A0A077ZMH6_TRITR Loading...

DUF5641 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZMH6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 273 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
1M84Confident90.8Very high80 Ų8076.7 Ų76.739%0.39440%0.398SS..  0143.60-168.8175.7-76.200108.6Y3 R16 L104 V105 L108M1-Y3 HydrophobicContact SD-CE1 3.91Å; M1-R16 PolarHBondContact O-NE 2.75Å; M1-R16 PolarHBondContact O-NH2 3.5Å; M1-L104 HydrophobicContact CE-CB 4.47Å; M1-L104 HydrophobicContact CE-CD2 3.66Å; M1-L104 HydrophobicContact CE-CG 3.71Å; M1-V105 HydrophobicContact CE-CG2 3.6Å; M1-V105 HydrophobicContact SD-CG2 4.3Å; M1-L108 HydrophobicContact CE-CD1 3.58Å
2A88.2Confident90.9Very high52 Ų5275.3 Ų75.343%0.4340%0.395SS..  trans-124.6140.1169.900000106.7A13A2-A13 HydrophobicContact CB-CB 4.11Å
3Y88.8Confident91.1Very high160 Ų16071.5 Ų71.563%0.62738%0.381SS*.SBendtrans-95.6-16.4-173.5-69.3-80.4000112.9M1M1-Y3 HydrophobicContact SD-CE1 3.91Å
4S92.3Very high91.1Very high45 Ų4567.1 Ų67.132%0.31536%0.357SS..SBendtrans-141.7171.5172.5580000110.7D6 S9S4-D6 VanDerWaalsContact CB-OD2 3.3Å; S4-D6 WeakPolarHBondContact CB-OD2 3.14Å; S4-D6 PolarHBondContact OG-OD1 2.79Å; S4-D6 PolarHBondContact OG-OD2 3.19Å; S4-S9 PolarHBondContact N-OG 3.16Å; S4-S9 VanDerWaalsContact O-CB 3.24Å; S4-S9 WeakPolarHBondContact O-CB 3.49Å; S4-S9 WeakPolarHBondContact OG-CB 3.45Å; S4-S9 PolarHBondContact OG-OG 2.54Å
5L91.1Very high91Very high160 Ų16067.8 Ų67.884%0.83836%0.36SS*.SBendtrans-96.316.6178-65.8177.8000113.2N34L5-N34 WeakPolarHBondContact O-CB 3.47Å
6D93.3Very high91.1Very high74 Ų7468.8 Ų68.840%0.39636%0.358SS..SBendtrans-84.6174.817659.945.7000112.3S4 E8 S9 F10S4-D6 VanDerWaalsContact CB-OD2 3.3Å; S4-D6 WeakPolarHBondContact CB-OD2 3.14Å; S4-D6 PolarHBondContact OG-OD1 2.79Å; S4-D6 PolarHBondContact OG-OD2 3.19Å; D6-E8 VanDerWaalsContact C-N 3.34Å; D6-E8 PolarHBondContact OD1-N 3.09Å; D6-E8 VanDerWaalsContact OD1-N 3.09Å; D6-S9 WeakPolarHBondContact OD1-CB 3.4Å; D6-S9 PolarHBondContact OD1-N 2.67Å; D6-F10 WeakPolarHBondContact O-CB 3.3Å; D6-F10 PolarHBondContact O-N 3.17Å
7T91.5Very high91.1Very high36 Ų3670.8 Ų70.822%0.22136%0.363CS..Hα-helixtrans-65.1-36.4178.6-660000112.4F10 L11 N34 A38T7-F10 PolarHBondContact O-N 3.23Å; T7-L11 HydrophobicContact CG2-CD1 3.85Å; T7-L11 HydrophobicContact CG2-CG 4.22Å; T7-L11 WeakPolarHBondContact O-CB 3.43Å; T7-L11 VanDerWaalsContact O-CG 3.3Å; T7-L11 WeakPolarHBondContact O-CG 3.47Å; T7-L11 PolarHBondContact O-N 3.28Å; T7-N34 PolarHBondContact OG1-O 2.87Å; T7-A38 HydrophobicContact CG2-CB 4.15Å
8E92.4Very high91Very high147 Ų14768.8 Ų68.869%0.68735%0.352SS*.Hα-helixtrans-66.4-53.1-176.9-176.9178.8-176.700111D6 F10 L11 T12D6-E8 VanDerWaalsContact C-N 3.34Å; D6-E8 PolarHBondContact OD1-N 3.09Å; D6-E8 VanDerWaalsContact OD1-N 3.09Å; E8-F10 PolarHBondContact O-N 2.98Å; E8-L11 PolarHBondContact O-N 2.88Å; E8-L11 VanDerWaalsContact O-N 3.09Å; E8-T12 PolarHBondContact O-N 2.92Å; E8-T12 PolarHBondContact O-OG1 3.44Å
9S93Very high90.9Very high16 Ų1673.3 Ų73.311%0.11237%0.371CS..Hα-helixtrans-57.4-38.9176.5-970000112.3S4 D6 A13S4-S9 PolarHBondContact N-OG 3.16Å; S4-S9 VanDerWaalsContact O-CB 3.24Å; S4-S9 WeakPolarHBondContact O-CB 3.49Å; S4-S9 WeakPolarHBondContact OG-CB 3.45Å; S4-S9 PolarHBondContact OG-OG 2.54Å; D6-S9 WeakPolarHBondContact OD1-CB 3.4Å; D6-S9 PolarHBondContact OD1-N 2.67Å; S9-A13 WeakPolarHBondContact O-CB 3.3Å; S9-A13 PolarHBondContact O-N 2.94Å
10F92.9Very high90.6Very high37 Ų3777.3 Ų77.316%0.16239%0.388CS..Hα-helixtrans-65.9-47.3174.9170.9-96.9000111.7D6 T7 E8 T12 A13 M14 N34 F35 A38 W65D6-F10 WeakPolarHBondContact O-CB 3.3Å; D6-F10 PolarHBondContact O-N 3.17Å; T7-F10 PolarHBondContact O-N 3.23Å; E8-F10 PolarHBondContact O-N 2.98Å; F10-T12 VanDerWaalsContact C-N 3.33Å; F10-T12 PolarHBondContact O-N 3.25Å; F10-A13 CarbonylContact O-C 3.59Å; F10-A13 WeakPolarHBondContact O-CB 3.43Å; F10-A13 PolarHBondContact O-N 2.94Å; F10-A13 VanDerWaalsContact O-N 3.08Å; F10-M14 HydrophobicContact CE1-CB 4.37Å; F10-M14 HydrophobicContact CE1-SD 4.22Å; F10-M14 HydrophobicContact CZ-CB 4.23Å; F10-M14 HydrophobicContact CZ-SD 4.39Å; F10-M14 WeakPolarHBondContact O-CB 3.47Å; F10-M14 PolarHBondContact O-N 3.03Å; F10-N34 HydrophobicContact CB-CB 4.43Å; F10-F35 HydrophobicContact CD1-CD1 4.31Å; F10-F35 AromaticContact CD2-CD1 3.87Å; F10-F35 HydrophobicContact CD2-CD1 3.87Å; F10-F35 AromaticContact CD2-CE1 3.59Å; F10-F35 HydrophobicContact CD2-CE1 3.59Å; F10-F35 AromaticContact CE1-CD1 3.97Å; F10-F35 HydrophobicContact CE1-CD1 3.97Å; F10-F35 AromaticContact CE2-CD1 3.52Å; F10-F35 HydrophobicContact CE2-CD1 3.52Å; F10-F35 AromaticContact CE2-CE1 3.3Å; F10-F35 HydrophobicContact CE2-CE1 3.3Å; F10-F35 HydrophobicContact CG-CD1 4.26Å; F10-F35 HydrophobicContact CG-CE1 4.37Å; F10-F35 AromaticContact CZ-CD1 3.56Å; F10-F35 HydrophobicContact CZ-CD1 3.56Å; F10-F35 AromaticContact CZ-CE1 3.84Å; F10-F35 HydrophobicContact CZ-CE1 3.84Å; F10-A38 HydrophobicContact CD1-CB 3.43Å; F10-A38 VanDerWaalsContact CD1-CB 3.43Å; F10-A38 HydrophobicContact CE1-CB 3.45Å; F10-A38 VanDerWaalsContact CE1-CB 3.45Å; F10-W65 AromaticContact CE1-CH2 3.6Å; F10-W65 HydrophobicContact CE1-CH2 3.6Å; F10-W65 HydrophobicContact CE1-CZ2 4.19Å; F10-W65 AromaticContact CZ-CH2 3.68Å; F10-W65 HydrophobicContact CZ-CH2 3.68Å; F10-W65 HydrophobicContact CZ-CZ2 4.12Å
11L91.2Very high90.4Very high37 Ų3777.4 Ų77.419%0.19438%0.384CS..Hα-helixtrans-58.9-43.4177.1-77.2171.6000111.3T7 E8 A13 M14 L15 A38 E41T7-L11 HydrophobicContact CG2-CD1 3.85Å; T7-L11 HydrophobicContact CG2-CG 4.22Å; T7-L11 WeakPolarHBondContact O-CB 3.43Å; T7-L11 VanDerWaalsContact O-CG 3.3Å; T7-L11 WeakPolarHBondContact O-CG 3.47Å; T7-L11 PolarHBondContact O-N 3.28Å; E8-L11 PolarHBondContact O-N 2.88Å; E8-L11 VanDerWaalsContact O-N 3.09Å; L11-A13 VanDerWaalsContact C-N 3.3Å; L11-A13 PolarHBondContact O-N 2.88Å; L11-M14 HydrophobicContact CD2-CE 3.6Å; L11-M14 PolarHBondContact O-N 2.93Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 3.2Å; L11-A38 HydrophobicContact CD2-CB 3.68Å; L11-A38 HydrophobicContact CG-CB 3.99Å; L11-E41 HydrophobicContact CD1-CB 4.18Å; L11-E41 HydrophobicContact CD1-CG 4.43Å
12T92.5Very high90.5Very high60 Ų6075.5 Ų75.537%0.36839%0.385SS..Hα-helixtrans-64.4-37.3175.9-31.30000111.6E8 F10 L15 R16E8-T12 PolarHBondContact O-N 2.92Å; E8-T12 PolarHBondContact O-OG1 3.44Å; F10-T12 VanDerWaalsContact C-N 3.33Å; F10-T12 PolarHBondContact O-N 3.25Å; T12-L15 PolarHBondContact O-N 2.97Å; T12-R16 WeakPolarHBondContact O-CG 3.5Å; T12-R16 PolarHBondContact O-N 3.48Å
13A92.8Very high90.4Very high25 Ų2576.8 Ų76.821%0.20739%0.387CS..Hα-helixtrans-67.9-40.4176.800000112.2A2 S9 F10 L11 R16 F17A2-A13 HydrophobicContact CB-CB 4.11Å; S9-A13 WeakPolarHBondContact O-CB 3.3Å; S9-A13 PolarHBondContact O-N 2.94Å; F10-A13 CarbonylContact O-C 3.59Å; F10-A13 WeakPolarHBondContact O-CB 3.43Å; F10-A13 PolarHBondContact O-N 2.94Å; F10-A13 VanDerWaalsContact O-N 3.08Å; L11-A13 VanDerWaalsContact C-N 3.3Å; L11-A13 PolarHBondContact O-N 2.88Å; A13-R16 VanDerWaalsContact N-NH2 3.13Å; A13-R16 PolarHBondContact O-N 3.4Å; A13-F17 PolarHBondContact O-N 3.02Å
14M90.9Very high90.3Very high10 Ų1071 Ų715%0.04937%0.369CS..Hα-helixtrans-62.6-45.6173.8-179.1-170.973.300110.9F10 L11 R16 F17 Q18 Y27 L42 W65F10-M14 HydrophobicContact CE1-CB 4.37Å; F10-M14 HydrophobicContact CE1-SD 4.22Å; F10-M14 HydrophobicContact CZ-CB 4.23Å; F10-M14 HydrophobicContact CZ-SD 4.39Å; F10-M14 WeakPolarHBondContact O-CB 3.47Å; F10-M14 PolarHBondContact O-N 3.03Å; L11-M14 HydrophobicContact CD2-CE 3.6Å; L11-M14 PolarHBondContact O-N 2.93Å; M14-R16 PolarHBondContact O-N 3.24Å; M14-F17 WeakPolarHBondContact O-CB 3.45Å; M14-F17 PolarHBondContact O-N 3.38Å; M14-F17 VanDerWaalsContact O-N 3.15Å; M14-Q18 WeakPolarHBondContact O-CG 3.34Å; M14-Q18 PolarHBondContact O-N 3.36Å; M14-Y27 HydrophobicContact CG-CE1 4.17Å; M14-Y27 HydrophobicContact SD-CE1 4.3Å; M14-Y27 HydrophobicContact SD-CE2 4.47Å; M14-L42 HydrophobicContact CE-CD1 4.02Å; M14-L42 HydrophobicContact CE-CD2 4.06Å; M14-L42 HydrophobicContact CE-CG 4.39Å; M14-L42 HydrophobicContact SD-CD1 4.2Å; M14-W65 HydrophobicContact SD-CH2 4.06Å; M14-W65 HydrophobicContact SD-CZ3 3.87Å
15L90.3Very high90.1Very high78 Ų7873 Ų7341%0.40839%0.388SS..Hα-helixtrans-60.4-47175.8-73.1172.5000110.9L11 T12 F17 Q18 H19L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 3.2Å; T12-L15 PolarHBondContact O-N 2.97Å; L15-F17 VanDerWaalsContact C-N 3.27Å; L15-F17 PolarHBondContact O-N 3.01Å; L15-Q18 PolarHBondContact O-N 3.49Å; L15-H19 PolarHBondContact O-N 2.9Å; L15-H19 PolarHBondContact O-ND1 2.93Å
16R92.9Very high90Very high84 Ų8467 Ų6732%0.31736%0.362SS..Hα-helixtrans-53.5-46.7173.6-75.8-178.6-71.8-91.5-2.2111.4M1 T12 A13 M14 H19 H20M1-R16 PolarHBondContact O-NE 2.75Å; M1-R16 PolarHBondContact O-NH2 3.5Å; T12-R16 WeakPolarHBondContact O-CG 3.5Å; T12-R16 PolarHBondContact O-N 3.48Å; A13-R16 VanDerWaalsContact N-NH2 3.13Å; A13-R16 PolarHBondContact O-N 3.4Å; M14-R16 PolarHBondContact O-N 3.24Å; R16-H19 PolarHBondContact O-N 2.93Å; R16-H20 PolarHBondContact O-CD2 3.23Å; R16-H20 PolarHBondContact O-N 3.31Å; R16-H20 VanDerWaalsContact O-N 3.08Å
17F90.2Very high89.9Confident103 Ų10365 Ų6545%0.45235%0.349SS..Hα-helixtrans-58.9-48.9177.5175.2-93.1000112.4A13 M14 L15 H19 H20 R21A13-F17 PolarHBondContact O-N 3.02Å; M14-F17 WeakPolarHBondContact O-CB 3.45Å; M14-F17 PolarHBondContact O-N 3.38Å; M14-F17 VanDerWaalsContact O-N 3.15Å; L15-F17 VanDerWaalsContact C-N 3.27Å; L15-F17 PolarHBondContact O-N 3.01Å; F17-H19 PolarHBondContact O-N 3.4Å; F17-H20 PolarHBondContact O-N 3.31Å; F17-H20 VanDerWaalsContact O-N 3.12Å; F17-R21 HydrophobicContact CD2-CG 4.07Å; F17-R21 HydrophobicContact CE1-CB 4.31Å; F17-R21 HydrophobicContact CE2-CB 4.24Å; F17-R21 HydrophobicContact CE2-CG 3.75Å; F17-R21 HydrophobicContact CZ-CB 4.06Å; F17-R21 HydrophobicContact CZ-CG 4.08Å; F17-R21 WeakPolarHBondContact O-CB 3.38Å; F17-R21 PolarHBondContact O-N 2.92Å
18Q89.4Confident89.8Confident34 Ų3471.2 Ų71.216%0.15937%0.369CS..Hα-helixtrans-60.5-42.7178.2-68.61728.200112.2M14 L15 H20 R21 G22 Y27M14-Q18 WeakPolarHBondContact O-CG 3.34Å; M14-Q18 PolarHBondContact O-N 3.36Å; L15-Q18 PolarHBondContact O-N 3.49Å; Q18-H20 PolarHBondContact O-N 2.94Å; Q18-R21 PolarHBondContact O-N 3.27Å; Q18-G22 CarbonylContact O-C 3.43Å; Q18-G22 WeakPolarHBondContact O-CA 3.31Å; Q18-G22 PolarHBondContact O-N 3.49Å; Q18-Y27 WeakPolarHBondContact CG-OH 3.49Å; Q18-Y27 PolarHBondContact NE2-OH 3.06Å
19H89.4Confident89.6Confident155 Ų15564.7 Ų64.772%0.71834%0.339SS*.Hα-helixtrans-67.3-24.3177.9-70.387.1000112.5L15 R16 F17L15-H19 PolarHBondContact O-N 2.9Å; L15-H19 PolarHBondContact O-ND1 2.93Å; R16-H19 PolarHBondContact O-N 2.93Å; F17-H19 PolarHBondContact O-N 3.4Å
20H85.8Confident89.4Confident152 Ų15267.9 Ų67.970%0.70436%0.355SS*.Hα-helixtrans-88.1-32.3175.9-71.1-52.7000114.1R16 F17 Q18R16-H20 PolarHBondContact O-CD2 3.23Å; R16-H20 PolarHBondContact O-N 3.31Å; R16-H20 VanDerWaalsContact O-N 3.08Å; F17-H20 PolarHBondContact O-N 3.31Å; F17-H20 VanDerWaalsContact O-N 3.12Å; Q18-H20 PolarHBondContact O-N 2.94Å
21R85.4Confident89.2Confident81 Ų8169.8 Ų69.831%0.30637%0.367SS..Hα-helixtrans-122.1-6.3-167.7-59.1-61.2-171163.2-1.3114.4F17 Q18 E112 M140F17-R21 HydrophobicContact CD2-CG 4.07Å; F17-R21 HydrophobicContact CE1-CB 4.31Å; F17-R21 HydrophobicContact CE2-CB 4.24Å; F17-R21 HydrophobicContact CE2-CG 3.75Å; F17-R21 HydrophobicContact CZ-CB 4.06Å; F17-R21 HydrophobicContact CZ-CG 4.08Å; F17-R21 WeakPolarHBondContact O-CB 3.38Å; F17-R21 PolarHBondContact O-N 2.92Å; Q18-R21 PolarHBondContact O-N 3.27Å; R21-E112 IonicContact CZ-OE1 3.92Å; R21-E112 IonicContact NH2-OE1 2.81Å; R21-E112 PolarHBondContact NH2-OE1 3.37Å; R21-M140 PolarHBondContact NH1-SD 3.47Å
22G86Confident89Confident40 Ų4068.9 Ų68.941%0.41237%0.367SS..  trans83.9165.8-167.100000112.6Q18Q18-G22 CarbonylContact O-C 3.43Å; Q18-G22 WeakPolarHBondContact O-CA 3.31Å; Q18-G22 PolarHBondContact O-N 3.49Å
23T86.3Confident89Confident79 Ų7975.3 Ų75.349%0.48539%0.39SS..  trans-78.5120.8178.1-54.40000110.1A63T23-A63 HydrophobicContact CG2-CB 4.46Å
24P87.4Confident88.9Confident37 Ų3775.6 Ų75.624%0.2439%0.388CS..  trans-68.8156.4176.930.7-36000111.4A26 Y27 A63P24-A26 VanDerWaalsContact C-N 3.31Å; P24-Y27 WeakPolarHBondContact CD-OH 3.37Å; P24-Y27 HydrophobicContact CG-CD1 4.11Å; P24-Y27 HydrophobicContact CG-CE1 3.43Å; P24-Y27 VanDerWaalsContact CG-CE1 3.43Å; P24-Y27 HydrophobicContact CG-CE2 4.01Å; P24-Y27 WeakPolarHBondContact CG-OH 3.36Å; P24-A63 WeakPolarHBondContact O-CB 3.4Å
25A87.3Confident88.9Confident87 Ų8777.4 Ų77.472%0.71940%0.396SS*.SBendtrans-69.2-30173.900000112.6A63 A64A25-A63 WeakPolarHBondContact O-CA 3.39Å; A25-A64 PolarHBondContact O-N 2.75Å
26A89.6Confident88.9Confident36 Ų3676.1 Ų76.130%0.29839%0.391SS..EExtended strand (participates in β ladder)trans-149.7149.5177.400000112.5P24 A64P24-A26 VanDerWaalsContact C-N 3.31Å; A26-A64 CarbonylContact C-O 3.5Å; A26-A64 WeakPolarHBondContact CA-O 3.21Å; A26-A64 HydrophobicContact CB-CB 4.11Å
27Y89.8Confident88.8Confident30 Ų3072.7 Ų72.712%0.11838%0.382CS..EExtended strand (participates in β ladder)trans-102.9142.4167.2-64.9-77000110M14 Q18 P24 A63 A64 W65 N66M14-Y27 HydrophobicContact CG-CE1 4.17Å; M14-Y27 HydrophobicContact SD-CE1 4.3Å; M14-Y27 HydrophobicContact SD-CE2 4.47Å; Q18-Y27 WeakPolarHBondContact CG-OH 3.49Å; Q18-Y27 PolarHBondContact NE2-OH 3.06Å; P24-Y27 WeakPolarHBondContact CD-OH 3.37Å; P24-Y27 HydrophobicContact CG-CD1 4.11Å; P24-Y27 HydrophobicContact CG-CE1 3.43Å; P24-Y27 VanDerWaalsContact CG-CE1 3.43Å; P24-Y27 HydrophobicContact CG-CE2 4.01Å; P24-Y27 WeakPolarHBondContact CG-OH 3.36Å; Y27-A63 HydrophobicContact CD2-CB 3.77Å; Y27-A63 HydrophobicContact CE2-CB 3.39Å; Y27-A64 PolarHBondContact N-O 3.45Å; Y27-W65 HydrophobicContact CD2-CD2 4.36Å; Y27-W65 AromaticContact CD2-CE3 3.66Å; Y27-W65 HydrophobicContact CD2-CE3 3.66Å; Y27-W65 AromaticContact CD2-CZ3 3.76Å; Y27-W65 HydrophobicContact CD2-CZ3 3.76Å; Y27-W65 HydrophobicContact CE2-CE3 4.49Å; Y27-W65 HydrophobicContact CE2-CZ3 4.3Å; Y27-W65 HydrophobicContact CG-CD2 4.31Å; Y27-W65 AromaticContact CG-CE3 3.94Å; Y27-W65 HydrophobicContact CG-CE3 3.94Å; Y27-W65 HydrophobicContact CG-CH2 4.24Å; Y27-W65 AromaticContact CG-CZ3 3.89Å; Y27-W65 HydrophobicContact CG-CZ3 3.89Å; Y27-N66 PolarHBondContact O-N 3.32Å
28W89.3Confident88.8Confident168 Ų16867.8 Ų67.864%0.63636%0.36SS*.EExtended strand (participates in β ladder)trans-124.4126.9172.4-70.186.2000108.7N66W28-N66 WeakPolarHBondContact CA-O 3.33Å; W28-N66 HydrophobicContact CD2-CB 3.64Å; W28-N66 HydrophobicContact CE3-CB 3.47Å; W28-N66 VanDerWaalsContact CE3-CB 3.47Å; W28-N66 HydrophobicContact CG-CB 4.36Å; W28-N66 HydrophobicContact CH2-CB 3.83Å; W28-N66 HydrophobicContact CZ2-CB 3.98Å; W28-N66 WeakPolarHBondContact CZ2-ND2 3.31Å; W28-N66 HydrophobicContact CZ3-CB 3.58Å
29S89.8Confident88.9Confident9 Ų967.9 Ų67.96%0.06336%0.362CS..EExtended strand (participates in β ladder)trans-147.7165.9179.4710000112.5W65 N66 F67 I68S29-W65 PolarHBondContact OG-NE1 3.1Å; S29-N66 PolarHBondContact N-O 3.27Å; S29-N66 VanDerWaalsContact N-O 3.1Å; S29-F67 WeakPolarHBondContact O-CA 3.33Å; S29-F67 WeakPolarHBondContact OG-CD1 3.31Å; S29-F67 VanDerWaalsContact OG-CE1 3.28Å; S29-F67 WeakPolarHBondContact OG-CE1 3.24Å; S29-I68 PolarHBondContact O-N 2.99Å
30D87.9Confident89Confident84 Ų8467.5 Ų67.545%0.44935%0.354SS..  trans-73.4177.4161.16822.2000110.9G32 F35 F67D30-G32 PolarHBondContact O-N 3.4Å; D30-G32 VanDerWaalsContact O-N 3.16Å; D30-G32 WeakPolarHBondContact OD1-CA 3.25Å; D30-G32 PolarHBondContact OD1-N 3.05Å; D30-F35 WeakPolarHBondContact OD1-CD2 3.16Å; D30-F35 VanDerWaalsContact OD1-CE2 3.24Å; D30-F35 WeakPolarHBondContact OD1-CE2 3.47Å; D30-F67 VanDerWaalsContact O-CD1 3.22Å; D30-F67 WeakPolarHBondContact O-CD1 3.24Å
31N88.4Confident89.1Confident76 Ų7663.7 Ų63.741%0.40634%0.336SS..  trans-82.128.2178.4-65.8-60.4000113.4F67 I68N31-F67 WeakPolarHBondContact OD1-CB 3.41Å; N31-F67 WeakPolarHBondContact OD1-CD1 3.35Å; N31-I68 PolarHBondContact ND2-O 3.45Å
32G87.3Confident89Confident19 Ų1962.3 Ų62.320%0.19634%0.335CS..  trans-55.4137.9174.600000112D30 N34 F35 V36D30-G32 PolarHBondContact O-N 3.4Å; D30-G32 VanDerWaalsContact O-N 3.16Å; D30-G32 WeakPolarHBondContact OD1-CA 3.25Å; D30-G32 PolarHBondContact OD1-N 3.05Å; G32-N34 PolarHBondContact O-N 3.06Å; G32-F35 PolarHBondContact O-N 2.86Å; G32-V36 WeakPolarHBondContact O-CG2 3.48Å; G32-V36 PolarHBondContact O-N 2.9Å
33K92.2Very high88.9Confident194 Ų19464.5 Ų64.584%0.84334%0.337SS*.Hα-helixtrans-56.3-37.2-175.4-70.6-177.6178.2179.30112.8G37K33-G37 PolarHBondContact O-N 2.99Å
34N91Very high88.9Confident32 Ų3264.5 Ų64.517%0.17133%0.33CS..Hα-helixtrans-62.7-44.9175.858.5-27.9000112.3L5 T7 F10 G32 A38L5-N34 WeakPolarHBondContact O-CB 3.47Å; T7-N34 PolarHBondContact OG1-O 2.87Å; F10-N34 HydrophobicContact CB-CB 4.43Å; G32-N34 PolarHBondContact O-N 3.06Å; N34-A38 WeakPolarHBondContact O-CB 3.28Å; N34-A38 PolarHBondContact O-N 3.27Å
35F90.7Very high88.5Confident47 Ų4765.8 Ų65.821%0.20634%0.339CS..Hα-helixtrans-69.3-43.9177.8-55.6-58.9000112.2F10 D30 G32 G37 A38 N39 W65 F67F10-F35 HydrophobicContact CD1-CD1 4.31Å; F10-F35 AromaticContact CD2-CD1 3.87Å; F10-F35 HydrophobicContact CD2-CD1 3.87Å; F10-F35 AromaticContact CD2-CE1 3.59Å; F10-F35 HydrophobicContact CD2-CE1 3.59Å; F10-F35 AromaticContact CE1-CD1 3.97Å; F10-F35 HydrophobicContact CE1-CD1 3.97Å; F10-F35 AromaticContact CE2-CD1 3.52Å; F10-F35 HydrophobicContact CE2-CD1 3.52Å; F10-F35 AromaticContact CE2-CE1 3.3Å; F10-F35 HydrophobicContact CE2-CE1 3.3Å; F10-F35 HydrophobicContact CG-CD1 4.26Å; F10-F35 HydrophobicContact CG-CE1 4.37Å; F10-F35 AromaticContact CZ-CD1 3.56Å; F10-F35 HydrophobicContact CZ-CD1 3.56Å; F10-F35 AromaticContact CZ-CE1 3.84Å; F10-F35 HydrophobicContact CZ-CE1 3.84Å; D30-F35 WeakPolarHBondContact OD1-CD2 3.16Å; D30-F35 VanDerWaalsContact OD1-CE2 3.24Å; D30-F35 WeakPolarHBondContact OD1-CE2 3.47Å; G32-F35 PolarHBondContact O-N 2.86Å; F35-G37 VanDerWaalsContact C-N 3.33Å; F35-G37 PolarHBondContact O-N 3.09Å; F35-A38 PolarHBondContact O-N 3.02Å; F35-N39 PolarHBondContact O-N 3.41Å; F35-W65 HydrophobicContact CB-CZ2 4.18Å; F35-W65 HydrophobicContact CD1-CZ2 4.39Å; F35-F67 HydrophobicContact CB-CE1 4.12Å
36V91.7Very high87.9Confident51 Ų5164.2 Ų64.231%0.30932%0.318SS..Hα-helixtrans-62-43.3175.8175.10000110.6G32 A38 N39 R40 F67G32-V36 WeakPolarHBondContact O-CG2 3.48Å; G32-V36 PolarHBondContact O-N 2.9Å; V36-A38 VanDerWaalsContact C-N 3.34Å; V36-N39 PolarHBondContact O-N 2.92Å; V36-R40 WeakPolarHBondContact O-CB 3.32Å; V36-R40 PolarHBondContact O-N 2.83Å; V36-F67 HydrophobicContact CG2-CD1 4.4Å; V36-F67 HydrophobicContact CG2-CE1 3.76Å; V36-F67 HydrophobicContact CG2-CZ 4.13Å
37G90.6Very high87.3Confident12 Ų1269.2 Ų69.212%0.12434%0.335CS..Hα-helixtrans-61-42.2173.700000112.2K33 F35 R40 E41K33-G37 PolarHBondContact O-N 2.99Å; F35-G37 VanDerWaalsContact C-N 3.33Å; F35-G37 PolarHBondContact O-N 3.09Å; G37-R40 WeakPolarHBondContact O-CB 3.22Å; G37-R40 PolarHBondContact O-N 2.8Å; G37-E41 WeakPolarHBondContact O-CG 3.4Å; G37-E41 PolarHBondContact O-N 3.08Å
38A90.4Very high86.6Confident0 Ų077.7 Ų77.70%037%0.367CS..Hα-helixtrans-66-43.9178.800000112.6T7 F10 L11 N34 F35 V36 R40 E41 L42 W65T7-A38 HydrophobicContact CG2-CB 4.15Å; F10-A38 HydrophobicContact CD1-CB 3.43Å; F10-A38 VanDerWaalsContact CD1-CB 3.43Å; F10-A38 HydrophobicContact CE1-CB 3.45Å; F10-A38 VanDerWaalsContact CE1-CB 3.45Å; L11-A38 HydrophobicContact CD2-CB 3.68Å; L11-A38 HydrophobicContact CG-CB 3.99Å; N34-A38 WeakPolarHBondContact O-CB 3.28Å; N34-A38 PolarHBondContact O-N 3.27Å; F35-A38 PolarHBondContact O-N 3.02Å; V36-A38 VanDerWaalsContact C-N 3.34Å; A38-R40 VanDerWaalsContact C-N 3.28Å; A38-R40 PolarHBondContact O-N 3.37Å; A38-E41 PolarHBondContact O-N 2.94Å; A38-L42 WeakPolarHBondContact O-CG 3.43Å; A38-L42 PolarHBondContact O-N 2.93Å; A38-W65 HydrophobicContact CB-CH2 4.41Å
39N91Very high85.6Confident37 Ų3774.1 Ų74.120%0.19836%0.36CS..Hα-helixtrans-59.6-40.9173.6-17643.2000111.2F35 V36 L42 L43 W65 F67F35-N39 PolarHBondContact O-N 3.41Å; V36-N39 PolarHBondContact O-N 2.92Å; N39-L42 PolarHBondContact O-N 2.96Å; N39-L43 WeakPolarHBondContact O-CB 3.33Å; N39-L43 VanDerWaalsContact O-CG 3.31Å; N39-L43 WeakPolarHBondContact O-CG 3.49Å; N39-L43 PolarHBondContact O-N 2.85Å; N39-W65 HydrophobicContact CB-CD2 3.97Å; N39-W65 HydrophobicContact CB-CE3 4.22Å; N39-W65 HydrophobicContact CB-CG 4.11Å; N39-W65 WeakPolarHBondContact OD1-CB 3.37Å; N39-F67 HydrophobicContact CB-CE2 4.11Å; N39-F67 HydrophobicContact CB-CZ 3.86Å
40R90.6Very high84.1Confident147 Ų14777.8 Ų77.856%0.55538%0.379SS*.Hα-helixtrans-60.7-46.3175.2-173.5-172.1-63.2162.6-0.6112.1V36 G37 A38 L43 K44V36-R40 WeakPolarHBondContact O-CB 3.32Å; V36-R40 PolarHBondContact O-N 2.83Å; G37-R40 WeakPolarHBondContact O-CB 3.22Å; G37-R40 PolarHBondContact O-N 2.8Å; A38-R40 VanDerWaalsContact C-N 3.28Å; A38-R40 PolarHBondContact O-N 3.37Å; R40-L43 PolarHBondContact O-N 3.4Å; R40-K44 WeakPolarHBondContact O-CG 3.26Å; R40-K44 PolarHBondContact O-N 3.46Å
41E87.9Confident82.9Confident71 Ų7180 Ų8033%0.33239%0.387SS..Hα-helixtrans-65.6-39.5177.8-67.7-50.5129.100112L11 G37 A38 L43 K44 C45L11-E41 HydrophobicContact CD1-CB 4.18Å; L11-E41 HydrophobicContact CD1-CG 4.43Å; G37-E41 WeakPolarHBondContact O-CG 3.4Å; G37-E41 PolarHBondContact O-N 3.08Å; A38-E41 PolarHBondContact O-N 2.94Å; E41-L43 PolarHBondContact O-N 3.46Å; E41-K44 PolarHBondContact O-N 2.89Å; E41-K44 IonicContact OE1-NZ 2.75Å; E41-K44 PolarHBondContact OE1-NZ 3.34Å; E41-K44 IonicContact OE2-NZ 3.84Å; E41-C45 PolarHBondContact O-N 3.48Å; E41-C45 PolarHBondContact O-SG 3.35Å; E41-C45 VanDerWaalsContact O-SG 3.38Å
42L84Confident81.2Confident52 Ų5280.2 Ų80.227%0.27239%0.39SS..Hα-helixtrans-61-45.4174-74172.2000112.1M14 A38 N39 K44 C45 L46 W65M14-L42 HydrophobicContact CE-CD1 4.02Å; M14-L42 HydrophobicContact CE-CD2 4.06Å; M14-L42 HydrophobicContact CE-CG 4.39Å; M14-L42 HydrophobicContact SD-CD1 4.2Å; A38-L42 WeakPolarHBondContact O-CG 3.43Å; A38-L42 PolarHBondContact O-N 2.93Å; N39-L42 PolarHBondContact O-N 2.96Å; L42-K44 PolarHBondContact O-N 3.01Å; L42-C45 PolarHBondContact O-N 3.13Å; L42-L46 WeakPolarHBondContact O-CG 3.29Å; L42-L46 PolarHBondContact O-N 3.41Å; L42-W65 HydrophobicContact CD1-CE3 3.74Å; L42-W65 HydrophobicContact CD1-CZ3 3.44Å; L42-W65 VanDerWaalsContact CD1-CZ3 3.44Å
43L84.2Confident79.6Confident86 Ų8686.1 Ų86.145%0.4541%0.411SS..Hα-helixtrans-62.6-41.2176.6-71.8172.3000112N39 R40 E41 L46 Q47N39-L43 WeakPolarHBondContact O-CB 3.33Å; N39-L43 VanDerWaalsContact O-CG 3.31Å; N39-L43 WeakPolarHBondContact O-CG 3.49Å; N39-L43 PolarHBondContact O-N 2.85Å; R40-L43 PolarHBondContact O-N 3.4Å; E41-L43 PolarHBondContact O-N 3.46Å; L43-L46 PolarHBondContact O-N 3.49Å; L43-Q47 VanDerWaalsContact O-CG 3.31Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 3.08Å
44K85.6Confident77.9Confident80 Ų8078.3 Ų78.335%0.34838%0.378SS..Hα-helixtrans-61.6-43.6173.8-73.1173.6-178.2171.80112.1R40 E41 L42 L46 Q47 R48R40-K44 WeakPolarHBondContact O-CG 3.26Å; R40-K44 PolarHBondContact O-N 3.46Å; E41-K44 PolarHBondContact O-N 2.89Å; E41-K44 IonicContact OE1-NZ 2.75Å; E41-K44 PolarHBondContact OE1-NZ 3.34Å; E41-K44 IonicContact OE2-NZ 3.84Å; L42-K44 PolarHBondContact O-N 3.01Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-Q47 PolarHBondContact O-N 2.66Å; K44-R48 WeakPolarHBondContact O-CG 3.16Å; K44-R48 PolarHBondContact O-N 3.43Å
45C79.4Confident76.1Confident64 Ų6482.5 Ų82.543%0.43241%0.405SS..Hα-helixtrans-61.7-42.9176-730000111.3E41 L42 Q47 R48 L49E41-C45 PolarHBondContact O-N 3.48Å; E41-C45 PolarHBondContact O-SG 3.35Å; E41-C45 VanDerWaalsContact O-SG 3.38Å; L42-C45 PolarHBondContact O-N 3.13Å; C45-Q47 VanDerWaalsContact C-N 3.32Å; C45-Q47 PolarHBondContact O-N 3.31Å; C45-R48 PolarHBondContact O-N 3Å; C45-L49 VanDerWaalsContact O-CG 3.31Å; C45-L49 WeakPolarHBondContact O-CG 3.46Å; C45-L49 PolarHBondContact O-N 3.42Å
46L74.4Confident74.2Confident53 Ų5386.8 Ų86.828%0.27743%0.426SS..Hα-helixtrans-64.5-34176-71.1172.7000113L42 L43 K44 L49 V60L42-L46 WeakPolarHBondContact O-CG 3.29Å; L42-L46 PolarHBondContact O-N 3.41Å; L43-L46 PolarHBondContact O-N 3.49Å; K44-L46 VanDerWaalsContact C-N 3.33Å; L46-L49 HydrophobicContact CD2-CD1 4.46Å; L46-V60 HydrophobicContact CD2-CG1 4.48Å
47Q76.3Confident72.2Confident141 Ų14191.1 Ų91.166%0.65945%0.447SS*.Hα-helixtrans-69.9-33.3174.5-74.3171.7-8.900112.6L43 K44 C45L43-Q47 VanDerWaalsContact O-CG 3.31Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 3.08Å; K44-Q47 PolarHBondContact O-N 2.66Å; C45-Q47 VanDerWaalsContact C-N 3.32Å; C45-Q47 PolarHBondContact O-N 3.31Å
48R76.2Confident69.9Low209 Ų20995.9 Ų95.979%0.78947%0.469SS*.Hα-helixtrans-78.3-28.9176.6-71.5178.7-179.6171.7-0.6113.1K44 C45 D50K44-R48 WeakPolarHBondContact O-CG 3.16Å; K44-R48 PolarHBondContact O-N 3.43Å; C45-R48 PolarHBondContact O-N 3Å; R48-D50 PolarHBondContact O-N 3.49Å
49L67Low68Low92 Ų92101.4 Ų101.448%0.48251%0.507SS..SBendtrans-69.798.9171.9-72.6168.4000107.5C45 L46 Q51 I54C45-L49 VanDerWaalsContact O-CG 3.31Å; C45-L49 WeakPolarHBondContact O-CG 3.46Å; C45-L49 PolarHBondContact O-N 3.42Å; L46-L49 HydrophobicContact CD2-CD1 4.46Å; L49-Q51 PolarHBondContact O-N 2.99Å; L49-Q51 VanDerWaalsContact O-N 3.1Å; L49-I54 HydrophobicContact CB-CD1 4.01Å
50D59.8Low66.2Low87 Ų87102.2 Ų102.247%0.46551%0.514SS..  trans-32111.6178.7-164.3-6.6000112R48 V52 K53 I54R48-D50 PolarHBondContact O-N 3.49Å; D50-V52 PolarHBondContact O-N 3.05Å; D50-V52 PolarHBondContact OD1-N 3.01Å; D50-K53 PolarHBondContact O-N 3.05Å; D50-I54 PolarHBondContact O-N 3.22Å
51Q61.1Low64.6Low131 Ų131105.2 Ų105.261%0.61253%0.525SS*.Hα-helixtrans-55.5-28.3-176.8-91.9146.5-12.800111.6L49 I54 T55L49-Q51 PolarHBondContact O-N 2.99Å; L49-Q51 VanDerWaalsContact O-N 3.1Å; Q51-I54 PolarHBondContact O-N 2.92Å; Q51-T55 PolarHBondContact O-N 2.76Å; Q51-T55 PolarHBondContact O-OG1 3.25Å
52V54.3Low63.6Low79 Ų79109.7 Ų109.748%0.47954%0.539SS..Hα-helixtrans-64.1-44177.1-175.70000111.6D50 I54 T55 E56D50-V52 PolarHBondContact O-N 3.05Å; D50-V52 PolarHBondContact OD1-N 3.01Å; V52-I54 PolarHBondContact O-N 3.18Å; V52-T55 PolarHBondContact O-N 2.69Å; V52-T55 PolarHBondContact O-OG1 3.1Å; V52-T55 VanDerWaalsContact O-OG1 3.08Å; V52-E56 PolarHBondContact O-N 2.9Å
53K53.7Low63.2Low144 Ų144108.7 Ų108.763%0.62654%0.539SS*.Hα-helixtrans-71.9-27.7-179.9-76.3-175.6177.6177.30113.9D50 N57D50-K53 PolarHBondContact O-N 3.05Å; K53-N57 PolarHBondContact O-N 2.72Å
54I55.3Low63.3Low29 Ų29107 Ų10715%0.14954%0.537CS..Hα-helixtrans-71.5-34.8177.5-61.6176.8000110.6L49 D50 Q51 V52 V60L49-I54 HydrophobicContact CB-CD1 4.01Å; D50-I54 PolarHBondContact O-N 3.22Å; Q51-I54 PolarHBondContact O-N 2.92Å; V52-I54 PolarHBondContact O-N 3.18Å; I54-V60 HydrophobicContact CG1-CG2 4.3Å; I54-V60 HydrophobicContact CG2-CB 4.28Å; I54-V60 HydrophobicContact CG2-CG2 4.4Å
55T53.5Low63.5Low121 Ų121104.8 Ų104.874%0.74253%0.526SS*.Hα-helixtrans-75.8-32.617817.20000113.8Q51 V52Q51-T55 PolarHBondContact O-N 2.76Å; Q51-T55 PolarHBondContact O-OG1 3.25Å; V52-T55 PolarHBondContact O-N 2.69Å; V52-T55 PolarHBondContact O-OG1 3.1Å; V52-T55 VanDerWaalsContact O-OG1 3.08Å
56E51.5Low64Low137 Ų137104.3 Ų104.364%0.6452%0.52SS*.Hα-helixtrans-94.5-28.1-168-71.9-177.5166.900115.3V52V52-E56 PolarHBondContact O-N 2.9Å
57N48.6Very low64.6Low142 Ų142104.5 Ų104.576%0.75952%0.518SS*.THydrogen-bonded Turntrans-146.2-5.9-169.6-81.3-64.6000116.8K53K53-N57 PolarHBondContact O-N 2.72Å
58L43.6Very low65Low112 Ų11298.5 Ų98.559%0.58649%0.491SS*.  trans-137.4110.8-176-70.2166.3000109.7V60L58-V60 HydrophobicContact CB-CG2 3.86Å; L58-V60 PolarHBondContact O-N 2.98Å
59S50.3Low65.1Low115 Ų11591.8 Ų91.880%0.80447%0.474SS*.  trans-66.769.3161.650.70000109.2R61S59-R61 PolarHBondContact O-N 3.31Å
60V53.6Low65.4Low55 Ų5592.8 Ų92.833%0.33349%0.486SS..  trans-64.891.4169-177.20000105.3L46 I54 L58 R62L46-V60 HydrophobicContact CD2-CG1 4.48Å; I54-V60 HydrophobicContact CG1-CG2 4.3Å; I54-V60 HydrophobicContact CG2-CB 4.28Å; I54-V60 HydrophobicContact CG2-CG2 4.4Å; L58-V60 HydrophobicContact CB-CG2 3.86Å; L58-V60 PolarHBondContact O-N 2.98Å; V60-R62 VanDerWaalsContact C-N 3.33Å; V60-R62 PolarHBondContact O-N 3.16Å
61R56.1Low65.6Low209 Ų20996.4 Ų96.479%0.78950%0.504SS*.  trans-57.6102.3174.6-75.7-173.1177.1-172.4-0.8106.8S59 A63S59-R61 PolarHBondContact O-N 3.31Å; R61-A63 PolarHBondContact O-N 2.82Å; R61-A63 VanDerWaalsContact O-N 3.16Å
62R66.7Low65.7Low165 Ų16590.8 Ų90.862%0.62348%0.479SS*.  trans-66.7113.2175.5-64.8-177.3-177.9-177.81.1106.6V60 A64V60-R62 VanDerWaalsContact C-N 3.33Å; V60-R62 PolarHBondContact O-N 3.16Å; R62-A64 PolarHBondContact O-N 2.71Å
63A76Confident66.2Low32 Ų3291 Ų9126%0.26448%0.483SS..  trans-71.8117.3168.800000107.9T23 P24 A25 Y27 R61T23-A63 HydrophobicContact CG2-CB 4.46Å; P24-A63 WeakPolarHBondContact O-CB 3.4Å; A25-A63 WeakPolarHBondContact O-CA 3.39Å; Y27-A63 HydrophobicContact CD2-CB 3.77Å; Y27-A63 HydrophobicContact CE2-CB 3.39Å; R61-A63 PolarHBondContact O-N 2.82Å; R61-A63 VanDerWaalsContact O-N 3.16Å
64A85.8Confident66.9Low50 Ų5091 Ų9141%0.41348%0.484SS..EExtended strand (participates in β ladder)trans-67.3142.1172.900000109.6A25 A26 Y27 R62A25-A64 PolarHBondContact O-N 2.75Å; A26-A64 CarbonylContact C-O 3.5Å; A26-A64 WeakPolarHBondContact CA-O 3.21Å; A26-A64 HydrophobicContact CB-CB 4.11Å; Y27-A64 PolarHBondContact N-O 3.45Å; R62-A64 PolarHBondContact O-N 2.71Å
65W90.1Very high67.5Low33 Ų3394.5 Ų94.513%0.12550%0.501CS..EExtended strand (participates in β ladder)trans-112.6115.7173.8-156.2-59.8000110.2F10 M14 Y27 S29 F35 A38 N39 L42 F67F10-W65 AromaticContact CE1-CH2 3.6Å; F10-W65 HydrophobicContact CE1-CH2 3.6Å; F10-W65 HydrophobicContact CE1-CZ2 4.19Å; F10-W65 AromaticContact CZ-CH2 3.68Å; F10-W65 HydrophobicContact CZ-CH2 3.68Å; F10-W65 HydrophobicContact CZ-CZ2 4.12Å; M14-W65 HydrophobicContact SD-CH2 4.06Å; M14-W65 HydrophobicContact SD-CZ3 3.87Å; Y27-W65 HydrophobicContact CD2-CD2 4.36Å; Y27-W65 AromaticContact CD2-CE3 3.66Å; Y27-W65 HydrophobicContact CD2-CE3 3.66Å; Y27-W65 AromaticContact CD2-CZ3 3.76Å; Y27-W65 HydrophobicContact CD2-CZ3 3.76Å; Y27-W65 HydrophobicContact CE2-CE3 4.49Å; Y27-W65 HydrophobicContact CE2-CZ3 4.3Å; Y27-W65 HydrophobicContact CG-CD2 4.31Å; Y27-W65 AromaticContact CG-CE3 3.94Å; Y27-W65 HydrophobicContact CG-CE3 3.94Å; Y27-W65 HydrophobicContact CG-CH2 4.24Å; Y27-W65 AromaticContact CG-CZ3 3.89Å; Y27-W65 HydrophobicContact CG-CZ3 3.89Å; S29-W65 PolarHBondContact OG-NE1 3.1Å; F35-W65 HydrophobicContact CB-CZ2 4.18Å; F35-W65 HydrophobicContact CD1-CZ2 4.39Å; A38-W65 HydrophobicContact CB-CH2 4.41Å; N39-W65 HydrophobicContact CB-CD2 3.97Å; N39-W65 HydrophobicContact CB-CE3 4.22Å; N39-W65 HydrophobicContact CB-CG 4.11Å; N39-W65 WeakPolarHBondContact OD1-CB 3.37Å; L42-W65 HydrophobicContact CD1-CE3 3.74Å; L42-W65 HydrophobicContact CD1-CZ3 3.44Å; L42-W65 VanDerWaalsContact CD1-CZ3 3.44Å; W65-F67 AromaticContact CD1-CD2 3.76Å; W65-F67 AromaticContact CD1-CE1 3.89Å; W65-F67 AromaticContact CD1-CE2 3.25Å; W65-F67 AromaticContact CD1-CZ 3.32Å; W65-F67 AromaticContact CG-CE2 3.97Å; W65-F67 HydrophobicContact CG-CE2 3.97Å; W65-F67 HydrophobicContact CG-CZ 4.14Å; W65-F67 AromaticContact NE1-CE1 3.54Å; W65-F67 AromaticContact NE1-CE2 3.77Å; W65-F67 AromaticContact NE1-CZ 3.3Å; W65-F67 VanDerWaalsContact NE1-CZ 3.3Å
66N89.5Confident68.5Low55 Ų5588.8 Ų88.829%0.29447%0.466SS..EExtended strand (participates in β ladder)trans-108.9124.3-179.6-58.7-57000109.8Y27 W28 S29Y27-N66 PolarHBondContact O-N 3.32Å; W28-N66 WeakPolarHBondContact CA-O 3.33Å; W28-N66 HydrophobicContact CD2-CB 3.64Å; W28-N66 HydrophobicContact CE3-CB 3.47Å; W28-N66 VanDerWaalsContact CE3-CB 3.47Å; W28-N66 HydrophobicContact CG-CB 4.36Å; W28-N66 HydrophobicContact CH2-CB 3.83Å; W28-N66 HydrophobicContact CZ2-CB 3.98Å; W28-N66 WeakPolarHBondContact CZ2-ND2 3.31Å; W28-N66 HydrophobicContact CZ3-CB 3.58Å; S29-N66 PolarHBondContact N-O 3.27Å; S29-N66 VanDerWaalsContact N-O 3.1Å
67F88.6Confident69.8Low57 Ų5783.6 Ų83.625%0.2545%0.45CS..EExtended strand (participates in β ladder)trans-100.1135.8175-70-84000110.3S29 D30 N31 F35 V36 N39 W65S29-F67 WeakPolarHBondContact O-CA 3.33Å; S29-F67 WeakPolarHBondContact OG-CD1 3.31Å; S29-F67 VanDerWaalsContact OG-CE1 3.28Å; S29-F67 WeakPolarHBondContact OG-CE1 3.24Å; D30-F67 VanDerWaalsContact O-CD1 3.22Å; D30-F67 WeakPolarHBondContact O-CD1 3.24Å; N31-F67 WeakPolarHBondContact OD1-CB 3.41Å; N31-F67 WeakPolarHBondContact OD1-CD1 3.35Å; F35-F67 HydrophobicContact CB-CE1 4.12Å; V36-F67 HydrophobicContact CG2-CD1 4.4Å; V36-F67 HydrophobicContact CG2-CE1 3.76Å; V36-F67 HydrophobicContact CG2-CZ 4.13Å; N39-F67 HydrophobicContact CB-CE2 4.11Å; N39-F67 HydrophobicContact CB-CZ 3.86Å; W65-F67 AromaticContact CD1-CD2 3.76Å; W65-F67 AromaticContact CD1-CE1 3.89Å; W65-F67 AromaticContact CD1-CE2 3.25Å; W65-F67 AromaticContact CD1-CZ 3.32Å; W65-F67 AromaticContact CG-CE2 3.97Å; W65-F67 HydrophobicContact CG-CE2 3.97Å; W65-F67 HydrophobicContact CG-CZ 4.14Å; W65-F67 AromaticContact NE1-CE1 3.54Å; W65-F67 AromaticContact NE1-CE2 3.77Å; W65-F67 AromaticContact NE1-CZ 3.3Å; W65-F67 VanDerWaalsContact NE1-CZ 3.3Å
68I82.9Confident71.2Confident15 Ų1580.7 Ų80.78%0.07745%0.446CS..PPolyproline II helixtrans-72136.8177.6-61.8154.7000108.7S29 N31 A72 M75 W79S29-I68 PolarHBondContact O-N 2.99Å; N31-I68 PolarHBondContact ND2-O 3.45Å; I68-A72 WeakPolarHBondContact CG2-O 3.42Å; I68-M75 HydrophobicContact CG2-CB 3.86Å; I68-M75 HydrophobicContact CG2-SD 4.28Å; I68-W79 HydrophobicContact CD1-CH2 3.33Å; I68-W79 HydrophobicContact CD1-CZ2 3.14Å; I68-W79 HydrophobicContact CG1-CH2 4.26Å; I68-W79 HydrophobicContact CG1-CZ2 4.44Å
69P79.2Confident73.1Confident67 Ų6780.8 Ų80.844%0.43544%0.438SS..PPolyproline II helixtrans-55.3133.5174.6-2432.9000110.4I71 A72 M75P69-I71 PolarHBondContact O-N 3.29Å; P69-A72 HydrophobicContact CB-CB 3.98Å; P69-A72 HydrophobicContact CG-CB 4.24Å; P69-A72 PolarHBondContact O-N 3.11Å; P69-M75 HydrophobicContact CG-SD 4.45Å
70P74.2Confident74.9Confident114 Ų11479.7 Ų79.774%0.7442%0.421SS*.THydrogen-bonded Turntrans-53.2-25.4-179.4-26.832.3000114.6
71I63.4Low76.4Confident163 Ų16379.5 Ų79.584%0.83642%0.424SS*.THydrogen-bonded Turntrans-96.81.4-174.6-45.4174.4000111.4P69 P73P69-I71 PolarHBondContact O-N 3.29Å; I71-P73 VanDerWaalsContact O-CD 3.25Å; I71-P73 WeakPolarHBondContact O-CD 3.15Å
72A62.9Low78.1Confident12 Ų1271.3 Ų71.310%0.09940%0.396CS..  trans-118.954.8-176.800000113.6I68 P69 H74 M75I68-A72 WeakPolarHBondContact CG2-O 3.42Å; P69-A72 HydrophobicContact CB-CB 3.98Å; P69-A72 HydrophobicContact CG-CB 4.24Å; P69-A72 PolarHBondContact O-N 3.11Å; A72-H74 PolarHBondContact O-N 3.28Å; A72-M75 HydrophobicContact CB-CG 4.16Å; A72-M75 HydrophobicContact CB-SD 4.14Å; A72-M75 WeakPolarHBondContact O-CB 3.44Å; A72-M75 PolarHBondContact O-N 3.37Å
73P65.1Low79.2Confident85 Ų8566.4 Ų66.455%0.55239%0.385SS*.G310 helixtrans-60.4-23.2-178.226.1-34.8000113.2I71 M75 G76 G77I71-P73 VanDerWaalsContact O-CD 3.25Å; I71-P73 WeakPolarHBondContact O-CD 3.15Å; P73-M75 PolarHBondContact O-N 2.93Å; P73-G76 PolarHBondContact O-N 3.48Å; P73-G77 PolarHBondContact O-N 2.84Å
74H68.4Low80Confident143 Ų14372.4 Ų72.466%0.66241%0.405SS*.G310 helixtrans-60.8-27.4176.667.4-88.7000113.2A72 G76 G77A72-H74 PolarHBondContact O-N 3.28Å; H74-G76 PolarHBondContact O-N 3.49Å; H74-G77 PolarHBondContact O-N 3.41Å; H74-G77 VanDerWaalsContact O-N 3.13Å
75M67.7Low80.3Confident102 Ų10270.4 Ų70.450%0.50239%0.388SS..G310 helixtrans-61.2-29.5175.3-70.3-172.1159.500111.5I68 P69 A72 P73 W79I68-M75 HydrophobicContact CG2-CB 3.86Å; I68-M75 HydrophobicContact CG2-SD 4.28Å; P69-M75 HydrophobicContact CG-SD 4.45Å; A72-M75 HydrophobicContact CB-CG 4.16Å; A72-M75 HydrophobicContact CB-SD 4.14Å; A72-M75 WeakPolarHBondContact O-CB 3.44Å; A72-M75 PolarHBondContact O-N 3.37Å; P73-M75 PolarHBondContact O-N 2.93Å; M75-W79 WeakPolarHBondContact O-CH2 3.37Å; M75-W79 WeakPolarHBondContact O-CZ3 3.41Å
76G73.9Confident80.6Confident1 Ų170 Ų701%0.0139%0.389CS..G310 helixtrans-95.9-2.3175.800000117.4P73 H74 A78 W79 E80P73-G76 PolarHBondContact O-N 3.48Å; H74-G76 PolarHBondContact O-N 3.49Å; G76-A78 PolarHBondContact O-N 3.38Å; G76-A78 VanDerWaalsContact O-N 3.09Å; G76-W79 PolarHBondContact O-N 2.71Å; G76-E80 VanDerWaalsContact O-CB 3.29Å; G76-E80 WeakPolarHBondContact O-CB 3.43Å; G76-E80 VanDerWaalsContact O-CG 3.26Å; G76-E80 WeakPolarHBondContact O-CG 3.42Å; G76-E80 PolarHBondContact O-N 3.36Å
77G78.5Confident80.8Confident28 Ų2873.8 Ų73.829%0.28940%0.403SS..Hα-helixtrans-55.8-37.1-171.400000113.8P73 H74 A81P73-G77 PolarHBondContact O-N 2.84Å; H74-G77 PolarHBondContact O-N 3.41Å; H74-G77 VanDerWaalsContact O-N 3.13Å; G77-A81 WeakPolarHBondContact O-CB 3.18Å; G77-A81 PolarHBondContact O-N 3.11Å
78A79.1Confident81.1Confident82 Ų8277.7 Ų77.768%0.67842%0.416SS*.Hα-helixtrans-66.8-52.3-177.800000112.9G76 L82G76-A78 PolarHBondContact O-N 3.38Å; G76-A78 VanDerWaalsContact O-N 3.09Å; A78-L82 PolarHBondContact O-N 2.81Å; A78-L82 VanDerWaalsContact O-N 3.11Å
79W84.1Confident81.6Confident113 Ų11377 Ų7743%0.42841%0.412SS..Hα-helixtrans-74.7-28.4178.867.578.3000112I68 M75 G76 T83I68-W79 HydrophobicContact CD1-CH2 3.33Å; I68-W79 HydrophobicContact CD1-CZ2 3.14Å; I68-W79 HydrophobicContact CG1-CH2 4.26Å; I68-W79 HydrophobicContact CG1-CZ2 4.44Å; M75-W79 WeakPolarHBondContact O-CH2 3.37Å; M75-W79 WeakPolarHBondContact O-CZ3 3.41Å; G76-W79 PolarHBondContact O-N 2.71Å; W79-T83 WeakPolarHBondContact O-CB 3.4Å; W79-T83 PolarHBondContact O-N 2.92Å; W79-T83 PolarHBondContact O-OG1 3.27Å
80E86.6Confident82.4Confident93 Ų9375.3 Ų75.344%0.43540%0.4SS..Hα-helixtrans-65.5-45.9173.1-76.2179.6-174.500111.2G76 L82 T83 K84G76-E80 VanDerWaalsContact O-CB 3.29Å; G76-E80 WeakPolarHBondContact O-CB 3.43Å; G76-E80 VanDerWaalsContact O-CG 3.26Å; G76-E80 WeakPolarHBondContact O-CG 3.42Å; G76-E80 PolarHBondContact O-N 3.36Å; E80-L82 PolarHBondContact O-N 3.21Å; E80-T83 PolarHBondContact O-N 3.06Å; E80-K84 WeakPolarHBondContact O-CB 3.38Å; E80-K84 PolarHBondContact O-N 3.38Å
81A86.7Confident83.4Confident50 Ų5074.3 Ų74.341%0.41339%0.391SS..Hα-helixtrans-61-45.4176.400000111.2G77 K84 S85G77-A81 WeakPolarHBondContact O-CB 3.18Å; G77-A81 PolarHBondContact O-N 3.11Å; A81-K84 PolarHBondContact O-N 3.23Å; A81-S85 PolarHBondContact O-N 3.41Å
82L90.5Very high84.8Confident37 Ų3769.9 Ų69.919%0.19437%0.372CS..Hα-helixtrans-60-51.7175.1-177.161.7000110.7A78 E80 K84 S85 V86 V115 W176 Y180A78-L82 PolarHBondContact O-N 2.81Å; A78-L82 VanDerWaalsContact O-N 3.11Å; E80-L82 PolarHBondContact O-N 3.21Å; L82-K84 VanDerWaalsContact C-N 3.29Å; L82-K84 PolarHBondContact O-N 3.06Å; L82-S85 PolarHBondContact O-N 2.84Å; L82-S85 VanDerWaalsContact O-N 3.16Å; L82-S85 PolarHBondContact O-OG 2.89Å; L82-V86 HydrophobicContact CD1-CG2 4.5Å; L82-V86 WeakPolarHBondContact O-CG2 3.38Å; L82-V86 PolarHBondContact O-N 2.99Å; L82-V115 HydrophobicContact CD1-CG1 4.23Å; L82-V115 HydrophobicContact CD2-CG1 4.31Å; L82-W176 HydrophobicContact CD1-CZ2 4.04Å; L82-Y180 HydrophobicContact CD1-CD2 4.22Å; L82-Y180 HydrophobicContact CD1-CE2 3.9Å
83T91Very high86.3Confident62 Ų6269.8 Ų69.838%0.3837%0.37SS..Hα-helixtrans-58-41.5179.2-610000111.5W79 E80 V86 K87W79-T83 WeakPolarHBondContact O-CB 3.4Å; W79-T83 PolarHBondContact O-N 2.92Å; W79-T83 PolarHBondContact O-OG1 3.27Å; E80-T83 PolarHBondContact O-N 3.06Å; T83-V86 PolarHBondContact O-N 3.16Å; T83-K87 HydrophobicContact CG2-CD 3.98Å; T83-K87 HydrophobicContact CG2-CG 4.29Å; T83-K87 WeakPolarHBondContact O-CB 3.24Å; T83-K87 WeakPolarHBondContact O-CG 3.39Å; T83-K87 PolarHBondContact O-N 3.42Å
84K92Very high87.6Confident159 Ų15967.6 Ų67.669%0.69135%0.353SS*.Hα-helixtrans-62.7-45.5177.3-176176.3-178.6175.80111.6E80 A81 L82 V86 K87 R88E80-K84 WeakPolarHBondContact O-CB 3.38Å; E80-K84 PolarHBondContact O-N 3.38Å; A81-K84 PolarHBondContact O-N 3.23Å; L82-K84 VanDerWaalsContact C-N 3.29Å; L82-K84 PolarHBondContact O-N 3.06Å; K84-V86 VanDerWaalsContact C-N 3.35Å; K84-V86 PolarHBondContact O-N 3.26Å; K84-K87 PolarHBondContact O-N 2.94Å; K84-R88 WeakPolarHBondContact O-CB 3.27Å; K84-R88 PolarHBondContact O-N 3.48Å
85S92.6Very high88.7Confident8 Ų867.9 Ų67.96%0.05636%0.355CS..Hα-helixtrans-61.3-43.1176.974.70000112A81 L82 A89 W176A81-S85 PolarHBondContact O-N 3.41Å; L82-S85 PolarHBondContact O-N 2.84Å; L82-S85 VanDerWaalsContact O-N 3.16Å; L82-S85 PolarHBondContact O-OG 2.89Å; S85-A89 PolarHBondContact O-N 3.37Å; S85-A89 VanDerWaalsContact O-N 3.11Å; S85-W176 PolarHBondContact OG-NE1 3.46Å
86V94.9Very high89.7Confident24 Ų2467.1 Ų67.115%0.14537%0.374CS..Hα-helixtrans-65.4-49.1178.3173.30000110.5L82 T83 K84 R88 A89 L90 V111 V115 F172L82-V86 HydrophobicContact CD1-CG2 4.5Å; L82-V86 WeakPolarHBondContact O-CG2 3.38Å; L82-V86 PolarHBondContact O-N 2.99Å; T83-V86 PolarHBondContact O-N 3.16Å; K84-V86 VanDerWaalsContact C-N 3.35Å; K84-V86 PolarHBondContact O-N 3.26Å; V86-R88 PolarHBondContact O-N 3.44Å; V86-A89 PolarHBondContact O-N 2.88Å; V86-L90 HydrophobicContact CG1-CD1 3.91Å; V86-L90 HydrophobicContact CG1-CG 4.38Å; V86-L90 WeakPolarHBondContact O-CG 3.39Å; V86-L90 PolarHBondContact O-N 3.32Å; V86-V111 HydrophobicContact CG1-CG1 4.13Å; V86-V115 HydrophobicContact CG2-CG1 4.42Å; V86-V115 HydrophobicContact CG2-CG2 3.76Å; V86-F172 HydrophobicContact CG1-CE2 4.16Å; V86-F172 HydrophobicContact CG1-CZ 4.15Å; V86-F172 HydrophobicContact CG2-CZ 4.5Å
87K94.2Very high90.5Very high134 Ų13471.8 Ų71.858%0.58339%0.391SS*.Hα-helixtrans-57.6-46.8177.7-78.2179.8178179.10111.4T83 K84 A89 L90 T91T83-K87 HydrophobicContact CG2-CD 3.98Å; T83-K87 HydrophobicContact CG2-CG 4.29Å; T83-K87 WeakPolarHBondContact O-CB 3.24Å; T83-K87 WeakPolarHBondContact O-CG 3.39Å; T83-K87 PolarHBondContact O-N 3.42Å; K84-K87 PolarHBondContact O-N 2.94Å; K87-A89 VanDerWaalsContact C-N 3.32Å; K87-A89 PolarHBondContact O-N 2.78Å; K87-L90 PolarHBondContact O-N 3.44Å; K87-T91 PolarHBondContact O-N 2.86Å; K87-T91 PolarHBondContact O-OG1 2.69Å
88R94.4Very high91Very high139 Ų13978.3 Ų78.353%0.52542%0.417SS..Hα-helixtrans-60.1-42.2178.9-172.1169-174.8-161.48.4112.1K84 V86 V92 E179K84-R88 WeakPolarHBondContact O-CB 3.27Å; K84-R88 PolarHBondContact O-N 3.48Å; V86-R88 PolarHBondContact O-N 3.44Å; R88-V92 WeakPolarHBondContact O-CG2 3.42Å; R88-V92 PolarHBondContact O-N 2.83Å; R88-E179 VanDerWaalsContact CD-CD 3.46Å; R88-E179 VanDerWaalsContact CD-OE1 3.24Å; R88-E179 WeakPolarHBondContact CD-OE1 3.26Å; R88-E179 WeakPolarHBondContact CD-OE2 3.39Å; R88-E179 IonicContact CZ-OE1 3.23Å; R88-E179 VanDerWaalsContact CZ-OE1 3.23Å; R88-E179 IonicContact CZ-OE2 3.41Å; R88-E179 IonicContact NE-OE1 3.06Å; R88-E179 PolarHBondContact NE-OE1 2.9Å; R88-E179 IonicContact NE-OE2 3.62Å; R88-E179 IonicContact NH1-OE1 3.36Å; R88-E179 PolarHBondContact NH1-OE1 3.49Å; R88-E179 IonicContact NH1-OE2 2.71Å; R88-E179 PolarHBondContact NH1-OE2 3.11Å
89A95.1Very high91.5Very high0 Ų076.4 Ų76.40%040%0.395CS..Hα-helixtrans-66.4-43.617600000112.2S85 V86 K87 V92 V93 F172 R175 W176S85-A89 PolarHBondContact O-N 3.37Å; S85-A89 VanDerWaalsContact O-N 3.11Å; V86-A89 PolarHBondContact O-N 2.88Å; K87-A89 VanDerWaalsContact C-N 3.32Å; K87-A89 PolarHBondContact O-N 2.78Å; A89-V92 PolarHBondContact O-N 2.7Å; A89-V93 WeakPolarHBondContact O-CB 3.31Å; A89-V93 WeakPolarHBondContact O-CG2 3.15Å; A89-V93 PolarHBondContact O-N 3.3Å; A89-F172 HydrophobicContact CB-CD2 3.81Å; A89-F172 HydrophobicContact CB-CE2 3.61Å; A89-F172 HydrophobicContact CB-CZ 4.45Å; A89-R175 HydrophobicContact CB-CB 4.29Å; A89-R175 HydrophobicContact CB-CG 3.89Å; A89-W176 HydrophobicContact CB-CB 3.69Å; A89-W176 HydrophobicContact CB-CG 4.33Å
90L95.1Very high91.9Very high33 Ų3374.2 Ų74.217%0.17340%0.395CS..Hα-helixtrans-61.8-46.6175.8-74.3173.6000112.2V86 K87 V92 V93 L94 L108 V111 F172V86-L90 HydrophobicContact CG1-CD1 3.91Å; V86-L90 HydrophobicContact CG1-CG 4.38Å; V86-L90 WeakPolarHBondContact O-CG 3.39Å; V86-L90 PolarHBondContact O-N 3.32Å; K87-L90 PolarHBondContact O-N 3.44Å; L90-V92 VanDerWaalsContact C-N 3.33Å; L90-V92 PolarHBondContact O-N 2.93Å; L90-V93 PolarHBondContact O-N 3.09Å; L90-V93 VanDerWaalsContact O-N 3.15Å; L90-L94 HydrophobicContact CB-CD1 4.5Å; L90-L94 HydrophobicContact CD2-CD1 4.33Å; L90-L94 WeakPolarHBondContact O-CB 3.18Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.36Å; L90-L94 PolarHBondContact O-N 3.3Å; L90-L108 HydrophobicContact CD1-CD2 4.11Å; L90-L108 HydrophobicContact CD2-CD2 4.34Å; L90-V111 HydrophobicContact CD2-CG1 4.45Å; L90-V111 HydrophobicContact CD2-CG2 3.86Å; L90-F172 HydrophobicContact CD2-CD2 3.78Å; L90-F172 HydrophobicContact CD2-CE2 4.07Å; L90-F172 HydrophobicContact CG-CD2 4.03Å; L90-F172 HydrophobicContact CG-CE2 3.89Å
91T94.4Very high92.1Very high92 Ų9274.6 Ų74.656%0.56440%0.4SS*.Hα-helixtrans-54.8-50.7179-60.80000110.5K87 V93 L94 Q95K87-T91 PolarHBondContact O-N 2.86Å; K87-T91 PolarHBondContact O-OG1 2.69Å; T91-V93 VanDerWaalsContact C-N 3.34Å; T91-V93 PolarHBondContact O-N 3.31Å; T91-L94 PolarHBondContact O-N 2.91Å; T91-Q95 WeakPolarHBondContact O-CB 3.38Å; T91-Q95 PolarHBondContact O-N 3.08Å
92V94.2Very high92.3Very high71 Ų7177.2 Ų77.243%0.4340%0.403SS..Hα-helixtrans-62.9-40.5179.3173.30000112R88 A89 L90 R175R88-V92 WeakPolarHBondContact O-CG2 3.42Å; R88-V92 PolarHBondContact O-N 2.83Å; A89-V92 PolarHBondContact O-N 2.7Å; L90-V92 VanDerWaalsContact C-N 3.33Å; L90-V92 PolarHBondContact O-N 2.93Å; V92-R175 HydrophobicContact CB-CG 4.35Å; V92-R175 HydrophobicContact CG1-CG 4.41Å
93V93.1Very high92.3Very high9 Ų976.2 Ų76.26%0.05540%0.398CS..Hα-helixtrans-73.6-36.1-176.2170.80000112.3A89 L90 T91 R97 L168 Q171 F172 R175A89-V93 WeakPolarHBondContact O-CB 3.31Å; A89-V93 WeakPolarHBondContact O-CG2 3.15Å; A89-V93 PolarHBondContact O-N 3.3Å; L90-V93 PolarHBondContact O-N 3.09Å; L90-V93 VanDerWaalsContact O-N 3.15Å; T91-V93 VanDerWaalsContact C-N 3.34Å; T91-V93 PolarHBondContact O-N 3.31Å; V93-R97 WeakPolarHBondContact O-CD 3.21Å; V93-R97 PolarHBondContact O-NE 3.15Å; V93-L168 HydrophobicContact CG1-CB 4.46Å; V93-L168 HydrophobicContact CG1-CD2 4.04Å; V93-Q171 HydrophobicContact CG1-CB 3.91Å; V93-Q171 HydrophobicContact CG2-CB 3.95Å; V93-F172 HydrophobicContact CG2-CB 4.47Å; V93-R175 HydrophobicContact CG2-CB 4.32Å
94L92.6Very high92.4Very high40 Ų4075.3 Ų75.321%0.20939%0.391CS..Hα-helixtrans-93.7-14.2-175.7-53.6-178.1000113.2L90 T91 G96 R97 L99 L104 L168L90-L94 HydrophobicContact CB-CD1 4.5Å; L90-L94 HydrophobicContact CD2-CD1 4.33Å; L90-L94 WeakPolarHBondContact O-CB 3.18Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.36Å; L90-L94 PolarHBondContact O-N 3.3Å; T91-L94 PolarHBondContact O-N 2.91Å; L94-G96 PolarHBondContact O-N 2.88Å; L94-R97 WeakPolarHBondContact O-CB 2.96Å; L94-R97 PolarHBondContact O-N 3.12Å; L94-R97 VanDerWaalsContact O-N 3.11Å; L94-L99 HydrophobicContact CB-CD1 4.37Å; L94-L99 HydrophobicContact CD1-CD1 4.34Å; L94-L99 HydrophobicContact CD2-CD1 3.73Å; L94-L99 HydrophobicContact CG-CD1 4.34Å; L94-L104 HydrophobicContact CD1-CD1 4.17Å; L94-L168 HydrophobicContact CD2-CD1 4.3Å; L94-L168 HydrophobicContact CD2-CD2 4.28Å
95Q91.8Very high92.4Very high148 Ų14870.8 Ų70.869%0.69238%0.377SS*.THydrogen-bonded Turntrans-54.9128.9-179.1-175.3169.517.500112T91 R97T91-Q95 WeakPolarHBondContact O-CB 3.38Å; T91-Q95 PolarHBondContact O-N 3.08Å; Q95-R97 PolarHBondContact O-N 3.38Å
96G89.2Confident92.4Very high87 Ų8772.5 Ų72.590%0.89739%0.387SS*.THydrogen-bonded Turntrans735.6178.400000115.1L94L94-G96 PolarHBondContact O-N 2.88Å
97R90.8Very high92.2Very high99 Ų9971.7 Ų71.737%0.37438%0.382SS..  trans-99.2136.7-179.3-59.3-177.3-176-81-7.1111.2V93 L94 Q95 L99 Y164V93-R97 WeakPolarHBondContact O-CD 3.21Å; V93-R97 PolarHBondContact O-NE 3.15Å; L94-R97 WeakPolarHBondContact O-CB 2.96Å; L94-R97 PolarHBondContact O-N 3.12Å; L94-R97 VanDerWaalsContact O-N 3.11Å; Q95-R97 PolarHBondContact O-N 3.38Å; R97-L99 HydrophobicContact CB-CD2 4.23Å; R97-L99 HydrophobicContact CB-CG 4.4Å; R97-Y164 WeakPolarHBondContact CD-OH 3.3Å
98I88.7Confident92.1Very high164 Ų16468.1 Ų68.184%0.84137%0.369SS*.  trans-87.6122.7168.8-56.2174000107.7
99L89.7Confident92Very high42 Ų4265.3 Ų65.322%0.2237%0.367CS..  trans-124.6138.5-177.7-55172.5000108.8L94 R97 I103 L104 Y164 L168L94-L99 HydrophobicContact CB-CD1 4.37Å; L94-L99 HydrophobicContact CD1-CD1 4.34Å; L94-L99 HydrophobicContact CD2-CD1 3.73Å; L94-L99 HydrophobicContact CG-CD1 4.34Å; R97-L99 HydrophobicContact CB-CD2 4.23Å; R97-L99 HydrophobicContact CB-CG 4.4Å; L99-I103 HydrophobicContact CD2-CG2 3.92Å; L99-L104 HydrophobicContact CD1-CD1 4.18Å; L99-Y164 HydrophobicContact CD2-CE1 3.63Å; L99-L168 HydrophobicContact CD2-CD1 3.76Å
100T91.8Very high91.8Very high68 Ų6866.6 Ų66.642%0.41737%0.373SS..  trans-82159.2164.165.40000109.6E102 I103 L104T100-E102 PolarHBondContact O-N 3.44Å; T100-I103 HydrophobicContact CG2-CD1 4.42Å; T100-I103 PolarHBondContact O-N 3.32Å; T100-I103 WeakPolarHBondContact OG1-CD1 3.16Å; T100-I103 WeakPolarHBondContact OG1-CG1 3.47Å; T100-I103 PolarHBondContact OG1-N 3.42Å; T100-L104 PolarHBondContact O-N 2.69Å
101D91.3Very high91.7Very high101 Ų10165.5 Ų65.554%0.5437%0.368SS..Hα-helixtrans-54.8-41.7176.9-66.2-13000112.1I103 L104 V105D101-I103 PolarHBondContact O-N 3.05Å; D101-L104 PolarHBondContact O-N 3.32Å; D101-V105 WeakPolarHBondContact O-CB 3.4Å; D101-V105 VanDerWaalsContact O-CG2 3.26Å; D101-V105 WeakPolarHBondContact O-CG2 3.21Å; D101-V105 PolarHBondContact O-N 2.77Å
102E91Very high91.6Very high104 Ų10465.1 Ų65.149%0.48636%0.36SS..Hα-helixtrans-59.9-43.3177.1-171.6-170.5175.400112.3T100 T106 R161T100-E102 PolarHBondContact O-N 3.44Å; E102-T106 WeakPolarHBondContact O-CB 3.15Å; E102-T106 PolarHBondContact O-N 2.61Å; E102-T106 VanDerWaalsContact O-N 3.11Å; E102-T106 PolarHBondContact O-OG1 2.74Å; E102-R161 VanDerWaalsContact OE2-CD 3.3Å; E102-R161 WeakPolarHBondContact OE2-CD 3.31Å; E102-R161 IonicContact OE2-CZ 3.5Å; E102-R161 IonicContact OE2-NE 3.72Å; E102-R161 IonicContact OE2-NH1 2.69Å; E102-R161 PolarHBondContact OE2-NH1 3.47Å
103I91.6Very high91.4Very high16 Ų1663.5 Ų63.58%0.08235%0.351CS..Hα-helixtrans-68.1-44.6178.3-69.4164.4000109.7L99 T100 D101 T106 A107 R161 Y164 S165 L168L99-I103 HydrophobicContact CD2-CG2 3.92Å; T100-I103 HydrophobicContact CG2-CD1 4.42Å; T100-I103 PolarHBondContact O-N 3.32Å; T100-I103 WeakPolarHBondContact OG1-CD1 3.16Å; T100-I103 WeakPolarHBondContact OG1-CG1 3.47Å; T100-I103 PolarHBondContact OG1-N 3.42Å; D101-I103 PolarHBondContact O-N 3.05Å; I103-T106 PolarHBondContact O-N 3.15Å; I103-A107 VanDerWaalsContact O-CB 3.29Å; I103-A107 WeakPolarHBondContact O-CB 3.34Å; I103-A107 PolarHBondContact O-N 3.25Å; I103-R161 HydrophobicContact CD1-CG 4.39Å; I103-R161 HydrophobicContact CG1-CB 4.24Å; I103-R161 HydrophobicContact CG1-CG 4.46Å; I103-Y164 HydrophobicContact CD1-CD1 4.13Å; I103-Y164 HydrophobicContact CG2-CD1 3.81Å; I103-Y164 HydrophobicContact CG2-CE1 4.26Å; I103-S165 PolarHBondContact O-OG 3.15Å; I103-L168 HydrophobicContact CG2-CD1 3.97Å
104L92.3Very high91.3Very high44 Ų4463.5 Ų63.523%0.2335%0.351CS..Hα-helixtrans-62.8-49.8-178.917961.5000111.5M1 L94 L99 T100 D101 T106 A107 L108M1-L104 HydrophobicContact CE-CB 4.47Å; M1-L104 HydrophobicContact CE-CD2 3.66Å; M1-L104 HydrophobicContact CE-CG 3.71Å; L94-L104 HydrophobicContact CD1-CD1 4.17Å; L99-L104 HydrophobicContact CD1-CD1 4.18Å; T100-L104 PolarHBondContact O-N 2.69Å; D101-L104 PolarHBondContact O-N 3.32Å; L104-T106 VanDerWaalsContact C-N 3.34Å; L104-T106 PolarHBondContact O-N 3.45Å; L104-A107 PolarHBondContact O-N 3.42Å; L104-L108 HydrophobicContact CD1-CD1 4.19Å; L104-L108 HydrophobicContact CD1-CG 4.2Å; L104-L108 HydrophobicContact CG-CD1 4.14Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 2.87Å
105V92.3Very high91.3Very high64 Ų6462.3 Ų62.339%0.38835%0.345SS..Hα-helixtrans-57.3-48.9177.1169.90000110.1M1 D101 A107 L108 V109M1-V105 HydrophobicContact CE-CG2 3.6Å; M1-V105 HydrophobicContact SD-CG2 4.3Å; D101-V105 WeakPolarHBondContact O-CB 3.4Å; D101-V105 VanDerWaalsContact O-CG2 3.26Å; D101-V105 WeakPolarHBondContact O-CG2 3.21Å; D101-V105 PolarHBondContact O-N 2.77Å; V105-A107 VanDerWaalsContact C-N 3.35Å; V105-A107 PolarHBondContact O-N 2.72Å; V105-L108 PolarHBondContact O-N 3.39Å; V105-V109 WeakPolarHBondContact O-CG2 3.43Å; V105-V109 PolarHBondContact O-N 2.84Å
106T91.4Very high91.3Very high44 Ų4456.5 Ų56.527%0.2732%0.319SS..Hα-helixtrans-61.1-42.8179-54.40000112.1E102 I103 L104 V109 H110E102-T106 WeakPolarHBondContact O-CB 3.15Å; E102-T106 PolarHBondContact O-N 2.61Å; E102-T106 VanDerWaalsContact O-N 3.11Å; E102-T106 PolarHBondContact O-OG1 2.74Å; I103-T106 PolarHBondContact O-N 3.15Å; L104-T106 VanDerWaalsContact C-N 3.34Å; L104-T106 PolarHBondContact O-N 3.45Å; T106-V109 PolarHBondContact O-N 3.23Å; T106-H110 PolarHBondContact O-N 3.41Å
107A91.4Very high91.3Very high6 Ų653.1 Ų53.15%0.0528%0.284CS..Hα-helixtrans-64.1-40.6177.600000111.8I103 L104 V105 H110 V111 L168I103-A107 VanDerWaalsContact O-CB 3.29Å; I103-A107 WeakPolarHBondContact O-CB 3.34Å; I103-A107 PolarHBondContact O-N 3.25Å; L104-A107 PolarHBondContact O-N 3.42Å; V105-A107 VanDerWaalsContact C-N 3.35Å; V105-A107 PolarHBondContact O-N 2.72Å; A107-H110 WeakPolarHBondContact O-CB 3.3Å; A107-H110 PolarHBondContact O-N 3.11Å; A107-V111 WeakPolarHBondContact O-CG2 3.35Å; A107-V111 PolarHBondContact O-N 3.05Å; A107-L168 HydrophobicContact CB-CB 4.34Å; A107-L168 HydrophobicContact CB-CD1 4.14Å
108L93Very high91.2Very high59 Ų5950.2 Ų50.231%0.30927%0.273SS..Hα-helixtrans-66.5-37.4176.8-70.4175.7000112.4M1 L90 L104 V105 H110 V111 E112M1-L108 HydrophobicContact CE-CD1 3.58Å; L90-L108 HydrophobicContact CD1-CD2 4.11Å; L90-L108 HydrophobicContact CD2-CD2 4.34Å; L104-L108 HydrophobicContact CD1-CD1 4.19Å; L104-L108 HydrophobicContact CD1-CG 4.2Å; L104-L108 HydrophobicContact CG-CD1 4.14Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 2.87Å; V105-L108 PolarHBondContact O-N 3.39Å; L108-H110 VanDerWaalsContact C-N 3.34Å; L108-V111 WeakPolarHBondContact O-CB 3.46Å; L108-V111 PolarHBondContact O-N 3.02Å; L108-E112 PolarHBondContact O-N 3.21Å
109V91.8Very high91.2Very high81 Ų8142.8 Ų42.849%0.49124%0.236SC..Hα-helixtrans-64.5-39.8173.4172.60000111V105 T106 V111 E112 C113V105-V109 WeakPolarHBondContact O-CG2 3.43Å; V105-V109 PolarHBondContact O-N 2.84Å; T106-V109 PolarHBondContact O-N 3.23Å; V109-V111 VanDerWaalsContact C-N 3.33Å; V109-V111 PolarHBondContact O-N 3.38Å; V109-E112 PolarHBondContact O-N 2.69Å; V109-C113 WeakPolarHBondContact O-CB 3.46Å; V109-C113 PolarHBondContact O-N 2.92Å
110H90.2Very high91Very high26 Ų2644 Ų4412%0.1224%0.242CC..Hα-helixtrans-61.4-42.6171.9-73171.7000112T106 A107 L108 C113 I114 S165 A169T106-H110 PolarHBondContact O-N 3.41Å; A107-H110 WeakPolarHBondContact O-CB 3.3Å; A107-H110 PolarHBondContact O-N 3.11Å; L108-H110 VanDerWaalsContact C-N 3.34Å; H110-C113 PolarHBondContact O-N 2.96Å; H110-I114 WeakPolarHBondContact O-CD1 3.21Å; H110-I114 WeakPolarHBondContact O-CG1 3.49Å; H110-I114 PolarHBondContact O-N 3.29Å; H110-S165 PolarHBondContact ND1-O 3.41Å; H110-A169 HydrophobicContact CB-CB 3.48Å; H110-A169 VanDerWaalsContact CB-CB 3.48Å
111V92.8Very high90.6Very high10 Ų1043 Ų436%0.06124%0.236CC..Hα-helixtrans-61.8-45.7177.1167.60000111.1V86 L90 A107 L108 V109 C113 I114 V115 F172V86-V111 HydrophobicContact CG1-CG1 4.13Å; L90-V111 HydrophobicContact CD2-CG1 4.45Å; L90-V111 HydrophobicContact CD2-CG2 3.86Å; A107-V111 WeakPolarHBondContact O-CG2 3.35Å; A107-V111 PolarHBondContact O-N 3.05Å; L108-V111 WeakPolarHBondContact O-CB 3.46Å; L108-V111 PolarHBondContact O-N 3.02Å; V109-V111 VanDerWaalsContact C-N 3.33Å; V109-V111 PolarHBondContact O-N 3.38Å; V111-C113 VanDerWaalsContact C-N 3.33Å; V111-C113 PolarHBondContact O-N 2.98Å; V111-I114 WeakPolarHBondContact O-CB 3.5Å; V111-I114 PolarHBondContact O-N 3.06Å; V111-V115 HydrophobicContact CG1-CG2 4.3Å; V111-V115 VanDerWaalsContact O-CG2 3.32Å; V111-V115 WeakPolarHBondContact O-CG2 3.4Å; V111-V115 PolarHBondContact O-N 2.72Å; V111-F172 HydrophobicContact CB-CD1 4.35Å; V111-F172 HydrophobicContact CB-CE1 4.26Å; V111-F172 HydrophobicContact CB-CZ 4.42Å; V111-F172 HydrophobicContact CG1-CD1 4.24Å; V111-F172 HydrophobicContact CG1-CD2 4.33Å; V111-F172 HydrophobicContact CG1-CE1 3.72Å; V111-F172 HydrophobicContact CG1-CE2 3.8Å; V111-F172 HydrophobicContact CG1-CZ 3.48Å; V111-F172 VanDerWaalsContact CG1-CZ 3.48Å; V111-F172 HydrophobicContact CG2-CB 4.2Å; V111-F172 HydrophobicContact CG2-CD1 3.78Å; V111-F172 HydrophobicContact CG2-CD2 3.9Å; V111-F172 HydrophobicContact CG2-CE1 4.14Å; V111-F172 HydrophobicContact CG2-CE2 4.23Å; V111-F172 HydrophobicContact CG2-CG 3.66Å; V111-F172 HydrophobicContact CG2-CZ 4.36Å
112E92.3Very high89.9Confident85 Ų8539 Ų3940%0.39721%0.213SC..Hα-helixtrans-55.8-48.4174.7-179.5-175.9166.200111R21 L108 V109 I114 V115 N116R21-E112 IonicContact CZ-OE1 3.92Å; R21-E112 IonicContact NH2-OE1 2.81Å; R21-E112 PolarHBondContact NH2-OE1 3.37Å; L108-E112 PolarHBondContact O-N 3.21Å; V109-E112 PolarHBondContact O-N 2.69Å; E112-I114 VanDerWaalsContact C-N 3.33Å; E112-I114 PolarHBondContact O-N 3.41Å; E112-V115 PolarHBondContact O-N 3.31Å; E112-N116 WeakPolarHBondContact CG-ND2 3.35Å; E112-N116 VanDerWaalsContact O-CB 3.3Å; E112-N116 WeakPolarHBondContact O-CB 3.29Å; E112-N116 PolarHBondContact O-N 2.89Å; E112-N116 PolarHBondContact O-ND2 3.34Å
113C89.9Confident89Confident37 Ų3739.5 Ų39.525%0.2522%0.219CC..Hα-helixtrans-59.3-43.3178.2-177.10000112.1V109 H110 V111 G117 N136V109-C113 WeakPolarHBondContact O-CB 3.46Å; V109-C113 PolarHBondContact O-N 2.92Å; H110-C113 PolarHBondContact O-N 2.96Å; V111-C113 VanDerWaalsContact C-N 3.33Å; V111-C113 PolarHBondContact O-N 2.98Å; C113-G117 PolarHBondContact O-N 3.14Å; C113-N136 PolarHBondContact O-ND2 2.6Å
114I91.4Very high87.7Confident8 Ų841.3 Ų41.34%0.04123%0.233CC..Hα-helixtrans-62.6-49.8177.2-70.1161.6000111.3H110 V111 E112 N116 G117 A169 F172 W173 W176 R212H110-I114 WeakPolarHBondContact O-CD1 3.21Å; H110-I114 WeakPolarHBondContact O-CG1 3.49Å; H110-I114 PolarHBondContact O-N 3.29Å; V111-I114 WeakPolarHBondContact O-CB 3.5Å; V111-I114 PolarHBondContact O-N 3.06Å; E112-I114 VanDerWaalsContact C-N 3.33Å; E112-I114 PolarHBondContact O-N 3.41Å; I114-N116 VanDerWaalsContact C-N 3.32Å; I114-N116 PolarHBondContact O-N 3.14Å; I114-G117 PolarHBondContact O-N 2.9Å; I114-G117 VanDerWaalsContact O-N 3.15Å; I114-A169 HydrophobicContact CD1-CB 4.25Å; I114-F172 HydrophobicContact CB-CE1 4.43Å; I114-F172 HydrophobicContact CD1-CD1 3.91Å; I114-F172 HydrophobicContact CD1-CE1 4.49Å; I114-F172 HydrophobicContact CG2-CD1 4.32Å; I114-F172 HydrophobicContact CG2-CE1 4.01Å; I114-W173 HydrophobicContact CG2-CE3 3.46Å; I114-W173 VanDerWaalsContact CG2-CE3 3.46Å; I114-W173 HydrophobicContact CG2-CZ3 3.92Å; I114-W176 HydrophobicContact CG2-CE3 3.83Å; I114-W176 HydrophobicContact CG2-CZ3 3.81Å; I114-R212 HydrophobicContact CD1-CG 3.97Å; I114-R212 HydrophobicContact CG1-CG 4.03Å
115V92.6Very high86.2Confident15 Ų1544.3 Ų44.39%0.09126%0.258CS..Hα-helixtrans-66.7-37.3-177.1173.20000111L82 V86 V111 E112 G117 R118 F172 W176L82-V115 HydrophobicContact CD1-CG1 4.23Å; L82-V115 HydrophobicContact CD2-CG1 4.31Å; V86-V115 HydrophobicContact CG2-CG1 4.42Å; V86-V115 HydrophobicContact CG2-CG2 3.76Å; V111-V115 HydrophobicContact CG1-CG2 4.3Å; V111-V115 VanDerWaalsContact O-CG2 3.32Å; V111-V115 WeakPolarHBondContact O-CG2 3.4Å; V111-V115 PolarHBondContact O-N 2.72Å; E112-V115 PolarHBondContact O-N 3.31Å; V115-G117 VanDerWaalsContact C-N 3.29Å; V115-R118 WeakPolarHBondContact O-CB 3.32Å; V115-R118 VanDerWaalsContact O-CD 3.31Å; V115-R118 WeakPolarHBondContact O-CD 3.44Å; V115-R118 WeakPolarHBondContact O-CG 3.42Å; V115-R118 PolarHBondContact O-N 2.94Å; V115-R118 PolarHBondContact O-NH1 3.47Å; V115-F172 HydrophobicContact CG2-CE1 4.17Å; V115-F172 HydrophobicContact CG2-CZ 4.08Å; V115-W176 HydrophobicContact CB-CH2 4.29Å; V115-W176 HydrophobicContact CB-CZ2 4.45Å; V115-W176 HydrophobicContact CG1-CH2 4.41Å; V115-W176 HydrophobicContact CG1-CZ2 4.28Å; V115-W176 HydrophobicContact CG2-CD2 4.47Å; V115-W176 HydrophobicContact CG2-CH2 4.05Å; V115-W176 HydrophobicContact CG2-CZ2 3.95Å; V115-W176 HydrophobicContact CG2-CZ3 4.34Å
116N91.2Very high84.6Confident26 Ų2642.8 Ų42.814%0.13926%0.255CS..Hα-helixtrans-79.9-11176-68.5-24.3000113.4E112 I114 R118 P135 N136E112-N116 WeakPolarHBondContact CG-ND2 3.35Å; E112-N116 VanDerWaalsContact O-CB 3.3Å; E112-N116 WeakPolarHBondContact O-CB 3.29Å; E112-N116 PolarHBondContact O-N 2.89Å; E112-N116 PolarHBondContact O-ND2 3.34Å; I114-N116 VanDerWaalsContact C-N 3.32Å; I114-N116 PolarHBondContact O-N 3.14Å; N116-R118 VanDerWaalsContact C-N 3.29Å; N116-P135 HydrophobicContact CB-CB 4.09Å; N116-P135 WeakPolarHBondContact O-CD 3.47Å; N116-N136 VanDerWaalsContact C-ND2 3.28Å; N116-N136 WeakPolarHBondContact CB-OD1 3.38Å; N116-N136 WeakPolarHBondContact O-CB 3.49Å; N116-N136 VanDerWaalsContact O-CG 3.31Å; N116-N136 PolarHBondContact O-N 3.3Å; N116-N136 PolarHBondContact O-ND2 3.38Å
117G89.1Confident82.8Confident17 Ų1743.9 Ų43.918%0.17526%0.261CS..THydrogen-bonded Turntrans-85.94.7170.600000113.8C113 I114 V115 N136 W215C113-G117 PolarHBondContact O-N 3.14Å; I114-G117 PolarHBondContact O-N 2.9Å; I114-G117 VanDerWaalsContact O-N 3.15Å; V115-G117 VanDerWaalsContact C-N 3.29Å; G117-N136 PolarHBondContact N-ND2 3.11Å; G117-W215 PolarHBondContact O-NE1 3.16Å
118R89.3Confident81.3Confident38 Ų3851 Ų5114%0.14330%0.299CS..SBendtrans-71.7142.6179.178.8-172.2-176.5-84.3-4.2112.3V115 N116 T134 P135 W176 Y180 W215V115-R118 WeakPolarHBondContact O-CB 3.32Å; V115-R118 VanDerWaalsContact O-CD 3.31Å; V115-R118 WeakPolarHBondContact O-CD 3.44Å; V115-R118 WeakPolarHBondContact O-CG 3.42Å; V115-R118 PolarHBondContact O-N 2.94Å; V115-R118 PolarHBondContact O-NH1 3.47Å; N116-R118 VanDerWaalsContact C-N 3.29Å; R118-T134 WeakPolarHBondContact O-CA 3.43Å; R118-T134 WeakPolarHBondContact O-CB 3.39Å; R118-T134 WeakPolarHBondContact O-CG2 3.4Å; R118-P135 HydrophobicContact CG-CG 4.07Å; R118-P135 VanDerWaalsContact NH1-CG 3.3Å; R118-P135 WeakPolarHBondContact O-CD 3.37Å; R118-W176 HydrophobicContact CB-CH2 4.26Å; R118-Y180 WeakPolarHBondContact CD-OH 3.11Å; R118-W215 HydrophobicContact CB-CH2 4.02Å; R118-W215 HydrophobicContact CB-CZ2 3.49Å; R118-W215 VanDerWaalsContact CB-CZ2 3.49Å
119P88.4Confident79.8Confident7 Ų754 Ų545%0.04532%0.315CS..  trans-60.2134169.9-22.132.2000110.9P132 W215 L217 L253P119-P132 HydrophobicContact CB-CB 3.76Å; P119-P132 HydrophobicContact CB-CG 4.13Å; P119-P132 HydrophobicContact CG-CB 4.23Å; P119-P132 HydrophobicContact CG-CG 4.06Å; P119-W215 HydrophobicContact CG-CB 3.69Å; P119-W215 HydrophobicContact CG-CD2 3.84Å; P119-W215 HydrophobicContact CG-CE3 4.21Å; P119-W215 HydrophobicContact CG-CG 3.6Å; P119-L217 HydrophobicContact CG-CD2 4.34Å; P119-L253 HydrophobicContact CB-CD1 4.1Å; P119-L253 HydrophobicContact CB-CD2 4.09Å
120L86.7Confident78.4Confident68 Ų6851.6 Ų51.636%0.35630%0.301SS..  trans-99.6-50.5167.4-64178.5000110.4L133 P135 L138L120-L133 PolarHBondContact N-O 2.99Å; L120-P135 HydrophobicContact CD1-CG 4.22Å; L120-P135 HydrophobicContact CD2-CG 4.03Å; L120-P135 HydrophobicContact CG-CG 4.19Å; L120-L138 HydrophobicContact CD1-CD1 3.65Å
121T82.1Confident77.7Confident46 Ų4654.1 Ų54.128%0.28231%0.312SS..BIsolated β-bridgetrans-152.7172.3177.9-166.30000108.6P132 L133T121-P132 CarbonylContact O-C 3.58Å; T121-P132 WeakPolarHBondContact O-CA 3.21Å; T121-P132 WeakPolarHBondContact O-CB 3.36Å; T121-L133 HydrophobicContact CG2-CB 3.83Å; T121-L133 HydrophobicContact CG2-CD2 3.92Å; T121-L133 PolarHBondContact O-N 3.28Å
122Y76.7Confident77.3Confident18 Ų1854.1 Ų54.17%0.07131%0.313CS..  trans-94.2153173.3-171.3-124000110.7S124 G126 P130 I202 E254Y122-S124 WeakPolarHBondContact CE1-O 3.42Å; Y122-S124 PolarHBondContact OH-O 3.27Å; Y122-G126 PolarHBondContact OH-O 3.33Å; Y122-G126 VanDerWaalsContact OH-O 3.08Å; Y122-P130 HydrophobicContact CD2-CB 4.06Å; Y122-P130 HydrophobicContact CE2-CB 3.08Å; Y122-P130 VanDerWaalsContact CZ-CB 3.47Å; Y122-P130 WeakPolarHBondContact OH-CA 3.45Å; Y122-P130 VanDerWaalsContact OH-CB 3.25Å; Y122-P130 WeakPolarHBondContact OH-CB 3.35Å; Y122-I202 HydrophobicContact CD1-CB 4.48Å; Y122-I202 HydrophobicContact CD1-CD1 3.94Å; Y122-I202 HydrophobicContact CD1-CG1 3.67Å; Y122-I202 HydrophobicContact CD1-CG2 4.21Å; Y122-I202 HydrophobicContact CD2-CG2 4.41Å; Y122-I202 HydrophobicContact CE1-CD1 3.84Å; Y122-I202 HydrophobicContact CE1-CG1 4.12Å; Y122-I202 HydrophobicContact CG-CG1 4.27Å; Y122-I202 HydrophobicContact CG-CG2 4Å; Y122-E254 WeakPolarHBondContact CB-OE2 3.27Å
123L71.8Confident77Confident114 Ų11451.9 Ų51.960%0.59730%0.303SS*.  trans-122.8-16.8-174-74.3175.1000114.7L133L123-L133 HydrophobicContact CD1-CB 3.82Å; L123-L133 HydrophobicContact CD1-CD1 3.97Å; L123-L133 HydrophobicContact CD1-CG 4.46Å; L123-L133 HydrophobicContact CD2-CB 4.18Å; L123-L133 HydrophobicContact CG-CB 3.83Å
124S66.1Low77Confident54 Ų5450.2 Ų50.238%0.37829%0.292SS..  trans-128.5127.3-166.6-175.10000113.1Y122 G126Y122-S124 WeakPolarHBondContact CE1-O 3.42Å; Y122-S124 PolarHBondContact OH-O 3.27Å; S124-G126 PolarHBondContact O-N 3.2Å; S124-G126 VanDerWaalsContact O-N 3.13Å; S124-G126 PolarHBondContact OG-N 3.02Å
125S59.6Low77Confident108 Ų10850.4 Ų50.476%0.75529%0.294SS*.  trans-67-10.9170.948.90000114.1R219S125-R219 PolarHBondContact O-NH2 2.95Å
126G57.9Low76.8Confident32 Ų3249.9 Ų49.933%0.3329%0.291SS..  trans-68.4142.2-176.800000114.5Y122 S124Y122-G126 PolarHBondContact OH-O 3.33Å; Y122-G126 VanDerWaalsContact OH-O 3.08Å; S124-G126 PolarHBondContact O-N 3.2Å; S124-G126 VanDerWaalsContact O-N 3.13Å; S124-G126 PolarHBondContact OG-N 3.02Å
127V55.2Low76.7Confident67 Ų6750.1 Ų50.141%0.40629%0.291SS..SBendtrans-80.5-20.1-175.7-179.80000112.7
128D60Low76.7Confident156 Ų15655 Ų5583%0.83431%0.312SS*.SBendtrans-100-15.2-160.5-63.5-38.2000116.5
129D61.4Low76.6Confident122 Ų12257.4 Ų57.465%0.65233%0.327SS*.  trans-159.195.6165.2-168.37.1000110.8Q131D129-Q131 VanDerWaalsContact C-N 3.3Å; D129-Q131 PolarHBondContact O-N 3.43Å
130P62.7Low76.4Confident29 Ų2961.5 Ų61.519%0.18835%0.347CS..  trans-73.783.3-179.929.2-34.1000110.8Y122 P132 L217Y122-P130 HydrophobicContact CD2-CB 4.06Å; Y122-P130 HydrophobicContact CE2-CB 3.08Å; Y122-P130 VanDerWaalsContact CZ-CB 3.47Å; Y122-P130 WeakPolarHBondContact OH-CA 3.45Å; Y122-P130 VanDerWaalsContact OH-CB 3.25Å; Y122-P130 WeakPolarHBondContact OH-CB 3.35Å; P130-P132 WeakPolarHBondContact O-CD 3.44Å; P130-L217 HydrophobicContact CB-CB 4.33Å; P130-L217 HydrophobicContact CB-CD1 4.44Å; P130-L217 HydrophobicContact CG-CB 4.06Å; P130-L217 WeakPolarHBondContact O-CD1 3.45Å
131Q75.2Confident76.3Confident79 Ų7961.7 Ų61.737%0.36937%0.366SS..  trans-76.6113.6172.8-173.8171.7-4.400110D129 H137D129-Q131 VanDerWaalsContact C-N 3.3Å; D129-Q131 PolarHBondContact O-N 3.43Å; Q131-H137 PolarHBondContact NE2-NE2 3.38Å
132P83.5Confident76.3Confident10 Ų1067.5 Ų67.57%0.06538%0.382CS..  trans-75.2152.4178.531.1-33.2000111.1P119 T121 P130 T134 H137 L217P119-P132 HydrophobicContact CB-CB 3.76Å; P119-P132 HydrophobicContact CB-CG 4.13Å; P119-P132 HydrophobicContact CG-CB 4.23Å; P119-P132 HydrophobicContact CG-CG 4.06Å; T121-P132 CarbonylContact O-C 3.58Å; T121-P132 WeakPolarHBondContact O-CA 3.21Å; T121-P132 WeakPolarHBondContact O-CB 3.36Å; P130-P132 WeakPolarHBondContact O-CD 3.44Å; P132-T134 HydrophobicContact CG-CG2 4.05Å; P132-H137 PolarHBondContact O-CE1 3.43Å; P132-H137 PolarHBondContact O-ND1 3.23Å; P132-L217 HydrophobicContact CB-CD1 3.71Å; P132-L217 HydrophobicContact CG-CD1 3.67Å
133L86.5Confident76.2Confident38 Ų3867.9 Ų67.920%0.19939%0.388CS..BIsolated β-bridgetrans-64.9135.1158.6-171.766.9000108.4L120 T121 L123 H137 L138L120-L133 PolarHBondContact N-O 2.99Å; T121-L133 HydrophobicContact CG2-CB 3.83Å; T121-L133 HydrophobicContact CG2-CD2 3.92Å; T121-L133 PolarHBondContact O-N 3.28Å; L123-L133 HydrophobicContact CD1-CB 3.82Å; L123-L133 HydrophobicContact CD1-CD1 3.97Å; L123-L133 HydrophobicContact CD1-CG 4.46Å; L123-L133 HydrophobicContact CD2-CB 4.18Å; L123-L133 HydrophobicContact CG-CB 3.83Å; L133-H137 HydrophobicContact CD1-CB 3.68Å; L133-L138 HydrophobicContact CD1-CD2 4.23Å; L133-L138 HydrophobicContact CD2-CD2 4.3Å
134T89.9Confident76.2Confident3 Ų364.8 Ų64.82%0.01837%0.373CS..  trans-132.2160.5179.471.40000109.3R118 P132 N136 H137 L138R118-T134 WeakPolarHBondContact O-CA 3.43Å; R118-T134 WeakPolarHBondContact O-CB 3.39Å; R118-T134 WeakPolarHBondContact O-CG2 3.4Å; P132-T134 HydrophobicContact CG-CG2 4.05Å; T134-N136 PolarHBondContact O-N 2.73Å; T134-N136 VanDerWaalsContact O-N 3.17Å; T134-N136 PolarHBondContact OG1-N 3.48Å; T134-H137 PolarHBondContact N-ND1 2.99Å; T134-H137 VanDerWaalsContact O-CB 3.31Å; T134-H137 WeakPolarHBondContact O-CB 3.13Å; T134-H137 PolarHBondContact O-N 3.21Å; T134-H137 PolarHBondContact OG1-CE1 2.96Å; T134-H137 PolarHBondContact OG1-ND1 3.47Å; T134-L138 PolarHBondContact O-N 2.93Å
135P90.8Very high76.2Confident11 Ų1168.3 Ų68.37%0.07138%0.379CS..Hα-helixtrans-54.2-34.5173.7-22.628.8000113.2N116 R118 L120 H137 L138 L139N116-P135 HydrophobicContact CB-CB 4.09Å; N116-P135 WeakPolarHBondContact O-CD 3.47Å; R118-P135 HydrophobicContact CG-CG 4.07Å; R118-P135 VanDerWaalsContact NH1-CG 3.3Å; R118-P135 WeakPolarHBondContact O-CD 3.37Å; L120-P135 HydrophobicContact CD1-CG 4.22Å; L120-P135 HydrophobicContact CD2-CG 4.03Å; L120-P135 HydrophobicContact CG-CG 4.19Å; P135-H137 VanDerWaalsContact C-N 3.27Å; P135-H137 PolarHBondContact O-N 3.25Å; P135-L138 PolarHBondContact O-N 3.26Å; P135-L138 VanDerWaalsContact O-N 3.12Å; P135-L139 HydrophobicContact CB-CD1 4.45Å; P135-L139 WeakPolarHBondContact O-CB 3.37Å; P135-L139 VanDerWaalsContact O-CG 3.24Å; P135-L139 WeakPolarHBondContact O-CG 3.32Å; P135-L139 PolarHBondContact O-N 3.23Å
136N89.8Confident76.1Confident5 Ų565.4 Ų65.43%0.02736%0.358CS..Hα-helixtrans-60.6-36.3175.3-81.7-31.3000112.4C113 N116 G117 T134 L138 L139 M140 R142 V144C113-N136 PolarHBondContact O-ND2 2.6Å; N116-N136 VanDerWaalsContact C-ND2 3.28Å; N116-N136 WeakPolarHBondContact CB-OD1 3.38Å; N116-N136 WeakPolarHBondContact O-CB 3.49Å; N116-N136 VanDerWaalsContact O-CG 3.31Å; N116-N136 PolarHBondContact O-N 3.3Å; N116-N136 PolarHBondContact O-ND2 3.38Å; G117-N136 PolarHBondContact N-ND2 3.11Å; T134-N136 PolarHBondContact O-N 2.73Å; T134-N136 VanDerWaalsContact O-N 3.17Å; T134-N136 PolarHBondContact OG1-N 3.48Å; N136-L138 VanDerWaalsContact C-N 3.34Å; N136-L138 PolarHBondContact O-N 3.38Å; N136-L139 PolarHBondContact O-N 2.96Å; N136-M140 WeakPolarHBondContact O-CA 3.46Å; N136-M140 VanDerWaalsContact O-CB 3.3Å; N136-M140 WeakPolarHBondContact O-CB 3.38Å; N136-M140 PolarHBondContact O-N 2.81Å; N136-R142 CarbonylContact C-O 3.43Å; N136-V144 HydrophobicContact CB-CB 4.27Å; N136-V144 HydrophobicContact CB-CG2 4.03Å
137H88.9Confident76Confident30 Ų3069.4 Ų69.414%0.13938%0.376CS..Hα-helixtrans-61.9-43.3173.3-65.2101.6000111.6Q131 P132 L133 T134 P135 G141 S143Q131-H137 PolarHBondContact NE2-NE2 3.38Å; P132-H137 PolarHBondContact O-CE1 3.43Å; P132-H137 PolarHBondContact O-ND1 3.23Å; L133-H137 HydrophobicContact CD1-CB 3.68Å; T134-H137 PolarHBondContact N-ND1 2.99Å; T134-H137 VanDerWaalsContact O-CB 3.31Å; T134-H137 WeakPolarHBondContact O-CB 3.13Å; T134-H137 PolarHBondContact O-N 3.21Å; T134-H137 PolarHBondContact OG1-CE1 2.96Å; T134-H137 PolarHBondContact OG1-ND1 3.47Å; P135-H137 VanDerWaalsContact C-N 3.27Å; P135-H137 PolarHBondContact O-N 3.25Å; H137-G141 WeakPolarHBondContact O-CA 3.48Å; H137-G141 PolarHBondContact O-N 2.92Å; H137-S143 PolarHBondContact CD2-N 3.25Å; H137-S143 VanDerWaalsContact CD2-N 3.34Å; H137-S143 WeakPolarHBondContact NE2-CB 3.34Å; H137-S143 PolarHBondContact NE2-N 3.08Å
138L88.5Confident76Confident120 Ų12068.6 Ų68.663%0.62837%0.365SS*.Hα-helixtrans-71-36.8179.1-60.6178.4000112.7L120 L133 T134 P135 N136L120-L138 HydrophobicContact CD1-CD1 3.65Å; L133-L138 HydrophobicContact CD1-CD2 4.23Å; L133-L138 HydrophobicContact CD2-CD2 4.3Å; T134-L138 PolarHBondContact O-N 2.93Å; P135-L138 PolarHBondContact O-N 3.26Å; P135-L138 VanDerWaalsContact O-N 3.12Å; N136-L138 VanDerWaalsContact C-N 3.34Å; N136-L138 PolarHBondContact O-N 3.38Å
139L87.4Confident75.8Confident88 Ų8866 Ų6646%0.46134%0.344SS..Hα-helixtrans-83.7-30.3-175.7-68.4172000113.6P135 N136P135-L139 HydrophobicContact CB-CD1 4.45Å; P135-L139 WeakPolarHBondContact O-CB 3.37Å; P135-L139 VanDerWaalsContact O-CG 3.24Å; P135-L139 WeakPolarHBondContact O-CG 3.32Å; P135-L139 PolarHBondContact O-N 3.23Å; N136-L139 PolarHBondContact O-N 2.96Å
140M85Confident75.3Confident94 Ų9471.3 Ų71.346%0.46336%0.355SS..Hα-helixtrans-124.5-5.2-171.5-57.3-68.8-8200113.4R21 N136 R142 V144R21-M140 PolarHBondContact NH1-SD 3.47Å; N136-M140 WeakPolarHBondContact O-CA 3.46Å; N136-M140 VanDerWaalsContact O-CB 3.3Å; N136-M140 WeakPolarHBondContact O-CB 3.38Å; N136-M140 PolarHBondContact O-N 2.81Å; M140-R142 HydrophobicContact CB-CG 4.41Å; M140-R142 PolarHBondContact O-N 3.2Å; M140-V144 HydrophobicContact CB-CG2 4.41Å; M140-V144 HydrophobicContact CG-CG2 4.18Å
141G84.1Confident74.9Confident72 Ų7272.8 Ų72.874%0.74236%0.363SS*.SBendtrans73.33.9-174.500000114.7H137H137-G141 WeakPolarHBondContact O-CA 3.48Å; H137-G141 PolarHBondContact O-N 2.92Å
142R82.2Confident74.1Confident168 Ų16873.3 Ų73.363%0.63438%0.376SS*.SBendtrans-154.1159.8-177.262.9-179.6177.8178.9-2.1112.2N136 M140 V144N136-R142 CarbonylContact C-O 3.43Å; M140-R142 HydrophobicContact CB-CG 4.41Å; M140-R142 PolarHBondContact O-N 3.2Å; R142-V144 PolarHBondContact O-N 3.1Å
143S74.5Confident73.1Confident26 Ų2679.9 Ų79.918%0.18240%0.403CS..  trans-66.7135166.9-168.40000110.3H137 Y145H137-S143 PolarHBondContact CD2-N 3.25Å; H137-S143 VanDerWaalsContact CD2-N 3.34Å; H137-S143 WeakPolarHBondContact NE2-CB 3.34Å; H137-S143 PolarHBondContact NE2-N 3.08Å; S143-Y145 VanDerWaalsContact OG-CD2 3.31Å; S143-Y145 WeakPolarHBondContact OG-CD2 3.27Å; S143-Y145 WeakPolarHBondContact OG-CE2 3.31Å; S143-Y145 VanDerWaalsContact OG-CZ 3.28Å
144V71.6Confident71.9Confident49 Ų4981.7 Ų81.730%0.29741%0.413SS..  trans-10389.9172.9-177.10000107.5N136 M140 R142N136-V144 HydrophobicContact CB-CB 4.27Å; N136-V144 HydrophobicContact CB-CG2 4.03Å; M140-V144 HydrophobicContact CB-CG2 4.41Å; M140-V144 HydrophobicContact CG-CG2 4.18Å; R142-V144 PolarHBondContact O-N 3.1Å
145Y66Low70.7Confident128 Ų12884.4 Ų84.450%0.50243%0.427SS..  trans-91.6133164.9-64.7-68.6000108.7S143 T147S143-Y145 VanDerWaalsContact OG-CD2 3.31Å; S143-Y145 WeakPolarHBondContact OG-CD2 3.27Å; S143-Y145 WeakPolarHBondContact OG-CE2 3.31Å; S143-Y145 VanDerWaalsContact OG-CZ 3.28Å; Y145-T147 PolarHBondContact O-N 3.16Å
146P57.8Low69.4Low47 Ų4791.9 Ų91.931%0.30546%0.458SS..  trans-65.394.8175.323.3-29.8000110.2W148P146-W148 HydrophobicContact CB-CZ2 4.48Å; P146-W148 PolarHBondContact O-N 3.29Å
147T56.1Low68.4Low115 Ų11596 Ų9671%0.70648%0.483SS*.G310 helixtrans-64.4-24.3-179.642.50000113.1Y145 R149 R150Y145-T147 PolarHBondContact O-N 3.16Å; T147-R149 PolarHBondContact O-N 3.49Å; T147-R149 VanDerWaalsContact O-N 3.14Å; T147-R150 PolarHBondContact O-N 2.84Å; T147-R150 VanDerWaalsContact O-N 3.12Å
148W55Low67.5Low50 Ų5096.9 Ų96.919%0.18949%0.489CS..G310 helixtrans-65.4-17-177.761-103.9000114.2P146 R150 T151 L154 L155 W162 E166P146-W148 HydrophobicContact CB-CZ2 4.48Å; P146-W148 PolarHBondContact O-N 3.29Å; W148-R150 PolarHBondContact O-N 3.07Å; W148-R150 VanDerWaalsContact O-N 3.1Å; W148-T151 PolarHBondContact O-N 2.75Å; W148-T151 VanDerWaalsContact O-N 3.11Å; W148-T151 PolarHBondContact O-OG1 3.25Å; W148-L154 HydrophobicContact CB-CD1 4.17Å; W148-L155 HydrophobicContact CZ3-CD2 4.39Å; W148-W162 HydrophobicContact CD2-CH2 4.44Å; W148-W162 AromaticContact CD2-CZ2 3.83Å; W148-W162 HydrophobicContact CD2-CZ2 3.83Å; W148-W162 AromaticContact CE2-CZ2 3.91Å; W148-W162 AromaticContact CE3-CH2 3.58Å; W148-W162 HydrophobicContact CE3-CH2 3.58Å; W148-W162 AromaticContact CE3-CZ2 3.42Å; W148-W162 HydrophobicContact CE3-CZ2 3.42Å; W148-W162 VanDerWaalsContact CE3-CZ2 3.42Å; W148-W162 AromaticContact CH2-CH2 3.5Å; W148-W162 HydrophobicContact CH2-CH2 3.5Å; W148-W162 AromaticContact CH2-CZ2 3.24Å; W148-W162 HydrophobicContact CH2-CZ2 3.24Å; W148-W162 HydrophobicContact CZ2-CH2 4.33Å; W148-W162 AromaticContact CZ2-CZ2 3.61Å; W148-W162 HydrophobicContact CZ2-CZ2 3.61Å; W148-W162 AromaticContact CZ3-CH2 3.1Å; W148-W162 HydrophobicContact CZ3-CH2 3.1Å; W148-W162 AromaticContact CZ3-CZ2 3.18Å; W148-W162 HydrophobicContact CZ3-CZ2 3.18Å; W148-W162 HydrophobicContact CZ3-CZ3 4.39Å; W148-E166 VanDerWaalsContact CH2-CD 3.46Å; W148-E166 HydrophobicContact CH2-CG 3.83Å; W148-E166 WeakPolarHBondContact CH2-OE2 3.44Å
149R55.5Low67Low102 Ų10299.1 Ų99.139%0.38549%0.494SS..G310 helixtrans-60.9-19.1173.5-75.6-168.4174.3-712.7112.3T147 E166 N170 R212T147-R149 PolarHBondContact O-N 3.49Å; T147-R149 VanDerWaalsContact O-N 3.14Å; R149-E166 IonicContact CZ-OE1 3.05Å; R149-E166 VanDerWaalsContact CZ-OE1 3.24Å; R149-E166 IonicContact NH1-OE1 2.81Å; R149-E166 PolarHBondContact NH1-OE1 3.17Å; R149-E166 IonicContact NH2-OE1 3.32Å; R149-E166 PolarHBondContact NH2-OE1 3Å; R149-N170 PolarHBondContact NH2-OD1 3.14Å; R149-R212 VanDerWaalsContact NH2-NH2 3.11Å
150R49.9Very low66.8Low234 Ų234103.8 Ų103.888%0.88351%0.51SS*.G310 helixtrans-91.7-10178.8-58.8-175.678.1-178.24114T147 W148T147-R150 PolarHBondContact O-N 2.84Å; T147-R150 VanDerWaalsContact O-N 3.12Å; W148-R150 PolarHBondContact O-N 3.07Å; W148-R150 VanDerWaalsContact O-N 3.1Å
151T54.2Low66.8Low59 Ų59106.2 Ų106.236%0.36251%0.514SS..  trans-100.999.1-175.253.30000111.3W148 F153 L154W148-T151 PolarHBondContact O-N 2.75Å; W148-T151 VanDerWaalsContact O-N 3.11Å; W148-T151 PolarHBondContact O-OG1 3.25Å; T151-F153 PolarHBondContact O-N 3.34Å; T151-L154 PolarHBondContact O-N 3.02Å; T151-L154 WeakPolarHBondContact OG1-CD1 3.39Å
152S59.5Low66.8Low90 Ų90104.6 Ų104.663%0.62949%0.486SS*.Hα-helixtrans-57.1-29.2177.960.40000113.5
153F61.2Low66.9Low148 Ų148103.6 Ų103.665%0.64948%0.482SS*.Hα-helixtrans-65.8-47.4179.7-177.5-99.6000112.9T151 L155 K156 V157T151-F153 PolarHBondContact O-N 3.34Å; F153-L155 VanDerWaalsContact C-N 3.28Å; F153-L155 PolarHBondContact O-N 3.01Å; F153-K156 WeakPolarHBondContact O-CB 3.22Å; F153-K156 PolarHBondContact O-N 3.48Å; F153-K156 VanDerWaalsContact O-N 3.1Å; F153-V157 HydrophobicContact CE1-CG2 4.4Å
154L62Low67.7Low76 Ų76105.4 Ų105.440%0.39849%0.485SS..Hα-helixtrans-63.3-35.6-179.7-69.7-179.7000111.9W148 T151 K156 V157 L158W148-L154 HydrophobicContact CB-CD1 4.17Å; T151-L154 PolarHBondContact O-N 3.02Å; T151-L154 WeakPolarHBondContact OG1-CD1 3.39Å; L154-K156 PolarHBondContact O-N 3.17Å; L154-V157 PolarHBondContact O-N 2.91Å; L154-V157 VanDerWaalsContact O-N 3.14Å; L154-L158 HydrophobicContact CB-CD1 4.29Å; L154-L158 WeakPolarHBondContact O-CB 3.49Å; L154-L158 VanDerWaalsContact O-CG 3.25Å; L154-L158 WeakPolarHBondContact O-CG 3.45Å; L154-L158 PolarHBondContact O-N 3.15Å
155L64Low68.5Low60 Ų60103.1 Ų103.131%0.31447%0.472SS..Hα-helixtrans-63.9-21177.5-65.3175.8000113.7W148 F153 W162 R163W148-L155 HydrophobicContact CZ3-CD2 4.39Å; F153-L155 VanDerWaalsContact C-N 3.28Å; F153-L155 PolarHBondContact O-N 3.01Å; L155-W162 HydrophobicContact CD2-CH2 3.48Å; L155-W162 VanDerWaalsContact CD2-CH2 3.48Å; L155-W162 HydrophobicContact CD2-CZ3 3.68Å; L155-R163 PolarHBondContact O-NH2 2.91Å
156K64.5Low69.5Low168 Ų16898.2 Ų98.273%0.7345%0.453SS*.Hα-helixtrans-80.3-35.5174.4-66.9-179179.7-178.30112.3F153 L154F153-K156 WeakPolarHBondContact O-CB 3.22Å; F153-K156 PolarHBondContact O-N 3.48Å; F153-K156 VanDerWaalsContact O-N 3.1Å; L154-K156 PolarHBondContact O-N 3.17Å
157V68.1Low71Confident91 Ų9199.9 Ų99.955%0.55246%0.456SS*.Hα-helixtrans-79.4-37.5179.1-176.90000111.5F153 L154 K159F153-V157 HydrophobicContact CE1-CG2 4.4Å; L154-V157 PolarHBondContact O-N 2.91Å; L154-V157 VanDerWaalsContact O-N 3.14Å; V157-K159 PolarHBondContact O-N 3.36Å
158L70.3Confident72.8Confident50 Ų5094.5 Ų94.526%0.26242%0.423SS..  trans-77.195.3-177.8-62.8172.3000110.3L154 W162 R163L154-L158 HydrophobicContact CB-CD1 4.29Å; L154-L158 WeakPolarHBondContact O-CB 3.49Å; L154-L158 VanDerWaalsContact O-CG 3.25Å; L154-L158 WeakPolarHBondContact O-CG 3.45Å; L154-L158 PolarHBondContact O-N 3.15Å; L158-W162 HydrophobicContact CB-CB 3.97Å; L158-W162 HydrophobicContact CB-CD2 3.62Å; L158-W162 HydrophobicContact CB-CE3 3.41Å; L158-W162 VanDerWaalsContact CB-CE3 3.41Å; L158-W162 HydrophobicContact CB-CG 3.88Å; L158-W162 HydrophobicContact CB-CZ3 4.03Å; L158-W162 HydrophobicContact CD1-CD2 3.47Å; L158-W162 VanDerWaalsContact CD1-CD2 3.47Å; L158-W162 HydrophobicContact CD1-CE3 3.87Å; L158-W162 HydrophobicContact CD1-CG 3.86Å; L158-W162 HydrophobicContact CD1-CH2 4.01Å; L158-W162 HydrophobicContact CD1-CZ2 3.65Å; L158-W162 HydrophobicContact CD1-CZ3 4.14Å; L158-W162 HydrophobicContact CD2-CB 3.98Å; L158-W162 HydrophobicContact CD2-CD2 4.31Å; L158-W162 HydrophobicContact CD2-CG 3.86Å; L158-W162 HydrophobicContact CG-CB 4.41Å; L158-W162 HydrophobicContact CG-CD2 3.97Å; L158-W162 HydrophobicContact CG-CE3 4.21Å; L158-W162 HydrophobicContact CG-CG 4.06Å; L158-R163 PolarHBondContact O-NE 2.88Å
159K77.8Confident74.5Confident166 Ų16692.1 Ų92.172%0.72241%0.414SS*.  trans-79.2-138.2-177.5-62.7-178.1-179.5179.40111.8V157 R163V157-K159 PolarHBondContact O-N 3.36Å; K159-R163 WeakPolarHBondContact O-CB 3.18Å; K159-R163 WeakPolarHBondContact O-CG 3.45Å; K159-R163 PolarHBondContact O-N 2.88Å
160K83.5Confident76.2Confident186 Ų18689.5 Ų89.581%0.80941%0.407SS*.Hα-helixtrans-62.6-48.4-168.6-169177.2-179.2179.80113.8Y164K160-Y164 WeakPolarHBondContact O-CB 3.21Å; K160-Y164 PolarHBondContact O-N 3.32Å
161R85.1Confident78.2Confident146 Ų14681.6 Ų81.655%0.55138%0.38SS*.Hα-helixtrans-63.4-53.8-172.6-66-174.9-177.2164.53.7111.9E102 I103 Y164 S165E102-R161 VanDerWaalsContact OE2-CD 3.3Å; E102-R161 WeakPolarHBondContact OE2-CD 3.31Å; E102-R161 IonicContact OE2-CZ 3.5Å; E102-R161 IonicContact OE2-NE 3.72Å; E102-R161 IonicContact OE2-NH1 2.69Å; E102-R161 PolarHBondContact OE2-NH1 3.47Å; I103-R161 HydrophobicContact CD1-CG 4.39Å; I103-R161 HydrophobicContact CG1-CB 4.24Å; I103-R161 HydrophobicContact CG1-CG 4.46Å; R161-Y164 WeakPolarHBondContact O-CB 3.49Å; R161-Y164 PolarHBondContact O-N 3.22Å; R161-S165 PolarHBondContact O-N 3.47Å; R161-S165 PolarHBondContact O-OG 2.92Å
162W84.1Confident80.1Confident38 Ų3878.8 Ų78.814%0.14436%0.363CS..Hα-helixtrans-65.7-41.7-179.3177.692.1000112.8W148 L155 L158 Y164 S165 E166W148-W162 HydrophobicContact CD2-CH2 4.44Å; W148-W162 AromaticContact CD2-CZ2 3.83Å; W148-W162 HydrophobicContact CD2-CZ2 3.83Å; W148-W162 AromaticContact CE2-CZ2 3.91Å; W148-W162 AromaticContact CE3-CH2 3.58Å; W148-W162 HydrophobicContact CE3-CH2 3.58Å; W148-W162 AromaticContact CE3-CZ2 3.42Å; W148-W162 HydrophobicContact CE3-CZ2 3.42Å; W148-W162 VanDerWaalsContact CE3-CZ2 3.42Å; W148-W162 AromaticContact CH2-CH2 3.5Å; W148-W162 HydrophobicContact CH2-CH2 3.5Å; W148-W162 AromaticContact CH2-CZ2 3.24Å; W148-W162 HydrophobicContact CH2-CZ2 3.24Å; W148-W162 HydrophobicContact CZ2-CH2 4.33Å; W148-W162 AromaticContact CZ2-CZ2 3.61Å; W148-W162 HydrophobicContact CZ2-CZ2 3.61Å; W148-W162 AromaticContact CZ3-CH2 3.1Å; W148-W162 HydrophobicContact CZ3-CH2 3.1Å; W148-W162 AromaticContact CZ3-CZ2 3.18Å; W148-W162 HydrophobicContact CZ3-CZ2 3.18Å; W148-W162 HydrophobicContact CZ3-CZ3 4.39Å; L155-W162 HydrophobicContact CD2-CH2 3.48Å; L155-W162 VanDerWaalsContact CD2-CH2 3.48Å; L155-W162 HydrophobicContact CD2-CZ3 3.68Å; L158-W162 HydrophobicContact CB-CB 3.97Å; L158-W162 HydrophobicContact CB-CD2 3.62Å; L158-W162 HydrophobicContact CB-CE3 3.41Å; L158-W162 VanDerWaalsContact CB-CE3 3.41Å; L158-W162 HydrophobicContact CB-CG 3.88Å; L158-W162 HydrophobicContact CB-CZ3 4.03Å; L158-W162 HydrophobicContact CD1-CD2 3.47Å; L158-W162 VanDerWaalsContact CD1-CD2 3.47Å; L158-W162 HydrophobicContact CD1-CE3 3.87Å; L158-W162 HydrophobicContact CD1-CG 3.86Å; L158-W162 HydrophobicContact CD1-CH2 4.01Å; L158-W162 HydrophobicContact CD1-CZ2 3.65Å; L158-W162 HydrophobicContact CD1-CZ3 4.14Å; L158-W162 HydrophobicContact CD2-CB 3.98Å; L158-W162 HydrophobicContact CD2-CD2 4.31Å; L158-W162 HydrophobicContact CD2-CG 3.86Å; L158-W162 HydrophobicContact CG-CB 4.41Å; L158-W162 HydrophobicContact CG-CD2 3.97Å; L158-W162 HydrophobicContact CG-CE3 4.21Å; L158-W162 HydrophobicContact CG-CG 4.06Å; W162-Y164 PolarHBondContact O-N 3.43Å; W162-S165 PolarHBondContact O-N 3.02Å; W162-S165 VanDerWaalsContact O-N 3.11Å; W162-E166 WeakPolarHBondContact CH2-OE2 3.13Å; W162-E166 VanDerWaalsContact CZ3-OE2 3.25Å; W162-E166 WeakPolarHBondContact CZ3-OE2 3.01Å; W162-E166 PolarHBondContact O-N 2.87Å
163R84.9Confident81.7Confident146 Ų14674.8 Ų74.855%0.55133%0.334SS*.Hα-helixtrans-58.7-37174.9-75179.6-176.7-163.6-3111.5L155 L158 K159 E166 F167L155-R163 PolarHBondContact O-NH2 2.91Å; L158-R163 PolarHBondContact O-NE 2.88Å; K159-R163 WeakPolarHBondContact O-CB 3.18Å; K159-R163 WeakPolarHBondContact O-CG 3.45Å; K159-R163 PolarHBondContact O-N 2.88Å; R163-E166 PolarHBondContact O-N 3.44Å; R163-F167 WeakPolarHBondContact O-CB 3.48Å; R163-F167 PolarHBondContact O-N 3.28Å
164Y89.4Confident83.1Confident65 Ų6573.5 Ų73.526%0.25533%0.329SS..Hα-helixtrans-68.8-44175.5-169.8-129.4000112R97 L99 I103 K160 R161 W162 E166 F167 L168R97-Y164 WeakPolarHBondContact CD-OH 3.3Å; L99-Y164 HydrophobicContact CD2-CE1 3.63Å; I103-Y164 HydrophobicContact CD1-CD1 4.13Å; I103-Y164 HydrophobicContact CG2-CD1 3.81Å; I103-Y164 HydrophobicContact CG2-CE1 4.26Å; K160-Y164 WeakPolarHBondContact O-CB 3.21Å; K160-Y164 PolarHBondContact O-N 3.32Å; R161-Y164 WeakPolarHBondContact O-CB 3.49Å; R161-Y164 PolarHBondContact O-N 3.22Å; W162-Y164 PolarHBondContact O-N 3.43Å; Y164-E166 VanDerWaalsContact C-N 3.26Å; Y164-E166 PolarHBondContact O-N 3.4Å; Y164-F167 HydrophobicContact CD2-CD1 4.14Å; Y164-F167 HydrophobicContact CE2-CD1 4.1Å; Y164-F167 WeakPolarHBondContact O-CB 3.15Å; Y164-F167 PolarHBondContact O-N 3.12Å; Y164-F167 VanDerWaalsContact O-N 3.14Å; Y164-L168 HydrophobicContact CD1-CD1 4.34Å; Y164-L168 HydrophobicContact CE1-CD1 4.21Å; Y164-L168 HydrophobicContact CE2-CD2 4.37Å; Y164-L168 WeakPolarHBondContact O-CG 3.24Å; Y164-L168 PolarHBondContact O-N 2.85Å
165S88.8Confident84.5Confident1 Ų173.6 Ų73.61%0.00732%0.323CS..Hα-helixtrans-60.5-34.6172.8-53.50000112.8I103 H110 R161 W162 A169I103-S165 PolarHBondContact O-OG 3.15Å; H110-S165 PolarHBondContact ND1-O 3.41Å; R161-S165 PolarHBondContact O-N 3.47Å; R161-S165 PolarHBondContact O-OG 2.92Å; W162-S165 PolarHBondContact O-N 3.02Å; W162-S165 VanDerWaalsContact O-N 3.11Å; S165-A169 WeakPolarHBondContact O-CB 3.35Å; S165-A169 PolarHBondContact O-N 3.06Å; S165-A169 VanDerWaalsContact O-N 3.1Å
166E87.5Confident85.9Confident25 Ų2570.7 Ų70.712%0.11731%0.308CS..Hα-helixtrans-68.1-44.5172.9-167.7-167.615300111.9W148 R149 W162 R163 Y164 L168 A169 N170 R212W148-E166 VanDerWaalsContact CH2-CD 3.46Å; W148-E166 HydrophobicContact CH2-CG 3.83Å; W148-E166 WeakPolarHBondContact CH2-OE2 3.44Å; R149-E166 IonicContact CZ-OE1 3.05Å; R149-E166 VanDerWaalsContact CZ-OE1 3.24Å; R149-E166 IonicContact NH1-OE1 2.81Å; R149-E166 PolarHBondContact NH1-OE1 3.17Å; R149-E166 IonicContact NH2-OE1 3.32Å; R149-E166 PolarHBondContact NH2-OE1 3Å; W162-E166 WeakPolarHBondContact CH2-OE2 3.13Å; W162-E166 VanDerWaalsContact CZ3-OE2 3.25Å; W162-E166 WeakPolarHBondContact CZ3-OE2 3.01Å; W162-E166 PolarHBondContact O-N 2.87Å; R163-E166 PolarHBondContact O-N 3.44Å; Y164-E166 VanDerWaalsContact C-N 3.26Å; Y164-E166 PolarHBondContact O-N 3.4Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-L168 PolarHBondContact O-N 3.44Å; E166-A169 WeakPolarHBondContact O-CB 3.45Å; E166-A169 PolarHBondContact O-N 3.43Å; E166-N170 PolarHBondContact O-N 3.3Å; E166-N170 PolarHBondContact O-ND2 2.95Å; E166-R212 PolarHBondContact O-NH1 3.49Å; E166-R212 VanDerWaalsContact O-NH1 3.16Å
167F89.8Confident87.1Confident81 Ų8163.4 Ų63.436%0.35528%0.277SS..Hα-helixtrans-56.7-47.9175169-94.2000110.9R163 Y164 A169 N170 Q171R163-F167 WeakPolarHBondContact O-CB 3.48Å; R163-F167 PolarHBondContact O-N 3.28Å; Y164-F167 HydrophobicContact CD2-CD1 4.14Å; Y164-F167 HydrophobicContact CE2-CD1 4.1Å; Y164-F167 WeakPolarHBondContact O-CB 3.15Å; Y164-F167 PolarHBondContact O-N 3.12Å; Y164-F167 VanDerWaalsContact O-N 3.14Å; F167-A169 VanDerWaalsContact C-N 3.31Å; F167-A169 PolarHBondContact O-N 3.37Å; F167-N170 PolarHBondContact O-N 2.84Å; F167-N170 VanDerWaalsContact O-N 3.14Å; F167-Q171 HydrophobicContact CD1-CG 4.26Å; F167-Q171 HydrophobicContact CD2-CG 4.45Å; F167-Q171 HydrophobicContact CE1-CG 3.79Å; F167-Q171 HydrophobicContact CE2-CG 4.01Å; F167-Q171 HydrophobicContact CZ-CG 3.66Å; F167-Q171 WeakPolarHBondContact O-CG 3.31Å; F167-Q171 PolarHBondContact O-N 2.89Å
168L92.8Very high88Confident3 Ų366 Ų662%0.01628%0.281CS..Hα-helixtrans-58.4-42.8176.4-66.3175.6000111.7V93 L94 L99 I103 A107 Y164 E166 N170 Q171 F172V93-L168 HydrophobicContact CG1-CB 4.46Å; V93-L168 HydrophobicContact CG1-CD2 4.04Å; L94-L168 HydrophobicContact CD2-CD1 4.3Å; L94-L168 HydrophobicContact CD2-CD2 4.28Å; L99-L168 HydrophobicContact CD2-CD1 3.76Å; I103-L168 HydrophobicContact CG2-CD1 3.97Å; A107-L168 HydrophobicContact CB-CB 4.34Å; A107-L168 HydrophobicContact CB-CD1 4.14Å; Y164-L168 HydrophobicContact CD1-CD1 4.34Å; Y164-L168 HydrophobicContact CE1-CD1 4.21Å; Y164-L168 HydrophobicContact CE2-CD2 4.37Å; Y164-L168 WeakPolarHBondContact O-CG 3.24Å; Y164-L168 PolarHBondContact O-N 2.85Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-L168 PolarHBondContact O-N 3.44Å; L168-N170 PolarHBondContact O-N 3.02Å; L168-Q171 PolarHBondContact O-N 3.37Å; L168-F172 WeakPolarHBondContact O-CB 3.35Å; L168-F172 PolarHBondContact O-N 2.79Å
169A91.7Very high88.8Confident0 Ų064.9 Ų64.90%027%0.274CS..Hα-helixtrans-65.2-35.8176.800000113.3H110 I114 S165 E166 F167 W173H110-A169 HydrophobicContact CB-CB 3.48Å; H110-A169 VanDerWaalsContact CB-CB 3.48Å; I114-A169 HydrophobicContact CD1-CB 4.25Å; S165-A169 WeakPolarHBondContact O-CB 3.35Å; S165-A169 PolarHBondContact O-N 3.06Å; S165-A169 VanDerWaalsContact O-N 3.1Å; E166-A169 WeakPolarHBondContact O-CB 3.45Å; E166-A169 PolarHBondContact O-N 3.43Å; F167-A169 VanDerWaalsContact C-N 3.31Å; F167-A169 PolarHBondContact O-N 3.37Å; A169-W173 PolarHBondContact O-N 3.18Å
170N90.1Very high89.3Confident46 Ų4658 Ų5825%0.24624%0.244CC..Hα-helixtrans-67.6-42.6173.7-69-26.3000111.6R149 E166 F167 L168 F172 W173 K174 R212R149-N170 PolarHBondContact NH2-OD1 3.14Å; E166-N170 PolarHBondContact O-N 3.3Å; E166-N170 PolarHBondContact O-ND2 2.95Å; F167-N170 PolarHBondContact O-N 2.84Å; F167-N170 VanDerWaalsContact O-N 3.14Å; L168-N170 PolarHBondContact O-N 3.02Å; N170-F172 VanDerWaalsContact C-N 3.34Å; N170-W173 PolarHBondContact O-N 3.02Å; N170-K174 WeakPolarHBondContact O-CG 2.97Å; N170-K174 PolarHBondContact O-N 3.03Å; N170-K174 VanDerWaalsContact O-N 3.08Å; N170-R212 VanDerWaalsContact OD1-CD 3.31Å; N170-R212 WeakPolarHBondContact OD1-CD 3.42Å; N170-R212 PolarHBondContact OD1-NH1 3.08Å
171Q92.6Very high89.4Confident68 Ų6849.6 Ų49.632%0.31821%0.208SC..Hα-helixtrans-63.7-42.3174.9-65.7-58.2-33.400111.3V93 F167 L168 K174 R175V93-Q171 HydrophobicContact CG1-CB 3.91Å; V93-Q171 HydrophobicContact CG2-CB 3.95Å; F167-Q171 HydrophobicContact CD1-CG 4.26Å; F167-Q171 HydrophobicContact CD2-CG 4.45Å; F167-Q171 HydrophobicContact CE1-CG 3.79Å; F167-Q171 HydrophobicContact CE2-CG 4.01Å; F167-Q171 HydrophobicContact CZ-CG 3.66Å; F167-Q171 WeakPolarHBondContact O-CG 3.31Å; F167-Q171 PolarHBondContact O-N 2.89Å; L168-Q171 PolarHBondContact O-N 3.37Å; Q171-K174 PolarHBondContact O-N 3.24Å; Q171-R175 WeakPolarHBondContact O-CB 3.23Å; Q171-R175 PolarHBondContact O-N 2.77Å
172F94.6Very high89.2Confident1 Ų145.9 Ų45.90%0.00420%0.203CC..Hα-helixtrans-56.1-51.8173.2174.7-93.4000111.3V86 A89 L90 V93 V111 I114 V115 L168 N170 K174 R175 W176V86-F172 HydrophobicContact CG1-CE2 4.16Å; V86-F172 HydrophobicContact CG1-CZ 4.15Å; V86-F172 HydrophobicContact CG2-CZ 4.5Å; A89-F172 HydrophobicContact CB-CD2 3.81Å; A89-F172 HydrophobicContact CB-CE2 3.61Å; A89-F172 HydrophobicContact CB-CZ 4.45Å; L90-F172 HydrophobicContact CD2-CD2 3.78Å; L90-F172 HydrophobicContact CD2-CE2 4.07Å; L90-F172 HydrophobicContact CG-CD2 4.03Å; L90-F172 HydrophobicContact CG-CE2 3.89Å; V93-F172 HydrophobicContact CG2-CB 4.47Å; V111-F172 HydrophobicContact CB-CD1 4.35Å; V111-F172 HydrophobicContact CB-CE1 4.26Å; V111-F172 HydrophobicContact CB-CZ 4.42Å; V111-F172 HydrophobicContact CG1-CD1 4.24Å; V111-F172 HydrophobicContact CG1-CD2 4.33Å; V111-F172 HydrophobicContact CG1-CE1 3.72Å; V111-F172 HydrophobicContact CG1-CE2 3.8Å; V111-F172 HydrophobicContact CG1-CZ 3.48Å; V111-F172 VanDerWaalsContact CG1-CZ 3.48Å; V111-F172 HydrophobicContact CG2-CB 4.2Å; V111-F172 HydrophobicContact CG2-CD1 3.78Å; V111-F172 HydrophobicContact CG2-CD2 3.9Å; V111-F172 HydrophobicContact CG2-CE1 4.14Å; V111-F172 HydrophobicContact CG2-CE2 4.23Å; V111-F172 HydrophobicContact CG2-CG 3.66Å; V111-F172 HydrophobicContact CG2-CZ 4.36Å; I114-F172 HydrophobicContact CB-CE1 4.43Å; I114-F172 HydrophobicContact CD1-CD1 3.91Å; I114-F172 HydrophobicContact CD1-CE1 4.49Å; I114-F172 HydrophobicContact CG2-CD1 4.32Å; I114-F172 HydrophobicContact CG2-CE1 4.01Å; V115-F172 HydrophobicContact CG2-CE1 4.17Å; V115-F172 HydrophobicContact CG2-CZ 4.08Å; L168-F172 WeakPolarHBondContact O-CB 3.35Å; L168-F172 PolarHBondContact O-N 2.79Å; N170-F172 VanDerWaalsContact C-N 3.34Å; F172-K174 PolarHBondContact O-N 2.81Å; F172-R175 PolarHBondContact O-N 3.49Å; F172-W176 HydrophobicContact CD1-CB 4.27Å; F172-W176 HydrophobicContact CE1-CB 3.84Å; F172-W176 HydrophobicContact CE1-CD2 4.04Å; F172-W176 HydrophobicContact CE1-CE3 4.13Å; F172-W176 AromaticContact CE1-CG 3.92Å; F172-W176 HydrophobicContact CE1-CG 3.92Å; F172-W176 HydrophobicContact CE2-CB 4.11Å; F172-W176 HydrophobicContact CE2-CG 4.3Å; F172-W176 HydrophobicContact CZ-CB 3.74Å; F172-W176 AromaticContact CZ-CD1 4Å; F172-W176 HydrophobicContact CZ-CD2 4.02Å; F172-W176 AromaticContact CZ-CG 3.62Å; F172-W176 HydrophobicContact CZ-CG 3.62Å; F172-W176 WeakPolarHBondContact O-CB 3.25Å; F172-W176 PolarHBondContact O-N 3.5Å
173W91.8Very high89.1Confident5 Ų547.7 Ų47.72%0.01922%0.218CC..Hα-helixtrans-55.1-52.2177.7170.2-102.9000112.5I114 A169 N170 R175 W176 I177 M210 P211 R212 K214 W215I114-W173 HydrophobicContact CG2-CE3 3.46Å; I114-W173 VanDerWaalsContact CG2-CE3 3.46Å; I114-W173 HydrophobicContact CG2-CZ3 3.92Å; A169-W173 PolarHBondContact O-N 3.18Å; N170-W173 PolarHBondContact O-N 3.02Å; W173-R175 PolarHBondContact O-N 2.82Å; W173-W176 HydrophobicContact CE3-CE3 4.34Å; W173-W176 HydrophobicContact CZ3-CE3 4.49Å; W173-W176 HydrophobicContact CZ3-CZ3 4.29Å; W173-W176 PolarHBondContact O-N 3Å; W173-I177 HydrophobicContact CH2-CD1 4.04Å; W173-I177 HydrophobicContact CZ2-CD1 4.3Å; W173-I177 HydrophobicContact CZ3-CD1 4.37Å; W173-I177 WeakPolarHBondContact O-CB 3.05Å; W173-I177 WeakPolarHBondContact O-CG2 3.25Å; W173-I177 PolarHBondContact O-N 2.69Å; W173-M210 HydrophobicContact CZ2-CB 4.43Å; W173-M210 PolarHBondContact NE1-O 3.21Å; W173-P211 WeakPolarHBondContact CZ2-O 3.41Å; W173-P211 PolarHBondContact NE1-O 2.98Å; W173-R212 HydrophobicContact CB-CB 4.28Å; W173-R212 HydrophobicContact CB-CG 3.91Å; W173-R212 HydrophobicContact CD2-CG 4.45Å; W173-R212 HydrophobicContact CG-CB 4.08Å; W173-R212 HydrophobicContact CG-CG 4.07Å; W173-K214 WeakPolarHBondContact CZ2-O 3.31Å; W173-W215 AromaticContact CH2-CD2 3.98Å; W173-W215 HydrophobicContact CH2-CD2 3.98Å; W173-W215 AromaticContact CH2-CE2 3.6Å; W173-W215 HydrophobicContact CH2-CG 4.4Å; W173-W215 HydrophobicContact CH2-CH2 4.47Å; W173-W215 AromaticContact CH2-CZ2 3.89Å; W173-W215 HydrophobicContact CH2-CZ2 3.89Å; W173-W215 AromaticContact CH2-NE1 3.79Å; W173-W215 AromaticContact CZ3-CE2 3.83Å; W173-W215 HydrophobicContact CZ3-CH2 4.41Å; W173-W215 AromaticContact CZ3-CZ2 3.72Å; W173-W215 HydrophobicContact CZ3-CZ2 3.72Å
174K90.7Very high88.8Confident122 Ų12244 Ų4453%0.5321%0.209SC..Hα-helixtrans-58.4-36.6-179.4-73.6-175.9176.8-168.10112.7N170 Q171 F172 K178N170-K174 WeakPolarHBondContact O-CG 2.97Å; N170-K174 PolarHBondContact O-N 3.03Å; N170-K174 VanDerWaalsContact O-N 3.08Å; Q171-K174 PolarHBondContact O-N 3.24Å; F172-K174 PolarHBondContact O-N 2.81Å; K174-K178 WeakPolarHBondContact O-CG 3.49Å
175R92.4Very high87.9Confident77 Ų7744.6 Ų44.629%0.29122%0.215SC..Hα-helixtrans-78.8-47.9177.7179.557.1179.1173.1-2.1111.7A89 V92 V93 Q171 F172 W173 I177 K178 E179A89-R175 HydrophobicContact CB-CB 4.29Å; A89-R175 HydrophobicContact CB-CG 3.89Å; V92-R175 HydrophobicContact CB-CG 4.35Å; V92-R175 HydrophobicContact CG1-CG 4.41Å; V93-R175 HydrophobicContact CG2-CB 4.32Å; Q171-R175 WeakPolarHBondContact O-CB 3.23Å; Q171-R175 PolarHBondContact O-N 2.77Å; F172-R175 PolarHBondContact O-N 3.49Å; W173-R175 PolarHBondContact O-N 2.82Å; R175-I177 PolarHBondContact O-N 3.49Å; R175-K178 WeakPolarHBondContact O-CB 3.4Å; R175-K178 PolarHBondContact O-N 2.94Å; R175-E179 IonicContact CZ-OE1 2.96Å; R175-E179 IonicContact NE-OE1 3.65Å; R175-E179 PolarHBondContact NE-OE1 3.2Å; R175-E179 IonicContact NH1-OE1 3.66Å; R175-E179 IonicContact NH2-OE1 2.61Å; R175-E179 PolarHBondContact NH2-OE1 3.39Å; R175-E179 WeakPolarHBondContact O-CG 3.31Å; R175-E179 PolarHBondContact O-N 2.88Å
176W93.9Very high86.7Confident0 Ų046.7 Ų46.70%024%0.237CC..Hα-helixtrans-64.4-40.9-174.5-178.258.8000111.6L82 S85 A89 I114 V115 R118 F172 W173 K178 E179 Y180 W215L82-W176 HydrophobicContact CD1-CZ2 4.04Å; S85-W176 PolarHBondContact OG-NE1 3.46Å; A89-W176 HydrophobicContact CB-CB 3.69Å; A89-W176 HydrophobicContact CB-CG 4.33Å; I114-W176 HydrophobicContact CG2-CE3 3.83Å; I114-W176 HydrophobicContact CG2-CZ3 3.81Å; V115-W176 HydrophobicContact CB-CH2 4.29Å; V115-W176 HydrophobicContact CB-CZ2 4.45Å; V115-W176 HydrophobicContact CG1-CH2 4.41Å; V115-W176 HydrophobicContact CG1-CZ2 4.28Å; V115-W176 HydrophobicContact CG2-CD2 4.47Å; V115-W176 HydrophobicContact CG2-CH2 4.05Å; V115-W176 HydrophobicContact CG2-CZ2 3.95Å; V115-W176 HydrophobicContact CG2-CZ3 4.34Å; R118-W176 HydrophobicContact CB-CH2 4.26Å; F172-W176 HydrophobicContact CD1-CB 4.27Å; F172-W176 HydrophobicContact CE1-CB 3.84Å; F172-W176 HydrophobicContact CE1-CD2 4.04Å; F172-W176 HydrophobicContact CE1-CE3 4.13Å; F172-W176 AromaticContact CE1-CG 3.92Å; F172-W176 HydrophobicContact CE1-CG 3.92Å; F172-W176 HydrophobicContact CE2-CB 4.11Å; F172-W176 HydrophobicContact CE2-CG 4.3Å; F172-W176 HydrophobicContact CZ-CB 3.74Å; F172-W176 AromaticContact CZ-CD1 4Å; F172-W176 HydrophobicContact CZ-CD2 4.02Å; F172-W176 AromaticContact CZ-CG 3.62Å; F172-W176 HydrophobicContact CZ-CG 3.62Å; F172-W176 WeakPolarHBondContact O-CB 3.25Å; F172-W176 PolarHBondContact O-N 3.5Å; W173-W176 HydrophobicContact CE3-CE3 4.34Å; W173-W176 HydrophobicContact CZ3-CE3 4.49Å; W173-W176 HydrophobicContact CZ3-CZ3 4.29Å; W173-W176 PolarHBondContact O-N 3Å; W176-K178 PolarHBondContact O-N 3.29Å; W176-E179 CarbonylContact O-C 3.5Å; W176-E179 WeakPolarHBondContact O-CA 3.38Å; W176-E179 WeakPolarHBondContact O-CB 3.2Å; W176-E179 PolarHBondContact O-N 3.18Å; W176-Y180 HydrophobicContact CH2-CD1 4.24Å; W176-Y180 HydrophobicContact CH2-CE1 4.48Å; W176-Y180 HydrophobicContact CH2-CG 4.35Å; W176-Y180 HydrophobicContact CZ2-CD1 4.13Å; W176-Y180 AromaticContact CZ2-CD2 3.9Å; W176-Y180 HydrophobicContact CZ2-CD2 3.9Å; W176-Y180 HydrophobicContact CZ2-CE2 4.34Å; W176-Y180 AromaticContact CZ2-CG 3.78Å; W176-Y180 HydrophobicContact CZ2-CG 3.78Å; W176-Y180 VanDerWaalsContact O-CB 3.27Å; W176-Y180 WeakPolarHBondContact O-CB 3.48Å; W176-Y180 PolarHBondContact O-N 3.37Å; W176-W215 HydrophobicContact CH2-CH2 4.15Å; W176-W215 HydrophobicContact CH2-CZ2 4.11Å; W176-W215 AromaticContact CZ3-CH2 3.98Å; W176-W215 HydrophobicContact CZ3-CH2 3.98Å; W176-W215 AromaticContact CZ3-CZ2 3.78Å; W176-W215 HydrophobicContact CZ3-CZ2 3.78Å
177I88.7Confident85.1Confident14 Ų1457.2 Ų57.27%0.07228%0.275CS..Hα-helixtrans-60.8-35.4177.9-158.464.7000112W173 R175 E179 L181 M210 W215W173-I177 HydrophobicContact CH2-CD1 4.04Å; W173-I177 HydrophobicContact CZ2-CD1 4.3Å; W173-I177 HydrophobicContact CZ3-CD1 4.37Å; W173-I177 WeakPolarHBondContact O-CB 3.05Å; W173-I177 WeakPolarHBondContact O-CG2 3.25Å; W173-I177 PolarHBondContact O-N 2.69Å; R175-I177 PolarHBondContact O-N 3.49Å; I177-E179 VanDerWaalsContact C-N 3.31Å; I177-E179 PolarHBondContact O-N 3.1Å; I177-L181 HydrophobicContact CD1-CD1 3.81Å; I177-L181 HydrophobicContact CD1-CD2 4.07Å; I177-L181 HydrophobicContact CD1-CG 3.72Å; I177-L181 HydrophobicContact CG1-CD1 3.52Å; I177-L181 HydrophobicContact CG1-CG 3.88Å; I177-L181 WeakPolarHBondContact O-CB 3.3Å; I177-L181 VanDerWaalsContact O-CG 3.31Å; I177-L181 WeakPolarHBondContact O-CG 3.4Å; I177-L181 PolarHBondContact O-N 3.33Å; I177-L181 VanDerWaalsContact O-N 3.07Å; I177-M210 HydrophobicContact CD1-CE 4.4Å; I177-M210 HydrophobicContact CG1-CE 3.95Å; I177-W215 HydrophobicContact CD1-CE3 3.94Å; I177-W215 HydrophobicContact CD1-CH2 3.54Å; I177-W215 HydrophobicContact CD1-CZ2 4.34Å; I177-W215 HydrophobicContact CD1-CZ3 3.31Å
178K87.9Confident83.3Confident146 Ų14664.6 Ų64.664%0.63530%0.301SS*.Hα-helixtrans-71.6-22.3174.9-67.4178.2178.5-177.10113.4K174 R175 W176 P182K174-K178 WeakPolarHBondContact O-CG 3.49Å; R175-K178 WeakPolarHBondContact O-CB 3.4Å; R175-K178 PolarHBondContact O-N 2.94Å; W176-K178 PolarHBondContact O-N 3.29Å; K178-P182 WeakPolarHBondContact O-CD 3.5Å; K178-P182 WeakPolarHBondContact O-CG 3.37Å
179E87.1Confident81Confident26 Ų2672.9 Ų72.912%0.12134%0.337CS..Hα-helixtrans-91.4-38.2176.4-67-71.7-179.200111.9R88 R175 W176 I177 T183R88-E179 VanDerWaalsContact CD-CD 3.46Å; R88-E179 VanDerWaalsContact CD-OE1 3.24Å; R88-E179 WeakPolarHBondContact CD-OE1 3.26Å; R88-E179 WeakPolarHBondContact CD-OE2 3.39Å; R88-E179 IonicContact CZ-OE1 3.23Å; R88-E179 VanDerWaalsContact CZ-OE1 3.23Å; R88-E179 IonicContact CZ-OE2 3.41Å; R88-E179 IonicContact NE-OE1 3.06Å; R88-E179 PolarHBondContact NE-OE1 2.9Å; R88-E179 IonicContact NE-OE2 3.62Å; R88-E179 IonicContact NH1-OE1 3.36Å; R88-E179 PolarHBondContact NH1-OE1 3.49Å; R88-E179 IonicContact NH1-OE2 2.71Å; R88-E179 PolarHBondContact NH1-OE2 3.11Å; R175-E179 IonicContact CZ-OE1 2.96Å; R175-E179 IonicContact NE-OE1 3.65Å; R175-E179 PolarHBondContact NE-OE1 3.2Å; R175-E179 IonicContact NH1-OE1 3.66Å; R175-E179 IonicContact NH2-OE1 2.61Å; R175-E179 PolarHBondContact NH2-OE1 3.39Å; R175-E179 WeakPolarHBondContact O-CG 3.31Å; R175-E179 PolarHBondContact O-N 2.88Å; W176-E179 CarbonylContact O-C 3.5Å; W176-E179 WeakPolarHBondContact O-CA 3.38Å; W176-E179 WeakPolarHBondContact O-CB 3.2Å; W176-E179 PolarHBondContact O-N 3.18Å; I177-E179 VanDerWaalsContact C-N 3.31Å; I177-E179 PolarHBondContact O-N 3.1Å; E179-T183 WeakPolarHBondContact O-CG2 3.33Å
180Y88.4Confident79.1Confident22 Ų2285 Ų859%0.08638%0.382CS..Hα-helixtrans-82.8-47.2-172.7178.8-108.9000112.7L82 R118 W176 T183 L184 W215L82-Y180 HydrophobicContact CD1-CD2 4.22Å; L82-Y180 HydrophobicContact CD1-CE2 3.9Å; R118-Y180 WeakPolarHBondContact CD-OH 3.11Å; W176-Y180 HydrophobicContact CH2-CD1 4.24Å; W176-Y180 HydrophobicContact CH2-CE1 4.48Å; W176-Y180 HydrophobicContact CH2-CG 4.35Å; W176-Y180 HydrophobicContact CZ2-CD1 4.13Å; W176-Y180 AromaticContact CZ2-CD2 3.9Å; W176-Y180 HydrophobicContact CZ2-CD2 3.9Å; W176-Y180 HydrophobicContact CZ2-CE2 4.34Å; W176-Y180 AromaticContact CZ2-CG 3.78Å; W176-Y180 HydrophobicContact CZ2-CG 3.78Å; W176-Y180 VanDerWaalsContact O-CB 3.27Å; W176-Y180 WeakPolarHBondContact O-CB 3.48Å; W176-Y180 PolarHBondContact O-N 3.37Å; Y180-T183 WeakPolarHBondContact O-CA 3.43Å; Y180-T183 WeakPolarHBondContact O-CB 3.2Å; Y180-T183 PolarHBondContact O-N 3.33Å; Y180-T183 PolarHBondContact O-OG1 3.34Å; Y180-L184 HydrophobicContact CD1-CD1 4.26Å; Y180-L184 HydrophobicContact CE1-CD1 3.65Å; Y180-L184 HydrophobicContact CE1-CD2 4.31Å; Y180-L184 HydrophobicContact CE1-CG 4.07Å; Y180-L184 HydrophobicContact CE2-CD2 4.37Å; Y180-L184 PolarHBondContact O-N 2.77Å; Y180-W215 AromaticContact CD1-CH2 3.71Å; Y180-W215 HydrophobicContact CD1-CH2 3.71Å; Y180-W215 HydrophobicContact CD1-CZ3 4.11Å; Y180-W215 AromaticContact CE1-CH2 3.73Å; Y180-W215 HydrophobicContact CE1-CH2 3.73Å; Y180-W215 HydrophobicContact CE1-CZ3 4.1Å
181L84Confident77.2Confident9 Ų991.5 Ų91.55%0.04741%0.409CS..Hα-helixtrans-57.1-41.8-177.7-69.6174.7000113.5I177 T183 L184 M185 I204 M206 M210 W215I177-L181 HydrophobicContact CD1-CD1 3.81Å; I177-L181 HydrophobicContact CD1-CD2 4.07Å; I177-L181 HydrophobicContact CD1-CG 3.72Å; I177-L181 HydrophobicContact CG1-CD1 3.52Å; I177-L181 HydrophobicContact CG1-CG 3.88Å; I177-L181 WeakPolarHBondContact O-CB 3.3Å; I177-L181 VanDerWaalsContact O-CG 3.31Å; I177-L181 WeakPolarHBondContact O-CG 3.4Å; I177-L181 PolarHBondContact O-N 3.33Å; I177-L181 VanDerWaalsContact O-N 3.07Å; L181-T183 PolarHBondContact O-N 3.19Å; L181-T183 VanDerWaalsContact O-N 3.17Å; L181-L184 HydrophobicContact CD2-CD1 4.26Å; L181-L184 WeakPolarHBondContact O-CB 3.27Å; L181-L184 PolarHBondContact O-N 3.25Å; L181-M185 PolarHBondContact O-N 2.83Å; L181-I204 HydrophobicContact CD2-CG2 4.03Å; L181-M206 HydrophobicContact CB-SD 3.66Å; L181-M206 HydrophobicContact CD1-CB 4.22Å; L181-M206 HydrophobicContact CD1-CG 3.75Å; L181-M206 HydrophobicContact CD1-SD 3.72Å; L181-M206 HydrophobicContact CG-SD 4.24Å; L181-M210 HydrophobicContact CD1-CE 4.13Å; L181-W215 HydrophobicContact CD2-CZ3 3.93Å
182P82.5Confident75.5Confident68 Ų6894.3 Ų94.344%0.44243%0.431SS..Hα-helixtrans-61.3-24.4175-2536.1000114.2K178 L184K178-P182 WeakPolarHBondContact O-CD 3.5Å; K178-P182 WeakPolarHBondContact O-CG 3.37Å; P182-L184 VanDerWaalsContact C-N 3.31Å
183T80.3Confident73.9Confident76 Ų76102.6 Ų102.647%0.46647%0.47SS..Hα-helixtrans-72.2-28.2175.7700000112.3E179 Y180 L181E179-T183 WeakPolarHBondContact O-CG2 3.33Å; Y180-T183 WeakPolarHBondContact O-CA 3.43Å; Y180-T183 WeakPolarHBondContact O-CB 3.2Å; Y180-T183 PolarHBondContact O-N 3.33Å; Y180-T183 PolarHBondContact O-OG1 3.34Å; L181-T183 PolarHBondContact O-N 3.19Å; L181-T183 VanDerWaalsContact O-N 3.17Å
184L79.5Confident72.7Confident68 Ų68105.2 Ų105.236%0.35650%0.498SS..Hα-helixtrans-78-34.8176.9-59.2-179.4000112.3Y180 L181 P182 G186 I204 C251Y180-L184 HydrophobicContact CD1-CD1 4.26Å; Y180-L184 HydrophobicContact CE1-CD1 3.65Å; Y180-L184 HydrophobicContact CE1-CD2 4.31Å; Y180-L184 HydrophobicContact CE1-CG 4.07Å; Y180-L184 HydrophobicContact CE2-CD2 4.37Å; Y180-L184 PolarHBondContact O-N 2.77Å; L181-L184 HydrophobicContact CD2-CD1 4.26Å; L181-L184 WeakPolarHBondContact O-CB 3.27Å; L181-L184 PolarHBondContact O-N 3.25Å; P182-L184 VanDerWaalsContact C-N 3.31Å; L184-G186 PolarHBondContact O-N 3.1Å; L184-I204 HydrophobicContact CD1-CD1 3.91Å; L184-C251 WeakPolarHBondContact CB-SG 3.5Å
185M71.5Confident72.3Confident78 Ų78103.8 Ų103.838%0.38449%0.49SS..THydrogen-bonded Turntrans-68.90.2177.9-64.7176.575.700114.3L181 M206 T248 C251L181-M185 PolarHBondContact O-N 2.83Å; M185-M206 HydrophobicContact CE-CE 3.85Å; M185-M206 HydrophobicContact SD-CE 3.23Å; M185-M206 WeakPolarHBondContact SD-CE 3.18Å; M185-M206 HydrophobicContact SD-SD 3.76Å; M185-T248 VanDerWaalsContact CE-O 3.31Å; M185-T248 WeakPolarHBondContact CE-O 3.36Å; M185-C251 HydrophobicContact CG-CB 4.01Å
186G62.3Low72Confident45 Ų45103.2 Ų103.246%0.46449%0.492SS..  trans58.387.6172.900000114.2L184 R188L184-G186 PolarHBondContact O-N 3.1Å; G186-R188 PolarHBondContact O-N 3.2Å
187R53.6Low71.8Confident247 Ų247104.9 Ų104.993%0.93250%0.5SS*.  trans-74.862.1154.6-84.6-172175.5-171.2-0.9109.7K189R187-K189 PolarHBondContact O-N 3.11Å
188R53.2Low72Confident236 Ų236110.2 Ų110.289%0.89152%0.519SS*.  trans-72.2120.9163.3-77.6-174.9175.4-176.5-0.1106G186 W190G186-R188 PolarHBondContact O-N 3.2Å; R188-W190 PolarHBondContact O-N 2.84Å
189K44.7Very low72.2Confident176 Ų176106.5 Ų106.577%0.76551%0.506SS*.  trans-36.7130.2179.4-68.8171.8172.4179.90110.3R187 F191R187-K189 PolarHBondContact O-N 3.11Å; K189-F191 HydrophobicContact CB-CD2 3.89Å; K189-F191 HydrophobicContact CB-CE2 4.13Å; K189-F191 PolarHBondContact O-N 3.09Å
190W50.1Low72.3Confident254 Ų254109.8 Ų109.896%0.96253%0.525SS*.SBendtrans-51.953-173.7-65.881.3000117R188R188-W190 PolarHBondContact O-N 2.84Å
191F52.1Low72.4Confident183 Ų183108.8 Ų108.880%0.80352%0.52SS*.SBendtrans-124.4-4-177.9-64.4-70.4000113.7K189K189-F191 HydrophobicContact CB-CD2 3.89Å; K189-F191 HydrophobicContact CB-CE2 4.13Å; K189-F191 PolarHBondContact O-N 3.09Å
192T55.4Low72.7Confident128 Ų128108.9 Ų108.979%0.78552%0.521SS*.SBendtrans-143.4125.2176.9-38.10000108.5G194T192-G194 PolarHBondContact O-N 3.09Å; T192-G194 VanDerWaalsContact O-N 3.15Å
193Q61.4Low73.1Confident174 Ų174105.6 Ų105.681%0.81350%0.5SS*.PPolyproline II helixtrans-58.8118.8169.8-78.5-175.9-27.400108.1
194G67.1Low73.5Confident60 Ų60102 Ų10262%0.61948%0.478SS*.PPolyproline II helixtrans-70.8158.217300000110.9T192 N196T192-G194 PolarHBondContact O-N 3.09Å; T192-G194 VanDerWaalsContact O-N 3.15Å; G194-N196 PolarHBondContact O-N 3.05Å
195R81.1Confident74Confident93 Ų9398.8 Ų98.835%0.35146%0.461SS..PPolyproline II helixtrans-52.6123.8169.9174.8-179.1179.3-87.53109.5D201 S255 D257R195-D201 IonicContact CZ-OD1 3.39Å; R195-D201 VanDerWaalsContact CZ-OD1 3.32Å; R195-D201 IonicContact CZ-OD2 3.32Å; R195-D201 VanDerWaalsContact NH1-CG 3.28Å; R195-D201 IonicContact NH1-OD1 3.18Å; R195-D201 PolarHBondContact NH1-OD1 2.85Å; R195-D201 IonicContact NH1-OD2 3.02Å; R195-D201 PolarHBondContact NH1-OD2 3.36Å; R195-D201 IonicContact NH2-OD1 2.9Å; R195-D201 PolarHBondContact NH2-OD1 3.05Å; R195-D201 IonicContact NH2-OD2 2.71Å; R195-S255 VanDerWaalsContact CZ-CB 3.42Å; R195-D257 IonicContact CZ-OD2 3.8Å; R195-D257 IonicContact NE-OD2 3.25Å; R195-D257 PolarHBondContact NE-OD2 2.86Å; R195-D257 IonicContact NH2-OD2 3.77Å; R195-D257 PolarHBondContact NH2-OD2 3.46Å
196N87.1Confident74.6Confident65 Ų6596.5 Ų96.535%0.34845%0.45SS..PPolyproline II helixtrans-65.9154.3169-82.4-34000110.6G194 G229 V231G194-N196 PolarHBondContact O-N 3.05Å; N196-G229 PolarHBondContact ND2-O 2.9Å; N196-V231 HydrophobicContact CB-CG2 3.96Å
197F90.2Very high75.5Confident35 Ų3598.3 Ų98.315%0.15445%0.446CS..PPolyproline II helixtrans-58143169.4-68-71000110.4D201 V203 V223 V231 A247 L250 L252F197-D201 WeakPolarHBondContact CA-OD2 3.5Å; F197-V203 HydrophobicContact CD1-CG1 3.91Å; F197-V203 HydrophobicContact CE1-CG1 3.67Å; F197-V223 HydrophobicContact CB-CG1 4.09Å; F197-V231 HydrophobicContact CB-CG1 4.3Å; F197-A247 HydrophobicContact CD2-CB 4.04Å; F197-A247 HydrophobicContact CE2-CB 3.92Å; F197-L250 HydrophobicContact CE1-CB 4.18Å; F197-L250 HydrophobicContact CE2-CB 4.07Å; F197-L250 HydrophobicContact CZ-CB 3.67Å; F197-L252 HydrophobicContact CD1-CD1 4.43Å; F197-L252 HydrophobicContact CE1-CB 4.03Å; F197-L252 HydrophobicContact CE1-CD1 4.44Å
198R91.6Very high76.4Confident125 Ų12591.4 Ų91.447%0.47244%0.436SS..  trans-121.6162.8175.1-63.4-176.5177.8174.4-5.7109.8D201 V220 D257R198-D201 PolarHBondContact N-OD2 3.14Å; R198-D201 WeakPolarHBondContact O-CB 3.44Å; R198-D201 PolarHBondContact O-N 3.11Å; R198-V220 VanDerWaalsContact O-CB 3.32Å; R198-V220 WeakPolarHBondContact O-CB 3.33Å; R198-V220 VanDerWaalsContact O-CG1 3.22Å; R198-V220 WeakPolarHBondContact O-CG1 3.44Å; R198-D257 IonicContact CZ-OD2 3.24Å; R198-D257 VanDerWaalsContact NH1-CG 3.31Å; R198-D257 IonicContact NH1-OD1 2.77Å; R198-D257 PolarHBondContact NH1-OD1 3.3Å; R198-D257 IonicContact NH1-OD2 2.69Å; R198-D257 PolarHBondContact NH1-OD2 3.12Å
199N91.9Very high77.4Confident69 Ų6986.5 Ų86.537%0.36943%0.427SS..THydrogen-bonded Turntrans-58146.8167-59.2-3.3000108.9D201 V220 I221 H222 V223 A256N199-D201 PolarHBondContact O-N 3.1Å; N199-V220 CarbonylContact C-O 3.59Å; N199-I221 VanDerWaalsContact CG-O 3.27Å; N199-I221 PolarHBondContact OD1-O 2.96Å; N199-H222 VanDerWaalsContact OD1-CA 3.27Å; N199-H222 WeakPolarHBondContact OD1-CA 3.39Å; N199-V223 PolarHBondContact OD1-N 2.92Å; N199-A256 WeakPolarHBondContact O-CB 3.3Å
200D90.7Very high78.9Confident95 Ų9578.8 Ų78.851%0.50839%0.394SS..THydrogen-bonded Turntrans681.1-175.2-58.1-52.6000116.5I202 V220 A256D200-I202 PolarHBondContact O-N 3.08Å; D200-V220 PolarHBondContact N-O 2.81Å; D200-A256 HydrophobicContact CB-CB 4.01Å
201D90.7Very high80.3Confident0 Ų070.5 Ų70.50%037%0.373CS..  trans-60.3135.1168.4-80.2-12.9000111.1R195 F197 R198 N199 V203 R219 V220 L252 S255 A256R195-D201 IonicContact CZ-OD1 3.39Å; R195-D201 VanDerWaalsContact CZ-OD1 3.32Å; R195-D201 IonicContact CZ-OD2 3.32Å; R195-D201 VanDerWaalsContact NH1-CG 3.28Å; R195-D201 IonicContact NH1-OD1 3.18Å; R195-D201 PolarHBondContact NH1-OD1 2.85Å; R195-D201 IonicContact NH1-OD2 3.02Å; R195-D201 PolarHBondContact NH1-OD2 3.36Å; R195-D201 IonicContact NH2-OD1 2.9Å; R195-D201 PolarHBondContact NH2-OD1 3.05Å; R195-D201 IonicContact NH2-OD2 2.71Å; F197-D201 WeakPolarHBondContact CA-OD2 3.5Å; R198-D201 PolarHBondContact N-OD2 3.14Å; R198-D201 WeakPolarHBondContact O-CB 3.44Å; R198-D201 PolarHBondContact O-N 3.11Å; N199-D201 PolarHBondContact O-N 3.1Å; D201-V203 HydrophobicContact CB-CG1 4.45Å; D201-R219 WeakPolarHBondContact O-CA 3.36Å; D201-V220 HydrophobicContact CB-CB 4.27Å; D201-V220 HydrophobicContact CB-CG2 4.03Å; D201-V220 PolarHBondContact O-N 3.05Å; D201-L252 HydrophobicContact CB-CD1 3.76Å; D201-S255 WeakPolarHBondContact OD1-CA 3.45Å; D201-A256 PolarHBondContact OD1-N 3.45Å
202I90.6Very high81.6Confident11 Ų1163.4 Ų63.46%0.05634%0.341CS..EExtended strand (participates in β ladder)trans-91.6126173.3-52-62.3000108.8Y122 D200 R219 L253 E254Y122-I202 HydrophobicContact CD1-CB 4.48Å; Y122-I202 HydrophobicContact CD1-CD1 3.94Å; Y122-I202 HydrophobicContact CD1-CG1 3.67Å; Y122-I202 HydrophobicContact CD1-CG2 4.21Å; Y122-I202 HydrophobicContact CD2-CG2 4.41Å; Y122-I202 HydrophobicContact CE1-CD1 3.84Å; Y122-I202 HydrophobicContact CE1-CG1 4.12Å; Y122-I202 HydrophobicContact CG-CG1 4.27Å; Y122-I202 HydrophobicContact CG-CG2 4Å; D200-I202 PolarHBondContact O-N 3.08Å; I202-R219 HydrophobicContact CD1-CB 3.99Å; I202-R219 HydrophobicContact CD1-CG 3.96Å; I202-L253 HydrophobicContact CG2-CB 4.44Å; I202-L253 HydrophobicContact CG2-CD2 4.27Å; I202-L253 WeakPolarHBondContact O-CA 3.49Å; I202-L253 WeakPolarHBondContact O-CB 3.49Å; I202-L253 PolarHBondContact O-N 2.82Å; I202-E254 HydrophobicContact CB-CB 4.13Å; I202-E254 HydrophobicContact CG1-CB 4.38Å; I202-E254 PolarHBondContact N-O 2.86Å; I202-E254 PolarHBondContact O-N 2.91Å; I202-E254 VanDerWaalsContact O-N 3.16Å
203V90.5Very high82.6Confident0 Ų058.4 Ų58.40%032%0.315CS..EExtended strand (participates in β ladder)trans-129148.3-172.7-62.30000112.2F197 D201 V205 L217 G218 V220 V236 L250 C251 L252F197-V203 HydrophobicContact CD1-CG1 3.91Å; F197-V203 HydrophobicContact CE1-CG1 3.67Å; D201-V203 HydrophobicContact CB-CG1 4.45Å; V203-V205 HydrophobicContact CG2-CG2 4.42Å; V203-L217 WeakPolarHBondContact O-CA 3.44Å; V203-G218 WeakPolarHBondContact CG2-O 3.37Å; V203-G218 PolarHBondContact N-O 2.78Å; V203-G218 PolarHBondContact O-N 3.34Å; V203-V220 HydrophobicContact CG1-CG2 3.82Å; V203-V220 HydrophobicContact CG2-CG2 4.12Å; V203-V236 HydrophobicContact CG2-CG1 3.89Å; V203-V236 HydrophobicContact CG2-CG2 4.23Å; V203-L250 HydrophobicContact CB-CB 4.39Å; V203-L250 HydrophobicContact CG2-CD2 4Å; V203-C251 CarbonylContact C-O 3.51Å; V203-C251 WeakPolarHBondContact CA-O 2.68Å; V203-C251 WeakPolarHBondContact CB-O 3.22Å; V203-L252 HydrophobicContact CG1-CD1 4.48Å
204I89.2Confident83.5Confident1 Ų155.2 Ų55.21%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-85.1119.3162.3-54.4171.5000107.7L181 L184 W215 L217 C251 L253L181-I204 HydrophobicContact CD2-CG2 4.03Å; L184-I204 HydrophobicContact CD1-CD1 3.91Å; I204-W215 HydrophobicContact CD1-CE3 4.4Å; I204-W215 HydrophobicContact CG2-CE3 4.31Å; I204-L217 HydrophobicContact CG1-CD2 3.77Å; I204-C251 HydrophobicContact CB-CB 4.24Å; I204-C251 PolarHBondContact N-O 2.8Å; I204-C251 PolarHBondContact O-N 2.79Å; I204-L253 HydrophobicContact CD1-CD1 4.45Å; I204-L253 HydrophobicContact CG1-CB 4.45Å
205V88.9Confident84.2Confident0 Ų053.4 Ų53.40%027%0.273CS..EExtended strand (participates in β ladder)trans-84.3119.7175.1-1760000109.3V203 E207 S216 V236 A238 I243 R245 L250V203-V205 HydrophobicContact CG2-CG2 4.42Å; V205-E207 HydrophobicContact CG1-CG 4.13Å; V205-E207 PolarHBondContact O-N 2.76Å; V205-S216 PolarHBondContact N-O 3.41Å; V205-V236 HydrophobicContact CG2-CG1 3.87Å; V205-A238 HydrophobicContact CG2-CB 4.49Å; V205-I243 HydrophobicContact CG1-CD1 3.94Å; V205-I243 HydrophobicContact CG2-CD1 4.39Å; V205-R245 HydrophobicContact CG1-CG 4.07Å; V205-L250 HydrophobicContact CB-CD2 4.45Å; V205-L250 HydrophobicContact CG1-CD2 4.44Å; V205-L250 HydrophobicContact CG2-CD2 4Å
206M84.5Confident84.5Confident30 Ų3049.2 Ų49.215%0.14826%0.258CS..  trans-86.2100.3-178.6-54.4-158.6-71.100111.4L181 M185 T248 K249L181-M206 HydrophobicContact CB-SD 3.66Å; L181-M206 HydrophobicContact CD1-CB 4.22Å; L181-M206 HydrophobicContact CD1-CG 3.75Å; L181-M206 HydrophobicContact CD1-SD 3.72Å; L181-M206 HydrophobicContact CG-SD 4.24Å; M185-M206 HydrophobicContact CE-CE 3.85Å; M185-M206 HydrophobicContact SD-CE 3.23Å; M185-M206 WeakPolarHBondContact SD-CE 3.18Å; M185-M206 HydrophobicContact SD-SD 3.76Å; M206-T248 WeakPolarHBondContact CE-O 3.41Å; M206-K249 HydrophobicContact CB-CD 4.3Å; M206-K249 WeakPolarHBondContact CB-O 3.29Å; M206-K249 HydrophobicContact CE-CD 4.3Å; M206-K249 WeakPolarHBondContact CG-O 3.48Å; M206-K249 PolarHBondContact N-O 3.37Å
207E80.1Confident84.5Confident82 Ų8246.4 Ų46.438%0.38324%0.243SC..  trans-100.9148.1173.2-50.1-165.5142.900111.8V205 D209 M210 R245V205-E207 HydrophobicContact CG1-CG 4.13Å; V205-E207 PolarHBondContact O-N 2.76Å; E207-D209 VanDerWaalsContact C-N 3.25Å; E207-D209 PolarHBondContact O-N 2.89Å; E207-M210 HydrophobicContact CB-CG 3.77Å; E207-M210 HydrophobicContact CG-CG 4.47Å; E207-R245 IonicContact OE1-NH2 3.6Å; E207-R245 PolarHBondContact OE1-NH2 3.08Å
208S72.9Confident84.5Confident103 Ų10345 Ų4572%0.7224%0.237SC*.THydrogen-bonded Turntrans-63.7-31.4-179.443.60000113.1
209D75Confident84.5Confident133 Ų13341.5 Ų41.571%0.71122%0.224SC*.THydrogen-bonded Turntrans-12229.6-164.8-59.8-60.5000113.5E207E207-D209 VanDerWaalsContact C-N 3.25Å; E207-D209 PolarHBondContact O-N 2.89Å
210M74.9Confident84.5Confident14 Ų1438.2 Ų38.27%0.06921%0.207CC..PPolyproline II helixtrans-59.3128.3179.3-69.5-166.6-78.400112W173 I177 L181 E207W173-M210 HydrophobicContact CZ2-CB 4.43Å; W173-M210 PolarHBondContact NE1-O 3.21Å; I177-M210 HydrophobicContact CD1-CE 4.4Å; I177-M210 HydrophobicContact CG1-CE 3.95Å; L181-M210 HydrophobicContact CD1-CE 4.13Å; E207-M210 HydrophobicContact CB-CG 3.77Å; E207-M210 HydrophobicContact CG-CG 4.47Å
211P80.5Confident84.6Confident79 Ų7937 Ų3751%0.51320%0.199SC..PPolyproline II helixtrans-66152.7177.323.9-28.2000111.4W173 G213 K214W173-P211 WeakPolarHBondContact CZ2-O 3.41Å; W173-P211 PolarHBondContact NE1-O 2.98Å; P211-G213 PolarHBondContact O-N 2.82Å; P211-K214 HydrophobicContact CG-CB 3.8Å; P211-K214 HydrophobicContact CG-CD 3.84Å; P211-K214 HydrophobicContact CG-CG 4.4Å; P211-K214 PolarHBondContact O-N 2.84Å
212R80.1Confident84.7Confident34 Ų3441 Ų4113%0.12822%0.218CC..THydrogen-bonded Turntrans-54.9122.8-175.1-178.7177.580.1-160.910.4112.2I114 R149 E166 N170 W173 K214I114-R212 HydrophobicContact CD1-CG 3.97Å; I114-R212 HydrophobicContact CG1-CG 4.03Å; R149-R212 VanDerWaalsContact NH2-NH2 3.11Å; E166-R212 PolarHBondContact O-NH1 3.49Å; E166-R212 VanDerWaalsContact O-NH1 3.16Å; N170-R212 VanDerWaalsContact OD1-CD 3.31Å; N170-R212 WeakPolarHBondContact OD1-CD 3.42Å; N170-R212 PolarHBondContact OD1-NH1 3.08Å; W173-R212 HydrophobicContact CB-CB 4.28Å; W173-R212 HydrophobicContact CB-CG 3.91Å; W173-R212 HydrophobicContact CD2-CG 4.45Å; W173-R212 HydrophobicContact CG-CB 4.08Å; W173-R212 HydrophobicContact CG-CG 4.07Å; R212-K214 PolarHBondContact O-N 2.81Å
213G75.7Confident84.9Confident24 Ų2441.8 Ų41.825%0.24722%0.223CC..THydrogen-bonded Turntrans78.82.7176.300000114.4P211P211-G213 PolarHBondContact O-N 2.82Å
214K80Confident85Confident106 Ų10645.4 Ų45.446%0.46124%0.239SC..  trans-96.9121.2171.8-167.2176.9-178-178.20108.9W173 P211 R212W173-K214 WeakPolarHBondContact CZ2-O 3.31Å; P211-K214 HydrophobicContact CG-CB 3.8Å; P211-K214 HydrophobicContact CG-CD 3.84Å; P211-K214 HydrophobicContact CG-CG 4.4Å; P211-K214 PolarHBondContact O-N 2.84Å; R212-K214 PolarHBondContact O-N 2.81Å
215W83.1Confident85.1Confident23 Ų2349.1 Ų49.19%0.08726%0.264CS..  trans-102.5120.3174.2-61.385.6000107.6G117 R118 P119 W173 W176 I177 Y180 L181 I204 L217G117-W215 PolarHBondContact O-NE1 3.16Å; R118-W215 HydrophobicContact CB-CH2 4.02Å; R118-W215 HydrophobicContact CB-CZ2 3.49Å; R118-W215 VanDerWaalsContact CB-CZ2 3.49Å; P119-W215 HydrophobicContact CG-CB 3.69Å; P119-W215 HydrophobicContact CG-CD2 3.84Å; P119-W215 HydrophobicContact CG-CE3 4.21Å; P119-W215 HydrophobicContact CG-CG 3.6Å; W173-W215 AromaticContact CH2-CD2 3.98Å; W173-W215 HydrophobicContact CH2-CD2 3.98Å; W173-W215 AromaticContact CH2-CE2 3.6Å; W173-W215 HydrophobicContact CH2-CG 4.4Å; W173-W215 HydrophobicContact CH2-CH2 4.47Å; W173-W215 AromaticContact CH2-CZ2 3.89Å; W173-W215 HydrophobicContact CH2-CZ2 3.89Å; W173-W215 AromaticContact CH2-NE1 3.79Å; W173-W215 AromaticContact CZ3-CE2 3.83Å; W173-W215 HydrophobicContact CZ3-CH2 4.41Å; W173-W215 AromaticContact CZ3-CZ2 3.72Å; W173-W215 HydrophobicContact CZ3-CZ2 3.72Å; W176-W215 HydrophobicContact CH2-CH2 4.15Å; W176-W215 HydrophobicContact CH2-CZ2 4.11Å; W176-W215 AromaticContact CZ3-CH2 3.98Å; W176-W215 HydrophobicContact CZ3-CH2 3.98Å; W176-W215 AromaticContact CZ3-CZ2 3.78Å; W176-W215 HydrophobicContact CZ3-CZ2 3.78Å; I177-W215 HydrophobicContact CD1-CE3 3.94Å; I177-W215 HydrophobicContact CD1-CH2 3.54Å; I177-W215 HydrophobicContact CD1-CZ2 4.34Å; I177-W215 HydrophobicContact CD1-CZ3 3.31Å; Y180-W215 AromaticContact CD1-CH2 3.71Å; Y180-W215 HydrophobicContact CD1-CH2 3.71Å; Y180-W215 HydrophobicContact CD1-CZ3 4.11Å; Y180-W215 AromaticContact CE1-CH2 3.73Å; Y180-W215 HydrophobicContact CE1-CH2 3.73Å; Y180-W215 HydrophobicContact CE1-CZ3 4.1Å; L181-W215 HydrophobicContact CD2-CZ3 3.93Å; I204-W215 HydrophobicContact CD1-CE3 4.4Å; I204-W215 HydrophobicContact CG2-CE3 4.31Å; W215-L217 PolarHBondContact O-N 2.82Å; W215-L217 VanDerWaalsContact O-N 3.08Å
216S85.5Confident85Confident5 Ų550 Ų504%0.03527%0.272CS..  trans-78.695.4178.4-168.10000109V205V205-S216 PolarHBondContact N-O 3.41Å
217L88.9Confident85.1Confident6 Ų657 Ų573%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-85149.8172.8-62.9176.3000110.1P119 P130 P132 V203 I204 W215 A238 L253P119-L217 HydrophobicContact CG-CD2 4.34Å; P130-L217 HydrophobicContact CB-CB 4.33Å; P130-L217 HydrophobicContact CB-CD1 4.44Å; P130-L217 HydrophobicContact CG-CB 4.06Å; P130-L217 WeakPolarHBondContact O-CD1 3.45Å; P132-L217 HydrophobicContact CB-CD1 3.71Å; P132-L217 HydrophobicContact CG-CD1 3.67Å; V203-L217 WeakPolarHBondContact O-CA 3.44Å; I204-L217 HydrophobicContact CG1-CD2 3.77Å; W215-L217 PolarHBondContact O-N 2.82Å; W215-L217 VanDerWaalsContact O-N 3.08Å; L217-A238 WeakPolarHBondContact O-CB 3.25Å; L217-L253 HydrophobicContact CD2-CD2 3.69Å
218G89.2Confident85.5Confident4 Ų457.1 Ų57.14%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-155.8163.1171.400000112.6V203 Q237V203-G218 WeakPolarHBondContact CG2-O 3.37Å; V203-G218 PolarHBondContact N-O 2.78Å; V203-G218 PolarHBondContact O-N 3.34Å; G218-Q237 CarbonylContact C-O 3.46Å; G218-Q237 WeakPolarHBondContact CA-O 3.43Å
219R91.9Very high86.1Confident52 Ų5254 Ų5420%0.19630%0.298CS..EExtended strand (participates in β ladder)trans-105132.4175.5-174.5178.1-58.21764.6109.6S125 D201 I202 I221 V236 Q237S125-R219 PolarHBondContact O-NH2 2.95Å; D201-R219 WeakPolarHBondContact O-CA 3.36Å; I202-R219 HydrophobicContact CD1-CB 3.99Å; I202-R219 HydrophobicContact CD1-CG 3.96Å; R219-I221 PolarHBondContact O-N 3.06Å; R219-V236 CarbonylContact O-C 3.59Å; R219-V236 VanDerWaalsContact O-CA 3.3Å; R219-V236 WeakPolarHBondContact O-CA 3.41Å; R219-Q237 PolarHBondContact N-O 3.18Å; R219-Q237 PolarHBondContact O-N 3.11Å
220V92.1Very high86.6Confident0 Ų050.9 Ų50.90%028%0.281CS..EExtended strand (participates in β ladder)trans-69.9114.9174176.90000108.6R198 N199 D200 D201 V203 V223 A234 V236R198-V220 VanDerWaalsContact O-CB 3.32Å; R198-V220 WeakPolarHBondContact O-CB 3.33Å; R198-V220 VanDerWaalsContact O-CG1 3.22Å; R198-V220 WeakPolarHBondContact O-CG1 3.44Å; N199-V220 CarbonylContact C-O 3.59Å; D200-V220 PolarHBondContact N-O 2.81Å; D201-V220 HydrophobicContact CB-CB 4.27Å; D201-V220 HydrophobicContact CB-CG2 4.03Å; D201-V220 PolarHBondContact O-N 3.05Å; V203-V220 HydrophobicContact CG1-CG2 3.82Å; V203-V220 HydrophobicContact CG2-CG2 4.12Å; V220-V223 HydrophobicContact CG1-CG1 3.43Å; V220-V223 VanDerWaalsContact CG1-CG1 3.43Å; V220-A234 HydrophobicContact CG1-CB 4.1Å; V220-V236 HydrophobicContact CG2-CG2 4.31Å
221I93.2Very high87.3Confident69 Ų6950.7 Ų50.735%0.35428%0.281SS..EExtended strand (participates in β ladder)trans-83.2-43.3175.6-62.4162.9000109.9N199 R219 L235 Q237 T242N199-I221 VanDerWaalsContact CG-O 3.27Å; N199-I221 PolarHBondContact OD1-O 2.96Å; R219-I221 PolarHBondContact O-N 3.06Å; I221-L235 HydrophobicContact CB-CB 4.41Å; I221-L235 PolarHBondContact N-O 3.46Å; I221-Q237 HydrophobicContact CD1-CB 3.58Å; I221-Q237 HydrophobicContact CD1-CG 4.19Å; I221-Q237 HydrophobicContact CG1-CB 3.9Å; I221-T242 HydrophobicContact CD1-CG2 3.74Å
222H93Very high87.6Confident85 Ų8552.7 Ų52.739%0.39428%0.278SS..EExtended strand (participates in β ladder)trans-150.8144.3-174.4-16367000111.1N199 F224 A234 L235N199-H222 VanDerWaalsContact OD1-CA 3.27Å; N199-H222 WeakPolarHBondContact OD1-CA 3.39Å; H222-F224 AromaticContact CD2-CE1 3.71Å; H222-F224 AromaticContact CD2-CZ 3.62Å; H222-A234 CarbonylContact O-C 3.41Å; H222-A234 VanDerWaalsContact O-CA 3.25Å; H222-A234 WeakPolarHBondContact O-CA 3.36Å; H222-L235 HydrophobicContact CB-CB 4.15Å; H222-L235 HydrophobicContact CB-CD1 4.1Å; H222-L235 PolarHBondContact N-O 3.39Å; H222-L235 PolarHBondContact O-N 3.29Å
223V94.1Very high88.1Confident27 Ų2755.4 Ų55.416%0.16429%0.291CS..EExtended strand (participates in β ladder)trans-116.5143.7179-640000111.6F197 N199 V220 P225 V231 A234F197-V223 HydrophobicContact CB-CG1 4.09Å; N199-V223 PolarHBondContact OD1-N 2.92Å; V220-V223 HydrophobicContact CG1-CG1 3.43Å; V220-V223 VanDerWaalsContact CG1-CG1 3.43Å; V223-P225 WeakPolarHBondContact O-CD 3.21Å; V223-V231 HydrophobicContact CB-CG1 3.89Å; V223-V231 HydrophobicContact CB-CG2 3.89Å; V223-V231 HydrophobicContact CG1-CG1 4.16Å; V223-V231 HydrophobicContact CG1-CG2 4.45Å; V223-V231 HydrophobicContact CG2-CG2 4.18Å; V223-A234 HydrophobicContact CG1-CB 4.28Å
224F92.4Very high88.9Confident76 Ų7654.3 Ų54.333%0.33328%0.279SS..EExtended strand (participates in β ladder)trans-115.496.5177.9-56.1-89.7000109.3H222 R232 F233 L235 H244H222-F224 AromaticContact CD2-CE1 3.71Å; H222-F224 AromaticContact CD2-CZ 3.62Å; F224-R232 PolarHBondContact O-N 2.99Å; F224-R232 VanDerWaalsContact O-N 3.1Å; F224-F233 HydrophobicContact CB-CB 4.21Å; F224-F233 HydrophobicContact CD2-CB 4.08Å; F224-F233 PolarHBondContact N-O 3.34Å; F224-L235 HydrophobicContact CE2-CB 4.47Å; F224-L235 HydrophobicContact CE2-CD1 4.02Å; F224-L235 HydrophobicContact CE2-CG 3.83Å; F224-L235 HydrophobicContact CZ-CD1 3.79Å; F224-L235 HydrophobicContact CZ-CG 4.1Å; F224-H244 AromaticContact CD2-NE2 3.6Å; F224-H244 AromaticContact CE2-CD2 3.91Å; F224-H244 AromaticContact CE2-NE2 3.22Å; F224-H244 WeakPolarHBondContact CE2-NE2 3.22Å; F224-H244 AromaticContact CZ-NE2 3.8Å
225P90.5Very high89.6Confident80 Ų8051.6 Ų51.652%0.51927%0.269SS..EExtended strand (participates in β ladder)trans-71.5148171.329.9-32.3000111.3V223 I230V223-P225 WeakPolarHBondContact O-CD 3.21Å; P225-I230 CarbonylContact C-O 3.35Å; P225-I230 WeakPolarHBondContact CA-O 2.96Å
226G87.2Confident90Very high18 Ų1850.5 Ų50.519%0.18627%0.265CS..  trans-78.5-178.616500000112.1D228 G229 I230G226-D228 PolarHBondContact O-N 3.44Å; G226-D228 VanDerWaalsContact O-N 3.08Å; G226-G229 WeakPolarHBondContact O-CA 3.43Å; G226-G229 PolarHBondContact O-N 3.02Å; G226-I230 PolarHBondContact N-O 3.2Å
227D86.8Confident90.3Very high177 Ų17753.2 Ų53.295%0.94728%0.278SS*.THydrogen-bonded Turntrans-59.7-21.4177.8-50.8-38.5000113.4G229D227-G229 VanDerWaalsContact C-N 3.3Å
228D87.7Confident90.2Very high84 Ų8453.1 Ų53.145%0.44928%0.277SS..THydrogen-bonded Turntrans-84.71.8174.857.71.9000113.6G226 I230 R232G226-D228 PolarHBondContact O-N 3.44Å; G226-D228 VanDerWaalsContact O-N 3.08Å; D228-I230 HydrophobicContact CB-CG1 4.4Å; D228-I230 PolarHBondContact O-N 3.48Å; D228-I230 WeakPolarHBondContact OD1-CB 3.48Å; D228-I230 PolarHBondContact OD1-N 2.71Å; D228-R232 IonicContact OD1-CZ 3.02Å; D228-R232 IonicContact OD1-NH2 3.76Å; D228-R232 PolarHBondContact OD1-NH2 3.38Å; D228-R232 IonicContact OD2-CZ 3.06Å; D228-R232 IonicContact OD2-NH2 2.72Å; D228-R232 PolarHBondContact OD2-NH2 3.08Å
229G86Confident89.7Confident39 Ų3957.4 Ų57.440%0.40230%0.299SS..SBendtrans75.82.5-175.200000114.4N196 G226 D227N196-G229 PolarHBondContact ND2-O 2.9Å; G226-G229 WeakPolarHBondContact O-CA 3.43Å; G226-G229 PolarHBondContact O-N 3.02Å; D227-G229 VanDerWaalsContact C-N 3.3Å
230I86.6Confident89.2Confident66 Ų6658.2 Ų58.234%0.33832%0.324SS..  trans-88128.2-177.4-58.5179.1000110.1P225 G226 D228 R232P225-I230 CarbonylContact C-O 3.35Å; P225-I230 WeakPolarHBondContact CA-O 2.96Å; G226-I230 PolarHBondContact N-O 3.2Å; D228-I230 HydrophobicContact CB-CG1 4.4Å; D228-I230 PolarHBondContact O-N 3.48Å; D228-I230 WeakPolarHBondContact OD1-CB 3.48Å; D228-I230 PolarHBondContact OD1-N 2.71Å; I230-R232 PolarHBondContact O-N 2.86Å
231V88.5Confident88.9Confident11 Ų1162 Ų627%0.06735%0.347CS..EExtended strand (participates in β ladder)trans-69.1115.6179177.30000110.1N196 F197 V223 F233 A247N196-V231 HydrophobicContact CB-CG2 3.96Å; F197-V231 HydrophobicContact CB-CG1 4.3Å; V223-V231 HydrophobicContact CB-CG1 3.89Å; V223-V231 HydrophobicContact CB-CG2 3.89Å; V223-V231 HydrophobicContact CG1-CG1 4.16Å; V223-V231 HydrophobicContact CG1-CG2 4.45Å; V223-V231 HydrophobicContact CG2-CG2 4.18Å; V231-F233 VanDerWaalsContact CG1-O 3.29Å; V231-F233 WeakPolarHBondContact CG1-O 3.31Å; V231-A247 WeakPolarHBondContact O-CB 3.25Å
232R87Confident88.8Confident120 Ų12062.6 Ų62.645%0.45335%0.354SS..EExtended strand (participates in β ladder)trans-100.9-29177.6-65.2-179.1-173.91392.3112.3F224 D228 I230 P246 A247F224-R232 PolarHBondContact O-N 2.99Å; F224-R232 VanDerWaalsContact O-N 3.1Å; D228-R232 IonicContact OD1-CZ 3.02Å; D228-R232 IonicContact OD1-NH2 3.76Å; D228-R232 PolarHBondContact OD1-NH2 3.38Å; D228-R232 IonicContact OD2-CZ 3.06Å; D228-R232 IonicContact OD2-NH2 2.72Å; D228-R232 PolarHBondContact OD2-NH2 3.08Å; I230-R232 PolarHBondContact O-N 2.86Å; R232-P246 CarbonylContact O-C 3.56Å; R232-P246 VanDerWaalsContact O-CA 3.27Å; R232-P246 WeakPolarHBondContact O-CA 3.39Å; R232-A247 PolarHBondContact O-N 2.95Å
233F91Very high88.7Confident92 Ų9259.8 Ų59.840%0.40434%0.342SS..EExtended strand (participates in β ladder)trans-136.8153.9178.1-63.6-89.5000111.4F224 V231 H244 R245 P246F224-F233 HydrophobicContact CB-CB 4.21Å; F224-F233 HydrophobicContact CD2-CB 4.08Å; F224-F233 PolarHBondContact N-O 3.34Å; V231-F233 VanDerWaalsContact CG1-O 3.29Å; V231-F233 WeakPolarHBondContact CG1-O 3.31Å; F233-H244 AromaticContact CD1-CE1 3.79Å; F233-H244 AromaticContact CD1-ND1 3.8Å; F233-H244 AromaticContact CG-CE1 3.8Å; F233-R245 WeakPolarHBondContact CA-O 3.43Å; F233-P246 HydrophobicContact CD1-CB 4.06Å; F233-P246 HydrophobicContact CE1-CB 3.92Å
234A92.6Very high88.6Confident0 Ų062.8 Ų62.80%035%0.354CS..EExtended strand (participates in β ladder)trans-140.8145.1170.800000110.8V220 H222 V223 V236 R245 L250V220-A234 HydrophobicContact CG1-CB 4.1Å; H222-A234 CarbonylContact O-C 3.41Å; H222-A234 VanDerWaalsContact O-CA 3.25Å; H222-A234 WeakPolarHBondContact O-CA 3.36Å; V223-A234 HydrophobicContact CG1-CB 4.28Å; A234-V236 HydrophobicContact CB-CG2 4.27Å; A234-R245 PolarHBondContact N-O 3.13Å; A234-R245 PolarHBondContact O-N 2.66Å; A234-L250 HydrophobicContact CB-CD1 3.83Å
235L94.6Very high88.6Confident49 Ų4962.4 Ų62.426%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-80.9123.1161.3-80.4165000107.9I221 H222 F224 T242I221-L235 HydrophobicContact CB-CB 4.41Å; I221-L235 PolarHBondContact N-O 3.46Å; H222-L235 HydrophobicContact CB-CB 4.15Å; H222-L235 HydrophobicContact CB-CD1 4.1Å; H222-L235 PolarHBondContact N-O 3.39Å; H222-L235 PolarHBondContact O-N 3.29Å; F224-L235 HydrophobicContact CE2-CB 4.47Å; F224-L235 HydrophobicContact CE2-CD1 4.02Å; F224-L235 HydrophobicContact CE2-CG 3.83Å; F224-L235 HydrophobicContact CZ-CD1 3.79Å; F224-L235 HydrophobicContact CZ-CG 4.1Å; L235-T242 HydrophobicContact CB-CG2 4.41Å; L235-T242 HydrophobicContact CD2-CG2 3.74Å
236V92Very high88.5Confident0 Ų060.6 Ų60.60%034%0.338CS..EExtended strand (participates in β ladder)trans-121.4130.1-178.5-178.80000109V203 V205 R219 V220 A234 T242 I243 L250V203-V236 HydrophobicContact CG2-CG1 3.89Å; V203-V236 HydrophobicContact CG2-CG2 4.23Å; V205-V236 HydrophobicContact CG2-CG1 3.87Å; R219-V236 CarbonylContact O-C 3.59Å; R219-V236 VanDerWaalsContact O-CA 3.3Å; R219-V236 WeakPolarHBondContact O-CA 3.41Å; V220-V236 HydrophobicContact CG2-CG2 4.31Å; A234-V236 HydrophobicContact CB-CG2 4.27Å; V236-T242 WeakPolarHBondContact O-CA 3.36Å; V236-I243 HydrophobicContact CB-CG1 4.25Å; V236-I243 PolarHBondContact N-O 2.84Å; V236-I243 VanDerWaalsContact O-CG1 3.3Å; V236-I243 WeakPolarHBondContact O-CG1 2.94Å; V236-I243 PolarHBondContact O-N 2.84Å; V236-L250 HydrophobicContact CG2-CD1 3.8Å; V236-L250 HydrophobicContact CG2-CD2 3.96Å
237Q91.3Very high88.5Confident63 Ų6360.5 Ų60.529%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-84117.4167.7-156.6171.616.800109G218 R219 I221 T241G218-Q237 CarbonylContact C-O 3.46Å; G218-Q237 WeakPolarHBondContact CA-O 3.43Å; R219-Q237 PolarHBondContact N-O 3.18Å; R219-Q237 PolarHBondContact O-N 3.11Å; I221-Q237 HydrophobicContact CD1-CB 3.58Å; I221-Q237 HydrophobicContact CD1-CG 4.19Å; I221-Q237 HydrophobicContact CG1-CB 3.9Å; Q237-T241 CarbonylContact C-O 3.57Å; Q237-T241 WeakPolarHBondContact CA-O 3.4Å
238A85.9Confident88.5Confident3 Ų356.9 Ų56.93%0.02532%0.32CS..EExtended strand (participates in β ladder)trans-141.7134.4177.900000110.5V205 L217 G240 T241 I243V205-A238 HydrophobicContact CG2-CB 4.49Å; L217-A238 WeakPolarHBondContact O-CB 3.25Å; A238-G240 VanDerWaalsContact C-N 3.27Å; A238-G240 PolarHBondContact O-N 2.84Å; A238-T241 PolarHBondContact N-O 3.28Å; A238-T241 PolarHBondContact O-N 2.9Å; A238-T241 PolarHBondContact O-OG1 3.23Å; A238-I243 HydrophobicContact CB-CD1 4.05Å
239N79.3Confident88.4Confident94 Ų9457.5 Ų57.550%0.50332%0.319SS..THydrogen-bonded Turntrans4942.6179.6-55.8-58.5000113.8T241N239-T241 PolarHBondContact O-N 2.97Å
240G80.7Confident88.5Confident69 Ų6955.7 Ų55.771%0.71130%0.3SS*.THydrogen-bonded Turntrans74.42.4-178.400000115.5A238A238-G240 VanDerWaalsContact C-N 3.27Å; A238-G240 PolarHBondContact O-N 2.84Å
241T86.5Confident88.6Confident80 Ų8052.7 Ų52.749%0.49129%0.285SS..EExtended strand (participates in β ladder)trans-117.6147.8178.661.90000111.3Q237 A238 N239Q237-T241 CarbonylContact C-O 3.57Å; Q237-T241 WeakPolarHBondContact CA-O 3.4Å; A238-T241 PolarHBondContact N-O 3.28Å; A238-T241 PolarHBondContact O-N 2.9Å; A238-T241 PolarHBondContact O-OG1 3.23Å; N239-T241 PolarHBondContact O-N 2.97Å
242T91.1Very high88.7Confident81 Ų8155.5 Ų55.550%0.49730%0.299SS..EExtended strand (participates in β ladder)trans-96.7122.6172.2-60.10000109.3I221 L235 V236I221-T242 HydrophobicContact CD1-CG2 3.74Å; L235-T242 HydrophobicContact CB-CG2 4.41Å; L235-T242 HydrophobicContact CD2-CG2 3.74Å; V236-T242 WeakPolarHBondContact O-CA 3.36Å
243I91Very high88.7Confident27 Ų2751.4 Ų51.414%0.13829%0.286CS..EExtended strand (participates in β ladder)trans-123.9140.1-175.556.2174.8000111.1V205 V236 A238 R245V205-I243 HydrophobicContact CG1-CD1 3.94Å; V205-I243 HydrophobicContact CG2-CD1 4.39Å; V236-I243 HydrophobicContact CB-CG1 4.25Å; V236-I243 PolarHBondContact N-O 2.84Å; V236-I243 VanDerWaalsContact O-CG1 3.3Å; V236-I243 WeakPolarHBondContact O-CG1 2.94Å; V236-I243 PolarHBondContact O-N 2.84Å; A238-I243 HydrophobicContact CB-CD1 4.05Å; I243-R245 HydrophobicContact CD1-CG 4.08Å; I243-R245 HydrophobicContact CG1-CG 4.22Å
244H92.2Very high88.5Confident90 Ų9049.1 Ų49.142%0.41728%0.277SS..EExtended strand (participates in β ladder)trans-85.9128.8171.6-149-104.6000109.6F224 F233F224-H244 AromaticContact CD2-NE2 3.6Å; F224-H244 AromaticContact CE2-CD2 3.91Å; F224-H244 AromaticContact CE2-NE2 3.22Å; F224-H244 WeakPolarHBondContact CE2-NE2 3.22Å; F224-H244 AromaticContact CZ-NE2 3.8Å; F233-H244 AromaticContact CD1-CE1 3.79Å; F233-H244 AromaticContact CD1-ND1 3.8Å; F233-H244 AromaticContact CG-CE1 3.8Å
245R91.1Very high88.2Confident68 Ų6850.4 Ų50.426%0.25729%0.285SS..EExtended strand (participates in β ladder)trans-138.4138.5-179.3-68.1-66.6-179.4-98.22.9111.3V205 E207 F233 A234 I243 L250V205-R245 HydrophobicContact CG1-CG 4.07Å; E207-R245 IonicContact OE1-NH2 3.6Å; E207-R245 PolarHBondContact OE1-NH2 3.08Å; F233-R245 WeakPolarHBondContact CA-O 3.43Å; A234-R245 PolarHBondContact N-O 3.13Å; A234-R245 PolarHBondContact O-N 2.66Å; I243-R245 HydrophobicContact CD1-CG 4.08Å; I243-R245 HydrophobicContact CG1-CG 4.22Å; R245-L250 HydrophobicContact CB-CD1 4.42Å; R245-L250 HydrophobicContact CB-CD2 3.87Å; R245-L250 HydrophobicContact CB-CG 4.22Å; R245-L250 HydrophobicContact CG-CD2 4.32Å
246P90Very high87.7Confident41 Ų4149.5 Ų49.527%0.26629%0.285SS..EExtended strand (participates in β ladder)trans-67.6147.4169.529.5-33.3000109.7R232 F233 T248 K249R232-P246 CarbonylContact O-C 3.56Å; R232-P246 VanDerWaalsContact O-CA 3.27Å; R232-P246 WeakPolarHBondContact O-CA 3.39Å; F233-P246 HydrophobicContact CD1-CB 4.06Å; F233-P246 HydrophobicContact CE1-CB 3.92Å; P246-T248 PolarHBondContact O-N 2.84Å; P246-T248 VanDerWaalsContact O-N 3.09Å; P246-K249 HydrophobicContact CG-CB 4.01Å; P246-K249 HydrophobicContact CG-CG 3.66Å; P246-K249 WeakPolarHBondContact O-CA 3.32Å; P246-K249 WeakPolarHBondContact O-CB 3.49Å; P246-K249 PolarHBondContact O-N 2.87Å
247A87.3Confident86.7Confident17 Ų1753.2 Ų53.214%0.1431%0.305CS..G310 helixtrans-55.2-31.2179.200000112.3F197 V231 R232 K249 L250F197-A247 HydrophobicContact CD2-CB 4.04Å; F197-A247 HydrophobicContact CE2-CB 3.92Å; V231-A247 WeakPolarHBondContact O-CB 3.25Å; R232-A247 PolarHBondContact O-N 2.95Å; A247-K249 PolarHBondContact O-N 3.35Å; A247-K249 VanDerWaalsContact O-N 3.11Å; A247-L250 PolarHBondContact O-N 2.89Å; A247-L250 VanDerWaalsContact O-N 3.09Å
248T85.1Confident85.2Confident100 Ų10054.6 Ų54.661%0.61331%0.314SS*.G310 helixtrans-66.7-8.3174.961.30000114.4M185 M206 P246M185-T248 VanDerWaalsContact CE-O 3.31Å; M185-T248 WeakPolarHBondContact CE-O 3.36Å; M206-T248 WeakPolarHBondContact CE-O 3.41Å; P246-T248 PolarHBondContact O-N 2.84Å; P246-T248 VanDerWaalsContact O-N 3.09Å
249K87.1Confident83.4Confident97 Ų9760.5 Ų60.542%0.42235%0.346SS..G310 helixtrans-109.88.7176.3-67.7-70.4-175.4174.70112.6M206 P246 A247M206-K249 HydrophobicContact CB-CD 4.3Å; M206-K249 WeakPolarHBondContact CB-O 3.29Å; M206-K249 HydrophobicContact CE-CD 4.3Å; M206-K249 WeakPolarHBondContact CG-O 3.48Å; M206-K249 PolarHBondContact N-O 3.37Å; P246-K249 HydrophobicContact CG-CB 4.01Å; P246-K249 HydrophobicContact CG-CG 3.66Å; P246-K249 WeakPolarHBondContact O-CA 3.32Å; P246-K249 WeakPolarHBondContact O-CB 3.49Å; P246-K249 PolarHBondContact O-N 2.87Å; A247-K249 PolarHBondContact O-N 3.35Å; A247-K249 VanDerWaalsContact O-N 3.11Å
250L88.4Confident81.5Confident2 Ų261.8 Ų61.81%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-118140.7178.9-57.8179.6000109.2F197 V203 V205 A234 V236 R245 A247F197-L250 HydrophobicContact CE1-CB 4.18Å; F197-L250 HydrophobicContact CE2-CB 4.07Å; F197-L250 HydrophobicContact CZ-CB 3.67Å; V203-L250 HydrophobicContact CB-CB 4.39Å; V203-L250 HydrophobicContact CG2-CD2 4Å; V205-L250 HydrophobicContact CB-CD2 4.45Å; V205-L250 HydrophobicContact CG1-CD2 4.44Å; V205-L250 HydrophobicContact CG2-CD2 4Å; A234-L250 HydrophobicContact CB-CD1 3.83Å; V236-L250 HydrophobicContact CG2-CD1 3.8Å; V236-L250 HydrophobicContact CG2-CD2 3.96Å; R245-L250 HydrophobicContact CB-CD1 4.42Å; R245-L250 HydrophobicContact CB-CD2 3.87Å; R245-L250 HydrophobicContact CB-CG 4.22Å; R245-L250 HydrophobicContact CG-CD2 4.32Å; A247-L250 PolarHBondContact O-N 2.89Å; A247-L250 VanDerWaalsContact O-N 3.09Å
251C88.6Confident79.3Confident2 Ų265 Ų651%0.01436%0.357CS..EExtended strand (participates in β ladder)trans-122.6123.9170.5-179.40000108.7L184 M185 V203 I204 L253L184-C251 WeakPolarHBondContact CB-SG 3.5Å; M185-C251 HydrophobicContact CG-CB 4.01Å; V203-C251 CarbonylContact C-O 3.51Å; V203-C251 WeakPolarHBondContact CA-O 2.68Å; V203-C251 WeakPolarHBondContact CB-O 3.22Å; I204-C251 HydrophobicContact CB-CB 4.24Å; I204-C251 PolarHBondContact N-O 2.8Å; I204-C251 PolarHBondContact O-N 2.79Å; C251-L253 PolarHBondContact O-N 2.8Å
252L89Confident76.8Confident71 Ų7165.1 Ų65.137%0.37236%0.361SS..EExtended strand (participates in β ladder)trans-62127.3175.9-171.666000109.9F197 D201 V203 E254F197-L252 HydrophobicContact CD1-CD1 4.43Å; F197-L252 HydrophobicContact CE1-CB 4.03Å; F197-L252 HydrophobicContact CE1-CD1 4.44Å; D201-L252 HydrophobicContact CB-CD1 3.76Å; V203-L252 HydrophobicContact CG1-CD1 4.48Å; L252-E254 WeakPolarHBondContact CD1-O 3.3Å
253L88Confident74.1Confident34 Ų3470.3 Ų70.318%0.17838%0.379CS..EExtended strand (participates in β ladder)trans-103.9-46.7171.9-176.666.1000110.3P119 I202 I204 L217 C251P119-L253 HydrophobicContact CB-CD1 4.1Å; P119-L253 HydrophobicContact CB-CD2 4.09Å; I202-L253 HydrophobicContact CG2-CB 4.44Å; I202-L253 HydrophobicContact CG2-CD2 4.27Å; I202-L253 WeakPolarHBondContact O-CA 3.49Å; I202-L253 WeakPolarHBondContact O-CB 3.49Å; I202-L253 PolarHBondContact O-N 2.82Å; I204-L253 HydrophobicContact CD1-CD1 4.45Å; I204-L253 HydrophobicContact CG1-CB 4.45Å; L217-L253 HydrophobicContact CD2-CD2 3.69Å; C251-L253 PolarHBondContact O-N 2.8Å
254E86.3Confident71.1Confident44 Ų4473.5 Ų73.521%0.20641%0.405CS..EExtended strand (participates in β ladder)trans-142.1136.2177.6-177.7166.2-15000110.2Y122 I202 L252Y122-E254 WeakPolarHBondContact CB-OE2 3.27Å; I202-E254 HydrophobicContact CB-CB 4.13Å; I202-E254 HydrophobicContact CG1-CB 4.38Å; I202-E254 PolarHBondContact N-O 2.86Å; I202-E254 PolarHBondContact O-N 2.91Å; I202-E254 VanDerWaalsContact O-N 3.16Å; L252-E254 WeakPolarHBondContact CD1-O 3.3Å
255S87.3Confident68.4Low26 Ų2674.7 Ų74.718%0.18242%0.418CS..  trans-82.2139.1175.546.40000111R195 D201 D257 N258R195-S255 VanDerWaalsContact CZ-CB 3.42Å; D201-S255 WeakPolarHBondContact OD1-CA 3.45Å; S255-D257 PolarHBondContact O-N 3.23Å; S255-N258 PolarHBondContact O-N 2.94Å; S255-N258 PolarHBondContact OG-ND2 2.89Å; S255-N258 PolarHBondContact OG-OD1 3.26Å
256A83.1Confident65.5Low30 Ų3079.3 Ų79.325%0.24844%0.442CS..G310 helixtrans-54.2-22173.200000114.2N199 D200 D201 N258N199-A256 WeakPolarHBondContact O-CB 3.3Å; D200-A256 HydrophobicContact CB-CB 4.01Å; D201-A256 PolarHBondContact OD1-N 3.45Å; A256-N258 PolarHBondContact O-N 2.75Å
257D72.2Confident62.6Low78 Ų7889.5 Ų89.542%0.41748%0.475SS..G310 helixtrans-74-8.6-176.6-52.2-61000113.6R195 R198 S255 D259R195-D257 IonicContact CZ-OD2 3.8Å; R195-D257 IonicContact NE-OD2 3.25Å; R195-D257 PolarHBondContact NE-OD2 2.86Å; R195-D257 IonicContact NH2-OD2 3.77Å; R195-D257 PolarHBondContact NH2-OD2 3.46Å; R198-D257 IonicContact CZ-OD2 3.24Å; R198-D257 VanDerWaalsContact NH1-CG 3.31Å; R198-D257 IonicContact NH1-OD1 2.77Å; R198-D257 PolarHBondContact NH1-OD1 3.3Å; R198-D257 IonicContact NH1-OD2 2.69Å; R198-D257 PolarHBondContact NH1-OD2 3.12Å; S255-D257 PolarHBondContact O-N 3.23Å; D257-D259 VanDerWaalsContact C-N 3.34Å; D257-D259 PolarHBondContact O-N 3.25Å
258N58Low59.9Low92 Ų9293 Ų9349%0.49250%0.504SS..G310 helixtrans-80.6-6.6-176.3-73.8-12.6000115S255 A256 V260S255-N258 PolarHBondContact O-N 2.94Å; S255-N258 PolarHBondContact OG-ND2 2.89Å; S255-N258 PolarHBondContact OG-OD1 3.26Å; A256-N258 PolarHBondContact O-N 2.75Å; N258-V260 VanDerWaalsContact C-N 3.29Å; N258-V260 PolarHBondContact O-N 2.82Å
259D48.9Very low57.5Low128 Ų12891.3 Ų91.368%0.68451%0.507SS*.G310 helixtrans-845.2-178.7-83.3-28.4000114.2D257D257-D259 VanDerWaalsContact C-N 3.34Å; D257-D259 PolarHBondContact O-N 3.25Å
260V40Very low55.2Low120 Ų12094.4 Ų94.473%0.72753%0.528SS*.G310 helixtrans-98.4-13.5-172.7-167.90000114.7N258N258-V260 VanDerWaalsContact C-N 3.29Å; N258-V260 PolarHBondContact O-N 2.82Å
261D34.9Very low52.7Low137 Ų137101.3 Ų101.373%0.73357%0.57SS**SBendtrans-119.17.2-172-78.3-25.7000116.5
262S34.1Very low50.9Low82 Ų82105.6 Ų105.657%0.57361%0.606SS**SBendtrans-98.62.1-176.460.50000115.9
263H32.9Very low48.7Very low190 Ų190113.9 Ų113.988%0.8865%0.65SS**SBendtrans-103.88.5176.2-81.7-57.2000115.7
264S28.8Very low46.7Very low95 Ų95117.9 Ų117.966%0.66467%0.674SS**  trans-122.764.8175.358.30000112.2
265V34.2Very low44.6Very low115 Ų115121.8 Ų121.870%0.69770%0.699SS**SBendtrans-126.697.8168.8-175.20000109.1
266H31.2Very low42.2Very low165 Ų165127.1 Ų127.176%0.76473%0.727SS**  trans43.787.5152.8-63.4-68.4000118.6A268H266-A268 HydrophobicContact CB-CB 4.48Å; H266-A268 PolarHBondContact O-N 3.22Å; H266-A268 VanDerWaalsContact O-N 3.11Å
267R28.5Very low39.8Very low254 Ų254132.8 Ų132.896%0.95876%0.755SS**  trans-72.284.1139.8-76.6-174.7176.8170.4-0.6107.9
268A32.1Very low37.8Very low91 Ų91136.3 Ų136.375%0.75278%0.777SS**  trans-104.293.6165.700000107.1H266H266-A268 HydrophobicContact CB-CB 4.48Å; H266-A268 PolarHBondContact O-N 3.22Å; H266-A268 VanDerWaalsContact O-N 3.11Å
269G33.9Very low36.5Very low65 Ų65139.2 Ų139.267%0.6780%0.796SS**  trans171.536.7-177.400000114.7
270D38Very low35.6Very low161 Ų161140 Ų14086%0.86180%0.804SS**  trans-105.599.1163.7-77.2-31.5000107.9
271V37.4Very low35.2Very low147 Ų147141.5 Ų141.589%0.89181%0.809SS**  trans-86.2110166.1-174.20000105.8
272A49.9Very low35.2Very low93 Ų93141.9 Ų141.977%0.76982%0.816SS**  trans-105.3122.516600000108
273N41.9Very low35.3Very low245 Ų245147.4 Ų147.4100%1.3184%0.838SS**  trans18.10162.5-66.3-20.2000119.5

Retrieved 273 of 273 residues in 209.5 ms (Link to these results)

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