X5M914_CAEEL Loading...

Secretory carrier-associated membrane protein

AlphaFold DB , UniProt , Accession X5M914, Species CAEEL (Caenorhabditis elegans), Gene scm-1, Length 179 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
1M77.5Confident88.3Confident162 Ų16250.7 Ų50.780%0.79827%0.273SS*.  0-61.30-64-48.9168.300112.2V3 L4 A5M1-V3 PolarHBondContact O-N 3.28Å; M1-L4 WeakPolarHBondContact O-CB 3.36Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-L4 HydrophobicContact SD-CD1 4.05Å; M1-A5 PolarHBondContact O-N 2.88Å
2Y85.1Confident88.4Confident18 Ų1846.8 Ų46.87%0.07125%0.253CS..Hα-helixtrans-59.8-43-178.9-177.1-116.7000114.8L4 A5 L6 F37 S41 H71 T75 Q78 F113 A116 M120Y2-L4 VanDerWaalsContact C-N 3.25Å; Y2-L4 PolarHBondContact O-N 3.16Å; Y2-A5 WeakPolarHBondContact O-CA 3.3Å; Y2-A5 VanDerWaalsContact O-CB 3.27Å; Y2-A5 WeakPolarHBondContact O-CB 3.32Å; Y2-A5 PolarHBondContact O-N 3.4Å; Y2-L6 HydrophobicContact CD1-CD1 4.1Å; Y2-L6 HydrophobicContact CE1-CD1 3.75Å; Y2-L6 HydrophobicContact CE1-CG 4.33Å; Y2-L6 PolarHBondContact O-N 2.86Å; Y2-F37 HydrophobicContact CE1-CB 3.92Å; Y2-S41 WeakPolarHBondContact CD1-OG 3.24Å; Y2-H71 AromaticContact CD1-NE2 3.57Å; Y2-H71 AromaticContact CE1-CE1 3.73Å; Y2-H71 AromaticContact CE1-NE2 3.13Å; Y2-H71 WeakPolarHBondContact CE1-NE2 3.47Å; Y2-H71 AromaticContact CZ-NE2 3.5Å; Y2-T75 HydrophobicContact CD2-CG2 4.15Å; Y2-T75 HydrophobicContact CE2-CG2 3.88Å; Y2-T75 WeakPolarHBondContact CE2-OG1 3.38Å; Y2-Q78 PolarHBondContact OH-NE2 2.93Å; Y2-Q78 PolarHBondContact OH-OE1 2.99Å; Y2-Q78 VanDerWaalsContact OH-OE1 3.11Å; Y2-F113 HydrophobicContact CE2-CD1 4.37Å; Y2-F113 HydrophobicContact CE2-CE1 4.17Å; Y2-A116 HydrophobicContact CD2-CB 4.03Å; Y2-M120 HydrophobicContact CD1-CE 3.94Å; Y2-M120 HydrophobicContact CD2-CE 3.43Å; Y2-M120 VanDerWaalsContact CD2-CE 3.43Å; Y2-M120 HydrophobicContact CE1-CE 4.44Å; Y2-M120 HydrophobicContact CE2-CE 4.03Å; Y2-M120 HydrophobicContact CG-CE 3.38Å
3V86.8Confident88.4Confident60 Ų6043.3 Ų43.336%0.36423%0.234SC..Hα-helixtrans-60.5-35.7174.2179.10000112.1M1 A5 L6 V7 L34M1-V3 PolarHBondContact O-N 3.28Å; V3-A5 VanDerWaalsContact C-N 3.35Å; V3-L6 PolarHBondContact O-N 3.46Å; V3-V7 WeakPolarHBondContact O-CG2 3.47Å; V3-V7 PolarHBondContact O-N 3.35Å; V3-L34 HydrophobicContact CG1-CD1 4.31Å
4L86.9Confident88.6Confident100 Ų10044.5 Ų44.552%0.52424%0.24SC..Hα-helixtrans-65.4-40.4174.8-63.7169.5000110.8M1 Y2 L6 V7 V8M1-L4 WeakPolarHBondContact O-CB 3.36Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-L4 HydrophobicContact SD-CD1 4.05Å; Y2-L4 VanDerWaalsContact C-N 3.25Å; Y2-L4 PolarHBondContact O-N 3.16Å; L4-L6 VanDerWaalsContact C-N 3.3Å; L4-L6 PolarHBondContact O-N 3.4Å; L4-V7 PolarHBondContact O-N 2.88Å; L4-V8 VanDerWaalsContact O-CG2 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 3.26Å; L4-V8 PolarHBondContact O-N 3.03Å
5A88.6Confident88.6Confident0 Ų047.1 Ų47.10%025%0.248CC..Hα-helixtrans-58.5-42.4173.400000111.6M1 Y2 V3 V8 N9 T112 F113 A116M1-A5 PolarHBondContact O-N 2.88Å; Y2-A5 WeakPolarHBondContact O-CA 3.3Å; Y2-A5 VanDerWaalsContact O-CB 3.27Å; Y2-A5 WeakPolarHBondContact O-CB 3.32Å; Y2-A5 PolarHBondContact O-N 3.4Å; V3-A5 VanDerWaalsContact C-N 3.35Å; A5-V8 PolarHBondContact O-N 2.97Å; A5-N9 VanDerWaalsContact O-CB 3.26Å; A5-N9 WeakPolarHBondContact O-CB 3.23Å; A5-N9 PolarHBondContact O-N 3.32Å; A5-T112 HydrophobicContact CB-CG2 3.68Å; A5-F113 HydrophobicContact CB-CD1 3.67Å; A5-F113 HydrophobicContact CB-CE1 3.83Å; A5-F113 HydrophobicContact CB-CG 4.13Å; A5-F113 HydrophobicContact CB-CZ 4.44Å; A5-A116 HydrophobicContact CB-CB 4.42Å
6L88.3Confident88.6Confident0 Ų046.4 Ų46.40%024%0.241CC..Hα-helixtrans-64.7-40.9176.8-66171.8000112.6Y2 V3 L4 N9 V10 Q33 L34 F37 F113Y2-L6 HydrophobicContact CD1-CD1 4.1Å; Y2-L6 HydrophobicContact CE1-CD1 3.75Å; Y2-L6 HydrophobicContact CE1-CG 4.33Å; Y2-L6 PolarHBondContact O-N 2.86Å; V3-L6 PolarHBondContact O-N 3.46Å; L4-L6 VanDerWaalsContact C-N 3.3Å; L4-L6 PolarHBondContact O-N 3.4Å; L6-N9 WeakPolarHBondContact O-CB 3.3Å; L6-N9 PolarHBondContact O-N 2.62Å; L6-V10 WeakPolarHBondContact O-CG2 3.25Å; L6-V10 PolarHBondContact O-N 2.98Å; L6-Q33 HydrophobicContact CD2-CB 4Å; L6-L34 HydrophobicContact CB-CB 4.41Å; L6-L34 HydrophobicContact CB-CD1 3.66Å; L6-F37 HydrophobicContact CD1-CB 3.91Å; L6-F113 HydrophobicContact CD2-CE1 4.04Å; L6-F113 HydrophobicContact CD2-CZ 4.14Å
7V90.9Very high88.7Confident62 Ų6246.7 Ų46.738%0.37624%0.242SC..Hα-helixtrans-64.4-46.6175.8172.90000110.8V3 L4 N9 V10 L11 L34V3-V7 WeakPolarHBondContact O-CG2 3.47Å; V3-V7 PolarHBondContact O-N 3.35Å; L4-V7 PolarHBondContact O-N 2.88Å; V7-N9 VanDerWaalsContact C-N 3.25Å; V7-N9 PolarHBondContact O-N 2.98Å; V7-V10 PolarHBondContact O-N 3.4Å; V7-L11 PolarHBondContact O-N 3.42Å; V7-L11 VanDerWaalsContact O-N 3.08Å; V7-L34 HydrophobicContact CG2-CD1 3.69Å; V7-L34 HydrophobicContact CG2-CD2 4.29Å
8V91.3Very high88.6Confident41 Ų4149.4 Ų49.425%0.24826%0.256CS..Hα-helixtrans-60.7-38.4176.1174.60000110.6L4 A5 L11 A12 I108L4-V8 VanDerWaalsContact O-CG2 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 3.26Å; L4-V8 PolarHBondContact O-N 3.03Å; A5-V8 PolarHBondContact O-N 2.97Å; V8-L11 PolarHBondContact O-N 3.31Å; V8-A12 WeakPolarHBondContact O-CB 3.31Å; V8-A12 PolarHBondContact O-N 3.35Å; V8-I108 HydrophobicContact CG1-CG2 4.15Å
9N91.8Very high88.5Confident0 Ų053.6 Ų53.60%027%0.272CS..Hα-helixtrans-65.1-39.5176.2-176.659.4000113.1A5 L6 V7 S13 A30 C87 S109 F113A5-N9 VanDerWaalsContact O-CB 3.26Å; A5-N9 WeakPolarHBondContact O-CB 3.23Å; A5-N9 PolarHBondContact O-N 3.32Å; L6-N9 WeakPolarHBondContact O-CB 3.3Å; L6-N9 PolarHBondContact O-N 2.62Å; V7-N9 VanDerWaalsContact C-N 3.25Å; V7-N9 PolarHBondContact O-N 2.98Å; N9-S13 VanDerWaalsContact O-CB 3.23Å; N9-S13 WeakPolarHBondContact O-CB 3.35Å; N9-S13 PolarHBondContact O-N 2.85Å; N9-S13 PolarHBondContact O-OG 2.83Å; N9-A30 WeakPolarHBondContact ND2-CB 3.33Å; N9-C87 WeakPolarHBondContact OD1-CB 3.39Å; N9-C87 PolarHBondContact OD1-N 3.44Å; N9-S109 WeakPolarHBondContact CA-OG 3.37Å; N9-F113 HydrophobicContact CB-CE2 3.55Å; N9-F113 HydrophobicContact CB-CZ 3.64Å
10V91.9Very high88.2Confident25 Ų2551.5 Ų51.515%0.15226%0.264CS..Hα-helixtrans-62.5-46174170.20000110.4L6 V7 S13 L14 L27 A30 L34L6-V10 WeakPolarHBondContact O-CG2 3.25Å; L6-V10 PolarHBondContact O-N 2.98Å; V7-V10 PolarHBondContact O-N 3.4Å; V10-S13 PolarHBondContact O-N 2.87Å; V10-L14 WeakPolarHBondContact O-CB 3.26Å; V10-L14 PolarHBondContact O-N 2.89Å; V10-L27 HydrophobicContact CG1-CD1 4.23Å; V10-A30 HydrophobicContact CB-CB 4.46Å; V10-A30 HydrophobicContact CG2-CB 3.75Å; V10-A30 WeakPolarHBondContact CG2-O 3.34Å; V10-L34 HydrophobicContact CG2-CB 4.24Å; V10-L34 HydrophobicContact CG2-CD2 4.23Å
11L91.9Very high87.8Confident90 Ų9052.4 Ų52.447%0.47129%0.286SS..Hα-helixtrans-62.8-49.4177.1-66.4175.9000111.2V7 V8 S13 L14 F15V7-L11 PolarHBondContact O-N 3.42Å; V7-L11 VanDerWaalsContact O-N 3.08Å; V8-L11 PolarHBondContact O-N 3.31Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.45Å; L11-L14 WeakPolarHBondContact O-CB 3.27Å; L11-L14 PolarHBondContact O-N 2.95Å; L11-L14 VanDerWaalsContact O-N 3.14Å; L11-F15 WeakPolarHBondContact O-CD2 3.21Å; L11-F15 PolarHBondContact O-N 3.44Å
12A89.3Confident88Confident4 Ų445.2 Ų45.23%0.03325%0.253CS..Hα-helixtrans-59-42177.900000111.8V8 L14 F15 Y16 C87 M106V8-A12 WeakPolarHBondContact O-CB 3.31Å; V8-A12 PolarHBondContact O-N 3.35Å; A12-L14 VanDerWaalsContact C-N 3.35Å; A12-L14 PolarHBondContact O-N 2.87Å; A12-F15 PolarHBondContact O-N 3.37Å; A12-Y16 WeakPolarHBondContact O-CB 3.41Å; A12-Y16 PolarHBondContact O-N 3.45Å; A12-C87 HydrophobicContact CB-CB 4.06Å; A12-M106 HydrophobicContact CB-CG 4.35Å
13S89.3Confident88Confident1 Ų147.4 Ų47.41%0.00727%0.271CS..Hα-helixtrans-65.8-36.4176.7-59.60000112.3N9 V10 L11 M17 C87N9-S13 VanDerWaalsContact O-CB 3.23Å; N9-S13 WeakPolarHBondContact O-CB 3.35Å; N9-S13 PolarHBondContact O-N 2.85Å; N9-S13 PolarHBondContact O-OG 2.83Å; V10-S13 PolarHBondContact O-N 2.87Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.45Å; S13-M17 WeakPolarHBondContact O-CB 3.47Å; S13-M17 PolarHBondContact O-N 2.91Å; S13-C87 PolarHBondContact OG-SG 2.9Å
14L90.4Very high88Confident60 Ų6050.7 Ų50.731%0.31429%0.285SS..Hα-helixtrans-65.9-48.8176.1178.565.8000111.3V10 L11 A12 Y16 M17 I18 L27V10-L14 WeakPolarHBondContact O-CB 3.26Å; V10-L14 PolarHBondContact O-N 2.89Å; L11-L14 WeakPolarHBondContact O-CB 3.27Å; L11-L14 PolarHBondContact O-N 2.95Å; L11-L14 VanDerWaalsContact O-N 3.14Å; A12-L14 VanDerWaalsContact C-N 3.35Å; A12-L14 PolarHBondContact O-N 2.87Å; L14-Y16 VanDerWaalsContact C-N 3.33Å; L14-Y16 PolarHBondContact O-N 2.81Å; L14-M17 HydrophobicContact CD1-CE 4.07Å; L14-M17 PolarHBondContact O-N 2.91Å; L14-I18 HydrophobicContact CD1-CD1 3.83Å; L14-I18 HydrophobicContact CD1-CG1 4.45Å; L14-I18 HydrophobicContact CG-CD1 4.03Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.41Å; L14-L27 HydrophobicContact CB-CD1 3.99Å; L14-L27 HydrophobicContact CD1-CD1 4.49Å; L14-L27 HydrophobicContact CD1-CD2 3.78Å
15F89.6Confident88Confident84 Ų8447.7 Ų47.737%0.36828%0.279SS..Hα-helixtrans-64.9-38.2177.3-80-75.2000111.8L11 A12 I18 F19 I102 L105L11-F15 WeakPolarHBondContact O-CD2 3.21Å; L11-F15 PolarHBondContact O-N 3.44Å; A12-F15 PolarHBondContact O-N 3.37Å; F15-I18 PolarHBondContact O-N 2.77Å; F15-F19 AromaticContact CD1-CD2 3.8Å; F15-F19 HydrophobicContact CD1-CD2 3.8Å; F15-F19 AromaticContact CD1-CE2 3.69Å; F15-F19 HydrophobicContact CD1-CE2 3.69Å; F15-F19 HydrophobicContact CE1-CE2 4.06Å; F15-F19 WeakPolarHBondContact O-CB 3.46Å; F15-F19 PolarHBondContact O-N 3.24Å; F15-I102 HydrophobicContact CB-CD1 4.14Å; F15-L105 HydrophobicContact CB-CD1 4.09Å; F15-L105 HydrophobicContact CD1-CD1 4.47Å; F15-L105 HydrophobicContact CD2-CD1 4.18Å; F15-L105 HydrophobicContact CG-CD1 4.01Å
16Y88.4Confident87.8Confident35 Ų3547.9 Ų47.914%0.13728%0.28CS..Hα-helixtrans-61.6-42.8174.2-175.1-122.9000112.4A12 L14 A20 G21 G22 T95 I102 M106A12-Y16 WeakPolarHBondContact O-CB 3.41Å; A12-Y16 PolarHBondContact O-N 3.45Å; L14-Y16 VanDerWaalsContact C-N 3.33Å; L14-Y16 PolarHBondContact O-N 2.81Å; Y16-A20 HydrophobicContact CD2-CB 3.53Å; Y16-A20 HydrophobicContact CE2-CB 3.77Å; Y16-A20 CarbonylContact O-C 3.37Å; Y16-A20 WeakPolarHBondContact O-CA 3.41Å; Y16-A20 PolarHBondContact O-N 3.5Å; Y16-G21 PolarHBondContact O-N 2.81Å; Y16-G22 PolarHBondContact O-N 3.42Å; Y16-T95 HydrophobicContact CD2-CG2 3.87Å; Y16-T95 HydrophobicContact CE2-CG2 3.68Å; Y16-T95 WeakPolarHBondContact CE2-OG1 3.05Å; Y16-I102 HydrophobicContact CD2-CG2 3.96Å; Y16-M106 HydrophobicContact CD1-CE 4.41Å; Y16-M106 HydrophobicContact CD1-SD 4.35Å; Y16-M106 HydrophobicContact CD2-CE 4.34Å; Y16-M106 HydrophobicContact CD2-SD 3.43Å; Y16-M106 WeakPolarHBondContact CD2-SD 3.4Å; Y16-M106 HydrophobicContact CE2-SD 3.97Å; Y16-M106 HydrophobicContact CG-CE 4.32Å; Y16-M106 HydrophobicContact CG-SD 3.68Å
17M89.6Confident87.8Confident52 Ų5249.4 Ų49.426%0.25629%0.288SS..Hα-helixtrans-63.2-46.2176.3-175-167.978.200112.6S13 L14 I24 L27S13-M17 WeakPolarHBondContact O-CB 3.47Å; S13-M17 PolarHBondContact O-N 2.91Å; L14-M17 HydrophobicContact CD1-CE 4.07Å; L14-M17 PolarHBondContact O-N 2.91Å; M17-I24 HydrophobicContact CG-CG1 4.37Å; M17-I24 HydrophobicContact SD-CB 4.48Å; M17-I24 HydrophobicContact SD-CD1 4.45Å; M17-I24 HydrophobicContact SD-CG1 3.46Å; M17-I24 WeakPolarHBondContact SD-CG1 3.21Å; M17-L27 HydrophobicContact CE-CD2 3.91Å; M17-L27 HydrophobicContact SD-CB 4.36Å; M17-L27 HydrophobicContact SD-CD2 3.7Å
18I87.9Confident87.8Confident96 Ų9653.4 Ų53.449%0.49230%0.3SS..Hα-helixtrans-75.6-40.2-174.1-63.8170.2000111.9L14 F15L14-I18 HydrophobicContact CD1-CD1 3.83Å; L14-I18 HydrophobicContact CD1-CG1 4.45Å; L14-I18 HydrophobicContact CG-CD1 4.03Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.41Å; F15-I18 PolarHBondContact O-N 2.77Å
19F86.8Confident87.7Confident128 Ų12853.9 Ų53.956%0.56130%0.301SS*.Hα-helixtrans-114.5-9.3-165.5-63.3-75.5000115.1F15 I102F15-F19 AromaticContact CD1-CD2 3.8Å; F15-F19 HydrophobicContact CD1-CD2 3.8Å; F15-F19 AromaticContact CD1-CE2 3.69Å; F15-F19 HydrophobicContact CD1-CE2 3.69Å; F15-F19 HydrophobicContact CE1-CE2 4.06Å; F15-F19 WeakPolarHBondContact O-CB 3.46Å; F15-F19 PolarHBondContact O-N 3.24Å; F19-I102 HydrophobicContact CB-CD1 3.74Å; F19-I102 HydrophobicContact CB-CG1 3.97Å; F19-I102 HydrophobicContact CD2-CD1 4.3Å; F19-I102 HydrophobicContact CG-CD1 4.32Å
20A81.3Confident87.6Confident12 Ų1253.9 Ų53.910%0.09930%0.301CS..SBendtrans-136.314.4-175.600000113.7Y16 G22 T95 V98 I102Y16-A20 HydrophobicContact CD2-CB 3.53Å; Y16-A20 HydrophobicContact CE2-CB 3.77Å; Y16-A20 CarbonylContact O-C 3.37Å; Y16-A20 WeakPolarHBondContact O-CA 3.41Å; Y16-A20 PolarHBondContact O-N 3.5Å; A20-G22 VanDerWaalsContact C-N 3.34Å; A20-G22 PolarHBondContact O-N 3.47Å; A20-T95 HydrophobicContact CB-CG2 4.22Å; A20-V98 HydrophobicContact CB-CG1 4.14Å; A20-I102 HydrophobicContact CB-CB 4.28Å; A20-I102 HydrophobicContact CB-CG1 4.32Å; A20-I102 HydrophobicContact CB-CG2 3.93Å
21G81.2Confident87.5Confident71 Ų7155.4 Ų55.473%0.73231%0.312SS*.  trans7420.9175.600000114.6Y16Y16-G21 PolarHBondContact O-N 2.81Å
22G80.8Confident87.4Confident10 Ų1054.7 Ų54.710%0.10331%0.308CS..  trans-61.4148.8177.600000113.6Y16 A20Y16-G22 PolarHBondContact O-N 3.42Å; A20-G22 VanDerWaalsContact C-N 3.34Å; A20-G22 PolarHBondContact O-N 3.47Å
23S85.3Confident87.3Confident65 Ų6554.7 Ų54.746%0.45531%0.307SS..  trans-69.5138.9179.5179.70000112G25 Q26S23-G25 PolarHBondContact O-N 2.78Å; S23-G25 VanDerWaalsContact O-N 3.16Å; S23-G25 PolarHBondContact OG-N 3.06Å; S23-G25 VanDerWaalsContact OG-N 3.14Å; S23-Q26 WeakPolarHBondContact O-CB 3.49Å; S23-Q26 PolarHBondContact O-N 2.87Å
24I86.3Confident87.3Confident128 Ų12856.9 Ų56.966%0.65632%0.319SS*.Hα-helixtrans-54.5-31.8168.5-102.4169.2000111.7M17 Q26 L27 F28M17-I24 HydrophobicContact CG-CG1 4.37Å; M17-I24 HydrophobicContact SD-CB 4.48Å; M17-I24 HydrophobicContact SD-CD1 4.45Å; M17-I24 HydrophobicContact SD-CG1 3.46Å; M17-I24 WeakPolarHBondContact SD-CG1 3.21Å; I24-Q26 VanDerWaalsContact C-N 3.27Å; I24-Q26 PolarHBondContact O-N 3.29Å; I24-L27 PolarHBondContact O-N 3.26Å; I24-F28 PolarHBondContact O-N 3.23Å
25G86.4Confident87.2Confident38 Ų3857.5 Ų57.539%0.39233%0.332SS..Hα-helixtrans-59.7-36.7177.900000112.6S23 L29S23-G25 PolarHBondContact O-N 2.78Å; S23-G25 VanDerWaalsContact O-N 3.16Å; S23-G25 PolarHBondContact OG-N 3.06Å; S23-G25 VanDerWaalsContact OG-N 3.14Å; G25-L29 WeakPolarHBondContact O-CB 3.4Å; G25-L29 PolarHBondContact O-N 2.98Å
26Q85.8Confident87Confident4 Ų458.5 Ų58.52%0.01934%0.341CS..Hα-helixtrans-63.9-46.5176.8-96.9170.3-79.600112S23 I24 L29 A30 N84 N91S23-Q26 WeakPolarHBondContact O-CB 3.49Å; S23-Q26 PolarHBondContact O-N 2.87Å; I24-Q26 VanDerWaalsContact C-N 3.27Å; I24-Q26 PolarHBondContact O-N 3.29Å; Q26-L29 PolarHBondContact O-N 3.45Å; Q26-A30 WeakPolarHBondContact O-CB 3.48Å; Q26-A30 PolarHBondContact O-N 3.37Å; Q26-N84 HydrophobicContact CG-CB 3.8Å; Q26-N84 WeakPolarHBondContact CG-O 3.4Å; Q26-N84 PolarHBondContact OE1-OD1 3.17Å; Q26-N91 PolarHBondContact NE2-ND2 3.21Å
27L88.6Confident86.7Confident32 Ų3258 Ų5817%0.16834%0.34CS..Hα-helixtrans-64.6-46.5179.3176.961.6000111.1V10 L14 M17 I24 L29 A30 C31V10-L27 HydrophobicContact CG1-CD1 4.23Å; L14-L27 HydrophobicContact CB-CD1 3.99Å; L14-L27 HydrophobicContact CD1-CD1 4.49Å; L14-L27 HydrophobicContact CD1-CD2 3.78Å; M17-L27 HydrophobicContact CE-CD2 3.91Å; M17-L27 HydrophobicContact SD-CB 4.36Å; M17-L27 HydrophobicContact SD-CD2 3.7Å; I24-L27 PolarHBondContact O-N 3.26Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 3.31Å; L27-A30 WeakPolarHBondContact O-CB 3.42Å; L27-A30 PolarHBondContact O-N 3.49Å; L27-A30 VanDerWaalsContact O-N 3.17Å; L27-C31 PolarHBondContact O-N 2.92Å; L27-C31 PolarHBondContact O-SG 3.49Å; L27-C31 VanDerWaalsContact O-SG 3.4Å
28F90.2Very high86.3Confident146 Ų14657.1 Ų57.164%0.6434%0.339SS*.Hα-helixtrans-62-43.3179.9-166.9-108.6000111.5I24 A30 C31 I32I24-F28 PolarHBondContact O-N 3.23Å; F28-A30 PolarHBondContact O-N 3.48Å; F28-C31 PolarHBondContact O-N 2.89Å; F28-I32 HydrophobicContact CD1-CD1 3.64Å; F28-I32 HydrophobicContact CD1-CG1 4.45Å; F28-I32 HydrophobicContact CE1-CD1 3.47Å; F28-I32 VanDerWaalsContact CE1-CD1 3.47Å; F28-I32 HydrophobicContact CE1-CG1 4.3Å; F28-I32 HydrophobicContact CZ-CD1 4.26Å; F28-I32 WeakPolarHBondContact O-CG1 3.19Å; F28-I32 PolarHBondContact O-N 2.87Å
29L89.8Confident85.8Confident50 Ų5055.7 Ų55.726%0.26234%0.335SS..Hα-helixtrans-64.5-40.2175.5-166.368.6000111.1G25 Q26 L27 C31 I32 Q33 Y85G25-L29 WeakPolarHBondContact O-CB 3.4Å; G25-L29 PolarHBondContact O-N 2.98Å; Q26-L29 PolarHBondContact O-N 3.45Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 3.31Å; L29-C31 VanDerWaalsContact C-N 3.32Å; L29-C31 PolarHBondContact O-N 3.27Å; L29-I32 PolarHBondContact O-N 3.08Å; L29-Q33 WeakPolarHBondContact O-CB 3.34Å; L29-Q33 WeakPolarHBondContact O-CG 3.4Å; L29-Q33 PolarHBondContact O-N 2.89Å; L29-Q33 PolarHBondContact O-NE2 2.89Å; L29-Y85 HydrophobicContact CD2-CD2 3.55Å; L29-Y85 HydrophobicContact CD2-CE2 3.86Å; L29-Y85 HydrophobicContact CD2-CG 3.95Å; L29-Y85 WeakPolarHBondContact CD2-O 3.29Å
30A89.1Confident85.2Confident0 Ų051 Ų510%032%0.318CS..Hα-helixtrans-60.9-39.5175.200000112.2N9 V10 Q26 L27 F28 Q33 L34N9-A30 WeakPolarHBondContact ND2-CB 3.33Å; V10-A30 HydrophobicContact CB-CB 4.46Å; V10-A30 HydrophobicContact CG2-CB 3.75Å; V10-A30 WeakPolarHBondContact CG2-O 3.34Å; Q26-A30 WeakPolarHBondContact O-CB 3.48Å; Q26-A30 PolarHBondContact O-N 3.37Å; L27-A30 WeakPolarHBondContact O-CB 3.42Å; L27-A30 PolarHBondContact O-N 3.49Å; L27-A30 VanDerWaalsContact O-N 3.17Å; F28-A30 PolarHBondContact O-N 3.48Å; A30-Q33 PolarHBondContact O-N 3.33Å; A30-L34 PolarHBondContact O-N 2.99Å
31C89.4Confident84.7Confident57 Ų5751.5 Ų51.539%0.38532%0.321SS..Hα-helixtrans-65.3-44.6174.8-69.60000112.2L27 F28 L29 Q33 L34 A35L27-C31 PolarHBondContact O-N 2.92Å; L27-C31 PolarHBondContact O-SG 3.49Å; L27-C31 VanDerWaalsContact O-SG 3.4Å; F28-C31 PolarHBondContact O-N 2.89Å; L29-C31 VanDerWaalsContact C-N 3.32Å; L29-C31 PolarHBondContact O-N 3.27Å; C31-Q33 VanDerWaalsContact C-N 3.31Å; C31-Q33 PolarHBondContact O-N 3.48Å; C31-L34 PolarHBondContact O-N 3.41Å; C31-A35 WeakPolarHBondContact O-CB 3.48Å; C31-A35 PolarHBondContact O-N 2.62Å
32I89.8Confident84.2Confident76 Ų7654 Ų5439%0.3931%0.312SS..Hα-helixtrans-60.3-45.1174.6-69.7168.7000110.3F28 L29 L34 A35 L36F28-I32 HydrophobicContact CD1-CD1 3.64Å; F28-I32 HydrophobicContact CD1-CG1 4.45Å; F28-I32 HydrophobicContact CE1-CD1 3.47Å; F28-I32 VanDerWaalsContact CE1-CD1 3.47Å; F28-I32 HydrophobicContact CE1-CG1 4.3Å; F28-I32 HydrophobicContact CZ-CD1 4.26Å; F28-I32 WeakPolarHBondContact O-CG1 3.19Å; F28-I32 PolarHBondContact O-N 2.87Å; L29-I32 PolarHBondContact O-N 3.08Å; I32-L34 VanDerWaalsContact C-N 3.32Å; I32-L34 PolarHBondContact O-N 2.93Å; I32-A35 PolarHBondContact O-N 2.95Å; I32-L36 VanDerWaalsContact O-CB 3.26Å; I32-L36 WeakPolarHBondContact O-CB 3.48Å; I32-L36 PolarHBondContact O-N 3.49Å
33Q87.6Confident83.5Confident3 Ų357.3 Ų57.31%0.01433%0.327CS..Hα-helixtrans-59.5-44.5178.2-71.8175.483.100110.9L6 L29 A30 C31 F37 Y85L6-Q33 HydrophobicContact CD2-CB 4Å; L29-Q33 WeakPolarHBondContact O-CB 3.34Å; L29-Q33 WeakPolarHBondContact O-CG 3.4Å; L29-Q33 PolarHBondContact O-N 2.89Å; L29-Q33 PolarHBondContact O-NE2 2.89Å; A30-Q33 PolarHBondContact O-N 3.33Å; C31-Q33 VanDerWaalsContact C-N 3.31Å; C31-Q33 PolarHBondContact O-N 3.48Å; Q33-F37 HydrophobicContact CB-CD2 3.8Å; Q33-F37 HydrophobicContact CB-CE2 4.16Å; Q33-F37 HydrophobicContact CG-CD2 4.02Å; Q33-F37 HydrophobicContact CG-CE2 3.84Å; Q33-F37 WeakPolarHBondContact O-CA 3.24Å; Q33-F37 WeakPolarHBondContact O-CB 3.26Å; Q33-F37 WeakPolarHBondContact O-CD2 3.02Å; Q33-F37 PolarHBondContact O-N 3.3Å; Q33-Y85 PolarHBondContact NE2-O 3.46Å
34L89.1Confident82.6Confident48 Ų4859 Ų5925%0.25133%0.326SS..Hα-helixtrans-61.1-47.7175.5-177.165.7000111.8V3 L6 V7 V10 A30 C31 I32 S38V3-L34 HydrophobicContact CG1-CD1 4.31Å; L6-L34 HydrophobicContact CB-CB 4.41Å; L6-L34 HydrophobicContact CB-CD1 3.66Å; V7-L34 HydrophobicContact CG2-CD1 3.69Å; V7-L34 HydrophobicContact CG2-CD2 4.29Å; V10-L34 HydrophobicContact CG2-CB 4.24Å; V10-L34 HydrophobicContact CG2-CD2 4.23Å; A30-L34 PolarHBondContact O-N 2.99Å; C31-L34 PolarHBondContact O-N 3.41Å; I32-L34 VanDerWaalsContact C-N 3.32Å; I32-L34 PolarHBondContact O-N 2.93Å; L34-S38 WeakPolarHBondContact O-CB 3.43Å; L34-S38 PolarHBondContact O-N 3.41Å; L34-S38 PolarHBondContact O-OG 3.39Å
35A87.8Confident81.7Confident72 Ų7256.3 Ų56.360%0.59531%0.308SS*.Hα-helixtrans-70.2-40.7-17600000113.2C31 I32 P39C31-A35 WeakPolarHBondContact O-CB 3.48Å; C31-A35 PolarHBondContact O-N 2.62Å; I32-A35 PolarHBondContact O-N 2.95Å; A35-P39 WeakPolarHBondContact O-CD 3.45Å; A35-P39 VanDerWaalsContact O-CG 3.24Å; A35-P39 WeakPolarHBondContact O-CG 3.41Å
36L86Confident80.7Confident106 Ų10660.2 Ų60.256%0.55531%0.314SS*.Hα-helixtrans-83.3-46-177.5-173.868.4000111.5I32 P39 C40I32-L36 VanDerWaalsContact O-CB 3.26Å; I32-L36 WeakPolarHBondContact O-CB 3.48Å; I32-L36 PolarHBondContact O-N 3.49Å; L36-P39 WeakPolarHBondContact O-CD 3.3Å; L36-P39 WeakPolarHBondContact O-CG 3.43Å; L36-C40 WeakPolarHBondContact O-CB 3.2Å; L36-C40 PolarHBondContact O-N 3.5Å
37F82.1Confident79.8Confident25 Ų2568.2 Ų68.211%0.1134%0.344CS..Hα-helixtrans-78.7-23.9-174.2-63.9-56.3000113.4Y2 L6 Q33 S41Y2-F37 HydrophobicContact CE1-CB 3.92Å; L6-F37 HydrophobicContact CD1-CB 3.91Å; Q33-F37 HydrophobicContact CB-CD2 3.8Å; Q33-F37 HydrophobicContact CB-CE2 4.16Å; Q33-F37 HydrophobicContact CG-CD2 4.02Å; Q33-F37 HydrophobicContact CG-CE2 3.84Å; Q33-F37 WeakPolarHBondContact O-CA 3.24Å; Q33-F37 WeakPolarHBondContact O-CB 3.26Å; Q33-F37 WeakPolarHBondContact O-CD2 3.02Å; Q33-F37 PolarHBondContact O-N 3.3Å; F37-S41 VanDerWaalsContact O-CB 3.24Å; F37-S41 WeakPolarHBondContact O-CB 3.32Å; F37-S41 PolarHBondContact O-N 2.93Å; F37-S41 PolarHBondContact O-OG 3.03Å
38S81.3Confident78.9Confident33 Ų3367.4 Ų67.423%0.23134%0.341CS..Hα-helixtrans-60.3-54.6174.2-64.80000113.7L34 F42L34-S38 WeakPolarHBondContact O-CB 3.43Å; L34-S38 PolarHBondContact O-N 3.41Å; L34-S38 PolarHBondContact O-OG 3.39Å; S38-F42 PolarHBondContact O-N 3.47Å
39P76.9Confident77.8Confident65 Ų6561.4 Ų61.442%0.42232%0.316SS..Hα-helixtrans-70.3-36.1177.127.4-34.2000112.1A35 L36 F42 L43A35-P39 WeakPolarHBondContact O-CD 3.45Å; A35-P39 VanDerWaalsContact O-CG 3.24Å; A35-P39 WeakPolarHBondContact O-CG 3.41Å; L36-P39 WeakPolarHBondContact O-CD 3.3Å; L36-P39 WeakPolarHBondContact O-CG 3.43Å; P39-F42 PolarHBondContact O-N 2.88Å; P39-L43 WeakPolarHBondContact O-CB 3.35Å; P39-L43 WeakPolarHBondContact O-CG 3.27Å; P39-L43 PolarHBondContact O-N 3.38Å
40C74.6Confident77Confident30 Ų3065.8 Ų65.820%0.20333%0.33CS..Hα-helixtrans-60.2-47.9177.6177.10000111.3L36 F42 L43 F44L36-C40 WeakPolarHBondContact O-CB 3.2Å; L36-C40 PolarHBondContact O-N 3.5Å; C40-F42 VanDerWaalsContact C-N 3.3Å; C40-F42 PolarHBondContact O-N 3.19Å; C40-L43 PolarHBondContact O-N 3.38Å; C40-F44 HydrophobicContact CB-CD2 4.14Å; C40-F44 HydrophobicContact CB-CE2 4.19Å; C40-F44 WeakPolarHBondContact O-CB 3.11Å; C40-F44 WeakPolarHBondContact O-CD2 3.47Å; C40-F44 PolarHBondContact O-N 3.45Å; C40-F44 WeakPolarHBondContact SG-CD2 3.31Å; C40-F44 WeakPolarHBondContact SG-CE2 3.25Å
41S71.8Confident75.8Confident23 Ų2371 Ų7116%0.16135%0.353CS..Hα-helixtrans-60.1-40.2177.9-53.70000112Y2 F37 W45 H71Y2-S41 WeakPolarHBondContact CD1-OG 3.24Å; F37-S41 VanDerWaalsContact O-CB 3.24Å; F37-S41 WeakPolarHBondContact O-CB 3.32Å; F37-S41 PolarHBondContact O-N 2.93Å; F37-S41 PolarHBondContact O-OG 3.03Å; S41-W45 VanDerWaalsContact O-CB 3.29Å; S41-W45 WeakPolarHBondContact O-CB 3.31Å; S41-W45 PolarHBondContact O-N 2.99Å; S41-W45 VanDerWaalsContact O-N 3.16Å; S41-H71 PolarHBondContact OG-CE1 3.45Å; S41-H71 VanDerWaalsContact OG-CE1 3.31Å
42F69.6Low74.9Confident123 Ų12368.3 Ų68.354%0.53934%0.335SS..Iπ-helixtrans-69.1-47.2178.1-177-103.5000112.1S38 P39 C40 F44 F46S38-F42 PolarHBondContact O-N 3.47Å; P39-F42 PolarHBondContact O-N 2.88Å; C40-F42 VanDerWaalsContact C-N 3.3Å; C40-F42 PolarHBondContact O-N 3.19Å; F42-F44 PolarHBondContact O-N 3.24Å; F42-F46 HydrophobicContact CD2-CB 4.21Å; F42-F46 AromaticContact CD2-CD2 3.93Å; F42-F46 HydrophobicContact CD2-CD2 3.93Å; F42-F46 HydrophobicContact CD2-CG 4.21Å; F42-F46 HydrophobicContact CE2-CB 4.21Å; F42-F46 HydrophobicContact CE2-CD2 4.45Å; F42-F46 HydrophobicContact CE2-CG 4.31Å; F42-F46 WeakPolarHBondContact O-CB 3.04Å; F42-F46 PolarHBondContact O-N 3.39Å; F42-F46 VanDerWaalsContact O-N 3.12Å
43L66.4Low73.9Confident80 Ų8069.5 Ų69.542%0.41934%0.337SS..Iπ-helixtrans-68.8-34.6-177.6-72.4174.7000113.1P39 C40 P48P39-L43 WeakPolarHBondContact O-CB 3.35Å; P39-L43 WeakPolarHBondContact O-CG 3.27Å; P39-L43 PolarHBondContact O-N 3.38Å; C40-L43 PolarHBondContact O-N 3.38Å; L43-P48 VanDerWaalsContact O-CD 3.3Å; L43-P48 WeakPolarHBondContact O-CD 3.45Å
44F66.1Low73.2Confident100 Ų10077.6 Ų77.644%0.43937%0.368SS..Iπ-helixtrans-96.3-20.6-173.7-65.4-60.7000115C40 F42 P48 V67C40-F44 HydrophobicContact CB-CD2 4.14Å; C40-F44 HydrophobicContact CB-CE2 4.19Å; C40-F44 WeakPolarHBondContact O-CB 3.11Å; C40-F44 WeakPolarHBondContact O-CD2 3.47Å; C40-F44 PolarHBondContact O-N 3.45Å; C40-F44 WeakPolarHBondContact SG-CD2 3.31Å; C40-F44 WeakPolarHBondContact SG-CE2 3.25Å; F42-F44 PolarHBondContact O-N 3.24Å; F44-P48 WeakPolarHBondContact O-CD 3.37Å; F44-P48 VanDerWaalsContact O-CG 3.3Å; F44-P48 WeakPolarHBondContact O-CG 3.37Å; F44-V67 HydrophobicContact CB-CB 4.43Å; F44-V67 HydrophobicContact CB-CG1 3.55Å; F44-V67 HydrophobicContact CD1-CG1 4.43Å; F44-V67 HydrophobicContact CG-CG1 3.96Å
45W67.2Low72.1Confident72 Ų7279.8 Ų79.827%0.27338%0.38SS..Iπ-helixtrans-94.1-57.8171174.8-59.3000111.3S41 V49 F64 L68 M120 A123S41-W45 VanDerWaalsContact O-CB 3.29Å; S41-W45 WeakPolarHBondContact O-CB 3.31Å; S41-W45 PolarHBondContact O-N 2.99Å; S41-W45 VanDerWaalsContact O-N 3.16Å; W45-V49 WeakPolarHBondContact O-CB 3.45Å; W45-V49 PolarHBondContact O-N 3.5Å; W45-V49 VanDerWaalsContact O-N 3.16Å; W45-F64 AromaticContact CD2-CE2 3.96Å; W45-F64 HydrophobicContact CD2-CE2 3.96Å; W45-F64 HydrophobicContact CE3-CE2 4.38Å; W45-F64 HydrophobicContact CG-CE2 4.06Å; W45-L68 HydrophobicContact CE3-CD1 3.45Å; W45-L68 VanDerWaalsContact CE3-CD1 3.45Å; W45-L68 HydrophobicContact CE3-CD2 4.39Å; W45-L68 HydrophobicContact CZ3-CD1 3.5Å; W45-L68 HydrophobicContact CZ3-CD2 4.19Å; W45-M120 HydrophobicContact CZ3-CB 4.42Å; W45-M120 HydrophobicContact CZ3-CG 4.12Å; W45-A123 HydrophobicContact CH2-CB 3.07Å; W45-A123 HydrophobicContact CZ2-CB 3.54Å; W45-A123 HydrophobicContact CZ3-CB 3.94Å
46F66.4Low71Confident119 Ų11981.3 Ų81.352%0.52238%0.378SS..Iπ-helixtrans-73.2-42.8-163.4-83.6-86.6000112.3F42 Y50F42-F46 HydrophobicContact CD2-CB 4.21Å; F42-F46 AromaticContact CD2-CD2 3.93Å; F42-F46 HydrophobicContact CD2-CD2 3.93Å; F42-F46 HydrophobicContact CD2-CG 4.21Å; F42-F46 HydrophobicContact CE2-CB 4.21Å; F42-F46 HydrophobicContact CE2-CD2 4.45Å; F42-F46 HydrophobicContact CE2-CG 4.31Å; F42-F46 WeakPolarHBondContact O-CB 3.04Å; F42-F46 PolarHBondContact O-N 3.39Å; F42-F46 VanDerWaalsContact O-N 3.12Å; F46-Y50 WeakPolarHBondContact O-CB 3.38Å; F46-Y50 PolarHBondContact O-N 2.62Å
47R67.2Low70.3Confident172 Ų17277 Ų7765%0.64936%0.356SS*.Hα-helixtrans-65.6-50.8179.2-90.5-173.4172.6-161-0.9112.9Y50 K51R47-Y50 PolarHBondContact O-N 3.01Å; R47-K51 VanDerWaalsContact O-CB 3.31Å; R47-K51 WeakPolarHBondContact O-CB 3.29Å; R47-K51 PolarHBondContact O-N 3.47Å
48P68Low69.7Low16 Ų1675.8 Ų75.810%0.10435%0.351CS..Hα-helixtrans-64-43.5-179.8-27.438.7000112.5L43 F44 K51 A52 F64L43-P48 VanDerWaalsContact O-CD 3.3Å; L43-P48 WeakPolarHBondContact O-CD 3.45Å; F44-P48 WeakPolarHBondContact O-CD 3.37Å; F44-P48 VanDerWaalsContact O-CG 3.3Å; F44-P48 WeakPolarHBondContact O-CG 3.37Å; P48-K51 PolarHBondContact O-N 3.43Å; P48-A52 WeakPolarHBondContact O-CB 3.42Å; P48-A52 PolarHBondContact O-N 2.92Å; P48-F64 HydrophobicContact CB-CB 4.32Å
49V68.8Low69.2Low20 Ų2077.8 Ų77.812%0.12136%0.356CS..Hα-helixtrans-66.7-41.6178.6121.70000111.6W45 K51 A52 F53 F64W45-V49 WeakPolarHBondContact O-CB 3.45Å; W45-V49 PolarHBondContact O-N 3.5Å; W45-V49 VanDerWaalsContact O-N 3.16Å; V49-K51 VanDerWaalsContact C-N 3.34Å; V49-K51 PolarHBondContact O-N 2.99Å; V49-A52 PolarHBondContact O-N 3.14Å; V49-F53 HydrophobicContact CG1-CD2 4.11Å; V49-F53 HydrophobicContact CG1-CE2 4.14Å; V49-F53 HydrophobicContact CG2-CD2 4.48Å; V49-F53 HydrophobicContact CG2-CE2 4.03Å; V49-F53 WeakPolarHBondContact O-CD2 3.38Å; V49-F53 PolarHBondContact O-N 3.31Å; V49-F64 HydrophobicContact CB-CD2 4.01Å; V49-F64 HydrophobicContact CB-CE2 4.11Å; V49-F64 HydrophobicContact CG2-CD1 4.08Å; V49-F64 HydrophobicContact CG2-CD2 3.49Å; V49-F64 VanDerWaalsContact CG2-CD2 3.49Å; V49-F64 HydrophobicContact CG2-CE1 4.08Å; V49-F64 HydrophobicContact CG2-CE2 3.47Å; V49-F64 VanDerWaalsContact CG2-CE2 3.47Å; V49-F64 HydrophobicContact CG2-CG 3.79Å; V49-F64 HydrophobicContact CG2-CZ 3.76Å
50Y72.6Confident69.3Low141 Ų14176.1 Ų76.155%0.55334%0.343SS*.Hα-helixtrans-61.3-45176.1179.7-96.5000111.2F46 R47 A52 R54F46-Y50 WeakPolarHBondContact O-CB 3.38Å; F46-Y50 PolarHBondContact O-N 2.62Å; R47-Y50 PolarHBondContact O-N 3.01Å; Y50-A52 VanDerWaalsContact C-N 3.34Å; Y50-R54 VanDerWaalsContact O-CB 3.23Å; Y50-R54 WeakPolarHBondContact O-CB 3.09Å; Y50-R54 PolarHBondContact O-N 3.47Å; Y50-R54 PolarHBondContact OH-NH1 2.8Å
51K64Low69.4Low110 Ų11075 Ų7548%0.47834%0.335SS..Hα-helixtrans-68-34.6178.3-163.6168.7-175.9179.40112.1R47 P48 V49 N55R47-K51 VanDerWaalsContact O-CB 3.31Å; R47-K51 WeakPolarHBondContact O-CB 3.29Å; R47-K51 PolarHBondContact O-N 3.47Å; P48-K51 PolarHBondContact O-N 3.43Å; V49-K51 VanDerWaalsContact C-N 3.34Å; V49-K51 PolarHBondContact O-N 2.99Å; K51-N55 WeakPolarHBondContact O-CB 3.45Å; K51-N55 PolarHBondContact O-N 2.95Å
52A68.8Low69.8Low0 Ų077.9 Ų77.90%035%0.347CS..Hα-helixtrans-64.9-47.3176.500000111.8P48 V49 Y50 D56 S57 N60 F61P48-A52 WeakPolarHBondContact O-CB 3.42Å; P48-A52 PolarHBondContact O-N 2.92Å; V49-A52 PolarHBondContact O-N 3.14Å; Y50-A52 VanDerWaalsContact C-N 3.34Å; A52-D56 VanDerWaalsContact O-CA 3.25Å; A52-D56 WeakPolarHBondContact O-CA 3.23Å; A52-D56 PolarHBondContact O-N 2.9Å; A52-S57 PolarHBondContact O-N 3.3Å; A52-S57 VanDerWaalsContact O-N 3.14Å; A52-N60 HydrophobicContact CB-CB 3.8Å; A52-F61 HydrophobicContact CB-CD1 3.9Å; A52-F61 HydrophobicContact CB-CD2 3.76Å; A52-F61 HydrophobicContact CB-CE1 3.84Å; A52-F61 HydrophobicContact CB-CE2 3.72Å; A52-F61 HydrophobicContact CB-CG 3.85Å; A52-F61 HydrophobicContact CB-CZ 3.76Å
53F69.8Low70.3Confident101 Ų10174.6 Ų74.644%0.44334%0.337SS..Hα-helixtrans-73.8-33.9177.6-74-64.9000113.6V49 F61 L130V49-F53 HydrophobicContact CG1-CD2 4.11Å; V49-F53 HydrophobicContact CG1-CE2 4.14Å; V49-F53 HydrophobicContact CG2-CD2 4.48Å; V49-F53 HydrophobicContact CG2-CE2 4.03Å; V49-F53 WeakPolarHBondContact O-CD2 3.38Å; V49-F53 PolarHBondContact O-N 3.31Å; F53-F61 AromaticContact CD1-CZ 3.9Å; F53-F61 HydrophobicContact CD1-CZ 3.9Å; F53-F61 HydrophobicContact CE1-CE1 4.12Å; F53-F61 AromaticContact CE1-CZ 3.78Å; F53-F61 HydrophobicContact CE1-CZ 3.78Å; F53-F61 HydrophobicContact CE2-CE1 4.26Å; F53-F61 HydrophobicContact CG-CZ 4.32Å; F53-F61 AromaticContact CZ-CE1 3.96Å; F53-F61 HydrophobicContact CZ-CE1 3.96Å; F53-F61 HydrophobicContact CZ-CZ 4.1Å; F53-L130 HydrophobicContact CE1-CD1 4.26Å; F53-L130 HydrophobicContact CZ-CD1 4.14Å
54R72.3Confident71.1Confident174 Ų17470.8 Ų70.866%0.65732%0.317SS*.Hα-helixtrans-73.9-38.4-179.5-175.4176.5178.6108.57.6112.9Y50Y50-R54 VanDerWaalsContact O-CB 3.23Å; Y50-R54 WeakPolarHBondContact O-CB 3.09Å; Y50-R54 PolarHBondContact O-N 3.47Å; Y50-R54 PolarHBondContact OH-NH1 2.8Å
55N66.4Low71.9Confident94 Ų9467.6 Ų67.650%0.50330%0.303SS..THydrogen-bonded Turntrans-107.89.3-174.2-62.1-10.3000112.7K51 S57K51-N55 WeakPolarHBondContact O-CB 3.45Å; K51-N55 PolarHBondContact O-N 2.95Å; N55-S57 PolarHBondContact O-N 3.49Å; N55-S57 VanDerWaalsContact O-N 3.09Å
56D65.5Low72.7Confident104 Ų10470.4 Ų70.456%0.55632%0.317SS*.THydrogen-bonded Turntrans46.140.9-174.2-83.2-34.7000112.8A52 F136A52-D56 VanDerWaalsContact O-CA 3.25Å; A52-D56 WeakPolarHBondContact O-CA 3.23Å; A52-D56 PolarHBondContact O-N 2.9Å; D56-F136 HydrophobicContact CB-CZ 3.97Å; D56-F136 WeakPolarHBondContact O-CE1 3.43Å; D56-F136 VanDerWaalsContact O-CZ 3.27Å; D56-F136 WeakPolarHBondContact O-CZ 3.45Å
57S69.8Low73.6Confident14 Ų1466.5 Ų66.510%0.09830%0.303CS..  trans-93.8111.9-170.4176.60000112.1A52 N55 F59 N60 F61 E144A52-S57 PolarHBondContact O-N 3.3Å; A52-S57 VanDerWaalsContact O-N 3.14Å; N55-S57 PolarHBondContact O-N 3.49Å; N55-S57 VanDerWaalsContact O-N 3.09Å; S57-F59 VanDerWaalsContact C-N 3.25Å; S57-F59 PolarHBondContact O-N 3.37Å; S57-N60 WeakPolarHBondContact CB-ND2 3.5Å; S57-N60 PolarHBondContact O-N 3.39Å; S57-N60 PolarHBondContact OG-ND2 2.94Å; S57-F61 WeakPolarHBondContact O-CD2 3.19Å; S57-F61 PolarHBondContact O-N 3.05Å; S57-E144 WeakPolarHBondContact CA-OE2 3.46Å; S57-E144 WeakPolarHBondContact CB-OE2 3.22Å; S57-E144 PolarHBondContact OG-OE2 3.34Å
58S70.7Confident74.5Confident0 Ų058.8 Ų58.80%028%0.275CS..Hα-helixtrans-56.7-38.1175.7-39.30000112.4F61 M62 F136 K140 E144S58-F61 PolarHBondContact O-N 2.98Å; S58-M62 PolarHBondContact O-N 3.39Å; S58-F136 WeakPolarHBondContact OG-CD1 3.45Å; S58-F136 VanDerWaalsContact OG-CE1 3.3Å; S58-F136 WeakPolarHBondContact OG-CE1 3.17Å; S58-K140 WeakPolarHBondContact OG-CD 3.34Å; S58-K140 WeakPolarHBondContact OG-CG 3.42Å; S58-E144 WeakPolarHBondContact CB-OE1 3.44Å; S58-E144 PolarHBondContact N-OE1 2.87Å; S58-E144 VanDerWaalsContact N-OE1 3.14Å; S58-E144 PolarHBondContact N-OE2 2.96Å; S58-E144 PolarHBondContact OG-OE1 3.39Å
59F70.4Confident75.4Confident76 Ų7663.4 Ų63.433%0.33329%0.293SS..Hα-helixtrans-66.6-43.3-178.4177.6-101.9000112.1S57 F61 M62 V63 E144 F145S57-F59 VanDerWaalsContact C-N 3.25Å; S57-F59 PolarHBondContact O-N 3.37Å; F59-F61 VanDerWaalsContact C-N 3.29Å; F59-F61 PolarHBondContact O-N 3.37Å; F59-M62 PolarHBondContact O-N 3.13Å; F59-M62 VanDerWaalsContact O-N 3.13Å; F59-V63 HydrophobicContact CE1-CG2 4.07Å; F59-V63 HydrophobicContact CE2-CG2 4.48Å; F59-V63 HydrophobicContact CZ-CG2 4.04Å; F59-V63 PolarHBondContact O-N 3.02Å; F59-V63 VanDerWaalsContact O-N 3.14Å; F59-E144 PolarHBondContact N-OE2 3.27Å; F59-F145 HydrophobicContact CD2-CB 4.27Å; F59-F145 HydrophobicContact CD2-CD2 4.07Å; F59-F145 HydrophobicContact CE1-CD2 4.47Å; F59-F145 AromaticContact CE2-CD2 3.61Å; F59-F145 HydrophobicContact CE2-CD2 3.61Å; F59-F145 HydrophobicContact CE2-CE2 4.18Å; F59-F145 HydrophobicContact CE2-CG 4.34Å; F59-F145 AromaticContact CZ-CD2 3.84Å; F59-F145 HydrophobicContact CZ-CD2 3.84Å; F59-F145 HydrophobicContact CZ-CE2 4.11Å
60N78.7Confident76.3Confident30 Ų3066.9 Ų66.916%0.1631%0.307CS..Hα-helixtrans-66.5-31.8178.1-72.5-73000112A52 S57 F64A52-N60 HydrophobicContact CB-CB 3.8Å; S57-N60 WeakPolarHBondContact CB-ND2 3.5Å; S57-N60 PolarHBondContact O-N 3.39Å; S57-N60 PolarHBondContact OG-ND2 2.94Å; N60-F64 WeakPolarHBondContact O-CB 3.38Å; N60-F64 PolarHBondContact O-N 3.47Å
61F77.8Confident77Confident6 Ų661.1 Ų61.13%0.02629%0.285CS..Hα-helixtrans-63.2-41.2170.1-81.1-64000112.5A52 F53 S57 S58 F59 F64 F65 V127 Y131A52-F61 HydrophobicContact CB-CD1 3.9Å; A52-F61 HydrophobicContact CB-CD2 3.76Å; A52-F61 HydrophobicContact CB-CE1 3.84Å; A52-F61 HydrophobicContact CB-CE2 3.72Å; A52-F61 HydrophobicContact CB-CG 3.85Å; A52-F61 HydrophobicContact CB-CZ 3.76Å; F53-F61 AromaticContact CD1-CZ 3.9Å; F53-F61 HydrophobicContact CD1-CZ 3.9Å; F53-F61 HydrophobicContact CE1-CE1 4.12Å; F53-F61 AromaticContact CE1-CZ 3.78Å; F53-F61 HydrophobicContact CE1-CZ 3.78Å; F53-F61 HydrophobicContact CE2-CE1 4.26Å; F53-F61 HydrophobicContact CG-CZ 4.32Å; F53-F61 AromaticContact CZ-CE1 3.96Å; F53-F61 HydrophobicContact CZ-CE1 3.96Å; F53-F61 HydrophobicContact CZ-CZ 4.1Å; S57-F61 WeakPolarHBondContact O-CD2 3.19Å; S57-F61 PolarHBondContact O-N 3.05Å; S58-F61 PolarHBondContact O-N 2.98Å; F59-F61 VanDerWaalsContact C-N 3.29Å; F59-F61 PolarHBondContact O-N 3.37Å; F61-F64 WeakPolarHBondContact O-CB 3.14Å; F61-F64 PolarHBondContact O-N 3.14Å; F61-F65 HydrophobicContact CB-CE2 4.23Å; F61-F65 WeakPolarHBondContact O-CD2 3.46Å; F61-F65 PolarHBondContact O-N 3.5Å; F61-V127 HydrophobicContact CD1-CG1 3.63Å; F61-V127 HydrophobicContact CE1-CG1 3.6Å; F61-Y131 HydrophobicContact CB-CD2 3.71Å; F61-Y131 HydrophobicContact CB-CE2 3.98Å; F61-Y131 HydrophobicContact CD2-CD2 4.26Å; F61-Y131 AromaticContact CG-CD2 4Å; F61-Y131 HydrophobicContact CG-CD2 4Å
62M79.4Confident78.2Confident84 Ų8456.6 Ų56.641%0.41427%0.267SS..Hα-helixtrans-65.2-43.9179.5-166.6173.4-171.100112.1S58 F59 F64 F65 F66 I138S58-M62 PolarHBondContact O-N 3.39Å; F59-M62 PolarHBondContact O-N 3.13Å; F59-M62 VanDerWaalsContact O-N 3.13Å; M62-F64 VanDerWaalsContact C-N 3.34Å; M62-F64 PolarHBondContact O-N 3.2Å; M62-F65 PolarHBondContact O-N 3.31Å; M62-F66 WeakPolarHBondContact O-CB 3.3Å; M62-F66 PolarHBondContact O-N 3.4Å; M62-I138 HydrophobicContact CE-CD1 4.03Å; M62-I138 HydrophobicContact CE-CG1 4.26Å; M62-I138 HydrophobicContact CE-CG2 4.35Å; M62-I138 HydrophobicContact SD-CG1 4.5Å
63V80.8Confident79.2Confident53 Ų5360.2 Ų60.232%0.32129%0.285SS..Hα-helixtrans-62.5-41.9174.5175.80000111F59 F66 V67F59-V63 HydrophobicContact CE1-CG2 4.07Å; F59-V63 HydrophobicContact CE2-CG2 4.48Å; F59-V63 HydrophobicContact CZ-CG2 4.04Å; F59-V63 PolarHBondContact O-N 3.02Å; F59-V63 VanDerWaalsContact O-N 3.14Å; V63-F66 PolarHBondContact O-N 3.4Å; V63-V67 HydrophobicContact CG1-CG2 4.24Å; V63-V67 WeakPolarHBondContact O-CG2 3.37Å; V63-V67 PolarHBondContact O-N 3.02Å
64F82.9Confident80Confident1 Ų159.8 Ų59.80%0.00428%0.284CS..Hα-helixtrans-57.6-50.1175.6168.8-97.2000112.2W45 P48 V49 N60 F61 M62 F66 L68 V127W45-F64 AromaticContact CD2-CE2 3.96Å; W45-F64 HydrophobicContact CD2-CE2 3.96Å; W45-F64 HydrophobicContact CE3-CE2 4.38Å; W45-F64 HydrophobicContact CG-CE2 4.06Å; P48-F64 HydrophobicContact CB-CB 4.32Å; V49-F64 HydrophobicContact CB-CD2 4.01Å; V49-F64 HydrophobicContact CB-CE2 4.11Å; V49-F64 HydrophobicContact CG2-CD1 4.08Å; V49-F64 HydrophobicContact CG2-CD2 3.49Å; V49-F64 VanDerWaalsContact CG2-CD2 3.49Å; V49-F64 HydrophobicContact CG2-CE1 4.08Å; V49-F64 HydrophobicContact CG2-CE2 3.47Å; V49-F64 VanDerWaalsContact CG2-CE2 3.47Å; V49-F64 HydrophobicContact CG2-CG 3.79Å; V49-F64 HydrophobicContact CG2-CZ 3.76Å; N60-F64 WeakPolarHBondContact O-CB 3.38Å; N60-F64 PolarHBondContact O-N 3.47Å; F61-F64 WeakPolarHBondContact O-CB 3.14Å; F61-F64 PolarHBondContact O-N 3.14Å; M62-F64 VanDerWaalsContact C-N 3.34Å; M62-F64 PolarHBondContact O-N 3.2Å; F64-F66 PolarHBondContact O-N 3.35Å; F64-L68 HydrophobicContact CE1-CD2 3.85Å; F64-L68 HydrophobicContact CE2-CD2 4.12Å; F64-L68 HydrophobicContact CZ-CD2 3.49Å; F64-L68 VanDerWaalsContact CZ-CD2 3.49Å; F64-L68 WeakPolarHBondContact O-CB 3.31Å; F64-L68 PolarHBondContact O-N 3Å; F64-V127 HydrophobicContact CD1-CB 4.45Å; F64-V127 HydrophobicContact CD1-CG1 3.91Å; F64-V127 HydrophobicContact CE1-CB 3.72Å; F64-V127 HydrophobicContact CE1-CG1 3.66Å; F64-V127 HydrophobicContact CE1-CG2 3.81Å; F64-V127 HydrophobicContact CZ-CB 4.45Å; F64-V127 HydrophobicContact CZ-CG2 4.05Å
65F83Confident80.8Confident32 Ų3251.5 Ų51.514%0.1425%0.252CS..Hα-helixtrans-62.8-43179.1-67.6-54000112.5F61 M62 F69 L124 V127 H128 Y131F61-F65 HydrophobicContact CB-CE2 4.23Å; F61-F65 WeakPolarHBondContact O-CD2 3.46Å; F61-F65 PolarHBondContact O-N 3.5Å; M62-F65 PolarHBondContact O-N 3.31Å; F65-F69 VanDerWaalsContact O-CB 3.23Å; F65-F69 WeakPolarHBondContact O-CB 3.42Å; F65-F69 PolarHBondContact O-N 3.14Å; F65-L124 HydrophobicContact CD1-CG 4.37Å; F65-V127 HydrophobicContact CE1-CB 3.89Å; F65-V127 HydrophobicContact CE1-CG1 3.77Å; F65-V127 HydrophobicContact CZ-CB 4.17Å; F65-V127 HydrophobicContact CZ-CG1 3.65Å; F65-H128 HydrophobicContact CE1-CB 3.73Å; F65-H128 VanDerWaalsContact CZ-CA 3.4Å; F65-H128 HydrophobicContact CZ-CB 3.94Å; F65-Y131 HydrophobicContact CE2-CD1 4.23Å; F65-Y131 HydrophobicContact CE2-CD2 4.07Å; F65-Y131 AromaticContact CE2-CG 3.83Å; F65-Y131 HydrophobicContact CE2-CG 3.83Å; F65-Y131 HydrophobicContact CZ-CG 4.3Å
66F83.8Confident81.9Confident132 Ų13252 Ų5258%0.57925%0.25SS*.Hα-helixtrans-60.8-51.9179.9-177.8-97.1000111.2M62 V63 F64 F69 F70M62-F66 WeakPolarHBondContact O-CB 3.3Å; M62-F66 PolarHBondContact O-N 3.4Å; V63-F66 PolarHBondContact O-N 3.4Å; F64-F66 PolarHBondContact O-N 3.35Å; F66-F69 PolarHBondContact O-N 3.32Å; F66-F70 HydrophobicContact CD1-CD2 4.35Å; F66-F70 HydrophobicContact CD1-CE2 4.36Å; F66-F70 HydrophobicContact CD2-CE2 4.05Å; F66-F70 HydrophobicContact CE1-CD2 4.1Å; F66-F70 AromaticContact CE1-CE2 3.86Å; F66-F70 HydrophobicContact CE1-CE2 3.86Å; F66-F70 HydrophobicContact CE2-CD2 4.39Å; F66-F70 AromaticContact CE2-CE2 3.53Å; F66-F70 HydrophobicContact CE2-CE2 3.53Å; F66-F70 HydrophobicContact CE2-CZ 4.38Å; F66-F70 HydrophobicContact CG-CE2 4.45Å; F66-F70 HydrophobicContact CZ-CD2 4.13Å; F66-F70 AromaticContact CZ-CE2 3.42Å; F66-F70 HydrophobicContact CZ-CE2 3.42Å; F66-F70 VanDerWaalsContact CZ-CE2 3.42Å; F66-F70 HydrophobicContact CZ-CZ 4.26Å; F66-F70 VanDerWaalsContact O-CD2 3.31Å; F66-F70 WeakPolarHBondContact O-CD2 3.33Å; F66-F70 PolarHBondContact O-N 3.33Å
67V85.1Confident83.1Confident37 Ų3749.6 Ų49.622%0.22424%0.239CC..Hα-helixtrans-68.4-41.2-178.2-178.30000111.4F44 V63 F69 F70 H71F44-V67 HydrophobicContact CB-CB 4.43Å; F44-V67 HydrophobicContact CB-CG1 3.55Å; F44-V67 HydrophobicContact CD1-CG1 4.43Å; F44-V67 HydrophobicContact CG-CG1 3.96Å; V63-V67 HydrophobicContact CG1-CG2 4.24Å; V63-V67 WeakPolarHBondContact O-CG2 3.37Å; V63-V67 PolarHBondContact O-N 3.02Å; V67-F69 VanDerWaalsContact C-N 3.28Å; V67-F69 PolarHBondContact O-N 3.46Å; V67-F70 PolarHBondContact O-N 2.94Å; V67-H71 WeakPolarHBondContact O-CB 3.3Å; V67-H71 PolarHBondContact O-N 3.32Å
68L86.4Confident83.9Confident10 Ų1048.9 Ų48.95%0.05223%0.234CC..Hα-helixtrans-63.1-35.8178.1-174.261.1000112.2W45 F64 H71 C72 M120 L124W45-L68 HydrophobicContact CE3-CD1 3.45Å; W45-L68 VanDerWaalsContact CE3-CD1 3.45Å; W45-L68 HydrophobicContact CE3-CD2 4.39Å; W45-L68 HydrophobicContact CZ3-CD1 3.5Å; W45-L68 HydrophobicContact CZ3-CD2 4.19Å; F64-L68 HydrophobicContact CE1-CD2 3.85Å; F64-L68 HydrophobicContact CE2-CD2 4.12Å; F64-L68 HydrophobicContact CZ-CD2 3.49Å; F64-L68 VanDerWaalsContact CZ-CD2 3.49Å; F64-L68 WeakPolarHBondContact O-CB 3.31Å; F64-L68 PolarHBondContact O-N 3Å; L68-H71 PolarHBondContact O-N 2.89Å; L68-C72 PolarHBondContact O-N 3.09Å; L68-C72 PolarHBondContact O-SG 2.83Å; L68-M120 HydrophobicContact CD1-CB 4.11Å; L68-M120 HydrophobicContact CD1-CG 4.3Å; L68-L124 HydrophobicContact CD2-CB 3.7Å; L68-L124 HydrophobicContact CD2-CD1 4.35Å; L68-L124 HydrophobicContact CD2-CG 4.19Å; L68-L124 HydrophobicContact CG-CB 4.45Å; L68-L124 HydrophobicContact CG-CD1 4.31Å
69F86.2Confident84.8Confident113 Ų11349.3 Ų49.350%0.49624%0.237SC..Hα-helixtrans-62-49.8177.2177.7-103.6000112.2F65 F66 V67 H71 C72 I73F65-F69 VanDerWaalsContact O-CB 3.23Å; F65-F69 WeakPolarHBondContact O-CB 3.42Å; F65-F69 PolarHBondContact O-N 3.14Å; F66-F69 PolarHBondContact O-N 3.32Å; V67-F69 VanDerWaalsContact C-N 3.28Å; V67-F69 PolarHBondContact O-N 3.46Å; F69-H71 VanDerWaalsContact C-N 3.31Å; F69-H71 PolarHBondContact O-N 3.47Å; F69-C72 WeakPolarHBondContact O-CB 3.42Å; F69-C72 PolarHBondContact O-N 3.5Å; F69-I73 HydrophobicContact CD1-CD1 4.13Å; F69-I73 HydrophobicContact CE1-CD1 3.61Å; F69-I73 HydrophobicContact CZ-CD1 3.9Å; F69-I73 PolarHBondContact O-N 3.29Å; F69-I73 VanDerWaalsContact O-N 3.16Å
70F87.7Confident85.7Confident92 Ų9248.2 Ų48.240%0.40423%0.234SC..Hα-helixtrans-63.1-39.7175-76.9-76.8000111.8F66 V67 C72 I73 F74F66-F70 HydrophobicContact CD1-CD2 4.35Å; F66-F70 HydrophobicContact CD1-CE2 4.36Å; F66-F70 HydrophobicContact CD2-CE2 4.05Å; F66-F70 HydrophobicContact CE1-CD2 4.1Å; F66-F70 AromaticContact CE1-CE2 3.86Å; F66-F70 HydrophobicContact CE1-CE2 3.86Å; F66-F70 HydrophobicContact CE2-CD2 4.39Å; F66-F70 AromaticContact CE2-CE2 3.53Å; F66-F70 HydrophobicContact CE2-CE2 3.53Å; F66-F70 HydrophobicContact CE2-CZ 4.38Å; F66-F70 HydrophobicContact CG-CE2 4.45Å; F66-F70 HydrophobicContact CZ-CD2 4.13Å; F66-F70 AromaticContact CZ-CE2 3.42Å; F66-F70 HydrophobicContact CZ-CE2 3.42Å; F66-F70 VanDerWaalsContact CZ-CE2 3.42Å; F66-F70 HydrophobicContact CZ-CZ 4.26Å; F66-F70 VanDerWaalsContact O-CD2 3.31Å; F66-F70 WeakPolarHBondContact O-CD2 3.33Å; F66-F70 PolarHBondContact O-N 3.33Å; V67-F70 PolarHBondContact O-N 2.94Å; F70-C72 VanDerWaalsContact C-N 3.28Å; F70-C72 PolarHBondContact O-N 3.44Å; F70-I73 WeakPolarHBondContact O-CB 3.38Å; F70-I73 PolarHBondContact O-N 3.01Å; F70-F74 WeakPolarHBondContact O-CD2 3.39Å; F70-F74 PolarHBondContact O-N 2.87Å
71H87.6Confident85.8Confident21 Ų2147 Ų4710%0.09723%0.228CC..Hα-helixtrans-62.7-35.6177.5-155.6104.3000112.3Y2 S41 V67 L68 F69 F74 T75 M120Y2-H71 AromaticContact CD1-NE2 3.57Å; Y2-H71 AromaticContact CE1-CE1 3.73Å; Y2-H71 AromaticContact CE1-NE2 3.13Å; Y2-H71 WeakPolarHBondContact CE1-NE2 3.47Å; Y2-H71 AromaticContact CZ-NE2 3.5Å; S41-H71 PolarHBondContact OG-CE1 3.45Å; S41-H71 VanDerWaalsContact OG-CE1 3.31Å; V67-H71 WeakPolarHBondContact O-CB 3.3Å; V67-H71 PolarHBondContact O-N 3.32Å; L68-H71 PolarHBondContact O-N 2.89Å; F69-H71 VanDerWaalsContact C-N 3.31Å; F69-H71 PolarHBondContact O-N 3.47Å; H71-F74 PolarHBondContact O-N 3.07Å; H71-T75 WeakPolarHBondContact O-CB 3.29Å; H71-T75 PolarHBondContact O-N 3.16Å; H71-T75 PolarHBondContact O-OG1 3.44Å; H71-M120 WeakPolarHBondContact CD2-CE 3.39Å; H71-M120 VanDerWaalsContact CD2-SD 3.59Å
72C88.8Confident85.5Confident14 Ų1450.6 Ų50.610%0.09525%0.248CC..Hα-helixtrans-62.1-43.2170.6-79.90000111.7L68 F69 F70 T75 F76 L117 M120L68-C72 PolarHBondContact O-N 3.09Å; L68-C72 PolarHBondContact O-SG 2.83Å; F69-C72 WeakPolarHBondContact O-CB 3.42Å; F69-C72 PolarHBondContact O-N 3.5Å; F70-C72 VanDerWaalsContact C-N 3.28Å; F70-C72 PolarHBondContact O-N 3.44Å; C72-T75 PolarHBondContact O-N 2.96Å; C72-F76 VanDerWaalsContact O-CB 3.29Å; C72-F76 WeakPolarHBondContact O-CB 3.47Å; C72-F76 PolarHBondContact O-N 3Å; C72-L117 HydrophobicContact CB-CD1 4.24Å; C72-L117 WeakPolarHBondContact O-CD1 3.4Å; C72-M120 VanDerWaalsContact SG-CB 3.53Å
73I89.8Confident84.7Confident76 Ų7652.3 Ų52.339%0.3927%0.268SS..Hα-helixtrans-61.8-46.8176.9-64.3170.7000110.5F69 F70 T75 F76 V77F69-I73 HydrophobicContact CD1-CD1 4.13Å; F69-I73 HydrophobicContact CE1-CD1 3.61Å; F69-I73 HydrophobicContact CZ-CD1 3.9Å; F69-I73 PolarHBondContact O-N 3.29Å; F69-I73 VanDerWaalsContact O-N 3.16Å; F70-I73 WeakPolarHBondContact O-CB 3.38Å; F70-I73 PolarHBondContact O-N 3.01Å; I73-T75 PolarHBondContact O-N 3.38Å; I73-F76 WeakPolarHBondContact O-CB 3.28Å; I73-F76 PolarHBondContact O-N 3.4Å; I73-V77 WeakPolarHBondContact O-CG2 3.45Å; I73-V77 PolarHBondContact O-N 2.93Å
74F87.8Confident84.3Confident93 Ų9354 Ų5441%0.40828%0.275SS..Hα-helixtrans-59.6-46.7176.7-78.7-70000112.1F70 H71 F76 V77 Q78F70-F74 WeakPolarHBondContact O-CD2 3.39Å; F70-F74 PolarHBondContact O-N 2.87Å; H71-F74 PolarHBondContact O-N 3.07Å; F74-F76 VanDerWaalsContact C-N 3.28Å; F74-F76 PolarHBondContact O-N 3.25Å; F74-V77 PolarHBondContact O-N 2.8Å; F74-Q78 WeakPolarHBondContact O-CG 3.44Å; F74-Q78 PolarHBondContact O-N 3.06Å
75T88.9Confident83.7Confident0 Ų057.3 Ų57.30%029%0.288CS..Hα-helixtrans-64.2-34.6177.7-51.80000111.6Y2 H71 C72 I73 Q78 T79 F113 L117 M120Y2-T75 HydrophobicContact CD2-CG2 4.15Å; Y2-T75 HydrophobicContact CE2-CG2 3.88Å; Y2-T75 WeakPolarHBondContact CE2-OG1 3.38Å; H71-T75 WeakPolarHBondContact O-CB 3.29Å; H71-T75 PolarHBondContact O-N 3.16Å; H71-T75 PolarHBondContact O-OG1 3.44Å; C72-T75 PolarHBondContact O-N 2.96Å; I73-T75 PolarHBondContact O-N 3.38Å; T75-Q78 PolarHBondContact O-N 3.04Å; T75-T79 WeakPolarHBondContact O-CB 3.47Å; T75-T79 PolarHBondContact O-N 3.44Å; T75-T79 PolarHBondContact O-OG1 3.28Å; T75-F113 HydrophobicContact CG2-CD1 4.48Å; T75-L117 HydrophobicContact CG2-CB 3.93Å; T75-L117 HydrophobicContact CG2-CD1 4.4Å; T75-M120 HydrophobicContact CG2-SD 4.35Å; T75-M120 PolarHBondContact OG1-SD 3.34Å
76F89.9Confident83.5Confident104 Ų10455.8 Ų55.846%0.45628%0.281SS..Hα-helixtrans-64.9-44.4175.3179.3-110.3000111.8C72 I73 F74 Q78 T79 L80 L117C72-F76 VanDerWaalsContact O-CB 3.29Å; C72-F76 WeakPolarHBondContact O-CB 3.47Å; C72-F76 PolarHBondContact O-N 3Å; I73-F76 WeakPolarHBondContact O-CB 3.28Å; I73-F76 PolarHBondContact O-N 3.4Å; F74-F76 VanDerWaalsContact C-N 3.28Å; F74-F76 PolarHBondContact O-N 3.25Å; F76-Q78 VanDerWaalsContact C-N 3.34Å; F76-Q78 PolarHBondContact O-N 3.38Å; F76-T79 WeakPolarHBondContact O-CB 3.18Å; F76-T79 PolarHBondContact O-N 2.93Å; F76-T79 VanDerWaalsContact O-N 3.17Å; F76-L80 HydrophobicContact CD1-CD1 4.21Å; F76-L80 HydrophobicContact CE1-CD1 3.65Å; F76-L80 HydrophobicContact CE1-CG 4.41Å; F76-L80 HydrophobicContact CE2-CD1 4.42Å; F76-L80 HydrophobicContact CE2-CG 4.41Å; F76-L80 HydrophobicContact CZ-CD1 3.77Å; F76-L80 HydrophobicContact CZ-CD2 4.44Å; F76-L80 HydrophobicContact CZ-CG 4.24Å; F76-L80 PolarHBondContact O-N 2.88Å; F76-L117 HydrophobicContact CB-CD1 4.27Å; F76-L117 HydrophobicContact CB-CD2 4.09Å; F76-L117 HydrophobicContact CD2-CD2 3.74Å; F76-L117 HydrophobicContact CG-CD2 4.42Å
77V89.8Confident83.5Confident53 Ų5349.5 Ų49.532%0.32125%0.254SS..Hα-helixtrans-61.1-43174.6174.40000111.3I73 F74 T79 L80 G81I73-V77 WeakPolarHBondContact O-CG2 3.45Å; I73-V77 PolarHBondContact O-N 2.93Å; F74-V77 PolarHBondContact O-N 2.8Å; V77-T79 VanDerWaalsContact C-N 3.33Å; V77-T79 PolarHBondContact O-N 3.28Å; V77-L80 PolarHBondContact O-N 2.94Å; V77-G81 PolarHBondContact O-N 3.36Å
78Q87.3Confident83.5Confident0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-61.9-39.8174.3-71.9169.9-9.300112.4Y2 F74 T75 F76 L80 G81 Y85 A86 F113Y2-Q78 PolarHBondContact OH-NE2 2.93Å; Y2-Q78 PolarHBondContact OH-OE1 2.99Å; Y2-Q78 VanDerWaalsContact OH-OE1 3.11Å; F74-Q78 WeakPolarHBondContact O-CG 3.44Å; F74-Q78 PolarHBondContact O-N 3.06Å; T75-Q78 PolarHBondContact O-N 3.04Å; F76-Q78 VanDerWaalsContact C-N 3.34Å; F76-Q78 PolarHBondContact O-N 3.38Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; Q78-L80 PolarHBondContact O-N 3.48Å; Q78-G81 PolarHBondContact O-N 2.91Å; Q78-Y85 HydrophobicContact CG-CD1 3.97Å; Q78-Y85 HydrophobicContact CG-CE1 4.04Å; Q78-A86 HydrophobicContact CB-CB 3.99Å; Q78-A86 HydrophobicContact CG-CB 4.14Å; Q78-F113 HydrophobicContact CB-CD1 4.26Å; Q78-F113 HydrophobicContact CB-CE1 4.18Å; Q78-F113 HydrophobicContact CB-CZ 4.36Å; Q78-F113 VanDerWaalsContact OE1-CE1 3.23Å
79T89.7Confident83.6Confident8 Ų851.7 Ų51.75%0.04926%0.257CS..Hα-helixtrans-63.5-41.4178.2-57.50000111.2T75 F76 V77 G88 W89 T114T75-T79 WeakPolarHBondContact O-CB 3.47Å; T75-T79 PolarHBondContact O-N 3.44Å; T75-T79 PolarHBondContact O-OG1 3.28Å; F76-T79 WeakPolarHBondContact O-CB 3.18Å; F76-T79 PolarHBondContact O-N 2.93Å; F76-T79 VanDerWaalsContact O-N 3.17Å; V77-T79 VanDerWaalsContact C-N 3.33Å; V77-T79 PolarHBondContact O-N 3.28Å; T79-G88 CarbonylContact O-C 3.57Å; T79-G88 VanDerWaalsContact O-CA 3.26Å; T79-G88 WeakPolarHBondContact O-CA 3.45Å; T79-W89 VanDerWaalsContact O-CD1 3.31Å; T79-W89 PolarHBondContact O-N 3.11Å; T79-T114 VanDerWaalsContact CG2-OG1 3.28Å; T79-T114 WeakPolarHBondContact CG2-OG1 3.46Å
80L87.9Confident83.7Confident54 Ų5449.8 Ų49.828%0.28325%0.252SS..Hα-helixtrans-68.4-36.8175.4-66.8178.8000111.9F76 V77 Q78 L82 W89 I90F76-L80 HydrophobicContact CD1-CD1 4.21Å; F76-L80 HydrophobicContact CE1-CD1 3.65Å; F76-L80 HydrophobicContact CE1-CG 4.41Å; F76-L80 HydrophobicContact CE2-CD1 4.42Å; F76-L80 HydrophobicContact CE2-CG 4.41Å; F76-L80 HydrophobicContact CZ-CD1 3.77Å; F76-L80 HydrophobicContact CZ-CD2 4.44Å; F76-L80 HydrophobicContact CZ-CG 4.24Å; F76-L80 PolarHBondContact O-N 2.88Å; V77-L80 PolarHBondContact O-N 2.94Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; Q78-L80 PolarHBondContact O-N 3.48Å; L80-L82 HydrophobicContact CB-CD1 4.4Å; L80-L82 HydrophobicContact CB-CG 4.11Å; L80-L82 HydrophobicContact CD1-CD1 4.02Å; L80-W89 PolarHBondContact O-N 3.02Å; L80-I90 HydrophobicContact CB-CD1 4.42Å; L80-I90 WeakPolarHBondContact O-CB 3.38Å; L80-I90 VanDerWaalsContact O-CG1 3.29Å; L80-I90 WeakPolarHBondContact O-CG1 3.08Å; L80-I90 PolarHBondContact O-N 2.99Å
81G80.9Confident83.6Confident3 Ų345.8 Ų45.83%0.03123%0.234CC..THydrogen-bonded Turntrans75.128.7-178.500000113.2V77 Q78 S83V77-G81 PolarHBondContact O-N 3.36Å; Q78-G81 PolarHBondContact O-N 2.91Å; G81-S83 PolarHBondContact O-N 3.24Å
82L72.1Confident83.5Confident83 Ų8344.8 Ų44.844%0.43523%0.23SC..G310 helixtrans-61.2135.2177.6-69.8168.2000110.6L80 N84 Y85 I90L80-L82 HydrophobicContact CB-CD1 4.4Å; L80-L82 HydrophobicContact CB-CG 4.11Å; L80-L82 HydrophobicContact CD1-CD1 4.02Å; L82-N84 PolarHBondContact O-N 2.9Å; L82-Y85 WeakPolarHBondContact O-CB 3.35Å; L82-Y85 PolarHBondContact O-N 3.32Å; L82-I90 HydrophobicContact CD2-CD1 3.47Å; L82-I90 VanDerWaalsContact CD2-CD1 3.47Å; L82-I90 HydrophobicContact CG-CD1 4.07Å
83S62.8Low83.5Confident120 Ų12048.8 Ų48.884%0.83925%0.25SC*.G310 helixtrans55.146.2170.7-55.80000115.2G81 Y85G81-S83 PolarHBondContact O-N 3.24Å; S83-Y85 PolarHBondContact O-N 3Å; S83-Y85 VanDerWaalsContact O-N 3.11Å
84N71.4Confident83.3Confident88 Ų8850 Ų5047%0.47126%0.257SS..G310 helixtrans59.624.7173.6-62.3-35.4000113.9Q26 L82Q26-N84 HydrophobicContact CG-CB 3.8Å; Q26-N84 WeakPolarHBondContact CG-O 3.4Å; Q26-N84 PolarHBondContact OE1-OD1 3.17Å; L82-N84 PolarHBondContact O-N 2.9Å
85Y70.1Confident83.2Confident70 Ų7045.7 Ų45.728%0.27524%0.238SC..SBendtrans-79.3-34.9-176.9-162-95.6000113L29 Q33 Q78 L82 S83L29-Y85 HydrophobicContact CD2-CD2 3.55Å; L29-Y85 HydrophobicContact CD2-CE2 3.86Å; L29-Y85 HydrophobicContact CD2-CG 3.95Å; L29-Y85 WeakPolarHBondContact CD2-O 3.29Å; Q33-Y85 PolarHBondContact NE2-O 3.46Å; Q78-Y85 HydrophobicContact CG-CD1 3.97Å; Q78-Y85 HydrophobicContact CG-CE1 4.04Å; L82-Y85 WeakPolarHBondContact O-CB 3.35Å; L82-Y85 PolarHBondContact O-N 3.32Å; S83-Y85 PolarHBondContact O-N 3Å; S83-Y85 VanDerWaalsContact O-N 3.11Å
86A80.2Confident83.2Confident1 Ų149 Ų491%0.00825%0.253CS..SBendtrans-156.4162.617600000109.9Q78 G88 N91 F113Q78-A86 HydrophobicContact CB-CB 3.99Å; Q78-A86 HydrophobicContact CG-CB 4.14Å; A86-G88 VanDerWaalsContact C-N 3.31Å; A86-G88 PolarHBondContact O-N 3.41Å; A86-N91 PolarHBondContact O-ND2 2.91Å; A86-F113 HydrophobicContact CB-CE2 4.21Å
87C82.1Confident83Confident0 Ų051.1 Ų51.10%027%0.269CS..SBendtrans-72.384.5167-63.90000109.4N9 A12 S13 N91 M106 S109N9-C87 WeakPolarHBondContact OD1-CB 3.39Å; N9-C87 PolarHBondContact OD1-N 3.44Å; A12-C87 HydrophobicContact CB-CB 4.06Å; S13-C87 PolarHBondContact OG-SG 2.9Å; C87-N91 WeakPolarHBondContact CA-ND2 3.23Å; C87-M106 HydrophobicContact CB-CB 4.31Å; C87-M106 HydrophobicContact CB-CE 4.1Å; C87-M106 HydrophobicContact CB-CG 4.16Å; C87-S109 WeakPolarHBondContact O-CB 3.13Å; C87-S109 PolarHBondContact O-OG 2.84Å
88G85.1Confident82.9Confident0 Ų053 Ų530%028%0.281CS..  trans-106.2-164.3178.100000112.3T79 A86 N91 A92T79-G88 CarbonylContact O-C 3.57Å; T79-G88 VanDerWaalsContact O-CA 3.26Å; T79-G88 WeakPolarHBondContact O-CA 3.45Å; A86-G88 VanDerWaalsContact C-N 3.31Å; A86-G88 PolarHBondContact O-N 3.41Å; G88-N91 VanDerWaalsContact C-OD1 3.3Å; G88-N91 PolarHBondContact N-OD1 2.84Å; G88-N91 PolarHBondContact O-OD1 3.43Å; G88-A92 WeakPolarHBondContact O-CB 3.08Å; G88-A92 PolarHBondContact O-N 2.82Å
89W89.4Confident82.9Confident92 Ų9254.1 Ų54.135%0.34829%0.288SS..Hα-helixtrans-66-43.4-175.1-77.899.5000113.4T79 L80 A92 L93 L107 A110 I111 T114T79-W89 VanDerWaalsContact O-CD1 3.31Å; T79-W89 PolarHBondContact O-N 3.11Å; L80-W89 PolarHBondContact O-N 3.02Å; W89-A92 PolarHBondContact O-N 3.47Å; W89-L93 VanDerWaalsContact O-CG 3.28Å; W89-L93 WeakPolarHBondContact O-CG 3.3Å; W89-L93 PolarHBondContact O-N 3.39Å; W89-L93 VanDerWaalsContact O-N 3.07Å; W89-L107 HydrophobicContact CH2-CD2 4.33Å; W89-L107 HydrophobicContact CZ3-CD1 4.34Å; W89-L107 HydrophobicContact CZ3-CD2 4.33Å; W89-L107 HydrophobicContact CZ3-CG 4.14Å; W89-A110 HydrophobicContact CD2-CB 4.05Å; W89-A110 HydrophobicContact CG-CB 4.03Å; W89-I111 HydrophobicContact CH2-CG1 4.19Å; W89-I111 HydrophobicContact CZ2-CG1 4.06Å; W89-T114 PolarHBondContact NE1-OG1 2.58Å
90I87.8Confident82.9Confident73 Ų7357.8 Ų57.837%0.37431%0.31SS..Hα-helixtrans-65.8-52.5-172.8-64.1168000110.7L80 L82 A92 L93 D94L80-I90 HydrophobicContact CB-CD1 4.42Å; L80-I90 WeakPolarHBondContact O-CB 3.38Å; L80-I90 VanDerWaalsContact O-CG1 3.29Å; L80-I90 WeakPolarHBondContact O-CG1 3.08Å; L80-I90 PolarHBondContact O-N 2.99Å; L82-I90 HydrophobicContact CD2-CD1 3.47Å; L82-I90 VanDerWaalsContact CD2-CD1 3.47Å; L82-I90 HydrophobicContact CG-CD1 4.07Å; I90-A92 PolarHBondContact O-N 3.26Å; I90-L93 PolarHBondContact O-N 2.94Å; I90-D94 PolarHBondContact O-N 3.46Å
91N86Confident83Confident8 Ų859.4 Ų59.44%0.04332%0.324CS..Hα-helixtrans-72.2-26.9-179.361.1-8.1000113.5Q26 A86 C87 G88 L93 T95 M106Q26-N91 PolarHBondContact NE2-ND2 3.21Å; A86-N91 PolarHBondContact O-ND2 2.91Å; C87-N91 WeakPolarHBondContact CA-ND2 3.23Å; G88-N91 VanDerWaalsContact C-OD1 3.3Å; G88-N91 PolarHBondContact N-OD1 2.84Å; G88-N91 PolarHBondContact O-OD1 3.43Å; N91-L93 VanDerWaalsContact C-N 3.34Å; N91-T95 WeakPolarHBondContact O-CB 3.39Å; N91-T95 PolarHBondContact O-N 3Å; N91-T95 VanDerWaalsContact O-N 3.12Å; N91-T95 PolarHBondContact O-OG1 3.39Å; N91-M106 HydrophobicContact CB-CE 3.83Å
92A86.1Confident83.4Confident0 Ų059.9 Ų59.90%033%0.326CS..Hα-helixtrans-62.6-43.2169.900000111.1G88 W89 I90 T95 F96 M106 L107G88-A92 WeakPolarHBondContact O-CB 3.08Å; G88-A92 PolarHBondContact O-N 2.82Å; W89-A92 PolarHBondContact O-N 3.47Å; I90-A92 PolarHBondContact O-N 3.26Å; A92-T95 PolarHBondContact O-N 3.47Å; A92-F96 VanDerWaalsContact O-CD2 3.22Å; A92-F96 WeakPolarHBondContact O-CD2 3.34Å; A92-M106 HydrophobicContact CB-CB 3.72Å; A92-L107 HydrophobicContact CB-CB 4.49Å
93L87.4Confident84.2Confident99 Ų9955.9 Ų55.952%0.51831%0.305SS..Hα-helixtrans-64.8-43.5177.5-70.8173.4000112.2W89 I90 N91 T95 F96W89-L93 VanDerWaalsContact O-CG 3.28Å; W89-L93 WeakPolarHBondContact O-CG 3.3Å; W89-L93 PolarHBondContact O-N 3.39Å; W89-L93 VanDerWaalsContact O-N 3.07Å; I90-L93 PolarHBondContact O-N 2.94Å; N91-L93 VanDerWaalsContact C-N 3.34Å; L93-T95 VanDerWaalsContact C-N 3.26Å; L93-T95 PolarHBondContact O-N 3.44Å; L93-F96 HydrophobicContact CD2-CD2 4.49Å; L93-F96 HydrophobicContact CD2-CE2 4.4Å; L93-F96 PolarHBondContact O-N 3.16Å
94D86.3Confident85.5Confident102 Ų10254.6 Ų54.655%0.54529%0.288SS..Hα-helixtrans-61.9-36.1177.2-70.2-24.7000112.3I90 F96 N97I90-D94 PolarHBondContact O-N 3.46Å; D94-F96 PolarHBondContact O-N 2.95Å; D94-N97 PolarHBondContact O-N 3.37Å; D94-N97 PolarHBondContact O-ND2 3.16Å
95T86.1Confident86.5Confident1 Ų153.5 Ų53.51%0.00628%0.282CS..Hα-helixtrans-69.1-17.9-177.7-57.60000113.4Y16 A20 N91 A92 L93 N97 V98 S99 I102 A103 M106Y16-T95 HydrophobicContact CD2-CG2 3.87Å; Y16-T95 HydrophobicContact CE2-CG2 3.68Å; Y16-T95 WeakPolarHBondContact CE2-OG1 3.05Å; A20-T95 HydrophobicContact CB-CG2 4.22Å; N91-T95 WeakPolarHBondContact O-CB 3.39Å; N91-T95 PolarHBondContact O-N 3Å; N91-T95 VanDerWaalsContact O-N 3.12Å; N91-T95 PolarHBondContact O-OG1 3.39Å; A92-T95 PolarHBondContact O-N 3.47Å; L93-T95 VanDerWaalsContact C-N 3.26Å; L93-T95 PolarHBondContact O-N 3.44Å; T95-N97 PolarHBondContact O-N 3.31Å; T95-V98 PolarHBondContact O-N 2.85Å; T95-S99 PolarHBondContact O-N 3.46Å; T95-I102 HydrophobicContact CG2-CB 4.26Å; T95-I102 HydrophobicContact CG2-CG2 4.11Å; T95-A103 HydrophobicContact CG2-CB 4.13Å; T95-M106 HydrophobicContact CG2-SD 4Å; T95-M106 PolarHBondContact OG1-SD 3.11Å
96F88.4Confident87.4Confident71 Ų7150.2 Ų50.231%0.31127%0.269SS..THydrogen-bonded Turntrans-60.7-27.5174.8-83.6-83.5000113A92 L93 D94 V98 A103 L104 L107A92-F96 VanDerWaalsContact O-CD2 3.22Å; A92-F96 WeakPolarHBondContact O-CD2 3.34Å; L93-F96 HydrophobicContact CD2-CD2 4.49Å; L93-F96 HydrophobicContact CD2-CE2 4.4Å; L93-F96 PolarHBondContact O-N 3.16Å; D94-F96 PolarHBondContact O-N 2.95Å; F96-V98 PolarHBondContact O-N 3.39Å; F96-A103 HydrophobicContact CB-CB 4.29Å; F96-A103 HydrophobicContact CD1-CB 3.76Å; F96-A103 HydrophobicContact CD2-CB 3.6Å; F96-A103 HydrophobicContact CE1-CB 3.9Å; F96-A103 HydrophobicContact CE2-CB 3.75Å; F96-A103 HydrophobicContact CG-CB 3.62Å; F96-A103 HydrophobicContact CZ-CB 3.89Å; F96-L104 HydrophobicContact CE1-CD2 4.36Å; F96-L104 HydrophobicContact CZ-CD2 4.3Å; F96-L107 HydrophobicContact CE2-CD1 3.91Å; F96-L107 HydrophobicContact CZ-CD1 3.93Å
97N86.2Confident88Confident147 Ų14752 Ų5279%0.78628%0.278SS*.THydrogen-bonded Turntrans-76.2-12.6176.6-62.6-66.3000113.1D94 T95D94-N97 PolarHBondContact O-N 3.37Å; D94-N97 PolarHBondContact O-ND2 3.16Å; T95-N97 PolarHBondContact O-N 3.31Å
98V86.6Confident88.5Confident94 Ų9456.2 Ų56.257%0.5730%0.3SS*.THydrogen-bonded Turntrans-104.5-57.2-178.7-177.50000110.4A20 T95 F96A20-V98 HydrophobicContact CB-CG1 4.14Å; T95-V98 PolarHBondContact O-N 2.85Å; F96-V98 PolarHBondContact O-N 3.39Å
99S87.6Confident88.7Confident23 Ų2356.2 Ų56.216%0.16130%0.3CS..  trans-154.6115.3179.856.30000112.1T95 P101 I102 A103T95-S99 PolarHBondContact O-N 3.46Å; S99-P101 VanDerWaalsContact C-CD 3.49Å; S99-I102 PolarHBondContact O-N 3.31Å; S99-I102 WeakPolarHBondContact OG-CB 3.4Å; S99-I102 VanDerWaalsContact OG-CG1 3.22Å; S99-I102 WeakPolarHBondContact OG-CG1 3.26Å; S99-A103 WeakPolarHBondContact O-CB 3.26Å; S99-A103 PolarHBondContact O-N 3.12Å
100V90.2Very high88.9Confident85 Ų8551.8 Ų51.852%0.51528%0.283SS..Hα-helixtrans-52-47.4176.7-176.50000113.6I102 A103 L104V100-I102 VanDerWaalsContact C-N 3.33Å; V100-I102 PolarHBondContact O-N 2.91Å; V100-A103 PolarHBondContact O-N 3.5Å; V100-L104 HydrophobicContact CG1-CD1 4.41Å; V100-L104 WeakPolarHBondContact O-CG 3.42Å; V100-L104 PolarHBondContact O-N 3.32Å
101P89.8Confident89.1Confident87 Ų8752 Ų5257%0.56528%0.284SS*.Hα-helixtrans-65.3-34.8-176.624-34000113.2S99 L105S99-P101 VanDerWaalsContact C-CD 3.49Å; P101-L105 PolarHBondContact O-N 2.9Å
102I89.5Confident89.3Confident13 Ų1353.3 Ų53.37%0.06729%0.292CS..Hα-helixtrans-75.4-39.1178.9-54.4-57.9000110.6F15 Y16 F19 A20 T95 S99 V100 L104 L105 M106F15-I102 HydrophobicContact CB-CD1 4.14Å; Y16-I102 HydrophobicContact CD2-CG2 3.96Å; F19-I102 HydrophobicContact CB-CD1 3.74Å; F19-I102 HydrophobicContact CB-CG1 3.97Å; F19-I102 HydrophobicContact CD2-CD1 4.3Å; F19-I102 HydrophobicContact CG-CD1 4.32Å; A20-I102 HydrophobicContact CB-CB 4.28Å; A20-I102 HydrophobicContact CB-CG1 4.32Å; A20-I102 HydrophobicContact CB-CG2 3.93Å; T95-I102 HydrophobicContact CG2-CB 4.26Å; T95-I102 HydrophobicContact CG2-CG2 4.11Å; S99-I102 PolarHBondContact O-N 3.31Å; S99-I102 WeakPolarHBondContact OG-CB 3.4Å; S99-I102 VanDerWaalsContact OG-CG1 3.22Å; S99-I102 WeakPolarHBondContact OG-CG1 3.26Å; V100-I102 VanDerWaalsContact C-N 3.33Å; V100-I102 PolarHBondContact O-N 2.91Å; I102-L104 VanDerWaalsContact C-N 3.28Å; I102-L104 PolarHBondContact O-N 2.99Å; I102-L105 HydrophobicContact CD1-CD1 4.44Å; I102-L105 WeakPolarHBondContact O-CB 3.44Å; I102-L105 PolarHBondContact O-N 2.78Å; I102-L105 VanDerWaalsContact O-N 3.12Å; I102-M106 HydrophobicContact CG2-SD 4.41Å; I102-M106 WeakPolarHBondContact O-CG 3.29Å; I102-M106 PolarHBondContact O-N 3.45Å
103A89.1Confident89.5Confident0 Ų053.3 Ų53.30%029%0.292CS..Hα-helixtrans-57.8-41.4174.100000111.7T95 F96 S99 V100 L105 M106 L107T95-A103 HydrophobicContact CG2-CB 4.13Å; F96-A103 HydrophobicContact CB-CB 4.29Å; F96-A103 HydrophobicContact CD1-CB 3.76Å; F96-A103 HydrophobicContact CD2-CB 3.6Å; F96-A103 HydrophobicContact CE1-CB 3.9Å; F96-A103 HydrophobicContact CE2-CB 3.75Å; F96-A103 HydrophobicContact CG-CB 3.62Å; F96-A103 HydrophobicContact CZ-CB 3.89Å; S99-A103 WeakPolarHBondContact O-CB 3.26Å; S99-A103 PolarHBondContact O-N 3.12Å; V100-A103 PolarHBondContact O-N 3.5Å; A103-L105 PolarHBondContact O-N 2.94Å; A103-M106 PolarHBondContact O-N 3.43Å; A103-L107 WeakPolarHBondContact O-CB 3.28Å; A103-L107 PolarHBondContact O-N 2.91Å
104L91.2Very high89.8Confident92 Ų9250.8 Ų50.848%0.48228%0.281SS..Hα-helixtrans-61.9-41.7174.4-69.2176000112.7F96 V100 I102 L107 I108F96-L104 HydrophobicContact CE1-CD2 4.36Å; F96-L104 HydrophobicContact CZ-CD2 4.3Å; V100-L104 HydrophobicContact CG1-CD1 4.41Å; V100-L104 WeakPolarHBondContact O-CG 3.42Å; V100-L104 PolarHBondContact O-N 3.32Å; I102-L104 VanDerWaalsContact C-N 3.28Å; I102-L104 PolarHBondContact O-N 2.99Å; L104-L107 WeakPolarHBondContact O-CB 3.26Å; L104-L107 PolarHBondContact O-N 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.43Å; L104-I108 PolarHBondContact O-N 3.34Å
105L90.7Very high90.1Very high66 Ų6649.8 Ų49.835%0.34628%0.279SS..Hα-helixtrans-63.1-42.2175.5-71.5174.6000112.1F15 P101 I102 A103 L107 I108 S109F15-L105 HydrophobicContact CB-CD1 4.09Å; F15-L105 HydrophobicContact CD1-CD1 4.47Å; F15-L105 HydrophobicContact CD2-CD1 4.18Å; F15-L105 HydrophobicContact CG-CD1 4.01Å; P101-L105 PolarHBondContact O-N 2.9Å; I102-L105 HydrophobicContact CD1-CD1 4.44Å; I102-L105 WeakPolarHBondContact O-CB 3.44Å; I102-L105 PolarHBondContact O-N 2.78Å; I102-L105 VanDerWaalsContact O-N 3.12Å; A103-L105 PolarHBondContact O-N 2.94Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 2.93Å; L105-I108 PolarHBondContact O-N 2.93Å; L105-S109 PolarHBondContact O-N 3.45Å
106M90.2Very high90.3Very high0 Ų050 Ų500%028%0.28CS..Hα-helixtrans-65.9-34.1175.4-68.3178.866.800111.9A12 Y16 C87 N91 A92 T95 I102 A103 I108 S109 A110A12-M106 HydrophobicContact CB-CG 4.35Å; Y16-M106 HydrophobicContact CD1-CE 4.41Å; Y16-M106 HydrophobicContact CD1-SD 4.35Å; Y16-M106 HydrophobicContact CD2-CE 4.34Å; Y16-M106 HydrophobicContact CD2-SD 3.43Å; Y16-M106 WeakPolarHBondContact CD2-SD 3.4Å; Y16-M106 HydrophobicContact CE2-SD 3.97Å; Y16-M106 HydrophobicContact CG-CE 4.32Å; Y16-M106 HydrophobicContact CG-SD 3.68Å; C87-M106 HydrophobicContact CB-CB 4.31Å; C87-M106 HydrophobicContact CB-CE 4.1Å; C87-M106 HydrophobicContact CB-CG 4.16Å; N91-M106 HydrophobicContact CB-CE 3.83Å; A92-M106 HydrophobicContact CB-CB 3.72Å; T95-M106 HydrophobicContact CG2-SD 4Å; T95-M106 PolarHBondContact OG1-SD 3.11Å; I102-M106 HydrophobicContact CG2-SD 4.41Å; I102-M106 WeakPolarHBondContact O-CG 3.29Å; I102-M106 PolarHBondContact O-N 3.45Å; A103-M106 PolarHBondContact O-N 3.43Å; M106-I108 VanDerWaalsContact C-N 3.35Å; M106-S109 VanDerWaalsContact O-CB 3.3Å; M106-S109 WeakPolarHBondContact O-CB 3.45Å; M106-S109 PolarHBondContact O-N 3.46Å; M106-A110 PolarHBondContact O-N 2.71Å
107L92.1Very high90.4Very high38 Ų3847.9 Ų47.920%0.19927%0.272CS..Hα-helixtrans-67.1-36.2176.5-155.9146.3000111.6W89 A92 F96 A103 L104 L105 S109 A110 I111W89-L107 HydrophobicContact CH2-CD2 4.33Å; W89-L107 HydrophobicContact CZ3-CD1 4.34Å; W89-L107 HydrophobicContact CZ3-CD2 4.33Å; W89-L107 HydrophobicContact CZ3-CG 4.14Å; A92-L107 HydrophobicContact CB-CB 4.49Å; F96-L107 HydrophobicContact CE2-CD1 3.91Å; F96-L107 HydrophobicContact CZ-CD1 3.93Å; A103-L107 WeakPolarHBondContact O-CB 3.28Å; A103-L107 PolarHBondContact O-N 2.91Å; L104-L107 WeakPolarHBondContact O-CB 3.26Å; L104-L107 PolarHBondContact O-N 3.3Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 2.93Å; L107-S109 VanDerWaalsContact C-N 3.33Å; L107-S109 PolarHBondContact O-N 3.06Å; L107-A110 PolarHBondContact O-N 3.5Å; L107-I111 HydrophobicContact CD2-CD1 3.53Å; L107-I111 HydrophobicContact CD2-CG1 4.08Å; L107-I111 VanDerWaalsContact O-CG1 3.32Å; L107-I111 WeakPolarHBondContact O-CG1 2.95Å; L107-I111 PolarHBondContact O-N 3.39Å
108I92.1Very high90.7Very high89 Ų8944.6 Ų44.646%0.45626%0.257SS..Hα-helixtrans-61.5-42.2171.1-65.2167000110.8V8 L104 L105 M106 I111 T112V8-I108 HydrophobicContact CG1-CG2 4.15Å; L104-I108 WeakPolarHBondContact O-CG1 3.43Å; L104-I108 PolarHBondContact O-N 3.34Å; L105-I108 PolarHBondContact O-N 2.93Å; M106-I108 VanDerWaalsContact C-N 3.35Å; I108-I111 PolarHBondContact O-N 3.22Å; I108-T112 WeakPolarHBondContact O-CB 3.4Å; I108-T112 PolarHBondContact O-N 3.38Å; I108-T112 PolarHBondContact O-OG1 2.96Å
109S90.9Very high90.8Very high0 Ų041.8 Ų41.80%025%0.247CC..Hα-helixtrans-59.1-48.7173.4177.70000111.4N9 C87 L105 M106 L107 I111 T112 F113N9-S109 WeakPolarHBondContact CA-OG 3.37Å; C87-S109 WeakPolarHBondContact O-CB 3.13Å; C87-S109 PolarHBondContact O-OG 2.84Å; L105-S109 PolarHBondContact O-N 3.45Å; M106-S109 VanDerWaalsContact O-CB 3.3Å; M106-S109 WeakPolarHBondContact O-CB 3.45Å; M106-S109 PolarHBondContact O-N 3.46Å; L107-S109 VanDerWaalsContact C-N 3.33Å; L107-S109 PolarHBondContact O-N 3.06Å; S109-I111 PolarHBondContact O-N 2.9Å; S109-T112 PolarHBondContact O-N 3.49Å; S109-T112 VanDerWaalsContact O-N 3.15Å; S109-F113 WeakPolarHBondContact O-CD2 3.4Å; S109-F113 PolarHBondContact O-N 3.2Å
110A91.7Very high90.8Very high0 Ų041.2 Ų41.20%024%0.243CC..Hα-helixtrans-60.6-42.717900000112.9W89 M106 L107 F113 T114W89-A110 HydrophobicContact CD2-CB 4.05Å; W89-A110 HydrophobicContact CG-CB 4.03Å; M106-A110 PolarHBondContact O-N 2.71Å; L107-A110 PolarHBondContact O-N 3.5Å; A110-F113 PolarHBondContact O-N 3.12Å; A110-T114 PolarHBondContact O-N 2.99Å; A110-T114 PolarHBondContact O-OG1 3.31Å
111I92.9Very high90.7Very high77 Ų7740.5 Ų40.540%0.39524%0.238SC..Hα-helixtrans-61.5-46.1174.2-69.9169.4000110.2W89 L107 I108 S109 F113 T114 V115W89-I111 HydrophobicContact CH2-CG1 4.19Å; W89-I111 HydrophobicContact CZ2-CG1 4.06Å; L107-I111 HydrophobicContact CD2-CD1 3.53Å; L107-I111 HydrophobicContact CD2-CG1 4.08Å; L107-I111 VanDerWaalsContact O-CG1 3.32Å; L107-I111 WeakPolarHBondContact O-CG1 2.95Å; L107-I111 PolarHBondContact O-N 3.39Å; I108-I111 PolarHBondContact O-N 3.22Å; S109-I111 PolarHBondContact O-N 2.9Å; I111-F113 VanDerWaalsContact C-N 3.33Å; I111-F113 PolarHBondContact O-N 3.48Å; I111-T114 WeakPolarHBondContact O-CB 3.24Å; I111-T114 PolarHBondContact O-N 2.87Å; I111-T114 VanDerWaalsContact O-N 3.09Å; I111-V115 HydrophobicContact CG2-CG2 4.38Å; I111-V115 WeakPolarHBondContact O-CG2 3.17Å; I111-V115 PolarHBondContact O-N 3.41Å
112T91.1Very high90.6Very high35 Ų3539.5 Ų39.522%0.21523%0.231CC..Hα-helixtrans-64.6-38.6-177.3-49.90000111.4A5 I108 S109 V115 A116A5-T112 HydrophobicContact CB-CG2 3.68Å; I108-T112 WeakPolarHBondContact O-CB 3.4Å; I108-T112 PolarHBondContact O-N 3.38Å; I108-T112 PolarHBondContact O-OG1 2.96Å; S109-T112 PolarHBondContact O-N 3.49Å; S109-T112 VanDerWaalsContact O-N 3.15Å; T112-V115 PolarHBondContact O-N 2.94Å; T112-A116 WeakPolarHBondContact O-CB 3.46Å; T112-A116 PolarHBondContact O-N 3.24Å
113F90.4Very high90.4Very high0 Ų039.7 Ų39.70%023%0.234CC..Hα-helixtrans-64.5-39.9170.9-81-60000112.8Y2 A5 L6 N9 T75 Q78 A86 S109 A110 I111 V115 A116 L117Y2-F113 HydrophobicContact CE2-CD1 4.37Å; Y2-F113 HydrophobicContact CE2-CE1 4.17Å; A5-F113 HydrophobicContact CB-CD1 3.67Å; A5-F113 HydrophobicContact CB-CE1 3.83Å; A5-F113 HydrophobicContact CB-CG 4.13Å; A5-F113 HydrophobicContact CB-CZ 4.44Å; L6-F113 HydrophobicContact CD2-CE1 4.04Å; L6-F113 HydrophobicContact CD2-CZ 4.14Å; N9-F113 HydrophobicContact CB-CE2 3.55Å; N9-F113 HydrophobicContact CB-CZ 3.64Å; T75-F113 HydrophobicContact CG2-CD1 4.48Å; Q78-F113 HydrophobicContact CB-CD1 4.26Å; Q78-F113 HydrophobicContact CB-CE1 4.18Å; Q78-F113 HydrophobicContact CB-CZ 4.36Å; Q78-F113 VanDerWaalsContact OE1-CE1 3.23Å; A86-F113 HydrophobicContact CB-CE2 4.21Å; S109-F113 WeakPolarHBondContact O-CD2 3.4Å; S109-F113 PolarHBondContact O-N 3.2Å; A110-F113 PolarHBondContact O-N 3.12Å; I111-F113 VanDerWaalsContact C-N 3.33Å; I111-F113 PolarHBondContact O-N 3.48Å; F113-V115 VanDerWaalsContact C-N 3.35Å; F113-V115 PolarHBondContact O-N 2.87Å; F113-A116 PolarHBondContact O-N 3.45Å; F113-L117 WeakPolarHBondContact O-CB 3.36Å; F113-L117 PolarHBondContact O-N 2.74Å
114T92.8Very high90.2Very high46 Ų4641.6 Ų41.628%0.28224%0.244SC..Hα-helixtrans-61.4-43.4175.9-53.60000111.4T79 W89 A110 I111 L117 T118T79-T114 VanDerWaalsContact CG2-OG1 3.28Å; T79-T114 WeakPolarHBondContact CG2-OG1 3.46Å; W89-T114 PolarHBondContact NE1-OG1 2.58Å; A110-T114 PolarHBondContact O-N 2.99Å; A110-T114 PolarHBondContact O-OG1 3.31Å; I111-T114 WeakPolarHBondContact O-CB 3.24Å; I111-T114 PolarHBondContact O-N 2.87Å; I111-T114 VanDerWaalsContact O-N 3.09Å; T114-L117 PolarHBondContact O-N 3.11Å; T114-T118 WeakPolarHBondContact O-CB 3.13Å; T114-T118 PolarHBondContact O-N 3.25Å; T114-T118 PolarHBondContact O-OG1 3.29Å
115V92.9Very high90Very high82 Ų8240 Ų4050%0.49724%0.238SC..Hα-helixtrans-64.6-42.2175.2173.50000110.8I111 T112 F113 T118 G119I111-V115 HydrophobicContact CG2-CG2 4.38Å; I111-V115 WeakPolarHBondContact O-CG2 3.17Å; I111-V115 PolarHBondContact O-N 3.41Å; T112-V115 PolarHBondContact O-N 2.94Å; F113-V115 VanDerWaalsContact C-N 3.35Å; F113-V115 PolarHBondContact O-N 2.87Å; V115-T118 PolarHBondContact O-N 3.17Å; V115-G119 PolarHBondContact O-N 3.43Å
116A89.9Confident89.7Confident5 Ų543.8 Ų43.84%0.04125%0.252CS..Hα-helixtrans-62.4-45.7176.800000112Y2 A5 T112 F113 T118 G119 M120Y2-A116 HydrophobicContact CD2-CB 4.03Å; A5-A116 HydrophobicContact CB-CB 4.42Å; T112-A116 WeakPolarHBondContact O-CB 3.46Å; T112-A116 PolarHBondContact O-N 3.24Å; F113-A116 PolarHBondContact O-N 3.45Å; A116-T118 PolarHBondContact O-N 3.43Å; A116-G119 PolarHBondContact O-N 2.86Å; A116-M120 WeakPolarHBondContact O-CG 3.1Å; A116-M120 PolarHBondContact O-N 3.47Å
117L91.1Very high89.2Confident27 Ų2744.5 Ų44.514%0.14126%0.256CS..Hα-helixtrans-58.8-47.3175.4179.163.3000111.2C72 T75 F76 F113 T114 G119 M120 V121C72-L117 HydrophobicContact CB-CD1 4.24Å; C72-L117 WeakPolarHBondContact O-CD1 3.4Å; T75-L117 HydrophobicContact CG2-CB 3.93Å; T75-L117 HydrophobicContact CG2-CD1 4.4Å; F76-L117 HydrophobicContact CB-CD1 4.27Å; F76-L117 HydrophobicContact CB-CD2 4.09Å; F76-L117 HydrophobicContact CD2-CD2 3.74Å; F76-L117 HydrophobicContact CG-CD2 4.42Å; F113-L117 WeakPolarHBondContact O-CB 3.36Å; F113-L117 PolarHBondContact O-N 2.74Å; T114-L117 PolarHBondContact O-N 3.11Å; L117-G119 VanDerWaalsContact C-N 3.29Å; L117-G119 PolarHBondContact O-N 3.4Å; L117-M120 PolarHBondContact O-N 3.21Å; L117-M120 VanDerWaalsContact O-N 3.12Å; L117-V121 HydrophobicContact CD1-CG2 4.33Å; L117-V121 WeakPolarHBondContact O-CG2 2.95Å; L117-V121 PolarHBondContact O-N 2.95Å
118T91.7Very high88.7Confident77 Ų7745.8 Ų45.847%0.47226%0.261SS..Hα-helixtrans-60.3-41.6177.7-55.40000111.1T114 V115 A116 M120 V121 T122T114-T118 WeakPolarHBondContact O-CB 3.13Å; T114-T118 PolarHBondContact O-N 3.25Å; T114-T118 PolarHBondContact O-OG1 3.29Å; V115-T118 PolarHBondContact O-N 3.17Å; A116-T118 PolarHBondContact O-N 3.43Å; T118-M120 VanDerWaalsContact C-N 3.34Å; T118-M120 PolarHBondContact O-N 3.3Å; T118-V121 PolarHBondContact O-N 2.86Å; T118-T122 HydrophobicContact CG2-CG2 4.39Å; T118-T122 WeakPolarHBondContact O-CB 3.43Å; T118-T122 VanDerWaalsContact O-CG2 3.26Å; T118-T122 WeakPolarHBondContact O-CG2 3.42Å; T118-T122 PolarHBondContact O-N 3.43Å; T118-T122 PolarHBondContact O-OG1 2.93Å
119G88.3Confident88.1Confident35 Ų3550.2 Ų50.236%0.36127%0.271SS..Hα-helixtrans-59.9-40.9173.900000113.2V115 A116 L117 T122 A123V115-G119 PolarHBondContact O-N 3.43Å; A116-G119 PolarHBondContact O-N 2.86Å; L117-G119 VanDerWaalsContact C-N 3.29Å; L117-G119 PolarHBondContact O-N 3.4Å; G119-T122 WeakPolarHBondContact CA-OG1 3.46Å; G119-T122 PolarHBondContact O-OG1 3.06Å; G119-A123 WeakPolarHBondContact O-CB 3.28Å; G119-A123 PolarHBondContact O-N 3.2Å; G119-A123 VanDerWaalsContact O-N 3.11Å
120M88.2Confident87.5Confident12 Ų1254.9 Ų54.96%0.05930%0.296CS..Hα-helixtrans-69.5-44.8177.5-66171.5-176.800112.2Y2 W45 L68 H71 C72 T75 A116 L117 T118 T122 A123 L124Y2-M120 HydrophobicContact CD1-CE 3.94Å; Y2-M120 HydrophobicContact CD2-CE 3.43Å; Y2-M120 VanDerWaalsContact CD2-CE 3.43Å; Y2-M120 HydrophobicContact CE1-CE 4.44Å; Y2-M120 HydrophobicContact CE2-CE 4.03Å; Y2-M120 HydrophobicContact CG-CE 3.38Å; W45-M120 HydrophobicContact CZ3-CB 4.42Å; W45-M120 HydrophobicContact CZ3-CG 4.12Å; L68-M120 HydrophobicContact CD1-CB 4.11Å; L68-M120 HydrophobicContact CD1-CG 4.3Å; H71-M120 WeakPolarHBondContact CD2-CE 3.39Å; H71-M120 VanDerWaalsContact CD2-SD 3.59Å; C72-M120 VanDerWaalsContact SG-CB 3.53Å; T75-M120 HydrophobicContact CG2-SD 4.35Å; T75-M120 PolarHBondContact OG1-SD 3.34Å; A116-M120 WeakPolarHBondContact O-CG 3.1Å; A116-M120 PolarHBondContact O-N 3.47Å; L117-M120 PolarHBondContact O-N 3.21Å; L117-M120 VanDerWaalsContact O-N 3.12Å; T118-M120 VanDerWaalsContact C-N 3.34Å; T118-M120 PolarHBondContact O-N 3.3Å; M120-T122 PolarHBondContact O-N 2.99Å; M120-A123 PolarHBondContact O-N 3.07Å; M120-L124 WeakPolarHBondContact O-CB 3.16Å; M120-L124 PolarHBondContact O-N 3.49Å
121V88.6Confident86.6Confident69 Ų6956.1 Ų56.142%0.41830%0.301SS..Hα-helixtrans-62.2-43.9177.5172.50000110.9L117 T118 A123 L124 V125L117-V121 HydrophobicContact CD1-CG2 4.33Å; L117-V121 WeakPolarHBondContact O-CG2 2.95Å; L117-V121 PolarHBondContact O-N 2.95Å; T118-V121 PolarHBondContact O-N 2.86Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.45Å; V121-L124 WeakPolarHBondContact O-CB 3.34Å; V121-L124 PolarHBondContact O-N 3.24Å; V121-V125 WeakPolarHBondContact O-CG2 3.36Å; V121-V125 PolarHBondContact O-N 2.76Å
122T87.4Confident85.6Confident67 Ų6761.1 Ų61.141%0.41132%0.315SS..Hα-helixtrans-64-38.3177.952.40000112.2T118 G119 M120 V125 K126T118-T122 HydrophobicContact CG2-CG2 4.39Å; T118-T122 WeakPolarHBondContact O-CB 3.43Å; T118-T122 VanDerWaalsContact O-CG2 3.26Å; T118-T122 WeakPolarHBondContact O-CG2 3.42Å; T118-T122 PolarHBondContact O-N 3.43Å; T118-T122 PolarHBondContact O-OG1 2.93Å; G119-T122 WeakPolarHBondContact CA-OG1 3.46Å; G119-T122 PolarHBondContact O-OG1 3.06Å; M120-T122 PolarHBondContact O-N 2.99Å; T122-V125 PolarHBondContact O-N 3.05Å; T122-K126 WeakPolarHBondContact O-CB 3.45Å; T122-K126 WeakPolarHBondContact O-CG 3.24Å; T122-K126 PolarHBondContact O-N 2.81Å
123A84.8Confident84.5Confident16 Ų1662.8 Ų62.813%0.13234%0.339CS..Hα-helixtrans-66-42.4173.400000112.3W45 G119 M120 V121 V125 K126 V127W45-A123 HydrophobicContact CH2-CB 3.07Å; W45-A123 HydrophobicContact CZ2-CB 3.54Å; W45-A123 HydrophobicContact CZ3-CB 3.94Å; G119-A123 WeakPolarHBondContact O-CB 3.28Å; G119-A123 PolarHBondContact O-N 3.2Å; G119-A123 VanDerWaalsContact O-N 3.11Å; M120-A123 PolarHBondContact O-N 3.07Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.45Å; A123-V125 VanDerWaalsContact C-N 3.35Å; A123-V125 PolarHBondContact O-N 2.9Å; A123-K126 PolarHBondContact O-N 3.43Å; A123-V127 WeakPolarHBondContact O-CB 3.4Å; A123-V127 VanDerWaalsContact O-CG2 3.28Å; A123-V127 WeakPolarHBondContact O-CG2 3.49Å; A123-V127 PolarHBondContact O-N 3.45Å
124L86.1Confident83.2Confident41 Ų4165.8 Ų65.822%0.21536%0.364CS..Hα-helixtrans-56.7-49.9175.1-165.4158.2000110.4F65 L68 M120 V121 H128F65-L124 HydrophobicContact CD1-CG 4.37Å; L68-L124 HydrophobicContact CD2-CB 3.7Å; L68-L124 HydrophobicContact CD2-CD1 4.35Å; L68-L124 HydrophobicContact CD2-CG 4.19Å; L68-L124 HydrophobicContact CG-CB 4.45Å; L68-L124 HydrophobicContact CG-CD1 4.31Å; M120-L124 WeakPolarHBondContact O-CB 3.16Å; M120-L124 PolarHBondContact O-N 3.49Å; V121-L124 WeakPolarHBondContact O-CB 3.34Å; V121-L124 PolarHBondContact O-N 3.24Å; L124-H128 WeakPolarHBondContact O-CB 3.41Å; L124-H128 PolarHBondContact O-N 3.41Å
125V85.7Confident81.8Confident59 Ų5966.5 Ų66.536%0.35838%0.381SS..Hα-helixtrans-63.7-43.9179.3174.20000111.9V121 T122 A123 H128 R129V121-V125 WeakPolarHBondContact O-CG2 3.36Å; V121-V125 PolarHBondContact O-N 2.76Å; T122-V125 PolarHBondContact O-N 3.05Å; A123-V125 VanDerWaalsContact C-N 3.35Å; A123-V125 PolarHBondContact O-N 2.9Å; V125-H128 PolarHBondContact O-N 2.89Å; V125-R129 HydrophobicContact CG1-CG 4.45Å; V125-R129 WeakPolarHBondContact O-CB 3.35Å; V125-R129 VanDerWaalsContact O-CG 3.29Å; V125-R129 WeakPolarHBondContact O-CG 3.49Å; V125-R129 PolarHBondContact O-N 3.15Å
126K83.8Confident80.3Confident145 Ų14563.8 Ų63.863%0.6336%0.362SS*.Hα-helixtrans-63.3-49.4179.5-79.1-179178.1-179.70111.8T122 A123 H128 R129 L130T122-K126 WeakPolarHBondContact O-CB 3.45Å; T122-K126 WeakPolarHBondContact O-CG 3.24Å; T122-K126 PolarHBondContact O-N 2.81Å; A123-K126 PolarHBondContact O-N 3.43Å; K126-H128 VanDerWaalsContact C-N 3.31Å; K126-H128 PolarHBondContact O-N 3.09Å; K126-R129 PolarHBondContact O-N 3.41Å; K126-L130 WeakPolarHBondContact O-CG 3.44Å; K126-L130 PolarHBondContact O-N 3.46Å
127V80.7Confident79.2Confident14 Ų1465.6 Ų65.69%0.08537%0.374CS..Hα-helixtrans-67-36.9179.7-178.50000110.3F61 F64 F65 A123 L130 Y131F61-V127 HydrophobicContact CD1-CG1 3.63Å; F61-V127 HydrophobicContact CE1-CG1 3.6Å; F64-V127 HydrophobicContact CD1-CB 4.45Å; F64-V127 HydrophobicContact CD1-CG1 3.91Å; F64-V127 HydrophobicContact CE1-CB 3.72Å; F64-V127 HydrophobicContact CE1-CG1 3.66Å; F64-V127 HydrophobicContact CE1-CG2 3.81Å; F64-V127 HydrophobicContact CZ-CB 4.45Å; F64-V127 HydrophobicContact CZ-CG2 4.05Å; F65-V127 HydrophobicContact CE1-CB 3.89Å; F65-V127 HydrophobicContact CE1-CG1 3.77Å; F65-V127 HydrophobicContact CZ-CB 4.17Å; F65-V127 HydrophobicContact CZ-CG1 3.65Å; A123-V127 WeakPolarHBondContact O-CB 3.4Å; A123-V127 VanDerWaalsContact O-CG2 3.28Å; A123-V127 WeakPolarHBondContact O-CG2 3.49Å; A123-V127 PolarHBondContact O-N 3.45Å; V127-L130 PolarHBondContact O-N 2.97Å; V127-Y131 VanDerWaalsContact O-CB 3.32Å; V127-Y131 WeakPolarHBondContact O-CB 3.47Å; V127-Y131 PolarHBondContact O-N 3.44Å
128H82.3Confident78Confident66 Ų6668.3 Ų68.331%0.30639%0.388SS..Hα-helixtrans-65.8-39.1175.9-176.5-99.4000112.5F65 L124 V125 K126 Y131 R132F65-H128 HydrophobicContact CE1-CB 3.73Å; F65-H128 VanDerWaalsContact CZ-CA 3.4Å; F65-H128 HydrophobicContact CZ-CB 3.94Å; L124-H128 WeakPolarHBondContact O-CB 3.41Å; L124-H128 PolarHBondContact O-N 3.41Å; V125-H128 PolarHBondContact O-N 2.89Å; K126-H128 VanDerWaalsContact C-N 3.31Å; K126-H128 PolarHBondContact O-N 3.09Å; H128-Y131 PolarHBondContact O-N 2.94Å; H128-R132 VanDerWaalsContact O-CB 3.31Å; H128-R132 WeakPolarHBondContact O-CB 3.47Å; H128-R132 PolarHBondContact O-N 2.97Å
129R79.4Confident76.9Confident181 Ų18169.6 Ų69.668%0.68339%0.392SS*.Hα-helixtrans-63.5-43172.8-76.2176.7-180-174.50.4111.8V125 K126 R132 G133V125-R129 HydrophobicContact CG1-CG 4.45Å; V125-R129 WeakPolarHBondContact O-CB 3.35Å; V125-R129 VanDerWaalsContact O-CG 3.29Å; V125-R129 WeakPolarHBondContact O-CG 3.49Å; V125-R129 PolarHBondContact O-N 3.15Å; K126-R129 PolarHBondContact O-N 3.41Å; R129-R132 PolarHBondContact O-N 2.69Å; R129-G133 PolarHBondContact O-N 2.79Å
130L78.6Confident76Confident99 Ų9971.9 Ų71.952%0.51839%0.392SS..Hα-helixtrans-62.7-48.1175.2-73.2167.7000111.6F53 K126 V127 R132 G133 A134F53-L130 HydrophobicContact CE1-CD1 4.26Å; F53-L130 HydrophobicContact CZ-CD1 4.14Å; K126-L130 WeakPolarHBondContact O-CG 3.44Å; K126-L130 PolarHBondContact O-N 3.46Å; V127-L130 PolarHBondContact O-N 2.97Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-R132 PolarHBondContact O-N 2.76Å; L130-G133 PolarHBondContact O-N 3.01Å; L130-A134 VanDerWaalsContact O-CB 3.24Å; L130-A134 WeakPolarHBondContact O-CB 3.35Å; L130-A134 PolarHBondContact O-N 2.94Å
131Y71.4Confident74.9Confident26 Ų2671.4 Ų71.410%0.10239%0.391CS..Hα-helixtrans-55.4-47.5176.3177.2-94.7000111.7F61 F65 V127 H128 F136 S137 I138F61-Y131 HydrophobicContact CB-CD2 3.71Å; F61-Y131 HydrophobicContact CB-CE2 3.98Å; F61-Y131 HydrophobicContact CD2-CD2 4.26Å; F61-Y131 AromaticContact CG-CD2 4Å; F61-Y131 HydrophobicContact CG-CD2 4Å; F65-Y131 HydrophobicContact CE2-CD1 4.23Å; F65-Y131 HydrophobicContact CE2-CD2 4.07Å; F65-Y131 AromaticContact CE2-CG 3.83Å; F65-Y131 HydrophobicContact CE2-CG 3.83Å; F65-Y131 HydrophobicContact CZ-CG 4.3Å; V127-Y131 VanDerWaalsContact O-CB 3.32Å; V127-Y131 WeakPolarHBondContact O-CB 3.47Å; V127-Y131 PolarHBondContact O-N 3.44Å; H128-Y131 PolarHBondContact O-N 2.94Å; Y131-F136 HydrophobicContact CD2-CB 3.48Å; Y131-F136 VanDerWaalsContact CD2-CB 3.48Å; Y131-F136 HydrophobicContact CD2-CG 4.32Å; Y131-F136 VanDerWaalsContact CE1-O 3.26Å; Y131-F136 WeakPolarHBondContact CE1-O 3.37Å; Y131-F136 HydrophobicContact CE2-CB 3.41Å; Y131-F136 VanDerWaalsContact CE2-CB 3.41Å; Y131-F136 HydrophobicContact CE2-CG 4.41Å; Y131-F136 HydrophobicContact CG-CB 4.11Å; Y131-F136 VanDerWaalsContact CZ-O 3.3Å; Y131-F136 PolarHBondContact O-N 2.95Å; Y131-S137 WeakPolarHBondContact OH-CA 3.27Å; Y131-S137 PolarHBondContact OH-O 3.12Å; Y131-I138 PolarHBondContact OH-N 3.19Å
132R71.7Confident73.7Confident181 Ų18176 Ų7668%0.68340%0.4SS*.Hα-helixtrans-74.9-28.7-177.9-159.2150.866.3159.94.4113.6H128 R129 L130H128-R132 VanDerWaalsContact O-CB 3.31Å; H128-R132 WeakPolarHBondContact O-CB 3.47Å; H128-R132 PolarHBondContact O-N 2.97Å; R129-R132 PolarHBondContact O-N 2.69Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-R132 PolarHBondContact O-N 2.76Å
133G68Low73Confident71 Ų7179 Ų7973%0.73241%0.41SS*.Hα-helixtrans-78.9-26.2175.200000114R129 L130 G135R129-G133 PolarHBondContact O-N 2.79Å; L130-G133 PolarHBondContact O-N 3.01Å; G133-G135 VanDerWaalsContact C-N 3.35Å
134A63.7Low72.4Confident63 Ų6380.8 Ų80.852%0.52142%0.415SS..THydrogen-bonded Turntrans-89.88.2-178.500000114.2L130 F136L130-A134 VanDerWaalsContact O-CB 3.24Å; L130-A134 WeakPolarHBondContact O-CB 3.35Å; L130-A134 PolarHBondContact O-N 2.94Å; A134-F136 HydrophobicContact CB-CD2 3.64Å; A134-F136 HydrophobicContact CB-CE2 4.04Å; A134-F136 PolarHBondContact O-N 3.06Å
135G62.7Low71.7Confident61 Ų6184.2 Ų84.263%0.62943%0.429SS*.THydrogen-bonded Turntrans68.516178.500000114.3G133 S137G133-G135 VanDerWaalsContact C-N 3.35Å; G135-S137 PolarHBondContact O-N 2.96Å
136F61.9Low71Confident24 Ų2484.7 Ų84.711%0.10543%0.432CS..  trans-71.5127.3173.7-80.5-71.6000109.9D56 S58 Y131 A134 K140D56-F136 HydrophobicContact CB-CZ 3.97Å; D56-F136 WeakPolarHBondContact O-CE1 3.43Å; D56-F136 VanDerWaalsContact O-CZ 3.27Å; D56-F136 WeakPolarHBondContact O-CZ 3.45Å; S58-F136 WeakPolarHBondContact OG-CD1 3.45Å; S58-F136 VanDerWaalsContact OG-CE1 3.3Å; S58-F136 WeakPolarHBondContact OG-CE1 3.17Å; Y131-F136 HydrophobicContact CD2-CB 3.48Å; Y131-F136 VanDerWaalsContact CD2-CB 3.48Å; Y131-F136 HydrophobicContact CD2-CG 4.32Å; Y131-F136 VanDerWaalsContact CE1-O 3.26Å; Y131-F136 WeakPolarHBondContact CE1-O 3.37Å; Y131-F136 HydrophobicContact CE2-CB 3.41Å; Y131-F136 VanDerWaalsContact CE2-CB 3.41Å; Y131-F136 HydrophobicContact CE2-CG 4.41Å; Y131-F136 HydrophobicContact CG-CB 4.11Å; Y131-F136 VanDerWaalsContact CZ-O 3.3Å; Y131-F136 PolarHBondContact O-N 2.95Å; A134-F136 HydrophobicContact CB-CD2 3.64Å; A134-F136 HydrophobicContact CB-CE2 4.04Å; A134-F136 PolarHBondContact O-N 3.06Å; F136-K140 HydrophobicContact CD1-CD 3.96Å; F136-K140 HydrophobicContact CE1-CD 4.23Å; F136-K140 VanDerWaalsContact CE1-NZ 3.26Å
137S66.3Low70.2Confident43 Ų4382.6 Ų82.630%0.30143%0.427SS..  trans-126.1160.5-176.973.70000111.9Y131 G135 D139 K140 A141Y131-S137 WeakPolarHBondContact OH-CA 3.27Å; Y131-S137 PolarHBondContact OH-O 3.12Å; G135-S137 PolarHBondContact O-N 2.96Å; S137-D139 PolarHBondContact O-N 3.32Å; S137-D139 PolarHBondContact OG-N 3.28Å; S137-K140 PolarHBondContact O-N 3.32Å; S137-K140 PolarHBondContact OG-N 2.98Å; S137-A141 PolarHBondContact O-N 3.05Å
138I66.3Low69.4Low84 Ų8483.6 Ų83.643%0.43144%0.441SS..Hα-helixtrans-61.6-32.6172.7-65.4-179.4000110.3M62 Y131 A141 R142M62-I138 HydrophobicContact CE-CD1 4.03Å; M62-I138 HydrophobicContact CE-CG1 4.26Å; M62-I138 HydrophobicContact CE-CG2 4.35Å; M62-I138 HydrophobicContact SD-CG1 4.5Å; Y131-I138 PolarHBondContact OH-N 3.19Å; I138-A141 WeakPolarHBondContact O-CB 3.26Å; I138-A141 PolarHBondContact O-N 3.06Å; I138-R142 WeakPolarHBondContact O-CG 3.4Å; I138-R142 PolarHBondContact O-N 3.39Å
139D68.7Low68.4Low105 Ų10583.8 Ų83.856%0.56145%0.447SS*.Hα-helixtrans-67.4-38.7176.5-61.4-48000112.2S137 R142 Q143S137-D139 PolarHBondContact O-N 3.32Å; S137-D139 PolarHBondContact OG-N 3.28Å; D139-R142 WeakPolarHBondContact O-CB 3.41Å; D139-R142 PolarHBondContact O-N 2.81Å; D139-R142 IonicContact OD1-NH1 3.99Å; D139-Q143 PolarHBondContact O-N 2.74Å
140K69.6Low67.6Low82 Ų8281.2 Ų81.236%0.35744%0.444SS..Hα-helixtrans-66.4-38.4171.9-167.8-179.5173.3-172.50111.5S58 F136 S137 R142 Q143 E144S58-K140 WeakPolarHBondContact OG-CD 3.34Å; S58-K140 WeakPolarHBondContact OG-CG 3.42Å; F136-K140 HydrophobicContact CD1-CD 3.96Å; F136-K140 HydrophobicContact CE1-CD 4.23Å; F136-K140 VanDerWaalsContact CE1-NZ 3.26Å; S137-K140 PolarHBondContact O-N 3.32Å; S137-K140 PolarHBondContact OG-N 2.98Å; K140-R142 VanDerWaalsContact C-N 3.34Å; K140-R142 PolarHBondContact O-N 3.26Å; K140-Q143 PolarHBondContact O-N 3Å; K140-E144 PolarHBondContact O-N 3.48Å
141A66.1Low66.7Low3 Ų380 Ų803%0.02544%0.443CS..Hα-helixtrans-63.8-36.617300000112.8S137 I138 F145S137-A141 PolarHBondContact O-N 3.05Å; I138-A141 WeakPolarHBondContact O-CB 3.26Å; I138-A141 PolarHBondContact O-N 3.06Å; A141-F145 WeakPolarHBondContact O-CB 3.47Å; A141-F145 PolarHBondContact O-N 3.42Å
142R63.7Low66.4Low165 Ų16583.5 Ų83.562%0.62346%0.464SS*.Hα-helixtrans-64.6-45.9172.6-75.4173.6172.5179.7-4.7111.4I138 D139 K140 E144 F145 T146I138-R142 WeakPolarHBondContact O-CG 3.4Å; I138-R142 PolarHBondContact O-N 3.39Å; D139-R142 WeakPolarHBondContact O-CB 3.41Å; D139-R142 PolarHBondContact O-N 2.81Å; D139-R142 IonicContact OD1-NH1 3.99Å; K140-R142 VanDerWaalsContact C-N 3.34Å; K140-R142 PolarHBondContact O-N 3.26Å; R142-E144 PolarHBondContact O-N 3.03Å; R142-F145 PolarHBondContact O-N 2.85Å; R142-T146 WeakPolarHBondContact O-CB 3.42Å; R142-T146 PolarHBondContact O-N 3.41Å; R142-T146 PolarHBondContact O-OG1 3.3Å; R142-T146 VanDerWaalsContact O-OG1 3.08Å
143Q71.6Confident65.7Low131 Ų13177 Ų7761%0.61245%0.449SS*.Hα-helixtrans-61.2-43.3175.9-81.4179.5-16.300112.4D139 K140 F145 T146 N147D139-Q143 PolarHBondContact O-N 2.74Å; K140-Q143 PolarHBondContact O-N 3Å; Q143-F145 PolarHBondContact O-N 3.14Å; Q143-T146 PolarHBondContact O-N 3.16Å; Q143-N147 WeakPolarHBondContact O-CB 3.12Å; Q143-N147 PolarHBondContact O-N 3.05Å; Q143-N147 PolarHBondContact O-ND2 3.26Å
144E71.9Confident65.7Low53 Ų5375.7 Ų75.725%0.24844%0.436CS..Hα-helixtrans-62.9-39.7175.4-79177.8-146.700112.6S57 S58 F59 K140 R142 G148S57-E144 WeakPolarHBondContact CA-OE2 3.46Å; S57-E144 WeakPolarHBondContact CB-OE2 3.22Å; S57-E144 PolarHBondContact OG-OE2 3.34Å; S58-E144 WeakPolarHBondContact CB-OE1 3.44Å; S58-E144 PolarHBondContact N-OE1 2.87Å; S58-E144 VanDerWaalsContact N-OE1 3.14Å; S58-E144 PolarHBondContact N-OE2 2.96Å; S58-E144 PolarHBondContact OG-OE1 3.39Å; F59-E144 PolarHBondContact N-OE2 3.27Å; K140-E144 PolarHBondContact O-N 3.48Å; R142-E144 PolarHBondContact O-N 3.03Å; E144-G148 PolarHBondContact O-N 3.3Å
145F72.4Confident65.8Low113 Ų11375.5 Ų75.550%0.49643%0.428SS..Hα-helixtrans-68-46.9177.3-176-98.1000111.8F59 A141 R142 Q143 G148 V149F59-F145 HydrophobicContact CD2-CB 4.27Å; F59-F145 HydrophobicContact CD2-CD2 4.07Å; F59-F145 HydrophobicContact CE1-CD2 4.47Å; F59-F145 AromaticContact CE2-CD2 3.61Å; F59-F145 HydrophobicContact CE2-CD2 3.61Å; F59-F145 HydrophobicContact CE2-CE2 4.18Å; F59-F145 HydrophobicContact CE2-CG 4.34Å; F59-F145 AromaticContact CZ-CD2 3.84Å; F59-F145 HydrophobicContact CZ-CD2 3.84Å; F59-F145 HydrophobicContact CZ-CE2 4.11Å; A141-F145 WeakPolarHBondContact O-CB 3.47Å; A141-F145 PolarHBondContact O-N 3.42Å; R142-F145 PolarHBondContact O-N 2.85Å; Q143-F145 PolarHBondContact O-N 3.14Å; F145-G148 PolarHBondContact O-N 3.21Å; F145-V149 HydrophobicContact CD1-CG2 4.36Å; F145-V149 HydrophobicContact CE1-CG2 4.01Å; F145-V149 HydrophobicContact CE2-CG2 4.42Å; F145-V149 HydrophobicContact CZ-CG2 4.04Å; F145-V149 WeakPolarHBondContact O-CG2 3.49Å; F145-V149 PolarHBondContact O-N 3.17Å
146T70Confident66.1Low69 Ų6977.2 Ų77.242%0.42342%0.419SS..Hα-helixtrans-63.2-45177.8-59.30000111.5R142 Q143 G148 V149 M150R142-T146 WeakPolarHBondContact O-CB 3.42Å; R142-T146 PolarHBondContact O-N 3.41Å; R142-T146 PolarHBondContact O-OG1 3.3Å; R142-T146 VanDerWaalsContact O-OG1 3.08Å; Q143-T146 PolarHBondContact O-N 3.16Å; T146-G148 VanDerWaalsContact C-N 3.33Å; T146-G148 PolarHBondContact O-N 3.28Å; T146-V149 PolarHBondContact O-N 3.5Å; T146-M150 HydrophobicContact CG2-CE 4.24Å; T146-M150 HydrophobicContact CG2-SD 4.35Å; T146-M150 WeakPolarHBondContact O-CB 3.37Å; T146-M150 WeakPolarHBondContact O-CG 3.32Å; T146-M150 PolarHBondContact O-N 2.66Å
147N67.1Low66.4Low100 Ų10084.6 Ų84.654%0.53545%0.447SS..Hα-helixtrans-65.9-37.4176.9-70.5-15.8000111.5Q143 M150 S151Q143-N147 WeakPolarHBondContact O-CB 3.12Å; Q143-N147 PolarHBondContact O-N 3.05Å; Q143-N147 PolarHBondContact O-ND2 3.26Å; N147-M150 PolarHBondContact O-N 3Å; N147-S151 WeakPolarHBondContact O-CB 3.46Å; N147-S151 PolarHBondContact O-N 3.4Å; N147-S151 PolarHBondContact O-OG 3.42Å
148G64.2Low66.7Low36 Ų3685.5 Ų85.537%0.37146%0.457SS..Hα-helixtrans-63.9-43175.400000113.2E144 F145 T146 S151 D152E144-G148 PolarHBondContact O-N 3.3Å; F145-G148 PolarHBondContact O-N 3.21Å; T146-G148 VanDerWaalsContact C-N 3.33Å; T146-G148 PolarHBondContact O-N 3.28Å; G148-S151 WeakPolarHBondContact CA-OG 3.48Å; G148-S151 PolarHBondContact O-N 3.07Å; G148-S151 PolarHBondContact O-OG 3.34Å; G148-D152 PolarHBondContact O-N 3.27Å
149V62.3Low66.9Low70 Ų7085.3 Ų85.342%0.42446%0.459SS..Hα-helixtrans-67.4-38.5175.51730000111.3F145 T146 S151 D152 V155F145-V149 HydrophobicContact CD1-CG2 4.36Å; F145-V149 HydrophobicContact CE1-CG2 4.01Å; F145-V149 HydrophobicContact CE2-CG2 4.42Å; F145-V149 HydrophobicContact CZ-CG2 4.04Å; F145-V149 WeakPolarHBondContact O-CG2 3.49Å; F145-V149 PolarHBondContact O-N 3.17Å; T146-V149 PolarHBondContact O-N 3.5Å; V149-S151 VanDerWaalsContact C-N 3.33Å; V149-S151 PolarHBondContact O-N 3.37Å; V149-D152 WeakPolarHBondContact O-CB 3.13Å; V149-D152 PolarHBondContact O-N 3.32Å; V149-V155 WeakPolarHBondContact O-CG2 3.43Å
150M61.4Low67.1Low127 Ų12786.3 Ų86.363%0.62646%0.461SS*.Hα-helixtrans-70.1-27.5176.4-75.6-176.2171.200113.6T146 N147T146-M150 HydrophobicContact CG2-CE 4.24Å; T146-M150 HydrophobicContact CG2-SD 4.35Å; T146-M150 WeakPolarHBondContact O-CB 3.37Å; T146-M150 WeakPolarHBondContact O-CG 3.32Å; T146-M150 PolarHBondContact O-N 2.66Å; N147-M150 PolarHBondContact O-N 3Å
151S60.6Low67.4Low72 Ų7285.1 Ų85.150%0.50347%0.466SS..THydrogen-bonded Turntrans-90.80177.4470000113.7N147 G148 V149 A153 Q156N147-S151 WeakPolarHBondContact O-CB 3.46Å; N147-S151 PolarHBondContact O-N 3.4Å; N147-S151 PolarHBondContact O-OG 3.42Å; G148-S151 WeakPolarHBondContact CA-OG 3.48Å; G148-S151 PolarHBondContact O-N 3.07Å; G148-S151 PolarHBondContact O-OG 3.34Å; V149-S151 VanDerWaalsContact C-N 3.33Å; V149-S151 PolarHBondContact O-N 3.37Å; S151-A153 PolarHBondContact O-N 3.48Å; S151-Q156 PolarHBondContact O-NE2 3.31Å
152D63.4Low68Low100 Ų10087.7 Ų87.754%0.53549%0.488SS..SBendtrans-66.5131.5176.5-148.1-39.2000110.5G148 V149 G154 V155 Q156G148-D152 PolarHBondContact O-N 3.27Å; V149-D152 WeakPolarHBondContact O-CB 3.13Å; V149-D152 PolarHBondContact O-N 3.32Å; D152-G154 PolarHBondContact O-N 2.73Å; D152-V155 PolarHBondContact O-N 3.27Å; D152-Q156 PolarHBondContact O-N 3.47Å
153A58.9Low68.6Low46 Ų4684 Ų8438%0.3848%0.484SS..Hα-helixtrans-59.4-23.6-173.900000112.5S151 R157S151-A153 PolarHBondContact O-N 3.48Å; A153-R157 VanDerWaalsContact O-CB 3.24Å; A153-R157 WeakPolarHBondContact O-CB 3.28Å; A153-R157 WeakPolarHBondContact O-CG 3.33Å; A153-R157 PolarHBondContact O-N 2.96Å
154G66.3Low68.7Low43 Ų4384.9 Ų84.944%0.44349%0.487SS..Hα-helixtrans-69.5-42.7172.800000113.2D152 R157 A158D152-G154 PolarHBondContact O-N 2.73Å; G154-R157 PolarHBondContact O-N 2.97Å; G154-A158 VanDerWaalsContact O-CB 3.27Å; G154-A158 WeakPolarHBondContact O-CB 3.19Å; G154-A158 PolarHBondContact O-N 3.49Å
155V67.6Low68.9Low59 Ų5985.6 Ų85.636%0.35850%0.502SS..Hα-helixtrans-68.9-43174.6177.40000109.4V149 D152 R157 A158 T159V149-V155 WeakPolarHBondContact O-CG2 3.43Å; D152-V155 PolarHBondContact O-N 3.27Å; V155-R157 PolarHBondContact O-N 3.46Å; V155-A158 PolarHBondContact O-N 2.97Å; V155-T159 WeakPolarHBondContact O-CB 3.43Å; V155-T159 PolarHBondContact O-N 2.89Å; V155-T159 PolarHBondContact O-OG1 3.18Å
156Q68.8Low69Low96 Ų9683 Ų8345%0.44950%0.502SS..Hα-helixtrans-62.1-39.6175.1-67.6-178.3-2.300112.9S151 D152 Q160S151-Q156 PolarHBondContact O-NE2 3.31Å; D152-Q156 PolarHBondContact O-N 3.47Å; Q156-Q160 VanDerWaalsContact O-CB 3.26Å; Q156-Q160 WeakPolarHBondContact O-CB 3.49Å; Q156-Q160 VanDerWaalsContact O-CG 3.31Å; Q156-Q160 WeakPolarHBondContact O-CG 3.3Å; Q156-Q160 PolarHBondContact O-N 3.23Å
157R67.3Low69.1Low180 Ų18082.5 Ų82.568%0.67951%0.505SS*.Hα-helixtrans-68.4-40.1173.8-79.8177.6-164.9152.14.2112.4A153 G154 V155 Q160 A161A153-R157 VanDerWaalsContact O-CB 3.24Å; A153-R157 WeakPolarHBondContact O-CB 3.28Å; A153-R157 WeakPolarHBondContact O-CG 3.33Å; A153-R157 PolarHBondContact O-N 2.96Å; G154-R157 PolarHBondContact O-N 2.97Å; V155-R157 PolarHBondContact O-N 3.46Å; R157-Q160 PolarHBondContact O-N 3.48Å; R157-A161 WeakPolarHBondContact O-CB 3.21Å; R157-A161 PolarHBondContact O-N 2.87Å
158A71.8Confident69.2Low62 Ų6279.5 Ų79.551%0.51250%0.497SS..Hα-helixtrans-66.3-41.6176.300000111.2G154 V155 A161 A162G154-A158 VanDerWaalsContact O-CB 3.27Å; G154-A158 WeakPolarHBondContact O-CB 3.19Å; G154-A158 PolarHBondContact O-N 3.49Å; V155-A158 PolarHBondContact O-N 2.97Å; A158-A161 PolarHBondContact O-N 3.49Å; A158-A162 VanDerWaalsContact O-CB 3.23Å; A158-A162 WeakPolarHBondContact O-CB 3.38Å; A158-A162 PolarHBondContact O-N 3.37Å
159T71.9Confident69.4Low79 Ų7980.4 Ų80.449%0.48550%0.501SS..Hα-helixtrans-66-43.5172.9-56.20000111V155 A161 A162 T163V155-T159 WeakPolarHBondContact O-CB 3.43Å; V155-T159 PolarHBondContact O-N 2.89Å; V155-T159 PolarHBondContact O-OG1 3.18Å; T159-A161 PolarHBondContact O-N 3.46Å; T159-A162 PolarHBondContact O-N 2.86Å; T159-T163 VanDerWaalsContact O-CB 3.3Å; T159-T163 WeakPolarHBondContact O-CB 3.41Å; T159-T163 PolarHBondContact O-N 2.97Å; T159-T163 PolarHBondContact O-OG1 3.34Å
160Q72.6Confident69.5Low126 Ų12679.7 Ų79.759%0.58950%0.503SS*.Hα-helixtrans-63-41.6175-82.6-179-2.600112.3Q156 R157 T163 Q164Q156-Q160 VanDerWaalsContact O-CB 3.26Å; Q156-Q160 WeakPolarHBondContact O-CB 3.49Å; Q156-Q160 VanDerWaalsContact O-CG 3.31Å; Q156-Q160 WeakPolarHBondContact O-CG 3.3Å; Q156-Q160 PolarHBondContact O-N 3.23Å; R157-Q160 PolarHBondContact O-N 3.48Å; Q160-T163 PolarHBondContact O-N 3.14Å; Q160-Q164 WeakPolarHBondContact O-CB 3.23Å; Q160-Q164 WeakPolarHBondContact O-CG 3.35Å; Q160-Q164 PolarHBondContact O-N 3.37Å
161A76.8Confident69.8Low57 Ų5780.6 Ų80.647%0.47150%0.504SS..Hα-helixtrans-65.5-42.1176.100000111.7R157 A158 T159 Q164 A165R157-A161 WeakPolarHBondContact O-CB 3.21Å; R157-A161 PolarHBondContact O-N 2.87Å; A158-A161 PolarHBondContact O-N 3.49Å; T159-A161 PolarHBondContact O-N 3.46Å; A161-Q164 PolarHBondContact O-N 2.93Å; A161-A165 WeakPolarHBondContact O-CB 3.42Å; A161-A165 PolarHBondContact O-N 3.49Å
162A76.8Confident69.8Low58 Ų5882.4 Ų82.448%0.47951%0.508SS..Hα-helixtrans-65.9-41.6175.400000112A158 T159 A165 A166A158-A162 VanDerWaalsContact O-CB 3.23Å; A158-A162 WeakPolarHBondContact O-CB 3.38Å; A158-A162 PolarHBondContact O-N 3.37Å; T159-A162 PolarHBondContact O-N 2.86Å; A162-A165 PolarHBondContact O-N 3.41Å; A162-A166 VanDerWaalsContact O-CB 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.48Å; A162-A166 PolarHBondContact O-N 2.83Å
163T77.1Confident69.6Low88 Ų8884.6 Ų84.654%0.5452%0.515SS..Hα-helixtrans-66-39.6176-57.80000111.4T159 Q160 A167T159-T163 VanDerWaalsContact O-CB 3.3Å; T159-T163 WeakPolarHBondContact O-CB 3.41Å; T159-T163 PolarHBondContact O-N 2.97Å; T159-T163 PolarHBondContact O-OG1 3.34Å; Q160-T163 PolarHBondContact O-N 3.14Å; T163-A167 VanDerWaalsContact O-CB 3.25Å; T163-A167 WeakPolarHBondContact O-CB 3.22Å; T163-A167 PolarHBondContact O-N 3.21Å
164Q74.8Confident69.6Low148 Ų14885.4 Ų85.469%0.69252%0.522SS*.Hα-helixtrans-65.8-41.4173.2-81.4-177.47.500112.3Q160 A161 A167 G168Q160-Q164 WeakPolarHBondContact O-CB 3.23Å; Q160-Q164 WeakPolarHBondContact O-CG 3.35Å; Q160-Q164 PolarHBondContact O-N 3.37Å; A161-Q164 PolarHBondContact O-N 2.93Å; Q164-A167 PolarHBondContact O-N 3.08Å; Q164-G168 PolarHBondContact O-N 3.25Å
165A75.8Confident69.1Low68 Ų6886.6 Ų86.656%0.56252%0.52SS*.Hα-helixtrans-64.8-41.6176.300000112A161 A162 G168 A169A161-A165 WeakPolarHBondContact O-CB 3.42Å; A161-A165 PolarHBondContact O-N 3.49Å; A162-A165 PolarHBondContact O-N 3.41Å; A165-G168 PolarHBondContact O-N 3.27Å; A165-A169 PolarHBondContact O-N 2.95Å
166A73.4Confident68.5Low60 Ų6091.4 Ų91.450%0.49654%0.539SS..Hα-helixtrans-68-39.6176.100000112.3A162 G168 A169 A170A162-A166 VanDerWaalsContact O-CB 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.48Å; A162-A166 PolarHBondContact O-N 2.83Å; A166-G168 VanDerWaalsContact C-N 3.34Å; A166-A169 PolarHBondContact O-N 3.31Å; A166-A170 WeakPolarHBondContact O-CB 3.35Å; A166-A170 PolarHBondContact O-N 3.44Å
167A72.9Confident67.7Low58 Ų5890 Ų9048%0.47955%0.55SS.*Hα-helixtrans-64.2-38.6174.100000111.9T163 Q164 F171T163-A167 VanDerWaalsContact O-CB 3.25Å; T163-A167 WeakPolarHBondContact O-CB 3.22Å; T163-A167 PolarHBondContact O-N 3.21Å; Q164-A167 PolarHBondContact O-N 3.08Å; A167-F171 VanDerWaalsContact O-CB 3.26Å; A167-F171 WeakPolarHBondContact O-CB 3.46Å; A167-F171 PolarHBondContact O-N 3.25Å
168G69.2Low66.7Low36 Ų3691.9 Ų91.937%0.37156%0.557SS.*Hα-helixtrans-65.5-39.4173.200000113.3Q164 A165 A166 N172Q164-G168 PolarHBondContact O-N 3.25Å; A165-G168 PolarHBondContact O-N 3.27Å; A166-G168 VanDerWaalsContact C-N 3.34Å; G168-N172 PolarHBondContact O-N 3.36Å
169A68.4Low65.5Low55 Ų55101 Ų10146%0.45559%0.586SS.*Hα-helixtrans-67.8-42.1175.200000112.4A165 A166 N172 Q173A165-A169 PolarHBondContact O-N 2.95Å; A166-A169 PolarHBondContact O-N 3.31Å; A169-N172 PolarHBondContact O-N 2.97Å; A169-Q173 PolarHBondContact O-N 2.93Å
170A63.6Low65.2Low55 Ų55102.1 Ų102.146%0.45559%0.591SS.*Hα-helixtrans-67.7-36.8175.900000112.3A166 Q173 A174A166-A170 WeakPolarHBondContact O-CB 3.35Å; A166-A170 PolarHBondContact O-N 3.44Å; A170-Q173 PolarHBondContact O-N 3.06Å; A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 2.98Å
171F67.6Low64.8Low147 Ų147100.8 Ų100.865%0.64559%0.591SS**Hα-helixtrans-64.3-44.9173.4-173.4-96.8000111.2A167 Q173 A174 T175A167-F171 VanDerWaalsContact O-CB 3.26Å; A167-F171 WeakPolarHBondContact O-CB 3.46Å; A167-F171 PolarHBondContact O-N 3.25Å; F171-Q173 PolarHBondContact O-N 3.12Å; F171-A174 PolarHBondContact O-N 3.43Å; F171-T175 WeakPolarHBondContact O-CB 3.38Å; F171-T175 PolarHBondContact O-N 3.34Å; F171-T175 PolarHBondContact O-OG1 3.03Å
172N61.6Low64.1Low110 Ų110103.2 Ų103.259%0.58860%0.597SS**Hα-helixtrans-61.8-40174.3-91.9-19000112.9G168 A169 T175 Q176G168-N172 PolarHBondContact O-N 3.36Å; A169-N172 PolarHBondContact O-N 2.97Å; N172-T175 PolarHBondContact O-N 3.29Å; N172-Q176 PolarHBondContact O-N 3.06Å; N172-Q176 VanDerWaalsContact O-N 3.16Å
173Q59.3Low63.4Low145 Ų145105.9 Ų105.968%0.67860%0.604SS**Hα-helixtrans-67-41.5174.2-87.7179.1-25.500113A169 A170 F171 T175 Q176 G177A169-Q173 PolarHBondContact O-N 2.93Å; A170-Q173 PolarHBondContact O-N 3.06Å; F171-Q173 PolarHBondContact O-N 3.12Å; Q173-T175 PolarHBondContact O-N 3.3Å; Q173-Q176 PolarHBondContact O-N 3.37Å; Q173-G177 PolarHBondContact O-N 3.04Å
174A57.6Low62.5Low64 Ų64107 Ų10753%0.52961%0.608SS.*Hα-helixtrans-66.2-26.8176.800000112.8A170 F171A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 2.98Å; F171-A174 PolarHBondContact O-N 3.43Å
175T56.4Low61.7Low68 Ų68104.3 Ų104.342%0.41760%0.603SS.*Hα-helixtrans-81.6-28.2177.9-42.30000111.9F171 N172 Q173F171-T175 WeakPolarHBondContact O-CB 3.38Å; F171-T175 PolarHBondContact O-N 3.34Å; F171-T175 PolarHBondContact O-OG1 3.03Å; N172-T175 PolarHBondContact O-N 3.29Å; Q173-T175 PolarHBondContact O-N 3.3Å
176Q54Low60.7Low159 Ų159106.9 Ų106.974%0.74361%0.606SS**Hα-helixtrans-78.2-19.8174.1-79.2-174.7-19.700114.3N172 Q173N172-Q176 PolarHBondContact O-N 3.06Å; N172-Q176 VanDerWaalsContact O-N 3.16Å; Q173-Q176 PolarHBondContact O-N 3.37Å
177G52.5Low59.7Low67 Ų67110.5 Ų110.569%0.69161%0.614SS**THydrogen-bonded Turntrans-86.38.5178.200000116.1Q173Q173-G177 PolarHBondContact O-N 3.04Å
178R47Very low58.7Low219 Ų219114.8 Ų114.883%0.82663%0.626SS**THydrogen-bonded Turntrans-112.622.1-176.5-83-176.770.3171.81.6114.7
179F46.6Very low57.7Low253 Ų253122 Ų122100%1.1165%0.649SS**  trans-120.40169.5-65.3-74.2000110.7

Retrieved 179 of 179 residues in 194 ms (Link to these results)

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