167.1-83000112.1F8 S9 L10 V14 L15 A16 L66 Y70F8-Y12 HydrophobicContact CE1-CD2 4.26Å; F8-Y12 HydrophobicContact CE1-CG 4.43Å; F8-Y12 AromaticContact CZ-CD2 3.79Å; F8-Y12 HydrophobicContact CZ-CD2 3.79Å; F8-Y12 HydrophobicContact CZ-CG 4.37Å; F8-Y12 VanDerWaalsContact O-CB 3.3Å; F8-Y12 WeakPolarHBondContact O-CB 3.39Å; F8-Y12 PolarHBondContact O-N 2.79Å; S9-Y12 PolarHBondContact O-N 2.58Å; L10-Y12 VanDerWaalsContact C-N 3.33Å; L10-Y12 PolarHBondContact O-N 3.13Å; Y12-V14 VanDerWaalsContact C-N 3.34Å; Y12-V14 PolarHBondContact O-N 3.32Å; Y12-L15 PolarHBondContact O-N 3.11Å; Y12-A16 HydrophobicContact CD1-CB 4.3Å; Y12-A16 HydrophobicContact CE1-CB 4.07Å; Y12-A16 VanDerWaalsContact O-CB 3.25Å; Y12-A16 WeakPolarHBondContact O-CB 3.45Å; Y12-A16 PolarHBondContact O-N 2.79Å; Y12-L66 PolarHBondContact OH-O 3.14Å; Y12-Y70 AromaticContact CD1-CD2 3.59Å; Y12-Y70 HydrophobicContact CD1-CD2 3.59Å; Y12-Y70 HydrophobicContact CD1-CG 4.1Å; Y12-Y70 HydrophobicContact CD2-CD2 4.46Å; Y12-Y70 HydrophobicContact CE1-CD2 4.22Å; Y12-Y70 HydrophobicContact CE1-CG 4.3Å; Y12-Y70 AromaticContact CG-CD2 3.76Å; Y12-Y70 HydrophobicContact CG-CD2 3.76Å; Y12-Y70 PolarHBondContact OH-N 3.37Å
13I94.4Very high90.2Very high106 Ų10668.2 Ų68.254%0.54436%0.364SS..Hα-helixtrans-61.6-45.3177.2-71.7165.5000110.3S9 L10 A16 F17S9-I13 WeakPolarHBondContact O-CB 3.47Å; S9-I13 WeakPolarHBondContact O-CD1 3.46Å; S9-I13 WeakPolarHBondContact O-CG1 3.15Å; S9-I13 PolarHBondContact O-N 3.22Å; L10-I13 PolarHBondContact O-N 3.08Å; I13-A16 PolarHBondContact O-N 3.37Å; I13-F17 VanDerWaalsContact O-CB 3.22Å; I13-F17 WeakPolarHBondContact O-CB 3.43Å; I13-F17 PolarHBondContact O-N 2.96Å
14V94.1Very high90.2Very high92 Ų9264 Ų6456%0.55835%0.352SS*.Hα-helixtrans-61.9-47.3176.4173.70000110.5L10 A11 Y12 A16 F17 C18L10-V14 WeakPolarHBondContact O-CG2 3.48Å; L10-V14 PolarHBondContact O-N 2.98Å; A11-V14 PolarHBondContact O-N 2.96Å; Y12-V14 VanDerWaalsContact C-N 3.34Å; Y12-V14 PolarHBondContact O-N 3.32Å; V14-A16 PolarHBondContact O-N 3.47Å; V14-F17 PolarHBondContact O-N 3.14Å; V14-C18 WeakPolarHBondContact O-CB 3.4Å; V14-C18 PolarHBondContact O-N 3.02Å; V14-C18 PolarHBondContact O-SG 3.37Å
15L92.3Very high90.2Very high95 Ų9566.3 Ų66.350%0.49736%0.357SS..Hα-helixtrans-58.6-48.7177.3-174.482.7000111.7A11 Y12 C18 F19 F26A11-L15 WeakPolarHBondContact O-CB 3.3Å; A11-L15 PolarHBondContact O-N 2.82Å; Y12-L15 PolarHBondContact O-N 3.11Å; L15-C18 PolarHBondContact O-N 3.29Å; L15-F19 VanDerWaalsContact O-CB 3.24Å; L15-F19 WeakPolarHBondContact O-CB 3.31Å; L15-F19 PolarHBondContact O-N 3.18Å; L15-F26 HydrophobicContact CD1-CE1 4.25Å; L15-F26 HydrophobicContact CD1-CZ 4.22Å
16A93.9Very high90Very high19 Ų1967 Ų6716%0.15736%0.359CS..Hα-helixtrans-65-40.7-179.900000111.4Y12 I13 V14 F19 V20 L66Y12-A16 HydrophobicContact CD1-CB 4.3Å; Y12-A16 HydrophobicContact CE1-CB 4.07Å; Y12-A16 VanDerWaalsContact O-CB 3.25Å; Y12-A16 WeakPolarHBondContact O-CB 3.45Å; Y12-A16 PolarHBondContact O-N 2.79Å; I13-A16 PolarHBondContact O-N 3.37Å; V14-A16 PolarHBondContact O-N 3.47Å; A16-F19 PolarHBondContact O-N 2.95Å; A16-V20 WeakPolarHBondContact O-CB 3.48Å; A16-V20 VanDerWaalsContact O-CG2 3.31Å; A16-V20 WeakPolarHBondContact O-CG2 3.32Å; A16-V20 PolarHBondContact O-N 3.29Å; A16-L66 HydrophobicContact CB-CD1 4.44Å
17F92.6Very high89.7Confident126 Ų12667.7 Ų67.755%0.55335%0.354SS*.Hα-helixtrans-62.4-49.2175-177.1-92.9000111.2I13 V14 F19 V20 F21I13-F17 VanDerWaalsContact O-CB 3.22Å; I13-F17 WeakPolarHBondContact O-CB 3.43Å; I13-F17 PolarHBondContact O-N 2.96Å; V14-F17 PolarHBondContact O-N 3.14Å; F17-F19 VanDerWaalsContact C-N 3.28Å; F17-F19 PolarHBondContact O-N 3.49Å; F17-V20 PolarHBondContact O-N 3.02Å; F17-F21 AromaticContact CD2-CD2 3.67Å; F17-F21 HydrophobicContact CD2-CD2 3.67Å; F17-F21 HydrophobicContact CD2-CE2 4.01Å; F17-F21 HydrophobicContact CE1-CB 4.41Å; F17-F21 HydrophobicContact CE1-CD2 4.39Å; F17-F21 AromaticContact CE2-CD2 3.45Å; F17-F21 HydrophobicContact CE2-CD2 3.45Å; F17-F21 VanDerWaalsContact CE2-CD2 3.45Å; F17-F21 AromaticContact CE2-CE2 3.71Å; F17-F21 HydrophobicContact CE2-CE2 3.71Å; F17-F21 HydrophobicContact CE2-CG 4.33Å; F17-F21 HydrophobicContact CG-CD2 4.23Å; F17-F21 HydrophobicContact CZ-CB 4.46Å; F17-F21 AromaticContact CZ-CD2 3.85Å; F17-F21 HydrophobicContact CZ-CD2 3.85Å; F17-F21 HydrophobicContact CZ-CE2 4.42Å; F17-F21 HydrophobicContact CZ-CG 4.31Å; F17-F21 WeakPolarHBondContact O-CA 3.24Å; F17-F21 WeakPolarHBondContact O-CB 3.48Å; F17-F21 PolarHBondContact O-N 2.67Å
18C90.5Very high89.3Confident25 Ų2568.1 Ų68.117%0.16936%0.361CS..Hα-helixtrans-64.7-31176.1-68.80000112.5V14 L15 F21 T22 P23 F26V14-C18 WeakPolarHBondContact O-CB 3.4Å; V14-C18 PolarHBondContact O-N 3.02Å; V14-C18 PolarHBondContact O-SG 3.37Å; L15-C18 PolarHBondContact O-N 3.29Å; C18-F21 CarbonylContact O-C 3.34Å; C18-T22 WeakPolarHBondContact O-CA 3.41Å; C18-T22 PolarHBondContact O-N 3.06Å; C18-P23 HydrophobicContact CB-CG 4.42Å; C18-P23 VanDerWaalsContact O-CD 3.26Å; C18-P23 WeakPolarHBondContact O-CD 3.37Å; C18-F26 HydrophobicContact CB-CD1 4.2Å; C18-F26 HydrophobicContact CB-CD2 3.98Å; C18-F26 HydrophobicContact CB-CE1 3.8Å; C18-F26 HydrophobicContact CB-CE2 3.55Å; C18-F26 HydrophobicContact CB-CG 4.29Å; C18-F26 HydrophobicContact CB-CZ 3.46Å; C18-F26 VanDerWaalsContact CB-CZ 3.46Å
19F90.3Very high88.9Confident28 Ų2868.5 Ų68.512%0.12338%0.375CS..Hα-helixtrans-73.3-38.9176.7-172.9-100.9000112.3L15 A16 F17 T22 V33 L36 V62 H63 L66L15-F19 VanDerWaalsContact O-CB 3.24Å; L15-F19 WeakPolarHBondContact O-CB 3.31Å; L15-F19 PolarHBondContact O-N 3.18Å; A16-F19 PolarHBondContact O-N 2.95Å; F17-F19 VanDerWaalsContact C-N 3.28Å; F17-F19 PolarHBondContact O-N 3.49Å; F19-T22 WeakPolarHBondContact O-CG2 3.44Å; F19-V33 HydrophobicContact CE1-CG2 4.09Å; F19-V33 HydrophobicContact CZ-CG2 3.86Å; F19-L36 HydrophobicContact CE2-CD1 4.04Å; F19-L36 HydrophobicContact CZ-CD1 4.2Å; F19-V62 HydrophobicContact CE1-CG1 3.65Å; F19-V62 HydrophobicContact CZ-CG1 3.86Å; F19-H63 AromaticContact CD1-NE2 3.94Å; F19-H63 AromaticContact CE1-CD2 3.69Å; F19-H63 AromaticContact CE1-NE2 3.75Å; F19-L66 HydrophobicContact CD1-CD1 4.36Å; F19-L66 HydrophobicContact CD1-CD2 4.2Å
20V90.7Very high88.4Confident29 Ų2968.6 Ų68.618%0.17638%0.379CS..Hα-helixtrans-75.3-43.7177.2173.80000111.5A16 F17 L66A16-V20 WeakPolarHBondContact O-CB 3.48Å; A16-V20 VanDerWaalsContact O-CG2 3.31Å; A16-V20 WeakPolarHBondContact O-CG2 3.32Å; A16-V20 PolarHBondContact O-N 3.29Å; F17-V20 PolarHBondContact O-N 3.02Å; V20-L66 HydrophobicContact CG2-CD1 3.51Å
21F87.6Confident87.9Confident133 Ų13369 Ų6958%0.58338%0.377SS*.SBendtrans-106.167.1176.8-61.5-78.5000109.5F17 C18 P23F17-F21 AromaticContact CD2-CD2 3.67Å; F17-F21 HydrophobicContact CD2-CD2 3.67Å; F17-F21 HydrophobicContact CD2-CE2 4.01Å; F17-F21 HydrophobicContact CE1-CB 4.41Å; F17-F21 HydrophobicContact CE1-CD2 4.39Å; F17-F21 AromaticContact CE2-CD2 3.45Å; F17-F21 HydrophobicContact CE2-CD2 3.45Å; F17-F21 VanDerWaalsContact CE2-CD2 3.45Å; F17-F21 AromaticContact CE2-CE2 3.71Å; F17-F21 HydrophobicContact CE2-CE2 3.71Å; F17-F21 HydrophobicContact CE2-CG 4.33Å; F17-F21 HydrophobicContact CG-CD2 4.23Å; F17-F21 HydrophobicContact CZ-CB 4.46Å; F17-F21 AromaticContact CZ-CD2 3.85Å; F17-F21 HydrophobicContact CZ-CD2 3.85Å; F17-F21 HydrophobicContact CZ-CE2 4.42Å; F17-F21 HydrophobicContact CZ-CG 4.31Å; F17-F21 WeakPolarHBondContact O-CA 3.24Å; F17-F21 WeakPolarHBondContact O-CB 3.48Å; F17-F21 PolarHBondContact O-N 2.67Å; C18-F21 CarbonylContact O-C 3.34Å; F21-P23 WeakPolarHBondContact O-CD 3.26Å
22T84.3Confident87.6Confident39 Ų3966.5 Ų66.524%0.23936%0.355CS..  trans-50.9103.7-174.855.90000112.7C18 F19 T32C18-T22 WeakPolarHBondContact O-CA 3.41Å; C18-T22 PolarHBondContact O-N 3.06Å; F19-T22 WeakPolarHBondContact O-CG2 3.44Å; T22-T32 HydrophobicContact CG2-CG2 4.25Å
23P84Confident87.2Confident40 Ų4064.9 Ų64.926%0.2635%0.349SS..  trans-71.3172.4172.136.4-40000109.8C18 F21 E25 F26 R27C18-P23 HydrophobicContact CB-CG 4.42Å; C18-P23 VanDerWaalsContact O-CD 3.26Å; C18-P23 WeakPolarHBondContact O-CD 3.37Å; F21-P23 WeakPolarHBondContact O-CD 3.26Å; P23-E25 WeakPolarHBondContact CB-OE2 3.3Å; P23-E25 PolarHBondContact O-N 3.2Å; P23-F26 HydrophobicContact CG-CB 4.16Å; P23-F26 HydrophobicContact CG-CD2 3.74Å; P23-F26 HydrophobicContact CG-CG 4.21Å; P23-F26 PolarHBondContact O-N 3.24Å; P23-R27 PolarHBondContact O-N 3.21Å; P23-R27 VanDerWaalsContact O-N 3.09Å
24N80.9Confident86.9Confident56 Ų5661.4 Ų61.430%0.29933%0.331SS..Hα-helixtrans-61.1-32.8-174.8-76.6-11.4000112R27 S28 D202N24-R27 WeakPolarHBondContact O-CB 3.4Å; N24-R27 PolarHBondContact O-N 3.33Å; N24-R27 PolarHBondContact OD1-NH1 2.98Å; N24-S28 WeakPolarHBondContact O-CB 3.49Å; N24-S28 PolarHBondContact O-N 3.46Å; N24-S28 PolarHBondContact O-OG 3.37Å; N24-D202 PolarHBondContact ND2-OD1 3.01Å
25E84.4Confident86.6Confident123 Ų12361 Ų6158%0.57533%0.326SS*.Hα-helixtrans-67.8-42.3179.4-57.974.1-16300112.1P23 R27 S28 A29P23-E25 WeakPolarHBondContact CB-OE2 3.3Å; P23-E25 PolarHBondContact O-N 3.2Å; E25-R27 VanDerWaalsContact C-N 3.29Å; E25-R27 PolarHBondContact O-N 3.39Å; E25-S28 WeakPolarHBondContact CA-OG 3.33Å; E25-S28 PolarHBondContact O-N 3.49Å; E25-S28 PolarHBondContact O-OG 2.94Å; E25-A29 VanDerWaalsContact O-CB 3.23Å; E25-A29 WeakPolarHBondContact O-CB 3.18Å; E25-A29 PolarHBondContact O-N 2.83Å
26F82.7Confident86.4Confident48 Ų4861.1 Ų61.121%0.21133%0.327CS..Hα-helixtrans-68.5-35174.9-87.3-118.3000110.9L15 C18 P23 G30 F31L15-F26 HydrophobicContact CD1-CE1 4.25Å; L15-F26 HydrophobicContact CD1-CZ 4.22Å; C18-F26 HydrophobicContact CB-CD1 4.2Å; C18-F26 HydrophobicContact CB-CD2 3.98Å; C18-F26 HydrophobicContact CB-CE1 3.8Å; C18-F26 HydrophobicContact CB-CE2 3.55Å; C18-F26 HydrophobicContact CB-CG 4.29Å; C18-F26 HydrophobicContact CB-CZ 3.46Å; C18-F26 VanDerWaalsContact CB-CZ 3.46Å; P23-F26 HydrophobicContact CG-CB 4.16Å; P23-F26 HydrophobicContact CG-CD2 3.74Å; P23-F26 HydrophobicContact CG-CG 4.21Å; P23-F26 PolarHBondContact O-N 3.24Å; F26-G30 PolarHBondContact O-N 3.4Å; F26-F31 HydrophobicContact CB-CB 4.41Å; F26-F31 HydrophobicContact CD1-CB 3.82Å; F26-F31 HydrophobicContact CG-CB 4.44Å; F26-F31 PolarHBondContact O-N 3.45Å
27R81.9Confident86.3Confident82 Ų8264.2 Ų64.231%0.30934%0.336SS..Hα-helixtrans-65.2-46.4175.7-168.5-176.2-60.2138.26.9111.5P23 N24 E25 G30 T32P23-R27 PolarHBondContact O-N 3.21Å; P23-R27 VanDerWaalsContact O-N 3.09Å; N24-R27 WeakPolarHBondContact O-CB 3.4Å; N24-R27 PolarHBondContact O-N 3.33Å; N24-R27 PolarHBondContact OD1-NH1 2.98Å; E25-R27 VanDerWaalsContact C-N 3.29Å; E25-R27 PolarHBondContact O-N 3.39Å; R27-G30 PolarHBondContact O-N 3.48Å; R27-G30 VanDerWaalsContact O-N 3.17Å; R27-T32 HydrophobicContact CB-CG2 4.33Å; R27-T32 HydrophobicContact CG-CG2 4.26Å
28S81.6Confident86.1Confident103 Ų10361.5 Ų61.572%0.7233%0.333SS*.Hα-helixtrans-69-36.3179.762.80000112.4N24 E25 G30N24-S28 WeakPolarHBondContact O-CB 3.49Å; N24-S28 PolarHBondContact O-N 3.46Å; N24-S28 PolarHBondContact O-OG 3.37Å; E25-S28 WeakPolarHBondContact CA-OG 3.33Å; E25-S28 PolarHBondContact O-N 3.49Å; E25-S28 PolarHBondContact O-OG 2.94Å; S28-G30 PolarHBondContact O-N 2.98Å
29A84.1Confident86Confident67 Ų6764 Ų6455%0.55436%0.363SS*.THydrogen-bonded Turntrans-71.9-7.117300000113.7E25 F31E25-A29 VanDerWaalsContact O-CB 3.23Å; E25-A29 WeakPolarHBondContact O-CB 3.18Å; E25-A29 PolarHBondContact O-N 2.83Å; A29-F31 VanDerWaalsContact C-N 3.34Å; A29-F31 HydrophobicContact CB-CD2 3.82Å; A29-F31 HydrophobicContact CB-CE2 4.34Å; A29-F31 PolarHBondContact O-N 3.16Å
30G82.6Confident85.9Confident22 Ų2268.8 Ų68.823%0.22738%0.38CS..THydrogen-bonded Turntrans81.38.3177.800000115.2F26 R27 S28 T32 N35F26-G30 PolarHBondContact O-N 3.4Å; R27-G30 PolarHBondContact O-N 3.48Å; R27-G30 VanDerWaalsContact O-N 3.17Å; S28-G30 PolarHBondContact O-N 2.98Å; G30-T32 PolarHBondContact O-N 3.36Å; G30-N35 WeakPolarHBondContact CA-ND2 3.13Å; G30-N35 WeakPolarHBondContact O-CB 3.39Å
31F84.8Confident85.9Confident117 Ų11767.5 Ų67.551%0.51337%0.373SS..  trans-7962.9176.1-75.6-74.6000111.7F26 A29F26-F31 HydrophobicContact CB-CB 4.41Å; F26-F31 HydrophobicContact CD1-CB 3.82Å; F26-F31 HydrophobicContact CG-CB 4.44Å; F26-F31 PolarHBondContact O-N 3.45Å; A29-F31 VanDerWaalsContact C-N 3.34Å; A29-F31 HydrophobicContact CB-CD2 3.82Å; A29-F31 HydrophobicContact CB-CE2 4.34Å; A29-F31 PolarHBondContact O-N 3.16Å
32T87.1Confident86Confident7 Ų763.1 Ų63.14%0.04337%0.365CS..SBendtrans-128.3149.8175.171.30000110T22 R27 G30 Q34 N35 L36T22-T32 HydrophobicContact CG2-CG2 4.25Å; R27-T32 HydrophobicContact CB-CG2 4.33Å; R27-T32 HydrophobicContact CG-CG2 4.26Å; G30-T32 PolarHBondContact O-N 3.36Å; T32-Q34 VanDerWaalsContact CB-OE1 3.29Å; T32-Q34 PolarHBondContact O-N 3.22Å; T32-Q34 PolarHBondContact OG1-OE1 2.87Å; T32-N35 PolarHBondContact O-N 3.21Å; T32-N35 VanDerWaalsContact O-N 3.13Å; T32-N35 VanDerWaalsContact OG1-CG 3.28Å; T32-N35 PolarHBondContact OG1-N 3.17Å; T32-N35 PolarHBondContact OG1-ND2 2.97Å; T32-L36 WeakPolarHBondContact O-CG 3.47Å; T32-L36 PolarHBondContact O-N 3.45Å
33V87.4Confident86.2Confident5 Ų563.6 Ų63.63%0.0337%0.37CS..Hα-helixtrans-56.8-35.2176.1178.50000111F19 F37 V58 V62F19-V33 HydrophobicContact CE1-CG2 4.09Å; F19-V33 HydrophobicContact CZ-CG2 3.86Å; V33-F37 HydrophobicContact CG1-CD2 4.1Å; V33-F37 PolarHBondContact O-N 3.28Å; V33-F37 VanDerWaalsContact O-N 3.09Å; V33-V58 HydrophobicContact CG1-CB 4.42Å; V33-V58 HydrophobicContact CG1-CG1 3.63Å; V33-V62 HydrophobicContact CG1-CG2 4.46Å; V33-V62 HydrophobicContact CG2-CB 4.42Å; V33-V62 HydrophobicContact CG2-CG1 4.28Å
34Q87.9Confident86.6Confident33 Ų3362.7 Ų62.715%0.15436%0.362CS..Hα-helixtrans-61.9-44.6178.4-62.484.2-9.800111.9T32 S38 L41 R55T32-Q34 VanDerWaalsContact CB-OE1 3.29Å; T32-Q34 PolarHBondContact O-N 3.22Å; T32-Q34 PolarHBondContact OG1-OE1 2.87Å; Q34-S38 WeakPolarHBondContact O-CA 3.35Å; Q34-S38 WeakPolarHBondContact O-CB 3.48Å; Q34-S38 PolarHBondContact O-N 3.14Å; Q34-L41 HydrophobicContact CB-CD1 4.47Å; Q34-R55 HydrophobicContact CG-CG 4.13Å
35N87.8Confident86.9Confident83 Ų8364.7 Ų64.744%0.44437%0.373SS..Hα-helixtrans-75.9-42.3-178-68.7-16000111.6G30 T32 F37 S38G30-N35 WeakPolarHBondContact CA-ND2 3.13Å; G30-N35 WeakPolarHBondContact O-CB 3.39Å; T32-N35 PolarHBondContact O-N 3.21Å; T32-N35 VanDerWaalsContact O-N 3.13Å; T32-N35 VanDerWaalsContact OG1-CG 3.28Å; T32-N35 PolarHBondContact OG1-N 3.17Å; T32-N35 PolarHBondContact OG1-ND2 2.97Å; N35-F37 VanDerWaalsContact C-N 3.27Å; N35-F37 PolarHBondContact O-N 2.96Å; N35-S38 WeakPolarHBondContact O-CB 3.22Å; N35-S38 PolarHBondContact O-N 2.96Å; N35-S38 PolarHBondContact O-OG 3.39Å
36L88.6Confident87.1Confident99 Ų9964.5 Ų64.552%0.51837%0.374SS..Hα-helixtrans-61.1-35178.6-69.6172.7000112.7F19 T32F19-L36 HydrophobicContact CE2-CD1 4.04Å; F19-L36 HydrophobicContact CZ-CD1 4.2Å; T32-L36 WeakPolarHBondContact O-CG 3.47Å; T32-L36 PolarHBondContact O-N 3.45Å
37F90.8Very high87.6Confident83 Ų8362.6 Ų62.636%0.36437%0.369SS..THydrogen-bonded Turntrans-112.720.3-178.6-65.9-88.4000113.4V33 N35 G39 W40 L41 V58 V62V33-F37 HydrophobicContact CG1-CD2 4.1Å; V33-F37 PolarHBondContact O-N 3.28Å; V33-F37 VanDerWaalsContact O-N 3.09Å; N35-F37 VanDerWaalsContact C-N 3.27Å; N35-F37 PolarHBondContact O-N 2.96Å; F37-G39 VanDerWaalsContact C-N 3.29Å; F37-G39 PolarHBondContact O-N 3.42Å; F37-W40 PolarHBondContact O-N 3.47Å; F37-L41 HydrophobicContact CB-CD1 4.33Å; F37-L41 HydrophobicContact CB-CG 4.27Å; F37-L41 WeakPolarHBondContact O-CG 3.49Å; F37-L41 PolarHBondContact O-N 3.17Å; F37-V58 HydrophobicContact CB-CG1 4.19Å; F37-V58 HydrophobicContact CD1-CG1 4.15Å; F37-V58 HydrophobicContact CD2-CG1 3.67Å; F37-V58 HydrophobicContact CE1-CG1 4.49Å; F37-V58 HydrophobicContact CE2-CG1 4.05Å; F37-V58 HydrophobicContact CG-CG1 3.73Å; F37-V58 HydrophobicContact CZ-CG1 4.44Å; F37-V62 HydrophobicContact CD2-CG2 4.37Å; F37-V62 HydrophobicContact CE2-CG2 3.55Å; F37-V62 HydrophobicContact CZ-CG2 3.92Å
38S88.4Confident88.2Confident70 Ų7058.8 Ų58.849%0.4935%0.354SS..Hα-helixtrans-51.5-43.9-175.552.10000113.3Q34 N35 W40 L41 G42Q34-S38 WeakPolarHBondContact O-CA 3.35Å; Q34-S38 WeakPolarHBondContact O-CB 3.48Å; Q34-S38 PolarHBondContact O-N 3.14Å; N35-S38 WeakPolarHBondContact O-CB 3.22Å; N35-S38 PolarHBondContact O-N 2.96Å; N35-S38 PolarHBondContact O-OG 3.39Å; S38-W40 VanDerWaalsContact C-N 3.3Å; S38-W40 PolarHBondContact O-N 2.81Å; S38-L41 PolarHBondContact O-N 3.4Å; S38-G42 PolarHBondContact O-N 3.48Å; S38-G42 VanDerWaalsContact O-N 3.16Å
39G87.8Confident88.8Confident77 Ų7753.9 Ų53.979%0.79432%0.32SS*.Hα-helixtrans-62.2-30.4178.100000114.7F37F37-G39 VanDerWaalsContact C-N 3.29Å; F37-G39 PolarHBondContact O-N 3.42Å
40W89Confident89.3Confident128 Ų12854.8 Ų54.849%0.48531%0.313SS..Hα-helixtrans-89.6-34.7179.1-176.582.9000112.8F37 S38 G42 R54 V58F37-W40 PolarHBondContact O-N 3.47Å; S38-W40 VanDerWaalsContact C-N 3.3Å; S38-W40 PolarHBondContact O-N 2.81Å; W40-G42 VanDerWaalsContact C-N 3.29Å; W40-G42 PolarHBondContact O-N 3.15Å; W40-R54 HydrophobicContact CE3-CB 4.3Å; W40-R54 HydrophobicContact CH2-CB 3.99Å; W40-R54 HydrophobicContact CH2-CG 4.01Å; W40-R54 HydrophobicContact CZ3-CB 3.54Å; W40-R54 HydrophobicContact CZ3-CG 4Å; W40-V58 HydrophobicContact CD2-CG2 4.49Å; W40-V58 HydrophobicContact CE3-CG2 3.51Å; W40-V58 HydrophobicContact CH2-CG2 3.69Å; W40-V58 HydrophobicContact CZ3-CB 4.27Å; W40-V58 HydrophobicContact CZ3-CG2 3.04Å
41L90.4Very high89.9Confident3 Ų355 Ų552%0.01631%0.307CS..Hα-helixtrans-65.6-35.4178.5-66.2175.3000111.6Q34 F37 S38 Y51 R54 R55Q34-L41 HydrophobicContact CB-CD1 4.47Å; F37-L41 HydrophobicContact CB-CD1 4.33Å; F37-L41 HydrophobicContact CB-CG 4.27Å; F37-L41 WeakPolarHBondContact O-CG 3.49Å; F37-L41 PolarHBondContact O-N 3.17Å; S38-L41 PolarHBondContact O-N 3.4Å; L41-Y51 HydrophobicContact CB-CD2 3.95Å; L41-Y51 HydrophobicContact CB-CE2 3.64Å; L41-Y51 HydrophobicContact CD1-CE2 4.33Å; L41-R54 HydrophobicContact CD2-CB 3.89Å; L41-R55 HydrophobicContact CD1-CG 4.39Å; L41-R55 VanDerWaalsContact CD2-CA 3.4Å; L41-R55 HydrophobicContact CD2-CB 3.95Å
42G89.2Confident90.4Very high40 Ų4049.4 Ų49.441%0.41228%0.282SS..  trans78.7-160-173.300000111.6S38 W40 Y51S38-G42 PolarHBondContact O-N 3.48Å; S38-G42 VanDerWaalsContact O-N 3.16Å; W40-G42 VanDerWaalsContact C-N 3.29Å; W40-G42 PolarHBondContact O-N 3.15Å; G42-Y51 WeakPolarHBondContact O-CE2 3.27Å
43S89.4Confident90.7Very high49 Ų4949.3 Ų49.334%0.34328%0.282SS..  trans-98133-179.5168.60000111.7D45 I46 G47S43-D45 VanDerWaalsContact C-N 3.28Å; S43-D45 PolarHBondContact O-N 2.83Å; S43-D45 PolarHBondContact OG-N 3.23Å; S43-I46 PolarHBondContact O-N 3.21Å; S43-G47 PolarHBondContact O-N 2.88Å
44E91.6Very high91.1Very high21 Ų2153.9 Ų53.910%0.09830%0.299CS..THydrogen-bonded Turntrans-62.6-35.6172.4-170.1174.9-165.200112I46 G47 F48 Y51 H52 F149 R163E44-I46 VanDerWaalsContact C-N 3.29Å; E44-I46 PolarHBondContact O-N 2.67Å; E44-G47 CarbonylContact O-C 3.56Å; E44-G47 PolarHBondContact O-N 2.7Å; E44-F48 HydrophobicContact CG-CD2 3.92Å; E44-F48 WeakPolarHBondContact O-CA 3.27Å; E44-F48 PolarHBondContact O-N 2.92Å; E44-F48 VanDerWaalsContact O-N 3.07Å; E44-Y51 HydrophobicContact CB-CD1 3.66Å; E44-Y51 HydrophobicContact CB-CD2 4.32Å; E44-Y51 HydrophobicContact CB-CE1 3.81Å; E44-Y51 HydrophobicContact CB-CE2 4.47Å; E44-Y51 HydrophobicContact CB-CG 3.93Å; E44-Y51 HydrophobicContact CG-CD1 3.63Å; E44-Y51 HydrophobicContact CG-CE1 3.92Å; E44-Y51 HydrophobicContact CG-CG 4.27Å; E44-H52 IonicContact OE1-CE1 2.58Å; E44-H52 PolarHBondContact OE1-CE1 3.34Å; E44-H52 IonicContact OE1-NE2 3.93Å; E44-H52 PolarHBondContact OE1-NE2 2.83Å; E44-H52 VanDerWaalsContact OE1-NE2 3.07Å; E44-F149 HydrophobicContact CG-CE1 4.06Å; E44-F149 HydrophobicContact CG-CZ 3.99Å; E44-F149 WeakPolarHBondContact O-CE1 3.27Å; E44-R163 IonicContact OE1-CZ 3.58Å; E44-R163 IonicContact OE1-NE 3.4Å; E44-R163 IonicContact OE1-NH2 2.6Å; E44-R163 PolarHBondContact OE1-NH2 3.31Å; E44-R163 IonicContact OE2-CZ 2.81Å; E44-R163 IonicContact OE2-NH2 3.64Å; E44-R163 PolarHBondContact OE2-NH2 3.46Å
45D88.1Confident91.4Very high99 Ų9952.3 Ų52.353%0.52929%0.291SS..THydrogen-bonded Turntrans-67.9-29.7178.8-56.3-50.4000112.4S43 R150S43-D45 VanDerWaalsContact C-N 3.28Å; S43-D45 PolarHBondContact O-N 2.83Å; S43-D45 PolarHBondContact OG-N 3.23Å; D45-R150 WeakPolarHBondContact O-CG 3.32Å; D45-R150 PolarHBondContact O-NE 2.96Å
46I88.8Confident91.7Very high118 Ų11848.7 Ų48.761%0.60527%0.272SS*.THydrogen-bonded Turntrans-76.4-41.3176.2-61.4177000110.5S43 E44 R150S43-I46 PolarHBondContact O-N 3.21Å; E44-I46 VanDerWaalsContact C-N 3.29Å; E44-I46 PolarHBondContact O-N 2.67Å; I46-R150 PolarHBondContact O-NE 3.22Å; I46-R150 PolarHBondContact O-NH2 3.16Å
47G91.8Very high92.1Very high9 Ų944 Ų449%0.09325%0.247CC..  trans-156.883.1-175.300000112.3S43 E44 I49 Q50 Y51S43-G47 PolarHBondContact O-N 2.88Å; E44-G47 CarbonylContact O-C 3.56Å; E44-G47 PolarHBondContact O-N 2.7Å; G47-I49 PolarHBondContact O-N 2.94Å; G47-Q50 PolarHBondContact O-N 3.1Å; G47-Y51 WeakPolarHBondContact O-CB 3.42Å; G47-Y51 PolarHBondContact O-N 3.35Å
48F94.4Very high92.3Very high1 Ų140.7 Ų40.70%0.00423%0.234CC..Hα-helixtrans-49.2-52.3-177.3178.1-99.2000113.2E44 H52 V145 N146 F149 L165 M172 V174 V179E44-F48 HydrophobicContact CG-CD2 3.92Å; E44-F48 WeakPolarHBondContact O-CA 3.27Å; E44-F48 PolarHBondContact O-N 2.92Å; E44-F48 VanDerWaalsContact O-N 3.07Å; F48-H52 AromaticContact CD2-CD2 3.73Å; F48-H52 AromaticContact CD2-NE2 3.61Å; F48-H52 AromaticContact CE1-CD2 3.79Å; F48-H52 AromaticContact CE2-CD2 3.35Å; F48-H52 WeakPolarHBondContact CE2-CD2 3.41Å; F48-H52 AromaticContact CE2-NE2 3.02Å; F48-H52 WeakPolarHBondContact CE2-NE2 3.42Å; F48-H52 AromaticContact CZ-CD2 3.38Å; F48-H52 WeakPolarHBondContact CZ-CD2 3.4Å; F48-H52 AromaticContact CZ-NE2 3.44Å; F48-H52 WeakPolarHBondContact CZ-NE2 3.19Å; F48-H52 PolarHBondContact O-CD2 3.16Å; F48-H52 PolarHBondContact O-N 3.16Å; F48-V145 HydrophobicContact CD1-CG1 3.82Å; F48-V145 HydrophobicContact CE1-CG1 4.27Å; F48-N146 WeakPolarHBondContact CB-OD1 3.46Å; F48-N146 PolarHBondContact N-OD1 3.23Å; F48-N146 VanDerWaalsContact N-OD1 3.1Å; F48-F149 HydrophobicContact CB-CB 4.14Å; F48-F149 HydrophobicContact CB-CD1 3.79Å; F48-F149 HydrophobicContact CB-CD2 4.38Å; F48-F149 HydrophobicContact CB-CE1 4.33Å; F48-F149 HydrophobicContact CB-CG 3.82Å; F48-F149 HydrophobicContact CD2-CD1 4.15Å; F48-F149 AromaticContact CD2-CD2 3.63Å; F48-F149 HydrophobicContact CD2-CD2 3.63Å; F48-F149 HydrophobicContact CD2-CE1 4.1Å; F48-F149 AromaticContact CD2-CE2 3.58Å; F48-F149 HydrophobicContact CD2-CE2 3.58Å; F48-F149 AromaticContact CD2-CG 3.92Å; F48-F149 HydrophobicContact CD2-CG 3.92Å; F48-F149 AromaticContact CD2-CZ 3.83Å; F48-F149 HydrophobicContact CD2-CZ 3.83Å; F48-F149 HydrophobicContact CE2-CD2 4.08Å; F48-F149 AromaticContact CE2-CE2 3.89Å; F48-F149 HydrophobicContact CE2-CE2 3.89Å; F48-F149 HydrophobicContact CE2-CZ 4.42Å; F48-F149 HydrophobicContact CG-CB 4.45Å; F48-F149 HydrophobicContact CG-CD1 4.3Å; F48-F149 HydrophobicContact CG-CD2 4.05Å; F48-F149 HydrophobicContact CG-CE2 4.43Å; F48-F149 AromaticContact CG-CG 3.98Å; F48-F149 HydrophobicContact CG-CG 3.98Å; F48-L165 HydrophobicContact CD2-CD1 4.4Å; F48-L165 HydrophobicContact CE2-CD1 3.41Å; F48-L165 VanDerWaalsContact CE2-CD1 3.41Å; F48-L165 HydrophobicContact CZ-CD1 3.79Å; F48-M172 HydrophobicContact CD1-SD 4.14Å; F48-M172 HydrophobicContact CE1-SD 3.47Å; F48-M172 WeakPolarHBondContact CE1-SD 3.33Å; F48-M172 HydrophobicContact CZ-SD 3.91Å; F48-V174 HydrophobicContact CE2-CG2 4.17Å; F48-V174 HydrophobicContact CZ-CG2 3.85Å; F48-V179 HydrophobicContact CE1-CG1 4.36Å; F48-V179 HydrophobicContact CZ-CG1 4.43Å
49I95.2Very high92.6Very high1 Ų137.5 Ų37.51%0.00521%0.211CC..Hα-helixtrans-66-49.1-178.2-63.9-59000111.6G47 Y51 H52 V53 I124 L128 W138 A142 V145 N146 I181G47-I49 PolarHBondContact O-N 2.94Å; I49-Y51 VanDerWaalsContact C-N 3.33Å; I49-Y51 PolarHBondContact O-N 3.39Å; I49-H52 PolarHBondContact O-N 2.96Å; I49-V53 HydrophobicContact CG2-CG2 4.36Å; I49-V53 VanDerWaalsContact O-CG2 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.27Å; I49-V53 PolarHBondContact O-N 2.99Å; I49-I124 HydrophobicContact CG2-CG2 4.36Å; I49-L128 HydrophobicContact CD1-CD1 4.02Å; I49-L128 HydrophobicContact CD1-CD2 4.41Å; I49-L128 HydrophobicContact CG1-CD1 4.19Å; I49-L128 HydrophobicContact CG2-CD1 3.76Å; I49-W138 HydrophobicContact CG2-CZ3 4.36Å; I49-A142 HydrophobicContact CB-CB 4.09Å; I49-A142 HydrophobicContact CG1-CB 3.99Å; I49-A142 HydrophobicContact CG2-CB 3.91Å; I49-V145 HydrophobicContact CD1-CB 4.43Å; I49-V145 HydrophobicContact CD1-CG1 3.95Å; I49-V145 HydrophobicContact CG1-CB 4.27Å; I49-V145 HydrophobicContact CG1-CG1 4.11Å; I49-N146 PolarHBondContact N-OD1 3.29Å; I49-I181 HydrophobicContact CD1-CD1 3.72Å
50Q94.3Very high92.9Very high85 Ų8536 Ų3640%0.39719%0.185SC..Hα-helixtrans-64.8-39.5-178.6-69.980.7600111.5G47 V53 R54 N146G47-Q50 PolarHBondContact O-N 3.1Å; Q50-V53 PolarHBondContact O-N 3.22Å; Q50-R54 WeakPolarHBondContact O-CB 3.39Å; Q50-R54 WeakPolarHBondContact O-CG 3.18Å; Q50-R54 PolarHBondContact O-N 2.79Å; Q50-N146 PolarHBondContact OE1-ND2 3.34Å
51Y94.9Very high93.3Very high27 Ų2731 Ų3111%0.10617%0.167CC..Hα-helixtrans-57.1-49.5174173.8-99.8000110.6L41 G42 E44 G47 I49 R54 R55L41-Y51 HydrophobicContact CB-CD2 3.95Å; L41-Y51 HydrophobicContact CB-CE2 3.64Å; L41-Y51 HydrophobicContact CD1-CE2 4.33Å; G42-Y51 WeakPolarHBondContact O-CE2 3.27Å; E44-Y51 HydrophobicContact CB-CD1 3.66Å; E44-Y51 HydrophobicContact CB-CD2 4.32Å; E44-Y51 HydrophobicContact CB-CE1 3.81Å; E44-Y51 HydrophobicContact CB-CE2 4.47Å; E44-Y51 HydrophobicContact CB-CG 3.93Å; E44-Y51 HydrophobicContact CG-CD1 3.63Å; E44-Y51 HydrophobicContact CG-CE1 3.92Å; E44-Y51 HydrophobicContact CG-CG 4.27Å; G47-Y51 WeakPolarHBondContact O-CB 3.42Å; G47-Y51 PolarHBondContact O-N 3.35Å; I49-Y51 VanDerWaalsContact C-N 3.33Å; I49-Y51 PolarHBondContact O-N 3.39Å; Y51-R54 PolarHBondContact O-N 3.43Å; Y51-R55 VanDerWaalsContact O-CB 3.23Å; Y51-R55 WeakPolarHBondContact O-CB 3.48Å; Y51-R55 PolarHBondContact O-N 2.99Å
52H94.8Very high93.5Very high0 Ų032.2 Ų32.20%018%0.175CC..Hα-helixtrans-72.2-31.2-179.7-73.5-40.9000114.6E44 F48 I49 R55 T56 I124 V179E44-H52 IonicContact OE1-CE1 2.58Å; E44-H52 PolarHBondContact OE1-CE1 3.34Å; E44-H52 IonicContact OE1-NE2 3.93Å; E44-H52 PolarHBondContact OE1-NE2 2.83Å; E44-H52 VanDerWaalsContact OE1-NE2 3.07Å; F48-H52 AromaticContact CD2-CD2 3.73Å; F48-H52 AromaticContact CD2-NE2 3.61Å; F48-H52 AromaticContact CE1-CD2 3.79Å; F48-H52 AromaticContact CE2-CD2 3.35Å; F48-H52 WeakPolarHBondContact CE2-CD2 3.41Å; F48-H52 AromaticContact CE2-NE2 3.02Å; F48-H52 WeakPolarHBondContact CE2-NE2 3.42Å; F48-H52 AromaticContact CZ-CD2 3.38Å; F48-H52 WeakPolarHBondContact CZ-CD2 3.4Å; F48-H52 AromaticContact CZ-NE2 3.44Å; F48-H52 WeakPolarHBondContact CZ-NE2 3.19Å; F48-H52 PolarHBondContact O-CD2 3.16Å; F48-H52 PolarHBondContact O-N 3.16Å; I49-H52 PolarHBondContact O-N 2.96Å; H52-R55 PolarHBondContact CE1-NH1 3.14Å; H52-R55 PolarHBondContact ND1-NE 2.86Å; H52-R55 PolarHBondContact ND1-NH1 3.05Å; H52-R55 PolarHBondContact O-N 2.87Å; H52-T56 WeakPolarHBondContact O-CB 3.46Å; H52-T56 WeakPolarHBondContact O-CG2 3.49Å; H52-T56 PolarHBondContact O-N 2.89Å; H52-T56 PolarHBondContact O-OG1 3.37Å; H52-I124 HydrophobicContact CB-CD1 4.03Å; H52-V179 HydrophobicContact CB-CG2 3.81Å
53V95.1Very high93.8Very high5 Ų531.3 Ų31.33%0.0316%0.16CC..Hα-helixtrans-60.7-48170.3167.40000110.5I49 Q50 T56 S57 W119 I124I49-V53 HydrophobicContact CG2-CG2 4.36Å; I49-V53 VanDerWaalsContact O-CG2 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.27Å; I49-V53 PolarHBondContact O-N 2.99Å; Q50-V53 PolarHBondContact O-N 3.22Å; V53-T56 PolarHBondContact O-OG1 3.15Å; V53-S57 WeakPolarHBondContact O-CB 3.21Å; V53-S57 PolarHBondContact O-N 3.02Å; V53-S57 VanDerWaalsContact O-N 3.15Å; V53-S57 PolarHBondContact O-OG 2.88Å; V53-W119 HydrophobicContact CG1-CB 3.9Å; V53-W119 HydrophobicContact CG1-CD2 3.53Å; V53-W119 HydrophobicContact CG1-CE3 3.38Å; V53-W119 HydrophobicContact CG1-CG 3.76Å; V53-W119 HydrophobicContact CG1-CZ3 4.09Å; V53-I124 HydrophobicContact CG2-CB 4.12Å; V53-I124 HydrophobicContact CG2-CD1 4.21Å; V53-I124 HydrophobicContact CG2-CG2 4.27Å
54R94.6Very high94.1Very high101 Ų10129.3 Ų29.338%0.38115%0.146SC..Hα-helixtrans-63-46.7175.9-74180-172.9177.22.3111.6W40 L41 Q50 Y51 S57 V58W40-R54 HydrophobicContact CE3-CB 4.3Å; W40-R54 HydrophobicContact CH2-CB 3.99Å; W40-R54 HydrophobicContact CH2-CG 4.01Å; W40-R54 HydrophobicContact CZ3-CB 3.54Å; W40-R54 HydrophobicContact CZ3-CG 4Å; L41-R54 HydrophobicContact CD2-CB 3.89Å; Q50-R54 WeakPolarHBondContact O-CB 3.39Å; Q50-R54 WeakPolarHBondContact O-CG 3.18Å; Q50-R54 PolarHBondContact O-N 2.79Å; Y51-R54 PolarHBondContact O-N 3.43Å; R54-S57 PolarHBondContact O-N 3.19Å; R54-V58 PolarHBondContact O-N 3.23Å
55R94.6Very high94.3Very high0 Ų031.1 Ų31.10%016%0.159CC..Hα-helixtrans-58.6-53.9-178.9-172-166.371.4170.25.9111.6Q34 L41 Y51 H52 S57 V58 T59 P160 T175Q34-R55 HydrophobicContact CG-CG 4.13Å; L41-R55 HydrophobicContact CD1-CG 4.39Å; L41-R55 VanDerWaalsContact CD2-CA 3.4Å; L41-R55 HydrophobicContact CD2-CB 3.95Å; Y51-R55 VanDerWaalsContact O-CB 3.23Å; Y51-R55 WeakPolarHBondContact O-CB 3.48Å; Y51-R55 PolarHBondContact O-N 2.99Å; H52-R55 PolarHBondContact CE1-NH1 3.14Å; H52-R55 PolarHBondContact ND1-NE 2.86Å; H52-R55 PolarHBondContact ND1-NH1 3.05Å; H52-R55 PolarHBondContact O-N 2.87Å; R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.19Å; R55-V58 PolarHBondContact O-N 2.83Å; R55-T59 WeakPolarHBondContact O-CB 3.34Å; R55-T59 PolarHBondContact O-N 3.32Å; R55-T59 PolarHBondContact O-OG1 2.92Å; R55-P160 PolarHBondContact NH1-O 2.8Å; R55-T175 PolarHBondContact NH2-O 2.79Å
56T94.9Very high94.7Very high6 Ų628 Ų284%0.03714%0.142CC..Hα-helixtrans-63.3-35.7-179.450.40000112.1H52 V53 L60 H122 I124 Y177H52-T56 WeakPolarHBondContact O-CB 3.46Å; H52-T56 WeakPolarHBondContact O-CG2 3.49Å; H52-T56 PolarHBondContact O-N 2.89Å; H52-T56 PolarHBondContact O-OG1 3.37Å; V53-T56 PolarHBondContact O-OG1 3.15Å; T56-L60 WeakPolarHBondContact O-CB 3.49Å; T56-L60 PolarHBondContact O-N 3.08Å; T56-H122 PolarHBondContact OG1-CE1 2.95Å; T56-H122 PolarHBondContact OG1-NE2 3.26Å; T56-I124 HydrophobicContact CG2-CD1 4.22Å; T56-Y177 WeakPolarHBondContact CG2-O 3.48Å
57S95.5Very high95Very high1 Ų124.1 Ų24.11%0.00712%0.124CC..Hα-helixtrans-65-44.9174.1-61.30000112.7V53 R54 R55 L60 L61 W119V53-S57 WeakPolarHBondContact O-CB 3.21Å; V53-S57 PolarHBondContact O-N 3.02Å; V53-S57 VanDerWaalsContact O-N 3.15Å; V53-S57 PolarHBondContact O-OG 2.88Å; R54-S57 PolarHBondContact O-N 3.19Å; R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.19Å; S57-L60 PolarHBondContact O-N 2.95Å; S57-L61 WeakPolarHBondContact O-CG 3.47Å; S57-L61 PolarHBondContact O-N 3.1Å; S57-W119 WeakPolarHBondContact OG-CZ3 3.38Å
58V95.4Very high95.1Very high13 Ų1325.2 Ų25.28%0.07913%0.128CC..Hα-helixtrans-69.1-42.7176.5169.10000111.4V33 F37 W40 R54 R55 L60 L61 V62V33-V58 HydrophobicContact CG1-CB 4.42Å; V33-V58 HydrophobicContact CG1-CG1 3.63Å; F37-V58 HydrophobicContact CB-CG1 4.19Å; F37-V58 HydrophobicContact CD1-CG1 4.15Å; F37-V58 HydrophobicContact CD2-CG1 3.67Å; F37-V58 HydrophobicContact CE1-CG1 4.49Å; F37-V58 HydrophobicContact CE2-CG1 4.05Å; F37-V58 HydrophobicContact CG-CG1 3.73Å; F37-V58 HydrophobicContact CZ-CG1 4.44Å; W40-V58 HydrophobicContact CD2-CG2 4.49Å; W40-V58 HydrophobicContact CE3-CG2 3.51Å; W40-V58 HydrophobicContact CH2-CG2 3.69Å; W40-V58 HydrophobicContact CZ3-CB 4.27Å; W40-V58 HydrophobicContact CZ3-CG2 3.04Å; R54-V58 PolarHBondContact O-N 3.23Å; R55-V58 PolarHBondContact O-N 2.83Å; V58-L60 PolarHBondContact O-N 2.86Å; V58-L61 PolarHBondContact O-N 3.37Å; V58-L61 VanDerWaalsContact O-N 3.09Å; V58-V62 HydrophobicContact CG1-CG2 3.83Å; V58-V62 VanDerWaalsContact O-CG2 3.28Å; V58-V62 WeakPolarHBondContact O-CG2 3.46Å; V58-V62 PolarHBondContact O-N 3.03Å
59T94.5Very high95.1Very high3 Ų326.5 Ų26.52%0.01814%0.142CC..Hα-helixtrans-56.5-42.1175.8-61.20000111.1R55 H63 T176 Y177R55-T59 WeakPolarHBondContact O-CB 3.34Å; R55-T59 PolarHBondContact O-N 3.32Å; R55-T59 PolarHBondContact O-OG1 2.92Å; T59-H63 VanDerWaalsContact O-CB 3.26Å; T59-H63 WeakPolarHBondContact O-CB 3.4Å; T59-H63 VanDerWaalsContact O-CG 3.25Å; T59-H63 PolarHBondContact O-N 3.24Å; T59-T176 HydrophobicContact CG2-CG2 3.79Å; T59-Y177 HydrophobicContact CG2-CD1 4.22Å; T59-Y177 HydrophobicContact CG2-CE1 3.88Å
60L95.4Very high95.1Very high46 Ų4628.7 Ų28.724%0.24115%0.15CC..Hα-helixtrans-58.1-50.817418066.8000111.7T56 S57 V58 S64 L110 V111 W114T56-L60 WeakPolarHBondContact O-CB 3.49Å; T56-L60 PolarHBondContact O-N 3.08Å; S57-L60 PolarHBondContact O-N 2.95Å; V58-L60 PolarHBondContact O-N 2.86Å; L60-S64 VanDerWaalsContact O-CB 3.29Å; L60-S64 WeakPolarHBondContact O-CB 3.47Å; L60-S64 PolarHBondContact O-N 3.02Å; L60-S64 PolarHBondContact O-OG 3.26Å; L60-S64 VanDerWaalsContact O-OG 3.05Å; L60-L110 HydrophobicContact CD2-CD2 3.94Å; L60-V111 HydrophobicContact CD2-CG2 4.48Å; L60-W114 HydrophobicContact CD2-CH2 3.94Å; L60-W114 HydrophobicContact CD2-CZ3 3.95Å
61L96.2Very high95Very high22 Ų2225.2 Ų25.212%0.11513%0.133CC..Hα-helixtrans-64.8-39.3-178.7-68.2174.7000113.5S57 V58 S64 T65 Q104 W108 V111S57-L61 WeakPolarHBondContact O-CG 3.47Å; S57-L61 PolarHBondContact O-N 3.1Å; V58-L61 PolarHBondContact O-N 3.37Å; V58-L61 VanDerWaalsContact O-N 3.09Å; L61-S64 WeakPolarHBondContact CA-OG 3.34Å; L61-S64 PolarHBondContact O-OG 2.93Å; L61-T65 PolarHBondContact O-N 2.73Å; L61-T65 PolarHBondContact O-OG1 3.21Å; L61-Q104 PolarHBondContact O-NE2 3.38Å; L61-Q104 PolarHBondContact O-OE1 2.99Å; L61-W108 HydrophobicContact CD1-CD2 4.44Å; L61-W108 HydrophobicContact CD1-CE3 4.35Å; L61-W108 HydrophobicContact CD1-CH2 4.31Å; L61-W108 HydrophobicContact CD1-CZ2 4.4Å; L61-W108 HydrophobicContact CD1-CZ3 4.29Å; L61-W108 HydrophobicContact CD2-CB 4.42Å; L61-W108 HydrophobicContact CD2-CD2 3.91Å; L61-W108 HydrophobicContact CD2-CE3 4.42Å; L61-W108 HydrophobicContact CD2-CG 3.89Å; L61-V111 HydrophobicContact CD1-CB 4.49Å; L61-V111 HydrophobicContact CD1-CG1 4.37Å; L61-V111 HydrophobicContact CD1-CG2 4.18Å; L61-V111 HydrophobicContact CD2-CG2 4.12Å; L61-V111 HydrophobicContact CG-CG2 4Å
62V95.5Very high94.8Very high30 Ų3029.9 Ų29.918%0.18216%0.158CC..Hα-helixtrans-70.8-47179.9176.90000109.6F19 V33 F37 V58 S64 T65F19-V62 HydrophobicContact CE1-CG1 3.65Å; F19-V62 HydrophobicContact CZ-CG1 3.86Å; V33-V62 HydrophobicContact CG1-CG2 4.46Å; V33-V62 HydrophobicContact CG2-CB 4.42Å; V33-V62 HydrophobicContact CG2-CG1 4.28Å; F37-V62 HydrophobicContact CD2-CG2 4.37Å; F37-V62 HydrophobicContact CE2-CG2 3.55Å; F37-V62 HydrophobicContact CZ-CG2 3.92Å; V58-V62 HydrophobicContact CG1-CG2 3.83Å; V58-V62 VanDerWaalsContact O-CG2 3.28Å; V58-V62 WeakPolarHBondContact O-CG2 3.46Å; V58-V62 PolarHBondContact O-N 3.03Å; V62-S64 VanDerWaalsContact C-N 3.34Å; V62-S64 PolarHBondContact O-N 3.04Å; V62-T65 WeakPolarHBondContact O-CB 3.1Å; V62-T65 PolarHBondContact O-N 3.09Å; V62-T65 VanDerWaalsContact O-N 3.09Å
63H95.1Very high94.6Very high21 Ų2130.5 Ų30.510%0.09716%0.164CC..Hα-helixtrans-68.1-34-179.7-69.2-170.8000112.1F19 T59 T65 L66 Y177F19-H63 AromaticContact CD1-NE2 3.94Å; F19-H63 AromaticContact CE1-CD2 3.69Å; F19-H63 AromaticContact CE1-NE2 3.75Å; T59-H63 VanDerWaalsContact O-CB 3.26Å; T59-H63 WeakPolarHBondContact O-CB 3.4Å; T59-H63 VanDerWaalsContact O-CG 3.25Å; T59-H63 PolarHBondContact O-N 3.24Å; H63-T65 PolarHBondContact O-N 3.11Å; H63-L66 HydrophobicContact CB-CD1 4.45Å; H63-L66 WeakPolarHBondContact O-CB 3.17Å; H63-L66 WeakPolarHBondContact O-CG 3.24Å; H63-L66 PolarHBondContact O-N 2.82Å; H63-Y177 AromaticContact ND1-CE1 3.75Å; H63-Y177 AromaticContact ND1-CZ 3.53Å; H63-Y177 PolarHBondContact ND1-OH 3.32Å
64S95.8Very high94.4Very high6 Ų630.4 Ų30.44%0.04216%0.163CC..Hα-helixtrans-66.3-18.5173.264.10000113.4L60 L61 V62 P67 Q104 S107L60-S64 VanDerWaalsContact O-CB 3.29Å; L60-S64 WeakPolarHBondContact O-CB 3.47Å; L60-S64 PolarHBondContact O-N 3.02Å; L60-S64 PolarHBondContact O-OG 3.26Å; L60-S64 VanDerWaalsContact O-OG 3.05Å; L61-S64 WeakPolarHBondContact CA-OG 3.34Å; L61-S64 PolarHBondContact O-OG 2.93Å; V62-S64 VanDerWaalsContact C-N 3.34Å; V62-S64 PolarHBondContact O-N 3.04Å; S64-P67 WeakPolarHBondContact O-CD 3.47Å; S64-Q104 PolarHBondContact O-OE1 2.88Å; S64-Q104 PolarHBondContact OG-OE1 2.81Å; S64-S107 WeakPolarHBondContact CB-OG 3.37Å; S64-S107 PolarHBondContact OG-OG 3.27Å
65T95.8Very high94Very high59 Ų5926.8 Ų26.836%0.36215%0.153SC..Hα-helixtrans-82.3-18.7177.8-54.60000112L61 V62 H63 L68 G69 Q104L61-T65 PolarHBondContact O-N 2.73Å; L61-T65 PolarHBondContact O-OG1 3.21Å; V62-T65 WeakPolarHBondContact O-CB 3.1Å; V62-T65 PolarHBondContact O-N 3.09Å; V62-T65 VanDerWaalsContact O-N 3.09Å; H63-T65 PolarHBondContact O-N 3.11Å; T65-L68 WeakPolarHBondContact O-CB 3.16Å; T65-L68 PolarHBondContact O-N 3.35Å; T65-G69 PolarHBondContact O-N 3Å; T65-Q104 VanDerWaalsContact OG1-CD 3.29Å; T65-Q104 PolarHBondContact OG1-NE2 2.82Å; T65-Q104 PolarHBondContact OG1-OE1 3.02Å
66L95.6Very high93.6Very high35 Ų3533.3 Ų33.318%0.18319%0.187CC..Hα-helixtrans-55.2-44.2-177.1-64.3171.4000113.4Y12 A16 F19 V20 H63 L68 G69 Y70Y12-L66 PolarHBondContact OH-O 3.14Å; A16-L66 HydrophobicContact CB-CD1 4.44Å; F19-L66 HydrophobicContact CD1-CD1 4.36Å; F19-L66 HydrophobicContact CD1-CD2 4.2Å; V20-L66 HydrophobicContact CG2-CD1 3.51Å; H63-L66 HydrophobicContact CB-CD1 4.45Å; H63-L66 WeakPolarHBondContact O-CB 3.17Å; H63-L66 WeakPolarHBondContact O-CG 3.24Å; H63-L66 PolarHBondContact O-N 2.82Å; L66-L68 VanDerWaalsContact C-N 3.32Å; L66-L68 PolarHBondContact O-N 3.41Å; L66-G69 PolarHBondContact O-N 3.44Å; L66-G69 VanDerWaalsContact O-N 3.15Å; L66-Y70 PolarHBondContact O-N 3.07Å
67P95.6Very high93.2Very high36 Ų3634 Ų3423%0.23419%0.193CC..Hα-helixtrans-61.6-37.1176-25.237.4000113.6S64 Y70 Y71 F96 S100 L103S64-P67 WeakPolarHBondContact O-CD 3.47Å; P67-Y70 WeakPolarHBondContact O-CB 3.29Å; P67-Y70 PolarHBondContact O-N 2.81Å; P67-Y71 PolarHBondContact O-N 3.32Å; P67-F96 HydrophobicContact CB-CZ 4.05Å; P67-F96 WeakPolarHBondContact O-CE1 3.46Å; P67-S100 VanDerWaalsContact CB-OG 3.25Å; P67-S100 WeakPolarHBondContact CB-OG 3.46Å; P67-L103 HydrophobicContact CG-CD2 4.3Å
68L94.6Very high92.7Very high32 Ų3233.9 Ų33.917%0.16819%0.192CC..Hα-helixtrans-69-38.1174.3-69.8173.6000111.7T65 L66 Y70 Y71 M72 F97 L101 Q104T65-L68 WeakPolarHBondContact O-CB 3.16Å; T65-L68 PolarHBondContact O-N 3.35Å; L66-L68 VanDerWaalsContact C-N 3.32Å; L66-L68 PolarHBondContact O-N 3.41Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 3.07Å; L68-Y71 WeakPolarHBondContact O-CB 3.47Å; L68-Y71 PolarHBondContact O-N 3.34Å; L68-M72 WeakPolarHBondContact O-CB 3.47Å; L68-M72 PolarHBondContact O-N 3.49Å; L68-F97 HydrophobicContact CD2-CD2 4.22Å; L68-F97 HydrophobicContact CD2-CE2 4.17Å; L68-L101 HydrophobicContact CD2-CB 4.4Å; L68-Q104 HydrophobicContact CD1-CB 3.68Å; L68-Q104 HydrophobicContact CD1-CG 3.96Å
69G94Very high91.9Very high28 Ų2837.3 Ų37.329%0.28922%0.215SC..Hα-helixtrans-60.2-41.5172.800000112.1T65 L66 M72 G73T65-G69 PolarHBondContact O-N 3Å; L66-G69 PolarHBondContact O-N 3.44Å; L66-G69 VanDerWaalsContact O-N 3.15Å; G69-M72 PolarHBondContact O-N 2.99Å; G69-G73 PolarHBondContact O-N 3.43Å
70Y94.8Very high91.1Very high46 Ų4642 Ų4218%0.1824%0.236CC..Hα-helixtrans-61.3-48173.4178.6-112.5000111.7F8 S9 Y12 L66 P67 L68 M72 G73 M74 W93 F96F8-Y70 HydrophobicContact CD1-CE2 4.3Å; F8-Y70 AromaticContact CE1-CD2 3.99Å; F8-Y70 HydrophobicContact CE1-CD2 3.99Å; F8-Y70 HydrophobicContact CE1-CE2 4.06Å; S9-Y70 PolarHBondContact OG-OH 3.46Å; Y12-Y70 AromaticContact CD1-CD2 3.59Å; Y12-Y70 HydrophobicContact CD1-CD2 3.59Å; Y12-Y70 HydrophobicContact CD1-CG 4.1Å; Y12-Y70 HydrophobicContact CD2-CD2 4.46Å; Y12-Y70 HydrophobicContact CE1-CD2 4.22Å; Y12-Y70 HydrophobicContact CE1-CG 4.3Å; Y12-Y70 AromaticContact CG-CD2 3.76Å; Y12-Y70 HydrophobicContact CG-CD2 3.76Å; Y12-Y70 PolarHBondContact OH-N 3.37Å; L66-Y70 PolarHBondContact O-N 3.07Å; P67-Y70 WeakPolarHBondContact O-CB 3.29Å; P67-Y70 PolarHBondContact O-N 2.81Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 3.07Å; Y70-M72 VanDerWaalsContact C-N 3.32Å; Y70-M72 PolarHBondContact O-N 3.38Å; Y70-G73 PolarHBondContact O-N 2.94Å; Y70-M74 HydrophobicContact CD1-CG 4.37Å; Y70-M74 HydrophobicContact CD2-CG 4.13Å; Y70-M74 HydrophobicContact CE1-CG 3.95Å; Y70-M74 HydrophobicContact CE2-CG 3.65Å; Y70-M74 HydrophobicContact CE2-SD 4.03Å; Y70-M74 HydrophobicContact CG-CG 4.47Å; Y70-M74 WeakPolarHBondContact O-CB 3.37Å; Y70-M74 WeakPolarHBondContact O-CG 3.49Å; Y70-M74 PolarHBondContact O-N 3.47Å; Y70-W93 AromaticContact CE1-CH2 3.82Å; Y70-W93 HydrophobicContact CE1-CH2 3.82Å; Y70-W93 HydrophobicContact CE1-CZ3 4.11Å; Y70-F96 AromaticContact CD1-CE1 3.88Å; Y70-F96 HydrophobicContact CD1-CE1 3.88Å; Y70-F96 AromaticContact CD1-CZ 3.69Å; Y70-F96 HydrophobicContact CD1-CZ 3.69Å; Y70-F96 HydrophobicContact CE1-CZ 4.44Å
71Y92.1Very high90.1Very high13 Ų1343.5 Ų43.55%0.05124%0.241CC..Hα-helixtrans-56.7-46.7177.2-174.6-96.4000111.9P67 L68 M74 C75 L83 W93 F96 F97P67-Y71 PolarHBondContact O-N 3.32Å; L68-Y71 WeakPolarHBondContact O-CB 3.47Å; L68-Y71 PolarHBondContact O-N 3.34Å; Y71-M74 PolarHBondContact O-N 3.05Å; Y71-C75 PolarHBondContact O-N 3.33Å; Y71-C75 VanDerWaalsContact O-N 3.09Å; Y71-C75 PolarHBondContact O-SG 3.35Å; Y71-L83 PolarHBondContact OH-O 3.18Å; Y71-W93 AromaticContact CD2-CE3 3.68Å; Y71-W93 HydrophobicContact CD2-CE3 3.68Å; Y71-W93 AromaticContact CD2-CZ3 3.99Å; Y71-W93 HydrophobicContact CD2-CZ3 3.99Å; Y71-W93 AromaticContact CE2-CE3 3.82Å; Y71-W93 HydrophobicContact CE2-CE3 3.82Å; Y71-F96 HydrophobicContact CD2-CD1 4.01Å; Y71-F96 HydrophobicContact CD2-CE1 4.47Å; Y71-F97 AromaticContact CD1-CD2 3.63Å; Y71-F97 HydrophobicContact CD1-CD2 3.63Å; Y71-F97 HydrophobicContact CD1-CE2 4.2Å; Y71-F97 HydrophobicContact CD2-CB 4.09Å; Y71-F97 HydrophobicContact CD2-CD2 4.37Å; Y71-F97 HydrophobicContact CE1-CB 4.46Å; Y71-F97 AromaticContact CE1-CD2 3.56Å; Y71-F97 HydrophobicContact CE1-CD2 3.56Å; Y71-F97 HydrophobicContact CE1-CE2 4.1Å; Y71-F97 HydrophobicContact CE1-CG 4.19Å; Y71-F97 HydrophobicContact CE2-CB 3.75Å; Y71-F97 HydrophobicContact CE2-CD2 4.32Å; Y71-F97 HydrophobicContact CE2-CG 4.36Å; Y71-F97 HydrophobicContact CG-CD2 4.04Å; Y71-F97 AromaticContact CZ-CD2 3.91Å
72M91.3Very high89.2Confident125 Ų12549.3 Ų49.362%0.61626%0.262SS*.Hα-helixtrans-62.8-44.8178.9-170.162.966.100111.7L68 G69 Y70 M74 C75L68-M72 WeakPolarHBondContact O-CB 3.47Å; L68-M72 PolarHBondContact O-N 3.49Å; G69-M72 PolarHBondContact O-N 2.99Å; Y70-M72 VanDerWaalsContact C-N 3.32Å; Y70-M72 PolarHBondContact O-N 3.38Å; M72-M74 VanDerWaalsContact C-N 3.31Å; M72-M74 PolarHBondContact O-N 3.2Å; M72-C75 WeakPolarHBondContact O-CB 3.42Å; M72-C75 PolarHBondContact O-N 3.47Å
73G90.3Very high88.3Confident13 Ų1348 Ų4813%0.13425%0.254CS..Hα-helixtrans-64.3-36.1176.900000113G69 Y70 C75 I76 A77G69-G73 PolarHBondContact O-N 3.43Å; Y70-G73 PolarHBondContact O-N 2.94Å; G73-C75 VanDerWaalsContact C-N 3.3Å; G73-C75 PolarHBondContact O-N 3.46Å; G73-I76 PolarHBondContact O-N 3.3Å; G73-I76 VanDerWaalsContact O-N 3.08Å; G73-A77 WeakPolarHBondContact O-CB 3.45Å; G73-A77 PolarHBondContact O-N 3.17Å
74M90Very high87.3Confident2 Ų250.5 Ų50.51%0.0128%0.279CS..Hα-helixtrans-66.6-29.2174.4-76.3-64.3-65.200113.3E5 F8 Y70 Y71 M72 I76 A77 A78 L83 W93E5-M74 HydrophobicContact CB-CE 4.03Å; F8-M74 HydrophobicContact CD1-CG 4.13Å; F8-M74 HydrophobicContact CD1-SD 3.56Å; F8-M74 VanDerWaalsContact CD1-SD 3.56Å; F8-M74 HydrophobicContact CE1-CG 3.99Å; F8-M74 HydrophobicContact CE1-SD 4.06Å; Y70-M74 HydrophobicContact CD1-CG 4.37Å; Y70-M74 HydrophobicContact CD2-CG 4.13Å; Y70-M74 HydrophobicContact CE1-CG 3.95Å; Y70-M74 HydrophobicContact CE2-CG 3.65Å; Y70-M74 HydrophobicContact CE2-SD 4.03Å; Y70-M74 HydrophobicContact CG-CG 4.47Å; Y70-M74 WeakPolarHBondContact O-CB 3.37Å; Y70-M74 WeakPolarHBondContact O-CG 3.49Å; Y70-M74 PolarHBondContact O-N 3.47Å; Y71-M74 PolarHBondContact O-N 3.05Å; M72-M74 VanDerWaalsContact C-N 3.31Å; M72-M74 PolarHBondContact O-N 3.2Å; M74-I76 PolarHBondContact O-N 3.42Å; M74-A77 PolarHBondContact O-N 2.85Å; M74-A78 HydrophobicContact CE-CB 4.09Å; M74-A78 PolarHBondContact O-N 2.69Å; M74-L83 HydrophobicContact CB-CD1 3.9Å; M74-W93 HydrophobicContact CB-CH2 3.93Å; M74-W93 HydrophobicContact CB-CZ3 4.29Å; M74-W93 HydrophobicContact CE-CH2 3.84Å; M74-W93 HydrophobicContact CE-CZ2 3.75Å; M74-W93 HydrophobicContact CG-CH2 3.75Å; M74-W93 HydrophobicContact CG-CZ3 4.39Å
75C87.4Confident86.5Confident26 Ų2657.3 Ų57.318%0.17630%0.304CS..Hα-helixtrans-61.7-29171.7-63.30000112.3Y71 M72 G73 L83Y71-C75 PolarHBondContact O-N 3.33Å; Y71-C75 VanDerWaalsContact O-N 3.09Å; Y71-C75 PolarHBondContact O-SG 3.35Å; M72-C75 WeakPolarHBondContact O-CB 3.42Å; M72-C75 PolarHBondContact O-N 3.47Å; G73-C75 VanDerWaalsContact C-N 3.3Å; G73-C75 PolarHBondContact O-N 3.46Å; C75-L83 HydrophobicContact CB-CB 4.42Å; C75-L83 VanDerWaalsContact SG-CB 3.58Å
76I87Confident85.2Confident137 Ų13758.1 Ų58.170%0.70331%0.309SS*.Hα-helixtrans-89.2-42.6178.8-54.6173.7000110.9G73 M74G73-I76 PolarHBondContact O-N 3.3Å; G73-I76 VanDerWaalsContact O-N 3.08Å; M74-I76 PolarHBondContact O-N 3.42Å
77A86.6Confident84Confident19 Ų1965.5 Ų65.516%0.15734%0.343CS..Hα-helixtrans-76.6-22.3-174.900000114.1F8 G73 M74F8-A77 HydrophobicContact CB-CB 3.83Å; F8-A77 HydrophobicContact CD1-CB 4.06Å; F8-A77 HydrophobicContact CD2-CB 4.15Å; F8-A77 HydrophobicContact CG-CB 3.72Å; G73-A77 WeakPolarHBondContact O-CB 3.45Å; G73-A77 PolarHBondContact O-N 3.17Å; M74-A77 PolarHBondContact O-N 2.85Å
78A84.6Confident83Confident0 Ų069.8 Ų69.80%036%0.363CS..  trans-13561.6-177.900000111.2E5 M74 E80 K81E5-A78 HydrophobicContact CB-CB 4.02Å; M74-A78 HydrophobicContact CE-CB 4.09Å; M74-A78 PolarHBondContact O-N 2.69Å; A78-E80 WeakPolarHBondContact CA-OE1 3.47Å; A78-E80 WeakPolarHBondContact CA-OE2 3.39Å; A78-E80 VanDerWaalsContact CB-OE1 3.27Å; A78-E80 WeakPolarHBondContact CB-OE1 3.46Å; A78-E80 PolarHBondContact O-N 2.92Å; A78-K81 HydrophobicContact CB-CD 3.84Å; A78-K81 HydrophobicContact CB-CG 4.15Å; A78-K81 WeakPolarHBondContact O-CB 3.15Å; A78-K81 PolarHBondContact O-N 3.07Å
79P78.8Confident82.4Confident85 Ų8568.9 Ų68.955%0.55236%0.358SS*.G310 helixtrans-61.3-26.2-176.527.3-35.2000112.7K81 Y82P79-K81 PolarHBondContact O-N 3.08Å; P79-Y82 PolarHBondContact O-N 3.12Å; P79-Y82 VanDerWaalsContact O-N 3.1Å
80E76.8Confident82Confident101 Ų10170.8 Ų70.847%0.47237%0.367SS..G310 helixtrans-64-16.9176.273.1-68.4158.600113.9A78 Y82A78-E80 WeakPolarHBondContact CA-OE1 3.47Å; A78-E80 WeakPolarHBondContact CA-OE2 3.39Å; A78-E80 VanDerWaalsContact CB-OE1 3.27Å; A78-E80 WeakPolarHBondContact CB-OE1 3.46Å; A78-E80 PolarHBondContact O-N 2.92Å; E80-Y82 VanDerWaalsContact C-N 3.29Å; E80-Y82 VanDerWaalsContact O-CD2 3.23Å; E80-Y82 WeakPolarHBondContact O-CD2 3.32Å; E80-Y82 VanDerWaalsContact O-CE2 3.29Å; E80-Y82 WeakPolarHBondContact O-CE2 3.49Å
81K74.8Confident81.7Confident78 Ų7873.9 Ų73.934%0.33939%0.386SS..G310 helixtrans-86.1-0.2176.3-64.6-177.9-172.1171.80113.2A78 P79 L83A78-K81 HydrophobicContact CB-CD 3.84Å; A78-K81 HydrophobicContact CB-CG 4.15Å; A78-K81 WeakPolarHBondContact O-CB 3.15Å; A78-K81 PolarHBondContact O-N 3.07Å; P79-K81 PolarHBondContact O-N 3.08Å; K81-L83 HydrophobicContact CB-CD1 4.22Å; K81-L83 HydrophobicContact CB-CD2 4.09Å; K81-L83 HydrophobicContact CB-CG 3.76Å; K81-L83 PolarHBondContact O-N 3.39Å
82Y76.1Confident81.5Confident143 Ų14375.7 Ų75.756%0.56141%0.409SS*.THydrogen-bonded Turntrans50.531.2178.9-57.2-80.1000113.7P79 E80 A84 Y85P79-Y82 PolarHBondContact O-N 3.12Å; P79-Y82 VanDerWaalsContact O-N 3.1Å; E80-Y82 VanDerWaalsContact C-N 3.29Å; E80-Y82 VanDerWaalsContact O-CD2 3.23Å; E80-Y82 WeakPolarHBondContact O-CD2 3.32Å; E80-Y82 VanDerWaalsContact O-CE2 3.29Å; E80-Y82 WeakPolarHBondContact O-CE2 3.49Å; Y82-A84 PolarHBondContact O-N 2.95Å; Y82-A84 VanDerWaalsContact O-N 3.13Å; Y82-Y85 HydrophobicContact CD1-CD2 4.3Å; Y82-Y85 PolarHBondContact O-N 3.19Å
83L78.2Confident81.5Confident3 Ų371.9 Ų71.92%0.01639%0.388CS..THydrogen-bonded Turntrans-61.3-25.4-174.2-62.8175.9000113.3Y71 M74 C75 K81 Y85 I89 W93Y71-L83 PolarHBondContact OH-O 3.18Å; M74-L83 HydrophobicContact CB-CD1 3.9Å; C75-L83 HydrophobicContact CB-CB 4.42Å; C75-L83 VanDerWaalsContact SG-CB 3.58Å; K81-L83 HydrophobicContact CB-CD1 4.22Å; K81-L83 HydrophobicContact CB-CD2 4.09Å; K81-L83 HydrophobicContact CB-CG 3.76Å; K81-L83 PolarHBondContact O-N 3.39Å; L83-Y85 PolarHBondContact O-N 3.03Å; L83-I89 HydrophobicContact CD2-CG2 4.4Å; L83-W93 HydrophobicContact CD1-CD2 4.22Å; L83-W93 HydrophobicContact CD1-CE3 4.39Å; L83-W93 HydrophobicContact CD1-CH2 4.45Å; L83-W93 HydrophobicContact CD1-CZ2 4.25Å; L83-W93 HydrophobicContact CD1-CZ3 4.5Å; L83-W93 HydrophobicContact CD2-CB 3.79Å; L83-W93 HydrophobicContact CD2-CD2 3.61Å; L83-W93 HydrophobicContact CD2-CE3 4.26Å; L83-W93 HydrophobicContact CD2-CG 3.36Å
84A74.3Confident81.4Confident74 Ų7477.2 Ų77.261%0.61240%0.404SS*.THydrogen-bonded Turntrans-67.3-24.1174.600000113.3Y82Y82-A84 PolarHBondContact O-N 2.95Å; Y82-A84 VanDerWaalsContact O-N 3.13Å
85Y78.1Confident81.5Confident148 Ų14879.2 Ų79.258%0.5842%0.421SS*.  trans-98.990.8-179.4-61.1-80.4000109.8Y82 L83 H87 L88 I89Y82-Y85 HydrophobicContact CD1-CD2 4.3Å; Y82-Y85 PolarHBondContact O-N 3.19Å; L83-Y85 PolarHBondContact O-N 3.03Å; Y85-H87 PolarHBondContact O-N 3.49Å; Y85-L88 HydrophobicContact CG-CD1 4.38Å; Y85-L88 PolarHBondContact O-N 3.04Å; Y85-I89 WeakPolarHBondContact O-CG2 3.41Å; Y85-I89 PolarHBondContact O-N 3.1Å
86V69.3Low81.8Confident77 Ų7781.3 Ų81.347%0.46743%0.427SS..THydrogen-bonded Turntrans-53-21.9-174.6-176.50000114.1I89V86-I89 HydrophobicContact CG1-CD1 4.21Å; V86-I89 WeakPolarHBondContact O-CG1 3.22Å
87H69.5Low82.1Confident190 Ų19077.5 Ų77.588%0.8841%0.406SS*.THydrogen-bonded Turntrans-82.4-19.4176.8-62.2-64.4000114.8Y85Y85-H87 PolarHBondContact O-N 3.49Å
88L73.9Confident82.4Confident126 Ų12680 Ų8066%0.6642%0.42SS*.THydrogen-bonded Turntrans-107-3-176.2-76.5151.6000112.9Y85Y85-L88 HydrophobicContact CG-CD1 4.38Å; Y85-L88 PolarHBondContact O-N 3.04Å
89I83Confident82.9Confident13 Ų1385.9 Ų85.97%0.06745%0.45CS..SBendtrans-71146.7-178.967.5-175.6000111.7L83 Y85 V86 W93 R94L83-I89 HydrophobicContact CD2-CG2 4.4Å; Y85-I89 WeakPolarHBondContact O-CG2 3.41Å; Y85-I89 PolarHBondContact O-N 3.1Å; V86-I89 HydrophobicContact CG1-CD1 4.21Å; V86-I89 WeakPolarHBondContact O-CG1 3.22Å; I89-W93 HydrophobicContact CB-CB 4.41Å; I89-R94 HydrophobicContact CD1-CB 3.66Å; I89-R94 HydrophobicContact CD1-CG 4.03Å; I89-R94 HydrophobicContact CG1-CB 3.94Å
90S86.2Confident83.7Confident67 Ų6782 Ų8247%0.46943%0.425SS..  trans-64.6154.6173.573.20000111.7G92 W93 R94S90-G92 PolarHBondContact O-N 2.87Å; S90-G92 VanDerWaalsContact O-N 3.13Å; S90-W93 PolarHBondContact O-N 3.26Å; S90-W93 VanDerWaalsContact O-N 3.07Å; S90-R94 PolarHBondContact O-N 2.92Å
91D87.3Confident84.6Confident111 Ų11180.5 Ų80.559%0.59442%0.42SS*.Hα-helixtrans-55-35.3-179.3-69.2-37.6000112.6R94 A95D91-R94 PolarHBondContact O-N 3.45Å; D91-R94 IonicContact OD1-CZ 2.79Å; D91-R94 VanDerWaalsContact OD1-CZ 3.23Å; D91-R94 IonicContact OD1-NH1 3.44Å; D91-R94 PolarHBondContact OD1-NH1 3.24Å; D91-R94 IonicContact OD1-NH2 3.52Å; D91-R94 PolarHBondContact OD1-NH2 3.38Å; D91-A95 WeakPolarHBondContact O-CB 3.16Å; D91-A95 PolarHBondContact O-N 2.9Å
92G88.8Confident85.7Confident52 Ų5279.4 Ų79.454%0.53643%0.425SS..Hα-helixtrans-64.6-46176.600000113.3S90 A95 F96S90-G92 PolarHBondContact O-N 2.87Å; S90-G92 VanDerWaalsContact O-N 3.13Å; G92-A95 PolarHBondContact O-N 3.42Å; G92-F96 WeakPolarHBondContact O-CB 3.46Å; G92-F96 PolarHBondContact O-N 3Å
93W89.9Confident86.7Confident45 Ų4576.4 Ų76.417%0.1742%0.419CS..Hα-helixtrans-69.6-33.5176.8-79.5109.9000112.3Y70 Y71 M74 L83 I89 S90 F96 F97Y70-W93 AromaticContact CE1-CH2 3.82Å; Y70-W93 HydrophobicContact CE1-CH2 3.82Å; Y70-W93 HydrophobicContact CE1-CZ3 4.11Å; Y71-W93 AromaticContact CD2-CE3 3.68Å; Y71-W93 HydrophobicContact CD2-CE3 3.68Å; Y71-W93 AromaticContact CD2-CZ3 3.99Å; Y71-W93 HydrophobicContact CD2-CZ3 3.99Å; Y71-W93 AromaticContact CE2-CE3 3.82Å; Y71-W93 HydrophobicContact CE2-CE3 3.82Å; M74-W93 HydrophobicContact CB-CH2 3.93Å; M74-W93 HydrophobicContact CB-CZ3 4.29Å; M74-W93 HydrophobicContact CE-CH2 3.84Å; M74-W93 HydrophobicContact CE-CZ2 3.75Å; M74-W93 HydrophobicContact CG-CH2 3.75Å; M74-W93 HydrophobicContact CG-CZ3 4.39Å; L83-W93 HydrophobicContact CD1-CD2 4.22Å; L83-W93 HydrophobicContact CD1-CE3 4.39Å; L83-W93 HydrophobicContact CD1-CH2 4.45Å; L83-W93 HydrophobicContact CD1-CZ2 4.25Å; L83-W93 HydrophobicContact CD1-CZ3 4.5Å; L83-W93 HydrophobicContact CD2-CB 3.79Å; L83-W93 HydrophobicContact CD2-CD2 3.61Å; L83-W93 HydrophobicContact CD2-CE3 4.26Å; L83-W93 HydrophobicContact CD2-CG 3.36Å; I89-W93 HydrophobicContact CB-CB 4.41Å; S90-W93 PolarHBondContact O-N 3.26Å; S90-W93 VanDerWaalsContact O-N 3.07Å; W93-F96 HydrophobicContact CE3-CD1 4.23Å; W93-F96 HydrophobicContact CZ3-CD1 4.16Å; W93-F96 PolarHBondContact O-N 3Å; W93-F97 WeakPolarHBondContact O-CB 3.45Å; W93-F97 PolarHBondContact O-N 3.1Å
94R89.6Confident87.5Confident124 Ų12477.2 Ų77.247%0.46842%0.422SS..Hα-helixtrans-62.7-47172.3-168.4173.466.9-150.3-6.8111.5I89 S90 D91 F97 T98I89-R94 HydrophobicContact CD1-CB 3.66Å; I89-R94 HydrophobicContact CD1-CG 4.03Å; I89-R94 HydrophobicContact CG1-CB 3.94Å; S90-R94 PolarHBondContact O-N 2.92Å; D91-R94 PolarHBondContact O-N 3.45Å; D91-R94 IonicContact OD1-CZ 2.79Å; D91-R94 VanDerWaalsContact OD1-CZ 3.23Å; D91-R94 IonicContact OD1-NH1 3.44Å; D91-R94 PolarHBondContact OD1-NH1 3.24Å; D91-R94 IonicContact OD1-NH2 3.52Å; D91-R94 PolarHBondContact OD1-NH2 3.38Å; R94-F97 PolarHBondContact O-N 2.83Å; R94-T98 WeakPolarHBondContact O-CB 3.44Å; R94-T98 VanDerWaalsContact O-CG2 3.27Å; R94-T98 WeakPolarHBondContact O-CG2 3.48Å; R94-T98 PolarHBondContact O-N 2.79Å; R94-T98 PolarHBondContact O-OG1 3.27Å
95A91.8Very high88.6Confident45 Ų4578.3 Ų78.337%0.37242%0.418SS..Hα-helixtrans-60.9-45.2175.600000111.3D91 G92 F97 T98 L99D91-A95 WeakPolarHBondContact O-CB 3.16Å; D91-A95 PolarHBondContact O-N 2.9Å; G92-A95 PolarHBondContact O-N 3.42Å; A95-F97 PolarHBondContact O-N 3.01Å; A95-T98 WeakPolarHBondContact CA-OG1 3.29Å; A95-T98 PolarHBondContact O-N 2.78Å; A95-T98 PolarHBondContact O-OG1 3.18Å; A95-L99 WeakPolarHBondContact O-CB 3.5Å; A95-L99 WeakPolarHBondContact O-CD1 3.29Å; A95-L99 VanDerWaalsContact O-CG 3.25Å; A95-L99 WeakPolarHBondContact O-CG 3.27Å; A95-L99 PolarHBondContact O-N 2.99Å
96F93.5Very high89.5Confident69 Ų6977.6 Ų77.630%0.30342%0.418SS..Hα-helixtrans-60.6-47.9177.9-178.1-94.2000112.7P67 Y70 Y71 G92 W93 S100P67-F96 HydrophobicContact CB-CZ 4.05Å; P67-F96 WeakPolarHBondContact O-CE1 3.46Å; Y70-F96 AromaticContact CD1-CE1 3.88Å; Y70-F96 HydrophobicContact CD1-CE1 3.88Å; Y70-F96 AromaticContact CD1-CZ 3.69Å; Y70-F96 HydrophobicContact CD1-CZ 3.69Å; Y70-F96 HydrophobicContact CE1-CZ 4.44Å; Y71-F96 HydrophobicContact CD2-CD1 4.01Å; Y71-F96 HydrophobicContact CD2-CE1 4.47Å; G92-F96 WeakPolarHBondContact O-CB 3.46Å; G92-F96 PolarHBondContact O-N 3Å; W93-F96 HydrophobicContact CE3-CD1 4.23Å; W93-F96 HydrophobicContact CZ3-CD1 4.16Å; W93-F96 PolarHBondContact O-N 3Å; F96-S100 VanDerWaalsContact O-CB 3.28Å; F96-S100 WeakPolarHBondContact O-CB 3.48Å; F96-S100 PolarHBondContact O-N 3Å; F96-S100 PolarHBondContact O-OG 3.49Å
97F92.5Very high90.8Very high57 Ų5774 Ų7425%0.2540%0.396CS..Hα-helixtrans-62.1-47.5178.4176.1-105.8000111.9L68 Y71 W93 R94 A95 L99 S100 L101L68-F97 HydrophobicContact CD2-CD2 4.22Å; L68-F97 HydrophobicContact CD2-CE2 4.17Å; Y71-F97 AromaticContact CD1-CD2 3.63Å; Y71-F97 HydrophobicContact CD1-CD2 3.63Å; Y71-F97 HydrophobicContact CD1-CE2 4.2Å; Y71-F97 HydrophobicContact CD2-CB 4.09Å; Y71-F97 HydrophobicContact CD2-CD2 4.37Å; Y71-F97 HydrophobicContact CE1-CB 4.46Å; Y71-F97 AromaticContact CE1-CD2 3.56Å; Y71-F97 HydrophobicContact CE1-CD2 3.56Å; Y71-F97 HydrophobicContact CE1-CE2 4.1Å; Y71-F97 HydrophobicContact CE1-CG 4.19Å; Y71-F97 HydrophobicContact CE2-CB 3.75Å; Y71-F97 HydrophobicContact CE2-CD2 4.32Å; Y71-F97 HydrophobicContact CE2-CG 4.36Å; Y71-F97 HydrophobicContact CG-CD2 4.04Å; Y71-F97 AromaticContact CZ-CD2 3.91Å; W93-F97 WeakPolarHBondContact O-CB 3.45Å; W93-F97 PolarHBondContact O-N 3.1Å; R94-F97 PolarHBondContact O-N 2.83Å; A95-F97 PolarHBondContact O-N 3.01Å; F97-L99 PolarHBondContact O-N 3.2Å; F97-S100 PolarHBondContact O-N 2.86Å; F97-L101 HydrophobicContact CE1-CD2 4.27Å; F97-L101 HydrophobicContact CZ-CD2 4.33Å; F97-L101 WeakPolarHBondContact O-CB 3.44Å; F97-L101 PolarHBondContact O-N 2.85Å
98T92.6Very high92.1Very high73 Ų7371.2 Ų71.245%0.44838%0.378SS..Hα-helixtrans-63-42.8-179.950.30000112.2R94 A95 L101 A102R94-T98 WeakPolarHBondContact O-CB 3.44Å; R94-T98 VanDerWaalsContact O-CG2 3.27Å; R94-T98 WeakPolarHBondContact O-CG2 3.48Å; R94-T98 PolarHBondContact O-N 2.79Å; R94-T98 PolarHBondContact O-OG1 3.27Å; A95-T98 WeakPolarHBondContact CA-OG1 3.29Å; A95-T98 PolarHBondContact O-N 2.78Å; A95-T98 PolarHBondContact O-OG1 3.18Å; T98-L101 PolarHBondContact O-N 2.82Å; T98-A102 VanDerWaalsContact O-CB 3.26Å; T98-A102 WeakPolarHBondContact O-CB 3.07Å; T98-A102 PolarHBondContact O-N 3.04Å
99L95.8Very high93.2Very high122 Ų12269.7 Ų69.764%0.63937%0.374SS*.Hα-helixtrans-63.8-42.9174.4-73167.3000112A95 F97 A102 L103A95-L99 WeakPolarHBondContact O-CB 3.5Å; A95-L99 WeakPolarHBondContact O-CD1 3.29Å; A95-L99 VanDerWaalsContact O-CG 3.25Å; A95-L99 WeakPolarHBondContact O-CG 3.27Å; A95-L99 PolarHBondContact O-N 2.99Å; F97-L99 PolarHBondContact O-N 3.2Å; L99-A102 PolarHBondContact O-N 3.01Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 PolarHBondContact O-N 3.42Å
100S96Very high93.8Very high5 Ų571.2 Ų71.24%0.03538%0.382CS..Hα-helixtrans-63.9-42178.3-60.60000111.7P67 F96 F97 L103 Q104P67-S100 VanDerWaalsContact CB-OG 3.25Å; P67-S100 WeakPolarHBondContact CB-OG 3.46Å; F96-S100 VanDerWaalsContact O-CB 3.28Å; F96-S100 WeakPolarHBondContact O-CB 3.48Å; F96-S100 PolarHBondContact O-N 3Å; F96-S100 PolarHBondContact O-OG 3.49Å; F97-S100 PolarHBondContact O-N 2.86Å; S100-L103 PolarHBondContact O-N 3.27Å; S100-Q104 PolarHBondContact O-N 2.92Å; S100-Q104 VanDerWaalsContact O-N 3.09Å
101L95.8Very high94.3Very high68 Ų6868.7 Ų68.736%0.35636%0.364SS..Hα-helixtrans-67.5-43.6176.2-176.362.5000111.3L68 F97 T98 L103 Q104 L105L68-L101 HydrophobicContact CD2-CB 4.4Å; F97-L101 HydrophobicContact CE1-CD2 4.27Å; F97-L101 HydrophobicContact CZ-CD2 4.33Å; F97-L101 WeakPolarHBondContact O-CB 3.44Å; F97-L101 PolarHBondContact O-N 2.85Å; T98-L101 PolarHBondContact O-N 2.82Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.27Å; L101-Q104 PolarHBondContact O-N 3.45Å; L101-L105 HydrophobicContact CD1-CD1 4.39Å; L101-L105 HydrophobicContact CD1-CG 4.33Å; L101-L105 HydrophobicContact CG-CD1 4.07Å; L101-L105 HydrophobicContact CG-CG 4.42Å; L101-L105 WeakPolarHBondContact O-CB 3.3Å; L101-L105 WeakPolarHBondContact O-CG 3.25Å; L101-L105 PolarHBondContact O-N 3.18Å
102A96.9Very high94.7Very high55 Ų5566.9 Ų66.946%0.45535%0.353SS..Hα-helixtrans-60-42.9176.100000111.6T98 L99 Q104 L105 F106T98-A102 VanDerWaalsContact O-CB 3.26Å; T98-A102 WeakPolarHBondContact O-CB 3.07Å; T98-A102 PolarHBondContact O-N 3.04Å; L99-A102 PolarHBondContact O-N 3.01Å; A102-Q104 PolarHBondContact O-N 3.07Å; A102-L105 PolarHBondContact O-N 3.4Å; A102-F106 WeakPolarHBondContact O-CB 3.43Å; A102-F106 PolarHBondContact O-N 3.44Å
103L96.8Very high95Very high81 Ų8170 Ų7042%0.42435%0.349SS..Hα-helixtrans-60-44.5175.317965.1000111.8P67 L99 S100 L101 S107P67-L103 HydrophobicContact CG-CD2 4.3Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 PolarHBondContact O-N 3.42Å; S100-L103 PolarHBondContact O-N 3.27Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.27Å; L103-S107 WeakPolarHBondContact O-CB 3.29Å; L103-S107 PolarHBondContact O-N 2.86Å; L103-S107 PolarHBondContact O-OG 3.09Å
104Q96.9Very high95.2Very high19 Ų1969 Ų699%0.08935%0.346CS..Hα-helixtrans-65.8-46.2178.8-173.860.226.400111.9L61 S64 T65 L68 S100 L101 A102 S107 W108L61-Q104 PolarHBondContact O-NE2 3.38Å; L61-Q104 PolarHBondContact O-OE1 2.99Å; S64-Q104 PolarHBondContact O-OE1 2.88Å; S64-Q104 PolarHBondContact OG-OE1 2.81Å; T65-Q104 VanDerWaalsContact OG1-CD 3.29Å; T65-Q104 PolarHBondContact OG1-NE2 2.82Å; T65-Q104 PolarHBondContact OG1-OE1 3.02Å; L68-Q104 HydrophobicContact CD1-CB 3.68Å; L68-Q104 HydrophobicContact CD1-CG 3.96Å; S100-Q104 PolarHBondContact O-N 2.92Å; S100-Q104 VanDerWaalsContact O-N 3.09Å; L101-Q104 PolarHBondContact O-N 3.45Å; A102-Q104 PolarHBondContact O-N 3.07Å; Q104-S107 PolarHBondContact O-N 3.48Å; Q104-W108 PolarHBondContact O-N 2.81Å
105L97.1Very high95.4Very high98 Ų9865.5 Ų65.551%0.51334%0.34SS..Hα-helixtrans-63.7-42.5178-69.7175.9000111.4L101 A102 S107 W108 V109L101-L105 HydrophobicContact CD1-CD1 4.39Å; L101-L105 HydrophobicContact CD1-CG 4.33Å; L101-L105 HydrophobicContact CG-CD1 4.07Å; L101-L105 HydrophobicContact CG-CG 4.42Å; L101-L105 WeakPolarHBondContact O-CB 3.3Å; L101-L105 WeakPolarHBondContact O-CG 3.25Å; L101-L105 PolarHBondContact O-N 3.18Å; A102-L105 PolarHBondContact O-N 3.4Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 2.73Å; L105-W108 PolarHBondContact O-N 3.42Å; L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.49Å; L105-V109 PolarHBondContact O-N 2.97Å
106F97.3Very high95.4Very high132 Ų13272.8 Ų72.858%0.57936%0.358SS*.Hα-helixtrans-59.7-43.7175.4179.8-100.9000111.7A102 W108 V109 L110A102-F106 WeakPolarHBondContact O-CB 3.43Å; A102-F106 PolarHBondContact O-N 3.44Å; F106-W108 VanDerWaalsContact C-N 3.35Å; F106-W108 PolarHBondContact O-N 3.47Å; F106-V109 PolarHBondContact O-N 2.94Å; F106-L110 HydrophobicContact CE1-CD2 4.45Å; F106-L110 WeakPolarHBondContact O-CB 3.44Å; F106-L110 PolarHBondContact O-N 2.91Å
107S96.4Very high95.1Very high3 Ų374.9 Ų74.92%0.02137%0.369CS..Hα-helixtrans-62.3-41.7177.5-57.90000111.7S64 L103 Q104 L105 L110 V111S64-S107 WeakPolarHBondContact CB-OG 3.37Å; S64-S107 PolarHBondContact OG-OG 3.27Å; L103-S107 WeakPolarHBondContact O-CB 3.29Å; L103-S107 PolarHBondContact O-N 2.86Å; L103-S107 PolarHBondContact O-OG 3.09Å; Q104-S107 PolarHBondContact O-N 3.48Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 2.73Å; S107-L110 PolarHBondContact O-N 3.22Å; S107-V111 WeakPolarHBondContact O-CG2 3.02Å; S107-V111 PolarHBondContact O-N 2.79Å
108W96.9Very high95Very high130 Ų13080.8 Ų80.849%0.49239%0.394SS..Hα-helixtrans-62-48.1172.6-88.5109.9000112.9L61 Q104 L105 F106 L110 V111 I112L61-W108 HydrophobicContact CD1-CD2 4.44Å; L61-W108 HydrophobicContact CD1-CE3 4.35Å; L61-W108 HydrophobicContact CD1-CH2 4.31Å; L61-W108 HydrophobicContact CD1-CZ2 4.4Å; L61-W108 HydrophobicContact CD1-CZ3 4.29Å; L61-W108 HydrophobicContact CD2-CB 4.42Å; L61-W108 HydrophobicContact CD2-CD2 3.91Å; L61-W108 HydrophobicContact CD2-CE3 4.42Å; L61-W108 HydrophobicContact CD2-CG 3.89Å; Q104-W108 PolarHBondContact O-N 2.81Å; L105-W108 PolarHBondContact O-N 3.42Å; F106-W108 VanDerWaalsContact C-N 3.35Å; F106-W108 PolarHBondContact O-N 3.47Å; W108-L110 VanDerWaalsContact C-N 3.25Å; W108-L110 PolarHBondContact O-N 3.12Å; W108-V111 PolarHBondContact O-N 2.67Å; W108-I112 WeakPolarHBondContact O-CB 3.38Å; W108-I112 VanDerWaalsContact O-CG1 3.27Å; W108-I112 WeakPolarHBondContact O-CG1 3.35Å; W108-I112 PolarHBondContact O-N 2.65Å
109V96.9Very high95Very high95 Ų9580.2 Ų80.258%0.57638%0.384SS*.Hα-helixtrans-57.7-42.2177.2169.40000110.6L105 F106 I112 Y113L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.49Å; L105-V109 PolarHBondContact O-N 2.97Å; F106-V109 PolarHBondContact O-N 2.94Å; V109-I112 PolarHBondContact O-N 3.35Å; V109-Y113 VanDerWaalsContact O-CB 3.28Å; V109-Y113 WeakPolarHBondContact O-CB 3.44Å; V109-Y113 PolarHBondContact O-N 3.28Å
110L95.9Very high94.7Very high45 Ų4574.7 Ų74.724%0.23636%0.356CS..Hα-helixtrans-64.6-45.2179.2-17065.8000112.2L60 F106 S107 W108 Y113 W114L60-L110 HydrophobicContact CD2-CD2 3.94Å; F106-L110 HydrophobicContact CE1-CD2 4.45Å; F106-L110 WeakPolarHBondContact O-CB 3.44Å; F106-L110 PolarHBondContact O-N 2.91Å; S107-L110 PolarHBondContact O-N 3.22Å; W108-L110 VanDerWaalsContact C-N 3.25Å; W108-L110 PolarHBondContact O-N 3.12Å; L110-Y113 WeakPolarHBondContact O-CB 3.39Å; L110-Y113 PolarHBondContact O-N 3.49Å; L110-W114 HydrophobicContact CD1-CZ2 3.84Å; L110-W114 HydrophobicContact CD2-CH2 3.44Å; L110-W114 VanDerWaalsContact CD2-CH2 3.44Å; L110-W114 HydrophobicContact CD2-CZ2 3.39Å; L110-W114 HydrophobicContact CD2-CZ3 4.23Å; L110-W114 HydrophobicContact CG-CD2 4.14Å; L110-W114 HydrophobicContact CG-CE3 4.39Å; L110-W114 HydrophobicContact CG-CH2 3.72Å; L110-W114 HydrophobicContact CG-CZ2 3.4Å; L110-W114 HydrophobicContact CG-CZ3 4.2Å; L110-W114 VanDerWaalsContact O-CG 3.28Å; L110-W114 PolarHBondContact O-N 3.2Å
111V95.4Very high94.5Very high14 Ų1476.3 Ų76.39%0.08537%0.365CS..Hα-helixtrans-65.7-39.9177.2172.90000111.6L60 L61 S107 W108 Y113 W114 S115 W119L60-V111 HydrophobicContact CD2-CG2 4.48Å; L61-V111 HydrophobicContact CD1-CB 4.49Å; L61-V111 HydrophobicContact CD1-CG1 4.37Å; L61-V111 HydrophobicContact CD1-CG2 4.18Å; L61-V111 HydrophobicContact CD2-CG2 4.12Å; L61-V111 HydrophobicContact CG-CG2 4Å; S107-V111 WeakPolarHBondContact O-CG2 3.02Å; S107-V111 PolarHBondContact O-N 2.79Å; W108-V111 PolarHBondContact O-N 2.67Å; V111-Y113 VanDerWaalsContact C-N 3.35Å; V111-W114 HydrophobicContact CG2-CE3 4.14Å; V111-W114 HydrophobicContact CG2-CZ3 4.18Å; V111-W114 PolarHBondContact O-N 3.02Å; V111-S115 WeakPolarHBondContact O-CB 3.14Å; V111-S115 PolarHBondContact O-N 3.48Å; V111-S115 PolarHBondContact O-OG 2.85Å; V111-W119 HydrophobicContact CG1-CH2 4.31Å; V111-W119 HydrophobicContact CG1-CZ3 4.45Å
112I95.4Very high94.4Very high73 Ų7373.2 Ų73.237%0.37435%0.348SS..Hα-helixtrans-64.4-41.8174.4-68166.1000110.7W108 V109 W114 S115 R116W108-I112 WeakPolarHBondContact O-CB 3.38Å; W108-I112 VanDerWaalsContact O-CG1 3.27Å; W108-I112 WeakPolarHBondContact O-CG1 3.35Å; W108-I112 PolarHBondContact O-N 2.65Å; V109-I112 PolarHBondContact O-N 3.35Å; I112-W114 VanDerWaalsContact C-N 3.33Å; I112-W114 PolarHBondContact O-N 3.28Å; I112-S115 PolarHBondContact O-N 3.43Å; I112-S115 PolarHBondContact O-OG 2.9Å; I112-R116 WeakPolarHBondContact O-CG 3.47Å; I112-R116 PolarHBondContact O-N 2.92Å; I112-R116 VanDerWaalsContact O-N 3.08Å
113Y95.8Very high94.2Very high116 Ų11672.9 Ų72.946%0.45534%0.341SS..Hα-helixtrans-59.9-43.6175.4168.8-105.5000111.7V109 L110 V111 N121V109-Y113 VanDerWaalsContact O-CB 3.28Å; V109-Y113 WeakPolarHBondContact O-CB 3.44Å; V109-Y113 PolarHBondContact O-N 3.28Å; L110-Y113 WeakPolarHBondContact O-CB 3.39Å; L110-Y113 PolarHBondContact O-N 3.49Å; V111-Y113 VanDerWaalsContact C-N 3.35Å; Y113-N121 HydrophobicContact CE1-CB 3.79Å; Y113-N121 VanDerWaalsContact CZ-ND2 3.33Å; Y113-N121 PolarHBondContact OH-ND2 3.21Å; Y113-N121 VanDerWaalsContact OH-ND2 3.09Å
114W94.9Very high94.1Very high26 Ų2669.1 Ų69.110%0.09832%0.322CS..Hα-helixtrans-64.7-43.6175.6-64.9-26.9000112.4L60 L110 V111 I112 R116 W119 N121 H122 P123L60-W114 HydrophobicContact CD2-CH2 3.94Å; L60-W114 HydrophobicContact CD2-CZ3 3.95Å; L110-W114 HydrophobicContact CD1-CZ2 3.84Å; L110-W114 HydrophobicContact CD2-CH2 3.44Å; L110-W114 VanDerWaalsContact CD2-CH2 3.44Å; L110-W114 HydrophobicContact CD2-CZ2 3.39Å; L110-W114 HydrophobicContact CD2-CZ3 4.23Å; L110-W114 HydrophobicContact CG-CD2 4.14Å; L110-W114 HydrophobicContact CG-CE3 4.39Å; L110-W114 HydrophobicContact CG-CH2 3.72Å; L110-W114 HydrophobicContact CG-CZ2 3.4Å; L110-W114 HydrophobicContact CG-CZ3 4.2Å; L110-W114 VanDerWaalsContact O-CG 3.28Å; L110-W114 PolarHBondContact O-N 3.2Å; V111-W114 HydrophobicContact CG2-CE3 4.14Å; V111-W114 HydrophobicContact CG2-CZ3 4.18Å; V111-W114 PolarHBondContact O-N 3.02Å; I112-W114 VanDerWaalsContact C-N 3.33Å; I112-W114 PolarHBondContact O-N 3.28Å; W114-R116 VanDerWaalsContact C-N 3.34Å; W114-R116 PolarHBondContact O-N 2.82Å; W114-W119 HydrophobicContact CB-CE3 3.92Å; W114-W119 HydrophobicContact CB-CZ3 4.15Å; W114-W119 WeakPolarHBondContact O-CA 3.19Å; W114-W119 PolarHBondContact O-N 3.48Å; W114-N121 PolarHBondContact NE1-O 2.88Å; W114-H122 HydrophobicContact CB-CB 4.46Å; W114-H122 AromaticContact CD2-CD2 3.75Å; W114-H122 AromaticContact CE3-CD2 3.49Å; W114-H122 VanDerWaalsContact CE3-CD2 3.49Å; W114-H122 HydrophobicContact CG-CB 4.34Å; W114-H122 AromaticContact CZ3-CD2 3.91Å; W114-P123 HydrophobicContact CZ2-CG 4.01Å
115S93.1Very high93.9Very high49 Ų4968.2 Ų68.234%0.34332%0.318SS..Hα-helixtrans-66.7-33.6-176.972.70000113V111 I112 H117 K118V111-S115 WeakPolarHBondContact O-CB 3.14Å; V111-S115 PolarHBondContact O-N 3.48Å; V111-S115 PolarHBondContact O-OG 2.85Å; I112-S115 PolarHBondContact O-N 3.43Å; I112-S115 PolarHBondContact O-OG 2.9Å; S115-H117 VanDerWaalsContact C-N 3.28Å; S115-H117 PolarHBondContact O-N 3.27Å; S115-K118 PolarHBondContact O-N 2.92Å
116R91.9Very high93.7Very high198 Ų19867.5 Ų67.575%0.74731%0.312SS*.Hα-helixtrans-59-32.3-179.4-81.8-176.7175.7173.90.8114.5I112 W114I112-R116 WeakPolarHBondContact O-CG 3.47Å; I112-R116 PolarHBondContact O-N 2.92Å; I112-R116 VanDerWaalsContact O-N 3.08Å; W114-R116 VanDerWaalsContact C-N 3.34Å; W114-R116 PolarHBondContact O-N 2.82Å
117H87.9Confident93.4Very high114 Ų11463.3 Ų63.353%0.52830%0.295SS..THydrogen-bonded Turntrans-103.438.5178.9-69-71.5000112.8S115 W119 G120 N121S115-H117 VanDerWaalsContact C-N 3.28Å; S115-H117 PolarHBondContact O-N 3.27Å; H117-W119 PolarHBondContact O-N 3.16Å; H117-W119 VanDerWaalsContact O-N 3.1Å; H117-G120 PolarHBondContact O-N 3.46Å; H117-N121 PolarHBondContact CD2-ND2 3.26Å; H117-N121 VanDerWaalsContact CD2-ND2 3.34Å
118K88.9Confident93.2Very high180 Ų18063.1 Ų63.178%0.78329%0.294SS*.THydrogen-bonded Turntrans50.236.3-176.1-60.2-178.2178.5179.10112.2S115 G120 W138S115-K118 PolarHBondContact O-N 2.92Å; K118-G120 PolarHBondContact O-N 3.22Å; K118-W138 VanDerWaalsContact O-CZ2 3.29Å; K118-W138 WeakPolarHBondContact O-CZ2 3.45Å
119W92.8Very high92.9Very high62 Ų6260.7 Ų60.724%0.23529%0.287CS..THydrogen-bonded Turntrans68.35.9-176-47.993.3000115.9V53 S57 V111 W114 H117 N121 H122 S125V53-W119 HydrophobicContact CG1-CB 3.9Å; V53-W119 HydrophobicContact CG1-CD2 3.53Å; V53-W119 HydrophobicContact CG1-CE3 3.38Å; V53-W119 HydrophobicContact CG1-CG 3.76Å; V53-W119 HydrophobicContact CG1-CZ3 4.09Å; S57-W119 WeakPolarHBondContact OG-CZ3 3.38Å; V111-W119 HydrophobicContact CG1-CH2 4.31Å; V111-W119 HydrophobicContact CG1-CZ3 4.45Å; W114-W119 HydrophobicContact CB-CE3 3.92Å; W114-W119 HydrophobicContact CB-CZ3 4.15Å; W114-W119 WeakPolarHBondContact O-CA 3.19Å; W114-W119 PolarHBondContact O-N 3.48Å; H117-W119 PolarHBondContact O-N 3.16Å; H117-W119 VanDerWaalsContact O-N 3.1Å; W119-N121 PolarHBondContact O-N 3.27Å; W119-N121 VanDerWaalsContact O-N 3.08Å; W119-H122 HydrophobicContact CB-CB 4.33Å; W119-H122 WeakPolarHBondContact O-CB 3.16Å; W119-H122 PolarHBondContact O-N 3.13Å; W119-S125 WeakPolarHBondContact O-CB 3.22Å; W119-S125 PolarHBondContact O-OG 2.79Å
120G89.5Confident92.6Very high6 Ų657.5 Ų57.56%0.06227%0.271CS..THydrogen-bonded Turntrans-63.7-17.4-178.800000115.5H117 K118 Q126 K129H117-G120 PolarHBondContact O-N 3.46Å; K118-G120 PolarHBondContact O-N 3.22Å; G120-Q126 PolarHBondContact O-NE2 2.93Å; G120-K129 WeakPolarHBondContact O-CE 3.39Å; G120-K129 PolarHBondContact O-NZ 3.22Å
121N91.8Very high92.3Very high39 Ų3956.5 Ų56.521%0.20926%0.264CS..THydrogen-bonded Turntrans-95.3-4174.3-68-18.1000113.4Y113 W114 H117 W119Y113-N121 HydrophobicContact CE1-CB 3.79Å; Y113-N121 VanDerWaalsContact CZ-ND2 3.33Å; Y113-N121 PolarHBondContact OH-ND2 3.21Å; Y113-N121 VanDerWaalsContact OH-ND2 3.09Å; W114-N121 PolarHBondContact NE1-O 2.88Å; H117-N121 PolarHBondContact CD2-ND2 3.26Å; H117-N121 VanDerWaalsContact CD2-ND2 3.34Å; W119-N121 PolarHBondContact O-N 3.27Å; W119-N121 VanDerWaalsContact O-N 3.08Å
122H94.4Very high92Very high3 Ų357 Ų571%0.01427%0.271CS..SBendtrans-65.9142.6176.5-171.3-90000110.2T56 W114 W119 I124 S125 Q126T56-H122 PolarHBondContact OG1-CE1 2.95Å; T56-H122 PolarHBondContact OG1-NE2 3.26Å; W114-H122 HydrophobicContact CB-CB 4.46Å; W114-H122 AromaticContact CD2-CD2 3.75Å; W114-H122 AromaticContact CE3-CD2 3.49Å; W114-H122 VanDerWaalsContact CE3-CD2 3.49Å; W114-H122 HydrophobicContact CG-CB 4.34Å; W114-H122 AromaticContact CZ3-CD2 3.91Å; W119-H122 HydrophobicContact CB-CB 4.33Å; W119-H122 WeakPolarHBondContact O-CB 3.16Å; W119-H122 PolarHBondContact O-N 3.13Å; H122-I124 VanDerWaalsContact C-N 3.28Å; H122-I124 PolarHBondContact ND1-N 3.21Å; H122-I124 PolarHBondContact O-N 3.15Å; H122-S125 PolarHBondContact O-N 3.09Å; H122-Q126 WeakPolarHBondContact O-CG 3.36Å; H122-Q126 PolarHBondContact O-N 2.9Å
123P93.1Very high91.4Very high47 Ų4759.7 Ų59.731%0.30529%0.285SS..Hα-helixtrans-52.8-41.1-178.4-29.735.5000114.5W114 Q126 N127 Y178W114-P123 HydrophobicContact CZ2-CG 4.01Å; P123-Q126 PolarHBondContact O-N 2.97Å; P123-N127 WeakPolarHBondContact O-CB 3.16Å; P123-N127 PolarHBondContact O-N 3.34Å; P123-Y178 HydrophobicContact CB-CD1 4.47Å; P123-Y178 HydrophobicContact CB-CE1 4.19Å
124I94.2Very high90.5Very high3 Ų360.4 Ų60.42%0.01530%0.304CS..Hα-helixtrans-62-46.8176-61.2173.5000110.9I49 H52 V53 T56 H122 Q126 N127 L128 V179I49-I124 HydrophobicContact CG2-CG2 4.36Å; H52-I124 HydrophobicContact CB-CD1 4.03Å; V53-I124 HydrophobicContact CG2-CB 4.12Å; V53-I124 HydrophobicContact CG2-CD1 4.21Å; V53-I124 HydrophobicContact CG2-CG2 4.27Å; T56-I124 HydrophobicContact CG2-CD1 4.22Å; H122-I124 VanDerWaalsContact C-N 3.28Å; H122-I124 PolarHBondContact ND1-N 3.21Å; H122-I124 PolarHBondContact O-N 3.15Å; I124-Q126 VanDerWaalsContact C-N 3.33Å; I124-Q126 PolarHBondContact O-N 3.2Å; I124-N127 WeakPolarHBondContact O-CB 3.14Å; I124-N127 PolarHBondContact O-N 3.24Å; I124-L128 HydrophobicContact CG2-CD1 4.46Å; I124-L128 WeakPolarHBondContact O-CG 3.41Å; I124-L128 PolarHBondContact O-N 2.78Å; I124-V179 HydrophobicContact CD1-CB 4.17Å; I124-V179 HydrophobicContact CD1-CG2 3.75Å; I124-V179 HydrophobicContact CG1-CB 4.22Å; I124-V179 HydrophobicContact CG1-CG2 4.34Å
125S93.4Very high89.5Confident0 Ų068.4 Ų68.40%034%0.342CS..Hα-helixtrans-66.6-35179.2-60.90000112.3W119 H122 L128 K129 W138W119-S125 WeakPolarHBondContact O-CB 3.22Å; W119-S125 PolarHBondContact O-OG 2.79Å; H122-S125 PolarHBondContact O-N 3.09Å; S125-L128 PolarHBondContact O-N 3.16Å; S125-K129 WeakPolarHBondContact O-CG 3.44Å; S125-K129 PolarHBondContact O-N 3.46Å; S125-W138 WeakPolarHBondContact O-CB 3.42Å; S125-W138 WeakPolarHBondContact OG-CH2 3.45Å; S125-W138 VanDerWaalsContact OG-CZ3 3.27Å; S125-W138 WeakPolarHBondContact OG-CZ3 3.28Å
126Q91.3Very high89Confident83 Ų8368 Ų6839%0.38834%0.34SS..Hα-helixtrans-66.8-40173.2-66.7-73.911.400111.8G120 H122 P123 I124 L128 K129G120-Q126 PolarHBondContact O-NE2 2.93Å; H122-Q126 WeakPolarHBondContact O-CG 3.36Å; H122-Q126 PolarHBondContact O-N 2.9Å; P123-Q126 PolarHBondContact O-N 2.97Å; I124-Q126 VanDerWaalsContact C-N 3.33Å; I124-Q126 PolarHBondContact O-N 3.2Å; Q126-L128 VanDerWaalsContact C-N 3.33Å; Q126-L128 PolarHBondContact O-N 3.09Å; Q126-K129 VanDerWaalsContact CD-NZ 3.3Å; Q126-K129 WeakPolarHBondContact O-CB 3.33Å; Q126-K129 PolarHBondContact O-N 3.48Å
127N90.9Very high88.7Confident43 Ų4360.9 Ų60.923%0.2333%0.328CS..Hα-helixtrans-60.4-44.6173.7-170.3-45.2000110.8P123 I124 K129 A130 I181P123-N127 WeakPolarHBondContact O-CB 3.16Å; P123-N127 PolarHBondContact O-N 3.34Å; I124-N127 WeakPolarHBondContact O-CB 3.14Å; I124-N127 PolarHBondContact O-N 3.24Å; N127-K129 PolarHBondContact O-N 3.08Å; N127-A130 VanDerWaalsContact O-CB 3.27Å; N127-A130 WeakPolarHBondContact O-CB 3.47Å; N127-A130 PolarHBondContact O-N 3.16Å; N127-I181 PolarHBondContact OD1-O 2.91Å
128L92.7Very high89Confident0 Ų057.9 Ų57.90%031%0.312CS..Hα-helixtrans-61.1-28.6176.2-71174.1000113.9I49 I124 S125 Q126 A130 H131 A132 W138 V141 A142 V145 I181I49-L128 HydrophobicContact CD1-CD1 4.02Å; I49-L128 HydrophobicContact CD1-CD2 4.41Å; I49-L128 HydrophobicContact CG1-CD1 4.19Å; I49-L128 HydrophobicContact CG2-CD1 3.76Å; I124-L128 HydrophobicContact CG2-CD1 4.46Å; I124-L128 WeakPolarHBondContact O-CG 3.41Å; I124-L128 PolarHBondContact O-N 2.78Å; S125-L128 PolarHBondContact O-N 3.16Å; Q126-L128 VanDerWaalsContact C-N 3.33Å; Q126-L128 PolarHBondContact O-N 3.09Å; L128-A130 PolarHBondContact O-N 2.9Å; L128-H131 PolarHBondContact O-N 3.37Å; L128-H131 VanDerWaalsContact O-N 3.16Å; L128-A132 PolarHBondContact O-N 3.08Å; L128-W138 HydrophobicContact CB-CB 4.03Å; L128-W138 HydrophobicContact CD1-CE3 4.03Å; L128-V141 HydrophobicContact CD2-CB 4.42Å; L128-V141 HydrophobicContact CD2-CG1 3.76Å; L128-A142 HydrophobicContact CD1-CB 3.91Å; L128-V145 HydrophobicContact CD2-CG2 4.44Å; L128-I181 HydrophobicContact CD2-CD1 3.54Å; L128-I181 HydrophobicContact CD2-CG2 4.34Å; L128-I181 HydrophobicContact CG-CD1 4.18Å
129K91.3Very high89.2Confident79 Ų7951.1 Ų51.134%0.34329%0.293SS..Hα-helixtrans-63.6-28.3175.3-69.9180-164.4162.20112.6G120 S125 Q126 N127 H131 A132 W138G120-K129 WeakPolarHBondContact O-CE 3.39Å; G120-K129 PolarHBondContact O-NZ 3.22Å; S125-K129 WeakPolarHBondContact O-CG 3.44Å; S125-K129 PolarHBondContact O-N 3.46Å; Q126-K129 VanDerWaalsContact CD-NZ 3.3Å; Q126-K129 WeakPolarHBondContact O-CB 3.33Å; Q126-K129 PolarHBondContact O-N 3.48Å; N127-K129 PolarHBondContact O-N 3.08Å; K129-H131 PolarHBondContact O-N 3.19Å; K129-H131 VanDerWaalsContact O-N 3.16Å; K129-A132 PolarHBondContact O-N 2.98Å; K129-A132 VanDerWaalsContact O-N 3.13Å; K129-W138 HydrophobicContact CG-CB 3.72Å; K129-W138 HydrophobicContact CG-CG 4.39Å
130A89.3Confident89.1Confident28 Ų2850.8 Ų50.823%0.23130%0.303CS..THydrogen-bonded Turntrans-62.8-20.5177.400000112.7N127 L128 N218 V221N127-A130 VanDerWaalsContact O-CB 3.27Å; N127-A130 WeakPolarHBondContact O-CB 3.47Å; N127-A130 PolarHBondContact O-N 3.16Å; L128-A130 PolarHBondContact O-N 2.9Å; A130-N218 PolarHBondContact O-ND2 3.22Å; A130-V221 HydrophobicContact CB-CG2 4.1Å
131H90.4Very high89.4Confident23 Ų2350.9 Ų50.911%0.10630%0.303CS..THydrogen-bonded Turntrans-106.90.6179.9-52.8-72.2000113L128 K129 V141 W170 I181 L183 V221L128-H131 PolarHBondContact O-N 3.37Å; L128-H131 VanDerWaalsContact O-N 3.16Å; K129-H131 PolarHBondContact O-N 3.19Å; K129-H131 VanDerWaalsContact O-N 3.16Å; H131-V141 HydrophobicContact CB-CG1 4.13Å; H131-W170 HydrophobicContact CB-CH2 3.95Å; H131-W170 HydrophobicContact CB-CZ3 4Å; H131-W170 AromaticContact CG-CZ3 3.9Å; H131-I181 PolarHBondContact NE2-O 3.42Å; H131-L183 HydrophobicContact CB-CD1 4.35Å; H131-V221 WeakPolarHBondContact CE1-CG2 3.46Å
132A88.8Confident89.5Confident26 Ų2649.1 Ų49.122%0.21529%0.294CS..SBendtrans-83.2143.2-178.900000110.8L128 K129 S136 V141L128-A132 PolarHBondContact O-N 3.08Å; K129-A132 PolarHBondContact O-N 2.98Å; K129-A132 VanDerWaalsContact O-N 3.13Å; A132-S136 WeakPolarHBondContact CB-O 3.15Å; A132-V141 HydrophobicContact CB-CG2 3.75Å
133L83.7Confident89.5Confident129 Ų12952.2 Ų52.268%0.67532%0.316SS*.  trans-69.6155.2171.7-68.9164.3000109.3Q135 S136L133-Q135 PolarHBondContact O-N 3.48Å; L133-S136 WeakPolarHBondContact CB-OG 3.44Å; L133-S136 PolarHBondContact N-OG 2.93Å; L133-S136 VanDerWaalsContact N-OG 3.12Å; L133-S136 PolarHBondContact O-N 3.32Å; L133-S136 PolarHBondContact O-OG 3.27Å
134P75.6Confident89.5Confident131 Ų13152 Ų5285%0.85132%0.316SS*.THydrogen-bonded Turntrans-54.5-27.4-177.7-27.734.7000114.9
135Q75.4Confident89.5Confident193 Ų19352 Ų5290%0.90232%0.315SS*.THydrogen-bonded Turntrans-97.1-7.1-179.3-60.2-65.3-19.600113.4L133L133-Q135 PolarHBondContact O-N 3.48Å
136S81.4Confident89.6Confident42 Ų4252.6 Ų52.629%0.29432%0.319SS..SBendtrans-113.5140.1-178.469.40000111.6A132 L133A132-S136 WeakPolarHBondContact CB-O 3.15Å; L133-S136 WeakPolarHBondContact CB-OG 3.44Å; L133-S136 PolarHBondContact N-OG 2.93Å; L133-S136 VanDerWaalsContact N-OG 3.12Å; L133-S136 PolarHBondContact O-N 3.32Å; L133-S136 PolarHBondContact O-OG 3.27Å
137G86.9Confident89.8Confident48 Ų4852 Ų5250%0.49532%0.321SS..  trans-78.9164.6173.700000111.9G139 A140G137-G139 PolarHBondContact O-N 3.2Å; G137-A140 WeakPolarHBondContact O-CB 3.47Å; G137-A140 PolarHBondContact O-N 2.7Å
138W92.5Very high89.9Confident50 Ų5050.8 Ų50.819%0.18931%0.314CS..Hα-helixtrans-52.3-25.1172.269.3-86.9000113.9I49 K118 S125 L128 K129 A140 V141 A142I49-W138 HydrophobicContact CG2-CZ3 4.36Å; K118-W138 VanDerWaalsContact O-CZ2 3.29Å; K118-W138 WeakPolarHBondContact O-CZ2 3.45Å; S125-W138 WeakPolarHBondContact O-CB 3.42Å; S125-W138 WeakPolarHBondContact OG-CH2 3.45Å; S125-W138 VanDerWaalsContact OG-CZ3 3.27Å; S125-W138 WeakPolarHBondContact OG-CZ3 3.28Å; L128-W138 HydrophobicContact CB-CB 4.03Å; L128-W138 HydrophobicContact CD1-CE3 4.03Å; K129-W138 HydrophobicContact CG-CB 3.72Å; K129-W138 HydrophobicContact CG-CG 4.39Å; W138-A140 VanDerWaalsContact C-N 3.3Å; W138-A140 PolarHBondContact O-N 2.84Å; W138-V141 PolarHBondContact O-N 3.45Å; W138-A142 HydrophobicContact CE3-CB 4.14Å; W138-A142 HydrophobicContact CZ3-CB 4.16Å; W138-A142 WeakPolarHBondContact O-CB 3.42Å; W138-A142 PolarHBondContact O-N 2.68Å
139G93Very high89.9Confident39 Ų3950.9 Ų50.940%0.40231%0.314SS..Hα-helixtrans-63.1-32.2176.200000113.6G137 A142 S143G137-G139 PolarHBondContact O-N 3.2Å; G139-A142 PolarHBondContact O-N 2.86Å; G139-S143 PolarHBondContact O-N 2.84Å
140A92.5Very high90Very high54 Ų5454 Ų5445%0.44632%0.324SS..Hα-helixtrans-67.9-44.9175.300000110.8G137 W138 A142 S143 S144G137-A140 WeakPolarHBondContact O-CB 3.47Å; G137-A140 PolarHBondContact O-N 2.7Å; W138-A140 VanDerWaalsContact C-N 3.3Å; W138-A140 PolarHBondContact O-N 2.84Å; A140-A142 VanDerWaalsContact C-N 3.35Å; A140-A142 PolarHBondContact O-N 3.16Å; A140-S143 WeakPolarHBondContact O-CB 3.37Å; A140-S143 PolarHBondContact O-N 2.82Å; A140-S144 PolarHBondContact O-N 3.15Å
141V94Very high90.1Very high9 Ų958.4 Ų58.46%0.05534%0.335CS..Hα-helixtrans-60.7-45.7174.1-171.10000110.4L128 H131 A132 W138 S143 S144 V145 W170L128-V141 HydrophobicContact CD2-CB 4.42Å; L128-V141 HydrophobicContact CD2-CG1 3.76Å; H131-V141 HydrophobicContact CB-CG1 4.13Å; A132-V141 HydrophobicContact CB-CG2 3.75Å; W138-V141 PolarHBondContact O-N 3.45Å; V141-S143 VanDerWaalsContact C-N 3.26Å; V141-S143 PolarHBondContact O-N 2.92Å; V141-S144 PolarHBondContact O-N 2.83Å; V141-S144 VanDerWaalsContact O-N 3.14Å; V141-V145 WeakPolarHBondContact O-CG2 3.45Å; V141-V145 PolarHBondContact O-N 3.23Å; V141-W170 HydrophobicContact CG1-CH2 3.38Å; V141-W170 HydrophobicContact CG1-CZ2 3.78Å; V141-W170 HydrophobicContact CG1-CZ3 4.14Å
142A94.7Very high90Very high1 Ų165.3 Ų65.31%0.00837%0.371CS..Hα-helixtrans-58.2-38.5176.200000112.5I49 L128 W138 G139 A140 N146I49-A142 HydrophobicContact CB-CB 4.09Å; I49-A142 HydrophobicContact CG1-CB 3.99Å; I49-A142 HydrophobicContact CG2-CB 3.91Å; L128-A142 HydrophobicContact CD1-CB 3.91Å; W138-A142 HydrophobicContact CE3-CB 4.14Å; W138-A142 HydrophobicContact CZ3-CB 4.16Å; W138-A142 WeakPolarHBondContact O-CB 3.42Å; W138-A142 PolarHBondContact O-N 2.68Å; G139-A142 PolarHBondContact O-N 2.86Å; A140-A142 VanDerWaalsContact C-N 3.35Å; A140-A142 PolarHBondContact O-N 3.16Å; A142-N146 WeakPolarHBondContact O-CB 3.41Å; A142-N146 PolarHBondContact O-N 2.72Å; A142-N146 PolarHBondContact O-ND2 2.91Å; A142-N146 PolarHBondContact O-OD1 3.46Å
143S93.8Very high89.9Confident68 Ų6868.3 Ų68.348%0.47638%0.383SS..Hα-helixtrans-68-39.8176.7-167.10000112.4G139 A140 V141 N146 T147G139-S143 PolarHBondContact O-N 2.84Å; A140-S143 WeakPolarHBondContact O-CB 3.37Å; A140-S143 PolarHBondContact O-N 2.82Å; V141-S143 VanDerWaalsContact C-N 3.26Å; V141-S143 PolarHBondContact O-N 2.92Å; S143-N146 PolarHBondContact O-N 3.31Å; S143-T147 WeakPolarHBondContact O-CB 3.47Å; S143-T147 PolarHBondContact O-N 3.35Å; S143-T147 PolarHBondContact O-OG1 2.84Å
144S94.1Very high90.3Very high44 Ų4464.8 Ų64.831%0.30836%0.362SS..Hα-helixtrans-62-50.2174.5156.40000110.8A140 V141 N146 T147 E148 W170A140-S144 PolarHBondContact O-N 3.15Å; V141-S144 PolarHBondContact O-N 2.83Å; V141-S144 VanDerWaalsContact O-N 3.14Å; S144-N146 VanDerWaalsContact C-N 3.33Å; S144-N146 PolarHBondContact O-N 2.78Å; S144-T147 PolarHBondContact O-N 3.29Å; S144-T147 VanDerWaalsContact O-N 3.16Å; S144-E148 PolarHBondContact O-N 3.42Å; S144-E148 PolarHBondContact OG-OE1 3.33Å; S144-W170 PolarHBondContact OG-NE1 3.01Å
145V94.8Very high91.1Very high1 Ų158.6 Ų58.61%0.00632%0.322CS..Hα-helixtrans-56.5-46.7176.31750000111.2F48 I49 L128 V141 T147 E148 F149 W170 M172F48-V145 HydrophobicContact CD1-CG1 3.82Å; F48-V145 HydrophobicContact CE1-CG1 4.27Å; I49-V145 HydrophobicContact CD1-CB 4.43Å; I49-V145 HydrophobicContact CD1-CG1 3.95Å; I49-V145 HydrophobicContact CG1-CB 4.27Å; I49-V145 HydrophobicContact CG1-CG1 4.11Å; L128-V145 HydrophobicContact CD2-CG2 4.44Å; V141-V145 WeakPolarHBondContact O-CG2 3.45Å; V141-V145 PolarHBondContact O-N 3.23Å; V145-T147 PolarHBondContact O-N 3.24Å; V145-E148 PolarHBondContact O-N 3.43Å; V145-F149 VanDerWaalsContact O-CB 3.24Å; V145-F149 WeakPolarHBondContact O-CB 3.48Å; V145-F149 PolarHBondContact O-N 3.04Å; V145-W170 HydrophobicContact CG2-CD2 3.66Å; V145-W170 HydrophobicContact CG2-CE3 4.25Å; V145-W170 HydrophobicContact CG2-CG 3.9Å; V145-W170 HydrophobicContact CG2-CZ2 4.05Å; V145-M172 HydrophobicContact CG1-CE 4.47Å; V145-M172 HydrophobicContact CG1-SD 3.54Å; V145-M172 VanDerWaalsContact CG1-SD 3.54Å
146N95.3Very high91.9Very high13 Ų1351.8 Ų51.87%0.0730%0.299CS..Hα-helixtrans-62.9-40.2179.2-74.2-14.4000112.5F48 I49 Q50 A142 S143 S144 R150F48-N146 WeakPolarHBondContact CB-OD1 3.46Å; F48-N146 PolarHBondContact N-OD1 3.23Å; F48-N146 VanDerWaalsContact N-OD1 3.1Å; I49-N146 PolarHBondContact N-OD1 3.29Å; Q50-N146 PolarHBondContact OE1-ND2 3.34Å; A142-N146 WeakPolarHBondContact O-CB 3.41Å; A142-N146 PolarHBondContact O-N 2.72Å; A142-N146 PolarHBondContact O-ND2 2.91Å; A142-N146 PolarHBondContact O-OD1 3.46Å; S143-N146 PolarHBondContact O-N 3.31Å; S144-N146 VanDerWaalsContact C-N 3.33Å; S144-N146 PolarHBondContact O-N 2.78Å; N146-R150 WeakPolarHBondContact O-CG 3.41Å; N146-R150 PolarHBondContact O-N 3.39Å
147T94.2Very high92.3Very high72 Ų7250.4 Ų50.444%0.44229%0.288SS..Hα-helixtrans-66.4-42.8178.5-64.60000111.6S143 S144 V145 R150S143-T147 WeakPolarHBondContact O-CB 3.47Å; S143-T147 PolarHBondContact O-N 3.35Å; S143-T147 PolarHBondContact O-OG1 2.84Å; S144-T147 PolarHBondContact O-N 3.29Å; S144-T147 VanDerWaalsContact O-N 3.16Å; V145-T147 PolarHBondContact O-N 3.24Å; T147-R150 PolarHBondContact O-N 2.86Å
148E93.4Very high92.2Very high16 Ų1650.9 Ų50.98%0.07529%0.293CS..Hα-helixtrans-69.8-39176.3-78.2174.2-114.200112.1S144 V145 R150 R151 T167 T169 W170S144-E148 PolarHBondContact O-N 3.42Å; S144-E148 PolarHBondContact OG-OE1 3.33Å; V145-E148 PolarHBondContact O-N 3.43Å; E148-R150 PolarHBondContact O-N 3.21Å; E148-R151 VanDerWaalsContact O-CB 3.26Å; E148-R151 WeakPolarHBondContact O-CB 3.25Å; E148-R151 WeakPolarHBondContact O-CG 3.23Å; E148-R151 PolarHBondContact O-N 2.9Å; E148-T167 HydrophobicContact CB-CG2 4.29Å; E148-T169 PolarHBondContact OE1-OG1 3.48Å; E148-T169 WeakPolarHBondContact OE2-CB 3.34Å; E148-T169 PolarHBondContact OE2-N 3.44Å; E148-T169 PolarHBondContact OE2-OG1 3.43Å; E148-W170 PolarHBondContact OE1-NE1 3.29Å
149F93.5Very high91.6Very high2 Ų249.3 Ų49.31%0.00929%0.291CS..Hα-helixtrans-59.8-32.2176.4-178.5-97.1000112.6E44 F48 V145 R151 K154 L165E44-F149 HydrophobicContact CG-CE1 4.06Å; E44-F149 HydrophobicContact CG-CZ 3.99Å; E44-F149 WeakPolarHBondContact O-CE1 3.27Å; F48-F149 HydrophobicContact CB-CB 4.14Å; F48-F149 HydrophobicContact CB-CD1 3.79Å; F48-F149 HydrophobicContact CB-CD2 4.38Å; F48-F149 HydrophobicContact CB-CE1 4.33Å; F48-F149 HydrophobicContact CB-CG 3.82Å; F48-F149 HydrophobicContact CD2-CD1 4.15Å; F48-F149 AromaticContact CD2-CD2 3.63Å; F48-F149 HydrophobicContact CD2-CD2 3.63Å; F48-F149 HydrophobicContact CD2-CE1 4.1Å; F48-F149 AromaticContact CD2-CE2 3.58Å; F48-F149 HydrophobicContact CD2-CE2 3.58Å; F48-F149 AromaticContact CD2-CG 3.92Å; F48-F149 HydrophobicContact CD2-CG 3.92Å; F48-F149 AromaticContact CD2-CZ 3.83Å; F48-F149 HydrophobicContact CD2-CZ 3.83Å; F48-F149 HydrophobicContact CE2-CD2 4.08Å; F48-F149 AromaticContact CE2-CE2 3.89Å; F48-F149 HydrophobicContact CE2-CE2 3.89Å; F48-F149 HydrophobicContact CE2-CZ 4.42Å; F48-F149 HydrophobicContact CG-CB 4.45Å; F48-F149 HydrophobicContact CG-CD1 4.3Å; F48-F149 HydrophobicContact CG-CD2 4.05Å; F48-F149 HydrophobicContact CG-CE2 4.43Å; F48-F149 AromaticContact CG-CG 3.98Å; F48-F149 HydrophobicContact CG-CG 3.98Å; V145-F149 VanDerWaalsContact O-CB 3.24Å; V145-F149 WeakPolarHBondContact O-CB 3.48Å; V145-F149 PolarHBondContact O-N 3.04Å; F149-R151 PolarHBondContact O-N 2.92Å; F149-K154 HydrophobicContact CD2-CD 4.3Å; F149-K154 HydrophobicContact CE2-CD 4.37Å; F149-K154 WeakPolarHBondContact O-CD 3.36Å; F149-K154 WeakPolarHBondContact O-CE 3.46Å; F149-K154 PolarHBondContact O-NZ 3.03Å; F149-L165 HydrophobicContact CD2-CD1 4.23Å; F149-L165 HydrophobicContact CE2-CD1 3.68Å; F149-L165 HydrophobicContact CE2-CD2 4.05Å; F149-L165 HydrophobicContact CE2-CG 4.48Å
150R93.1Very high90.8Very high145 Ų14551.1 Ų51.155%0.54730%0.295SS..THydrogen-bonded Turntrans-71-15.4176.4-73.8172.1-171.31755.6113.7D45 I46 N146 T147 E148D45-R150 WeakPolarHBondContact O-CG 3.32Å; D45-R150 PolarHBondContact O-NE 2.96Å; I46-R150 PolarHBondContact O-NE 3.22Å; I46-R150 PolarHBondContact O-NH2 3.16Å; N146-R150 WeakPolarHBondContact O-CG 3.41Å; N146-R150 PolarHBondContact O-N 3.39Å; T147-R150 PolarHBondContact O-N 2.86Å; E148-R150 PolarHBondContact O-N 3.21Å
151R91.6Very high89.9Confident121 Ų12149.3 Ų49.346%0.45728%0.282SS..SBendtrans-67.4148.9176.7-60.7179.5-179.8179.3-0.6109.8E148 F149 D153 K154 D168E148-R151 VanDerWaalsContact O-CB 3.26Å; E148-R151 WeakPolarHBondContact O-CB 3.25Å; E148-R151 WeakPolarHBondContact O-CG 3.23Å; E148-R151 PolarHBondContact O-N 2.9Å; F149-R151 PolarHBondContact O-N 2.92Å; R151-D153 VanDerWaalsContact C-N 3.29Å; R151-K154 PolarHBondContact O-NZ 3.27Å; R151-D168 IonicContact CZ-OD2 2.67Å; R151-D168 IonicContact NH1-OD2 3.67Å; R151-D168 PolarHBondContact NH1-OD2 3.3Å
152I86.9Confident89.4Confident168 Ų16851.6 Ų51.686%0.86230%0.302SS*.SBendtrans-71.2-35.5174.8-58.9172.3000109.2K154I152-K154 VanDerWaalsContact C-N 3.33Å; I152-K154 PolarHBondContact O-N 3.46Å
153D87.6Confident89.2Confident88 Ų8853.4 Ų53.447%0.47131%0.309SS..  trans-77.381.3-178-156.546.1000111.6R151 K239R151-D153 VanDerWaalsContact C-N 3.29Å; D153-K239 WeakPolarHBondContact OD1-CE 3.37Å; D153-K239 IonicContact OD1-NZ 3.21Å; D153-K239 PolarHBondContact OD1-NZ 3.37Å; D153-K239 IonicContact OD2-NZ 3.82Å; D153-K239 PolarHBondContact OD2-NZ 2.86Å
154K91.3Very high89.2Confident55 Ų5550.6 Ų50.624%0.23929%0.289CS..  trans-146.8139.6175.162.4-175.9175.8-107.70109.7F149 R151 I152 I166 T167F149-K154 HydrophobicContact CD2-CD 4.3Å; F149-K154 HydrophobicContact CE2-CD 4.37Å; F149-K154 WeakPolarHBondContact O-CD 3.36Å; F149-K154 WeakPolarHBondContact O-CE 3.46Å; F149-K154 PolarHBondContact O-NZ 3.03Å; R151-K154 PolarHBondContact O-NZ 3.27Å; I152-K154 VanDerWaalsContact C-N 3.33Å; I152-K154 PolarHBondContact O-N 3.46Å; K154-I166 CarbonylContact C-O 3.58Å; K154-I166 WeakPolarHBondContact CA-O 3.46Å; K154-T167 HydrophobicContact CB-CG2 4.2Å
155F92.3Very high89.3Confident2 Ų248.6 Ų48.61%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-82.7133.5170.3174.1-98.9000109.4T157 L165 I166 L228 E232 E235 L236 K239F155-T157 HydrophobicContact CE1-CG2 3.61Å; F155-T157 HydrophobicContact CZ-CG2 3.87Å; F155-L165 CarbonylContact O-C 3.53Å; F155-L165 WeakPolarHBondContact O-CA 3.25Å; F155-I166 HydrophobicContact CB-CB 4.25Å; F155-I166 HydrophobicContact CD1-CB 4.37Å; F155-I166 HydrophobicContact CD1-CD1 4.11Å; F155-I166 HydrophobicContact CD1-CG1 4.49Å; F155-I166 PolarHBondContact N-O 3.37Å; F155-I166 PolarHBondContact O-N 2.87Å; F155-L228 HydrophobicContact CZ-CD1 4.49Å; F155-E232 HydrophobicContact CE2-CB 4.18Å; F155-E232 HydrophobicContact CZ-CB 4.08Å; F155-E235 HydrophobicContact CD2-CB 4.17Å; F155-E235 HydrophobicContact CD2-CG 3.78Å; F155-E235 HydrophobicContact CE2-CB 4.1Å; F155-E235 HydrophobicContact CE2-CG 4.17Å; F155-L236 HydrophobicContact CD1-CD1 4.01Å; F155-L236 HydrophobicContact CE1-CB 4.19Å; F155-L236 HydrophobicContact CE1-CD1 3.93Å; F155-L236 HydrophobicContact CE2-CB 4.3Å; F155-L236 HydrophobicContact CZ-CB 4.01Å; F155-K239 HydrophobicContact CB-CB 4.3Å; F155-K239 HydrophobicContact CB-CG 3.85Å
156A91.9Very high89.2Confident50 Ų5048.5 Ų48.541%0.41327%0.274SS..EExtended strand (participates in β ladder)trans-141.4124.1-179.900000110.3V164 L165A156-V164 WeakPolarHBondContact CA-O 3.44Å; A156-L165 HydrophobicContact CB-CD2 3.54Å
157T90.1Very high89.2Confident13 Ų1348.1 Ų48.18%0.0827%0.272CS..EExtended strand (participates in β ladder)trans-133.8144.9175.91780000111.3F155 R163 V164 L228 E232F155-T157 HydrophobicContact CE1-CG2 3.61Å; F155-T157 HydrophobicContact CZ-CG2 3.87Å; T157-R163 CarbonylContact O-C 3.02Å; T157-R163 VanDerWaalsContact O-CA 3.24Å; T157-R163 WeakPolarHBondContact O-CA 3.3Å; T157-R163 WeakPolarHBondContact O-CB 3.24Å; T157-V164 HydrophobicContact CG2-CB 3.85Å; T157-V164 HydrophobicContact CG2-CG2 4.48Å; T157-V164 PolarHBondContact N-O 2.83Å; T157-V164 PolarHBondContact O-N 2.71Å; T157-L228 HydrophobicContact CG2-CB 4.03Å; T157-E232 WeakPolarHBondContact CB-OE2 3.41Å; T157-E232 PolarHBondContact OG1-OE1 2.86Å; T157-E232 PolarHBondContact OG1-OE2 3.38Å
158G85.1Confident89Confident58 Ų5846.9 Ų46.960%0.59826%0.263SS*.EExtended strand (participates in β ladder)trans88179.2-176.900000114.4
159A81.3Confident89Confident17 Ų1748.7 Ų48.714%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-80.5153.7-172.900000112.9G161 A162 R163A159-G161 PolarHBondContact O-N 3.44Å; A159-A162 PolarHBondContact N-O 2.96Å; A159-A162 CarbonylContact O-C 3.42Å; A159-A162 WeakPolarHBondContact O-CA 3.34Å; A159-A162 PolarHBondContact O-N 2.82Å; A159-R163 VanDerWaalsContact O-CB 3.22Å; A159-R163 WeakPolarHBondContact O-CB 3.5Å; A159-R163 PolarHBondContact O-N 3.35Å
160P75.9Confident89.1Confident76 Ų7649.1 Ų49.149%0.49428%0.277SS..THydrogen-bonded Turntrans-52.8-30.7-177.1-28.234.9000115.6R55R55-P160 PolarHBondContact NH1-O 2.8Å
161G73.3Confident89.2Confident17 Ų1742.2 Ų42.218%0.17525%0.251CS..THydrogen-bonded Turntrans-79.3-21.6176.100000115.2A159 T175A159-G161 PolarHBondContact O-N 3.44Å; G161-T175 CarbonylContact O-C 3.49Å
162A83.8Confident89.3Confident57 Ų5736.4 Ų36.447%0.47123%0.229SC..EExtended strand (participates in β ladder)trans-152.281.4-176.300000109.8A159 V174A159-A162 PolarHBondContact N-O 2.96Å; A159-A162 CarbonylContact O-C 3.42Å; A159-A162 WeakPolarHBondContact O-CA 3.34Å; A159-A162 PolarHBondContact O-N 2.82Å; A162-V174 VanDerWaalsContact CA-O 3.3Å; A162-V174 WeakPolarHBondContact CA-O 3.09Å
163R90.5Very high89.7Confident39 Ų3931 Ų3115%0.14720%0.199CC..EExtended strand (participates in β ladder)trans-133.9159.1-175.857.1176-178.5-177.77.7113.1E44 T157 A159 L165 V174E44-R163 IonicContact OE1-CZ 3.58Å; E44-R163 IonicContact OE1-NE 3.4Å; E44-R163 IonicContact OE1-NH2 2.6Å; E44-R163 PolarHBondContact OE1-NH2 3.31Å; E44-R163 IonicContact OE2-CZ 2.81Å; E44-R163 IonicContact OE2-NH2 3.64Å; E44-R163 PolarHBondContact OE2-NH2 3.46Å; T157-R163 CarbonylContact O-C 3.02Å; T157-R163 VanDerWaalsContact O-CA 3.24Å; T157-R163 WeakPolarHBondContact O-CA 3.3Å; T157-R163 WeakPolarHBondContact O-CB 3.24Å; A159-R163 VanDerWaalsContact O-CB 3.22Å; A159-R163 WeakPolarHBondContact O-CB 3.5Å; A159-R163 PolarHBondContact O-N 3.35Å; R163-L165 HydrophobicContact CG-CD1 4.37Å; R163-L165 HydrophobicContact CG-CG 4.32Å; R163-V174 HydrophobicContact CG-CB 4.21Å; R163-V174 HydrophobicContact CG-CG2 4.33Å; R163-V174 PolarHBondContact N-O 3.21Å; R163-V174 PolarHBondContact O-N 2.92Å
164V94.3Very high90Very high9 Ų926.9 Ų26.96%0.05518%0.177CC..EExtended strand (participates in β ladder)trans-105.3133.3171.5-178.20000107.8A156 T157 I166 M172 K173 I226A156-V164 WeakPolarHBondContact CA-O 3.44Å; T157-V164 HydrophobicContact CG2-CB 3.85Å; T157-V164 HydrophobicContact CG2-CG2 4.48Å; T157-V164 PolarHBondContact N-O 2.83Å; T157-V164 PolarHBondContact O-N 2.71Å; V164-I166 HydrophobicContact CG1-CD1 4.41Å; V164-I166 HydrophobicContact CG1-CG1 4.43Å; V164-M172 WeakPolarHBondContact CA-O 3.47Å; V164-K173 HydrophobicContact CG2-CG 4.5Å; V164-I226 HydrophobicContact CG1-CB 4.07Å; V164-I226 HydrophobicContact CG1-CD1 4.23Å; V164-I226 HydrophobicContact CG1-CG2 3.8Å; V164-I226 HydrophobicContact CG2-CB 3.79Å; V164-I226 HydrophobicContact CG2-CG2 3.85Å
165L94.3Very high90.1Very high1 Ų125.9 Ų25.91%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-129.7127.8-178.6-70.2161.3000108.4F48 F149 F155 A156 R163 M172 V174F48-L165 HydrophobicContact CD2-CD1 4.4Å; F48-L165 HydrophobicContact CE2-CD1 3.41Å; F48-L165 VanDerWaalsContact CE2-CD1 3.41Å; F48-L165 HydrophobicContact CZ-CD1 3.79Å; F149-L165 HydrophobicContact CD2-CD1 4.23Å; F149-L165 HydrophobicContact CE2-CD1 3.68Å; F149-L165 HydrophobicContact CE2-CD2 4.05Å; F149-L165 HydrophobicContact CE2-CG 4.48Å; F155-L165 CarbonylContact O-C 3.53Å; F155-L165 WeakPolarHBondContact O-CA 3.25Å; A156-L165 HydrophobicContact CB-CD2 3.54Å; R163-L165 HydrophobicContact CG-CD1 4.37Å; R163-L165 HydrophobicContact CG-CG 4.32Å; L165-M172 HydrophobicContact CB-CB 4.19Å; L165-M172 HydrophobicContact CB-CE 4.03Å; L165-M172 PolarHBondContact N-O 3.2Å; L165-M172 PolarHBondContact O-N 3.35Å; L165-V174 HydrophobicContact CD1-CG2 4.19Å
166I94.1Very high89.9Confident0 Ų028.1 Ų28.10%019%0.189CC..EExtended strand (participates in β ladder)trans-126.2125.5176.8-65166.4000108.2K154 F155 V164 W170 I171 L236 K239 L240K154-I166 CarbonylContact C-O 3.58Å; K154-I166 WeakPolarHBondContact CA-O 3.46Å; F155-I166 HydrophobicContact CB-CB 4.25Å; F155-I166 HydrophobicContact CD1-CB 4.37Å; F155-I166 HydrophobicContact CD1-CD1 4.11Å; F155-I166 HydrophobicContact CD1-CG1 4.49Å; F155-I166 PolarHBondContact N-O 3.37Å; F155-I166 PolarHBondContact O-N 2.87Å; V164-I166 HydrophobicContact CG1-CD1 4.41Å; V164-I166 HydrophobicContact CG1-CG1 4.43Å; I166-W170 WeakPolarHBondContact CA-O 3.23Å; I166-I171 HydrophobicContact CG1-CB 4.47Å; I166-I171 HydrophobicContact CG1-CG1 4.31Å; I166-I171 HydrophobicContact CG1-CG2 4.11Å; I166-L236 HydrophobicContact CD1-CD1 3.05Å; I166-L236 HydrophobicContact CG1-CD1 4.48Å; I166-K239 HydrophobicContact CG2-CB 4.34Å; I166-L240 HydrophobicContact CD1-CD2 4.43Å; I166-L240 HydrophobicContact CG2-CD2 4.23Å
167T93.8Very high89.9Confident4 Ų430.1 Ų30.13%0.02519%0.187CC..  trans-113.8177.6175.7570000108.6E148 K154 T169 W170 M172 Q184E148-T167 HydrophobicContact CB-CG2 4.29Å; K154-T167 HydrophobicContact CB-CG2 4.2Å; T167-T169 PolarHBondContact O-N 2.87Å; T167-W170 PolarHBondContact N-O 3.31Å; T167-W170 WeakPolarHBondContact OG1-CA 3.4Å; T167-W170 VanDerWaalsContact OG1-CB 3.3Å; T167-W170 WeakPolarHBondContact OG1-CB 3.25Å; T167-W170 PolarHBondContact OG1-N 2.98Å; T167-W170 PolarHBondContact OG1-O 2.97Å; T167-W170 VanDerWaalsContact OG1-O 3.08Å; T167-M172 HydrophobicContact CG2-CE 3.77Å; T167-Q184 PolarHBondContact O-NE2 2.8Å
168D91.4Very high89.9Confident46 Ų4635.9 Ų35.925%0.24621%0.208CC..SBendtrans-49.2-44.5177.3-55.4-29.8000112R151 H241R151-D168 IonicContact CZ-OD2 2.67Å; R151-D168 IonicContact NH1-OD2 3.67Å; R151-D168 PolarHBondContact NH1-OD2 3.3Å; D168-H241 PolarHBondContact O-CD2 2.92Å; D168-H241 VanDerWaalsContact O-CD2 3.3Å; D168-H241 PolarHBondContact O-NE2 3.31Å; D168-H241 VanDerWaalsContact O-NE2 3.16Å
169T93.3Very high90.3Very high55 Ų5533.3 Ų33.334%0.33718%0.181SC..SBendtrans-113.1-21.6-176.472.10000114.8E148 T167 Q184E148-T169 PolarHBondContact OE1-OG1 3.48Å; E148-T169 WeakPolarHBondContact OE2-CB 3.34Å; E148-T169 PolarHBondContact OE2-N 3.44Å; E148-T169 PolarHBondContact OE2-OG1 3.43Å; T167-T169 PolarHBondContact O-N 2.87Å; T169-Q184 WeakPolarHBondContact O-CB 3.34Å; T169-Q184 PolarHBondContact O-N 3.12Å
170W94.7Very high91Very high10 Ų1034.8 Ų34.84%0.03819%0.185CC..EExtended strand (participates in β ladder)trans-114.5137.1-173.4-53.995.8000113.5H131 V141 S144 V145 E148 I166 T167 M172 I181 L183H131-W170 HydrophobicContact CB-CH2 3.95Å; H131-W170 HydrophobicContact CB-CZ3 4Å; H131-W170 AromaticContact CG-CZ3 3.9Å; V141-W170 HydrophobicContact CG1-CH2 3.38Å; V141-W170 HydrophobicContact CG1-CZ2 3.78Å; V141-W170 HydrophobicContact CG1-CZ3 4.14Å; S144-W170 PolarHBondContact OG-NE1 3.01Å; V145-W170 HydrophobicContact CG2-CD2 3.66Å; V145-W170 HydrophobicContact CG2-CE3 4.25Å; V145-W170 HydrophobicContact CG2-CG 3.9Å; V145-W170 HydrophobicContact CG2-CZ2 4.05Å; E148-W170 PolarHBondContact OE1-NE1 3.29Å; I166-W170 WeakPolarHBondContact CA-O 3.23Å; T167-W170 PolarHBondContact N-O 3.31Å; T167-W170 WeakPolarHBondContact OG1-CA 3.4Å; T167-W170 VanDerWaalsContact OG1-CB 3.3Å; T167-W170 WeakPolarHBondContact OG1-CB 3.25Å; T167-W170 PolarHBondContact OG1-N 2.98Å; T167-W170 PolarHBondContact OG1-O 2.97Å; T167-W170 VanDerWaalsContact OG1-O 3.08Å; W170-M172 HydrophobicContact CB-CE 4.19Å; W170-M172 HydrophobicContact CB-CG 4.12Å; W170-M172 HydrophobicContact CB-SD 4.34Å; W170-I181 HydrophobicContact CD2-CG2 4.37Å; W170-I181 HydrophobicContact CE3-CG2 3.52Å; W170-I181 HydrophobicContact CZ3-CG2 3.99Å; W170-L183 HydrophobicContact CD2-CD2 4.23Å; W170-L183 HydrophobicContact CE3-CD2 3.83Å; W170-L183 HydrophobicContact CE3-CG 4.16Å; W170-L183 HydrophobicContact CH2-CD2 3.38Å; W170-L183 HydrophobicContact CH2-CG 3.86Å; W170-L183 HydrophobicContact CZ2-CD2 3.81Å; W170-L183 HydrophobicContact CZ3-CD2 3.41Å; W170-L183 VanDerWaalsContact CZ3-CD2 3.41Å; W170-L183 HydrophobicContact CZ3-CG 3.55Å
171I94.9Very high91.9Very high0 Ų031.2 Ų31.20%016%0.161CC..EExtended strand (participates in β ladder)trans-104.6122.1162.7-56.4179.1000107.9I166 I181 A182 Q184 T187 L189 V214 F224 L240I166-I171 HydrophobicContact CG1-CB 4.47Å; I166-I171 HydrophobicContact CG1-CG1 4.31Å; I166-I171 HydrophobicContact CG1-CG2 4.11Å; I171-I181 WeakPolarHBondContact O-CA 3.45Å; I171-A182 PolarHBondContact N-O 3.04Å; I171-A182 PolarHBondContact O-N 3Å; I171-Q184 HydrophobicContact CD1-CG 4.05Å; I171-Q184 HydrophobicContact CG1-CB 4.3Å; I171-Q184 HydrophobicContact CG1-CG 4.06Å; I171-T187 WeakPolarHBondContact CD1-OG1 3.16Å; I171-L189 HydrophobicContact CD1-CD1 3.73Å; I171-L189 HydrophobicContact CD1-CD2 4.35Å; I171-L189 HydrophobicContact CD1-CG 4.39Å; I171-V214 HydrophobicContact CD1-CG1 4.26Å; I171-V214 HydrophobicContact CG2-CG1 4.37Å; I171-V214 HydrophobicContact CG2-CG2 4.28Å; I171-F224 HydrophobicContact CG2-CE2 4.29Å; I171-F224 HydrophobicContact CG2-CZ 4.09Å; I171-L240 HydrophobicContact CD1-CD2 4.11Å
172M95.2Very high92.9Very high0 Ų030.4 Ų30.40%015%0.153CC..EExtended strand (participates in β ladder)trans-127.7132.6-175.3-60.5173.2-78.700110.9F48 V145 V164 L165 T167 W170 H180 I181F48-M172 HydrophobicContact CD1-SD 4.14Å; F48-M172 HydrophobicContact CE1-SD 3.47Å; F48-M172 WeakPolarHBondContact CE1-SD 3.33Å; F48-M172 HydrophobicContact CZ-SD 3.91Å; V145-M172 HydrophobicContact CG1-CE 4.47Å; V145-M172 HydrophobicContact CG1-SD 3.54Å; V145-M172 VanDerWaalsContact CG1-SD 3.54Å; V164-M172 WeakPolarHBondContact CA-O 3.47Å; L165-M172 HydrophobicContact CB-CB 4.19Å; L165-M172 HydrophobicContact CB-CE 4.03Å; L165-M172 PolarHBondContact N-O 3.2Å; L165-M172 PolarHBondContact O-N 3.35Å; T167-M172 HydrophobicContact CG2-CE 3.77Å; W170-M172 HydrophobicContact CB-CE 4.19Å; W170-M172 HydrophobicContact CB-CG 4.12Å; W170-M172 HydrophobicContact CB-SD 4.34Å; M172-H180 CarbonylContact C-O 3.57Å; M172-H180 VanDerWaalsContact CA-O 3.25Å; M172-H180 WeakPolarHBondContact CA-O 3.21Å; M172-I181 HydrophobicContact CG-CG1 4.21Å; M172-I181 HydrophobicContact CG-CG2 4.28Å
173K95.4Very high93.3Very high53 Ų5328.9 Ų28.923%0.2314%0.137CC..EExtended strand (participates in β ladder)trans-119.5115.5170.3178.9-172.7178.7-176.50109.5V164 T175 V179 H180 F224 D225 I226V164-K173 HydrophobicContact CG2-CG 4.5Å; K173-T175 HydrophobicContact CD-CG2 4.36Å; K173-T175 HydrophobicContact CG-CG2 4.25Å; K173-V179 WeakPolarHBondContact O-CA 3.38Å; K173-H180 HydrophobicContact CB-CB 4.2Å; K173-H180 PolarHBondContact N-O 3.17Å; K173-H180 PolarHBondContact O-N 3.08Å; K173-F224 HydrophobicContact CB-CD2 3.89Å; K173-F224 HydrophobicContact CB-CE2 3.82Å; K173-F224 HydrophobicContact CD-CD2 3.97Å; K173-D225 VanDerWaalsContact CD-O 3.23Å; K173-D225 WeakPolarHBondContact CD-O 3.3Å; K173-D225 VanDerWaalsContact CE-O 3.25Å; K173-D225 WeakPolarHBondContact CE-O 3.15Å; K173-D225 PolarHBondContact NZ-O 3.32Å; K173-I226 HydrophobicContact CB-CG2 4.35Å; K173-I226 HydrophobicContact CD-CG2 4.46Å
174V94.3Very high93.4Very high2 Ų227.2 Ų27.21%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-88.9128.5175.9-178.30000108.6F48 A162 R163 L165 V179F48-V174 HydrophobicContact CE2-CG2 4.17Å; F48-V174 HydrophobicContact CZ-CG2 3.85Å; A162-V174 VanDerWaalsContact CA-O 3.3Å; A162-V174 WeakPolarHBondContact CA-O 3.09Å; R163-V174 HydrophobicContact CG-CB 4.21Å; R163-V174 HydrophobicContact CG-CG2 4.33Å; R163-V174 PolarHBondContact N-O 3.21Å; R163-V174 PolarHBondContact O-N 2.92Å; L165-V174 HydrophobicContact CD1-CG2 4.19Å; V174-V179 HydrophobicContact CG2-CG1 4.4Å
175T91.8Very high93.2Very high34 Ų3434.2 Ų34.221%0.20916%0.163CC..  trans-126.8175.2171.171.50000109.6R55 G161 K173 Y177 Y178R55-T175 PolarHBondContact NH2-O 2.79Å; G161-T175 CarbonylContact O-C 3.49Å; K173-T175 HydrophobicContact CD-CG2 4.36Å; K173-T175 HydrophobicContact CG-CG2 4.25Å; T175-Y177 VanDerWaalsContact C-N 3.3Å; T175-Y177 PolarHBondContact O-N 3.15Å; T175-Y178 WeakPolarHBondContact CA-O 3.48Å; T175-Y178 PolarHBondContact N-O 3.2Å; T175-Y178 WeakPolarHBondContact OG1-CA 3.2Å; T175-Y178 PolarHBondContact OG1-N 3.3Å; T175-Y178 PolarHBondContact OG1-O 3.19Å
176T89.8Confident93Very high49 Ų4936.4 Ų36.430%0.30118%0.175SC..SBendtrans-54.2-43.5179.9-510000112.9T59T59-T176 HydrophobicContact CG2-CG2 3.79Å
177Y90.3Very high92.8Very high92 Ų9236.5 Ų36.536%0.36118%0.175SC..SBendtrans-114.3-17.2-173.4-57.6-73.7000114.6T56 T59 H63 T175T56-Y177 WeakPolarHBondContact CG2-O 3.48Å; T59-Y177 HydrophobicContact CG2-CD1 4.22Å; T59-Y177 HydrophobicContact CG2-CE1 3.88Å; H63-Y177 AromaticContact ND1-CE1 3.75Å; H63-Y177 AromaticContact ND1-CZ 3.53Å; H63-Y177 PolarHBondContact ND1-OH 3.32Å; T175-Y177 VanDerWaalsContact C-N 3.3Å; T175-Y177 PolarHBondContact O-N 3.15Å
178Y90.7Very high92.6Very high134 Ų13440 Ų4053%0.52519%0.191SC..  trans-134151.2-174.5-67.5-85.1000111.7P123 T175P123-Y178 HydrophobicContact CB-CD1 4.47Å; P123-Y178 HydrophobicContact CB-CE1 4.19Å; T175-Y178 WeakPolarHBondContact CA-O 3.48Å; T175-Y178 PolarHBondContact N-O 3.2Å; T175-Y178 WeakPolarHBondContact OG1-CA 3.2Å; T175-Y178 PolarHBondContact OG1-N 3.3Å; T175-Y178 PolarHBondContact OG1-O 3.19Å
179V94.4Very high92.6Very high5 Ų537.9 Ų37.93%0.0318%0.18CC..EExtended strand (participates in β ladder)trans-118.5117165.4-175.80000106.9F48 H52 I124 K173 V174 I181F48-V179 HydrophobicContact CE1-CG1 4.36Å; F48-V179 HydrophobicContact CZ-CG1 4.43Å; H52-V179 HydrophobicContact CB-CG2 3.81Å; I124-V179 HydrophobicContact CD1-CB 4.17Å; I124-V179 HydrophobicContact CD1-CG2 3.75Å; I124-V179 HydrophobicContact CG1-CB 4.22Å; I124-V179 HydrophobicContact CG1-CG2 4.34Å; K173-V179 WeakPolarHBondContact O-CA 3.38Å; V174-V179 HydrophobicContact CG2-CG1 4.4Å; V179-I181 HydrophobicContact CG1-CD1 4.08Å; V179-I181 HydrophobicContact CG1-CG1 3.84Å
180H94.3Very high92.3Very high48 Ų4837.3 Ų37.322%0.22218%0.176CC..EExtended strand (participates in β ladder)trans-88.1134.5172.5-57.8-92.9000108.4M172 K173 F224M172-H180 CarbonylContact C-O 3.57Å; M172-H180 VanDerWaalsContact CA-O 3.25Å; M172-H180 WeakPolarHBondContact CA-O 3.21Å; K173-H180 HydrophobicContact CB-CB 4.2Å; K173-H180 PolarHBondContact N-O 3.17Å; K173-H180 PolarHBondContact O-N 3.08Å; H180-F224 HydrophobicContact CB-CB 4.36Å; H180-F224 HydrophobicContact CB-CD1 3.64Å; H180-F224 HydrophobicContact CB-CD2 4.04Å; H180-F224 HydrophobicContact CB-CE1 3.82Å; H180-F224 HydrophobicContact CB-CE2 4.21Å; H180-F224 HydrophobicContact CB-CG 3.75Å; H180-F224 HydrophobicContact CB-CZ 4.1Å; H180-F224 AromaticContact CG-CG 3.95Å
181I94.8Very high92Very high0 Ų036.8 Ų36.80%017%0.174CC..EExtended strand (participates in β ladder)trans-136.4130.6-177.2-55.3179.4000107.2I49 N127 L128 H131 W170 I171 M172 V179I49-I181 HydrophobicContact CD1-CD1 3.72Å; N127-I181 PolarHBondContact OD1-O 2.91Å; L128-I181 HydrophobicContact CD2-CD1 3.54Å; L128-I181 HydrophobicContact CD2-CG2 4.34Å; L128-I181 HydrophobicContact CG-CD1 4.18Å; H131-I181 PolarHBondContact NE2-O 3.42Å; W170-I181 HydrophobicContact CD2-CG2 4.37Å; W170-I181 HydrophobicContact CE3-CG2 3.52Å; W170-I181 HydrophobicContact CZ3-CG2 3.99Å; I171-I181 WeakPolarHBondContact O-CA 3.45Å; M172-I181 HydrophobicContact CG-CG1 4.21Å; M172-I181 HydrophobicContact CG-CG2 4.28Å; V179-I181 HydrophobicContact CG1-CD1 4.08Å; V179-I181 HydrophobicContact CG1-CG1 3.84Å
182A94.1Very high91.5Very high0 Ų039.6 Ų39.60%019%0.192CC..EExtended strand (participates in β ladder)trans-140.5147.4173.700000110.8I171 T187 V221 F224I171-A182 PolarHBondContact N-O 3.04Å; I171-A182 PolarHBondContact O-N 3Å; A182-T187 HydrophobicContact CB-CG2 3.52Å; A182-V221 HydrophobicContact CB-CG1 4.18Å; A182-F224 HydrophobicContact CB-CE1 4Å; A182-F224 HydrophobicContact CB-CZ 4.31Å
183L92.9Very high90.9Very high26 Ų2642.1 Ų42.114%0.13621%0.205CC..EExtended strand (participates in β ladder)trans-73.1129.1172.4-79.3168.2000109.9H131 W170 Q185 D186 T187H131-L183 HydrophobicContact CB-CD1 4.35Å; W170-L183 HydrophobicContact CD2-CD2 4.23Å; W170-L183 HydrophobicContact CE3-CD2 3.83Å; W170-L183 HydrophobicContact CE3-CG 4.16Å; W170-L183 HydrophobicContact CH2-CD2 3.38Å; W170-L183 HydrophobicContact CH2-CG 3.86Å; W170-L183 HydrophobicContact CZ2-CD2 3.81Å; W170-L183 HydrophobicContact CZ3-CD2 3.41Å; W170-L183 VanDerWaalsContact CZ3-CD2 3.41Å; W170-L183 HydrophobicContact CZ3-CG 3.55Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 HydrophobicContact CB-CG 4.3Å; L183-Q185 PolarHBondContact O-N 2.83Å; L183-D186 HydrophobicContact CB-CB 4.11Å; L183-D186 WeakPolarHBondContact CD1-OD2 3.47Å; L183-D186 PolarHBondContact O-N 3.31Å; L183-D186 VanDerWaalsContact O-N 3.08Å; L183-T187 WeakPolarHBondContact O-CG2 3.4Å; L183-T187 PolarHBondContact O-N 3.32Å; L183-T187 PolarHBondContact O-OG1 2.98Å
184Q92.4Very high90.4Very high4 Ų441.2 Ų41.22%0.01921%0.205CC..G310 helixtrans-60.1-44.3-176.4-158.2-169.895.500111.3T167 T169 I171 D186 T187 K239 L240 H241T167-Q184 PolarHBondContact O-NE2 2.8Å; T169-Q184 WeakPolarHBondContact O-CB 3.34Å; T169-Q184 PolarHBondContact O-N 3.12Å; I171-Q184 HydrophobicContact CD1-CG 4.05Å; I171-Q184 HydrophobicContact CG1-CB 4.3Å; I171-Q184 HydrophobicContact CG1-CG 4.06Å; Q184-D186 PolarHBondContact O-N 3.2Å; Q184-T187 WeakPolarHBondContact CA-OG1 3.28Å; Q184-T187 PolarHBondContact O-N 2.79Å; Q184-T187 VanDerWaalsContact O-N 3.11Å; Q184-T187 PolarHBondContact O-OG1 3.21Å; Q184-K239 PolarHBondContact NE2-O 3.18Å; Q184-L240 HydrophobicContact CG-CD2 4Å; Q184-H241 PolarHBondContact OE1-CD2 3.05Å
185Q90Very high89.7Confident156 Ų15648 Ų4873%0.72923%0.231SC*.G310 helixtrans-60.3-27.6177.365.4177.815.400113.9L183L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 HydrophobicContact CB-CG 4.3Å; L183-Q185 PolarHBondContact O-N 2.83Å
186D90.3Very high88.9Confident47 Ų4751.2 Ų51.225%0.25124%0.243SC..G310 helixtrans-98.611.8-177.7-62.6-24.9000111.7L183 Q184 S216 I217L183-D186 HydrophobicContact CB-CB 4.11Å; L183-D186 WeakPolarHBondContact CD1-OD2 3.47Å; L183-D186 PolarHBondContact O-N 3.31Å; L183-D186 VanDerWaalsContact O-N 3.08Å; Q184-D186 PolarHBondContact O-N 3.2Å; D186-S216 CarbonylContact O-C 3.5Å; D186-S216 WeakPolarHBondContact O-CA 3.4Å; D186-S216 PolarHBondContact O-OG 3.38Å; D186-I217 PolarHBondContact O-N 3.09Å
187T90.7Very high88Confident2 Ų252.2 Ų52.21%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-120147.5-174.957.60000113.7I171 A182 L183 Q184 V214 A215I171-T187 WeakPolarHBondContact CD1-OG1 3.16Å; A182-T187 HydrophobicContact CB-CG2 3.52Å; L183-T187 WeakPolarHBondContact O-CG2 3.4Å; L183-T187 PolarHBondContact O-N 3.32Å; L183-T187 PolarHBondContact O-OG1 2.98Å; Q184-T187 WeakPolarHBondContact CA-OG1 3.28Å; Q184-T187 PolarHBondContact O-N 2.79Å; Q184-T187 VanDerWaalsContact O-N 3.11Å; Q184-T187 PolarHBondContact O-OG1 3.21Å; T187-V214 HydrophobicContact CG2-CG1 3.78Å; T187-A215 CarbonylContact C-O 3.45Å; T187-A215 VanDerWaalsContact CA-O 3.27Å; T187-A215 WeakPolarHBondContact CA-O 3.48Å
188H90Very high86.3Confident76 Ų7655.9 Ų55.935%0.35227%0.265SS..EExtended strand (participates in β ladder)trans-115.1126.4166-60.8-52.3000108.7A215H188-A215 PolarHBondContact N-O 3.33Å; H188-A215 PolarHBondContact O-N 3.37Å
189L90.4Very high84.7Confident3 Ų356.8 Ų56.82%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-99.3128174.2-6988.6000109.1I171 L212 R213 V214 I226 L240 I244 R245I171-L189 HydrophobicContact CD1-CD1 3.73Å; I171-L189 HydrophobicContact CD1-CD2 4.35Å; I171-L189 HydrophobicContact CD1-CG 4.39Å; L189-L212 HydrophobicContact CD2-CD2 4.47Å; L189-R213 WeakPolarHBondContact CA-O 3.45Å; L189-V214 HydrophobicContact CD2-CG2 4.33Å; L189-V214 HydrophobicContact CG-CG2 4.32Å; L189-I226 HydrophobicContact CD2-CD1 4.11Å; L189-L240 HydrophobicContact CD1-CD1 4.35Å; L189-L240 HydrophobicContact CD1-CD2 4.04Å; L189-L240 HydrophobicContact CD2-CD1 3.79Å; L189-L240 HydrophobicContact CD2-CD2 4.22Å; L189-I244 HydrophobicContact CB-CG1 4.43Å; L189-I244 HydrophobicContact CB-CG2 4.26Å; L189-R245 PolarHBondContact O-N 2.78Å
190T86.3Confident82.8Confident42 Ų4258.1 Ų58.126%0.25829%0.288SS..EExtended strand (participates in β ladder)trans-125.5125.1176-55.70000109.7T192 L212 R213 R245T190-T192 HydrophobicContact CG2-CG2 4.38Å; T190-T192 PolarHBondContact O-N 3.46Å; T190-L212 CarbonylContact O-C 3.6Å; T190-L212 VanDerWaalsContact O-CA 3.27Å; T190-L212 WeakPolarHBondContact O-CA 3.37Å; T190-R213 PolarHBondContact N-O 3.45Å; T190-R213 PolarHBondContact O-N 3.43Å; T190-R245 CarbonylContact C-O 3.55Å; T190-R245 WeakPolarHBondContact CA-O 3.29Å; T190-R245 HydrophobicContact CG2-CB 4.27Å
191V87.9Confident81.1Confident0 Ų061.5 Ų61.50%031%0.314CS..EExtended strand (participates in β ladder)trans-71.8113.3169.4-163.60000108.2L212 Y233 I244 R245 N246 A247 V250 I252V191-L212 HydrophobicContact CB-CG 4.46Å; V191-L212 HydrophobicContact CG1-CG 4.46Å; V191-L212 HydrophobicContact CG2-CD2 4.18Å; V191-L212 HydrophobicContact CG2-CG 4.03Å; V191-Y233 HydrophobicContact CG2-CE2 4.11Å; V191-I244 HydrophobicContact CG2-CG2 3.59Å; V191-R245 PolarHBondContact N-O 2.85Å; V191-N246 WeakPolarHBondContact CG2-OD1 3.07Å; V191-A247 VanDerWaalsContact O-CB 3.22Å; V191-A247 WeakPolarHBondContact O-CB 3.25Å; V191-A247 PolarHBondContact O-N 3.21Å; V191-V250 HydrophobicContact CG1-CG1 3.7Å; V191-I252 HydrophobicContact CG1-CD1 4.33Å; V191-I252 HydrophobicContact CG2-CD1 4.03Å
192T86.3Confident79.3Confident59 Ų5967.8 Ų67.836%0.36235%0.347SS..EExtended strand (participates in β ladder)trans-102.3-30.7-173.852.70000113.4T190 T211 R213T190-T192 HydrophobicContact CG2-CG2 4.38Å; T190-T192 PolarHBondContact O-N 3.46Å; T192-T211 PolarHBondContact N-O 3.29Å; T192-T211 PolarHBondContact OG1-O 2.81Å; T192-R213 HydrophobicContact CG2-CB 3.72Å
193D82.6Confident77.6Confident53 Ų5369.5 Ų69.528%0.28336%0.359SS..EExtended strand (participates in β ladder)trans-148.5150.9-176.1-17023.9000110.7R195 T211D193-R195 WeakPolarHBondContact OD2-CG 3.19Å; D193-R195 IonicContact OD2-CZ 3.72Å; D193-R195 IonicContact OD2-NE 3.07Å; D193-R195 PolarHBondContact OD2-NE 2.84Å; D193-R195 IonicContact OD2-NH2 3.23Å; D193-T211 PolarHBondContact N-O 3.39Å; D193-T211 PolarHBondContact O-N 2.94Å
194S83.3Confident75.9Confident33 Ų3372.8 Ų72.823%0.23139%0.39CS..EExtended strand (participates in β ladder)trans-136.3120171.9680000110Q208S194-Q208 VanDerWaalsContact CB-NE2 3.34Å; S194-Q208 PolarHBondContact OG-NE2 3.33Å
195R80.2Confident74.3Confident145 Ų14574.8 Ų74.855%0.54740%0.403SS..EExtended strand (participates in β ladder)trans-118.7119.9-178.1-64.1-170.8-175-161.4-3.4111.3D193 H197 I209D193-R195 WeakPolarHBondContact OD2-CG 3.19Å; D193-R195 IonicContact OD2-CZ 3.72Å; D193-R195 IonicContact OD2-NE 3.07Å; D193-R195 PolarHBondContact OD2-NE 2.84Å; D193-R195 IonicContact OD2-NH2 3.23Å; R195-H197 PolarHBondContact O-ND1 2.92Å; R195-I209 PolarHBondContact N-O 2.94Å; R195-I209 PolarHBondContact O-N 3.37Å
196Q74.4Confident73.2Confident101 Ų10169.7 Ų69.747%0.47238%0.383SS..EExtended strand (participates in β ladder)trans-82.7130.9171.6-66.1-177.93.100110.1Q208 L259Q196-Q208 HydrophobicContact CG-CB 4.25Å; Q196-Q208 HydrophobicContact CG-CG 4.11Å; Q196-L259 VanDerWaalsContact NE2-CD1 3.33Å
197H71.4Confident72.6Confident70 Ų7068.2 Ų68.232%0.32438%0.376SS..EExtended strand (participates in β ladder)trans-113.8115173.3-64.672.6000107.5R195 L199 P206 V207R195-H197 PolarHBondContact O-ND1 2.92Å; H197-L199 PolarHBondContact O-N 3.43Å; H197-P206 WeakPolarHBondContact O-CA 3.08Å; H197-V207 PolarHBondContact N-O 3.28Å; H197-V207 PolarHBondContact O-N 3.46Å
198Q54.6Low72.1Confident169 Ų16968.6 Ų68.679%0.7938%0.377SS*.SBendtrans-68.6-22.9-179.9-68-178-4.400112.6
199L56.8Low72Confident154 Ų15466.9 Ų66.981%0.80637%0.371SS*.  trans-130.5114.7177.1-66.4167.2000108.3H197H197-L199 PolarHBondContact O-N 3.43Å
200S55.7Low71.9Confident33 Ų3366.8 Ų66.823%0.23137%0.37CS..BIsolated β-bridgetrans-104.4137.9167.8178.70000108.4D202 S203S200-D202 PolarHBondContact O-N 3.03Å; S200-D202 VanDerWaalsContact O-N 3.13Å; S200-D202 PolarHBondContact OG-N 3.28Å; S200-S203 WeakPolarHBondContact CB-OG 3.39Å; S200-S203 PolarHBondContact O-N 2.81Å
201P57.2Low72.1Confident119 Ų11965.6 Ų65.677%0.77336%0.363SS*.THydrogen-bonded Turntrans-56.3-28.1174.7-22.832.6000113.2
202D58.6Low72.3Confident132 Ų13265.6 Ų65.671%0.70636%0.363SS*.THydrogen-bonded Turntrans-100-9-172.7-60.5-30.1000113.2N24 S200N24-D202 PolarHBondContact ND2-OD1 3.01Å; S200-D202 PolarHBondContact O-N 3.03Å; S200-D202 VanDerWaalsContact O-N 3.13Å; S200-D202 PolarHBondContact OG-N 3.28Å
203S57.4Low72.7Confident36 Ų3668.8 Ų68.825%0.25237%0.368SS..BIsolated β-bridgetrans-151.2134.2179.462.80000112.7S200 T205 V207S200-S203 WeakPolarHBondContact CB-OG 3.39Å; S200-S203 PolarHBondContact O-N 2.81Å; S203-T205 PolarHBondContact O-N 2.89Å; S203-T205 VanDerWaalsContact O-N 3.16Å; S203-T205 PolarHBondContact OG-O 3.2Å; S203-V207 WeakPolarHBondContact OG-CG2 3.44Å
204A57.6Low73.2Confident95 Ų9566.3 Ų66.379%0.78536%0.355SS*.SBendtrans-68.5-6.6172.100000113.3
205T59.7Low73.7Confident45 Ų4566.3 Ų66.328%0.27636%0.357SS..SBendtrans-94.3146.3179.658.80000111.3S203 V207 P336S203-T205 PolarHBondContact O-N 2.89Å; S203-T205 VanDerWaalsContact O-N 3.16Å; S203-T205 PolarHBondContact OG-O 3.2Å; T205-V207 PolarHBondContact O-N 2.82Å; T205-P336 HydrophobicContact CG2-CG 3.46Å; T205-P336 VanDerWaalsContact CG2-CG 3.46Å
206P65.5Low74.3Confident50 Ų5060.5 Ų60.533%0.32534%0.339SS..  trans-61.9127.5174.324.1-32000110.3H197 M256 L259H197-P206 WeakPolarHBondContact O-CA 3.08Å; P206-M256 HydrophobicContact CG-CE 4.2Å; P206-L259 HydrophobicContact CB-CD2 4.36Å; P206-L259 HydrophobicContact CG-CD2 3.89Å
207V77.4Confident75Confident15 Ų1560.9 Ų60.99%0.09134%0.343CS..EExtended strand (participates in β ladder)trans-109.2130.4-179177.80000109.8H197 S203 T205 I209 N229H197-V207 PolarHBondContact N-O 3.28Å; H197-V207 PolarHBondContact O-N 3.46Å; S203-V207 WeakPolarHBondContact OG-CG2 3.44Å; T205-V207 PolarHBondContact O-N 2.82Å; V207-I209 HydrophobicContact CG1-CG1 4.2Å; V207-N229 HydrophobicContact CG1-CB 4.48Å; V207-N229 VanDerWaalsContact CG1-ND2 3.3Å; V207-N229 WeakPolarHBondContact CG1-ND2 3.34Å
208Q81.8Confident75.8Confident10 Ų1059.5 Ų59.55%0.04734%0.338CS..EExtended strand (participates in β ladder)trans-94.6120.9169.7-171.3-175.130.100109.6S194 Q196 L210 N229 S230 V251 H253S194-Q208 VanDerWaalsContact CB-NE2 3.34Å; S194-Q208 PolarHBondContact OG-NE2 3.33Å; Q196-Q208 HydrophobicContact CG-CB 4.25Å; Q196-Q208 HydrophobicContact CG-CG 4.11Å; Q208-L210 HydrophobicContact CG-CD2 4.32Å; Q208-N229 PolarHBondContact O-OD1 3.25Å; Q208-S230 PolarHBondContact O-N 3.09Å; Q208-V251 PolarHBondContact NE2-O 3.5Å; Q208-H253 PolarHBondContact OE1-CD2 3.09Å; Q208-H253 PolarHBondContact OE1-O 3.3Å
209I87.4Confident77.3Confident41 Ų4157.3 Ų57.321%0.2134%0.338CS..EExtended strand (participates in β ladder)trans-100.7121.4175-59.3177.9000108.4R195 V207 R227 L228R195-I209 PolarHBondContact N-O 2.94Å; R195-I209 PolarHBondContact O-N 3.37Å; V207-I209 HydrophobicContact CG1-CG1 4.2Å; I209-R227 HydrophobicContact CG2-CB 4.15Å; I209-L228 WeakPolarHBondContact CA-O 3.4Å
210L88.4Confident78.7Confident0 Ų054.1 Ų54.10%033%0.329CS..EExtended strand (participates in β ladder)trans-89.5140.3174.3-56178.6000109.7Q208 L212 R227 L228 Y233 I252Q208-L210 HydrophobicContact CG-CD2 4.32Å; L210-L212 HydrophobicContact CB-CD1 3.79Å; L210-R227 VanDerWaalsContact O-CA 3.27Å; L210-R227 WeakPolarHBondContact O-CA 3.35Å; L210-L228 PolarHBondContact N-O 3.13Å; L210-L228 PolarHBondContact O-N 2.98Å; L210-L228 VanDerWaalsContact O-N 3.16Å; L210-Y233 HydrophobicContact CD1-CD2 3.57Å; L210-Y233 HydrophobicContact CD1-CE2 4.32Å; L210-Y233 HydrophobicContact CD1-CG 3.96Å; L210-I252 HydrophobicContact CD1-CD1 4.43Å; L210-I252 HydrophobicContact CD1-CG1 4.34Å; L210-I252 HydrophobicContact CD1-CG2 3.78Å; L210-I252 HydrophobicContact CD2-CG1 4.1Å; L210-I252 HydrophobicContact CD2-CG2 4.31Å
211T90.9Very high80.3Confident18 Ų1852.9 Ų52.911%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-111.2120.6169-53.60000108.6T192 D193 D225 I226 R227T192-T211 PolarHBondContact N-O 3.29Å; T192-T211 PolarHBondContact OG1-O 2.81Å; D193-T211 PolarHBondContact N-O 3.39Å; D193-T211 PolarHBondContact O-N 2.94Å; T211-D225 HydrophobicContact CG2-CB 3.94Å; T211-I226 WeakPolarHBondContact CA-O 3.38Å; T211-R227 HydrophobicContact CG2-CG 4.27Å
212L92.3Very high81.9Confident0 Ų055.3 Ų55.30%032%0.318CS..EExtended strand (participates in β ladder)trans-114.9131.3178.3-60.273.6000109.1L189 T190 V191 L210 D225 I226 L228 Y233 L236 I244L189-L212 HydrophobicContact CD2-CD2 4.47Å; T190-L212 CarbonylContact O-C 3.6Å; T190-L212 VanDerWaalsContact O-CA 3.27Å; T190-L212 WeakPolarHBondContact O-CA 3.37Å; V191-L212 HydrophobicContact CB-CG 4.46Å; V191-L212 HydrophobicContact CG1-CG 4.46Å; V191-L212 HydrophobicContact CG2-CD2 4.18Å; V191-L212 HydrophobicContact CG2-CG 4.03Å; L210-L212 HydrophobicContact CB-CD1 3.79Å; L212-D225 CarbonylContact O-C 3.45Å; L212-D225 VanDerWaalsContact O-CA 3.29Å; L212-D225 WeakPolarHBondContact O-CA 3.3Å; L212-I226 HydrophobicContact CB-CD1 4.22Å; L212-I226 HydrophobicContact CB-CG1 3.72Å; L212-I226 PolarHBondContact N-O 3.47Å; L212-I226 WeakPolarHBondContact O-CG1 3.49Å; L212-I226 PolarHBondContact O-N 3.18Å; L212-L228 HydrophobicContact CD1-CD2 3.38Å; L212-L228 HydrophobicContact CD1-CG 4.33Å; L212-L228 HydrophobicContact CD2-CD2 4.48Å; L212-Y233 HydrophobicContact CD2-CE2 4.44Å; L212-L236 HydrophobicContact CD2-CD2 3.82Å; L212-I244 HydrophobicContact CD2-CD1 4.24Å; L212-I244 HydrophobicContact CD2-CG2 4.09Å
213R93.4Very high83.5Confident125 Ų12552.2 Ų52.247%0.47231%0.305SS..EExtended strand (participates in β ladder)trans-89.4123.4174-177164.7-178.4146.2-1.8109.9L189 T190 T192 D225L189-R213 WeakPolarHBondContact CA-O 3.45Å; T190-R213 PolarHBondContact N-O 3.45Å; T190-R213 PolarHBondContact O-N 3.43Å; T192-R213 HydrophobicContact CG2-CB 3.72Å; R213-D225 WeakPolarHBondContact CA-OD1 3.4Å; R213-D225 WeakPolarHBondContact CB-OD1 3.28Å; R213-D225 WeakPolarHBondContact CG-OD1 3.43Å
214V94.1Very high85.3Confident2 Ų251 Ų511%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-95.8110.7172.3-173.30000107.7I171 T187 L189 P223 F224 I226I171-V214 HydrophobicContact CD1-CG1 4.26Å; I171-V214 HydrophobicContact CG2-CG1 4.37Å; I171-V214 HydrophobicContact CG2-CG2 4.28Å; T187-V214 HydrophobicContact CG2-CG1 3.78Å; L189-V214 HydrophobicContact CD2-CG2 4.33Å; L189-V214 HydrophobicContact CG-CG2 4.32Å; V214-P223 VanDerWaalsContact O-CA 3.28Å; V214-P223 WeakPolarHBondContact O-CA 3.43Å; V214-F224 HydrophobicContact CB-CD1 4.45Å; V214-F224 HydrophobicContact CB-CD2 4.21Å; V214-F224 HydrophobicContact CB-CE1 4.15Å; V214-F224 HydrophobicContact CB-CE2 3.89Å; V214-F224 HydrophobicContact CB-CG 4.49Å; V214-F224 HydrophobicContact CB-CZ 3.86Å; V214-F224 WeakPolarHBondContact CB-O 3.27Å; V214-F224 HydrophobicContact CG1-CE1 4.02Å; V214-F224 HydrophobicContact CG1-CE2 4.27Å; V214-F224 HydrophobicContact CG1-CZ 3.76Å; V214-F224 HydrophobicContact CG2-CD2 4.28Å; V214-F224 HydrophobicContact CG2-CE2 3.81Å; V214-F224 HydrophobicContact CG2-CZ 4.17Å; V214-F224 PolarHBondContact N-O 3.41Å; V214-F224 PolarHBondContact O-N 2.97Å; V214-F224 VanDerWaalsContact O-N 3.1Å; V214-I226 HydrophobicContact CG2-CD1 4.17Å; V214-I226 HydrophobicContact CG2-CG1 4.17Å; V214-I226 HydrophobicContact CG2-CG2 4.02Å
215A93.1Very high87Confident33 Ų3349.6 Ų49.627%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-113.2128.217600000109.5T187 H188T187-A215 CarbonylContact C-O 3.45Å; T187-A215 VanDerWaalsContact CA-O 3.27Å; T187-A215 WeakPolarHBondContact CA-O 3.48Å; H188-A215 PolarHBondContact N-O 3.33Å; H188-A215 PolarHBondContact O-N 3.37Å
216S91.8Very high88.6Confident23 Ų2347.5 Ų47.516%0.16126%0.262CS..EExtended strand (participates in β ladder)trans-92.9149.7175-170.70000111.5D186 N218D186-S216 CarbonylContact O-C 3.5Å; D186-S216 WeakPolarHBondContact O-CA 3.4Å; D186-S216 PolarHBondContact O-OG 3.38Å; S216-N218 VanDerWaalsContact C-N 3.27Å; S216-N218 PolarHBondContact OG-N 3.33Å
217I89.6Confident89.8Confident109 Ų10951.6 Ų51.656%0.55927%0.271SS*.SBendtrans-68-30.8168.8-58.3167.9000110.2D186 P219D186-I217 PolarHBondContact O-N 3.09Å; I217-P219 WeakPolarHBondContact O-CD 3.43Å
218N88.4Confident90.4Very high41 Ų4151.1 Ų51.122%0.21927%0.268CS..SBendtrans-73.4115.4176.3-176.1-14.9000110.3A130 S216 S220 V221A130-N218 PolarHBondContact O-ND2 3.22Å; S216-N218 VanDerWaalsContact C-N 3.27Å; S216-N218 PolarHBondContact OG-N 3.33Å; N218-S220 PolarHBondContact O-N 2.96Å; N218-S220 VanDerWaalsContact O-N 3.12Å; N218-S220 VanDerWaalsContact OD1-CB 3.22Å; N218-S220 WeakPolarHBondContact OD1-CB 3.43Å; N218-S220 PolarHBondContact OD1-N 3.13Å; N218-S220 PolarHBondContact OD1-OG 3.2Å; N218-S220 VanDerWaalsContact OD1-OG 3.1Å; N218-V221 HydrophobicContact CB-CG2 4.1Å; N218-V221 PolarHBondContact O-N 3Å
219P86.4Confident90.6Very high123 Ų12352.7 Ų52.780%0.79928%0.276SS*.THydrogen-bonded Turntrans-66.6-17.1-176.628.6-36.1000113.3I217 V221I217-P219 WeakPolarHBondContact O-CD 3.43Å; P219-V221 PolarHBondContact O-N 3.26Å
220S86.9Confident90.5Very high87 Ų8751.1 Ų51.161%0.60827%0.269SS*.THydrogen-bonded Turntrans-70.9-18.7175.7-49.50000112.4N218N218-S220 PolarHBondContact O-N 2.96Å; N218-S220 VanDerWaalsContact O-N 3.12Å; N218-S220 VanDerWaalsContact OD1-CB 3.22Å; N218-S220 WeakPolarHBondContact OD1-CB 3.43Å; N218-S220 PolarHBondContact OD1-N 3.13Å; N218-S220 PolarHBondContact OD1-OG 3.2Å; N218-S220 VanDerWaalsContact OD1-OG 3.1Å
221V89.2Confident90.2Very high6 Ų655.4 Ų55.44%0.03630%0.296CS..SBendtrans-99.4109.4-177.6-177.30000108.9A130 H131 A182 N218 P219A130-V221 HydrophobicContact CB-CG2 4.1Å; H131-V221 WeakPolarHBondContact CE1-CG2 3.46Å; A182-V221 HydrophobicContact CB-CG1 4.18Å; N218-V221 HydrophobicContact CB-CG2 4.1Å; N218-V221 PolarHBondContact O-N 3Å; P219-V221 PolarHBondContact O-N 3.26Å
222K90Very high90Very high171 Ų17157.2 Ų57.274%0.74330%0.303SS*.  trans-65.5132.9178.1-68.3-176.3179.5-178.40110.5
223P92.9Very high89.7Confident67 Ų6757.7 Ų57.744%0.43531%0.305SS..  trans-57.6147.6172.7-23.332.7000111.9V214V214-P223 VanDerWaalsContact O-CA 3.28Å; V214-P223 WeakPolarHBondContact O-CA 3.43Å
224F94.2Very high89.2Confident11 Ų1153.9 Ų53.95%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-145.6153177.261-88.5000111.1I171 K173 H180 A182 V214 I226I171-F224 HydrophobicContact CG2-CE2 4.29Å; I171-F224 HydrophobicContact CG2-CZ 4.09Å; K173-F224 HydrophobicContact CB-CD2 3.89Å; K173-F224 HydrophobicContact CB-CE2 3.82Å; K173-F224 HydrophobicContact CD-CD2 3.97Å; H180-F224 HydrophobicContact CB-CB 4.36Å; H180-F224 HydrophobicContact CB-CD1 3.64Å; H180-F224 HydrophobicContact CB-CD2 4.04Å; H180-F224 HydrophobicContact CB-CE1 3.82Å; H180-F224 HydrophobicContact CB-CE2 4.21Å; H180-F224 HydrophobicContact CB-CG 3.75Å; H180-F224 HydrophobicContact CB-CZ 4.1Å; H180-F224 AromaticContact CG-CG 3.95Å; A182-F224 HydrophobicContact CB-CE1 4Å; A182-F224 HydrophobicContact CB-CZ 4.31Å; V214-F224 HydrophobicContact CB-CD1 4.45Å; V214-F224 HydrophobicContact CB-CD2 4.21Å; V214-F224 HydrophobicContact CB-CE1 4.15Å; V214-F224 HydrophobicContact CB-CE2 3.89Å; V214-F224 HydrophobicContact CB-CG 4.49Å; V214-F224 HydrophobicContact CB-CZ 3.86Å; V214-F224 WeakPolarHBondContact CB-O 3.27Å; V214-F224 HydrophobicContact CG1-CE1 4.02Å; V214-F224 HydrophobicContact CG1-CE2 4.27Å; V214-F224 HydrophobicContact CG1-CZ 3.76Å; V214-F224 HydrophobicContact CG2-CD2 4.28Å; V214-F224 HydrophobicContact CG2-CE2 3.81Å; V214-F224 HydrophobicContact CG2-CZ 4.17Å; V214-F224 PolarHBondContact N-O 3.41Å; V214-F224 PolarHBondContact O-N 2.97Å; V214-F224 VanDerWaalsContact O-N 3.1Å; F224-I226 HydrophobicContact CD2-CG2 4.02Å; F224-I226 HydrophobicContact CE2-CG2 3.8Å
225D93.9Very high88.9Confident65 Ų6558.5 Ų58.535%0.34832%0.321SS..EExtended strand (participates in β ladder)trans-99.2135.8-179.5-56.9-31.1000111.1K173 T211 L212 R213K173-D225 VanDerWaalsContact CD-O 3.23Å; K173-D225 WeakPolarHBondContact CD-O 3.3Å; K173-D225 VanDerWaalsContact CE-O 3.25Å; K173-D225 WeakPolarHBondContact CE-O 3.15Å; K173-D225 PolarHBondContact NZ-O 3.32Å; T211-D225 HydrophobicContact CG2-CB 3.94Å; L212-D225 CarbonylContact O-C 3.45Å; L212-D225 VanDerWaalsContact O-CA 3.29Å; L212-D225 WeakPolarHBondContact O-CA 3.3Å; R213-D225 WeakPolarHBondContact CA-OD1 3.4Å; R213-D225 WeakPolarHBondContact CB-OD1 3.28Å; R213-D225 WeakPolarHBondContact CG-OD1 3.43Å
226I93.5Very high88.6Confident0 Ų057 Ų570%031%0.308CS..EExtended strand (participates in β ladder)trans-106.1148.417063.1173.2000109.3V164 K173 L189 T211 L212 V214 F224 L228V164-I226 HydrophobicContact CG1-CB 4.07Å; V164-I226 HydrophobicContact CG1-CD1 4.23Å; V164-I226 HydrophobicContact CG1-CG2 3.8Å; V164-I226 HydrophobicContact CG2-CB 3.79Å; V164-I226 HydrophobicContact CG2-CG2 3.85Å; K173-I226 HydrophobicContact CB-CG2 4.35Å; K173-I226 HydrophobicContact CD-CG2 4.46Å; L189-I226 HydrophobicContact CD2-CD1 4.11Å; T211-I226 WeakPolarHBondContact CA-O 3.38Å; L212-I226 HydrophobicContact CB-CD1 4.22Å; L212-I226 HydrophobicContact CB-CG1 3.72Å; L212-I226 PolarHBondContact N-O 3.47Å; L212-I226 WeakPolarHBondContact O-CG1 3.49Å; L212-I226 PolarHBondContact O-N 3.18Å; V214-I226 HydrophobicContact CG2-CD1 4.17Å; V214-I226 HydrophobicContact CG2-CG1 4.17Å; V214-I226 HydrophobicContact CG2-CG2 4.02Å; F224-I226 HydrophobicContact CD2-CG2 4.02Å; F224-I226 HydrophobicContact CE2-CG2 3.8Å; I226-L228 HydrophobicContact CD1-CD2 4.46Å
227R90.6Very high88.4Confident136 Ų13663.4 Ų63.451%0.51333%0.329SS..EExtended strand (participates in β ladder)trans-126.7134.5178.9-64.117769.9-174.2-0.9108.8I209 L210 T211I209-R227 HydrophobicContact CG2-CB 4.15Å; L210-R227 VanDerWaalsContact O-CA 3.27Å; L210-R227 WeakPolarHBondContact O-CA 3.35Å; T211-R227 HydrophobicContact CG2-CG 4.27Å
228L89.9Confident88.2Confident5 Ų565.8 Ų65.83%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-147.6164.4176.561.6141.1000111.1F155 T157 I209 L210 L212 I226 E232 L236F155-L228 HydrophobicContact CZ-CD1 4.49Å; T157-L228 HydrophobicContact CG2-CB 4.03Å; I209-L228 WeakPolarHBondContact CA-O 3.4Å; L210-L228 PolarHBondContact N-O 3.13Å; L210-L228 PolarHBondContact O-N 2.98Å; L210-L228 VanDerWaalsContact O-N 3.16Å; L212-L228 HydrophobicContact CD1-CD2 3.38Å; L212-L228 HydrophobicContact CD1-CG 4.33Å; L212-L228 HydrophobicContact CD2-CD2 4.48Å; I226-L228 HydrophobicContact CD1-CD2 4.46Å; L228-E232 HydrophobicContact CD1-CB 4.02Å; L228-L236 HydrophobicContact CD1-CB 4.19Å; L228-L236 HydrophobicContact CD1-CD2 3.69Å; L228-L236 HydrophobicContact CD2-CD2 3.56Å; L228-L236 HydrophobicContact CG-CD2 4.31Å
229N86.6Confident88.2Confident43 Ų4366.5 Ų66.523%0.2334%0.339CS..EExtended strand (participates in β ladder)trans-71142.6172-168.1-26.8000109.6V207 Q208 T231 E232V207-N229 HydrophobicContact CG1-CB 4.48Å; V207-N229 VanDerWaalsContact CG1-ND2 3.3Å; V207-N229 WeakPolarHBondContact CG1-ND2 3.34Å; Q208-N229 PolarHBondContact O-OD1 3.25Å; N229-T231 PolarHBondContact ND2-OG1 3.47Å; N229-T231 PolarHBondContact O-N 3.31Å; N229-T231 PolarHBondContact OD1-N 3.17Å; N229-T231 PolarHBondContact OD1-OG1 2.86Å; N229-E232 HydrophobicContact CB-CG 4.24Å; N229-E232 PolarHBondContact N-OE2 3.16Å; N229-E232 PolarHBondContact O-N 3.15Å
230S85Confident88.3Confident8 Ų861.3 Ų61.36%0.05631%0.305CS..G310 helixtrans-59.5-25.7176.568.40000113Q208 E232 Y233 H253Q208-S230 PolarHBondContact O-N 3.09Å; S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 PolarHBondContact O-N 2.81Å; S230-Y233 WeakPolarHBondContact O-CB 3.36Å; S230-Y233 PolarHBondContact O-N 2.71Å; S230-H253 WeakPolarHBondContact CB-O 3.41Å; S230-H253 PolarHBondContact OG-O 3.39Å
231T82.1Confident87.9Confident91 Ų9164.4 Ų64.456%0.55831%0.309SS*.G310 helixtrans-66.4-29174.558.90000113.1N229 Y233N229-T231 PolarHBondContact ND2-OG1 3.47Å; N229-T231 PolarHBondContact O-N 3.31Å; N229-T231 PolarHBondContact OD1-N 3.17Å; N229-T231 PolarHBondContact OD1-OG1 2.86Å; T231-Y233 VanDerWaalsContact C-N 3.31Å
232E85.8Confident87.1Confident55 Ų5565.7 Ų65.726%0.25732%0.32SS..G310 helixtrans-86.2-4179-60.4173150.300112.2F155 T157 L228 N229 S230 A234 E235 L236F155-E232 HydrophobicContact CE2-CB 4.18Å; F155-E232 HydrophobicContact CZ-CB 4.08Å; T157-E232 WeakPolarHBondContact CB-OE2 3.41Å; T157-E232 PolarHBondContact OG1-OE1 2.86Å; T157-E232 PolarHBondContact OG1-OE2 3.38Å; L228-E232 HydrophobicContact CD1-CB 4.02Å; N229-E232 HydrophobicContact CB-CG 4.24Å; N229-E232 PolarHBondContact N-OE2 3.16Å; N229-E232 PolarHBondContact O-N 3.15Å; S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 PolarHBondContact O-N 2.81Å; E232-A234 VanDerWaalsContact C-N 3.32Å; E232-A234 PolarHBondContact O-N 2.6Å; E232-E235 PolarHBondContact O-N 2.66Å; E232-L236 WeakPolarHBondContact O-CB 3.44Å; E232-L236 PolarHBondContact O-N 3.27Å
233Y85.6Confident86.4Confident11 Ų1163 Ų634%0.04332%0.321CS..Hα-helixtrans-63.9-35.2-175.1-177.7-102000113.2V191 L210 L212 S230 T231 R237 I244 I252V191-Y233 HydrophobicContact CG2-CE2 4.11Å; L210-Y233 HydrophobicContact CD1-CD2 3.57Å; L210-Y233 HydrophobicContact CD1-CE2 4.32Å; L210-Y233 HydrophobicContact CD1-CG 3.96Å; L212-Y233 HydrophobicContact CD2-CE2 4.44Å; S230-Y233 WeakPolarHBondContact O-CB 3.36Å; S230-Y233 PolarHBondContact O-N 2.71Å; T231-Y233 VanDerWaalsContact C-N 3.31Å; Y233-R237 VanDerWaalsContact O-CB 3.31Å; Y233-R237 WeakPolarHBondContact O-CB 3.4Å; Y233-R237 PolarHBondContact O-N 3.37Å; Y233-I244 HydrophobicContact CD2-CD1 4.47Å; Y233-I244 HydrophobicContact CE2-CD1 3.62Å; Y233-I244 HydrophobicContact CE2-CG2 4.47Å; Y233-I252 HydrophobicContact CD1-CG2 4.22Å; Y233-I252 HydrophobicContact CE1-CD1 4.07Å; Y233-I252 HydrophobicContact CE2-CD1 3.99Å; Y233-I252 HydrophobicContact CG-CG2 4.34Å
234A83Confident85.8Confident44 Ų4460.9 Ų60.936%0.36431%0.305SS..Hα-helixtrans-65.9-48178.500000111.3E232 L236 R237 E238E232-A234 VanDerWaalsContact C-N 3.32Å; E232-A234 PolarHBondContact O-N 2.6Å; A234-L236 PolarHBondContact O-N 3.3Å; A234-R237 WeakPolarHBondContact O-CB 3.32Å; A234-R237 PolarHBondContact O-N 3.35Å; A234-R237 VanDerWaalsContact O-N 3.14Å; A234-E238 WeakPolarHBondContact O-CG 3.49Å; A234-E238 PolarHBondContact O-N 2.88Å
235E87.6Confident85.2Confident100 Ų10067.4 Ų67.447%0.46733%0.33SS..Hα-helixtrans-62.5-42.9177.6-168.4-172.5165.200111.5F155 E232 R237 E238 K239F155-E235 HydrophobicContact CD2-CB 4.17Å; F155-E235 HydrophobicContact CD2-CG 3.78Å; F155-E235 HydrophobicContact CE2-CB 4.1Å; F155-E235 HydrophobicContact CE2-CG 4.17Å; E232-E235 PolarHBondContact O-N 2.66Å; E235-R237 VanDerWaalsContact C-N 3.32Å; E235-R237 PolarHBondContact O-N 3.39Å; E235-E238 PolarHBondContact O-N 3.28Å; E235-K239 PolarHBondContact O-N 3.03Å
236L88.6Confident84.2Confident0 Ų068.7 Ų68.70%034%0.336CS..Hα-helixtrans-55.7-48.3172.4171.565000111.5F155 I166 L212 L228 E232 A234 E238 K239 L240 I244F155-L236 HydrophobicContact CD1-CD1 4.01Å; F155-L236 HydrophobicContact CE1-CB 4.19Å; F155-L236 HydrophobicContact CE1-CD1 3.93Å; F155-L236 HydrophobicContact CE2-CB 4.3Å; F155-L236 HydrophobicContact CZ-CB 4.01Å; I166-L236 HydrophobicContact CD1-CD1 3.05Å; I166-L236 HydrophobicContact CG1-CD1 4.48Å; L212-L236 HydrophobicContact CD2-CD2 3.82Å; L228-L236 HydrophobicContact CD1-CB 4.19Å; L228-L236 HydrophobicContact CD1-CD2 3.69Å; L228-L236 HydrophobicContact CD2-CD2 3.56Å; L228-L236 HydrophobicContact CG-CD2 4.31Å; E232-L236 WeakPolarHBondContact O-CB 3.44Å; E232-L236 PolarHBondContact O-N 3.27Å; A234-L236 PolarHBondContact O-N 3.3Å; L236-E238 VanDerWaalsContact C-N 3.3Å; L236-E238 PolarHBondContact O-N 3.46Å; L236-K239 PolarHBondContact O-N 3.26Å; L236-L240 HydrophobicContact CD1-CD1 3.99Å; L236-L240 HydrophobicContact CD1-CG 4.35Å; L236-L240 HydrophobicContact CG-CD1 4Å; L236-L240 WeakPolarHBondContact O-CG 3.41Å; L236-L240 PolarHBondContact O-N 2.92Å; L236-I244 HydrophobicContact CD2-CD1 4.33Å; L236-I244 HydrophobicContact CG-CD1 4.44Å
237R86.4Confident83.4Confident158 Ų15870.4 Ų70.460%0.59635%0.351SS*.Hα-helixtrans-64.2-36.6-178.3-179-179.1173.8-172.5-1.3111.7Y233 A234 E235 K239 L240 I244Y233-R237 VanDerWaalsContact O-CB 3.31Å; Y233-R237 WeakPolarHBondContact O-CB 3.4Å; Y233-R237 PolarHBondContact O-N 3.37Å; A234-R237 WeakPolarHBondContact O-CB 3.32Å; A234-R237 PolarHBondContact O-N 3.35Å; A234-R237 VanDerWaalsContact O-N 3.14Å; E235-R237 VanDerWaalsContact C-N 3.32Å; E235-R237 PolarHBondContact O-N 3.39Å; R237-K239 VanDerWaalsContact C-N 3.29Å; R237-K239 PolarHBondContact O-N 2.88Å; R237-L240 PolarHBondContact O-N 3.09Å; R237-I244 HydrophobicContact CB-CD1 4.34Å
238E86.3Confident81.4Confident160 Ų16068.9 Ų68.975%0.74837%0.367SS*.Hα-helixtrans-65.7-31.8176.1-73.8177.6-176.700112.6A234 E235 L236A234-E238 WeakPolarHBondContact O-CG 3.49Å; A234-E238 PolarHBondContact O-N 2.88Å; E235-E238 PolarHBondContact O-N 3.28Å; L236-E238 VanDerWaalsContact C-N 3.3Å; L236-E238 PolarHBondContact O-N 3.46Å
239K88.6Confident80.1Confident55 Ų5576.2 Ų76.224%0.23941%0.406CS..Hα-helixtrans-80.9-12.4177.3-69.6-46.7-173.7-170.40115.5D153 F155 I166 Q184 E235 L236 R237D153-K239 WeakPolarHBondContact OD1-CE 3.37Å; D153-K239 IonicContact OD1-NZ 3.21Å; D153-K239 PolarHBondContact OD1-NZ 3.37Å; D153-K239 IonicContact OD2-NZ 3.82Å; D153-K239 PolarHBondContact OD2-NZ 2.86Å; F155-K239 HydrophobicContact CB-CB 4.3Å; F155-K239 HydrophobicContact CB-CG 3.85Å; I166-K239 HydrophobicContact CG2-CB 4.34Å; Q184-K239 PolarHBondContact NE2-O 3.18Å; E235-K239 PolarHBondContact O-N 3.03Å; L236-K239 PolarHBondContact O-N 3.26Å; R237-K239 VanDerWaalsContact C-N 3.29Å; R237-K239 PolarHBondContact O-N 2.88Å
240L86.8Confident79.1Confident15 Ų1575.2 Ų75.28%0.07940%0.402CS..  trans-93.8129.4-179.3-67.8166.8000110.9I166 I171 Q184 L189 L236 R237 A242 I244I166-L240 HydrophobicContact CD1-CD2 4.43Å; I166-L240 HydrophobicContact CG2-CD2 4.23Å; I171-L240 HydrophobicContact CD1-CD2 4.11Å; Q184-L240 HydrophobicContact CG-CD2 4Å; L189-L240 HydrophobicContact CD1-CD1 4.35Å; L189-L240 HydrophobicContact CD1-CD2 4.04Å; L189-L240 HydrophobicContact CD2-CD1 3.79Å; L189-L240 HydrophobicContact CD2-CD2 4.22Å; L236-L240 HydrophobicContact CD1-CD1 3.99Å; L236-L240 HydrophobicContact CD1-CG 4.35Å; L236-L240 HydrophobicContact CG-CD1 4Å; L236-L240 WeakPolarHBondContact O-CG 3.41Å; L236-L240 PolarHBondContact O-N 2.92Å; R237-L240 PolarHBondContact O-N 3.09Å; L240-A242 VanDerWaalsContact C-N 3.3Å; L240-I244 HydrophobicContact CD1-CD1 3.69Å; L240-I244 HydrophobicContact CD1-CG1 3.67Å
241H78.5Confident78.2Confident151 Ų15178.6 Ų78.670%0.69942%0.422SS*.SBendtrans-70.8-26.1172.8-65.6-52.1000112.8D168 Q184D168-H241 PolarHBondContact O-CD2 2.92Å; D168-H241 VanDerWaalsContact O-CD2 3.3Å; D168-H241 PolarHBondContact O-NE2 3.31Å; D168-H241 VanDerWaalsContact O-NE2 3.16Å; Q184-H241 PolarHBondContact OE1-CD2 3.05Å
242A74.3Confident77.4Confident33 Ų3375.8 Ų75.827%0.27340%0.403SS..SBendtrans-108144.7-178.600000111.6L240L240-A242 VanDerWaalsContact C-N 3.3Å
243P74.7Confident76.3Confident116 Ų11674 Ų7475%0.75340%0.395SS*.PPolyproline II helixtrans-66.5139.9178.427.8-34.3000111.6
244I80.3Confident75Confident22 Ų2277.8 Ų77.811%0.11341%0.413CS..PPolyproline II helixtrans-77.2132172.8-53.3173.4000109L189 V191 L212 Y233 L236 R237 L240L189-I244 HydrophobicContact CB-CG1 4.43Å; L189-I244 HydrophobicContact CB-CG2 4.26Å; V191-I244 HydrophobicContact CG2-CG2 3.59Å; L212-I244 HydrophobicContact CD2-CD1 4.24Å; L212-I244 HydrophobicContact CD2-CG2 4.09Å; Y233-I244 HydrophobicContact CD2-CD1 4.47Å; Y233-I244 HydrophobicContact CE2-CD1 3.62Å; Y233-I244 HydrophobicContact CE2-CG2 4.47Å; L236-I244 HydrophobicContact CD2-CD1 4.33Å; L236-I244 HydrophobicContact CG-CD1 4.44Å; R237-I244 HydrophobicContact CB-CD1 4.34Å; L240-I244 HydrophobicContact CD1-CD1 3.69Å; L240-I244 HydrophobicContact CD1-CG1 3.67Å
245R81.3Confident74.3Confident148 Ų14878.9 Ų78.956%0.55842%0.415SS*.EExtended strand (participates in β ladder)trans-86.9139174.5-62.1-179.8-179.7176.92.4109.8L189 T190 V191L189-R245 PolarHBondContact O-N 2.78Å; T190-R245 CarbonylContact C-O 3.55Å; T190-R245 WeakPolarHBondContact CA-O 3.29Å; T190-R245 HydrophobicContact CG2-CB 4.27Å; V191-R245 PolarHBondContact N-O 2.85Å
246N73.6Confident73.3Confident91 Ų9177.2 Ų77.249%0.48741%0.408SS..EExtended strand (participates in β ladder)trans-101.3132.6172.4-69.3-29.2000109.7V191V191-N246 WeakPolarHBondContact CG2-OD1 3.07Å
247A75.2Confident72.6Confident37 Ų3779.3 Ų79.331%0.30642%0.423SS..PPolyproline II helixtrans-66147.3164.700000109.7V191 N249 V250V191-A247 VanDerWaalsContact O-CB 3.22Å; V191-A247 WeakPolarHBondContact O-CB 3.25Å; V191-A247 PolarHBondContact O-N 3.21Å; A247-N249 PolarHBondContact O-N 2.89Å; A247-V250 HydrophobicContact CB-CG2 4Å; A247-V250 PolarHBondContact O-N 2.8Å
248A50.2Low72.1Confident104 Ų10475 Ų7586%0.8641%0.411SS*.THydrogen-bonded Turntrans-56.8-21.1-166.900000115.4
249N62.9Low71.5Confident158 Ų15868.5 Ų68.585%0.84538%0.382SS*.THydrogen-bonded Turntrans-117.721-173.8-59.7-25.4000113.5A247A247-N249 PolarHBondContact O-N 2.89Å
250V63.7Low71.3Confident22 Ų2266.6 Ų66.613%0.13337%0.374CS..  trans-107.6110.7-179.2-175.20000110.5V191 A247 I252V191-V250 HydrophobicContact CG1-CG1 3.7Å; A247-V250 HydrophobicContact CB-CG2 4Å; A247-V250 PolarHBondContact O-N 2.8Å; V250-I252 HydrophobicContact CG1-CG1 4.44Å
251V66.5Low71.3Confident80 Ų8066.5 Ų66.549%0.48537%0.373SS..  trans-92125.6174.2-174.10000109.1Q208 H253Q208-V251 PolarHBondContact NE2-O 3.5Å; V251-H253 VanDerWaalsContact CG1-CE1 3.43Å; V251-H253 WeakPolarHBondContact CG1-CE1 3.34Å
252I66.3Low71.6Confident32 Ų3263.5 Ų63.516%0.16436%0.359CS..  trans-105.7113179.7-57.2172.4000108.5V191 L210 Y233 V250 Q254V191-I252 HydrophobicContact CG1-CD1 4.33Å; V191-I252 HydrophobicContact CG2-CD1 4.03Å; L210-I252 HydrophobicContact CD1-CD1 4.43Å; L210-I252 HydrophobicContact CD1-CG1 4.34Å; L210-I252 HydrophobicContact CD1-CG2 3.78Å; L210-I252 HydrophobicContact CD2-CG1 4.1Å; L210-I252 HydrophobicContact CD2-CG2 4.31Å; Y233-I252 HydrophobicContact CD1-CG2 4.22Å; Y233-I252 HydrophobicContact CE1-CD1 4.07Å; Y233-I252 HydrophobicContact CE2-CD1 3.99Å; Y233-I252 HydrophobicContact CG-CG2 4.34Å; V250-I252 HydrophobicContact CG1-CG1 4.44Å; I252-Q254 HydrophobicContact CG2-CG 4.11Å
253H61.5Low72.2Confident18 Ų1864.2 Ų64.28%0.08336%0.36CS..  trans-92.6107.9173.3-53.9-76.9000108.7Q208 S230 V251 L259 E262Q208-H253 PolarHBondContact OE1-CD2 3.09Å; Q208-H253 PolarHBondContact OE1-O 3.3Å; S230-H253 WeakPolarHBondContact CB-O 3.41Å; S230-H253 PolarHBondContact OG-O 3.39Å; V251-H253 VanDerWaalsContact CG1-CE1 3.43Å; V251-H253 WeakPolarHBondContact CG1-CE1 3.34Å; H253-L259 HydrophobicContact CB-CB 4.48Å; H253-E262 IonicContact CE1-OE1 2.71Å; H253-E262 IonicContact CE1-OE2 2.75Å; H253-E262 PolarHBondContact CE1-OE2 3.26Å; H253-E262 IonicContact ND1-OE2 2.75Å; H253-E262 IonicContact NE2-OE2 3.3Å; H253-E262 PolarHBondContact NE2-OE2 2.62Å
254Q59.2Low73Confident89 Ų8958.7 Ų58.742%0.41633%0.325SS..  trans-82.8-26.9-177.2-64.9179.82200112I252I252-Q254 HydrophobicContact CG2-CG 4.11Å
255T67.5Low73.5Confident67 Ų6760.9 Ų60.941%0.41133%0.333SS..SBendtrans-128.2154.1-179.771.60000112.7S257 D258 L259T255-S257 PolarHBondContact O-N 3.24Å; T255-D258 PolarHBondContact N-OD2 3.44Å; T255-D258 WeakPolarHBondContact O-CB 3.4Å; T255-D258 PolarHBondContact O-N 3.5Å; T255-D258 PolarHBondContact OG1-N 3.19Å; T255-D258 PolarHBondContact OG1-OD2 2.9Å; T255-L259 PolarHBondContact O-N 2.88Å
256M67.7Low73.9Confident65 Ų6556.7 Ų56.732%0.3233%0.327SS..Hα-helixtrans-57.7-32.2169.6-74.5-59.8-62.600111.9P206 D258 L259 F260 P336P206-M256 HydrophobicContact CG-CE 4.2Å; M256-D258 VanDerWaalsContact C-N 3.35Å; M256-L259 PolarHBondContact O-N 3.43Å; M256-F260 WeakPolarHBondContact O-CB 3.31Å; M256-F260 PolarHBondContact O-N 3.26Å; M256-P336 HydrophobicContact CE-CB 3.64Å; M256-P336 HydrophobicContact CE-CG 4.09Å
257S73.7Confident74.7Confident45 Ų4555.9 Ų55.932%0.31532%0.32SS..Hα-helixtrans-64-38.7173.6-560000112T255 F260 L261T255-S257 PolarHBondContact O-N 3.24Å; S257-F260 PolarHBondContact O-N 2.95Å; S257-L261 WeakPolarHBondContact O-CB 3.36Å; S257-L261 WeakPolarHBondContact O-CG 3.43Å; S257-L261 PolarHBondContact O-N 2.97Å
258D75.1Confident75.5Confident66 Ų6654.1 Ų54.135%0.35331%0.306SS..Hα-helixtrans-67.6-42.5177.7-60.7-41.7000111.9T255 M256 F260 L261 E262T255-D258 PolarHBondContact N-OD2 3.44Å; T255-D258 WeakPolarHBondContact O-CB 3.4Å; T255-D258 PolarHBondContact O-N 3.5Å; T255-D258 PolarHBondContact OG1-N 3.19Å; T255-D258 PolarHBondContact OG1-OD2 2.9Å; M256-D258 VanDerWaalsContact C-N 3.35Å; D258-F260 VanDerWaalsContact C-N 3.35Å; D258-L261 PolarHBondContact O-N 3.24Å; D258-E262 PolarHBondContact O-N 2.84Å; D258-E262 VanDerWaalsContact O-N 3.09Å
259L74Confident77.5Confident25 Ų2555.2 Ų55.213%0.13129%0.293CS..Hα-helixtrans-63.3-42.8175-175.968.6000111.3Q196 P206 H253 T255 M256 E262 T263Q196-L259 VanDerWaalsContact NE2-CD1 3.33Å; P206-L259 HydrophobicContact CB-CD2 4.36Å; P206-L259 HydrophobicContact CG-CD2 3.89Å; H253-L259 HydrophobicContact CB-CB 4.48Å; T255-L259 PolarHBondContact O-N 2.88Å; M256-L259 PolarHBondContact O-N 3.43Å; L259-E262 PolarHBondContact O-N 3.3Å; L259-T263 PolarHBondContact O-N 3.38Å; L259-T263 PolarHBondContact O-OG1 2.79Å
260F84.3Confident78.8Confident14 Ų1453.7 Ų53.76%0.06128%0.282CS..Hα-helixtrans-61.5-44.1173.9174-92.1000111.2M256 S257 D258 E262 T263 F264 F327 A328 W339 L340M256-F260 WeakPolarHBondContact O-CB 3.31Å; M256-F260 PolarHBondContact O-N 3.26Å; S257-F260 PolarHBondContact O-N 2.95Å; D258-F260 VanDerWaalsContact C-N 3.35Å; F260-E262 VanDerWaalsContact C-N 3.33Å; F260-E262 PolarHBondContact O-N 2.99Å; F260-T263 PolarHBondContact O-N 2.97Å; F260-F264 HydrophobicContact CD1-CB 4.25Å; F260-F264 HydrophobicContact CE1-CB 3.85Å; F260-F264 AromaticContact CE1-CD2 3.84Å; F260-F264 HydrophobicContact CE1-CD2 3.84Å; F260-F264 HydrophobicContact CE1-CG 4.02Å; F260-F264 HydrophobicContact CZ-CB 4.06Å; F260-F264 AromaticContact CZ-CD2 3.62Å; F260-F264 HydrophobicContact CZ-CD2 3.62Å; F260-F264 HydrophobicContact CZ-CE2 4.48Å; F260-F264 HydrophobicContact CZ-CG 4.18Å; F260-F264 WeakPolarHBondContact O-CA 3.29Å; F260-F264 WeakPolarHBondContact O-CB 3.26Å; F260-F264 PolarHBondContact O-N 2.92Å; F260-F327 HydrophobicContact CE1-CB 4.28Å; F260-F327 AromaticContact CE1-CD1 3.99Å; F260-F327 HydrophobicContact CE1-CD1 3.99Å; F260-F327 HydrophobicContact CE1-CG 4.47Å; F260-F327 HydrophobicContact CE2-CD1 4.17Å; F260-F327 HydrophobicContact CE2-CE1 4.29Å; F260-F327 HydrophobicContact CZ-CB 4.37Å; F260-F327 AromaticContact CZ-CD1 3.31Å; F260-F327 HydrophobicContact CZ-CD1 3.31Å; F260-F327 AromaticContact CZ-CE1 3.79Å; F260-F327 HydrophobicContact CZ-CE1 3.79Å; F260-F327 HydrophobicContact CZ-CG 4.07Å; F260-A328 HydrophobicContact CD1-CB 3.65Å; F260-A328 HydrophobicContact CE1-CB 3.92Å; F260-A328 HydrophobicContact CG-CB 4.39Å; F260-W339 HydrophobicContact CB-CE3 3.89Å; F260-W339 HydrophobicContact CB-CZ3 3.92Å; F260-W339 HydrophobicContact CD1-CE3 4.43Å; F260-W339 HydrophobicContact CD2-CB 4.05Å; F260-W339 HydrophobicContact CD2-CD2 4.49Å; F260-W339 AromaticContact CD2-CE3 3.63Å; F260-W339 HydrophobicContact CD2-CE3 3.63Å; F260-W339 HydrophobicContact CD2-CZ3 4.47Å; F260-W339 HydrophobicContact CE2-CB 3.93Å; F260-W339 HydrophobicContact CE2-CE3 4.29Å; F260-W339 AromaticContact CG-CE3 3.7Å; F260-W339 HydrophobicContact CG-CE3 3.7Å; F260-W339 HydrophobicContact CG-CZ3 4.11Å; F260-L340 HydrophobicContact CD2-CD2 4.26Å; F260-L340 HydrophobicContact CE2-CD2 3.74Å; F260-L340 HydrophobicContact CE2-CG 4.29Å
261L88.1Confident80.2Confident13 Ų1354 Ų547%0.06828%0.283CS..Hα-helixtrans-61.9-40.2-179-77172.7000112.5S257 D258 K265 K325S257-L261 WeakPolarHBondContact O-CB 3.36Å; S257-L261 WeakPolarHBondContact O-CG 3.43Å; S257-L261 PolarHBondContact O-N 2.97Å; D258-L261 PolarHBondContact O-N 3.24Å; L261-K265 WeakPolarHBondContact O-CB 3.28Å; L261-K265 WeakPolarHBondContact O-CG 3.2Å; L261-K265 PolarHBondContact O-N 3.44Å; L261-K325 HydrophobicContact CD1-CD 4.49Å; L261-K325 HydrophobicContact CD1-CG 3.72Å; L261-K325 HydrophobicContact CD2-CB 4.48Å; L261-K325 HydrophobicContact CD2-CG 3.86Å; L261-K325 VanDerWaalsContact CD2-N 3.3Å; L261-K325 HydrophobicContact CG-CG 4.37Å
262E84.8Confident81.2Confident88 Ų8856.2 Ų56.241%0.41129%0.288SS..Hα-helixtrans-65.4-49.1174.9-174.6-178.2-141.900111.1H253 D258 L259 F260 F264 K265 S266H253-E262 IonicContact CE1-OE1 2.71Å; H253-E262 IonicContact CE1-OE2 2.75Å; H253-E262 PolarHBondContact CE1-OE2 3.26Å; H253-E262 IonicContact ND1-OE2 2.75Å; H253-E262 IonicContact NE2-OE2 3.3Å; H253-E262 PolarHBondContact NE2-OE2 2.62Å; D258-E262 PolarHBondContact O-N 2.84Å; D258-E262 VanDerWaalsContact O-N 3.09Å; L259-E262 PolarHBondContact O-N 3.3Å; F260-E262 VanDerWaalsContact C-N 3.33Å; F260-E262 PolarHBondContact O-N 2.99Å; E262-F264 VanDerWaalsContact C-N 3.3Å; E262-F264 PolarHBondContact O-N 3.48Å; E262-K265 PolarHBondContact O-N 3.09Å; E262-S266 PolarHBondContact O-N 3.23Å
263T85.4Confident82.4Confident48 Ų4857.7 Ų57.729%0.29430%0.299SS..Hα-helixtrans-60.2-43.5177.5-53.50000111L259 F260 K265 S266 Q267 L340L259-T263 PolarHBondContact O-N 3.38Å; L259-T263 PolarHBondContact O-OG1 2.79Å; F260-T263 PolarHBondContact O-N 2.97Å; T263-K265 PolarHBondContact O-N 3.23Å; T263-S266 PolarHBondContact O-N 3.41Å; T263-Q267 HydrophobicContact CG2-CG 4.33Å; T263-Q267 WeakPolarHBondContact O-CB 3.1Å; T263-Q267 VanDerWaalsContact O-CG 3.25Å; T263-Q267 WeakPolarHBondContact O-CG 3.5Å; T263-Q267 PolarHBondContact O-N 3.28Å; T263-L340 HydrophobicContact CG2-CD1 3.81Å; T263-L340 HydrophobicContact CG2-CD2 4.23Å
264F91.2Very high83.8Confident0 Ų059.3 Ų59.30%030%0.304CS..Hα-helixtrans-59-47.4177179.2-90.6000111F260 E262 Q267 V268 L320 M323 G324 F327 I355 V358F260-F264 HydrophobicContact CD1-CB 4.25Å; F260-F264 HydrophobicContact CE1-CB 3.85Å; F260-F264 AromaticContact CE1-CD2 3.84Å; F260-F264 HydrophobicContact CE1-CD2 3.84Å; F260-F264 HydrophobicContact CE1-CG 4.02Å; F260-F264 HydrophobicContact CZ-CB 4.06Å; F260-F264 AromaticContact CZ-CD2 3.62Å; F260-F264 HydrophobicContact CZ-CD2 3.62Å; F260-F264 HydrophobicContact CZ-CE2 4.48Å; F260-F264 HydrophobicContact CZ-CG 4.18Å; F260-F264 WeakPolarHBondContact O-CA 3.29Å; F260-F264 WeakPolarHBondContact O-CB 3.26Å; F260-F264 PolarHBondContact O-N 2.92Å; E262-F264 VanDerWaalsContact C-N 3.3Å; E262-F264 PolarHBondContact O-N 3.48Å; F264-Q267 PolarHBondContact O-N 3.26Å; F264-V268 HydrophobicContact CD1-CG2 4.19Å; F264-V268 HydrophobicContact CE1-CG2 3.93Å; F264-V268 HydrophobicContact CE2-CG2 4.35Å; F264-V268 HydrophobicContact CZ-CG2 4.02Å; F264-V268 WeakPolarHBondContact O-CB 3.42Å; F264-V268 WeakPolarHBondContact O-CG2 3.02Å; F264-V268 PolarHBondContact O-N 3.09Å; F264-L320 HydrophobicContact CD1-CD1 4.34Å; F264-L320 HydrophobicContact CE1-CD1 3.79Å; F264-M323 HydrophobicContact CZ-CG 4.37Å; F264-G324 VanDerWaalsContact CE1-CA 3.5Å; F264-F327 HydrophobicContact CE2-CB 4.16Å; F264-F327 AromaticContact CE2-CD2 3.9Å; F264-F327 HydrophobicContact CE2-CD2 3.9Å; F264-F327 HydrophobicContact CE2-CE2 4.47Å; F264-F327 AromaticContact CE2-CG 4Å; F264-F327 HydrophobicContact CE2-CG 4Å; F264-I355 HydrophobicContact CD2-CD1 3.65Å; F264-I355 HydrophobicContact CD2-CG1 3.91Å; F264-I355 HydrophobicContact CE2-CD1 4.22Å; F264-I355 HydrophobicContact CE2-CG1 3.95Å; F264-I355 HydrophobicContact CG-CD1 4.35Å; F264-V358 HydrophobicContact CE2-CG2 4.46Å; F264-V358 HydrophobicContact CZ-CG1 4.21Å; F264-V358 HydrophobicContact CZ-CG2 4.06Å
265K91.7Very high85.2Confident68 Ų6861.7 Ų61.730%0.29632%0.315SS..Hα-helixtrans-59.8-49.7176.3-74.5170.5-179.5-174.50111.6L261 E262 T263 Q267 V268 E269 L320 T321L261-K265 WeakPolarHBondContact O-CB 3.28Å; L261-K265 WeakPolarHBondContact O-CG 3.2Å; L261-K265 PolarHBondContact O-N 3.44Å; E262-K265 PolarHBondContact O-N 3.09Å; T263-K265 PolarHBondContact O-N 3.23Å; K265-Q267 VanDerWaalsContact C-N 3.31Å; K265-Q267 PolarHBondContact O-N 2.78Å; K265-V268 PolarHBondContact O-N 3.46Å; K265-V268 VanDerWaalsContact O-N 3.16Å; K265-E269 VanDerWaalsContact O-CG 3.32Å; K265-E269 WeakPolarHBondContact O-CG 3.23Å; K265-E269 PolarHBondContact O-N 3.37Å; K265-L320 HydrophobicContact CB-CD2 4.23Å; K265-L320 HydrophobicContact CG-CD2 3.78Å; K265-L320 HydrophobicContact CG-CG 4Å; K265-T321 VanDerWaalsContact CE-OG1 3.24Å; K265-T321 WeakPolarHBondContact CE-OG1 3.34Å; K265-T321 PolarHBondContact NZ-OG1 2.97Å
266S89.6Confident86Confident60 Ų6061.1 Ų61.142%0.4231%0.31SS..Hα-helixtrans-60.5-39.3179.5176.30000112.6E262 T263E262-S266 PolarHBondContact O-N 3.23Å; T263-S266 PolarHBondContact O-N 3.41Å
267Q89.9Confident86.6Confident75 Ų7562.2 Ų62.235%0.3532%0.32SS..Hα-helixtrans-67.2-42.7174.8-68.7-62.3-37.300112T263 F264 K265 E269 M270 I355T263-Q267 HydrophobicContact CG2-CG 4.33Å; T263-Q267 WeakPolarHBondContact O-CB 3.1Å; T263-Q267 VanDerWaalsContact O-CG 3.25Å; T263-Q267 WeakPolarHBondContact O-CG 3.5Å; T263-Q267 PolarHBondContact O-N 3.28Å; F264-Q267 PolarHBondContact O-N 3.26Å; K265-Q267 VanDerWaalsContact C-N 3.31Å; K265-Q267 PolarHBondContact O-N 2.78Å; Q267-E269 VanDerWaalsContact C-N 3.33Å; Q267-E269 PolarHBondContact O-N 2.93Å; Q267-M270 VanDerWaalsContact CD-CE 3.48Å; Q267-M270 HydrophobicContact CG-CE 4.47Å; Q267-M270 PolarHBondContact O-N 3.39Å; Q267-M270 VanDerWaalsContact OE1-CE 3.22Å; Q267-I355 HydrophobicContact CB-CD1 3.58Å; Q267-I355 HydrophobicContact CB-CG1 4.29Å; Q267-I355 HydrophobicContact CG-CD1 4.15Å
268V92.6Very high86.4Confident0 Ų066.2 Ų66.20%035%0.348CS..Hα-helixtrans-69.3-30.2179.41720000112.5F264 K265 M270 N271 L320 I355 V358 I360F264-V268 HydrophobicContact CD1-CG2 4.19Å; F264-V268 HydrophobicContact CE1-CG2 3.93Å; F264-V268 HydrophobicContact CE2-CG2 4.35Å; F264-V268 HydrophobicContact CZ-CG2 4.02Å; F264-V268 WeakPolarHBondContact O-CB 3.42Å; F264-V268 WeakPolarHBondContact O-CG2 3.02Å; F264-V268 PolarHBondContact O-N 3.09Å; K265-V268 PolarHBondContact O-N 3.46Å; K265-V268 VanDerWaalsContact O-N 3.16Å; V268-M270 PolarHBondContact O-N 3.23Å; V268-N271 WeakPolarHBondContact O-CB 3.34Å; V268-N271 PolarHBondContact O-N 3.33Å; V268-L320 HydrophobicContact CB-CD1 4.03Å; V268-L320 HydrophobicContact CG1-CD1 3.58Å; V268-L320 HydrophobicContact CG2-CD1 4.31Å; V268-I355 HydrophobicContact CG2-CG1 4.01Å; V268-V358 HydrophobicContact CG1-CB 4.19Å; V268-V358 HydrophobicContact CG1-CG1 3.78Å; V268-V358 HydrophobicContact CG2-CB 3.8Å; V268-V358 HydrophobicContact CG2-CG1 3.86Å; V268-I360 HydrophobicContact CG1-CD1 4.37Å; V268-I360 HydrophobicContact CG1-CG1 3.8Å
269E92.5Very high86.1Confident127 Ų12767 Ų6759%0.59337%0.371SS*.Hα-helixtrans-62.9-23.2173.2-77.1169.3-176.600113K265 Q267 I360K265-E269 VanDerWaalsContact O-CG 3.32Å; K265-E269 WeakPolarHBondContact O-CG 3.23Å; K265-E269 PolarHBondContact O-N 3.37Å; Q267-E269 VanDerWaalsContact C-N 3.33Å; Q267-E269 PolarHBondContact O-N 2.93Å; E269-I360 HydrophobicContact CB-CD1 4.37Å; E269-I360 HydrophobicContact CG-CD1 3.74Å
270M90.3Very high86.2Confident125 Ų12568.7 Ų68.762%0.61638%0.379SS*.THydrogen-bonded Turntrans-85.9-11.3174.1-62.2-174.9-73.500113.3Q267 V268Q267-M270 VanDerWaalsContact CD-CE 3.48Å; Q267-M270 HydrophobicContact CG-CE 4.47Å; Q267-M270 PolarHBondContact O-N 3.39Å; Q267-M270 VanDerWaalsContact OE1-CE 3.22Å; V268-M270 PolarHBondContact O-N 3.23Å
271N91.8Very high86Confident30 Ų3076.6 Ų76.616%0.1642%0.416CS..SBendtrans-76.7167.3178.4-67-16000111.5V268 V273 I355 V358V268-N271 WeakPolarHBondContact O-CB 3.34Å; V268-N271 PolarHBondContact O-N 3.33Å; N271-V273 PolarHBondContact O-N 2.81Å; N271-I355 PolarHBondContact ND2-O 3.13Å; N271-V358 WeakPolarHBondContact CB-O 3.47Å; N271-V358 PolarHBondContact ND2-O 2.99Å
272Q89.3Confident86Confident126 Ų12678.5 Ų78.559%0.58943%0.426SS*.PPolyproline II helixtrans-61.2134.7174.7-174.3176.8-17.300111.3L300 C359Q272-L300 HydrophobicContact CB-CD1 3.96Å; Q272-C359 VanDerWaalsContact O-CB 3.25Å; Q272-C359 WeakPolarHBondContact O-CB 3.21Å; Q272-C359 PolarHBondContact O-SG 3.32Å; Q272-C359 VanDerWaalsContact O-SG 3.38Å
273V91.1Very high86.3Confident63 Ų6380.7 Ų80.738%0.38244%0.436SS..PPolyproline II helixtrans-77.7132.5173.9-179.60000109.7N271 I360 P362N271-V273 PolarHBondContact O-N 2.81Å; V273-I360 WeakPolarHBondContact CG1-O 3.33Å; V273-P362 HydrophobicContact CG1-CB 4.46Å; V273-P362 HydrophobicContact CG1-CG 3.93Å
274Y90.4Very high86.7Confident52 Ų5282 Ų8220%0.20445%0.447CS..PPolyproline II helixtrans-84.9118.9175.2179.6-98.3000110.1K296 I360 V361 P362Y274-K296 HydrophobicContact CD1-CB 4.01Å; Y274-K296 HydrophobicContact CD1-CG 3.98Å; Y274-K296 HydrophobicContact CD2-CG 3.99Å; Y274-K296 HydrophobicContact CE1-CG 4.2Å; Y274-K296 HydrophobicContact CE2-CG 4.24Å; Y274-K296 HydrophobicContact CG-CB 3.95Å; Y274-K296 HydrophobicContact CG-CG 3.86Å; Y274-I360 PolarHBondContact N-O 3.07Å; Y274-V361 HydrophobicContact CD1-CG2 3.93Å; Y274-P362 VanDerWaalsContact O-CD 3.29Å; Y274-P362 WeakPolarHBondContact O-CD 3.46Å
275Q88.4Confident86.9Confident139 Ų13982 Ų8265%0.6545%0.447SS*.PPolyproline II helixtrans-82.1125.9175.4-63.1-62.8-27.200109.9
276L83.7Confident87Confident55 Ų5582.3 Ų82.329%0.28845%0.451SS..PPolyproline II helixtrans-63.6134.4176.2-82.9146.5000110.8Q280 L282 V361L276-Q280 HydrophobicContact CD2-CB 4.16Å; L276-Q280 HydrophobicContact CD2-CG 4.29Å; L276-L282 HydrophobicContact CD1-CD1 3.9Å; L276-L282 HydrophobicContact CD1-CG 4.12Å; L276-L282 HydrophobicContact CD2-CD2 3.96Å; L276-L282 HydrophobicContact CD2-CG 4.17Å; L276-V361 HydrophobicContact CD1-CG1 3.38Å; L276-V361 HydrophobicContact CD2-CG1 4.12Å; L276-V361 HydrophobicContact CG-CG1 3.51Å
277T80.3Confident87.1Confident88 Ų8881.4 Ų81.454%0.5445%0.452SS..PPolyproline II helixtrans-66.5137.2170-40.80000109.6G279 Q280T277-G279 PolarHBondContact O-N 2.86Å; T277-Q280 WeakPolarHBondContact O-CB 3.48Å; T277-Q280 PolarHBondContact O-N 3.39Å; T277-Q280 VanDerWaalsContact O-N 3.15Å
278S70.2Confident87.3Confident129 Ų12979.8 Ų79.890%0.90245%0.448SS*.THydrogen-bonded Turntrans-49.9121.2-179.1-55.30000112.3
279G69.6Low87.3Confident82 Ų8286.9 Ų86.985%0.84548%0.483SS*.THydrogen-bonded Turntrans95.32.9177.600000116T277T277-G279 PolarHBondContact O-N 2.86Å
280Q75.8Confident87.3Confident60 Ų6088.9 Ų88.928%0.2849%0.493SS..  trans-89.6110.4175.5-167.4177.7-29.500111.2L276 T277L276-Q280 HydrophobicContact CD2-CB 4.16Å; L276-Q280 HydrophobicContact CD2-CG 4.29Å; T277-Q280 WeakPolarHBondContact O-CB 3.48Å; T277-Q280 PolarHBondContact O-N 3.39Å; T277-Q280 VanDerWaalsContact O-N 3.15Å
281E79.9Confident87.5Confident180 Ų18086.1 Ų86.184%0.84148%0.482SS*.  trans-79.1141.8173.4-66.4-176.1174.400111.3
282L87.4Confident87.6Confident54 Ų5488.4 Ų88.428%0.28350%0.499SS..  trans-87.6114176.5-73.8173.6000110.3L276 A293 P316 V361L276-L282 HydrophobicContact CD1-CD1 3.9Å; L276-L282 HydrophobicContact CD1-CG 4.12Å; L276-L282 HydrophobicContact CD2-CD2 3.96Å; L276-L282 HydrophobicContact CD2-CG 4.17Å; L282-A293 WeakPolarHBondContact CD1-O 3.33Å; L282-A293 VanDerWaalsContact CD2-O 3.29Å; L282-A293 WeakPolarHBondContact CD2-O 3.38Å; L282-P316 HydrophobicContact CD2-CB 3.85Å; L282-P316 HydrophobicContact CD2-CG 4.13Å; L282-V361 HydrophobicContact CD1-CG1 4.11Å; L282-V361 HydrophobicContact CD2-CG1 4.28Å
283E90.8Very high87.8Confident134 Ų13482.4 Ų82.463%0.62647%0.471SS*.PPolyproline II helixtrans-73.1166.7172.7-67177-164.800111.7A293E283-A293 WeakPolarHBondContact O-CB 3.41Å; E283-A293 PolarHBondContact O-N 2.88Å
284S93.5Very high88Confident76 Ų7682 Ų8253%0.53147%0.467SS..BIsolated β-bridgetrans-62.9141.4172.1-68.80000111I286S284-I286 PolarHBondContact O-N 3.45Å
285C96Very high88.1Confident0 Ų079.7 Ų79.70%046%0.458CS..PPolyproline II helixtrans-55.9124.4177.9166.30000111G287 C288 M289 V291 M317 C319C285-G287 PolarHBondContact O-N 3.48Å; C285-G287 VanDerWaalsContact O-N 3.15Å; C285-G287 PolarHBondContact SG-N 3.38Å; C285-G287 VanDerWaalsContact SG-N 3.4Å; C285-C288 PolarHBondContact O-N 2.9Å; C285-C288 VanDerWaalsContact SG-SG 3.68Å; C285-M289 VanDerWaalsContact O-CA 3.25Å; C285-M289 WeakPolarHBondContact O-CA 3.46Å; C285-M289 PolarHBondContact O-N 3.36Å; C285-V291 HydrophobicContact CB-CG2 4.44Å; C285-V291 VanDerWaalsContact CB-O 3.3Å; C285-V291 WeakPolarHBondContact CB-O 3.5Å; C285-V291 PolarHBondContact N-O 3.05Å; C285-M317 WeakPolarHBondContact CA-O 3.45Å; C285-C319 HydrophobicContact CB-CB 3.86Å; C285-C319 PolarHBondContact SG-N 2.87Å; C285-C319 VanDerWaalsContact SG-SG 3.64Å
286I94.5Very high88.4Confident73 Ų7373.7 Ų73.737%0.37443%0.43SS..THydrogen-bonded Turntrans-66.2-22-17769.2176.8000113.9S284 M317 W318S284-I286 PolarHBondContact O-N 3.45Å; I286-M317 HydrophobicContact CD1-CB 4.36Å; I286-M317 HydrophobicContact CG2-CB 4.29Å; I286-M317 PolarHBondContact N-O 3.46Å; I286-W318 HydrophobicContact CD1-CD2 4.39Å; I286-W318 VanDerWaalsContact CD1-CE2 3.47Å; I286-W318 HydrophobicContact CD1-CH2 4.4Å; I286-W318 HydrophobicContact CD1-CZ2 3.48Å; I286-W318 VanDerWaalsContact CD1-CZ2 3.48Å; I286-W318 HydrophobicContact CG1-CD2 3.88Å; I286-W318 VanDerWaalsContact CG1-CE2 3.42Å; I286-W318 HydrophobicContact CG1-CE3 4.36Å; I286-W318 HydrophobicContact CG1-CG 4.41Å; I286-W318 HydrophobicContact CG1-CH2 4.06Å; I286-W318 HydrophobicContact CG1-CZ2 3.52Å; I286-W318 HydrophobicContact CG1-CZ3 4.45Å
287G91.6Very high89Confident42 Ų4271.5 Ų71.543%0.43342%0.418SS..THydrogen-bonded Turntrans-76.3-49.1178.500000114.7C285C285-G287 PolarHBondContact O-N 3.48Å; C285-G287 VanDerWaalsContact O-N 3.15Å; C285-G287 PolarHBondContact SG-N 3.38Å; C285-G287 VanDerWaalsContact SG-N 3.4Å
288C93.5Very high89.6Confident40 Ų4069.5 Ų69.527%0.2740%0.404SS..THydrogen-bonded Turntrans-106.9-21-176.961.40000114.2C285 Q290 C322C285-C288 PolarHBondContact O-N 2.9Å; C285-C288 VanDerWaalsContact SG-SG 3.68Å; C288-Q290 HydrophobicContact CB-CB 4.45Å; C288-Q290 WeakPolarHBondContact O-CG 3.31Å; C288-Q290 PolarHBondContact O-N 2.85Å; C288-C322 VanDerWaalsContact CB-SG 3.56Å
289M93Very high90.5Very high150 Ų15067.6 Ų67.674%0.73938%0.377SS*.SBendtrans54.718.2-174.5-57-178.1175.100114.9C285C285-M289 VanDerWaalsContact O-CA 3.25Å; C285-M289 WeakPolarHBondContact O-CA 3.46Å; C285-M289 PolarHBondContact O-N 3.36Å
290Q92.9Very high91.4Very high169 Ų16966.4 Ų66.479%0.7935%0.351SS*.SBendtrans-107.4-28.6-175.2-75.7177.24.800113.8C288C288-Q290 HydrophobicContact CB-CB 4.45Å; C288-Q290 WeakPolarHBondContact O-CG 3.31Å; C288-Q290 PolarHBondContact O-N 2.85Å
291V93.9Very high91.9Very high66 Ų6664.1 Ų64.140%0.434%0.341SS..SBendtrans-132155-175.2-630000109.8C285 C319C285-V291 HydrophobicContact CB-CG2 4.44Å; C285-V291 VanDerWaalsContact CB-O 3.3Å; C285-V291 WeakPolarHBondContact CB-O 3.5Å; C285-V291 PolarHBondContact N-O 3.05Å; V291-C319 HydrophobicContact CG2-CB 3.53Å
292P93.3Very high91.4Very high78 Ų7864.9 Ų64.951%0.50635%0.345SS..BIsolated β-bridgetrans-59149.9172.725.1-34.4000111.2N294P292-N294 PolarHBondContact O-N 3.15Å
293A93.9Very high90.2Very high0 Ų067.4 Ų67.40%036%0.355CS..  trans-62.6126.8170.100000109.4L282 E283 M317L282-A293 WeakPolarHBondContact CD1-O 3.33Å; L282-A293 VanDerWaalsContact CD2-O 3.29Å; L282-A293 WeakPolarHBondContact CD2-O 3.38Å; E283-A293 WeakPolarHBondContact O-CB 3.41Å; E283-A293 PolarHBondContact O-N 2.88Å; A293-M317 VanDerWaalsContact CB-C 3.46Å
294N94.5Very high88.6Confident55 Ų5570.3 Ų70.329%0.29437%0.369SS..  trans-133.925.7-176.574.7-23000112.1P292 W318 C319 L320 V361P292-N294 PolarHBondContact O-N 3.15Å; N294-W318 PolarHBondContact N-O 2.9Å; N294-W318 VanDerWaalsContact N-O 3.11Å; N294-C319 WeakPolarHBondContact OD1-CA 3.25Å; N294-C319 WeakPolarHBondContact OD1-CB 3.48Å; N294-L320 PolarHBondContact OD1-N 2.95Å; N294-V361 PolarHBondContact O-N 3.38Å
295T94.3Very high86.8Confident3 Ų368.7 Ų68.72%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-141.4134-177.8-54.10000111.4P316 W318 L320 M323 V358 C359T295-P316 WeakPolarHBondContact O-CA 3.24Å; T295-W318 WeakPolarHBondContact CB-O 3.34Å; T295-W318 PolarHBondContact N-O 3.27Å; T295-W318 VanDerWaalsContact N-O 3.14Å; T295-L320 HydrophobicContact CG2-CD1 4.5Å; T295-L320 WeakPolarHBondContact OG1-CA 3.27Å; T295-L320 PolarHBondContact OG1-N 2.93Å; T295-M323 HydrophobicContact CG2-CB 4.37Å; T295-M323 HydrophobicContact CG2-CG 4.33Å; T295-V358 HydrophobicContact CG2-CG1 3.38Å; T295-C359 WeakPolarHBondContact CA-O 3.23Å
296K94.8Very high84.2Confident14 Ų1478.7 Ų78.76%0.06141%0.411CS..EExtended strand (participates in β ladder)trans-126.2137.1176.4-179.657.9177.4155.40109.6Y274 C312 P316 C359 V361Y274-K296 HydrophobicContact CD1-CB 4.01Å; Y274-K296 HydrophobicContact CD1-CG 3.98Å; Y274-K296 HydrophobicContact CD2-CG 3.99Å; Y274-K296 HydrophobicContact CE1-CG 4.2Å; Y274-K296 HydrophobicContact CE2-CG 4.24Å; Y274-K296 HydrophobicContact CG-CB 3.95Å; Y274-K296 HydrophobicContact CG-CG 3.86Å; K296-C312 PolarHBondContact NZ-O 2.91Å; K296-P316 HydrophobicContact CB-CG 4.26Å; K296-P316 HydrophobicContact CD-CG 4.22Å; K296-C359 PolarHBondContact N-O 3.2Å; K296-C359 WeakPolarHBondContact O-CB 3.26Å; K296-C359 PolarHBondContact O-N 2.82Å; K296-V361 HydrophobicContact CB-CG2 3.74Å
297L94.8Very high82.6Confident8 Ų877.1 Ų77.14%0.04241%0.412CS..EExtended strand (participates in β ladder)trans-91.4125.2170.7-57.9179.8000109.3C312 M323 C346 F353 D357 V358L297-C312 HydrophobicContact CB-CB 3.8Å; L297-M323 HydrophobicContact CD1-CE 4.25Å; L297-M323 HydrophobicContact CD2-CE 4.4Å; L297-M323 HydrophobicContact CD2-SD 4.46Å; L297-M323 HydrophobicContact CG-CE 4.33Å; L297-C346 HydrophobicContact CD1-CB 3.91Å; L297-F353 HydrophobicContact CD1-CB 4.49Å; L297-F353 HydrophobicContact CD1-CD1 3.55Å; L297-F353 HydrophobicContact CD1-CD2 4.22Å; L297-F353 HydrophobicContact CD1-CE1 3.69Å; L297-F353 HydrophobicContact CD1-CE2 4.35Å; L297-F353 HydrophobicContact CD1-CG 3.84Å; L297-F353 HydrophobicContact CD1-CZ 4.1Å; L297-F353 HydrophobicContact CD2-CD1 4.42Å; L297-F353 HydrophobicContact CD2-CD2 3.55Å; L297-F353 HydrophobicContact CD2-CE1 4.47Å; L297-F353 HydrophobicContact CD2-CE2 3.64Å; L297-F353 HydrophobicContact CD2-CG 3.98Å; L297-F353 HydrophobicContact CD2-CZ 4.11Å; L297-F353 HydrophobicContact CG-CD2 4.48Å; L297-F353 HydrophobicContact CG-CG 4.46Å; L297-D357 WeakPolarHBondContact CA-O 3.36Å; L297-V358 HydrophobicContact CD2-CB 4.35Å; L297-V358 HydrophobicContact CD2-CG1 4.42Å; L297-V358 HydrophobicContact CD2-CG2 3.8Å
298L92.4Very high81.9Confident46 Ų4677.9 Ų77.924%0.24141%0.405CS..  trans-139.3130.4178-178.166.8000107.6L300 D357L298-L300 HydrophobicContact CB-CG 4.48Å; L298-L300 HydrophobicContact CD2-CD2 3.87Å; L298-L300 HydrophobicContact CD2-CG 4.31Å; L298-L300 HydrophobicContact CG-CD2 4.17Å; L298-L300 HydrophobicContact CG-CG 4.31Å; L298-L300 PolarHBondContact O-N 3.26Å; L298-D357 PolarHBondContact N-O 2.89Å; L298-D357 CarbonylContact O-C 3.51Å; L298-D357 WeakPolarHBondContact O-CA 3.27Å; L298-D357 WeakPolarHBondContact O-CB 3.32Å
299R90.9Very high81.6Confident90 Ų9076 Ų7634%0.3439%0.392SS..  trans-68.5109.9179.5-177.6-176.8170.4166.42.7108.9E308 C309 D357R299-E308 IonicContact CZ-OE2 3.74Å; R299-E308 IonicContact NH1-OE2 3.62Å; R299-E308 PolarHBondContact NH1-OE2 3.33Å; R299-E308 IonicContact NH2-OE2 3.22Å; R299-E308 PolarHBondContact NH2-OE2 2.85Å; R299-C309 WeakPolarHBondContact CD-O 3.25Å; R299-C309 PolarHBondContact NH1-O 3.31Å; R299-D357 WeakPolarHBondContact CA-OD1 3.26Å
300L87.3Confident81.5Confident56 Ų5674 Ų7429%0.29338%0.381SS..  trans-120.2-19.3179.5-67.1178.9000111.9Q272 L298 D357 C359Q272-L300 HydrophobicContact CB-CD1 3.96Å; L298-L300 HydrophobicContact CB-CG 4.48Å; L298-L300 HydrophobicContact CD2-CD2 3.87Å; L298-L300 HydrophobicContact CD2-CG 4.31Å; L298-L300 HydrophobicContact CG-CD2 4.17Å; L298-L300 HydrophobicContact CG-CG 4.31Å; L298-L300 PolarHBondContact O-N 3.26Å; L300-D357 PolarHBondContact N-OD1 2.93Å; L300-C359 VanDerWaalsContact CD1-SG 3.53Å
301C85.6Confident81.5Confident12 Ų1269 Ų698%0.08136%0.357CS..  trans-69.5139.6175.367.30000112.2C309 L356 D357C301-C309 VanDerWaalsContact SG-CB 3.51Å; C301-L356 HydrophobicContact CB-CB 4.35Å; C301-L356 HydrophobicContact CB-CD1 4.28Å; C301-D357 PolarHBondContact N-OD1 3.13Å; C301-D357 VanDerWaalsContact N-OD1 3.09Å; C301-D357 PolarHBondContact SG-OD1 3.03Å; C301-D357 VanDerWaalsContact SG-OD1 3.39Å
302Q70.8Confident81.4Confident197 Ų19766.1 Ų66.192%0.92134%0.34SS*.  trans-104.858.5180-66.5-179.7-1.600111.9
303E62.6Low81.4Confident107 Ų10771.6 Ų71.650%0.535%0.352SS..  trans-114.6131.2174.8-71.5-174.4-160.500110.8E308 R343E303-E308 VanDerWaalsContact O-CG 3.25Å; E303-E308 WeakPolarHBondContact O-CG 3.39Å; E303-R343 IonicContact OE2-CZ 2.67Å; E303-R343 IonicContact OE2-NH2 2.81Å; E303-R343 PolarHBondContact OE2-NH2 3.08Å
304E55.5Low81.3Confident195 Ų19573 Ų7391%0.91136%0.361SS*.  trans-106119.6175-64.8-177.8172.300109.4E308E304-E308 VanDerWaalsContact CA-OE1 3.29Å; E304-E308 WeakPolarHBondContact CA-OE1 3.45Å
305G55.8Low81.2Confident41 Ų4178.9 Ų78.942%0.42338%0.379SS..SBendtrans165.6156.7-179.200000115.5G307 E308G305-G307 PolarHBondContact O-N 3.47Å; G305-E308 PolarHBondContact N-OE1 2.79Å; G305-E308 WeakPolarHBondContact O-CB 3.36Å; G305-E308 WeakPolarHBondContact O-CG 3.25Å; G305-E308 PolarHBondContact O-N 3.43Å; G305-E308 VanDerWaalsContact O-OE1 3.09Å
306E43Very low81.1Confident211 Ų21179.1 Ų79.199%0.98638%0.381SS*.THydrogen-bonded Turntrans-62128.5176.5-75.4-170.9157.400112.4
307G59.5Low81.1Confident40 Ų4080.5 Ų80.541%0.41239%0.388SS..THydrogen-bonded Turntrans1005.9-173.400000114.8G305 R343G305-G307 PolarHBondContact O-N 3.47Å; G307-R343 WeakPolarHBondContact O-CD 3.33Å
308E76.6Confident81.1Confident57 Ų5782 Ų8227%0.26639%0.394SS..  trans-47154177-105.3173.3-115.700116.5R299 E303 E304 G305R299-E308 IonicContact CZ-OE2 3.74Å; R299-E308 IonicContact NH1-OE2 3.62Å; R299-E308 PolarHBondContact NH1-OE2 3.33Å; R299-E308 IonicContact NH2-OE2 3.22Å; R299-E308 PolarHBondContact NH2-OE2 2.85Å; E303-E308 VanDerWaalsContact O-CG 3.25Å; E303-E308 WeakPolarHBondContact O-CG 3.39Å; E304-E308 VanDerWaalsContact CA-OE1 3.29Å; E304-E308 WeakPolarHBondContact CA-OE1 3.45Å; G305-E308 PolarHBondContact N-OE1 2.79Å; G305-E308 WeakPolarHBondContact O-CB 3.36Å; G305-E308 WeakPolarHBondContact O-CG 3.25Å; G305-E308 PolarHBondContact O-N 3.43Å; G305-E308 VanDerWaalsContact O-OE1 3.09Å
309C87.8Confident81.3Confident1 Ų180.1 Ų80.11%0.00738%0.384CS..  trans-66.5139.9166.8-61.70000110.5R299 C301 K352 C354 D357R299-C309 WeakPolarHBondContact CD-O 3.25Å; R299-C309 PolarHBondContact NH1-O 3.31Å; C301-C309 VanDerWaalsContact SG-CB 3.51Å; C309-K352 CarbonylContact C-O 3.49Å; C309-K352 VanDerWaalsContact CA-O 3.3Å; C309-K352 WeakPolarHBondContact CA-O 3.22Å; C309-C354 PolarHBondContact SG-N 2.67Å; C309-D357 WeakPolarHBondContact CB-OD2 3.36Å; C309-D357 PolarHBondContact SG-OD2 3.1Å
310Q91.4Very high81.5Confident108 Ų10876.5 Ų76.551%0.50537%0.371SS..  trans-112.3149.4-174.5-66.2175.3-20.100110.3C312 A351 K352Q310-C312 PolarHBondContact O-N 3.5Å; Q310-A351 HydrophobicContact CB-CB 4.1Å; Q310-K352 PolarHBondContact N-O 3.25Å
311Q91.8Very high81.8Confident64 Ų6476.1 Ų76.130%0.29937%0.371SS..  trans-65.4123.5176.1-178.455.241.800110.7Y313Q311-Y313 HydrophobicContact CB-CE2 4.2Å; Q311-Y313 HydrophobicContact CG-CE1 3.91Å; Q311-Y313 HydrophobicContact CG-CE2 3.91Å
312C93.4Very high82.3Confident5 Ų576.4 Ų76.43%0.03437%0.373CS..  trans-99.4118.7-179.6-176.60000111.8K296 L297 Q310 C314 A351K296-C312 PolarHBondContact NZ-O 2.91Å; L297-C312 HydrophobicContact CB-CB 3.8Å; Q310-C312 PolarHBondContact O-N 3.5Å; C312-C314 VanDerWaalsContact SG-CB 3.6Å; C312-A351 HydrophobicContact CB-CB 4.22Å
313Y92.4Very high83.4Confident194 Ų19467.2 Ų67.276%0.76133%0.33SS*.  trans-91.65.3-177.8-62.6-80.1000114.3Q311 R315Q311-Y313 HydrophobicContact CB-CE2 4.2Å; Q311-Y313 HydrophobicContact CG-CE1 3.91Å; Q311-Y313 HydrophobicContact CG-CE2 3.91Å; Y313-R315 PolarHBondContact O-N 3.45Å
314C92.2Very high84.9Confident28 Ų2862.1 Ų62.119%0.18931%0.307CS..  trans-70.412.6-160.4-89.10000121.7C312 M317 C349C312-C314 VanDerWaalsContact SG-CB 3.6Å; C314-M317 HydrophobicContact CB-CE 3.91Å; C314-M317 WeakPolarHBondContact O-CE 3.39Å; C314-C349 WeakPolarHBondContact SG-CB 3.22Å; C314-C349 PolarHBondContact SG-SG 3.05Å
315R92.2Very high86.7Confident179 Ų17958.6 Ų58.668%0.67529%0.288SS*.  trans51.6160.7-164.4-51.8-173-171.6-175.92.4114.6Y313 M317Y313-R315 PolarHBondContact O-N 3.45Å; R315-M317 PolarHBondContact O-N 3.32Å
316P92.8Very high88.5Confident8 Ų859.6 Ų59.65%0.05228%0.279CS..SBendtrans-75.7116.2169.7-13.730.4000109.8L282 T295 K296 V361L282-P316 HydrophobicContact CD2-CB 3.85Å; L282-P316 HydrophobicContact CD2-CG 4.13Å; T295-P316 WeakPolarHBondContact O-CA 3.24Å; K296-P316 HydrophobicContact CB-CG 4.26Å; K296-P316 HydrophobicContact CD-CG 4.22Å; P316-V361 HydrophobicContact CB-CG2 4.06Å; P316-V361 HydrophobicContact CG-CG2 3.98Å
317M93.8Very high90.9Very high44 Ų4449.5 Ų49.522%0.21723%0.232CC..  trans-129.9-4.2-179.5-64.2178.7-62.800113.3C285 I286 A293 C314 R315 T348C285-M317 WeakPolarHBondContact CA-O 3.45Å; I286-M317 HydrophobicContact CD1-CB 4.36Å; I286-M317 HydrophobicContact CG2-CB 4.29Å; I286-M317 PolarHBondContact N-O 3.46Å; A293-M317 VanDerWaalsContact CB-C 3.46Å; C314-M317 HydrophobicContact CB-CE 3.91Å; C314-M317 WeakPolarHBondContact O-CE 3.39Å; R315-M317 PolarHBondContact O-N 3.32Å; M317-T348 HydrophobicContact CE-CG2 3.66Å; M317-T348 WeakPolarHBondContact CE-OG1 3.3Å
318W96Very high92.4Very high40 Ų4047.7 Ų47.715%0.15221%0.213CC..BIsolated β-bridgetrans-125.8147.3-174.3-66.382.4000109.9I286 N294 T295 C322 M323 P347 T348I286-W318 HydrophobicContact CD1-CD2 4.39Å; I286-W318 VanDerWaalsContact CD1-CE2 3.47Å; I286-W318 HydrophobicContact CD1-CH2 4.4Å; I286-W318 HydrophobicContact CD1-CZ2 3.48Å; I286-W318 VanDerWaalsContact CD1-CZ2 3.48Å; I286-W318 HydrophobicContact CG1-CD2 3.88Å; I286-W318 VanDerWaalsContact CG1-CE2 3.42Å; I286-W318 HydrophobicContact CG1-CE3 4.36Å; I286-W318 HydrophobicContact CG1-CG 4.41Å; I286-W318 HydrophobicContact CG1-CH2 4.06Å; I286-W318 HydrophobicContact CG1-CZ2 3.52Å; I286-W318 HydrophobicContact CG1-CZ3 4.45Å; N294-W318 PolarHBondContact N-O 2.9Å; N294-W318 VanDerWaalsContact N-O 3.11Å; T295-W318 WeakPolarHBondContact CB-O 3.34Å; T295-W318 PolarHBondContact N-O 3.27Å; T295-W318 VanDerWaalsContact N-O 3.14Å; W318-C322 HydrophobicContact CE3-CB 3.72Å; W318-C322 HydrophobicContact CZ3-CB 4.17Å; W318-M323 HydrophobicContact CB-CE 3.77Å; W318-M323 HydrophobicContact CD2-CE 4.48Å; W318-M323 HydrophobicContact CG-CE 3.79Å; W318-P347 HydrophobicContact CD2-CG 4.05Å; W318-P347 HydrophobicContact CH2-CB 4.02Å; W318-P347 HydrophobicContact CH2-CG 4.25Å; W318-P347 HydrophobicContact CZ2-CB 3.46Å; W318-P347 VanDerWaalsContact CZ2-CB 3.46Å; W318-P347 HydrophobicContact CZ2-CG 3.51Å; W318-T348 PolarHBondContact NE1-OG1 3.23Å
319C95.9Very high93.1Very high5 Ų548 Ų483%0.03422%0.222CC..  trans-85.9158.6165.776.10000111C285 V291 N294 T321 C322 M323C285-C319 HydrophobicContact CB-CB 3.86Å; C285-C319 PolarHBondContact SG-N 2.87Å; C285-C319 VanDerWaalsContact SG-SG 3.64Å; V291-C319 HydrophobicContact CG2-CB 3.53Å; N294-C319 WeakPolarHBondContact OD1-CA 3.25Å; N294-C319 WeakPolarHBondContact OD1-CB 3.48Å; C319-T321 VanDerWaalsContact C-N 3.26Å; C319-T321 PolarHBondContact O-N 2.8Å; C319-C322 PolarHBondContact O-N 2.93Å; C319-C322 VanDerWaalsContact O-N 3.09Å; C319-M323 PolarHBondContact O-N 3.49Å
320L95.1Very high93.2Very high15 Ų1554.6 Ų54.68%0.07925%0.247CC..Hα-helixtrans-57.5-40.4-174.5-175.861.1000112.2F264 K265 V268 N294 T295 M323 G324 V358 I360F264-L320 HydrophobicContact CD1-CD1 4.34Å; F264-L320 HydrophobicContact CE1-CD1 3.79Å; K265-L320 HydrophobicContact CB-CD2 4.23Å; K265-L320 HydrophobicContact CG-CD2 3.78Å; K265-L320 HydrophobicContact CG-CG 4Å; V268-L320 HydrophobicContact CB-CD1 4.03Å; V268-L320 HydrophobicContact CG1-CD1 3.58Å; V268-L320 HydrophobicContact CG2-CD1 4.31Å; N294-L320 PolarHBondContact OD1-N 2.95Å; T295-L320 HydrophobicContact CG2-CD1 4.5Å; T295-L320 WeakPolarHBondContact OG1-CA 3.27Å; T295-L320 PolarHBondContact OG1-N 2.93Å; L320-M323 PolarHBondContact O-N 3.47Å; L320-G324 PolarHBondContact O-N 2.91Å; L320-V358 HydrophobicContact CD1-CG1 4.33Å; L320-I360 HydrophobicContact CD2-CD1 4.36Å
321T93.9Very high93.1Very high48 Ų4850.2 Ų50.229%0.29423%0.226SC..Hα-helixtrans-64.8-44.6178.1-57.10000111.8K265 C319 G324 K325K265-T321 VanDerWaalsContact CE-OG1 3.24Å; K265-T321 WeakPolarHBondContact CE-OG1 3.34Å; K265-T321 PolarHBondContact NZ-OG1 2.97Å; C319-T321 VanDerWaalsContact C-N 3.26Å; C319-T321 PolarHBondContact O-N 2.8Å; T321-G324 PolarHBondContact O-N 3.44Å; T321-K325 WeakPolarHBondContact O-CG 3.42Å; T321-K325 PolarHBondContact O-N 2.73Å
322C94.9Very high92.6Very high18 Ų1850.6 Ų50.612%0.12223%0.23CC..Hα-helixtrans-69.1-36.6178.4-72.80000112C288 W318 C319 K325 W326C288-C322 VanDerWaalsContact CB-SG 3.56Å; W318-C322 HydrophobicContact CE3-CB 3.72Å; W318-C322 HydrophobicContact CZ3-CB 4.17Å; C319-C322 PolarHBondContact O-N 2.93Å; C319-C322 VanDerWaalsContact O-N 3.09Å; C322-K325 PolarHBondContact O-N 3.05Å; C322-W326 WeakPolarHBondContact O-CB 3.39Å; C322-W326 PolarHBondContact O-N 3.5Å
323M95.5Very high91.8Very high4 Ų455.5 Ų55.52%0.0225%0.252CS..Hα-helixtrans-63.9-44.9174.7-1725969.900111.4F264 T295 L297 W318 C319 L320 K325 W326 F327 P347 F353F264-M323 HydrophobicContact CZ-CG 4.37Å; T295-M323 HydrophobicContact CG2-CB 4.37Å; T295-M323 HydrophobicContact CG2-CG 4.33Å; L297-M323 HydrophobicContact CD1-CE 4.25Å; L297-M323 HydrophobicContact CD2-CE 4.4Å; L297-M323 HydrophobicContact CD2-SD 4.46Å; L297-M323 HydrophobicContact CG-CE 4.33Å; W318-M323 HydrophobicContact CB-CE 3.77Å; W318-M323 HydrophobicContact CD2-CE 4.48Å; W318-M323 HydrophobicContact CG-CE 3.79Å; C319-M323 PolarHBondContact O-N 3.49Å; L320-M323 PolarHBondContact O-N 3.47Å; M323-K325 VanDerWaalsContact C-N 3.33Å; M323-K325 PolarHBondContact O-N 3.39Å; M323-W326 WeakPolarHBondContact O-CB 3.28Å; M323-W326 PolarHBondContact O-N 3.4Å; M323-F327 WeakPolarHBondContact O-CB 3.37Å; M323-F327 PolarHBondContact O-N 2.91Å; M323-P347 HydrophobicContact CE-CG 4.19Å; M323-P347 HydrophobicContact SD-CG 4.44Å; M323-F353 HydrophobicContact CG-CZ 4.4Å; M323-F353 HydrophobicContact SD-CE1 4.31Å; M323-F353 HydrophobicContact SD-CE2 4.29Å; M323-F353 HydrophobicContact SD-CZ 3.6Å; M323-F353 VanDerWaalsContact SD-CZ 3.6Å
324G93.9Very high90.8Very high0 Ų054.5 Ų54.50%026%0.255CS..Hα-helixtrans-61.4-39.7174.500000112.6F264 L320 T321 F327 A328F264-G324 VanDerWaalsContact CE1-CA 3.5Å; L320-G324 PolarHBondContact O-N 2.91Å; T321-G324 PolarHBondContact O-N 3.44Å; G324-F327 WeakPolarHBondContact O-CB 3.48Å; G324-F327 PolarHBondContact O-N 3.27Å; G324-A328 PolarHBondContact O-N 2.94Å
325K92Very high89.9Confident120 Ų12058.3 Ų58.352%0.52227%0.268SS..Hα-helixtrans-64.8-43.2177.1-78179.9179.2-175.90111.1L261 T321 C322 M323 F327 A328 S329L261-K325 HydrophobicContact CD1-CD 4.49Å; L261-K325 HydrophobicContact CD1-CG 3.72Å; L261-K325 HydrophobicContact CD2-CB 4.48Å; L261-K325 HydrophobicContact CD2-CG 3.86Å; L261-K325 VanDerWaalsContact CD2-N 3.3Å; L261-K325 HydrophobicContact CG-CG 4.37Å; T321-K325 WeakPolarHBondContact O-CG 3.42Å; T321-K325 PolarHBondContact O-N 2.73Å; C322-K325 PolarHBondContact O-N 3.05Å; M323-K325 VanDerWaalsContact C-N 3.33Å; M323-K325 PolarHBondContact O-N 3.39Å; K325-F327 VanDerWaalsContact C-N 3.34Å; K325-A328 PolarHBondContact O-N 2.93Å; K325-S329 WeakPolarHBondContact O-CB 3.34Å; K325-S329 PolarHBondContact O-N 3.42Å
326W94.3Very high89Confident62 Ų6250.9 Ų50.924%0.23524%0.243CC..Hα-helixtrans-59.4-47.7173.7176.6-102.4000111.1C322 M323 A328 S329 R330 P345 P347C322-W326 WeakPolarHBondContact O-CB 3.39Å; C322-W326 PolarHBondContact O-N 3.5Å; M323-W326 WeakPolarHBondContact O-CB 3.28Å; M323-W326 PolarHBondContact O-N 3.4Å; W326-A328 PolarHBondContact O-N 3.42Å; W326-S329 PolarHBondContact O-N 3.42Å; W326-S329 PolarHBondContact O-OG 3.28Å; W326-R330 HydrophobicContact CD2-CG 4.48Å; W326-R330 VanDerWaalsContact CH2-NH2 3.33Å; W326-R330 HydrophobicContact CZ2-CG 4.26Å; W326-R330 VanDerWaalsContact CZ3-NH2 3.34Å; W326-R330 WeakPolarHBondContact O-CG 3.4Å; W326-R330 PolarHBondContact O-N 3.49Å; W326-P345 PolarHBondContact NE1-O 3.43Å; W326-P347 HydrophobicContact CD2-CB 3.82Å; W326-P347 HydrophobicContact CE3-CB 4.34Å; W326-P347 HydrophobicContact CG-CB 4.1Å; W326-P347 HydrophobicContact CG-CG 4.32Å; W326-P347 HydrophobicContact CH2-CB 4.49Å; W326-P347 HydrophobicContact CZ2-CB 4.03Å
327F94.4Very high88.1Confident0 Ų056.6 Ų56.60%027%0.269CS..Hα-helixtrans-56.6-51.5178.7-165.1-70.6000111.2F260 F264 M323 G324 K325 S329 R330 Q331 W339 N342 V344 F353F260-F327 HydrophobicContact CE1-CB 4.28Å; F260-F327 AromaticContact CE1-CD1 3.99Å; F260-F327 HydrophobicContact CE1-CD1 3.99Å; F260-F327 HydrophobicContact CE1-CG 4.47Å; F260-F327 HydrophobicContact CE2-CD1 4.17Å; F260-F327 HydrophobicContact CE2-CE1 4.29Å; F260-F327 HydrophobicContact CZ-CB 4.37Å; F260-F327 AromaticContact CZ-CD1 3.31Å; F260-F327 HydrophobicContact CZ-CD1 3.31Å; F260-F327 AromaticContact CZ-CE1 3.79Å; F260-F327 HydrophobicContact CZ-CE1 3.79Å; F260-F327 HydrophobicContact CZ-CG 4.07Å; F264-F327 HydrophobicContact CE2-CB 4.16Å; F264-F327 AromaticContact CE2-CD2 3.9Å; F264-F327 HydrophobicContact CE2-CD2 3.9Å; F264-F327 HydrophobicContact CE2-CE2 4.47Å; F264-F327 AromaticContact CE2-CG 4Å; F264-F327 HydrophobicContact CE2-CG 4Å; M323-F327 WeakPolarHBondContact O-CB 3.37Å; M323-F327 PolarHBondContact O-N 2.91Å; G324-F327 WeakPolarHBondContact O-CB 3.48Å; G324-F327 PolarHBondContact O-N 3.27Å; K325-F327 VanDerWaalsContact C-N 3.34Å; F327-S329 VanDerWaalsContact C-N 3.32Å; F327-S329 PolarHBondContact O-N 3.19Å; F327-R330 PolarHBondContact O-N 2.96Å; F327-Q331 HydrophobicContact CD1-CG 4.37Å; F327-Q331 HydrophobicContact CE1-CG 4.49Å; F327-Q331 WeakPolarHBondContact O-CG 3.49Å; F327-Q331 PolarHBondContact O-NE2 3.34Å; F327-W339 VanDerWaalsContact CE1-O 3.28Å; F327-W339 WeakPolarHBondContact CE1-O 3.37Å; F327-N342 WeakPolarHBondContact CZ-O 3.49Å; F327-V344 HydrophobicContact CB-CG2 4.36Å; F327-V344 HydrophobicContact CD1-CG1 4.21Å; F327-V344 HydrophobicContact CD2-CB 4.42Å; F327-V344 HydrophobicContact CD2-CG1 4.18Å; F327-V344 HydrophobicContact CD2-CG2 3.36Å; F327-V344 HydrophobicContact CE1-CG1 4.29Å; F327-V344 HydrophobicContact CE2-CG1 4.24Å; F327-V344 HydrophobicContact CE2-CG2 3.76Å; F327-V344 HydrophobicContact CG-CG1 4.16Å; F327-V344 HydrophobicContact CG-CG2 3.92Å; F327-V344 HydrophobicContact CZ-CG1 4.31Å; F327-F353 AromaticContact CD2-CE2 3.76Å; F327-F353 HydrophobicContact CD2-CE2 3.76Å; F327-F353 HydrophobicContact CD2-CZ 4.03Å; F327-F353 HydrophobicContact CE2-CE2 4.15Å
328A90.6Very high87.6Confident2 Ų256.9 Ų56.92%0.01727%0.273CS..Hα-helixtrans-59-40.5177.600000112.8F260 G324 K325 W326 R330 Q331 Q333 W339F260-A328 HydrophobicContact CD1-CB 3.65Å; F260-A328 HydrophobicContact CE1-CB 3.92Å; F260-A328 HydrophobicContact CG-CB 4.39Å; G324-A328 PolarHBondContact O-N 2.94Å; K325-A328 PolarHBondContact O-N 2.93Å; W326-A328 PolarHBondContact O-N 3.42Å; A328-R330 PolarHBondContact O-N 3.44Å; A328-Q331 WeakPolarHBondContact O-CB 3.44Å; A328-Q331 PolarHBondContact O-N 2.81Å; A328-Q331 VanDerWaalsContact O-N 3.16Å; A328-Q333 PolarHBondContact O-NE2 2.95Å; A328-Q333 VanDerWaalsContact O-NE2 3.15Å; A328-W339 HydrophobicContact CB-CE3 4.38Å; A328-W339 HydrophobicContact CB-CZ3 4Å
329S90Very high87.1Confident64 Ų6455.2 Ų55.245%0.44827%0.267SS..Hα-helixtrans-65.2-19-178.6770000114.2K325 W326 F327K325-S329 WeakPolarHBondContact O-CB 3.34Å; K325-S329 PolarHBondContact O-N 3.42Å; W326-S329 PolarHBondContact O-N 3.42Å; W326-S329 PolarHBondContact O-OG 3.28Å; F327-S329 VanDerWaalsContact C-N 3.32Å; F327-S329 PolarHBondContact O-N 3.19Å
330R90.9Very high86.6Confident139 Ų13958.2 Ų58.253%0.52528%0.282SS..THydrogen-bonded Turntrans-96.61.1-179.5-62.7-66.5148.4-161.8-5.8113W326 F327 A328 V344W326-R330 HydrophobicContact CD2-CG 4.48Å; W326-R330 VanDerWaalsContact CH2-NH2 3.33Å; W326-R330 HydrophobicContact CZ2-CG 4.26Å; W326-R330 VanDerWaalsContact CZ3-NH2 3.34Å; W326-R330 WeakPolarHBondContact O-CG 3.4Å; W326-R330 PolarHBondContact O-N 3.49Å; F327-R330 PolarHBondContact O-N 2.96Å; A328-R330 PolarHBondContact O-N 3.44Å; R330-V344 HydrophobicContact CB-CB 4.08Å; R330-V344 HydrophobicContact CB-CG1 3.73Å
331Q88.1Confident86.1Confident15 Ų1560.4 Ų60.47%0.0731%0.308CS..SBendtrans-90156.8179-56.4-57.5-29.700112.4F327 A328 Q333 W339 N342F327-Q331 HydrophobicContact CD1-CG 4.37Å; F327-Q331 HydrophobicContact CE1-CG 4.49Å; F327-Q331 WeakPolarHBondContact O-CG 3.49Å; F327-Q331 PolarHBondContact O-NE2 3.34Å; A328-Q331 WeakPolarHBondContact O-CB 3.44Å; A328-Q331 PolarHBondContact O-N 2.81Å; A328-Q331 VanDerWaalsContact O-N 3.16Å; Q331-Q333 PolarHBondContact O-N 3.42Å; Q331-Q333 PolarHBondContact O-NE2 2.93Å; Q331-W339 HydrophobicContact CB-CB 4.5Å; Q331-W339 HydrophobicContact CB-CD2 3.69Å; Q331-W339 HydrophobicContact CB-CG 3.63Å; Q331-W339 HydrophobicContact CB-CZ2 4.31Å; Q331-W339 VanDerWaalsContact CB-NE1 3.27Å; Q331-W339 HydrophobicContact CG-CB 3.97Å; Q331-W339 HydrophobicContact CG-CD2 3.83Å; Q331-W339 HydrophobicContact CG-CE3 4.41Å; Q331-W339 HydrophobicContact CG-CG 3.6Å; Q331-N342 PolarHBondContact OE1-ND2 2.97Å
332D82.6Confident85.8Confident72 Ų7260.7 Ų60.739%0.38531%0.308SS..  trans-67.5110.8168.4-175.6-5.5000109.7Q334 K335 W339D332-Q334 PolarHBondContact O-N 3.4Å; D332-Q334 VanDerWaalsContact O-N 3.13Å; D332-Q334 WeakPolarHBondContact OD1-CB 3.3Å; D332-Q334 PolarHBondContact OD1-N 3.45Å; D332-K335 HydrophobicContact CB-CB 4.49Å; D332-K335 PolarHBondContact O-N 3.33Å; D332-K335 VanDerWaalsContact O-N 3.09Å; D332-W339 PolarHBondContact O-NE1 2.98Å
333Q76.9Confident85.6Confident108 Ų10864.2 Ų64.251%0.50532%0.319SS..THydrogen-bonded Turntrans-64.7-16.6-178-58.8-59.1-4600113.3A328 Q331 W339A328-Q333 PolarHBondContact O-NE2 2.95Å; A328-Q333 VanDerWaalsContact O-NE2 3.15Å; Q331-Q333 PolarHBondContact O-N 3.42Å; Q331-Q333 PolarHBondContact O-NE2 2.93Å; Q333-W339 VanDerWaalsContact OE1-CH2 3.26Å
334Q69.7Low85.5Confident173 Ų17364.1 Ų64.181%0.80832%0.318SS*.THydrogen-bonded Turntrans-86.1-12.7177.9-58.8-175.4-11.200113.1D332 P336D332-Q334 PolarHBondContact O-N 3.4Å; D332-Q334 VanDerWaalsContact O-N 3.13Å; D332-Q334 WeakPolarHBondContact OD1-CB 3.3Å; D332-Q334 PolarHBondContact OD1-N 3.45Å; Q334-P336 VanDerWaalsContact C-CD 3.5Å
335K75.1Confident85.6Confident109 Ų10966.3 Ų66.347%0.47433%0.333SS..  trans-131.160.8-175.9-65.4-174.8179.6179.10113.4D332 E337 T338D332-K335 HydrophobicContact CB-CB 4.49Å; D332-K335 PolarHBondContact O-N 3.33Å; D332-K335 VanDerWaalsContact O-N 3.09Å; K335-E337 WeakPolarHBondContact CA-OE2 3.47Å; K335-E337 WeakPolarHBondContact CB-OE1 3.46Å; K335-E337 PolarHBondContact O-N 2.97Å; K335-T338 HydrophobicContact CB-CG2 4.36Å; K335-T338 PolarHBondContact O-N 3.02Å; K335-T338 VanDerWaalsContact O-N 3.12Å; K335-T338 PolarHBondContact O-OG1 3.39Å
336P72.7Confident85.7Confident22 Ų2260.8 Ų60.814%0.14331%0.309CS..G310 helixtrans-57.9-28.3-17825.8-34.7000115.1T205 M256 Q334 T338 W339T205-P336 HydrophobicContact CG2-CG 3.46Å; T205-P336 VanDerWaalsContact CG2-CG 3.46Å; M256-P336 HydrophobicContact CE-CB 3.64Å; M256-P336 HydrophobicContact CE-CG 4.09Å; Q334-P336 VanDerWaalsContact C-CD 3.5Å; P336-T338 PolarHBondContact O-N 3.22Å; P336-W339 VanDerWaalsContact CA-CD1 3.4Å; P336-W339 HydrophobicContact CB-CD2 4.46Å; P336-W339 HydrophobicContact CB-CZ2 4.39Å; P336-W339 WeakPolarHBondContact O-CB 3.22Å; P336-W339 PolarHBondContact O-N 3.09Å; P336-W339 VanDerWaalsContact O-N 3.15Å
337E74.6Confident85.7Confident128 Ų12859.4 Ų59.460%0.59831%0.308SS*.G310 helixtrans-61.1-24.5177.169.9-72.9172.100113.3K335K335-E337 WeakPolarHBondContact CA-OE2 3.47Å; K335-E337 WeakPolarHBondContact CB-OE1 3.46Å; K335-E337 PolarHBondContact O-N 2.97Å
338T81.4Confident85.7Confident51 Ų5162.6 Ų62.631%0.31333%0.328SS..G310 helixtrans-90-10.718066.50000113.5K335 P336 L340 G341 N342K335-T338 HydrophobicContact CB-CG2 4.36Å; K335-T338 PolarHBondContact O-N 3.02Å; K335-T338 VanDerWaalsContact O-N 3.12Å; K335-T338 PolarHBondContact O-OG1 3.39Å; P336-T338 PolarHBondContact O-N 3.22Å; T338-L340 PolarHBondContact O-N 2.69Å; T338-G341 PolarHBondContact O-N 3.04Å; T338-G341 VanDerWaalsContact O-N 3.15Å; T338-N342 PolarHBondContact O-N 3.44Å; T338-N342 PolarHBondContact O-ND2 3.47Å; T338-N342 PolarHBondContact OG1-ND2 3.3Å
339W86.8Confident85.9Confident5 Ų565.4 Ų65.42%0.01935%0.347CS..G310 helixtrans-58.5-48.4-166.6-74.215000112.8F260 F327 A328 Q331 D332 Q333 P336 G341 N342F260-W339 HydrophobicContact CB-CE3 3.89Å; F260-W339 HydrophobicContact CB-CZ3 3.92Å; F260-W339 HydrophobicContact CD1-CE3 4.43Å; F260-W339 HydrophobicContact CD2-CB 4.05Å; F260-W339 HydrophobicContact CD2-CD2 4.49Å; F260-W339 AromaticContact CD2-CE3 3.63Å; F260-W339 HydrophobicContact CD2-CE3 3.63Å; F260-W339 HydrophobicContact CD2-CZ3 4.47Å; F260-W339 HydrophobicContact CE2-CB 3.93Å; F260-W339 HydrophobicContact CE2-CE3 4.29Å; F260-W339 AromaticContact CG-CE3 3.7Å; F260-W339 HydrophobicContact CG-CE3 3.7Å; F260-W339 HydrophobicContact CG-CZ3 4.11Å; F327-W339 VanDerWaalsContact CE1-O 3.28Å; F327-W339 WeakPolarHBondContact CE1-O 3.37Å; A328-W339 HydrophobicContact CB-CE3 4.38Å; A328-W339 HydrophobicContact CB-CZ3 4Å; Q331-W339 HydrophobicContact CB-CB 4.5Å; Q331-W339 HydrophobicContact CB-CD2 3.69Å; Q331-W339 HydrophobicContact CB-CG 3.63Å; Q331-W339 HydrophobicContact CB-CZ2 4.31Å; Q331-W339 VanDerWaalsContact CB-NE1 3.27Å; Q331-W339 HydrophobicContact CG-CB 3.97Å; Q331-W339 HydrophobicContact CG-CD2 3.83Å; Q331-W339 HydrophobicContact CG-CE3 4.41Å; Q331-W339 HydrophobicContact CG-CG 3.6Å; D332-W339 PolarHBondContact O-NE1 2.98Å; Q333-W339 VanDerWaalsContact OE1-CH2 3.26Å; P336-W339 VanDerWaalsContact CA-CD1 3.4Å; P336-W339 HydrophobicContact CB-CD2 4.46Å; P336-W339 HydrophobicContact CB-CZ2 4.39Å; P336-W339 WeakPolarHBondContact O-CB 3.22Å; P336-W339 PolarHBondContact O-N 3.09Å; P336-W339 VanDerWaalsContact O-N 3.15Å; W339-G341 VanDerWaalsContact C-N 3.27Å; W339-G341 PolarHBondContact O-N 3.3Å; W339-N342 PolarHBondContact O-N 2.76Å
340L84.5Confident86.1Confident67 Ų6772 Ų7235%0.35136%0.362SS..G310 helixtrans-63.6-31.5-177.4-69.1170.3000113.2F260 T263 T338 I355F260-L340 HydrophobicContact CD2-CD2 4.26Å; F260-L340 HydrophobicContact CE2-CD2 3.74Å; F260-L340 HydrophobicContact CE2-CG 4.29Å; T263-L340 HydrophobicContact CG2-CD1 3.81Å; T263-L340 HydrophobicContact CG2-CD2 4.23Å; T338-L340 PolarHBondContact O-N 2.69Å; L340-I355 HydrophobicContact CD2-CD1 3.57Å
341G84.8Confident86.2Confident61 Ų6165.8 Ų65.863%0.62934%0.34SS*.G310 helixtrans-85.3-9.6179.800000114.3T338 W339T338-G341 PolarHBondContact O-N 3.04Å; T338-G341 VanDerWaalsContact O-N 3.15Å; W339-G341 VanDerWaalsContact C-N 3.27Å; W339-G341 PolarHBondContact O-N 3.3Å
342N88.5Confident86.4Confident55 Ų5569.5 Ų69.529%0.29436%0.356SS..  trans-82.7167.5-177.2-76.7-20.9000112.7F327 Q331 T338 W339F327-N342 WeakPolarHBondContact CZ-O 3.49Å; Q331-N342 PolarHBondContact OE1-ND2 2.97Å; T338-N342 PolarHBondContact O-N 3.44Å; T338-N342 PolarHBondContact O-ND2 3.47Å; T338-N342 PolarHBondContact OG1-ND2 3.3Å; W339-N342 PolarHBondContact O-N 2.76Å
343R90.8Very high87Confident92 Ų9266.2 Ų66.235%0.34734%0.338SS..  trans-116.2141.6179.1-65.6169.9174.691.9-1.1110E303 G307 F353 C354E303-R343 IonicContact OE2-CZ 2.67Å; E303-R343 IonicContact OE2-NH2 2.81Å; E303-R343 PolarHBondContact OE2-NH2 3.08Å; G307-R343 WeakPolarHBondContact O-CD 3.33Å; R343-F353 WeakPolarHBondContact CA-O 3.35Å; R343-C354 HydrophobicContact CG-CB 4.14Å
344V93.6Very high87.8Confident1 Ų161.7 Ų61.71%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-130.1152179.4-54.60000110.7F327 R330 K352 F353F327-V344 HydrophobicContact CB-CG2 4.36Å; F327-V344 HydrophobicContact CD1-CG1 4.21Å; F327-V344 HydrophobicContact CD2-CB 4.42Å; F327-V344 HydrophobicContact CD2-CG1 4.18Å; F327-V344 HydrophobicContact CD2-CG2 3.36Å; F327-V344 HydrophobicContact CE1-CG1 4.29Å; F327-V344 HydrophobicContact CE2-CG1 4.24Å; F327-V344 HydrophobicContact CE2-CG2 3.76Å; F327-V344 HydrophobicContact CG-CG1 4.16Å; F327-V344 HydrophobicContact CG-CG2 3.92Å; F327-V344 HydrophobicContact CZ-CG1 4.31Å; R330-V344 HydrophobicContact CB-CB 4.08Å; R330-V344 HydrophobicContact CB-CG1 3.73Å; V344-K352 WeakPolarHBondContact O-CA 3.36Å; V344-F353 HydrophobicContact CG2-CD1 4.06Å; V344-F353 HydrophobicContact CG2-CE1 3.4Å; V344-F353 VanDerWaalsContact CG2-CE1 3.4Å; V344-F353 HydrophobicContact CG2-CE2 4.02Å; V344-F353 HydrophobicContact CG2-CZ 3.38Å; V344-F353 PolarHBondContact N-O 3.48Å; V344-F353 WeakPolarHBondContact O-CD1 3.36Å; V344-F353 PolarHBondContact O-N 2.91Å
345P95Very high88.9Confident47 Ų4754.1 Ų54.131%0.30528%0.283SS..EExtended strand (participates in β ladder)trans-73.2141.3174.329.6-33.7000110.8W326 R350W326-P345 PolarHBondContact NE1-O 3.43Å; P345-R350 HydrophobicContact CB-CB 4.19Å; P345-R350 WeakPolarHBondContact CB-O 3.41Å
346C94.9Very high89.7Confident4 Ų452.9 Ų52.93%0.02728%0.281CS..  trans-52.8132.1168.1175.30000109.7L297 T348 C349 R350 A351 F353L297-C346 HydrophobicContact CD1-CB 3.91Å; C346-T348 PolarHBondContact O-N 3.47Å; C346-T348 VanDerWaalsContact O-N 3.08Å; C346-C349 VanDerWaalsContact SG-SG 3.68Å; C346-R350 WeakPolarHBondContact O-CA 3.48Å; C346-R350 PolarHBondContact O-N 2.86Å; C346-A351 HydrophobicContact CB-CB 4.44Å; C346-A351 VanDerWaalsContact CB-O 3.32Å; C346-A351 WeakPolarHBondContact CB-O 3.49Å; C346-A351 PolarHBondContact N-O 2.99Å; C346-F353 HydrophobicContact CB-CD1 4.42Å
347P94.6Very high90.7Very high32 Ų3251.9 Ų51.921%0.20828%0.275CS..THydrogen-bonded Turntrans-62.2-20.4-178.324.4-34.5000113.3W318 M323 W326W318-P347 HydrophobicContact CD2-CG 4.05Å; W318-P347 HydrophobicContact CH2-CB 4.02Å; W318-P347 HydrophobicContact CH2-CG 4.25Å; W318-P347 HydrophobicContact CZ2-CB 3.46Å; W318-P347 VanDerWaalsContact CZ2-CB 3.46Å; W318-P347 HydrophobicContact CZ2-CG 3.51Å; M323-P347 HydrophobicContact CE-CG 4.19Å; M323-P347 HydrophobicContact SD-CG 4.44Å; W326-P347 HydrophobicContact CD2-CB 3.82Å; W326-P347 HydrophobicContact CE3-CB 4.34Å; W326-P347 HydrophobicContact CG-CB 4.1Å; W326-P347 HydrophobicContact CG-CG 4.32Å; W326-P347 HydrophobicContact CH2-CB 4.49Å; W326-P347 HydrophobicContact CZ2-CB 4.03Å
348T94.1Very high91.7Very high67 Ų6745.8 Ų45.841%0.41125%0.246SC..THydrogen-bonded Turntrans-99.8-60.7-178.8-47.90000112.7M317 W318 C346M317-T348 HydrophobicContact CE-CG2 3.66Å; M317-T348 WeakPolarHBondContact CE-OG1 3.3Å; W318-T348 PolarHBondContact NE1-OG1 3.23Å; C346-T348 PolarHBondContact O-N 3.47Å; C346-T348 VanDerWaalsContact O-N 3.08Å
349C94Very high92.3Very high61 Ų6143.4 Ų43.441%0.41223%0.231SC..THydrogen-bonded Turntrans-99.7-1.6-176.165.90000114.8C314 C346 A351C314-C349 WeakPolarHBondContact SG-CB 3.22Å; C314-C349 PolarHBondContact SG-SG 3.05Å; C346-C349 VanDerWaalsContact SG-SG 3.68Å; C349-A351 PolarHBondContact O-N 3.48Å; C349-A351 WeakPolarHBondContact SG-CB 3.44Å
350R93.6Very high92.7Very high203 Ų20345 Ų4577%0.76624%0.24SC*.  trans62.54.8-176.6-52.8-177.3177.2-174.7-0.3116.4P345 C346 K352P345-R350 HydrophobicContact CB-CB 4.19Å; P345-R350 WeakPolarHBondContact CB-O 3.41Å; C346-R350 WeakPolarHBondContact O-CA 3.48Å; C346-R350 PolarHBondContact O-N 2.86Å; R350-K352 PolarHBondContact O-N 3.49Å
351A93.3Very high93Very high8 Ų841.9 Ų41.97%0.06622%0.224CC..  trans-53.1123.5169.300000109.6Q310 C312 C346 C349Q310-A351 HydrophobicContact CB-CB 4.1Å; C312-A351 HydrophobicContact CB-CB 4.22Å; C346-A351 HydrophobicContact CB-CB 4.44Å; C346-A351 VanDerWaalsContact CB-O 3.32Å; C346-A351 WeakPolarHBondContact CB-O 3.49Å; C346-A351 PolarHBondContact N-O 2.99Å; C349-A351 PolarHBondContact O-N 3.48Å; C349-A351 WeakPolarHBondContact SG-CB 3.44Å
352K93.9Very high92.8Very high94 Ų9444.9 Ų44.941%0.40923%0.232SC..EExtended strand (participates in β ladder)trans-67139.1-179.6-71.7-174.8177.7-178.60110.2C309 Q310 V344 R350C309-K352 CarbonylContact C-O 3.49Å; C309-K352 VanDerWaalsContact CA-O 3.3Å; C309-K352 WeakPolarHBondContact CA-O 3.22Å; Q310-K352 PolarHBondContact N-O 3.25Å; V344-K352 WeakPolarHBondContact O-CA 3.36Å; R350-K352 PolarHBondContact O-N 3.49Å
353F94.5Very high93Very high3 Ų344.4 Ų44.41%0.01323%0.229CC..EExtended strand (participates in β ladder)trans-144.1156.7176.874-83.5000110.5L297 M323 F327 R343 V344 C346 D357 V358L297-F353 HydrophobicContact CD1-CB 4.49Å; L297-F353 HydrophobicContact CD1-CD1 3.55Å; L297-F353 HydrophobicContact CD1-CD2 4.22Å; L297-F353 HydrophobicContact CD1-CE1 3.69Å; L297-F353 HydrophobicContact CD1-CE2 4.35Å; L297-F353 HydrophobicContact CD1-CG 3.84Å; L297-F353 HydrophobicContact CD1-CZ 4.1Å; L297-F353 HydrophobicContact CD2-CD1 4.42Å; L297-F353 HydrophobicContact CD2-CD2 3.55Å; L297-F353 HydrophobicContact CD2-CE1 4.47Å; L297-F353 HydrophobicContact CD2-CE2 3.64Å; L297-F353 HydrophobicContact CD2-CG 3.98Å; L297-F353 HydrophobicContact CD2-CZ 4.11Å; L297-F353 HydrophobicContact CG-CD2 4.48Å; L297-F353 HydrophobicContact CG-CG 4.46Å; M323-F353 HydrophobicContact CG-CZ 4.4Å; M323-F353 HydrophobicContact SD-CE1 4.31Å; M323-F353 HydrophobicContact SD-CE2 4.29Å; M323-F353 HydrophobicContact SD-CZ 3.6Å; M323-F353 VanDerWaalsContact SD-CZ 3.6Å; F327-F353 AromaticContact CD2-CE2 3.76Å; F327-F353 HydrophobicContact CD2-CE2 3.76Å; F327-F353 HydrophobicContact CD2-CZ 4.03Å; F327-F353 HydrophobicContact CE2-CE2 4.15Å; R343-F353 WeakPolarHBondContact CA-O 3.35Å; V344-F353 HydrophobicContact CG2-CD1 4.06Å; V344-F353 HydrophobicContact CG2-CE1 3.4Å; V344-F353 VanDerWaalsContact CG2-CE1 3.4Å; V344-F353 HydrophobicContact CG2-CE2 4.02Å; V344-F353 HydrophobicContact CG2-CZ 3.38Å; V344-F353 PolarHBondContact N-O 3.48Å; V344-F353 WeakPolarHBondContact O-CD1 3.36Å; V344-F353 PolarHBondContact O-N 2.91Å; C346-F353 HydrophobicContact CB-CD1 4.42Å; F353-D357 WeakPolarHBondContact CA-OD2 3.06Å; F353-D357 HydrophobicContact CB-CB 4.04Å; F353-V358 HydrophobicContact CD2-CG2 3.82Å; F353-V358 HydrophobicContact CE2-CG2 3.65Å
354C92.9Very high93.1Very high12 Ų1241.8 Ų41.88%0.08122%0.223CC..  trans-111.8176.3170.473.60000110.5C309 R343 L356 D357C309-C354 PolarHBondContact SG-N 2.67Å; R343-C354 HydrophobicContact CG-CB 4.14Å; C354-L356 PolarHBondContact O-N 3.44Å; C354-D357 PolarHBondContact N-OD2 3.19Å; C354-D357 WeakPolarHBondContact O-CB 3.49Å; C354-D357 PolarHBondContact O-N 3.07Å; C354-D357 VanDerWaalsContact O-N 3.08Å
355I93Very high93.1Very high15 Ų1544.1 Ų44.18%0.07724%0.235CC..G310 helixtrans-58.5-31.4-178.1-166.5166.3000113.6F264 Q267 V268 N271 L340 D357 V358F264-I355 HydrophobicContact CD2-CD1 3.65Å; F264-I355 HydrophobicContact CD2-CG1 3.91Å; F264-I355 HydrophobicContact CE2-CD1 4.22Å; F264-I355 HydrophobicContact CE2-CG1 3.95Å; F264-I355 HydrophobicContact CG-CD1 4.35Å; Q267-I355 HydrophobicContact CB-CD1 3.58Å; Q267-I355 HydrophobicContact CB-CG1 4.29Å; Q267-I355 HydrophobicContact CG-CD1 4.15Å; V268-I355 HydrophobicContact CG2-CG1 4.01Å; N271-I355 PolarHBondContact ND2-O 3.13Å; L340-I355 HydrophobicContact CD2-CD1 3.57Å; I355-D357 PolarHBondContact O-N 3.4Å; I355-V358 WeakPolarHBondContact O-CB 3.29Å; I355-V358 PolarHBondContact O-N 2.84Å
356L92.3Very high93Very high83 Ų8343.9 Ų43.944%0.43523%0.231SC..G310 helixtrans-69.5-23179.7-57.3177.5000112.8C301 C354 V358C301-L356 HydrophobicContact CB-CB 4.35Å; C301-L356 HydrophobicContact CB-CD1 4.28Å; C354-L356 PolarHBondContact O-N 3.44Å; L356-V358 PolarHBondContact O-N 3.12Å
357D93.6Very high92.8Very high1 Ų146.4 Ų46.41%0.00524%0.243CC..G310 helixtrans-82.1-4.4180-60.8-36.2000112.8L297 L298 R299 L300 C301 C309 F353 C354 I355L297-D357 WeakPolarHBondContact CA-O 3.36Å; L298-D357 PolarHBondContact N-O 2.89Å; L298-D357 CarbonylContact O-C 3.51Å; L298-D357 WeakPolarHBondContact O-CA 3.27Å; L298-D357 WeakPolarHBondContact O-CB 3.32Å; R299-D357 WeakPolarHBondContact CA-OD1 3.26Å; L300-D357 PolarHBondContact N-OD1 2.93Å; C301-D357 PolarHBondContact N-OD1 3.13Å; C301-D357 VanDerWaalsContact N-OD1 3.09Å; C301-D357 PolarHBondContact SG-OD1 3.03Å; C301-D357 VanDerWaalsContact SG-OD1 3.39Å; C309-D357 WeakPolarHBondContact CB-OD2 3.36Å; C309-D357 PolarHBondContact SG-OD2 3.1Å; F353-D357 WeakPolarHBondContact CA-OD2 3.06Å; F353-D357 HydrophobicContact CB-CB 4.04Å; C354-D357 PolarHBondContact N-OD2 3.19Å; C354-D357 WeakPolarHBondContact O-CB 3.49Å; C354-D357 PolarHBondContact O-N 3.07Å; C354-D357 VanDerWaalsContact O-N 3.08Å; I355-D357 PolarHBondContact O-N 3.4Å
358V95.4Very high92.7Very high0 Ų047.4 Ų47.40%025%0.246CC..EExtended strand (participates in β ladder)trans-90.5118.2-176.7-1720000108.9F264 V268 N271 T295 L297 L320 F353 I355 L356F264-V358 HydrophobicContact CE2-CG2 4.46Å; F264-V358 HydrophobicContact CZ-CG1 4.21Å; F264-V358 HydrophobicContact CZ-CG2 4.06Å; V268-V358 HydrophobicContact CG1-CB 4.19Å; V268-V358 HydrophobicContact CG1-CG1 3.78Å; V268-V358 HydrophobicContact CG2-CB 3.8Å; V268-V358 HydrophobicContact CG2-CG1 3.86Å; N271-V358 WeakPolarHBondContact CB-O 3.47Å; N271-V358 PolarHBondContact ND2-O 2.99Å; T295-V358 HydrophobicContact CG2-CG1 3.38Å; L297-V358 HydrophobicContact CD2-CB 4.35Å; L297-V358 HydrophobicContact CD2-CG1 4.42Å; L297-V358 HydrophobicContact CD2-CG2 3.8Å; L320-V358 HydrophobicContact CD1-CG1 4.33Å; F353-V358 HydrophobicContact CD2-CG2 3.82Å; F353-V358 HydrophobicContact CE2-CG2 3.65Å; I355-V358 WeakPolarHBondContact O-CB 3.29Å; I355-V358 PolarHBondContact O-N 2.84Å; L356-V358 PolarHBondContact O-N 3.12Å
359C94.8Very high92.6Very high0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-111.8138.3180-57.90000110.4Q272 T295 K296 L300Q272-C359 VanDerWaalsContact O-CB 3.25Å; Q272-C359 WeakPolarHBondContact O-CB 3.21Å; Q272-C359 PolarHBondContact O-SG 3.32Å; Q272-C359 VanDerWaalsContact O-SG 3.38Å; T295-C359 WeakPolarHBondContact CA-O 3.23Å; K296-C359 PolarHBondContact N-O 3.2Å; K296-C359 WeakPolarHBondContact O-CB 3.26Å; K296-C359 PolarHBondContact O-N 2.82Å; L300-C359 VanDerWaalsContact CD1-SG 3.53Å
360I94.5Very high92.5Very high38 Ų3844.8 Ų44.820%0.19522%0.22CC..EExtended strand (participates in β ladder)trans-73.9138.6169.2-60-178.4000108.7V268 E269 V273 Y274 L320V268-I360 HydrophobicContact CG1-CD1 4.37Å; V268-I360 HydrophobicContact CG1-CG1 3.8Å; E269-I360 HydrophobicContact CB-CD1 4.37Å; E269-I360 HydrophobicContact CG-CD1 3.74Å; V273-I360 WeakPolarHBondContact CG1-O 3.33Å; Y274-I360 PolarHBondContact N-O 3.07Å; L320-I360 HydrophobicContact CD2-CD1 4.36Å
361V91.8Very high92.4Very high2 Ų231.7 Ų31.71%0.01218%0.175CC..  trans-104.6119.4167.6-173.70000106.9Y274 L276 L282 N294 K296 P316Y274-V361 HydrophobicContact CD1-CG2 3.93Å; L276-V361 HydrophobicContact CD1-CG1 3.38Å; L276-V361 HydrophobicContact CD2-CG1 4.12Å; L276-V361 HydrophobicContact CG-CG1 3.51Å; L282-V361 HydrophobicContact CD1-CG1 4.11Å; L282-V361 HydrophobicContact CD2-CG1 4.28Å; N294-V361 PolarHBondContact O-N 3.38Å; K296-V361 HydrophobicContact CB-CG2 3.74Å; P316-V361 HydrophobicContact CB-CG2 4.06Å; P316-V361 HydrophobicContact CG-CG2 3.98Å
362P79.2Confident92.4Very high124 Ų12433.8 Ų33.881%0.80519%0.185SC*.  trans-720-173.428.9-31.5000113.4V273 Y274V273-P362 HydrophobicContact CG1-CB 4.46Å; V273-P362 HydrophobicContact CG1-CG 3.93Å; Y274-P362 VanDerWaalsContact O-CD 3.29Å; Y274-P362 WeakPolarHBondContact O-CD 3.46Å

Retrieved 362 of 362 residues in 1029.6 ms (Link to these results)

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