A0A5K4EYM0_SCHMA Loading...

sn-1-specific diacylglycerol lipase ABHD11

AlphaFold DB , UniProt , Accession A0A5K4EYM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 189 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M77.3Confident92.8Very high148 Ų14883.8 Ų83.873%0.72940%0.404SS*.  0-58.20-168.6170.860.100112.2I3 S4 Q5 Y9M1-I3 PolarHBondContact O-N 3.38Å; M1-S4 CarbonylContact O-C 3.58Å; M1-S4 WeakPolarHBondContact O-CA 3.36Å; M1-S4 WeakPolarHBondContact O-CB 3.19Å; M1-S4 PolarHBondContact O-N 2.83Å; M1-Q5 PolarHBondContact O-N 2.81Å; M1-Y9 VanDerWaalsContact CE-OH 3.23Å; M1-Y9 WeakPolarHBondContact CE-OH 3.43Å
2I91.6Very high93.1Very high43 Ų4379 Ų7922%0.22138%0.382CS..G310 helixtrans-56.5-48.4-174.6-65.6161.7000113.4S4 Q5 P6 Y9 L12 F114I2-S4 PolarHBondContact O-N 3.07Å; I2-Q5 CarbonylContact O-C 3.57Å; I2-Q5 PolarHBondContact O-N 2.92Å; I2-P6 VanDerWaalsContact O-CA 3.31Å; I2-P6 WeakPolarHBondContact O-CA 3.48Å; I2-P6 VanDerWaalsContact O-N 3.09Å; I2-Y9 HydrophobicContact CB-CD2 4.35Å; I2-Y9 HydrophobicContact CB-CE2 4.41Å; I2-Y9 HydrophobicContact CG1-CD2 4Å; I2-Y9 HydrophobicContact CG1-CE1 4.43Å; I2-Y9 HydrophobicContact CG1-CE2 3.86Å; I2-Y9 HydrophobicContact CG1-CG 4.37Å; I2-Y9 HydrophobicContact CG2-CD2 4.11Å; I2-L12 HydrophobicContact CD1-CD1 3.5Å; I2-L12 VanDerWaalsContact CD1-CD1 3.5Å; I2-L12 HydrophobicContact CD1-CD2 4Å; I2-L12 HydrophobicContact CD1-CG 4.33Å; I2-L12 HydrophobicContact CG2-CD2 4.34Å; I2-F114 HydrophobicContact CG2-CB 4.4Å; I2-F114 HydrophobicContact CG2-CD1 4.23Å; I2-F114 HydrophobicContact CG2-CD2 3.43Å; I2-F114 VanDerWaalsContact CG2-CD2 3.43Å; I2-F114 HydrophobicContact CG2-CE1 4.35Å; I2-F114 HydrophobicContact CG2-CE2 3.62Å; I2-F114 HydrophobicContact CG2-CG 3.76Å; I2-F114 HydrophobicContact CG2-CZ 4.06Å
3I93Very high93.4Very high12 Ų1275 Ų756%0.06237%0.365CS..G310 helixtrans-64.7-25.8176.8-63164.2000112.2M1 F105 L109 R112 F114 Y140 F141M1-I3 PolarHBondContact O-N 3.38Å; I3-F105 HydrophobicContact CD1-CZ 3.84Å; I3-L109 HydrophobicContact CB-CD1 4.28Å; I3-L109 HydrophobicContact CB-CD2 4.27Å; I3-L109 HydrophobicContact CD1-CD1 3.99Å; I3-L109 HydrophobicContact CG2-CB 4.32Å; I3-L109 HydrophobicContact CG2-CD1 4.43Å; I3-L109 HydrophobicContact CG2-CD2 4.03Å; I3-L109 HydrophobicContact CG2-CG 4.49Å; I3-R112 HydrophobicContact CG2-CB 3.48Å; I3-R112 VanDerWaalsContact CG2-CB 3.48Å; I3-F114 HydrophobicContact CG1-CB 4.38Å; I3-Y140 HydrophobicContact CD1-CD1 4.05Å; I3-Y140 HydrophobicContact CD1-CG 4.2Å; I3-F141 HydrophobicContact CD1-CE1 4.21Å; I3-F141 HydrophobicContact CD1-CE2 4.18Å; I3-F141 HydrophobicContact CD1-CZ 3.66Å; I3-F141 HydrophobicContact CG1-CE1 4.01Å; I3-F141 HydrophobicContact CG1-CZ 3.96Å
4S92Very high93.7Very high54 Ų5471.4 Ų71.438%0.37835%0.35SS..G310 helixtrans-82.2-22.4179.8-450000112.9M1 I2M1-S4 CarbonylContact O-C 3.58Å; M1-S4 WeakPolarHBondContact O-CA 3.36Å; M1-S4 WeakPolarHBondContact O-CB 3.19Å; M1-S4 PolarHBondContact O-N 2.83Å; I2-S4 PolarHBondContact O-N 3.07Å
5Q93.2Very high93.8Very high61 Ų6171.6 Ų71.629%0.28535%0.348SS..SBendtrans-139.660.1-178.1-66.3178.8-17.200109.9M1 I2 E7 R8M1-Q5 PolarHBondContact O-N 2.81Å; I2-Q5 CarbonylContact O-C 3.57Å; I2-Q5 PolarHBondContact O-N 2.92Å; Q5-E7 WeakPolarHBondContact CA-OE2 3.42Å; Q5-E7 PolarHBondContact O-N 2.92Å; Q5-R8 HydrophobicContact CB-CG 4.3Å; Q5-R8 PolarHBondContact O-N 3.46Å
6P94.8Very high93.8Very high44 Ų4467.6 Ų67.629%0.28633%0.329SS..G310 helixtrans-64.6-23.6-171.928.1-36.7000113.2I2 R8 Y9 F114I2-P6 VanDerWaalsContact O-CA 3.31Å; I2-P6 WeakPolarHBondContact O-CA 3.48Å; I2-P6 VanDerWaalsContact O-N 3.09Å; P6-R8 PolarHBondContact O-N 3.1Å; P6-Y9 PolarHBondContact O-N 2.68Å; P6-F114 HydrophobicContact CB-CD2 3.73Å; P6-F114 HydrophobicContact CB-CE2 4.38Å
7E95Very high93.8Very high137 Ų13767.7 Ų67.764%0.6433%0.331SS*.G310 helixtrans-67.3-12.4-179.573.5-69.4164.100114.5Q5Q5-E7 WeakPolarHBondContact CA-OE2 3.42Å; Q5-E7 PolarHBondContact O-N 2.92Å
8R96Very high93.8Very high163 Ų16364.5 Ų64.562%0.61532%0.316SS*.G310 helixtrans-91.1-5.7-176.4-62.3-175.2179.3-148.9-3.6114.3Q5 P6Q5-R8 HydrophobicContact CB-CG 4.3Å; Q5-R8 PolarHBondContact O-N 3.46Å; P6-R8 PolarHBondContact O-N 3.1Å
9Y96.2Very high93.8Very high71 Ų7161.6 Ų61.628%0.27830%0.302SS..  trans-138128-170.4-51.9-86.7000110.9M1 I2 P6 F114M1-Y9 VanDerWaalsContact CE-OH 3.23Å; M1-Y9 WeakPolarHBondContact CE-OH 3.43Å; I2-Y9 HydrophobicContact CB-CD2 4.35Å; I2-Y9 HydrophobicContact CB-CE2 4.41Å; I2-Y9 HydrophobicContact CG1-CD2 4Å; I2-Y9 HydrophobicContact CG1-CE1 4.43Å; I2-Y9 HydrophobicContact CG1-CE2 3.86Å; I2-Y9 HydrophobicContact CG1-CG 4.37Å; I2-Y9 HydrophobicContact CG2-CD2 4.11Å; P6-Y9 PolarHBondContact O-N 2.68Å; Y9-F114 WeakPolarHBondContact O-CE2 3.43Å; Y9-F114 WeakPolarHBondContact O-CZ 3.35Å
10D95Very high93.7Very high134 Ų13461.4 Ų61.472%0.71731%0.305SS*.SBendtrans-86.5-29.1178.2-62.1-56.6000113.3Q116D10-Q116 WeakPolarHBondContact O-CB 3.43Å
11K96.4Very high93.6Very high55 Ų5561.1 Ų61.124%0.23931%0.308CS..  trans-149.3155-176.6-67-173.1178179.60110.4P117 F171 M172 D174K11-P117 WeakPolarHBondContact CA-O 3.31Å; K11-P117 HydrophobicContact CG-CB 4.37Å; K11-F171 HydrophobicContact CB-CE1 3.89Å; K11-F171 HydrophobicContact CB-CZ 4.21Å; K11-F171 HydrophobicContact CD-CE1 4.21Å; K11-F171 HydrophobicContact CD-CZ 4.35Å; K11-F171 WeakPolarHBondContact CD-O 3.37Å; K11-F171 HydrophobicContact CG-CE1 4.42Å; K11-F171 HydrophobicContact CG-CZ 4.42Å; K11-F171 PolarHBondContact NZ-O 2.86Å; K11-M172 HydrophobicContact CB-SD 4.05Å; K11-M172 HydrophobicContact CD-SD 4.23Å; K11-M172 PolarHBondContact NZ-O 2.95Å; K11-D174 PolarHBondContact NZ-O 2.99Å
12L97Very high94.3Very high26 Ų2655.3 Ų55.314%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-138139.2177.117661.1000111.2I2 V14 F114 P117 V118 L119 F141 F171I2-L12 HydrophobicContact CD1-CD1 3.5Å; I2-L12 VanDerWaalsContact CD1-CD1 3.5Å; I2-L12 HydrophobicContact CD1-CD2 4Å; I2-L12 HydrophobicContact CD1-CG 4.33Å; I2-L12 HydrophobicContact CG2-CD2 4.34Å; L12-V14 HydrophobicContact CD1-CG2 4.23Å; L12-V14 HydrophobicContact CD2-CG2 3.72Å; L12-V14 HydrophobicContact CG-CG2 3.73Å; L12-F114 HydrophobicContact CB-CE1 3.81Å; L12-F114 HydrophobicContact CB-CZ 4.46Å; L12-P117 PolarHBondContact N-O 3.03Å; L12-P117 VanDerWaalsContact N-O 3.13Å; L12-V118 HydrophobicContact CB-CB 4.46Å; L12-V118 HydrophobicContact CB-CG1 3.99Å; L12-V118 HydrophobicContact CB-CG2 4.07Å; L12-V118 HydrophobicContact CD2-CG1 3.98Å; L12-V118 HydrophobicContact CD2-CG2 4.38Å; L12-V118 HydrophobicContact CG-CG1 3.96Å; L12-V118 CarbonylContact O-C 3.52Å; L12-V118 VanDerWaalsContact O-CA 3.28Å; L12-V118 WeakPolarHBondContact O-CA 3.31Å; L12-L119 PolarHBondContact O-N 2.9Å; L12-F141 HydrophobicContact CD2-CD1 4.43Å; L12-F141 HydrophobicContact CD2-CE1 3.79Å; L12-F141 HydrophobicContact CD2-CZ 4.33Å; L12-F171 WeakPolarHBondContact O-CE1 3.47Å
13V97.1Very high94.2Very high27 Ų2758 Ų5816%0.16430%0.298CS..EExtended strand (participates in β ladder)trans-116.8132.1166.6-176.50000108.8F15 L119 V121 I168 F171 M172V13-F15 HydrophobicContact CG1-CD2 4.43Å; V13-F15 HydrophobicContact CG1-CE1 4.27Å; V13-F15 HydrophobicContact CG1-CE2 3.77Å; V13-F15 HydrophobicContact CG1-CZ 3.66Å; V13-L119 CarbonylContact C-O 3.21Å; V13-L119 VanDerWaalsContact CA-O 3.27Å; V13-L119 WeakPolarHBondContact CA-O 3.34Å; V13-L119 HydrophobicContact CG2-CB 4.33Å; V13-V121 HydrophobicContact CG1-CG2 4.27Å; V13-I168 HydrophobicContact CG1-CG1 4.41Å; V13-F171 HydrophobicContact CG2-CD1 3.53Å; V13-F171 HydrophobicContact CG2-CE1 3.78Å; V13-M172 HydrophobicContact CG2-CE 3.64Å
14V96.7Very high93.9Very high25 Ų2559.5 Ų59.515%0.15231%0.309CS..EExtended strand (participates in β ladder)trans-124.4124.8-179.1-1760000109.3L12 I17 V118 L119 F120 V121L12-V14 HydrophobicContact CD1-CG2 4.23Å; L12-V14 HydrophobicContact CD2-CG2 3.72Å; L12-V14 HydrophobicContact CG-CG2 3.73Å; V14-I17 HydrophobicContact CG1-CG2 3.43Å; V14-I17 VanDerWaalsContact CG1-CG2 3.43Å; V14-V118 HydrophobicContact CG2-CG1 4.13Å; V14-L119 PolarHBondContact N-O 3.4Å; V14-F120 HydrophobicContact CB-CD1 3.63Å; V14-F120 HydrophobicContact CB-CE1 3.68Å; V14-F120 HydrophobicContact CB-CG 4.11Å; V14-F120 HydrophobicContact CB-CZ 4.18Å; V14-F120 HydrophobicContact CG1-CD1 3.73Å; V14-F120 HydrophobicContact CG1-CE1 3.57Å; V14-F120 HydrophobicContact CG1-CZ 4.39Å; V14-F120 HydrophobicContact CG2-CD1 4.32Å; V14-F120 HydrophobicContact CG2-CE1 3.96Å; V14-F120 HydrophobicContact CG2-CE2 4.39Å; V14-F120 HydrophobicContact CG2-CZ 3.97Å; V14-F120 CarbonylContact O-C 3.55Å; V14-F120 WeakPolarHBondContact O-CA 3.23Å; V14-V121 PolarHBondContact O-N 3.19Å
15F95.8Very high93.6Very high74 Ų7457.9 Ų57.933%0.32530%0.295SS..EExtended strand (participates in β ladder)trans-99.8122.8-178.4-72-70.5000112V13 I17 V121 V156 V164 I168V13-F15 HydrophobicContact CG1-CD2 4.43Å; V13-F15 HydrophobicContact CG1-CE1 4.27Å; V13-F15 HydrophobicContact CG1-CE2 3.77Å; V13-F15 HydrophobicContact CG1-CZ 3.66Å; F15-I17 PolarHBondContact O-N 2.71Å; F15-V121 HydrophobicContact CD1-CB 3.7Å; F15-V121 HydrophobicContact CD1-CG1 4.06Å; F15-V121 HydrophobicContact CD1-CG2 4.23Å; F15-V121 HydrophobicContact CE1-CB 3.78Å; F15-V121 HydrophobicContact CE1-CG1 4.01Å; F15-V121 HydrophobicContact CE1-CG2 3.85Å; F15-V156 HydrophobicContact CB-CG2 4.48Å; F15-V156 HydrophobicContact CD1-CG2 3.48Å; F15-V156 VanDerWaalsContact CD1-CG2 3.48Å; F15-V156 HydrophobicContact CE1-CG2 4.14Å; F15-V156 HydrophobicContact CG-CG2 4.33Å; F15-V164 HydrophobicContact CE1-CG1 3.61Å; F15-V164 HydrophobicContact CE1-CG2 4.24Å; F15-V164 HydrophobicContact CZ-CG1 3.59Å; F15-I168 HydrophobicContact CE2-CD1 4.23Å; F15-I168 HydrophobicContact CZ-CD1 3.75Å; F15-I168 HydrophobicContact CZ-CG1 3.95Å
16D93.1Very high93.2Very high8 Ų859.6 Ų59.64%0.04330%0.304CS..SBendtrans43.942.5164.6-159.947.6000114.9V121 A123 Y128 H154D16-V121 WeakPolarHBondContact CA-O 3.46Å; D16-V121 PolarHBondContact N-O 3.35Å; D16-A123 PolarHBondContact OD1-N 2.94Å; D16-Y128 WeakPolarHBondContact O-CB 3.33Å; D16-Y128 VanDerWaalsContact O-CD2 3.29Å; D16-Y128 WeakPolarHBondContact O-CD2 3.24Å; D16-Y128 WeakPolarHBondContact OD2-CD2 3.23Å; D16-H154 VanDerWaalsContact OD2-CA 3.31Å; D16-H154 WeakPolarHBondContact OD2-CA 3.32Å; D16-H154 IonicContact OD2-CE1 2.68Å; D16-H154 IonicContact OD2-CG 3.77Å; D16-H154 IonicContact OD2-ND1 2.61Å; D16-H154 PolarHBondContact OD2-ND1 3.3Å
17I94.4Very high92.8Very high69 Ų6961.1 Ų61.135%0.35432%0.315SS..  trans-145.2140.7176-167.763.3000110.4V14 F15 I25V14-I17 HydrophobicContact CG1-CG2 3.43Å; V14-I17 VanDerWaalsContact CG1-CG2 3.43Å; F15-I17 PolarHBondContact O-N 2.71Å; I17-I25 HydrophobicContact CD1-CD1 3.18Å
18S93.5Very high92.5Very high10 Ų1056.9 Ų56.97%0.0730%0.297CS..  trans-98166.2175.9176.40000111.3T20 Y128 D133S18-T20 PolarHBondContact O-N 3.34Å; S18-T20 PolarHBondContact OG-N 3.39Å; S18-Y128 VanDerWaalsContact CB-O 3.23Å; S18-Y128 WeakPolarHBondContact CB-O 3.47Å; S18-Y128 PolarHBondContact N-O 3.43Å; S18-D133 WeakPolarHBondContact CB-OD1 3.41Å; S18-D133 WeakPolarHBondContact OG-CB 3.31Å; S18-D133 PolarHBondContact OG-OD1 3.4Å
19T93.4Very high92.3Very high9 Ų951.2 Ų51.26%0.05528%0.282CS..SBendtrans-784.1168570000112.9F105 A136 V137 Y140 F141T19-F105 HydrophobicContact CG2-CD2 4.36Å; T19-F105 HydrophobicContact CG2-CE2 3.69Å; T19-F105 HydrophobicContact CG2-CZ 3.79Å; T19-F105 WeakPolarHBondContact O-CB 3.14Å; T19-F105 WeakPolarHBondContact O-CG 2.79Å; T19-A136 PolarHBondContact OG1-O 3.24Å; T19-A136 VanDerWaalsContact OG1-O 3.1Å; T19-V137 HydrophobicContact CG2-CG2 4.42Å; T19-V137 PolarHBondContact OG1-N 2.95Å; T19-Y140 HydrophobicContact CG2-CD2 4.08Å; T19-F141 HydrophobicContact CG2-CD2 3.99Å; T19-F141 HydrophobicContact CG2-CE2 3.6Å
20T92.4Very high92.1Very high57 Ų5751.5 Ų51.535%0.3529%0.293SS..SBendtrans-115132.6176.8-57.60000110S18 K22 A136S18-T20 PolarHBondContact O-N 3.34Å; S18-T20 PolarHBondContact OG-N 3.39Å; T20-K22 PolarHBondContact O-N 3.19Å; T20-A136 WeakPolarHBondContact OG1-CB 3.37Å
21P91.7Very high92Very high57 Ų5746.4 Ų46.437%0.3727%0.265SS..  trans-55.9134.5175-23.133000111.3
22K91.4Very high92Very high25 Ų2544.4 Ų44.411%0.10926%0.257CS..  trans-106.8129.6-176.9-64.8-59.1-157.7-179.80111.8T20 T24 I25 Q26 Y128 D133T20-K22 PolarHBondContact O-N 3.19Å; K22-T24 PolarHBondContact O-N 3.28Å; K22-I25 HydrophobicContact CB-CB 4.34Å; K22-I25 HydrophobicContact CB-CD1 3.98Å; K22-I25 HydrophobicContact CB-CG1 3.95Å; K22-I25 HydrophobicContact CG-CD1 4.32Å; K22-I25 PolarHBondContact O-N 3.25Å; K22-Q26 PolarHBondContact O-N 3.23Å; K22-Y128 WeakPolarHBondContact CE-O 3.24Å; K22-D133 VanDerWaalsContact CE-OD1 3.31Å; K22-D133 WeakPolarHBondContact CE-OD1 3.36Å; K22-D133 WeakPolarHBondContact CE-OD2 3.47Å; K22-D133 IonicContact NZ-OD1 3.16Å; K22-D133 PolarHBondContact NZ-OD1 2.95Å; K22-D133 IonicContact NZ-OD2 2.73Å; K22-D133 PolarHBondContact NZ-OD2 3.16Å
23P89.4Confident91.9Very high99 Ų9946.2 Ų46.264%0.64327%0.267SS*.Hα-helixtrans-55.3-37.2174.8-26.834.7000113I25 Q26 S27P23-I25 VanDerWaalsContact C-N 3.3Å; P23-I25 PolarHBondContact O-N 3.23Å; P23-Q26 PolarHBondContact O-N 3.3Å; P23-S27 PolarHBondContact O-N 2.71Å
24T86.6Confident91.9Very high45 Ų4546 Ų4628%0.27627%0.265SS..Hα-helixtrans-63.4-35.2177.8-49.50000112.1K22 S27 Y128K22-T24 PolarHBondContact O-N 3.28Å; T24-S27 PolarHBondContact O-OG 3.32Å; T24-Y128 HydrophobicContact CG2-CE1 3.68Å
25I86.8Confident91.9Very high19 Ų1945.3 Ų45.310%0.09726%0.26CS..Hα-helixtrans-72.1-43.6173.9-60.6176.3000109.8I17 K22 P23 S27 L28 W99 T103 Y128I17-I25 HydrophobicContact CD1-CD1 3.18Å; K22-I25 HydrophobicContact CB-CB 4.34Å; K22-I25 HydrophobicContact CB-CD1 3.98Å; K22-I25 HydrophobicContact CB-CG1 3.95Å; K22-I25 HydrophobicContact CG-CD1 4.32Å; K22-I25 PolarHBondContact O-N 3.25Å; P23-I25 VanDerWaalsContact C-N 3.3Å; P23-I25 PolarHBondContact O-N 3.23Å; I25-S27 PolarHBondContact O-N 2.94Å; I25-L28 VanDerWaalsContact O-CB 3.29Å; I25-L28 WeakPolarHBondContact O-CB 3.37Å; I25-L28 WeakPolarHBondContact O-CG 3.33Å; I25-L28 PolarHBondContact O-N 2.82Å; I25-W99 WeakPolarHBondContact O-CZ2 2.89Å; I25-T103 HydrophobicContact CG2-CG2 3.53Å; I25-Y128 HydrophobicContact CB-CE1 4.5Å; I25-Y128 HydrophobicContact CD1-CD1 4Å; I25-Y128 HydrophobicContact CD1-CD2 4.12Å; I25-Y128 HydrophobicContact CD1-CE1 4.18Å; I25-Y128 HydrophobicContact CD1-CE2 4.28Å; I25-Y128 HydrophobicContact CD1-CG 3.99Å; I25-Y128 HydrophobicContact CG1-CD1 3.6Å; I25-Y128 HydrophobicContact CG1-CD2 4.19Å; I25-Y128 HydrophobicContact CG1-CE1 3.33Å; I25-Y128 HydrophobicContact CG1-CE2 3.94Å; I25-Y128 HydrophobicContact CG1-CG 4.05Å
26Q85.2Confident91.9Very high98 Ų9844.1 Ų44.146%0.45826%0.261SS..Hα-helixtrans-58.8-33.3176.8-68.1-162.82500112.6K22 P23 L28 S29K22-Q26 PolarHBondContact O-N 3.23Å; P23-Q26 PolarHBondContact O-N 3.3Å; Q26-L28 PolarHBondContact O-N 2.95Å; Q26-L28 VanDerWaalsContact O-N 3.09Å; Q26-S29 PolarHBondContact O-N 2.86Å
27S86.1Confident92.1Very high76 Ų7648 Ų4853%0.53129%0.289SS..THydrogen-bonded Turntrans-67.6-2.2176.274.50000114.9P23 T24 I25 P30P23-S27 PolarHBondContact O-N 2.71Å; T24-S27 PolarHBondContact O-OG 3.32Å; I25-S27 PolarHBondContact O-N 2.94Å; S27-P30 WeakPolarHBondContact O-CD 3.2Å
28L89Confident92.2Very high48 Ų4845.9 Ų45.925%0.25128%0.278SS..THydrogen-bonded Turntrans-82.6-10.2172.4-59.5174.5000113.2I25 Q26 P30 I31 M71 W99I25-L28 VanDerWaalsContact O-CB 3.29Å; I25-L28 WeakPolarHBondContact O-CB 3.37Å; I25-L28 WeakPolarHBondContact O-CG 3.33Å; I25-L28 PolarHBondContact O-N 2.82Å; Q26-L28 PolarHBondContact O-N 2.95Å; Q26-L28 VanDerWaalsContact O-N 3.09Å; L28-P30 VanDerWaalsContact C-N 3.33Å; L28-I31 HydrophobicContact CD2-CD1 3.83Å; L28-I31 VanDerWaalsContact O-CB 3.29Å; L28-I31 WeakPolarHBondContact O-CB 3.49Å; L28-I31 PolarHBondContact O-N 3.06Å; L28-M71 HydrophobicContact CD2-CE 4.37Å; L28-W99 HydrophobicContact CB-CH2 3.89Å; L28-W99 HydrophobicContact CB-CZ2 3.96Å
29S90.5Very high92.4Very high43 Ų4350.1 Ų50.130%0.30130%0.3SS..Hα-helixtrans-51.7-40.1177-178.70000114.6Q26 I31 I32 N33Q26-S29 PolarHBondContact O-N 2.86Å; S29-I31 PolarHBondContact O-N 2.94Å; S29-I32 WeakPolarHBondContact O-CB 3.24Å; S29-I32 PolarHBondContact O-N 2.93Å; S29-I32 VanDerWaalsContact O-N 3.07Å; S29-N33 PolarHBondContact O-N 3.47Å
30P92.4Very high92.6Very high78 Ų7850.3 Ų50.351%0.50630%0.301SS..Hα-helixtrans-57.4-30.4173.3-25.636.7000114.2S27 L28 N33 L34S27-P30 WeakPolarHBondContact O-CD 3.2Å; L28-P30 VanDerWaalsContact C-N 3.33Å; P30-N33 PolarHBondContact O-N 2.89Å; P30-L34 WeakPolarHBondContact O-CB 3.28Å; P30-L34 PolarHBondContact O-N 2.83Å
31I94.2Very high92.8Very high27 Ų2755.1 Ų55.114%0.13832%0.317CS..Hα-helixtrans-67.7-39.8176.3-61.5179.5000110.5L28 S29 N33 L34 M35 V66 M71 L75L28-I31 HydrophobicContact CD2-CD1 3.83Å; L28-I31 VanDerWaalsContact O-CB 3.29Å; L28-I31 WeakPolarHBondContact O-CB 3.49Å; L28-I31 PolarHBondContact O-N 3.06Å; S29-I31 PolarHBondContact O-N 2.94Å; I31-N33 VanDerWaalsContact C-N 3.29Å; I31-N33 PolarHBondContact O-N 3.32Å; I31-L34 WeakPolarHBondContact O-CB 3.46Å; I31-L34 PolarHBondContact O-N 3.47Å; I31-M35 HydrophobicContact CG2-CG 4.48Å; I31-M35 HydrophobicContact CG2-SD 4.35Å; I31-M35 WeakPolarHBondContact O-CG 3.31Å; I31-M35 PolarHBondContact O-N 3.41Å; I31-V66 HydrophobicContact CG1-CG2 4.34Å; I31-M71 HydrophobicContact CD1-CE 3.68Å; I31-L75 HydrophobicContact CG2-CD1 3.52Å; I31-L75 HydrophobicContact CG2-CD2 3.64Å; I31-L75 HydrophobicContact CG2-CG 4.24Å
32I94.6Very high93Very high13 Ų1354.9 Ų54.97%0.06732%0.32CS..Hα-helixtrans-63-40.9175.7-64.3160.8000110.3S29 M35 S36 I95 K96 W99S29-I32 WeakPolarHBondContact O-CB 3.24Å; S29-I32 PolarHBondContact O-N 2.93Å; S29-I32 VanDerWaalsContact O-N 3.07Å; I32-M35 PolarHBondContact O-N 3.13Å; I32-S36 WeakPolarHBondContact O-CB 3.45Å; I32-S36 PolarHBondContact O-N 3.07Å; I32-S36 PolarHBondContact O-OG 3.1Å; I32-I95 HydrophobicContact CD1-CG2 3.54Å; I32-I95 HydrophobicContact CG1-CG2 4.07Å; I32-K96 HydrophobicContact CG2-CB 4.19Å; I32-W99 HydrophobicContact CD1-CD2 3.79Å; I32-W99 HydrophobicContact CD1-CE3 3.25Å; I32-W99 HydrophobicContact CD1-CH2 3.73Å; I32-W99 HydrophobicContact CD1-CZ2 4.19Å; I32-W99 HydrophobicContact CD1-CZ3 3.24Å; I32-W99 HydrophobicContact CG1-CZ3 4.48Å
33N95Very high93.3Very high64 Ų6454.6 Ų54.634%0.34232%0.32SS..Hα-helixtrans-65.5-40.7175.8-68.8-38.8000111.8S29 P30 I31 S36 S37 K96S29-N33 PolarHBondContact O-N 3.47Å; P30-N33 PolarHBondContact O-N 2.89Å; I31-N33 VanDerWaalsContact C-N 3.29Å; I31-N33 PolarHBondContact O-N 3.32Å; N33-S36 PolarHBondContact O-N 3.22Å; N33-S37 WeakPolarHBondContact O-CB 3.38Å; N33-S37 PolarHBondContact O-N 2.83Å; N33-S37 PolarHBondContact O-OG 3.26Å; N33-K96 PolarHBondContact OD1-NZ 3.04Å
34L96.8Very high93.7Very high23 Ų2350.1 Ų50.112%0.1229%0.291CS..Hα-helixtrans-59.9-46.9174.2177.868.1000111.8P30 I31 S36 S37 W62 T65 V66P30-L34 WeakPolarHBondContact O-CB 3.28Å; P30-L34 PolarHBondContact O-N 2.83Å; I31-L34 WeakPolarHBondContact O-CB 3.46Å; I31-L34 PolarHBondContact O-N 3.47Å; L34-S36 VanDerWaalsContact C-N 3.3Å; L34-S36 PolarHBondContact O-N 3.21Å; L34-S37 PolarHBondContact O-N 3.5Å; L34-S37 PolarHBondContact O-OG 2.82Å; L34-W62 HydrophobicContact CD2-CB 4.35Å; L34-W62 HydrophobicContact CD2-CD2 3.86Å; L34-W62 HydrophobicContact CD2-CE3 4.35Å; L34-W62 HydrophobicContact CD2-CG 3.88Å; L34-W62 HydrophobicContact CG-CD2 4.29Å; L34-W62 HydrophobicContact CG-CG 4.44Å; L34-W62 HydrophobicContact CG-CZ2 4.21Å; L34-T65 HydrophobicContact CD1-CG2 4.4Å; L34-T65 HydrophobicContact CD2-CG2 3.85Å; L34-V66 HydrophobicContact CD2-CG2 3.79Å
35M97.8Very high94.1Very high9 Ų955.2 Ų55.24%0.04431%0.312CS..Hα-helixtrans-62.5-41.4177-66.5177.775.800111.1I31 I32 S37 V38 W62 L75 N78 W88 L92I31-M35 HydrophobicContact CG2-CG 4.48Å; I31-M35 HydrophobicContact CG2-SD 4.35Å; I31-M35 WeakPolarHBondContact O-CG 3.31Å; I31-M35 PolarHBondContact O-N 3.41Å; I32-M35 PolarHBondContact O-N 3.13Å; M35-S37 VanDerWaalsContact C-N 3.3Å; M35-S37 PolarHBondContact O-N 3.32Å; M35-V38 PolarHBondContact O-N 3.4Å; M35-W62 HydrophobicContact CG-CH2 3.92Å; M35-L75 HydrophobicContact SD-CD2 3.89Å; M35-N78 HydrophobicContact CE-CB 4.16Å; M35-W88 HydrophobicContact CB-CZ2 4.12Å; M35-W88 HydrophobicContact CE-CD2 4.16Å; M35-W88 HydrophobicContact CE-CE3 3.61Å; M35-W88 HydrophobicContact CE-CH2 4.05Å; M35-W88 HydrophobicContact CE-CZ3 3.55Å; M35-W88 HydrophobicContact CG-CH2 4.48Å; M35-W88 HydrophobicContact CG-CZ2 4.46Å; M35-W88 PolarHBondContact O-NE1 2.89Å; M35-L92 HydrophobicContact CB-CD1 3.73Å; M35-L92 HydrophobicContact CB-CD2 4.23Å; M35-L92 HydrophobicContact CE-CD2 4.06Å; M35-L92 HydrophobicContact SD-CD2 4.23Å
36S96.2Very high94.6Very high50 Ų5060.8 Ų60.835%0.3534%0.335SS..Hα-helixtrans-71.2-22.3-179.2-55.10000113.5I32 N33 L34 V38I32-S36 WeakPolarHBondContact O-CB 3.45Å; I32-S36 PolarHBondContact O-N 3.07Å; I32-S36 PolarHBondContact O-OG 3.1Å; N33-S36 PolarHBondContact O-N 3.22Å; L34-S36 VanDerWaalsContact C-N 3.3Å; L34-S36 PolarHBondContact O-N 3.21Å; S36-V38 VanDerWaalsContact C-N 3.32Å
37S96.3Very high95.2Very high90 Ų9058.1 Ų58.163%0.62932%0.321SS*.THydrogen-bonded Turntrans-81.1-9.6179.363.20000114N33 L34 M35 D39N33-S37 WeakPolarHBondContact O-CB 3.38Å; N33-S37 PolarHBondContact O-N 2.83Å; N33-S37 PolarHBondContact O-OG 3.26Å; L34-S37 PolarHBondContact O-N 3.5Å; L34-S37 PolarHBondContact O-OG 2.82Å; M35-S37 VanDerWaalsContact C-N 3.3Å; M35-S37 PolarHBondContact O-N 3.32Å; S37-D39 PolarHBondContact O-N 3.37Å
38V97.5Very high95.6Very high23 Ų2361.9 Ų61.914%0.13934%0.335CS..  trans-76.8119.7179.6-176.90000110.6M35 S36 L40 L43 L58 W62 W88M35-V38 PolarHBondContact O-N 3.4Å; S36-V38 VanDerWaalsContact C-N 3.32Å; V38-L40 VanDerWaalsContact C-N 3.32Å; V38-L40 HydrophobicContact CB-CD2 4.43Å; V38-L40 HydrophobicContact CB-CG 4.5Å; V38-L40 HydrophobicContact CG1-CD2 3.56Å; V38-L40 HydrophobicContact CG1-CG 3.98Å; V38-L40 PolarHBondContact O-N 2.88Å; V38-L43 HydrophobicContact CG1-CD2 4.09Å; V38-L58 HydrophobicContact CG1-CD1 4.35Å; V38-L58 HydrophobicContact CG1-CD2 4.02Å; V38-L58 HydrophobicContact CG2-CD2 4.01Å; V38-W62 HydrophobicContact CG2-CZ2 3.64Å; V38-W88 HydrophobicContact CB-CZ2 4.41Å; V38-W88 HydrophobicContact CG2-CZ2 4.36Å
39D97Very high96Very high99 Ų9960 Ų6053%0.52933%0.328SS..  trans-76.284.8166.1-172.4-13.2000110.1S37 K41 A42 L43S37-D39 PolarHBondContact O-N 3.37Å; D39-K41 PolarHBondContact O-N 3.39Å; D39-K41 WeakPolarHBondContact OD1-CB 3.27Å; D39-K41 PolarHBondContact OD1-N 2.7Å; D39-K41 VanDerWaalsContact OD1-N 3.14Å; D39-A42 HydrophobicContact CB-CB 4.08Å; D39-A42 VanDerWaalsContact CG-CB 3.44Å; D39-A42 PolarHBondContact O-N 3.36Å; D39-A42 PolarHBondContact OD1-N 3.42Å; D39-A42 WeakPolarHBondContact OD2-CB 3.33Å; D39-L43 WeakPolarHBondContact O-CB 3.35Å; D39-L43 PolarHBondContact O-N 2.96Å
40L97.7Very high96.2Very high13 Ų1361.7 Ų61.77%0.06833%0.333CS..Hα-helixtrans-65.9-22.1179.4-70.4179.2000113.2V38 G44 V54 L58 L79 I86 W88V38-L40 VanDerWaalsContact C-N 3.32Å; V38-L40 HydrophobicContact CB-CD2 4.43Å; V38-L40 HydrophobicContact CB-CG 4.5Å; V38-L40 HydrophobicContact CG1-CD2 3.56Å; V38-L40 HydrophobicContact CG1-CG 3.98Å; V38-L40 PolarHBondContact O-N 2.88Å; L40-G44 WeakPolarHBondContact O-CA 3.28Å; L40-G44 PolarHBondContact O-N 3.3Å; L40-V54 HydrophobicContact CD2-CG1 4.31Å; L40-L58 HydrophobicContact CD2-CD1 4.48Å; L40-L79 HydrophobicContact CD1-CD2 3.75Å; L40-L79 HydrophobicContact CD2-CD2 3.61Å; L40-L79 HydrophobicContact CG-CD2 4.37Å; L40-I86 WeakPolarHBondContact CB-O 3.36Å; L40-I86 HydrophobicContact CD1-CG2 4.43Å; L40-I86 HydrophobicContact CD2-CG2 4.12Å; L40-W88 HydrophobicContact CD1-CD2 3.94Å; L40-W88 HydrophobicContact CD1-CG 3.8Å; L40-W88 HydrophobicContact CD1-CZ2 4.42Å
41K95.9Very high96.5Very high158 Ų15859.2 Ų59.269%0.68732%0.316SS*.Hα-helixtrans-70.7-50.5174.8-68.9-172.7175.6-170.90110D39 L43 G44 H45D39-K41 PolarHBondContact O-N 3.39Å; D39-K41 WeakPolarHBondContact OD1-CB 3.27Å; D39-K41 PolarHBondContact OD1-N 2.7Å; D39-K41 VanDerWaalsContact OD1-N 3.14Å; K41-L43 PolarHBondContact O-N 3.44Å; K41-G44 PolarHBondContact O-N 3.37Å; K41-H45 WeakPolarHBondContact O-CB 3.33Å; K41-H45 PolarHBondContact O-N 3.5Å
42A97.1Very high96.6Very high52 Ų5259.3 Ų59.343%0.4332%0.323SS..Hα-helixtrans-62.7-43.4176.500000111.8D39 H45 K46D39-A42 HydrophobicContact CB-CB 4.08Å; D39-A42 VanDerWaalsContact CG-CB 3.44Å; D39-A42 PolarHBondContact O-N 3.36Å; D39-A42 PolarHBondContact OD1-N 3.42Å; D39-A42 WeakPolarHBondContact OD2-CB 3.33Å; A42-H45 PolarHBondContact O-N 2.97Å; A42-K46 WeakPolarHBondContact O-CB 3.47Å; A42-K46 PolarHBondContact O-N 3.34Å
43L97.1Very high96.8Very high20 Ų2063 Ų6311%0.10534%0.341CS..Hα-helixtrans-70.1-38.9-179.6-164.760.5000112.3V38 D39 K41 K46 Y47 V54 L58V38-L43 HydrophobicContact CG1-CD2 4.09Å; D39-L43 WeakPolarHBondContact O-CB 3.35Å; D39-L43 PolarHBondContact O-N 2.96Å; K41-L43 PolarHBondContact O-N 3.44Å; L43-K46 HydrophobicContact CD1-CD 4.29Å; L43-K46 PolarHBondContact O-N 2.83Å; L43-Y47 HydrophobicContact CD1-CD2 4.02Å; L43-Y47 HydrophobicContact CD1-CE2 3.56Å; L43-Y47 HydrophobicContact CG-CD2 4.21Å; L43-Y47 HydrophobicContact CG-CE2 4.15Å; L43-Y47 VanDerWaalsContact O-CD2 3.31Å; L43-Y47 WeakPolarHBondContact O-CD2 3.19Å; L43-Y47 PolarHBondContact O-N 2.86Å; L43-V54 HydrophobicContact CD2-CG1 3.77Å; L43-V54 HydrophobicContact CG-CG1 4.15Å; L43-V54 HydrophobicContact CG-CG2 4.3Å; L43-L58 HydrophobicContact CD2-CD1 4.06Å; L43-L58 HydrophobicContact CD2-CD2 3.74Å; L43-L58 HydrophobicContact CD2-CG 3.8Å
44G97.1Very high97Very high4 Ų460 Ų604%0.04133%0.325CS..Hα-helixtrans-61.4-48.5172.400000111.4L40 K41 K46 Y47 N48 G49L40-G44 WeakPolarHBondContact O-CA 3.28Å; L40-G44 PolarHBondContact O-N 3.3Å; K41-G44 PolarHBondContact O-N 3.37Å; G44-K46 PolarHBondContact O-N 2.81Å; G44-Y47 CarbonylContact O-C 3.4Å; G44-Y47 PolarHBondContact O-N 3.02Å; G44-Y47 VanDerWaalsContact O-N 3.16Å; G44-N48 PolarHBondContact O-N 2.86Å; G44-N48 VanDerWaalsContact O-N 3.08Å; G44-G49 PolarHBondContact O-N 2.86Å
45H96.3Very high97Very high153 Ų15362.5 Ų62.571%0.70833%0.333SS*.Hα-helixtrans-59.2-45.6175.4179.5-88.3000112.1K41 A42 Y47 N48K41-H45 WeakPolarHBondContact O-CB 3.33Å; K41-H45 PolarHBondContact O-N 3.5Å; A42-H45 PolarHBondContact O-N 2.97Å; H45-Y47 PolarHBondContact O-N 2.84Å; H45-Y47 VanDerWaalsContact O-N 3.14Å; H45-N48 PolarHBondContact O-N 2.68Å; H45-N48 VanDerWaalsContact O-N 3.09Å
46K97.2Very high97.1Very high135 Ų13567 Ų6759%0.58736%0.357SS*.Hα-helixtrans-54.6-33.4176.8176.8-179.8175-176.30112.9A42 L43 G44A42-K46 WeakPolarHBondContact O-CB 3.47Å; A42-K46 PolarHBondContact O-N 3.34Å; L43-K46 HydrophobicContact CD1-CD 4.29Å; L43-K46 PolarHBondContact O-N 2.83Å; G44-K46 PolarHBondContact O-N 2.81Å
47Y97Very high97.1Very high43 Ų4365.8 Ų65.817%0.16935%0.348CS..THydrogen-bonded Turntrans-108.621.6-179.1-64.5-58.8000113.5L43 G44 H45 G49 N50 M53 V54 S57L43-Y47 HydrophobicContact CD1-CD2 4.02Å; L43-Y47 HydrophobicContact CD1-CE2 3.56Å; L43-Y47 HydrophobicContact CG-CD2 4.21Å; L43-Y47 HydrophobicContact CG-CE2 4.15Å; L43-Y47 VanDerWaalsContact O-CD2 3.31Å; L43-Y47 WeakPolarHBondContact O-CD2 3.19Å; L43-Y47 PolarHBondContact O-N 2.86Å; G44-Y47 CarbonylContact O-C 3.4Å; G44-Y47 PolarHBondContact O-N 3.02Å; G44-Y47 VanDerWaalsContact O-N 3.16Å; H45-Y47 PolarHBondContact O-N 2.84Å; H45-Y47 VanDerWaalsContact O-N 3.14Å; Y47-G49 PolarHBondContact O-N 2.85Å; Y47-N50 WeakPolarHBondContact O-CB 3.48Å; Y47-N50 PolarHBondContact O-N 3.06Å; Y47-M53 HydrophobicContact CD1-CB 3.7Å; Y47-M53 HydrophobicContact CD1-CE 3.56Å; Y47-M53 HydrophobicContact CD1-CG 4.46Å; Y47-M53 HydrophobicContact CD1-SD 4.08Å; Y47-M53 HydrophobicContact CD2-CB 4.26Å; Y47-M53 HydrophobicContact CE1-CB 4.28Å; Y47-M53 HydrophobicContact CE1-CE 3.93Å; Y47-M53 HydrophobicContact CG-CB 3.69Å; Y47-V54 HydrophobicContact CD2-CG2 3.81Å; Y47-V54 HydrophobicContact CG-CG2 4.48Å; Y47-S57 WeakPolarHBondContact OH-CB 3.49Å; Y47-S57 PolarHBondContact OH-OG 3.1Å
48N95.9Very high97.3Very high155 Ų15561.5 Ų61.583%0.82932%0.318SS*.THydrogen-bonded Turntrans50.840.6179.1-60.7-22.9000113.5G44 H45 N50G44-N48 PolarHBondContact O-N 2.86Å; G44-N48 VanDerWaalsContact O-N 3.08Å; H45-N48 PolarHBondContact O-N 2.68Å; H45-N48 VanDerWaalsContact O-N 3.09Å; N48-N50 PolarHBondContact O-N 3.2Å
49G95.5Very high97.3Very high9 Ų962.7 Ų62.79%0.09332%0.323CS..THydrogen-bonded Turntrans73.24.5-177.600000114.7G44 Y47 I51 I86G44-G49 PolarHBondContact O-N 2.86Å; Y47-G49 PolarHBondContact O-N 2.85Å; G49-I51 PolarHBondContact O-N 2.85Å; G49-I86 WeakPolarHBondContact O-CD1 3.27Å
50N96.5Very high97.3Very high77 Ų7766.1 Ų66.141%0.41233%0.333SS..  trans-73.5100.7-179.1-171.4-53.9000111.7Y47 N48 G52 M53 V54Y47-N50 WeakPolarHBondContact O-CB 3.48Å; Y47-N50 PolarHBondContact O-N 3.06Å; N48-N50 PolarHBondContact O-N 3.2Å; N50-G52 PolarHBondContact O-N 3.25Å; N50-G52 WeakPolarHBondContact OD1-CA 3.23Å; N50-G52 PolarHBondContact OD1-N 3.4Å; N50-M53 HydrophobicContact CB-CB 4.19Å; N50-M53 HydrophobicContact CB-CG 4.08Å; N50-M53 HydrophobicContact CB-SD 4.11Å; N50-M53 PolarHBondContact O-N 3.03Å; N50-M53 PolarHBondContact OD1-N 3.43Å; N50-V54 WeakPolarHBondContact O-CG2 3.46Å; N50-V54 PolarHBondContact O-N 2.97Å; N50-V54 VanDerWaalsContact O-N 3.1Å
51I97.6Very high97.3Very high27 Ų2771.1 Ų71.114%0.13836%0.356CS..Hα-helixtrans-59.7-31.2180-166.3166.7000113.7G49 V54 R55 L79 E81 I86G49-I51 PolarHBondContact O-N 2.85Å; I51-V54 PolarHBondContact O-N 3.34Å; I51-R55 WeakPolarHBondContact O-CB 3.34Å; I51-R55 WeakPolarHBondContact O-CG 3.43Å; I51-R55 PolarHBondContact O-N 3.38Å; I51-L79 HydrophobicContact CD1-CB 3.89Å; I51-L79 HydrophobicContact CG1-CB 4.16Å; I51-E81 HydrophobicContact CB-CB 4.49Å; I51-E81 HydrophobicContact CD1-CB 4.16Å; I51-I86 HydrophobicContact CB-CD1 3.63Å; I51-I86 HydrophobicContact CD1-CD1 4.29Å; I51-I86 HydrophobicContact CG1-CD1 3.98Å
52G97.6Very high97.4Very high28 Ų2863.7 Ų63.729%0.28932%0.324SS..Hα-helixtrans-66.4-43.2177.300000112.2N50 R55 N56N50-G52 PolarHBondContact O-N 3.25Å; N50-G52 WeakPolarHBondContact OD1-CA 3.23Å; N50-G52 PolarHBondContact OD1-N 3.4Å; G52-R55 PolarHBondContact O-N 3.22Å; G52-N56 WeakPolarHBondContact O-CB 3.22Å; G52-N56 VanDerWaalsContact O-CG 3.26Å; G52-N56 PolarHBondContact O-N 2.95Å; G52-N56 PolarHBondContact O-ND2 2.88Å
53M97.9Very high97.4Very high92 Ų9265.1 Ų65.145%0.45332%0.324SS..Hα-helixtrans-67.3-39.8175.4-66.6-176.880.200111.9Y47 N50 N56 S57Y47-M53 HydrophobicContact CD1-CB 3.7Å; Y47-M53 HydrophobicContact CD1-CE 3.56Å; Y47-M53 HydrophobicContact CD1-CG 4.46Å; Y47-M53 HydrophobicContact CD1-SD 4.08Å; Y47-M53 HydrophobicContact CD2-CB 4.26Å; Y47-M53 HydrophobicContact CE1-CB 4.28Å; Y47-M53 HydrophobicContact CE1-CE 3.93Å; Y47-M53 HydrophobicContact CG-CB 3.69Å; N50-M53 HydrophobicContact CB-CB 4.19Å; N50-M53 HydrophobicContact CB-CG 4.08Å; N50-M53 HydrophobicContact CB-SD 4.11Å; N50-M53 PolarHBondContact O-N 3.03Å; N50-M53 PolarHBondContact OD1-N 3.43Å; M53-N56 PolarHBondContact O-N 2.58Å; M53-S57 WeakPolarHBondContact O-CB 3.25Å; M53-S57 PolarHBondContact O-N 3.44Å
54V98.2Very high97.3Very high0 Ų073.4 Ų73.40%036%0.359CS..Hα-helixtrans-58.6-50.2172.7173.40000110.7L40 L43 Y47 N50 I51 N56 S57 L58 L79 I86L40-V54 HydrophobicContact CD2-CG1 4.31Å; L43-V54 HydrophobicContact CD2-CG1 3.77Å; L43-V54 HydrophobicContact CG-CG1 4.15Å; L43-V54 HydrophobicContact CG-CG2 4.3Å; Y47-V54 HydrophobicContact CD2-CG2 3.81Å; Y47-V54 HydrophobicContact CG-CG2 4.48Å; N50-V54 WeakPolarHBondContact O-CG2 3.46Å; N50-V54 PolarHBondContact O-N 2.97Å; N50-V54 VanDerWaalsContact O-N 3.1Å; I51-V54 PolarHBondContact O-N 3.34Å; V54-N56 PolarHBondContact O-N 2.91Å; V54-S57 WeakPolarHBondContact O-CB 3.31Å; V54-S57 PolarHBondContact O-N 2.78Å; V54-L58 HydrophobicContact CG1-CD1 3.97Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.75Å; V54-L79 HydrophobicContact CG1-CD1 4.01Å; V54-I86 HydrophobicContact CG1-CG2 4.36Å; V54-I86 HydrophobicContact CG2-CG1 4.35Å
55R98.3Very high97.2Very high76 Ų7677.3 Ų77.329%0.28738%0.382SS..Hα-helixtrans-56.4-48.9176-77.8-179.6-176.6127.43.7111.6I51 G52 S57 L58 M59 L76 L79I51-R55 WeakPolarHBondContact O-CB 3.34Å; I51-R55 WeakPolarHBondContact O-CG 3.43Å; I51-R55 PolarHBondContact O-N 3.38Å; G52-R55 PolarHBondContact O-N 3.22Å; R55-S57 VanDerWaalsContact C-N 3.3Å; R55-S57 PolarHBondContact O-N 3.28Å; R55-L58 PolarHBondContact O-N 3.26Å; R55-M59 WeakPolarHBondContact O-CB 3.23Å; R55-M59 VanDerWaalsContact O-CG 3.27Å; R55-M59 WeakPolarHBondContact O-CG 3.35Å; R55-M59 PolarHBondContact O-N 2.92Å; R55-L76 HydrophobicContact CG-CB 4.29Å; R55-L76 PolarHBondContact NE-O 3.03Å; R55-L79 HydrophobicContact CG-CD1 3.63Å; R55-L79 PolarHBondContact NH2-O 2.73Å
56N98.3Very high97.1Very high104 Ų10470.3 Ų70.356%0.55635%0.351SS*.Hα-helixtrans-63.7-34.8180-72.6-18.5000112.8G52 M53 V54G52-N56 WeakPolarHBondContact O-CB 3.22Å; G52-N56 VanDerWaalsContact O-CG 3.26Å; G52-N56 PolarHBondContact O-N 2.95Å; G52-N56 PolarHBondContact O-ND2 2.88Å; M53-N56 PolarHBondContact O-N 2.58Å; V54-N56 PolarHBondContact O-N 2.91Å
57S98.3Very high97Very high23 Ų2368.4 Ų68.416%0.16135%0.352CS..Hα-helixtrans-64.3-51.6174.4-165.20000110.9Y47 M53 V54 R55 M59 K60 E61Y47-S57 WeakPolarHBondContact OH-CB 3.49Å; Y47-S57 PolarHBondContact OH-OG 3.1Å; M53-S57 WeakPolarHBondContact O-CB 3.25Å; M53-S57 PolarHBondContact O-N 3.44Å; V54-S57 WeakPolarHBondContact O-CB 3.31Å; V54-S57 PolarHBondContact O-N 2.78Å; R55-S57 VanDerWaalsContact C-N 3.3Å; R55-S57 PolarHBondContact O-N 3.28Å; S57-M59 PolarHBondContact O-N 3.43Å; S57-K60 PolarHBondContact O-N 3.42Å; S57-E61 WeakPolarHBondContact O-CB 3.46Å; S57-E61 PolarHBondContact O-N 3.44Å
58L98.5Very high96.8Very high0 Ų070.5 Ų70.50%037%0.366CS..Hα-helixtrans-68.1-34.8-179.1-65.6172.4000112.4V38 L40 L43 V54 R55 K60 E61 W62 L76 L79V38-L58 HydrophobicContact CG1-CD1 4.35Å; V38-L58 HydrophobicContact CG1-CD2 4.02Å; V38-L58 HydrophobicContact CG2-CD2 4.01Å; L40-L58 HydrophobicContact CD2-CD1 4.48Å; L43-L58 HydrophobicContact CD2-CD1 4.06Å; L43-L58 HydrophobicContact CD2-CD2 3.74Å; L43-L58 HydrophobicContact CD2-CG 3.8Å; V54-L58 HydrophobicContact CG1-CD1 3.97Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.75Å; R55-L58 PolarHBondContact O-N 3.26Å; L58-K60 PolarHBondContact O-N 2.96Å; L58-E61 PolarHBondContact O-N 2.77Å; L58-W62 HydrophobicContact CB-CD2 4.33Å; L58-W62 HydrophobicContact CD1-CZ2 4.4Å; L58-W62 HydrophobicContact CD2-CZ2 4.26Å; L58-W62 VanDerWaalsContact O-CB 3.27Å; L58-W62 WeakPolarHBondContact O-CB 3.45Å; L58-W62 VanDerWaalsContact O-CG 3.31Å; L58-W62 PolarHBondContact O-N 2.86Å; L58-L76 HydrophobicContact CB-CD1 4.05Å; L58-L76 HydrophobicContact CB-CD2 3.64Å; L58-L76 HydrophobicContact CD1-CD2 3.59Å; L58-L76 HydrophobicContact CG-CD2 4.27Å; L58-L79 HydrophobicContact CD1-CD1 4.1Å
59M98.3Very high96.7Very high49 Ų4966.3 Ų66.324%0.24135%0.347CS..Hα-helixtrans-54.2-35.2173.1-84-62.7-68.700112.8R55 S57 P69 R72 A73 L76R55-M59 WeakPolarHBondContact O-CB 3.23Å; R55-M59 VanDerWaalsContact O-CG 3.27Å; R55-M59 WeakPolarHBondContact O-CG 3.35Å; R55-M59 PolarHBondContact O-N 2.92Å; S57-M59 PolarHBondContact O-N 3.43Å; M59-P69 HydrophobicContact CE-CB 4.46Å; M59-R72 HydrophobicContact CE-CB 4.2Å; M59-R72 PolarHBondContact O-NE 3.3Å; M59-R72 HydrophobicContact SD-CB 3.54Å; M59-R72 VanDerWaalsContact SD-CB 3.54Å; M59-A73 HydrophobicContact CE-CB 4.45Å; M59-A73 HydrophobicContact SD-CB 4.23Å; M59-L76 HydrophobicContact CB-CD1 4.34Å; M59-L76 HydrophobicContact CG-CD1 3.54Å; M59-L76 HydrophobicContact SD-CD1 3.63Å
60K98Very high96.6Very high170 Ų17069 Ų6974%0.73936%0.362SS*.Hα-helixtrans-84.7-46.1177.6-65.9175.7-177.9-179.60111.6S57 L58 W62 D63S57-K60 PolarHBondContact O-N 3.42Å; L58-K60 PolarHBondContact O-N 2.96Å; K60-W62 VanDerWaalsContact C-N 3.28Å; K60-W62 PolarHBondContact O-N 2.88Å; K60-D63 WeakPolarHBondContact O-CB 3.42Å; K60-D63 PolarHBondContact O-N 3.32Å
61E97.6Very high96.4Very high119 Ų11967.2 Ų67.256%0.55635%0.352SS*.Hα-helixtrans-59.7-39.9-178.2-172.2-176.2135.700112.2S57 L58 D63S57-E61 WeakPolarHBondContact O-CB 3.46Å; S57-E61 PolarHBondContact O-N 3.44Å; L58-E61 PolarHBondContact O-N 2.77Å; E61-D63 VanDerWaalsContact C-N 3.3Å; E61-D63 PolarHBondContact O-N 2.75Å
62W97.8Very high96.4Very high2 Ų266.8 Ų66.81%0.00835%0.348CS..THydrogen-bonded Turntrans-84.41.2-176-64.7-2.9000114.2L34 M35 V38 L58 K60 K64 T65 V66 R72 L75 L76 W88L34-W62 HydrophobicContact CD2-CB 4.35Å; L34-W62 HydrophobicContact CD2-CD2 3.86Å; L34-W62 HydrophobicContact CD2-CE3 4.35Å; L34-W62 HydrophobicContact CD2-CG 3.88Å; L34-W62 HydrophobicContact CG-CD2 4.29Å; L34-W62 HydrophobicContact CG-CG 4.44Å; L34-W62 HydrophobicContact CG-CZ2 4.21Å; M35-W62 HydrophobicContact CG-CH2 3.92Å; V38-W62 HydrophobicContact CG2-CZ2 3.64Å; L58-W62 HydrophobicContact CB-CD2 4.33Å; L58-W62 HydrophobicContact CD1-CZ2 4.4Å; L58-W62 HydrophobicContact CD2-CZ2 4.26Å; L58-W62 VanDerWaalsContact O-CB 3.27Å; L58-W62 WeakPolarHBondContact O-CB 3.45Å; L58-W62 VanDerWaalsContact O-CG 3.31Å; L58-W62 PolarHBondContact O-N 2.86Å; K60-W62 VanDerWaalsContact C-N 3.28Å; K60-W62 PolarHBondContact O-N 2.88Å; W62-K64 VanDerWaalsContact C-N 3.26Å; W62-K64 PolarHBondContact O-N 2.97Å; W62-T65 PolarHBondContact O-N 3.06Å; W62-T65 VanDerWaalsContact O-N 3.13Å; W62-V66 PolarHBondContact O-N 3.1Å; W62-R72 HydrophobicContact CB-CG 4.43Å; W62-L75 HydrophobicContact CZ3-CB 4.06Å; W62-L75 HydrophobicContact CZ3-CD1 4.46Å; W62-L76 HydrophobicContact CE3-CD2 4.13Å; W62-L76 HydrophobicContact CE3-CG 4.26Å; W62-L76 HydrophobicContact CH2-CD2 3.82Å; W62-L76 HydrophobicContact CZ3-CD2 3.56Å; W62-L76 HydrophobicContact CZ3-CG 3.87Å; W62-W88 AromaticContact CH2-CH2 3.51Å; W62-W88 HydrophobicContact CH2-CH2 3.51Å; W62-W88 AromaticContact CH2-CZ2 3.92Å; W62-W88 HydrophobicContact CH2-CZ2 3.92Å; W62-W88 HydrophobicContact CZ2-CH2 4.18Å; W62-W88 HydrophobicContact CZ2-CZ2 4.19Å; W62-W88 HydrophobicContact CZ3-CH2 4.44Å
63D96.8Very high96.3Very high81 Ų8167.6 Ų67.643%0.43335%0.353SS..THydrogen-bonded Turntrans-56.4-38.5-174.5-174.661000113K60 E61 P67 R72K60-D63 WeakPolarHBondContact O-CB 3.42Å; K60-D63 PolarHBondContact O-N 3.32Å; E61-D63 VanDerWaalsContact C-N 3.3Å; E61-D63 PolarHBondContact O-N 2.75Å; D63-P67 VanDerWaalsContact O-CA 3.23Å; D63-P67 WeakPolarHBondContact O-CA 3.16Å; D63-R72 IonicContact OD1-CZ 2.69Å; D63-R72 IonicContact OD1-NH1 3.2Å; D63-R72 PolarHBondContact OD1-NH1 3.45Å; D63-R72 VanDerWaalsContact OD1-NH1 3.16Å; D63-R72 IonicContact OD1-NH2 3.49Å; D63-R72 PolarHBondContact OD1-NH2 3.35Å
64K94.9Very high96.2Very high194 Ų19467.9 Ų67.984%0.84335%0.351SS*.THydrogen-bonded Turntrans-73.3-39177.8-65.5-177179.5179.40113.2W62W62-K64 VanDerWaalsContact C-N 3.26Å; W62-K64 PolarHBondContact O-N 2.97Å
65T94.2Very high96.1Very high86 Ų8668.5 Ų68.553%0.52836%0.355SS..THydrogen-bonded Turntrans-83.7-32.4-173.7-48.90000112.2L34 W62L34-T65 HydrophobicContact CD1-CG2 4.4Å; L34-T65 HydrophobicContact CD2-CG2 3.85Å; W62-T65 PolarHBondContact O-N 3.06Å; W62-T65 VanDerWaalsContact O-N 3.13Å
66V95.2Very high96.1Very high7 Ų765 Ų654%0.04234%0.342CS..SBendtrans-12980.9176.8-175.60000107.8I31 L34 W62 N68 M71 R72 L75I31-V66 HydrophobicContact CG1-CG2 4.34Å; L34-V66 HydrophobicContact CD2-CG2 3.79Å; W62-V66 PolarHBondContact O-N 3.1Å; V66-N68 VanDerWaalsContact C-N 3.27Å; V66-N68 PolarHBondContact O-N 3.22Å; V66-M71 HydrophobicContact CG1-CB 3.86Å; V66-M71 HydrophobicContact CG1-CG 3.59Å; V66-R72 HydrophobicContact CB-CG 3.75Å; V66-R72 HydrophobicContact CG1-CG 3.69Å; V66-R72 WeakPolarHBondContact O-CD 3.34Å; V66-R72 WeakPolarHBondContact O-CG 3.45Å; V66-R72 PolarHBondContact O-NH1 3.22Å; V66-L75 HydrophobicContact CG1-CD1 4.18Å; V66-L75 HydrophobicContact CG2-CD1 4.28Å
67P94.4Very high96.1Very high94 Ų9463.6 Ų63.661%0.6134%0.337SS*.  trans-62.4-27.7-171.4-26.736.5000115.5D63 P69 R72D63-P67 VanDerWaalsContact O-CA 3.23Å; D63-P67 WeakPolarHBondContact O-CA 3.16Å; P67-P69 VanDerWaalsContact O-CD 3.26Å; P67-P69 WeakPolarHBondContact O-CD 3.31Å; P67-R72 PolarHBondContact O-NH1 3.32Å
68N92.1Very high96Very high88 Ų8864.6 Ų64.647%0.47134%0.34SS..  trans-73.5114.6177.4-178.3-41.6000110.3V66 T70 M71 R72V66-N68 VanDerWaalsContact C-N 3.27Å; V66-N68 PolarHBondContact O-N 3.22Å; N68-T70 VanDerWaalsContact C-N 3.34Å; N68-T70 PolarHBondContact O-N 2.97Å; N68-T70 WeakPolarHBondContact OD1-CA 3.39Å; N68-T70 VanDerWaalsContact OD1-CB 3.23Å; N68-T70 WeakPolarHBondContact OD1-CB 3.33Å; N68-T70 PolarHBondContact OD1-N 3.02Å; N68-M71 HydrophobicContact CB-CB 3.9Å; N68-M71 WeakPolarHBondContact O-CB 3.34Å; N68-M71 PolarHBondContact O-N 3.06Å; N68-M71 PolarHBondContact OD1-N 3.19Å; N68-R72 PolarHBondContact O-N 3.22Å
69P95.3Very high96Very high67 Ų6764.6 Ų64.644%0.43534%0.34SS..Hα-helixtrans-67-32.7-177.727.1-34.7000113M59 P67 M71 R72 A73M59-P69 HydrophobicContact CE-CB 4.46Å; P67-P69 VanDerWaalsContact O-CD 3.26Å; P67-P69 WeakPolarHBondContact O-CD 3.31Å; P69-M71 VanDerWaalsContact C-N 3.32Å; P69-R72 PolarHBondContact O-N 2.89Å; P69-A73 WeakPolarHBondContact O-CB 3.33Å; P69-A73 PolarHBondContact O-N 3.41Å
70T92.7Very high96Very high66 Ų6662.4 Ų62.441%0.40533%0.331SS..Hα-helixtrans-63-41173.7-48.40000110.4N68 A73 F74 W155 F158N68-T70 VanDerWaalsContact C-N 3.34Å; N68-T70 PolarHBondContact O-N 2.97Å; N68-T70 WeakPolarHBondContact OD1-CA 3.39Å; N68-T70 VanDerWaalsContact OD1-CB 3.23Å; N68-T70 WeakPolarHBondContact OD1-CB 3.33Å; N68-T70 PolarHBondContact OD1-N 3.02Å; T70-A73 PolarHBondContact O-N 3.14Å; T70-F74 WeakPolarHBondContact O-CB 3.27Å; T70-F74 PolarHBondContact O-N 2.9Å; T70-W155 HydrophobicContact CG2-CZ3 3.99Å; T70-F158 HydrophobicContact CG2-CE1 4.32Å
71M92.5Very high95.9Very high39 Ų3959.2 Ų59.219%0.19232%0.318CS..Hα-helixtrans-63.3-44174-174.265.2163.800112.3L28 I31 V66 N68 P69 F74 L75 W155L28-M71 HydrophobicContact CD2-CE 4.37Å; I31-M71 HydrophobicContact CD1-CE 3.68Å; V66-M71 HydrophobicContact CG1-CB 3.86Å; V66-M71 HydrophobicContact CG1-CG 3.59Å; N68-M71 HydrophobicContact CB-CB 3.9Å; N68-M71 WeakPolarHBondContact O-CB 3.34Å; N68-M71 PolarHBondContact O-N 3.06Å; N68-M71 PolarHBondContact OD1-N 3.19Å; P69-M71 VanDerWaalsContact C-N 3.32Å; M71-F74 PolarHBondContact O-N 2.68Å; M71-F74 HydrophobicContact SD-CD1 4.46Å; M71-L75 HydrophobicContact CE-CD2 4.43Å; M71-L75 HydrophobicContact CG-CD1 4.18Å; M71-L75 VanDerWaalsContact O-CG 3.25Å; M71-L75 WeakPolarHBondContact O-CG 3.43Å; M71-L75 PolarHBondContact O-N 2.96Å; M71-W155 HydrophobicContact CB-CH2 4.41Å; M71-W155 HydrophobicContact SD-CH2 3.5Å; M71-W155 VanDerWaalsContact SD-CH2 3.5Å; M71-W155 HydrophobicContact SD-CZ2 3.67Å
72R96.9Very high95.8Very high17 Ų1760 Ų606%0.06432%0.32CS..Hα-helixtrans-59.6-48.7174.5-65-165-61.7-88.414.5111.8M59 W62 D63 V66 P67 N68 P69 F74 L75 L76M59-R72 HydrophobicContact CE-CB 4.2Å; M59-R72 PolarHBondContact O-NE 3.3Å; M59-R72 HydrophobicContact SD-CB 3.54Å; M59-R72 VanDerWaalsContact SD-CB 3.54Å; W62-R72 HydrophobicContact CB-CG 4.43Å; D63-R72 IonicContact OD1-CZ 2.69Å; D63-R72 IonicContact OD1-NH1 3.2Å; D63-R72 PolarHBondContact OD1-NH1 3.45Å; D63-R72 VanDerWaalsContact OD1-NH1 3.16Å; D63-R72 IonicContact OD1-NH2 3.49Å; D63-R72 PolarHBondContact OD1-NH2 3.35Å; V66-R72 HydrophobicContact CB-CG 3.75Å; V66-R72 HydrophobicContact CG1-CG 3.69Å; V66-R72 WeakPolarHBondContact O-CD 3.34Å; V66-R72 WeakPolarHBondContact O-CG 3.45Å; V66-R72 PolarHBondContact O-NH1 3.22Å; P67-R72 PolarHBondContact O-NH1 3.32Å; N68-R72 PolarHBondContact O-N 3.22Å; P69-R72 PolarHBondContact O-N 2.89Å; R72-F74 VanDerWaalsContact C-N 3.32Å; R72-F74 PolarHBondContact O-N 2.98Å; R72-L75 PolarHBondContact O-N 2.8Å; R72-L76 WeakPolarHBondContact O-CB 3.38Å; R72-L76 VanDerWaalsContact O-CG 3.25Å; R72-L76 WeakPolarHBondContact O-CG 3.48Å; R72-L76 PolarHBondContact O-N 3.03Å
73A96.9Very high95.5Very high46 Ų4667 Ų6738%0.3836%0.357SS..Hα-helixtrans-58.7-45.5179.300000111.1M59 P69 T70 L76 T77M59-A73 HydrophobicContact CE-CB 4.45Å; M59-A73 HydrophobicContact SD-CB 4.23Å; P69-A73 WeakPolarHBondContact O-CB 3.33Å; P69-A73 PolarHBondContact O-N 3.41Å; T70-A73 PolarHBondContact O-N 3.14Å; A73-L76 PolarHBondContact O-N 3Å; A73-T77 WeakPolarHBondContact O-CG2 3.33Å; A73-T77 PolarHBondContact O-N 3.03Å; A73-T77 VanDerWaalsContact O-N 3.15Å
74F94.7Very high95.1Very high97 Ų9765.2 Ų65.243%0.42536%0.358SS..Hα-helixtrans-58.3-51175.5175.5-102000112.3T70 M71 R72 L76 T77 W155T70-F74 WeakPolarHBondContact O-CB 3.27Å; T70-F74 PolarHBondContact O-N 2.9Å; M71-F74 PolarHBondContact O-N 2.68Å; M71-F74 HydrophobicContact SD-CD1 4.46Å; R72-F74 VanDerWaalsContact C-N 3.32Å; R72-F74 PolarHBondContact O-N 2.98Å; F74-L76 VanDerWaalsContact C-N 3.25Å; F74-L76 PolarHBondContact O-N 3.19Å; F74-T77 WeakPolarHBondContact O-CB 3.38Å; F74-T77 WeakPolarHBondContact O-CG2 3.5Å; F74-T77 PolarHBondContact O-N 3.39Å; F74-T77 VanDerWaalsContact O-N 3.09Å; F74-T77 PolarHBondContact O-OG1 2.61Å; F74-W155 HydrophobicContact CB-CH2 3.57Å; F74-W155 HydrophobicContact CB-CZ2 4.09Å; F74-W155 HydrophobicContact CB-CZ3 4.28Å; F74-W155 AromaticContact CD1-CH2 3.77Å; F74-W155 HydrophobicContact CD1-CH2 3.77Å; F74-W155 AromaticContact CD1-CZ2 3.4Å; F74-W155 HydrophobicContact CD1-CZ2 3.4Å; F74-W155 VanDerWaalsContact CD1-CZ2 3.4Å; F74-W155 HydrophobicContact CD2-CH2 4.39Å; F74-W155 HydrophobicContact CD2-CZ2 4.2Å; F74-W155 AromaticContact CE1-CZ2 3.81Å; F74-W155 HydrophobicContact CE1-CZ2 3.81Å; F74-W155 AromaticContact CG-CH2 3.64Å; F74-W155 HydrophobicContact CG-CH2 3.64Å; F74-W155 AromaticContact CG-CZ2 3.62Å; F74-W155 HydrophobicContact CG-CZ2 3.62Å; F74-W155 HydrophobicContact CZ-CZ2 4.36Å
75L96.9Very high95.2Very high13 Ų1362.2 Ų62.27%0.06835%0.347CS..Hα-helixtrans-56.8-41.6178.1-68167.4000111.4I31 M35 W62 V66 M71 R72 T77 N78I31-L75 HydrophobicContact CG2-CD1 3.52Å; I31-L75 HydrophobicContact CG2-CD2 3.64Å; I31-L75 HydrophobicContact CG2-CG 4.24Å; M35-L75 HydrophobicContact SD-CD2 3.89Å; W62-L75 HydrophobicContact CZ3-CB 4.06Å; W62-L75 HydrophobicContact CZ3-CD1 4.46Å; V66-L75 HydrophobicContact CG1-CD1 4.18Å; V66-L75 HydrophobicContact CG2-CD1 4.28Å; M71-L75 HydrophobicContact CE-CD2 4.43Å; M71-L75 HydrophobicContact CG-CD1 4.18Å; M71-L75 VanDerWaalsContact O-CG 3.25Å; M71-L75 WeakPolarHBondContact O-CG 3.43Å; M71-L75 PolarHBondContact O-N 2.96Å; R72-L75 PolarHBondContact O-N 2.8Å; L75-T77 VanDerWaalsContact C-N 3.28Å; L75-T77 PolarHBondContact O-N 3.21Å; L75-N78 VanDerWaalsContact O-CB 3.26Å; L75-N78 WeakPolarHBondContact O-CB 3.49Å; L75-N78 PolarHBondContact O-N 3.4Å; L75-N78 VanDerWaalsContact O-N 3.15Å; L75-N78 PolarHBondContact O-ND2 3.36Å
76L98.2Very high95.4Very high4 Ų458.5 Ų58.52%0.02132%0.324CS..Hα-helixtrans-75.3-8.9-178.8-66.4171.7000114.6R55 L58 M59 W62 R72 A73 F74 N78 L79 W88R55-L76 HydrophobicContact CG-CB 4.29Å; R55-L76 PolarHBondContact NE-O 3.03Å; L58-L76 HydrophobicContact CB-CD1 4.05Å; L58-L76 HydrophobicContact CB-CD2 3.64Å; L58-L76 HydrophobicContact CD1-CD2 3.59Å; L58-L76 HydrophobicContact CG-CD2 4.27Å; M59-L76 HydrophobicContact CB-CD1 4.34Å; M59-L76 HydrophobicContact CG-CD1 3.54Å; M59-L76 HydrophobicContact SD-CD1 3.63Å; W62-L76 HydrophobicContact CE3-CD2 4.13Å; W62-L76 HydrophobicContact CE3-CG 4.26Å; W62-L76 HydrophobicContact CH2-CD2 3.82Å; W62-L76 HydrophobicContact CZ3-CD2 3.56Å; W62-L76 HydrophobicContact CZ3-CG 3.87Å; R72-L76 WeakPolarHBondContact O-CB 3.38Å; R72-L76 VanDerWaalsContact O-CG 3.25Å; R72-L76 WeakPolarHBondContact O-CG 3.48Å; R72-L76 PolarHBondContact O-N 3.03Å; A73-L76 PolarHBondContact O-N 3Å; F74-L76 VanDerWaalsContact C-N 3.25Å; F74-L76 PolarHBondContact O-N 3.19Å; L76-N78 PolarHBondContact O-N 3.36Å; L76-L79 HydrophobicContact CB-CD1 4.46Å; L76-L79 HydrophobicContact CD2-CD1 3.77Å; L76-L79 HydrophobicContact CD2-CG 4.43Å; L76-L79 WeakPolarHBondContact O-CB 3.17Å; L76-L79 PolarHBondContact O-N 3.49Å; L76-L79 VanDerWaalsContact O-N 3.16Å; L76-W88 HydrophobicContact CD2-CH2 4.13Å
77T97.1Very high95.5Very high73 Ų7362.3 Ų62.345%0.44834%0.34SS..THydrogen-bonded Turntrans-64.3-22.7166.2700000112.2A73 F74 L75 L79 K89A73-T77 WeakPolarHBondContact O-CG2 3.33Å; A73-T77 PolarHBondContact O-N 3.03Å; A73-T77 VanDerWaalsContact O-N 3.15Å; F74-T77 WeakPolarHBondContact O-CB 3.38Å; F74-T77 WeakPolarHBondContact O-CG2 3.5Å; F74-T77 PolarHBondContact O-N 3.39Å; F74-T77 VanDerWaalsContact O-N 3.09Å; F74-T77 PolarHBondContact O-OG1 2.61Å; L75-T77 VanDerWaalsContact C-N 3.28Å; L75-T77 PolarHBondContact O-N 3.21Å; T77-L79 PolarHBondContact O-N 2.72Å; T77-K89 PolarHBondContact O-NZ 2.9Å
78N97.9Very high95.6Very high44 Ų4459.6 Ų59.624%0.23532%0.318CS..THydrogen-bonded Turntrans-73.2-4.3174.8-66.2-82.1000113.2M35 L75 L76 W88 K89 A90M35-N78 HydrophobicContact CE-CB 4.16Å; L75-N78 VanDerWaalsContact O-CB 3.26Å; L75-N78 WeakPolarHBondContact O-CB 3.49Å; L75-N78 PolarHBondContact O-N 3.4Å; L75-N78 VanDerWaalsContact O-N 3.15Å; L75-N78 PolarHBondContact O-ND2 3.36Å; L76-N78 PolarHBondContact O-N 3.36Å; N78-W88 HydrophobicContact CB-CE3 3.95Å; N78-W88 HydrophobicContact CB-CZ3 4.22Å; N78-W88 CarbonylContact O-C 3.5Å; N78-K89 WeakPolarHBondContact O-CB 3.5Å; N78-K89 WeakPolarHBondContact O-CG 3.28Å; N78-K89 PolarHBondContact O-N 3.02Å; N78-A90 HydrophobicContact CB-CB 4.41Å
79L98.3Very high95.9Very high0 Ų061.6 Ų61.60%032%0.322CS..EExtended strand (participates in β ladder)trans-73.7131.7168.7-67.9170.6000110.3L40 I51 V54 R55 L58 L76 T77 I86 W88 K89L40-L79 HydrophobicContact CD1-CD2 3.75Å; L40-L79 HydrophobicContact CD2-CD2 3.61Å; L40-L79 HydrophobicContact CG-CD2 4.37Å; I51-L79 HydrophobicContact CD1-CB 3.89Å; I51-L79 HydrophobicContact CG1-CB 4.16Å; V54-L79 HydrophobicContact CG1-CD1 4.01Å; R55-L79 HydrophobicContact CG-CD1 3.63Å; R55-L79 PolarHBondContact NH2-O 2.73Å; L58-L79 HydrophobicContact CD1-CD1 4.1Å; L76-L79 HydrophobicContact CB-CD1 4.46Å; L76-L79 HydrophobicContact CD2-CD1 3.77Å; L76-L79 HydrophobicContact CD2-CG 4.43Å; L76-L79 WeakPolarHBondContact O-CB 3.17Å; L76-L79 PolarHBondContact O-N 3.49Å; L76-L79 VanDerWaalsContact O-N 3.16Å; T77-L79 PolarHBondContact O-N 2.72Å; L79-I86 HydrophobicContact CD2-CG2 4.04Å; L79-W88 HydrophobicContact CD2-CD2 4.1Å; L79-W88 HydrophobicContact CD2-CE3 3.72Å; L79-W88 HydrophobicContact CD2-CH2 3.67Å; L79-W88 HydrophobicContact CD2-CZ2 4.1Å; L79-W88 HydrophobicContact CD2-CZ3 3.5Å; L79-W88 VanDerWaalsContact CD2-CZ3 3.5Å; L79-W88 HydrophobicContact CG-CE3 4.15Å; L79-W88 HydrophobicContact CG-CH2 4.01Å; L79-W88 HydrophobicContact CG-CZ3 3.63Å; L79-K89 WeakPolarHBondContact O-CE 3.15Å; L79-K89 PolarHBondContact O-NZ 2.92Å
80G97.9Very high96Very high4 Ų459.4 Ų59.44%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-118161169.700000111I86 F87G80-I86 WeakPolarHBondContact O-CA 3.47Å; G80-F87 PolarHBondContact N-O 3.15Å; G80-F87 PolarHBondContact O-N 3.01Å
81E96Very high96.2Very high102 Ų10261.2 Ų61.248%0.47732%0.317SS..EExtended strand (participates in β ladder)trans-130.1135.7173.8-178.4-172.314700107.7I51 E85 I86I51-E81 HydrophobicContact CB-CB 4.49Å; I51-E81 HydrophobicContact CD1-CB 4.16Å; E81-E85 VanDerWaalsContact CA-O 3.31Å; E81-E85 WeakPolarHBondContact CA-O 3.47Å; E81-I86 HydrophobicContact CB-CD1 3.7Å; E81-I86 HydrophobicContact CG-CD1 3.76Å
82K95.5Very high96.4Very high136 Ų13660 Ų6059%0.59131%0.311SS*.EExtended strand (participates in β ladder)trans-149.9129.3172.9179.6176.3177.3-176.10108.5G84 E85 F87K82-G84 PolarHBondContact O-N 2.69Å; K82-G84 VanDerWaalsContact O-N 3.14Å; K82-E85 PolarHBondContact N-O 3.02Å; K82-E85 PolarHBondContact O-N 3.32Å; K82-F87 HydrophobicContact CB-CD1 4.46Å; K82-F87 HydrophobicContact CB-CE1 3.66Å; K82-F87 HydrophobicContact CB-CZ 4.45Å
83D92.1Very high96.3Very high148 Ų14865.3 Ų65.379%0.79134%0.341SS*.THydrogen-bonded Turntrans53.135.5177.3-52.2-38.3000113.1E85D83-E85 PolarHBondContact O-N 3.25Å
84G88Confident96.4Very high44 Ų4464.9 Ų64.945%0.45434%0.338SS..THydrogen-bonded Turntrans78.8-4.7-177.500000115.3K82K82-G84 PolarHBondContact O-N 2.69Å; K82-G84 VanDerWaalsContact O-N 3.14Å
85E95.7Very high96.5Very high131 Ų13162.6 Ų62.661%0.61233%0.33SS*.EExtended strand (participates in β ladder)trans-92.5136.7175-63.2-166.6172.400111.8E81 K82 D83E81-E85 VanDerWaalsContact CA-O 3.31Å; E81-E85 WeakPolarHBondContact CA-O 3.47Å; K82-E85 PolarHBondContact N-O 3.02Å; K82-E85 PolarHBondContact O-N 3.32Å; D83-E85 PolarHBondContact O-N 3.25Å
86I98.1Very high96.4Very high9 Ų967.5 Ų67.55%0.04635%0.35CS..EExtended strand (participates in β ladder)trans-97.4133.5175.7-56.5-62.2000110L40 G49 I51 V54 L79 G80 E81L40-I86 WeakPolarHBondContact CB-O 3.36Å; L40-I86 HydrophobicContact CD1-CG2 4.43Å; L40-I86 HydrophobicContact CD2-CG2 4.12Å; G49-I86 WeakPolarHBondContact O-CD1 3.27Å; I51-I86 HydrophobicContact CB-CD1 3.63Å; I51-I86 HydrophobicContact CD1-CD1 4.29Å; I51-I86 HydrophobicContact CG1-CD1 3.98Å; V54-I86 HydrophobicContact CG1-CG2 4.36Å; V54-I86 HydrophobicContact CG2-CG1 4.35Å; L79-I86 HydrophobicContact CD2-CG2 4.04Å; G80-I86 WeakPolarHBondContact O-CA 3.47Å; E81-I86 HydrophobicContact CB-CD1 3.7Å; E81-I86 HydrophobicContact CG-CD1 3.76Å
87F97.6Very high96.3Very high86 Ų8671.4 Ų71.438%0.37738%0.378SS..EExtended strand (participates in β ladder)trans-144.6163.7-177.165.4-85.4000112.5G80 K82 K89G80-F87 PolarHBondContact N-O 3.15Å; G80-F87 PolarHBondContact O-N 3.01Å; K82-F87 HydrophobicContact CB-CD1 4.46Å; K82-F87 HydrophobicContact CB-CE1 3.66Å; K82-F87 HydrophobicContact CB-CZ 4.45Å; F87-K89 HydrophobicContact CE2-CG 4.15Å
88W98Very high96.2Very high38 Ų3870.4 Ų70.414%0.14437%0.373CS..EExtended strand (participates in β ladder)trans-81.4121.4168-67.8117.7000110.3M35 V38 L40 W62 L76 N78 L79 A90 L92M35-W88 HydrophobicContact CB-CZ2 4.12Å; M35-W88 HydrophobicContact CE-CD2 4.16Å; M35-W88 HydrophobicContact CE-CE3 3.61Å; M35-W88 HydrophobicContact CE-CH2 4.05Å; M35-W88 HydrophobicContact CE-CZ3 3.55Å; M35-W88 HydrophobicContact CG-CH2 4.48Å; M35-W88 HydrophobicContact CG-CZ2 4.46Å; M35-W88 PolarHBondContact O-NE1 2.89Å; V38-W88 HydrophobicContact CB-CZ2 4.41Å; V38-W88 HydrophobicContact CG2-CZ2 4.36Å; L40-W88 HydrophobicContact CD1-CD2 3.94Å; L40-W88 HydrophobicContact CD1-CG 3.8Å; L40-W88 HydrophobicContact CD1-CZ2 4.42Å; W62-W88 AromaticContact CH2-CH2 3.51Å; W62-W88 HydrophobicContact CH2-CH2 3.51Å; W62-W88 AromaticContact CH2-CZ2 3.92Å; W62-W88 HydrophobicContact CH2-CZ2 3.92Å; W62-W88 HydrophobicContact CZ2-CH2 4.18Å; W62-W88 HydrophobicContact CZ2-CZ2 4.19Å; W62-W88 HydrophobicContact CZ3-CH2 4.44Å; L76-W88 HydrophobicContact CD2-CH2 4.13Å; N78-W88 HydrophobicContact CB-CE3 3.95Å; N78-W88 HydrophobicContact CB-CZ3 4.22Å; N78-W88 CarbonylContact O-C 3.5Å; L79-W88 HydrophobicContact CD2-CD2 4.1Å; L79-W88 HydrophobicContact CD2-CE3 3.72Å; L79-W88 HydrophobicContact CD2-CH2 3.67Å; L79-W88 HydrophobicContact CD2-CZ2 4.1Å; L79-W88 HydrophobicContact CD2-CZ3 3.5Å; L79-W88 VanDerWaalsContact CD2-CZ3 3.5Å; L79-W88 HydrophobicContact CG-CE3 4.15Å; L79-W88 HydrophobicContact CG-CH2 4.01Å; L79-W88 HydrophobicContact CG-CZ3 3.63Å; W88-A90 PolarHBondContact O-N 3.33Å; W88-L92 HydrophobicContact CB-CD1 4.24Å; W88-L92 HydrophobicContact CB-CG 4.36Å; W88-L92 HydrophobicContact CD2-CD1 4.21Å; W88-L92 HydrophobicContact CG-CD1 3.7Å; W88-L92 HydrophobicContact CG-CG 4.32Å
89K98Very high96Very high129 Ų12970.1 Ų70.156%0.56137%0.369SS*.SBendtrans-63.5-33.7170.1-64.1172.9-177.5164.40111.7T77 N78 L79 F87T77-K89 PolarHBondContact O-NZ 2.9Å; N78-K89 WeakPolarHBondContact O-CB 3.5Å; N78-K89 WeakPolarHBondContact O-CG 3.28Å; N78-K89 PolarHBondContact O-N 3.02Å; L79-K89 WeakPolarHBondContact O-CE 3.15Å; L79-K89 PolarHBondContact O-NZ 2.92Å; F87-K89 HydrophobicContact CE2-CG 4.15Å
90A96.7Very high95.8Very high21 Ų2175.7 Ų75.717%0.17440%0.399CS..SBendtrans-74.3134.7176.100000110.6N78 W88 L92 I95N78-A90 HydrophobicContact CB-CB 4.41Å; W88-A90 PolarHBondContact O-N 3.33Å; A90-L92 VanDerWaalsContact C-N 3.3Å; A90-L92 HydrophobicContact CB-CD2 4.13Å; A90-L92 PolarHBondContact O-N 3.47Å; A90-I95 HydrophobicContact CB-CD1 4.12Å
91N97.1Very high95.5Very high104 Ų10482 Ų8256%0.55643%0.427SS*.  trans-77.281.3173.1-173.2-15.8000110.3N93 A94 I95N91-N93 VanDerWaalsContact C-N 3.26Å; N91-N93 PolarHBondContact O-N 3.47Å; N91-A94 HydrophobicContact CB-CB 4.1Å; N91-A94 VanDerWaalsContact CG-CB 3.44Å; N91-A94 PolarHBondContact O-N 3.41Å; N91-A94 WeakPolarHBondContact OD1-CB 3.4Å; N91-A94 PolarHBondContact OD1-N 3.37Å; N91-A94 VanDerWaalsContact OD1-N 3.08Å; N91-I95 WeakPolarHBondContact O-CG1 3.43Å; N91-I95 PolarHBondContact O-N 2.91Å
92L96.4Very high95.4Very high14 Ų1481.7 Ų81.77%0.07343%0.428CS..Hα-helixtrans-59.6-35-175.8-61.3-177000112.9M35 W88 A90 I95 K96M35-L92 HydrophobicContact CB-CD1 3.73Å; M35-L92 HydrophobicContact CB-CD2 4.23Å; M35-L92 HydrophobicContact CE-CD2 4.06Å; M35-L92 HydrophobicContact SD-CD2 4.23Å; W88-L92 HydrophobicContact CB-CD1 4.24Å; W88-L92 HydrophobicContact CB-CG 4.36Å; W88-L92 HydrophobicContact CD2-CD1 4.21Å; W88-L92 HydrophobicContact CG-CD1 3.7Å; W88-L92 HydrophobicContact CG-CG 4.32Å; A90-L92 VanDerWaalsContact C-N 3.3Å; A90-L92 HydrophobicContact CB-CD2 4.13Å; A90-L92 PolarHBondContact O-N 3.47Å; L92-I95 HydrophobicContact CD2-CD1 4.48Å; L92-I95 PolarHBondContact O-N 3.28Å; L92-K96 VanDerWaalsContact O-CB 3.31Å; L92-K96 WeakPolarHBondContact O-CB 3.35Å; L92-K96 PolarHBondContact O-N 3.39Å
93N96.2Very high95.3Very high128 Ų12875.8 Ų75.868%0.68440%0.403SS*.Hα-helixtrans-62.8-47.6176.9-73-17000111.2N91 K96 S97N91-N93 VanDerWaalsContact C-N 3.26Å; N91-N93 PolarHBondContact O-N 3.47Å; N93-K96 PolarHBondContact O-N 3.3Å; N93-S97 PolarHBondContact O-N 3.28Å; N93-S97 PolarHBondContact O-OG 3.15Å
94A97.8Very high95.4Very high38 Ų3870.2 Ų70.231%0.31438%0.381SS..Hα-helixtrans-65.3-42.6177.200000112N91 K96 S97 C98N91-A94 HydrophobicContact CB-CB 4.1Å; N91-A94 VanDerWaalsContact CG-CB 3.44Å; N91-A94 PolarHBondContact O-N 3.41Å; N91-A94 WeakPolarHBondContact OD1-CB 3.4Å; N91-A94 PolarHBondContact OD1-N 3.37Å; N91-A94 VanDerWaalsContact OD1-N 3.08Å; A94-K96 VanDerWaalsContact C-N 3.3Å; A94-K96 PolarHBondContact O-N 3.32Å; A94-S97 WeakPolarHBondContact CA-OG 3.33Å; A94-S97 PolarHBondContact O-N 3.01Å; A94-S97 PolarHBondContact O-OG 3.33Å; A94-C98 VanDerWaalsContact O-CB 3.24Å; A94-C98 WeakPolarHBondContact O-CB 3.34Å; A94-C98 PolarHBondContact O-N 2.64Å; A94-C98 PolarHBondContact O-SG 2.67Å
95I96.7Very high95.6Very high49 Ų4970.8 Ų70.825%0.25137%0.371SS..Hα-helixtrans-58.7-44.8176.7-67.6166.3000110.3I32 A90 N91 L92 C98 W99 I102I32-I95 HydrophobicContact CD1-CG2 3.54Å; I32-I95 HydrophobicContact CG1-CG2 4.07Å; A90-I95 HydrophobicContact CB-CD1 4.12Å; N91-I95 WeakPolarHBondContact O-CG1 3.43Å; N91-I95 PolarHBondContact O-N 2.91Å; L92-I95 HydrophobicContact CD2-CD1 4.48Å; L92-I95 PolarHBondContact O-N 3.28Å; I95-C98 CarbonylContact O-C 3.57Å; I95-C98 PolarHBondContact O-N 3.15Å; I95-W99 HydrophobicContact CG2-CE3 4.11Å; I95-W99 HydrophobicContact CG2-CZ3 4.34Å; I95-W99 WeakPolarHBondContact O-CA 3.08Å; I95-W99 PolarHBondContact O-N 3.21Å; I95-I102 HydrophobicContact CB-CD1 4.46Å; I95-I102 HydrophobicContact CG2-CD1 4.25Å
96K94.6Very high95.4Very high116 Ų11667.7 Ų67.750%0.50436%0.362SS..Hα-helixtrans-65.9-45.4178.7-175.1168.7178.8162.50112.2I32 N33 L92 N93 A94 C98I32-K96 HydrophobicContact CG2-CB 4.19Å; N33-K96 PolarHBondContact OD1-NZ 3.04Å; L92-K96 VanDerWaalsContact O-CB 3.31Å; L92-K96 WeakPolarHBondContact O-CB 3.35Å; L92-K96 PolarHBondContact O-N 3.39Å; N93-K96 PolarHBondContact O-N 3.3Å; A94-K96 VanDerWaalsContact C-N 3.3Å; A94-K96 PolarHBondContact O-N 3.32Å; K96-C98 VanDerWaalsContact C-N 3.27Å; K96-C98 PolarHBondContact O-N 3.09Å
97S95.9Very high94.9Very high86 Ų8673.2 Ų73.260%0.60140%0.396SS*.Hα-helixtrans-67.5-28.117960.90000113.2N93 A94N93-S97 PolarHBondContact O-N 3.28Å; N93-S97 PolarHBondContact O-OG 3.15Å; A94-S97 WeakPolarHBondContact CA-OG 3.33Å; A94-S97 PolarHBondContact O-N 3.01Å; A94-S97 PolarHBondContact O-OG 3.33Å
98C95.7Very high94.7Very high52 Ų5274.9 Ų74.935%0.35141%0.409SS..THydrogen-bonded Turntrans-106.214.1-177-60.80000113.4A94 I95 K96 N100 Q101 I102A94-C98 VanDerWaalsContact O-CB 3.24Å; A94-C98 WeakPolarHBondContact O-CB 3.34Å; A94-C98 PolarHBondContact O-N 2.64Å; A94-C98 PolarHBondContact O-SG 2.67Å; I95-C98 CarbonylContact O-C 3.57Å; I95-C98 PolarHBondContact O-N 3.15Å; K96-C98 VanDerWaalsContact C-N 3.27Å; K96-C98 PolarHBondContact O-N 3.09Å; C98-N100 VanDerWaalsContact C-N 3.31Å; C98-N100 PolarHBondContact O-N 3.34Å; C98-Q101 WeakPolarHBondContact O-CB 3.23Å; C98-Q101 PolarHBondContact O-N 3.28Å; C98-Q101 PolarHBondContact O-OE1 3.4Å; C98-I102 HydrophobicContact CB-CD1 4.15Å; C98-I102 HydrophobicContact CB-CG1 4.39Å; C98-I102 WeakPolarHBondContact O-CG1 3.37Å; C98-I102 PolarHBondContact O-N 3.01Å
99W94.5Very high94.4Very high37 Ų3773.6 Ų73.614%0.1441%0.405CS..Hα-helixtrans-58-41.4-170.4-175.6-114.5000113.4I25 L28 I32 I95 Q101 I102 T103I25-W99 WeakPolarHBondContact O-CZ2 2.89Å; L28-W99 HydrophobicContact CB-CH2 3.89Å; L28-W99 HydrophobicContact CB-CZ2 3.96Å; I32-W99 HydrophobicContact CD1-CD2 3.79Å; I32-W99 HydrophobicContact CD1-CE3 3.25Å; I32-W99 HydrophobicContact CD1-CH2 3.73Å; I32-W99 HydrophobicContact CD1-CZ2 4.19Å; I32-W99 HydrophobicContact CD1-CZ3 3.24Å; I32-W99 HydrophobicContact CG1-CZ3 4.48Å; I95-W99 HydrophobicContact CG2-CE3 4.11Å; I95-W99 HydrophobicContact CG2-CZ3 4.34Å; I95-W99 WeakPolarHBondContact O-CA 3.08Å; I95-W99 PolarHBondContact O-N 3.21Å; W99-Q101 VanDerWaalsContact C-N 3.32Å; W99-Q101 PolarHBondContact O-N 2.89Å; W99-I102 PolarHBondContact O-N 3.2Å; W99-T103 HydrophobicContact CD2-CG2 3.78Å; W99-T103 HydrophobicContact CE3-CG2 3.95Å; W99-T103 HydrophobicContact CG-CG2 4.46Å; W99-T103 HydrophobicContact CH2-CG2 3.77Å; W99-T103 HydrophobicContact CZ2-CG2 3.58Å; W99-T103 HydrophobicContact CZ3-CG2 3.93Å; W99-T103 WeakPolarHBondContact O-CB 3.31Å; W99-T103 WeakPolarHBondContact O-CG2 3.17Å; W99-T103 PolarHBondContact O-N 3.06Å; W99-T103 PolarHBondContact O-OG1 2.75Å
100N92.9Very high94Very high118 Ų11872.4 Ų72.463%0.63141%0.405SS*.Hα-helixtrans-68.3-32.9178.5-69-15.4000112.1C98 G104C98-N100 VanDerWaalsContact C-N 3.31Å; C98-N100 PolarHBondContact O-N 3.34Å; N100-G104 VanDerWaalsContact O-CA 3.24Å; N100-G104 WeakPolarHBondContact O-CA 3.38Å; N100-G104 PolarHBondContact O-N 3.47Å
101Q93.2Very high93.8Very high135 Ų13575 Ų7563%0.63143%0.433SS*.Hα-helixtrans-72.9-38.1175-63.386.9-22.900111.3C98 W99C98-Q101 WeakPolarHBondContact O-CB 3.23Å; C98-Q101 PolarHBondContact O-N 3.28Å; C98-Q101 PolarHBondContact O-OE1 3.4Å; W99-Q101 VanDerWaalsContact C-N 3.32Å; W99-Q101 PolarHBondContact O-N 2.89Å
102I93.5Very high93.7Very high97 Ų9776.3 Ų76.350%0.49743%0.43SS..Hα-helixtrans-67.9-42.8178.3-68.8165.8000111.1I95 C98 W99I95-I102 HydrophobicContact CB-CD1 4.46Å; I95-I102 HydrophobicContact CG2-CD1 4.25Å; C98-I102 HydrophobicContact CB-CD1 4.15Å; C98-I102 HydrophobicContact CB-CG1 4.39Å; C98-I102 WeakPolarHBondContact O-CG1 3.37Å; C98-I102 PolarHBondContact O-N 3.01Å; W99-I102 PolarHBondContact O-N 3.2Å
103T93.3Very high93.7Very high12 Ų1278.9 Ų78.97%0.07445%0.446CS..Hα-helixtrans-94.2-8.4-175.7620000113.7I25 W99I25-T103 HydrophobicContact CG2-CG2 3.53Å; W99-T103 HydrophobicContact CD2-CG2 3.78Å; W99-T103 HydrophobicContact CE3-CG2 3.95Å; W99-T103 HydrophobicContact CG-CG2 4.46Å; W99-T103 HydrophobicContact CH2-CG2 3.77Å; W99-T103 HydrophobicContact CZ2-CG2 3.58Å; W99-T103 HydrophobicContact CZ3-CG2 3.93Å; W99-T103 WeakPolarHBondContact O-CB 3.31Å; W99-T103 WeakPolarHBondContact O-CG2 3.17Å; W99-T103 PolarHBondContact O-N 3.06Å; W99-T103 PolarHBondContact O-OG1 2.75Å
104G92.8Very high93.7Very high31 Ų3172.8 Ų72.832%0.3241%0.414SS..SBendtrans-86.7-179.7178.300000113.1N100N100-G104 VanDerWaalsContact O-CA 3.24Å; N100-G104 WeakPolarHBondContact O-CA 3.38Å; N100-G104 PolarHBondContact O-N 3.47Å
105F92.7Very high93.7Very high56 Ų5675.1 Ų75.125%0.24642%0.421CS..  trans-126.2135.6167-165.7-95.8000109.2I3 T19 T107 L109 Y140I3-F105 HydrophobicContact CD1-CZ 3.84Å; T19-F105 HydrophobicContact CG2-CD2 4.36Å; T19-F105 HydrophobicContact CG2-CE2 3.69Å; T19-F105 HydrophobicContact CG2-CZ 3.79Å; T19-F105 WeakPolarHBondContact O-CB 3.14Å; T19-F105 WeakPolarHBondContact O-CG 2.79Å; F105-T107 PolarHBondContact O-N 2.94Å; F105-L109 HydrophobicContact CE1-CD1 4.22Å; F105-L109 HydrophobicContact CZ-CD1 4.33Å; F105-Y140 HydrophobicContact CD1-CE2 4.21Å; F105-Y140 HydrophobicContact CE1-CD1 4.13Å; F105-Y140 AromaticContact CE1-CD2 3.88Å; F105-Y140 HydrophobicContact CE1-CD2 3.88Å; F105-Y140 AromaticContact CE1-CE1 3.86Å; F105-Y140 HydrophobicContact CE1-CE1 3.86Å; F105-Y140 AromaticContact CE1-CE2 3.61Å; F105-Y140 HydrophobicContact CE1-CE2 3.61Å; F105-Y140 HydrophobicContact CE1-CG 4.14Å; F105-Y140 AromaticContact CE1-CZ 3.6Å; F105-Y140 HydrophobicContact CZ-CD1 4.47Å; F105-Y140 HydrophobicContact CZ-CD2 4.14Å; F105-Y140 HydrophobicContact CZ-CE2 4.33Å; F105-Y140 HydrophobicContact CZ-CG 4.22Å
106P91.9Very high93.6Very high65 Ų6576.6 Ų76.642%0.42243%0.427SS..  trans-64.4128.2-173.6-19.931.5000112.7D108 L109P106-D108 WeakPolarHBondContact CB-OD1 3.2Å; P106-L109 HydrophobicContact CB-CD1 3.84Å; P106-L109 HydrophobicContact CB-CG 3.97Å; P106-L109 HydrophobicContact CG-CD1 3.95Å
107T88.4Confident93.7Very high126 Ų12673 Ų7377%0.77342%0.416SS*.G310 helixtrans-80.9-25.3-176.751.50000113.2F105 L109 N110F105-T107 PolarHBondContact O-N 2.94Å; T107-L109 PolarHBondContact O-N 2.99Å; T107-N110 WeakPolarHBondContact O-CB 3.49Å; T107-N110 PolarHBondContact O-N 3.29Å
108D91.9Very high93.8Very high120 Ų12069 Ų6964%0.64239%0.387SS*.G310 helixtrans-68.8-9176.666.2-37.9000113.6P106 N110P106-D108 WeakPolarHBondContact CB-OD1 3.2Å; D108-N110 VanDerWaalsContact C-N 3.31Å
109L92.3Very high93.9Very high12 Ų1266.5 Ų66.56%0.06337%0.371CS..G310 helixtrans-83-4.2173.2-61.7177.5000113.5I3 F105 P106 T107 G111 R112 Y140I3-L109 HydrophobicContact CB-CD1 4.28Å; I3-L109 HydrophobicContact CB-CD2 4.27Å; I3-L109 HydrophobicContact CD1-CD1 3.99Å; I3-L109 HydrophobicContact CG2-CB 4.32Å; I3-L109 HydrophobicContact CG2-CD1 4.43Å; I3-L109 HydrophobicContact CG2-CD2 4.03Å; I3-L109 HydrophobicContact CG2-CG 4.49Å; F105-L109 HydrophobicContact CE1-CD1 4.22Å; F105-L109 HydrophobicContact CZ-CD1 4.33Å; P106-L109 HydrophobicContact CB-CD1 3.84Å; P106-L109 HydrophobicContact CB-CG 3.97Å; P106-L109 HydrophobicContact CG-CD1 3.95Å; T107-L109 PolarHBondContact O-N 2.99Å; L109-G111 PolarHBondContact O-N 3.43Å; L109-R112 VanDerWaalsContact O-CB 3.31Å; L109-R112 WeakPolarHBondContact O-CB 3.33Å; L109-R112 PolarHBondContact O-N 3Å; L109-Y140 HydrophobicContact CB-CE1 4.02Å; L109-Y140 WeakPolarHBondContact O-CE1 3.5Å
110N89.6Confident94Very high104 Ų10464.9 Ų64.956%0.55636%0.364SS*.THydrogen-bonded Turntrans-54.9133-178.8-169.648000111.8T107 D108 R112 K139T107-N110 WeakPolarHBondContact O-CB 3.49Å; T107-N110 PolarHBondContact O-N 3.29Å; D108-N110 VanDerWaalsContact C-N 3.31Å; N110-R112 VanDerWaalsContact C-N 3.26Å; N110-R112 PolarHBondContact O-N 3.4Å; N110-K139 WeakPolarHBondContact OD1-CE 3.39Å; N110-K139 PolarHBondContact OD1-NZ 3.19Å
111G91.6Very high94.2Very high74 Ų7459.3 Ų59.376%0.76334%0.335SS*.THydrogen-bonded Turntrans81.4-5.2-176.300000115.1L109L109-G111 PolarHBondContact O-N 3.43Å
112R95.1Very high94.4Very high133 Ų13352.9 Ų52.950%0.50230%0.304SS..  trans-95.4148.2172.9-56.2-178.2-177.9-115.6-0.3110.8I3 L109 N110 Y140I3-R112 HydrophobicContact CG2-CB 3.48Å; I3-R112 VanDerWaalsContact CG2-CB 3.48Å; L109-R112 VanDerWaalsContact O-CB 3.31Å; L109-R112 WeakPolarHBondContact O-CB 3.33Å; L109-R112 PolarHBondContact O-N 3Å; N110-R112 VanDerWaalsContact C-N 3.26Å; N110-R112 PolarHBondContact O-N 3.4Å; R112-Y140 WeakPolarHBondContact O-CD1 3.36Å
113V96.5Very high94.5Very high67 Ų6748.2 Ų48.241%0.40628%0.281SS..  trans-136.8149.8179.8-58.90000111.2N115 K139 Y140V113-N115 HydrophobicContact CG2-CB 4.29Å; V113-K139 WeakPolarHBondContact CG1-O 3.38Å; V113-Y140 CarbonylContact C-O 3.53Å; V113-Y140 WeakPolarHBondContact CA-O 3.33Å
114F97.6Very high94.5Very high0 Ų049.3 Ų49.30%029%0.289CS..  trans-102.696.8162.5-178.7-106.3000107.8I2 I3 P6 Y9 L12 Q116 V118 Y140 F141I2-F114 HydrophobicContact CG2-CB 4.4Å; I2-F114 HydrophobicContact CG2-CD1 4.23Å; I2-F114 HydrophobicContact CG2-CD2 3.43Å; I2-F114 VanDerWaalsContact CG2-CD2 3.43Å; I2-F114 HydrophobicContact CG2-CE1 4.35Å; I2-F114 HydrophobicContact CG2-CE2 3.62Å; I2-F114 HydrophobicContact CG2-CG 3.76Å; I2-F114 HydrophobicContact CG2-CZ 4.06Å; I3-F114 HydrophobicContact CG1-CB 4.38Å; P6-F114 HydrophobicContact CB-CD2 3.73Å; P6-F114 HydrophobicContact CB-CE2 4.38Å; Y9-F114 WeakPolarHBondContact O-CE2 3.43Å; Y9-F114 WeakPolarHBondContact O-CZ 3.35Å; L12-F114 HydrophobicContact CB-CE1 3.81Å; L12-F114 HydrophobicContact CB-CZ 4.46Å; F114-Q116 HydrophobicContact CD1-CB 4.19Å; F114-Q116 HydrophobicContact CE1-CB 3.6Å; F114-Q116 HydrophobicContact CE1-CG 4.44Å; F114-Q116 HydrophobicContact CE2-CB 4.09Å; F114-Q116 HydrophobicContact CE2-CG 4.06Å; F114-Q116 HydrophobicContact CZ-CB 3.54Å; F114-Q116 HydrophobicContact CZ-CG 3.97Å; F114-Q116 PolarHBondContact O-N 3.37Å; F114-V118 HydrophobicContact CD1-CG2 3.54Å; F114-V118 HydrophobicContact CE1-CG2 3.77Å; F114-Y140 PolarHBondContact N-O 2.91Å; F114-F141 HydrophobicContact CB-CD1 3.79Å; F114-F141 HydrophobicContact CB-CE1 3.84Å; F114-F141 HydrophobicContact CD1-CD1 4.02Å; F114-F141 HydrophobicContact CD1-CE1 4.25Å; F114-F141 HydrophobicContact CG-CD1 4.35Å; F114-F141 HydrophobicContact CG-CE1 4.37Å
115N96.7Very high94.3Very high87 Ų8753.5 Ų53.547%0.46530%0.304SS..  trans-90.439.7-172.6-166.941.3000113V113 P142 Q143V113-N115 HydrophobicContact CG2-CB 4.29Å; N115-P142 HydrophobicContact CB-CG 4.39Å; N115-P142 WeakPolarHBondContact OD1-CG 3.37Å; N115-Q143 PolarHBondContact O-NE2 3.21Å; N115-Q143 PolarHBondContact O-OE1 2.9Å; N115-Q143 PolarHBondContact OD1-NE2 3.14Å
116Q95.9Very high93.5Very high81 Ų8151.5 Ų51.538%0.37930%0.299SS..SBendtrans-119.3163.8174.9-62.3-64.4-11.900109D10 F114 V118 Q143D10-Q116 WeakPolarHBondContact O-CB 3.43Å; F114-Q116 HydrophobicContact CD1-CB 4.19Å; F114-Q116 HydrophobicContact CE1-CB 3.6Å; F114-Q116 HydrophobicContact CE1-CG 4.44Å; F114-Q116 HydrophobicContact CE2-CB 4.09Å; F114-Q116 HydrophobicContact CE2-CG 4.06Å; F114-Q116 HydrophobicContact CZ-CB 3.54Å; F114-Q116 HydrophobicContact CZ-CG 3.97Å; F114-Q116 PolarHBondContact O-N 3.37Å; Q116-V118 WeakPolarHBondContact O-CG2 3.48Å; Q116-V118 PolarHBondContact O-N 3.45Å; Q116-Q143 VanDerWaalsContact C-OE1 3.3Å
117P96.4Very high93.1Very high41 Ų4155.6 Ų55.627%0.26631%0.31SS..  trans-54.9131.4179.2-2735.3000112.3K11 L12 F171K11-P117 WeakPolarHBondContact CA-O 3.31Å; K11-P117 HydrophobicContact CG-CB 4.37Å; L12-P117 PolarHBondContact N-O 3.03Å; L12-P117 VanDerWaalsContact N-O 3.13Å; P117-F171 HydrophobicContact CB-CE2 4.02Å; P117-F171 HydrophobicContact CB-CZ 3.92Å
118V97.4Very high93.3Very high1 Ų151 Ų511%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-129.1134174-1710000110.1L12 V14 F114 Q116 F120 F141 Q143 S144 K145L12-V118 HydrophobicContact CB-CB 4.46Å; L12-V118 HydrophobicContact CB-CG1 3.99Å; L12-V118 HydrophobicContact CB-CG2 4.07Å; L12-V118 HydrophobicContact CD2-CG1 3.98Å; L12-V118 HydrophobicContact CD2-CG2 4.38Å; L12-V118 HydrophobicContact CG-CG1 3.96Å; L12-V118 CarbonylContact O-C 3.52Å; L12-V118 VanDerWaalsContact O-CA 3.28Å; L12-V118 WeakPolarHBondContact O-CA 3.31Å; V14-V118 HydrophobicContact CG2-CG1 4.13Å; F114-V118 HydrophobicContact CD1-CG2 3.54Å; F114-V118 HydrophobicContact CE1-CG2 3.77Å; Q116-V118 WeakPolarHBondContact O-CG2 3.48Å; Q116-V118 PolarHBondContact O-N 3.45Å; V118-F120 HydrophobicContact CB-CD2 4.47Å; V118-F120 HydrophobicContact CB-CE2 4.19Å; V118-F120 HydrophobicContact CG1-CD2 3.67Å; V118-F120 HydrophobicContact CG1-CE2 3.37Å; V118-F120 HydrophobicContact CG1-CZ 4.24Å; V118-F141 HydrophobicContact CB-CB 4.45Å; V118-F141 HydrophobicContact CG2-CB 4.12Å; V118-F141 HydrophobicContact CG2-CD1 3.73Å; V118-F141 HydrophobicContact CG2-CG 4.27Å; V118-Q143 PolarHBondContact N-O 2.79Å; V118-S144 CarbonylContact O-C 3.51Å; V118-S144 VanDerWaalsContact O-CA 3.24Å; V118-S144 WeakPolarHBondContact O-CA 3.45Å; V118-K145 PolarHBondContact O-N 3.08Å
119L97.4Very high93.4Very high0 Ų045.4 Ų45.40%025%0.249CC..EExtended strand (participates in β ladder)trans-107.8115168.7-179.562.3000109.4L12 V13 V14 V121 K145 V147 L167 F171 F177L12-L119 PolarHBondContact O-N 2.9Å; V13-L119 CarbonylContact C-O 3.21Å; V13-L119 VanDerWaalsContact CA-O 3.27Å; V13-L119 WeakPolarHBondContact CA-O 3.34Å; V13-L119 HydrophobicContact CG2-CB 4.33Å; V14-L119 PolarHBondContact N-O 3.4Å; L119-V121 HydrophobicContact CD2-CG2 4.09Å; L119-V121 HydrophobicContact CG-CG2 3.94Å; L119-K145 WeakPolarHBondContact CA-O 3.43Å; L119-K145 HydrophobicContact CD1-CB 4.22Å; L119-V147 HydrophobicContact CD1-CG1 3.89Å; L119-V147 HydrophobicContact CD1-CG2 3.83Å; L119-L167 HydrophobicContact CD2-CB 4.42Å; L119-F171 HydrophobicContact CB-CD1 3.99Å; L119-F171 HydrophobicContact CB-CD2 3.93Å; L119-F171 HydrophobicContact CB-CE1 4Å; L119-F171 HydrophobicContact CB-CE2 3.94Å; L119-F171 HydrophobicContact CB-CG 3.94Å; L119-F171 HydrophobicContact CB-CZ 3.97Å; L119-F171 HydrophobicContact CD2-CB 3.92Å; L119-F171 HydrophobicContact CD2-CD2 4.44Å; L119-F171 HydrophobicContact CD2-CG 4.04Å; L119-F177 HydrophobicContact CD1-CE1 3.82Å; L119-F177 HydrophobicContact CD1-CZ 4.12Å; L119-F177 HydrophobicContact CD2-CE1 4.21Å; L119-F177 HydrophobicContact CD2-CZ 3.88Å
120F97.6Very high93.4Very high2 Ų245.8 Ų45.81%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-93.5132.9165.7-73.2-105.2000109.6V14 V118 L129 V137 F141 K145 I146 V147V14-F120 HydrophobicContact CB-CD1 3.63Å; V14-F120 HydrophobicContact CB-CE1 3.68Å; V14-F120 HydrophobicContact CB-CG 4.11Å; V14-F120 HydrophobicContact CB-CZ 4.18Å; V14-F120 HydrophobicContact CG1-CD1 3.73Å; V14-F120 HydrophobicContact CG1-CE1 3.57Å; V14-F120 HydrophobicContact CG1-CZ 4.39Å; V14-F120 HydrophobicContact CG2-CD1 4.32Å; V14-F120 HydrophobicContact CG2-CE1 3.96Å; V14-F120 HydrophobicContact CG2-CE2 4.39Å; V14-F120 HydrophobicContact CG2-CZ 3.97Å; V14-F120 CarbonylContact O-C 3.55Å; V14-F120 WeakPolarHBondContact O-CA 3.23Å; V118-F120 HydrophobicContact CB-CD2 4.47Å; V118-F120 HydrophobicContact CB-CE2 4.19Å; V118-F120 HydrophobicContact CG1-CD2 3.67Å; V118-F120 HydrophobicContact CG1-CE2 3.37Å; V118-F120 HydrophobicContact CG1-CZ 4.24Å; F120-L129 HydrophobicContact CB-CD2 3.69Å; F120-L129 HydrophobicContact CD1-CD2 3.87Å; F120-L129 HydrophobicContact CG-CD2 4.21Å; F120-V137 HydrophobicContact CD1-CG1 4.42Å; F120-V137 HydrophobicContact CD2-CG1 3.81Å; F120-V137 HydrophobicContact CE1-CG1 4.02Å; F120-V137 HydrophobicContact CE1-CG2 4.35Å; F120-V137 HydrophobicContact CE2-CG1 3.35Å; F120-V137 HydrophobicContact CG-CG1 4.34Å; F120-V137 HydrophobicContact CZ-CG1 3.49Å; F120-V137 VanDerWaalsContact CZ-CG1 3.49Å; F120-F141 HydrophobicContact CE2-CB 4.08Å; F120-F141 AromaticContact CE2-CD2 3.89Å; F120-F141 HydrophobicContact CE2-CD2 3.89Å; F120-F141 HydrophobicContact CE2-CG 4.01Å; F120-F141 AromaticContact CZ-CD2 3.52Å; F120-F141 HydrophobicContact CZ-CD2 3.52Å; F120-F141 AromaticContact CZ-CE2 3.79Å; F120-F141 HydrophobicContact CZ-CE2 3.79Å; F120-F141 HydrophobicContact CZ-CG 4.08Å; F120-K145 PolarHBondContact N-O 2.99Å; F120-I146 HydrophobicContact CB-CB 4.34Å; F120-I146 HydrophobicContact CB-CG1 4.01Å; F120-I146 HydrophobicContact CB-CG2 4.12Å; F120-I146 HydrophobicContact CD2-CG1 4.28Å; F120-I146 HydrophobicContact CG-CG1 4.35Å; F120-V147 WeakPolarHBondContact O-CG2 3.44Å; F120-V147 PolarHBondContact O-N 2.73Å
121V97Very high93.6Very high1 Ų147.5 Ų47.51%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-117.9105.6179.9-1770000108.8V13 V14 F15 D16 L119 V147 I149 V156V13-V121 HydrophobicContact CG1-CG2 4.27Å; V14-V121 PolarHBondContact O-N 3.19Å; F15-V121 HydrophobicContact CD1-CB 3.7Å; F15-V121 HydrophobicContact CD1-CG1 4.06Å; F15-V121 HydrophobicContact CD1-CG2 4.23Å; F15-V121 HydrophobicContact CE1-CB 3.78Å; F15-V121 HydrophobicContact CE1-CG1 4.01Å; F15-V121 HydrophobicContact CE1-CG2 3.85Å; D16-V121 WeakPolarHBondContact CA-O 3.46Å; D16-V121 PolarHBondContact N-O 3.35Å; L119-V121 HydrophobicContact CD2-CG2 4.09Å; L119-V121 HydrophobicContact CG-CG2 3.94Å; V121-V147 CarbonylContact C-O 3.57Å; V121-V147 WeakPolarHBondContact CA-O 3.26Å; V121-V147 HydrophobicContact CB-CG2 4.46Å; V121-V147 HydrophobicContact CG2-CG2 4.09Å; V121-I149 HydrophobicContact CG1-CD1 3.55Å; V121-I149 HydrophobicContact CG1-CG1 3.81Å; V121-V156 HydrophobicContact CG1-CG2 4.24Å
122A96.6Very high93.6Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-89.3151.2177.200000111.7L129 V147 Q148 I149 I188A122-L129 HydrophobicContact CB-CB 4.1Å; A122-L129 HydrophobicContact CB-CD2 4.02Å; A122-L129 HydrophobicContact CB-CG 4.11Å; A122-V147 PolarHBondContact N-O 2.88Å; A122-Q148 HydrophobicContact CB-CB 4.39Å; A122-Q148 HydrophobicContact CB-CG 4.4Å; A122-Q148 WeakPolarHBondContact O-CA 3.25Å; A122-I149 PolarHBondContact O-N 3.16Å; A122-I149 VanDerWaalsContact O-N 3.1Å; A122-I188 HydrophobicContact CB-CD1 4.15Å
123A95.5Very high93.6Very high0 Ų043 Ų430%024%0.238CC..EExtended strand (participates in β ladder)trans-79.2144.3167.500000111.9D16 D125 G126 Q148 T152 G153 V156D16-A123 PolarHBondContact OD1-N 2.94Å; A123-D125 VanDerWaalsContact C-N 3.35Å; A123-G126 PolarHBondContact O-N 2.9Å; A123-Q148 PolarHBondContact O-NE2 3.3Å; A123-T152 WeakPolarHBondContact CA-OG1 3.47Å; A123-G153 WeakPolarHBondContact CB-O 3.29Å; A123-V156 HydrophobicContact CB-CG1 3.57Å
124S93Very high93.6Very high35 Ų3540 Ų4025%0.24522%0.219CC..SBendtrans-59.2-43.6171.862.30000113.4G126 I149 N151 T152S124-G126 VanDerWaalsContact C-N 3.25Å; S124-G126 PolarHBondContact O-N 3.18Å; S124-I149 VanDerWaalsContact CB-O 3.28Å; S124-I149 WeakPolarHBondContact CB-O 3.44Å; S124-I149 PolarHBondContact N-O 2.7Å; S124-I149 VanDerWaalsContact N-O 3.14Å; S124-N151 WeakPolarHBondContact OG-CA 3.25Å; S124-N151 PolarHBondContact OG-N 2.92Å; S124-T152 PolarHBondContact N-O 2.96Å; S124-T152 PolarHBondContact N-OG1 3.44Å; S124-T152 PolarHBondContact OG-N 3.18Å; S124-T152 PolarHBondContact OG-O 2.89Å
125D88.7Confident93.5Very high118 Ų11844.5 Ų44.563%0.63125%0.249SC*.SBendtrans-90.2-1-175-58.92.6000111.2A123 T152A123-D125 VanDerWaalsContact C-N 3.35Å; D125-T152 WeakPolarHBondContact CB-O 3.12Å; D125-T152 PolarHBondContact N-O 2.95Å
126G77.2Confident93.5Very high15 Ų1541.6 Ų41.616%0.15524%0.237CC..  trans-81.8143.4-171.500000113.8A123 S124 H154A123-G126 PolarHBondContact O-N 2.9Å; S124-G126 VanDerWaalsContact C-N 3.25Å; S124-G126 PolarHBondContact O-N 3.18Å; G126-H154 WeakPolarHBondContact CA-CE1 3.45Å
127K83.2Confident93.5Very high150 Ų15037.8 Ų37.865%0.65222%0.219SC*.SBendtrans-100.26.3171.4-60.9-178.8-178.3178.10113.5H154K127-H154 PolarHBondContact N-CE1 3.38Å; K127-H154 VanDerWaalsContact N-CE1 3.32Å
128Y91.9Very high93.5Very high30 Ų3040.9 Ų40.912%0.11823%0.226CC..SBendtrans-89-25.6-169.5-65.2-8.7000113.8D16 S18 K22 T24 I25 H154D16-Y128 WeakPolarHBondContact O-CB 3.33Å; D16-Y128 VanDerWaalsContact O-CD2 3.29Å; D16-Y128 WeakPolarHBondContact O-CD2 3.24Å; D16-Y128 WeakPolarHBondContact OD2-CD2 3.23Å; S18-Y128 VanDerWaalsContact CB-O 3.23Å; S18-Y128 WeakPolarHBondContact CB-O 3.47Å; S18-Y128 PolarHBondContact N-O 3.43Å; K22-Y128 WeakPolarHBondContact CE-O 3.24Å; T24-Y128 HydrophobicContact CG2-CE1 3.68Å; I25-Y128 HydrophobicContact CB-CE1 4.5Å; I25-Y128 HydrophobicContact CD1-CD1 4Å; I25-Y128 HydrophobicContact CD1-CD2 4.12Å; I25-Y128 HydrophobicContact CD1-CE1 4.18Å; I25-Y128 HydrophobicContact CD1-CE2 4.28Å; I25-Y128 HydrophobicContact CD1-CG 3.99Å; I25-Y128 HydrophobicContact CG1-CD1 3.6Å; I25-Y128 HydrophobicContact CG1-CD2 4.19Å; I25-Y128 HydrophobicContact CG1-CE1 3.33Å; I25-Y128 HydrophobicContact CG1-CE2 3.94Å; I25-Y128 HydrophobicContact CG1-CG 4.05Å; Y128-H154 AromaticContact CD1-CE1 3.43Å; Y128-H154 VanDerWaalsContact CD1-CE1 3.43Å; Y128-H154 WeakPolarHBondContact CD1-CE1 3.17Å; Y128-H154 AromaticContact CD2-CE1 3.48Å; Y128-H154 VanDerWaalsContact CD2-CE1 3.48Å; Y128-H154 WeakPolarHBondContact CD2-CE1 3.31Å; Y128-H154 AromaticContact CD2-ND1 3.23Å; Y128-H154 WeakPolarHBondContact CD2-ND1 3.26Å; Y128-H154 AromaticContact CE1-CE1 3.45Å; Y128-H154 VanDerWaalsContact CE1-CE1 3.45Å; Y128-H154 WeakPolarHBondContact CE1-CE1 3.41Å; Y128-H154 AromaticContact CE1-NE2 3.75Å; Y128-H154 HydrophobicContact CE2-CB 4.22Å; Y128-H154 AromaticContact CE2-CE1 3.55Å; Y128-H154 AromaticContact CE2-CG 3.72Å; Y128-H154 AromaticContact CE2-ND1 3.34Å; Y128-H154 VanDerWaalsContact CE2-ND1 3.34Å; Y128-H154 WeakPolarHBondContact CE2-ND1 3.29Å; Y128-H154 AromaticContact CG-CE1 3.43Å; Y128-H154 VanDerWaalsContact CG-CE1 3.43Å; Y128-H154 AromaticContact CG-ND1 3.63Å; Y128-H154 AromaticContact CZ-CE1 3.52Å; Y128-H154 AromaticContact CZ-ND1 3.78Å; Y128-H154 AromaticContact CZ-NE2 3.72Å
129L94.5Very high93.5Very high2 Ų245.8 Ų45.81%0.0125%0.247CC..SBendtrans-147.8121178.117861.7000109.6F120 A122 D133 V137 I146F120-L129 HydrophobicContact CB-CD2 3.69Å; F120-L129 HydrophobicContact CD1-CD2 3.87Å; F120-L129 HydrophobicContact CG-CD2 4.21Å; A122-L129 HydrophobicContact CB-CB 4.1Å; A122-L129 HydrophobicContact CB-CD2 4.02Å; A122-L129 HydrophobicContact CB-CG 4.11Å; L129-D133 HydrophobicContact CD1-CB 3.81Å; L129-V137 HydrophobicContact CD1-CG2 4.04Å; L129-I146 HydrophobicContact CD1-CG2 4.48Å; L129-I146 HydrophobicContact CD2-CG2 3.99Å; L129-I146 HydrophobicContact CG-CG2 4.23Å
130G91.7Very high93.4Very high21 Ų2146.8 Ų46.822%0.21625%0.25CS..  trans-149.8-169.7177.700000112.9S132 D133G130-S132 PolarHBondContact O-N 3Å; G130-D133 PolarHBondContact N-OD2 3.06Å; G130-D133 WeakPolarHBondContact O-CB 3.38Å; G130-D133 PolarHBondContact O-N 3.28Å
131Q93.1Very high93.4Very high139 Ų13947.4 Ų47.465%0.6525%0.253SS*.G310 helixtrans-61.2-30.2-174-165.4175.527.200113.9D133 L134 I188 K189Q131-D133 PolarHBondContact O-N 3.21Å; Q131-L134 HydrophobicContact CG-CD1 3.88Å; Q131-L134 VanDerWaalsContact O-CG 3.27Å; Q131-L134 WeakPolarHBondContact O-CG 3.38Å; Q131-L134 PolarHBondContact O-N 3.21Å; Q131-I188 HydrophobicContact CB-CG2 4.04Å; Q131-I188 HydrophobicContact CG-CG2 4.34Å; Q131-K189 PolarHBondContact NE2-O 3.41Å
132S93.7Very high93.4Very high107 Ų10750.2 Ų50.275%0.74827%0.272SS*.G310 helixtrans-70.4-16.3176.955.80000113.6G130G130-S132 PolarHBondContact O-N 3Å
133D94.9Very high93.4Very high5 Ų554.3 Ų54.33%0.02729%0.291CS..G310 helixtrans-87.3-18.3179.4-66.2-69.9000113.6S18 K22 L129 G130 Q131 P135 A136 V137S18-D133 WeakPolarHBondContact CB-OD1 3.41Å; S18-D133 WeakPolarHBondContact OG-CB 3.31Å; S18-D133 PolarHBondContact OG-OD1 3.4Å; K22-D133 VanDerWaalsContact CE-OD1 3.31Å; K22-D133 WeakPolarHBondContact CE-OD1 3.36Å; K22-D133 WeakPolarHBondContact CE-OD2 3.47Å; K22-D133 IonicContact NZ-OD1 3.16Å; K22-D133 PolarHBondContact NZ-OD1 2.95Å; K22-D133 IonicContact NZ-OD2 2.73Å; K22-D133 PolarHBondContact NZ-OD2 3.16Å; L129-D133 HydrophobicContact CD1-CB 3.81Å; G130-D133 PolarHBondContact N-OD2 3.06Å; G130-D133 WeakPolarHBondContact O-CB 3.38Å; G130-D133 PolarHBondContact O-N 3.28Å; Q131-D133 PolarHBondContact O-N 3.21Å; D133-P135 VanDerWaalsContact C-CD 3.45Å; D133-P135 VanDerWaalsContact C-N 3.32Å; D133-A136 PolarHBondContact O-N 2.99Å; D133-V137 HydrophobicContact CB-CG2 4.34Å; D133-V137 PolarHBondContact O-N 2.98Å
134L95.7Very high93.4Very high5 Ų555 Ų553%0.02630%0.296CS..Hα-helixtrans-53.5-43.3-172.5-50.1176.1000112.7Q131 A136 V137 R138 I146 I188 K189Q131-L134 HydrophobicContact CG-CD1 3.88Å; Q131-L134 VanDerWaalsContact O-CG 3.27Å; Q131-L134 WeakPolarHBondContact O-CG 3.38Å; Q131-L134 PolarHBondContact O-N 3.21Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 3.2Å; L134-V137 PolarHBondContact O-N 2.83Å; L134-R138 VanDerWaalsContact O-CB 3.25Å; L134-R138 WeakPolarHBondContact O-CB 3.29Å; L134-R138 VanDerWaalsContact O-CG 3.22Å; L134-R138 WeakPolarHBondContact O-CG 3.41Å; L134-R138 PolarHBondContact O-N 3.43Å; L134-I146 HydrophobicContact CD2-CB 4.04Å; L134-I146 HydrophobicContact CD2-CD1 3.3Å; L134-I146 HydrophobicContact CD2-CG1 4.18Å; L134-I146 HydrophobicContact CD2-CG2 4.06Å; L134-I146 HydrophobicContact CG-CD1 4.48Å; L134-I188 HydrophobicContact CD1-CG2 4.19Å; L134-I188 HydrophobicContact CD2-CB 4.37Å; L134-I188 HydrophobicContact CD2-CG2 3.96Å; L134-I188 HydrophobicContact CG-CG2 4.48Å; L134-K189 WeakPolarHBondContact CD1-OXT 3.37Å
135P96Very high93.6Very high94 Ų9456.7 Ų56.761%0.6130%0.299SS*.Hα-helixtrans-62.5-40.7177.3-22.835.3000112.7D133 K139D133-P135 VanDerWaalsContact C-CD 3.45Å; D133-P135 VanDerWaalsContact C-N 3.32Å; P135-K139 WeakPolarHBondContact O-CB 3.19Å; P135-K139 PolarHBondContact O-N 3.09Å
136A95.2Very high93.9Very high27 Ų2751.2 Ų51.222%0.22327%0.269CS..Hα-helixtrans-69.3-41.6179.600000111.4T19 T20 D133 L134 K139 Y140T19-A136 PolarHBondContact OG1-O 3.24Å; T19-A136 VanDerWaalsContact OG1-O 3.1Å; T20-A136 WeakPolarHBondContact OG1-CB 3.37Å; D133-A136 PolarHBondContact O-N 2.99Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 3.2Å; A136-K139 WeakPolarHBondContact O-CB 3.43Å; A136-K139 PolarHBondContact O-N 3.07Å; A136-Y140 WeakPolarHBondContact O-CD2 3.35Å
137V97.2Very high94.9Very high0 Ų050.5 Ų50.50%026%0.262CS..Hα-helixtrans-64-50.6175.9172.70000110.4T19 F120 L129 D133 L134 K139 Y140 F141 I146T19-V137 HydrophobicContact CG2-CG2 4.42Å; T19-V137 PolarHBondContact OG1-N 2.95Å; F120-V137 HydrophobicContact CD1-CG1 4.42Å; F120-V137 HydrophobicContact CD2-CG1 3.81Å; F120-V137 HydrophobicContact CE1-CG1 4.02Å; F120-V137 HydrophobicContact CE1-CG2 4.35Å; F120-V137 HydrophobicContact CE2-CG1 3.35Å; F120-V137 HydrophobicContact CG-CG1 4.34Å; F120-V137 HydrophobicContact CZ-CG1 3.49Å; F120-V137 VanDerWaalsContact CZ-CG1 3.49Å; L129-V137 HydrophobicContact CD1-CG2 4.04Å; D133-V137 HydrophobicContact CB-CG2 4.34Å; D133-V137 PolarHBondContact O-N 2.98Å; L134-V137 PolarHBondContact O-N 2.83Å; V137-K139 PolarHBondContact O-N 2.9Å; V137-Y140 PolarHBondContact O-N 3.23Å; V137-F141 HydrophobicContact CG1-CB 4.41Å; V137-F141 HydrophobicContact CG1-CD2 4.26Å; V137-F141 PolarHBondContact O-N 2.91Å; V137-I146 HydrophobicContact CB-CD1 3.99Å; V137-I146 HydrophobicContact CG1-CD1 3.71Å; V137-I146 HydrophobicContact CG1-CG1 4.5Å; V137-I146 HydrophobicContact CG2-CD1 4.44Å
138R96.4Very high95.5Very high107 Ų10746.2 Ų46.240%0.40424%0.244SC..Hα-helixtrans-63.6-23.6-179-70.2174.9-176.4156.55.7113L134 Y140 P142 K189L134-R138 VanDerWaalsContact O-CB 3.25Å; L134-R138 WeakPolarHBondContact O-CB 3.29Å; L134-R138 VanDerWaalsContact O-CG 3.22Å; L134-R138 WeakPolarHBondContact O-CG 3.41Å; L134-R138 PolarHBondContact O-N 3.43Å; R138-Y140 VanDerWaalsContact C-N 3.28Å; R138-Y140 PolarHBondContact O-N 3.21Å; R138-P142 WeakPolarHBondContact O-CA 3.4Å; R138-K189 PolarHBondContact NH2-OXT 3.14Å
139K96.2Very high95.8Very high103 Ų10344.8 Ų44.845%0.44824%0.239SC..Hα-helixtrans-59.2-37172-177.9-177174.5-173.30112.7N110 V113 P135 A136 V137N110-K139 WeakPolarHBondContact OD1-CE 3.39Å; N110-K139 PolarHBondContact OD1-NZ 3.19Å; V113-K139 WeakPolarHBondContact CG1-O 3.38Å; P135-K139 WeakPolarHBondContact O-CB 3.19Å; P135-K139 PolarHBondContact O-N 3.09Å; A136-K139 WeakPolarHBondContact O-CB 3.43Å; A136-K139 PolarHBondContact O-N 3.07Å; V137-K139 PolarHBondContact O-N 2.9Å
140Y97.1Very high95.8Very high21 Ų2146.7 Ų46.78%0.08226%0.255CS..Hα-helixtrans-103.7-26.4-179.6-62-80000112.7I3 T19 F105 L109 R112 V113 F114 A136 V137 R138I3-Y140 HydrophobicContact CD1-CD1 4.05Å; I3-Y140 HydrophobicContact CD1-CG 4.2Å; T19-Y140 HydrophobicContact CG2-CD2 4.08Å; F105-Y140 HydrophobicContact CD1-CE2 4.21Å; F105-Y140 HydrophobicContact CE1-CD1 4.13Å; F105-Y140 AromaticContact CE1-CD2 3.88Å; F105-Y140 HydrophobicContact CE1-CD2 3.88Å; F105-Y140 AromaticContact CE1-CE1 3.86Å; F105-Y140 HydrophobicContact CE1-CE1 3.86Å; F105-Y140 AromaticContact CE1-CE2 3.61Å; F105-Y140 HydrophobicContact CE1-CE2 3.61Å; F105-Y140 HydrophobicContact CE1-CG 4.14Å; F105-Y140 AromaticContact CE1-CZ 3.6Å; F105-Y140 HydrophobicContact CZ-CD1 4.47Å; F105-Y140 HydrophobicContact CZ-CD2 4.14Å; F105-Y140 HydrophobicContact CZ-CE2 4.33Å; F105-Y140 HydrophobicContact CZ-CG 4.22Å; L109-Y140 HydrophobicContact CB-CE1 4.02Å; L109-Y140 WeakPolarHBondContact O-CE1 3.5Å; R112-Y140 WeakPolarHBondContact O-CD1 3.36Å; V113-Y140 CarbonylContact C-O 3.53Å; V113-Y140 WeakPolarHBondContact CA-O 3.33Å; F114-Y140 PolarHBondContact N-O 2.91Å; A136-Y140 WeakPolarHBondContact O-CD2 3.35Å; V137-Y140 PolarHBondContact O-N 3.23Å; R138-Y140 VanDerWaalsContact C-N 3.28Å; R138-Y140 PolarHBondContact O-N 3.21Å
141F97.2Very high96Very high15 Ų1552.7 Ų52.77%0.06628%0.282CS..  trans-129.472.4-174.4-54.7-74.4000110.1I3 L12 T19 F114 V118 F120 V137 Q143 S144I3-F141 HydrophobicContact CD1-CE1 4.21Å; I3-F141 HydrophobicContact CD1-CE2 4.18Å; I3-F141 HydrophobicContact CD1-CZ 3.66Å; I3-F141 HydrophobicContact CG1-CE1 4.01Å; I3-F141 HydrophobicContact CG1-CZ 3.96Å; L12-F141 HydrophobicContact CD2-CD1 4.43Å; L12-F141 HydrophobicContact CD2-CE1 3.79Å; L12-F141 HydrophobicContact CD2-CZ 4.33Å; T19-F141 HydrophobicContact CG2-CD2 3.99Å; T19-F141 HydrophobicContact CG2-CE2 3.6Å; F114-F141 HydrophobicContact CB-CD1 3.79Å; F114-F141 HydrophobicContact CB-CE1 3.84Å; F114-F141 HydrophobicContact CD1-CD1 4.02Å; F114-F141 HydrophobicContact CD1-CE1 4.25Å; F114-F141 HydrophobicContact CG-CD1 4.35Å; F114-F141 HydrophobicContact CG-CE1 4.37Å; V118-F141 HydrophobicContact CB-CB 4.45Å; V118-F141 HydrophobicContact CG2-CB 4.12Å; V118-F141 HydrophobicContact CG2-CD1 3.73Å; V118-F141 HydrophobicContact CG2-CG 4.27Å; F120-F141 HydrophobicContact CE2-CB 4.08Å; F120-F141 AromaticContact CE2-CD2 3.89Å; F120-F141 HydrophobicContact CE2-CD2 3.89Å; F120-F141 HydrophobicContact CE2-CG 4.01Å; F120-F141 AromaticContact CZ-CD2 3.52Å; F120-F141 HydrophobicContact CZ-CD2 3.52Å; F120-F141 AromaticContact CZ-CE2 3.79Å; F120-F141 HydrophobicContact CZ-CE2 3.79Å; F120-F141 HydrophobicContact CZ-CG 4.08Å; V137-F141 HydrophobicContact CG1-CB 4.41Å; V137-F141 HydrophobicContact CG1-CD2 4.26Å; V137-F141 PolarHBondContact O-N 2.91Å; F141-Q143 PolarHBondContact O-N 3.17Å; F141-S144 VanDerWaalsContact O-CB 3.23Å; F141-S144 WeakPolarHBondContact O-CB 3.43Å; F141-S144 PolarHBondContact O-N 3.4Å; F141-S144 VanDerWaalsContact O-N 3.07Å; F141-S144 PolarHBondContact O-OG 2.89Å
142P96.8Very high96.1Very high61 Ų6146.1 Ų46.140%0.39625%0.251SS..THydrogen-bonded Turntrans-63.7-25.6-172.724.4-35.7000113.9N115 R138 S144N115-P142 HydrophobicContact CB-CG 4.39Å; N115-P142 WeakPolarHBondContact OD1-CG 3.37Å; R138-P142 WeakPolarHBondContact O-CA 3.4Å; P142-S144 VanDerWaalsContact C-N 3.33Å
143Q96.2Very high96Very high85 Ų8542.1 Ų42.140%0.39723%0.227SC..THydrogen-bonded Turntrans-96.323.8176.5-59.4-175.1-100112.8N115 Q116 V118 F141N115-Q143 PolarHBondContact O-NE2 3.21Å; N115-Q143 PolarHBondContact O-OE1 2.9Å; N115-Q143 PolarHBondContact OD1-NE2 3.14Å; Q116-Q143 VanDerWaalsContact C-OE1 3.3Å; V118-Q143 PolarHBondContact N-O 2.79Å; F141-Q143 PolarHBondContact O-N 3.17Å
144S96.6Very high95.7Very high16 Ų1644.9 Ų44.911%0.11224%0.239CC..EExtended strand (participates in β ladder)trans-75.1134.7179.452.60000112.4V118 F141 P142V118-S144 CarbonylContact O-C 3.51Å; V118-S144 VanDerWaalsContact O-CA 3.24Å; V118-S144 WeakPolarHBondContact O-CA 3.45Å; F141-S144 VanDerWaalsContact O-CB 3.23Å; F141-S144 WeakPolarHBondContact O-CB 3.43Å; F141-S144 PolarHBondContact O-N 3.4Å; F141-S144 VanDerWaalsContact O-N 3.07Å; F141-S144 PolarHBondContact O-OG 2.89Å; P142-S144 VanDerWaalsContact C-N 3.33Å
145K95.8Very high95.5Very high69 Ų6947.9 Ų47.930%0.325%0.25SS..EExtended strand (participates in β ladder)trans-99.4136.4156.1-66.9-170.8179.5-170.10108.1V118 L119 F120 F177 P179V118-K145 PolarHBondContact O-N 3.08Å; L119-K145 WeakPolarHBondContact CA-O 3.43Å; L119-K145 HydrophobicContact CD1-CB 4.22Å; F120-K145 PolarHBondContact N-O 2.99Å; K145-F177 HydrophobicContact CD-CD1 4.09Å; K145-F177 HydrophobicContact CD-CE1 4.24Å; K145-F177 PolarHBondContact NZ-O 3.09Å; K145-P179 HydrophobicContact CD-CG 4.42Å
146I96.3Very high95.5Very high3 Ų343.4 Ų43.42%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-121.8116-176.8-55.6175.4000106.4F120 L129 L134 V137 I188F120-I146 HydrophobicContact CB-CB 4.34Å; F120-I146 HydrophobicContact CB-CG1 4.01Å; F120-I146 HydrophobicContact CB-CG2 4.12Å; F120-I146 HydrophobicContact CD2-CG1 4.28Å; F120-I146 HydrophobicContact CG-CG1 4.35Å; L129-I146 HydrophobicContact CD1-CG2 4.48Å; L129-I146 HydrophobicContact CD2-CG2 3.99Å; L129-I146 HydrophobicContact CG-CG2 4.23Å; L134-I146 HydrophobicContact CD2-CB 4.04Å; L134-I146 HydrophobicContact CD2-CD1 3.3Å; L134-I146 HydrophobicContact CD2-CG1 4.18Å; L134-I146 HydrophobicContact CD2-CG2 4.06Å; L134-I146 HydrophobicContact CG-CD1 4.48Å; V137-I146 HydrophobicContact CB-CD1 3.99Å; V137-I146 HydrophobicContact CG1-CD1 3.71Å; V137-I146 HydrophobicContact CG1-CG1 4.5Å; V137-I146 HydrophobicContact CG2-CD1 4.44Å; I146-I188 HydrophobicContact CG2-CB 4.27Å; I146-I188 HydrophobicContact CG2-CD1 4.1Å; I146-I188 PolarHBondContact O-N 3.32Å
147V96.6Very high95.4Very high0 Ų047.3 Ų47.30%024%0.235CC..EExtended strand (participates in β ladder)trans-122.3153.6-175.4-55.10000110.1L119 F120 V121 A122 L167 P179 V185 T186L119-V147 HydrophobicContact CD1-CG1 3.89Å; L119-V147 HydrophobicContact CD1-CG2 3.83Å; F120-V147 WeakPolarHBondContact O-CG2 3.44Å; F120-V147 PolarHBondContact O-N 2.73Å; V121-V147 CarbonylContact C-O 3.57Å; V121-V147 WeakPolarHBondContact CA-O 3.26Å; V121-V147 HydrophobicContact CB-CG2 4.46Å; V121-V147 HydrophobicContact CG2-CG2 4.09Å; A122-V147 PolarHBondContact N-O 2.88Å; V147-L167 HydrophobicContact CG2-CD1 4.45Å; V147-P179 HydrophobicContact CG1-CB 3.51Å; V147-P179 HydrophobicContact CG1-CG 3.96Å; V147-V185 HydrophobicContact CB-CG1 3.6Å; V147-V185 HydrophobicContact CG1-CG1 4.15Å; V147-V185 HydrophobicContact CG2-CG1 3.93Å; V147-T186 CarbonylContact C-O 3.6Å; V147-T186 VanDerWaalsContact CA-O 3.31Å; V147-T186 WeakPolarHBondContact CA-O 3.49Å
148Q96.8Very high95.2Very high60 Ų6053.5 Ų53.528%0.2826%0.262SS..EExtended strand (participates in β ladder)trans-120.1132.2175.1-171.1172.157.400109.3A122 A123 V185 T186 I188A122-Q148 HydrophobicContact CB-CB 4.39Å; A122-Q148 HydrophobicContact CB-CG 4.4Å; A122-Q148 WeakPolarHBondContact O-CA 3.25Å; A123-Q148 PolarHBondContact O-NE2 3.3Å; Q148-V185 WeakPolarHBondContact O-CA 3.34Å; Q148-T186 PolarHBondContact N-O 3.36Å; Q148-T186 PolarHBondContact O-N 3.01Å; Q148-I188 HydrophobicContact CB-CD1 3.98Å; Q148-I188 HydrophobicContact CB-CG1 4.15Å
149I97Very high95.1Very high0 Ų051.8 Ų51.80%026%0.261CS..EExtended strand (participates in β ladder)trans-92132.3172.5-53.5-179.3000108.4V121 A122 S124 T152 A160 T163 V164 L167 V185V121-I149 HydrophobicContact CG1-CD1 3.55Å; V121-I149 HydrophobicContact CG1-CG1 3.81Å; A122-I149 PolarHBondContact O-N 3.16Å; A122-I149 VanDerWaalsContact O-N 3.1Å; S124-I149 VanDerWaalsContact CB-O 3.28Å; S124-I149 WeakPolarHBondContact CB-O 3.44Å; S124-I149 PolarHBondContact N-O 2.7Å; S124-I149 VanDerWaalsContact N-O 3.14Å; I149-T152 HydrophobicContact CB-CG2 3.98Å; I149-T152 HydrophobicContact CG2-CG2 3.67Å; I149-T152 PolarHBondContact O-OG1 2.98Å; I149-T152 VanDerWaalsContact O-OG1 3.06Å; I149-A160 HydrophobicContact CG2-CB 3.79Å; I149-T163 HydrophobicContact CD1-CG2 4.06Å; I149-T163 HydrophobicContact CG1-CG2 4.36Å; I149-T163 HydrophobicContact CG2-CG2 4.05Å; I149-V164 HydrophobicContact CD1-CG2 3.51Å; I149-L167 HydrophobicContact CD1-CD1 3.74Å; I149-L167 HydrophobicContact CG1-CD1 4.01Å; I149-V185 HydrophobicContact CG1-CG2 4.34Å
150A95.9Very high95.1Very high42 Ų4247.5 Ų47.535%0.34724%0.244SC..THydrogen-bonded Turntrans-71.1148.3179.100000112.4T152 D184A150-T152 VanDerWaalsContact C-N 3.33Å; A150-T152 PolarHBondContact O-N 3.42Å; A150-D184 PolarHBondContact N-O 2.94Å
151N95.1Very high95.1Very high148 Ų14849.5 Ų49.579%0.79126%0.26SS*.THydrogen-bonded Turntrans58.837.4175.6-48.3-57.3000114.3S124S124-N151 WeakPolarHBondContact OG-CA 3.25Å; S124-N151 PolarHBondContact OG-N 2.92Å
152T94.8Very high95.1Very high1 Ų154.8 Ų54.81%0.00629%0.289CS..  trans-122.8138.1177.961.80000111.2A123 S124 D125 I149 A150 D159 A160A123-T152 WeakPolarHBondContact CA-OG1 3.47Å; S124-T152 PolarHBondContact N-O 2.96Å; S124-T152 PolarHBondContact N-OG1 3.44Å; S124-T152 PolarHBondContact OG-N 3.18Å; S124-T152 PolarHBondContact OG-O 2.89Å; D125-T152 WeakPolarHBondContact CB-O 3.12Å; D125-T152 PolarHBondContact N-O 2.95Å; I149-T152 HydrophobicContact CB-CG2 3.98Å; I149-T152 HydrophobicContact CG2-CG2 3.67Å; I149-T152 PolarHBondContact O-OG1 2.98Å; I149-T152 VanDerWaalsContact O-OG1 3.06Å; A150-T152 VanDerWaalsContact C-N 3.33Å; A150-T152 PolarHBondContact O-N 3.42Å; T152-D159 HydrophobicContact CG2-CB 3.85Å; T152-A160 HydrophobicContact CG2-CB 3.65Å
153G91.4Very high95.2Very high22 Ų2252.9 Ų52.923%0.22728%0.276CS..  trans-80.7-168.9160.300000112.1A123 W155 V156 D159A123-G153 WeakPolarHBondContact CB-O 3.29Å; G153-W155 PolarHBondContact O-N 3.35Å; G153-V156 PolarHBondContact O-N 2.83Å; G153-D159 WeakPolarHBondContact CA-OD2 3.31Å; G153-D159 PolarHBondContact N-OD2 2.92Å
154H90.6Very high95.2Very high63 Ų6349.1 Ų49.129%0.29226%0.259SS..SBendtrans-62.2-13.2-174.2-71.8-64.3000115.3D16 G126 K127 Y128D16-H154 VanDerWaalsContact OD2-CA 3.31Å; D16-H154 WeakPolarHBondContact OD2-CA 3.32Å; D16-H154 IonicContact OD2-CE1 2.68Å; D16-H154 IonicContact OD2-CG 3.77Å; D16-H154 IonicContact OD2-ND1 2.61Å; D16-H154 PolarHBondContact OD2-ND1 3.3Å; G126-H154 WeakPolarHBondContact CA-CE1 3.45Å; K127-H154 PolarHBondContact N-CE1 3.38Å; K127-H154 VanDerWaalsContact N-CE1 3.32Å; Y128-H154 AromaticContact CD1-CE1 3.43Å; Y128-H154 VanDerWaalsContact CD1-CE1 3.43Å; Y128-H154 WeakPolarHBondContact CD1-CE1 3.17Å; Y128-H154 AromaticContact CD2-CE1 3.48Å; Y128-H154 VanDerWaalsContact CD2-CE1 3.48Å; Y128-H154 WeakPolarHBondContact CD2-CE1 3.31Å; Y128-H154 AromaticContact CD2-ND1 3.23Å; Y128-H154 WeakPolarHBondContact CD2-ND1 3.26Å; Y128-H154 AromaticContact CE1-CE1 3.45Å; Y128-H154 VanDerWaalsContact CE1-CE1 3.45Å; Y128-H154 WeakPolarHBondContact CE1-CE1 3.41Å; Y128-H154 AromaticContact CE1-NE2 3.75Å; Y128-H154 HydrophobicContact CE2-CB 4.22Å; Y128-H154 AromaticContact CE2-CE1 3.55Å; Y128-H154 AromaticContact CE2-CG 3.72Å; Y128-H154 AromaticContact CE2-ND1 3.34Å; Y128-H154 VanDerWaalsContact CE2-ND1 3.34Å; Y128-H154 WeakPolarHBondContact CE2-ND1 3.29Å; Y128-H154 AromaticContact CG-CE1 3.43Å; Y128-H154 VanDerWaalsContact CG-CE1 3.43Å; Y128-H154 AromaticContact CG-ND1 3.63Å; Y128-H154 AromaticContact CZ-CE1 3.52Å; Y128-H154 AromaticContact CZ-ND1 3.78Å; Y128-H154 AromaticContact CZ-NE2 3.72Å
155W90.9Very high95.3Very high68 Ų6852 Ų5226%0.25828%0.276SS..  trans-103.166.7172.1-60.8-42.8000110.2T70 M71 F74 G153 H157 F158 D159T70-W155 HydrophobicContact CG2-CZ3 3.99Å; M71-W155 HydrophobicContact CB-CH2 4.41Å; M71-W155 HydrophobicContact SD-CH2 3.5Å; M71-W155 VanDerWaalsContact SD-CH2 3.5Å; M71-W155 HydrophobicContact SD-CZ2 3.67Å; F74-W155 HydrophobicContact CB-CH2 3.57Å; F74-W155 HydrophobicContact CB-CZ2 4.09Å; F74-W155 HydrophobicContact CB-CZ3 4.28Å; F74-W155 AromaticContact CD1-CH2 3.77Å; F74-W155 HydrophobicContact CD1-CH2 3.77Å; F74-W155 AromaticContact CD1-CZ2 3.4Å; F74-W155 HydrophobicContact CD1-CZ2 3.4Å; F74-W155 VanDerWaalsContact CD1-CZ2 3.4Å; F74-W155 HydrophobicContact CD2-CH2 4.39Å; F74-W155 HydrophobicContact CD2-CZ2 4.2Å; F74-W155 AromaticContact CE1-CZ2 3.81Å; F74-W155 HydrophobicContact CE1-CZ2 3.81Å; F74-W155 AromaticContact CG-CH2 3.64Å; F74-W155 HydrophobicContact CG-CH2 3.64Å; F74-W155 AromaticContact CG-CZ2 3.62Å; F74-W155 HydrophobicContact CG-CZ2 3.62Å; F74-W155 HydrophobicContact CZ-CZ2 4.36Å; G153-W155 PolarHBondContact O-N 3.35Å; W155-H157 PolarHBondContact O-N 3.49Å; W155-F158 HydrophobicContact CB-CB 3.79Å; W155-F158 WeakPolarHBondContact O-CA 3.47Å; W155-F158 WeakPolarHBondContact O-CB 3.34Å; W155-F158 PolarHBondContact O-N 3.3Å; W155-D159 PolarHBondContact O-N 3.19Å
156V94.8Very high95.3Very high1 Ų153 Ų531%0.00628%0.284CS..Hα-helixtrans-52.9-32.5-177-610000114F15 V121 A123 G153 A160 V164F15-V156 HydrophobicContact CB-CG2 4.48Å; F15-V156 HydrophobicContact CD1-CG2 3.48Å; F15-V156 VanDerWaalsContact CD1-CG2 3.48Å; F15-V156 HydrophobicContact CE1-CG2 4.14Å; F15-V156 HydrophobicContact CG-CG2 4.33Å; V121-V156 HydrophobicContact CG1-CG2 4.24Å; A123-V156 HydrophobicContact CB-CG1 3.57Å; G153-V156 PolarHBondContact O-N 2.83Å; V156-A160 CarbonylContact O-C 3.59Å; V156-A160 WeakPolarHBondContact O-CA 3.23Å; V156-A160 PolarHBondContact O-N 3.22Å; V156-V164 HydrophobicContact CB-CG2 4.32Å; V156-V164 HydrophobicContact CG2-CG2 4.2Å; V156-V164 WeakPolarHBondContact O-CG2 3.17Å
157H94.1Very high95.3Very high109 Ų10952.9 Ų52.951%0.50528%0.284SS..Hα-helixtrans-75.8-22.4177.163.3-82.4000113.5W155 P161 V164W155-H157 PolarHBondContact O-N 3.49Å; H157-P161 WeakPolarHBondContact O-CA 3.27Å; H157-P161 WeakPolarHBondContact O-CB 3.37Å; H157-V164 HydrophobicContact CB-CG1 4.13Å; H157-V164 HydrophobicContact CB-CG2 4.49Å
158F93.3Very high95.3Very high130 Ų13055.5 Ų55.557%0.5730%0.297SS*.Hα-helixtrans-83.8-42.7172.4174.9-96.4000110.9T70 W155T70-F158 HydrophobicContact CG2-CE1 4.32Å; W155-F158 HydrophobicContact CB-CB 3.79Å; W155-F158 WeakPolarHBondContact O-CA 3.47Å; W155-F158 WeakPolarHBondContact O-CB 3.34Å; W155-F158 PolarHBondContact O-N 3.3Å
159D94.5Very high95.3Very high71 Ų7155.8 Ų55.838%0.3830%0.304SS..Hα-helixtrans-76.9-36.1-177.3-64.4-33.6000112.7T152 G153 W155T152-D159 HydrophobicContact CG2-CB 3.85Å; G153-D159 WeakPolarHBondContact CA-OD2 3.31Å; G153-D159 PolarHBondContact N-OD2 2.92Å; W155-D159 PolarHBondContact O-N 3.19Å
160A96.2Very high95.3Very high12 Ų1258 Ų5810%0.09932%0.319CS..SBendtrans-131.960-178.600000112.4I149 T152 V156 N162 T163 V164I149-A160 HydrophobicContact CG2-CB 3.79Å; T152-A160 HydrophobicContact CG2-CB 3.65Å; V156-A160 CarbonylContact O-C 3.59Å; V156-A160 WeakPolarHBondContact O-CA 3.23Å; V156-A160 PolarHBondContact O-N 3.22Å; A160-N162 VanDerWaalsContact C-N 3.32Å; A160-N162 PolarHBondContact O-N 2.82Å; A160-T163 PolarHBondContact O-N 3.02Å; A160-V164 WeakPolarHBondContact O-CB 3.38Å; A160-V164 WeakPolarHBondContact O-CG2 3.46Å; A160-V164 PolarHBondContact O-N 3.13Å
161P97Very high95.4Very high64 Ų6456.4 Ų56.442%0.41630%0.304SS..Hα-helixtrans-59.5-38.8-172.622.7-33.8000113.3H157 T165H157-P161 WeakPolarHBondContact O-CA 3.27Å; H157-P161 WeakPolarHBondContact O-CB 3.37Å; P161-T165 VanDerWaalsContact O-CB 3.28Å; P161-T165 WeakPolarHBondContact O-CB 3.18Å; P161-T165 PolarHBondContact O-N 3.22Å; P161-T165 PolarHBondContact O-OG1 2.81Å
162N97.5Very high95.4Very high125 Ų12553.3 Ų53.367%0.66829%0.286SS*.Hα-helixtrans-70.4-47179.8-68-24.5000111.3A160 T165 N166A160-N162 VanDerWaalsContact C-N 3.32Å; A160-N162 PolarHBondContact O-N 2.82Å; N162-T165 PolarHBondContact O-N 2.89Å; N162-N166 WeakPolarHBondContact O-CB 3.46Å; N162-N166 PolarHBondContact O-N 3.26Å; N162-N166 PolarHBondContact O-ND2 3.33Å
163T97.4Very high95.4Very high21 Ų2160 Ų6013%0.12932%0.321CS..Hα-helixtrans-61.6-45.8177.9-52.10000111I149 A160 T165 N166 L167 F182 D184 V185I149-T163 HydrophobicContact CD1-CG2 4.06Å; I149-T163 HydrophobicContact CG1-CG2 4.36Å; I149-T163 HydrophobicContact CG2-CG2 4.05Å; A160-T163 PolarHBondContact O-N 3.02Å; T163-T165 PolarHBondContact O-N 2.92Å; T163-N166 PolarHBondContact O-N 2.88Å; T163-L167 HydrophobicContact CG2-CD1 4.08Å; T163-L167 HydrophobicContact CG2-CG 4.42Å; T163-L167 WeakPolarHBondContact O-CB 3.45Å; T163-L167 WeakPolarHBondContact O-CG 3.27Å; T163-L167 PolarHBondContact O-N 3.48Å; T163-F182 HydrophobicContact CG2-CD1 4.42Å; T163-D184 WeakPolarHBondContact CB-OD2 3.31Å; T163-D184 WeakPolarHBondContact CG2-OD1 3.5Å; T163-D184 WeakPolarHBondContact CG2-OD2 3.34Å; T163-D184 PolarHBondContact OG1-OD2 3.5Å; T163-V185 HydrophobicContact CG2-CG2 3.67Å
164V97.5Very high95.3Very high7 Ų762 Ų624%0.04233%0.327CS..Hα-helixtrans-59.8-48175.5167.60000111.2F15 I149 V156 H157 A160 N166 L167 I168F15-V164 HydrophobicContact CE1-CG1 3.61Å; F15-V164 HydrophobicContact CE1-CG2 4.24Å; F15-V164 HydrophobicContact CZ-CG1 3.59Å; I149-V164 HydrophobicContact CD1-CG2 3.51Å; V156-V164 HydrophobicContact CB-CG2 4.32Å; V156-V164 HydrophobicContact CG2-CG2 4.2Å; V156-V164 WeakPolarHBondContact O-CG2 3.17Å; H157-V164 HydrophobicContact CB-CG1 4.13Å; H157-V164 HydrophobicContact CB-CG2 4.49Å; A160-V164 WeakPolarHBondContact O-CB 3.38Å; A160-V164 WeakPolarHBondContact O-CG2 3.46Å; A160-V164 PolarHBondContact O-N 3.13Å; V164-N166 VanDerWaalsContact C-N 3.35Å; V164-N166 PolarHBondContact O-N 3.45Å; V164-L167 PolarHBondContact O-N 3.1Å; V164-I168 HydrophobicContact CG1-CD1 3.83Å; V164-I168 HydrophobicContact CG1-CG1 4.42Å; V164-I168 VanDerWaalsContact O-CG1 3.27Å; V164-I168 WeakPolarHBondContact O-CG1 3.21Å; V164-I168 PolarHBondContact O-N 2.92Å
165T97.6Very high94.9Very high76 Ų7669.1 Ų69.147%0.46636%0.356SS..Hα-helixtrans-59.9-46179-59.40000111.4P161 N162 T163 I168 T169P161-T165 VanDerWaalsContact O-CB 3.28Å; P161-T165 WeakPolarHBondContact O-CB 3.18Å; P161-T165 PolarHBondContact O-N 3.22Å; P161-T165 PolarHBondContact O-OG1 2.81Å; N162-T165 PolarHBondContact O-N 2.89Å; T163-T165 PolarHBondContact O-N 2.92Å; T165-I168 PolarHBondContact O-N 3.45Å; T165-T169 WeakPolarHBondContact O-CB 3.44Å; T165-T169 PolarHBondContact O-N 2.95Å; T165-T169 PolarHBondContact O-OG1 2.88Å; T165-T169 VanDerWaalsContact O-OG1 3.06Å
166N96.5Very high94.7Very high89 Ų8970.1 Ų70.148%0.47637%0.374SS..Hα-helixtrans-66.8-40.6179.4-69.5-19000111.9N162 T163 V164 T169 S170 F182N162-N166 WeakPolarHBondContact O-CB 3.46Å; N162-N166 PolarHBondContact O-N 3.26Å; N162-N166 PolarHBondContact O-ND2 3.33Å; T163-N166 PolarHBondContact O-N 2.88Å; V164-N166 VanDerWaalsContact C-N 3.35Å; V164-N166 PolarHBondContact O-N 3.45Å; N166-T169 PolarHBondContact O-N 3.44Å; N166-S170 VanDerWaalsContact O-CB 3.31Å; N166-S170 WeakPolarHBondContact O-CB 3.47Å; N166-S170 PolarHBondContact O-N 3.34Å; N166-S170 PolarHBondContact O-OG 3.43Å; N166-S170 VanDerWaalsContact O-OG 3.1Å; N166-F182 HydrophobicContact CB-CE1 3.67Å; N166-F182 HydrophobicContact CB-CZ 4.36Å
167L96.7Very high94.7Very high1 Ų170.6 Ų70.61%0.00538%0.376CS..Hα-helixtrans-59.7-48.5174.6-82.7171000111.4L119 V147 I149 T163 V164 F171 F177 F182 V185L119-L167 HydrophobicContact CD2-CB 4.42Å; V147-L167 HydrophobicContact CG2-CD1 4.45Å; I149-L167 HydrophobicContact CD1-CD1 3.74Å; I149-L167 HydrophobicContact CG1-CD1 4.01Å; T163-L167 HydrophobicContact CG2-CD1 4.08Å; T163-L167 HydrophobicContact CG2-CG 4.42Å; T163-L167 WeakPolarHBondContact O-CB 3.45Å; T163-L167 WeakPolarHBondContact O-CG 3.27Å; T163-L167 PolarHBondContact O-N 3.48Å; V164-L167 PolarHBondContact O-N 3.1Å; L167-F171 WeakPolarHBondContact O-CB 3.47Å; L167-F171 PolarHBondContact O-N 2.9Å; L167-F177 HydrophobicContact CD2-CE2 4.12Å; L167-F177 HydrophobicContact CD2-CZ 3.86Å; L167-F182 HydrophobicContact CB-CE1 4.39Å; L167-F182 HydrophobicContact CB-CZ 4.47Å; L167-F182 HydrophobicContact CD2-CD1 4Å; L167-F182 HydrophobicContact CD2-CD2 3.82Å; L167-F182 HydrophobicContact CD2-CE1 3.87Å; L167-F182 HydrophobicContact CD2-CE2 3.72Å; L167-F182 HydrophobicContact CD2-CG 3.98Å; L167-F182 HydrophobicContact CD2-CZ 3.75Å; L167-F182 HydrophobicContact CG-CD1 4.02Å; L167-F182 HydrophobicContact CG-CE1 3.78Å; L167-F182 HydrophobicContact CG-CG 4.48Å; L167-F182 HydrophobicContact CG-CZ 4.06Å; L167-V185 HydrophobicContact CD1-CG2 3.9Å; L167-V185 HydrophobicContact CD2-CG1 4.38Å; L167-V185 HydrophobicContact CD2-CG2 4.27Å; L167-V185 HydrophobicContact CG-CG2 4.34Å
168I96.9Very high94.6Very high55 Ų5568.9 Ų68.928%0.28237%0.371SS..Hα-helixtrans-59.9-52.2177.1-63.9164.1000109.5V13 F15 V164 T165 S170 F171 M172V13-I168 HydrophobicContact CG1-CG1 4.41Å; F15-I168 HydrophobicContact CE2-CD1 4.23Å; F15-I168 HydrophobicContact CZ-CD1 3.75Å; F15-I168 HydrophobicContact CZ-CG1 3.95Å; V164-I168 HydrophobicContact CG1-CD1 3.83Å; V164-I168 HydrophobicContact CG1-CG1 4.42Å; V164-I168 VanDerWaalsContact O-CG1 3.27Å; V164-I168 WeakPolarHBondContact O-CG1 3.21Å; V164-I168 PolarHBondContact O-N 2.92Å; T165-I168 PolarHBondContact O-N 3.45Å; I168-S170 PolarHBondContact O-N 3.35Å; I168-F171 PolarHBondContact O-N 2.99Å; I168-M172 HydrophobicContact CG2-CE 4.41Å; I168-M172 HydrophobicContact CG2-CG 4.02Å; I168-M172 WeakPolarHBondContact O-CB 3.49Å; I168-M172 WeakPolarHBondContact O-CG 3.32Å; I168-M172 PolarHBondContact O-N 3.27Å
169T96.5Very high94.5Very high67 Ų6762.8 Ų62.841%0.41134%0.344SS..Hα-helixtrans-59.4-49.5-176.9-65.30000111.5T165 N166 F171 M172 L173T165-T169 WeakPolarHBondContact O-CB 3.44Å; T165-T169 PolarHBondContact O-N 2.95Å; T165-T169 PolarHBondContact O-OG1 2.88Å; T165-T169 VanDerWaalsContact O-OG1 3.06Å; N166-T169 PolarHBondContact O-N 3.44Å; T169-F171 PolarHBondContact O-N 2.87Å; T169-M172 PolarHBondContact O-N 3.42Å; T169-L173 HydrophobicContact CG2-CD1 3.61Å; T169-L173 HydrophobicContact CG2-CG 4.31Å; T169-L173 WeakPolarHBondContact O-CB 3.33Å; T169-L173 VanDerWaalsContact O-CG 3.31Å; T169-L173 WeakPolarHBondContact O-CG 3.47Å; T169-L173 PolarHBondContact O-N 2.72Å
170S96.2Very high94.3Very high46 Ų4663.9 Ų63.932%0.32235%0.353SS..Hα-helixtrans-61.6-44.1177.2-65.40000111.6N166 I168 M172 D174N166-S170 VanDerWaalsContact O-CB 3.31Å; N166-S170 WeakPolarHBondContact O-CB 3.47Å; N166-S170 PolarHBondContact O-N 3.34Å; N166-S170 PolarHBondContact O-OG 3.43Å; N166-S170 VanDerWaalsContact O-OG 3.1Å; I168-S170 PolarHBondContact O-N 3.35Å; S170-M172 PolarHBondContact O-N 2.94Å; S170-D174 WeakPolarHBondContact O-CB 3.39Å; S170-D174 PolarHBondContact O-N 3.22Å
171F97.1Very high94Very high9 Ų967.5 Ų67.54%0.03938%0.378CS..Hα-helixtrans-64.7-38.2178.4175.2-107.9000112.8K11 L12 V13 P117 L119 L167 I168 T169 F177K11-F171 HydrophobicContact CB-CE1 3.89Å; K11-F171 HydrophobicContact CB-CZ 4.21Å; K11-F171 HydrophobicContact CD-CE1 4.21Å; K11-F171 HydrophobicContact CD-CZ 4.35Å; K11-F171 WeakPolarHBondContact CD-O 3.37Å; K11-F171 HydrophobicContact CG-CE1 4.42Å; K11-F171 HydrophobicContact CG-CZ 4.42Å; K11-F171 PolarHBondContact NZ-O 2.86Å; L12-F171 WeakPolarHBondContact O-CE1 3.47Å; V13-F171 HydrophobicContact CG2-CD1 3.53Å; V13-F171 HydrophobicContact CG2-CE1 3.78Å; P117-F171 HydrophobicContact CB-CE2 4.02Å; P117-F171 HydrophobicContact CB-CZ 3.92Å; L119-F171 HydrophobicContact CB-CD1 3.99Å; L119-F171 HydrophobicContact CB-CD2 3.93Å; L119-F171 HydrophobicContact CB-CE1 4Å; L119-F171 HydrophobicContact CB-CE2 3.94Å; L119-F171 HydrophobicContact CB-CG 3.94Å; L119-F171 HydrophobicContact CB-CZ 3.97Å; L119-F171 HydrophobicContact CD2-CB 3.92Å; L119-F171 HydrophobicContact CD2-CD2 4.44Å; L119-F171 HydrophobicContact CD2-CG 4.04Å; L167-F171 WeakPolarHBondContact O-CB 3.47Å; L167-F171 PolarHBondContact O-N 2.9Å; I168-F171 PolarHBondContact O-N 2.99Å; T169-F171 PolarHBondContact O-N 2.87Å; F171-F177 VanDerWaalsContact CA-CD2 3.47Å; F171-F177 HydrophobicContact CB-CD1 4.43Å; F171-F177 HydrophobicContact CB-CD2 3.82Å; F171-F177 HydrophobicContact CB-CE2 3.95Å; F171-F177 HydrophobicContact CB-CG 4.06Å; F171-F177 HydrophobicContact CB-CZ 4.33Å; F171-F177 HydrophobicContact CD2-CB 4.26Å; F171-F177 AromaticContact CD2-CD1 3.71Å; F171-F177 HydrophobicContact CD2-CD1 3.71Å; F171-F177 HydrophobicContact CD2-CD2 4.5Å; F171-F177 HydrophobicContact CD2-CE1 4.18Å; F171-F177 AromaticContact CD2-CG 3.89Å; F171-F177 HydrophobicContact CD2-CG 3.89Å; F171-F177 HydrophobicContact CG-CG 4.49Å
172M96.2Very high93.9Very high83 Ų8365.6 Ų65.641%0.40936%0.363SS..Hα-helixtrans-73.4-45.2-179.7-69.1-57.6-178.100111.7K11 V13 I168 T169 S170K11-M172 HydrophobicContact CB-SD 4.05Å; K11-M172 HydrophobicContact CD-SD 4.23Å; K11-M172 PolarHBondContact NZ-O 2.95Å; V13-M172 HydrophobicContact CG2-CE 3.64Å; I168-M172 HydrophobicContact CG2-CE 4.41Å; I168-M172 HydrophobicContact CG2-CG 4.02Å; I168-M172 WeakPolarHBondContact O-CB 3.49Å; I168-M172 WeakPolarHBondContact O-CG 3.32Å; I168-M172 PolarHBondContact O-N 3.27Å; T169-M172 PolarHBondContact O-N 3.42Å; S170-M172 PolarHBondContact O-N 2.94Å
173L94.8Very high93.8Very high142 Ų14266.9 Ų66.974%0.74338%0.376SS*.Hα-helixtrans-83.1-34.5-173.2-62.3-179.7000113.5T169T169-L173 HydrophobicContact CG2-CD1 3.61Å; T169-L173 HydrophobicContact CG2-CG 4.31Å; T169-L173 WeakPolarHBondContact O-CB 3.33Å; T169-L173 VanDerWaalsContact O-CG 3.31Å; T169-L173 WeakPolarHBondContact O-CG 3.47Å; T169-L173 PolarHBondContact O-N 2.72Å
174D88.9Confident93.7Very high64 Ų6468.3 Ų68.334%0.34238%0.382SS..  trans-92.4135.2-176.4-166.75.5000111.9K11 S170 S176 F177K11-D174 PolarHBondContact NZ-O 2.99Å; S170-D174 WeakPolarHBondContact O-CB 3.39Å; S170-D174 PolarHBondContact O-N 3.22Å; D174-S176 PolarHBondContact OD1-N 3.28Å; D174-S176 PolarHBondContact OD1-OG 3.36Å; D174-S176 VanDerWaalsContact OD2-C 3.24Å; D174-S176 PolarHBondContact OD2-OG 3.41Å; D174-S176 VanDerWaalsContact OD2-OG 3.07Å; D174-F177 PolarHBondContact OD2-N 3.22Å
175K81.7Confident93.6Very high211 Ų21168.5 Ų68.592%0.91738%0.384SS*.SBendtrans-81-23.5169.3-68.1-174179.6-178.60111.6
176S88.3Confident93.6Very high89 Ų8969.4 Ų69.462%0.62239%0.389SS*.SBendtrans-101.827.7177.449.10000113.6D174 D178D174-S176 PolarHBondContact OD1-N 3.28Å; D174-S176 PolarHBondContact OD1-OG 3.36Å; D174-S176 VanDerWaalsContact OD2-C 3.24Å; D174-S176 PolarHBondContact OD2-OG 3.41Å; D174-S176 VanDerWaalsContact OD2-OG 3.07Å; S176-D178 PolarHBondContact O-N 3.08Å; S176-D178 VanDerWaalsContact O-N 3.1Å
177F93.1Very high93.5Very high12 Ų1267.6 Ų67.65%0.05338%0.378CS..  trans-44.9119.4-178.5170.2-101000112.4L119 K145 L167 F171 D174 P179 F182L119-F177 HydrophobicContact CD1-CE1 3.82Å; L119-F177 HydrophobicContact CD1-CZ 4.12Å; L119-F177 HydrophobicContact CD2-CE1 4.21Å; L119-F177 HydrophobicContact CD2-CZ 3.88Å; K145-F177 HydrophobicContact CD-CD1 4.09Å; K145-F177 HydrophobicContact CD-CE1 4.24Å; K145-F177 PolarHBondContact NZ-O 3.09Å; L167-F177 HydrophobicContact CD2-CE2 4.12Å; L167-F177 HydrophobicContact CD2-CZ 3.86Å; F171-F177 VanDerWaalsContact CA-CD2 3.47Å; F171-F177 HydrophobicContact CB-CD1 4.43Å; F171-F177 HydrophobicContact CB-CD2 3.82Å; F171-F177 HydrophobicContact CB-CE2 3.95Å; F171-F177 HydrophobicContact CB-CG 4.06Å; F171-F177 HydrophobicContact CB-CZ 4.33Å; F171-F177 HydrophobicContact CD2-CB 4.26Å; F171-F177 AromaticContact CD2-CD1 3.71Å; F171-F177 HydrophobicContact CD2-CD1 3.71Å; F171-F177 HydrophobicContact CD2-CD2 4.5Å; F171-F177 HydrophobicContact CD2-CE1 4.18Å; F171-F177 AromaticContact CD2-CG 3.89Å; F171-F177 HydrophobicContact CD2-CG 3.89Å; F171-F177 HydrophobicContact CG-CG 4.49Å; D174-F177 PolarHBondContact OD2-N 3.22Å; F177-P179 HydrophobicContact CE1-CB 4.07Å; F177-P179 HydrophobicContact CE1-CG 4.34Å; F177-P179 HydrophobicContact CZ-CB 4.02Å; F177-F182 HydrophobicContact CE2-CE2 4.08Å
178D93.1Very high93.3Very high73 Ų7368.6 Ų68.639%0.3938%0.383SS..  trans-120.8110.6177.8-176.3-0.8000110.3S176 T180 S181S176-D178 PolarHBondContact O-N 3.08Å; S176-D178 VanDerWaalsContact O-N 3.1Å; D178-T180 PolarHBondContact O-N 3.16Å; D178-T180 WeakPolarHBondContact OD1-CB 3.34Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.42Å; D178-T180 PolarHBondContact OD1-N 3.25Å; D178-T180 PolarHBondContact OD1-OG1 2.83Å; D178-T180 PolarHBondContact OD2-OG1 3.2Å; D178-S181 PolarHBondContact O-N 3.46Å; D178-S181 PolarHBondContact O-OG 2.91Å
179P91.6Very high92.9Very high1 Ų173.2 Ų73.21%0.00640%0.401CS..G310 helixtrans-67.4-16.5-179.629.7-35.6000113.4K145 V147 F177 S181 F182 V185 E187K145-P179 HydrophobicContact CD-CG 4.42Å; V147-P179 HydrophobicContact CG1-CB 3.51Å; V147-P179 HydrophobicContact CG1-CG 3.96Å; F177-P179 HydrophobicContact CE1-CB 4.07Å; F177-P179 HydrophobicContact CE1-CG 4.34Å; F177-P179 HydrophobicContact CZ-CB 4.02Å; P179-S181 PolarHBondContact O-N 3.45Å; P179-F182 PolarHBondContact O-N 3.46Å; P179-V185 HydrophobicContact CB-CG1 4.44Å; P179-E187 HydrophobicContact CG-CB 4.3Å; P179-E187 HydrophobicContact CG-CG 4.42Å
180T89Confident92.7Very high94 Ų9473.6 Ų73.658%0.57740%0.401SS*.G310 helixtrans-71.7-11.1178.770.60000113.5D178 F182D178-T180 PolarHBondContact O-N 3.16Å; D178-T180 WeakPolarHBondContact OD1-CB 3.34Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.42Å; D178-T180 PolarHBondContact OD1-N 3.25Å; D178-T180 PolarHBondContact OD1-OG1 2.83Å; D178-T180 PolarHBondContact OD2-OG1 3.2Å; T180-F182 PolarHBondContact O-N 3.14Å
181S90.4Very high92.5Very high88 Ų8875 Ų7562%0.61541%0.405SS*.G310 helixtrans-70.6-8.5172.4620000114.1D178 P179D178-S181 PolarHBondContact O-N 3.46Å; D178-S181 PolarHBondContact O-OG 2.91Å; P179-S181 PolarHBondContact O-N 3.45Å
182F95.2Very high92.3Very high25 Ų2578.7 Ų78.711%0.1143%0.425CS..  trans-105.9122.9-179.3-65.9-105.3000110.2T163 N166 L167 F177 P179 T180 D184 V185T163-F182 HydrophobicContact CG2-CD1 4.42Å; N166-F182 HydrophobicContact CB-CE1 3.67Å; N166-F182 HydrophobicContact CB-CZ 4.36Å; L167-F182 HydrophobicContact CB-CE1 4.39Å; L167-F182 HydrophobicContact CB-CZ 4.47Å; L167-F182 HydrophobicContact CD2-CD1 4Å; L167-F182 HydrophobicContact CD2-CD2 3.82Å; L167-F182 HydrophobicContact CD2-CE1 3.87Å; L167-F182 HydrophobicContact CD2-CE2 3.72Å; L167-F182 HydrophobicContact CD2-CG 3.98Å; L167-F182 HydrophobicContact CD2-CZ 3.75Å; L167-F182 HydrophobicContact CG-CD1 4.02Å; L167-F182 HydrophobicContact CG-CE1 3.78Å; L167-F182 HydrophobicContact CG-CG 4.48Å; L167-F182 HydrophobicContact CG-CZ 4.06Å; F177-F182 HydrophobicContact CE2-CE2 4.08Å; P179-F182 PolarHBondContact O-N 3.46Å; T180-F182 PolarHBondContact O-N 3.14Å; F182-D184 VanDerWaalsContact C-N 3.31Å; F182-D184 PolarHBondContact O-N 2.9Å; F182-V185 HydrophobicContact CB-CB 3.64Å; F182-V185 HydrophobicContact CB-CG2 3.46Å; F182-V185 VanDerWaalsContact CB-CG2 3.46Å; F182-V185 HydrophobicContact CD1-CG2 4.34Å; F182-V185 HydrophobicContact CG-CG2 4.08Å; F182-V185 PolarHBondContact O-N 3.47Å
183T94.2Very high92Very high152 Ų15278.4 Ų78.493%0.93343%0.426SS*.THydrogen-bonded Turntrans-71.2-24.1-172.951.20000114.4
184D95.6Very high91.8Very high50 Ų5074.4 Ų74.427%0.26741%0.406SS..THydrogen-bonded Turntrans-104.312.1-178.362.1-32.7000112.8A150 T163 F182A150-D184 PolarHBondContact N-O 2.94Å; T163-D184 WeakPolarHBondContact CB-OD2 3.31Å; T163-D184 WeakPolarHBondContact CG2-OD1 3.5Å; T163-D184 WeakPolarHBondContact CG2-OD2 3.34Å; T163-D184 PolarHBondContact OG1-OD2 3.5Å; F182-D184 VanDerWaalsContact C-N 3.31Å; F182-D184 PolarHBondContact O-N 2.9Å
185V97Very high92Very high11 Ų1175.1 Ų75.17%0.06741%0.41CS..EExtended strand (participates in β ladder)trans-121.3134.3-177.6-178.30000110V147 Q148 I149 T163 L167 P179 F182V147-V185 HydrophobicContact CB-CG1 3.6Å; V147-V185 HydrophobicContact CG1-CG1 4.15Å; V147-V185 HydrophobicContact CG2-CG1 3.93Å; Q148-V185 WeakPolarHBondContact O-CA 3.34Å; I149-V185 HydrophobicContact CG1-CG2 4.34Å; T163-V185 HydrophobicContact CG2-CG2 3.67Å; L167-V185 HydrophobicContact CD1-CG2 3.9Å; L167-V185 HydrophobicContact CD2-CG1 4.38Å; L167-V185 HydrophobicContact CD2-CG2 4.27Å; L167-V185 HydrophobicContact CG-CG2 4.34Å; P179-V185 HydrophobicContact CB-CG1 4.44Å; F182-V185 HydrophobicContact CB-CB 3.64Å; F182-V185 HydrophobicContact CB-CG2 3.46Å; F182-V185 VanDerWaalsContact CB-CG2 3.46Å; F182-V185 HydrophobicContact CD1-CG2 4.34Å; F182-V185 HydrophobicContact CG-CG2 4.08Å; F182-V185 PolarHBondContact O-N 3.47Å
186T96Very high92.8Very high95 Ų9565.4 Ų65.458%0.58337%0.374SS*.EExtended strand (participates in β ladder)trans-121.9132.8174.5-60.50000110.2V147 Q148V147-T186 CarbonylContact C-O 3.6Å; V147-T186 VanDerWaalsContact CA-O 3.31Å; V147-T186 WeakPolarHBondContact CA-O 3.49Å; Q148-T186 PolarHBondContact N-O 3.36Å; Q148-T186 PolarHBondContact O-N 3.01Å
187E95.3Very high93.1Very high52 Ų5263.6 Ų63.624%0.24336%0.355CS..EExtended strand (participates in β ladder)trans-77.9125.9173-168.3177.8-173.100110.6P179 K189P179-E187 HydrophobicContact CG-CB 4.3Å; P179-E187 HydrophobicContact CG-CG 4.42Å; E187-K189 HydrophobicContact CG-CG 4.13Å; E187-K189 WeakPolarHBondContact OE2-CE 3.38Å; E187-K189 IonicContact OE2-NZ 2.95Å; E187-K189 PolarHBondContact OE2-NZ 2.96Å
188I92.4Very high93.1Very high22 Ų2267.9 Ų67.911%0.11338%0.38CS..  trans-85.8111.6175.6-52.6172.1000107.9A122 Q131 L134 I146 Q148A122-I188 HydrophobicContact CB-CD1 4.15Å; Q131-I188 HydrophobicContact CB-CG2 4.04Å; Q131-I188 HydrophobicContact CG-CG2 4.34Å; L134-I188 HydrophobicContact CD1-CG2 4.19Å; L134-I188 HydrophobicContact CD2-CB 4.37Å; L134-I188 HydrophobicContact CD2-CG2 3.96Å; L134-I188 HydrophobicContact CG-CG2 4.48Å; I146-I188 HydrophobicContact CG2-CB 4.27Å; I146-I188 HydrophobicContact CG2-CD1 4.1Å; I146-I188 PolarHBondContact O-N 3.32Å; Q148-I188 HydrophobicContact CB-CD1 3.98Å; Q148-I188 HydrophobicContact CB-CG1 4.15Å
189K87.9Confident93.1Very high152 Ų15267.5 Ų67.566%0.66138%0.379SS*.  trans-104.80-175.2-69.4-175.3178.21730114.4Q131 L134 R138 E187Q131-K189 PolarHBondContact NE2-O 3.41Å; L134-K189 WeakPolarHBondContact CD1-OXT 3.37Å; R138-K189 PolarHBondContact NH2-OXT 3.14Å; E187-K189 HydrophobicContact CG-CG 4.13Å; E187-K189 WeakPolarHBondContact OE2-CE 3.38Å; E187-K189 IonicContact OE2-NZ 2.95Å; E187-K189 PolarHBondContact OE2-NZ 2.96Å

Retrieved 189 of 189 residues in 248.7 ms (Link to these results)

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