A0A087XNA5_POEFO Loading...

Small ribosomal subunit protein uS2

Required for the assembly and/or stability of the 40S ribosomal subunit. Required for the processing of the 20S rRNA-precursor to mature 18S rRNA in a late step of the maturation of 40S ribosomal subunits. Also functions as a cell surface receptor for laminin. Plays a role in cell adhesion to the basement membrane and in the consequent activation of signaling transduction pathways. May play a role in cell fate determination and tissue morphogenesis.

AlphaFold DB , UniProt , Accession A0A087XNA5, Species POEFO (Poecilia formosa, Amazon molly), Gene RPSA, Length 325 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
1M49.6Very low75.9Confident166 Ų16680.5 Ų80.582%0.81847%0.465SS*.  0138.50-47.5-52.4-8500107.2G3 E56M1-G3 PolarHBondContact O-N 3.3Å; M1-E56 VanDerWaalsContact SD-OE2 3.33Å
2S56Low77.3Confident21 Ų2186.8 Ų86.815%0.14749%0.487CS..  trans-5920.4-173.549.70000116.5G4 R63S2-G4 PolarHBondContact O-N 3.34Å; S2-R63 PolarHBondContact O-NH2 3.48Å
3G59.8Low78.4Confident46 Ų4689.9 Ų89.947%0.47450%0.496SS..THydrogen-bonded Turntrans75.7-2.6-177.200000113.8M1 L5M1-G3 PolarHBondContact O-N 3.3Å; G3-L5 PolarHBondContact O-N 2.93Å
4G71.3Confident79.5Confident64 Ų6483.7 Ų83.766%0.6646%0.462SS*.THydrogen-bonded Turntrans64.413.8-172.900000113.2S2S2-G4 PolarHBondContact O-N 3.34Å
5L82.3Confident80.5Confident100 Ų10081.1 Ų81.152%0.52445%0.449SS..  trans-86.2123-179.1-64.1173.4000109.2G3 V7 L8 Q9G3-L5 PolarHBondContact O-N 2.93Å; L5-V7 PolarHBondContact O-N 3.12Å; L5-L8 HydrophobicContact CB-CB 4.36Å; L5-L8 HydrophobicContact CB-CD1 4.31Å; L5-L8 HydrophobicContact CB-CG 4.12Å; L5-L8 HydrophobicContact CD1-CD1 3.9Å; L5-L8 HydrophobicContact CD1-CG 4.36Å; L5-L8 PolarHBondContact O-N 3.24Å; L5-Q9 PolarHBondContact O-N 3.12Å
6D80.1Confident81.5Confident123 Ų12382.7 Ų82.766%0.65846%0.456SS*.G310 helixtrans-58.1-34.4-179.9-67.4-16.4000112.3L8 Q9D6-L8 PolarHBondContact O-N 3.32Å; D6-Q9 WeakPolarHBondContact O-CB 3.2Å; D6-Q9 PolarHBondContact O-N 2.95Å; D6-Q9 VanDerWaalsContact O-N 3.12Å; D6-Q9 PolarHBondContact OD1-NE2 3.17Å
7V83.7Confident82.3Confident101 Ų10181.4 Ų81.461%0.61244%0.444SS*.G310 helixtrans-66-22.9178.2-176.40000113.3L5 R191L5-V7 PolarHBondContact O-N 3.12Å; V7-R191 PolarHBondContact O-NH1 3.06Å; V7-R191 VanDerWaalsContact O-NH1 3.16Å
8L85.2Confident83Confident19 Ų1976.9 Ų76.910%0.09942%0.42CS..G310 helixtrans-100.63.9178.4-58.5-173.7000112.6L5 D6 W55 L59 R63 R191L5-L8 HydrophobicContact CB-CB 4.36Å; L5-L8 HydrophobicContact CB-CD1 4.31Å; L5-L8 HydrophobicContact CB-CG 4.12Å; L5-L8 HydrophobicContact CD1-CD1 3.9Å; L5-L8 HydrophobicContact CD1-CG 4.36Å; L5-L8 PolarHBondContact O-N 3.24Å; D6-L8 PolarHBondContact O-N 3.32Å; L8-W55 PolarHBondContact O-NE1 3.34Å; L8-L59 HydrophobicContact CB-CD1 4.19Å; L8-L59 WeakPolarHBondContact O-CD1 3.38Å; L8-R63 VanDerWaalsContact CD1-NH2 3.25Å; L8-R191 VanDerWaalsContact CD2-NH1 3.28Å
9Q88.3Confident83.7Confident104 Ų10477.1 Ų77.149%0.48642%0.42SS..SBendtrans-65.5155.5176.9-70.5-173.714.700111.4L5 D6 K11L5-Q9 PolarHBondContact O-N 3.12Å; D6-Q9 WeakPolarHBondContact O-CB 3.2Å; D6-Q9 PolarHBondContact O-N 2.95Å; D6-Q9 VanDerWaalsContact O-N 3.12Å; D6-Q9 PolarHBondContact OD1-NE2 3.17Å; Q9-K11 PolarHBondContact O-N 3.12Å
10M88.3Confident84.2Confident50 Ų5077.8 Ų77.825%0.24644%0.436CS..PPolyproline II helixtrans-67.5121.9178.5-166.8-179-174.600109.1V15 F18 L51 W55M10-V15 HydrophobicContact CE-CB 4.15Å; M10-V15 HydrophobicContact CE-CG2 3.44Å; M10-V15 VanDerWaalsContact CE-CG2 3.44Å; M10-V15 HydrophobicContact CG-CG2 3.86Å; M10-V15 HydrophobicContact SD-CG2 3.71Å; M10-F18 HydrophobicContact CE-CD2 3.29Å; M10-F18 HydrophobicContact CE-CE2 3.53Å; M10-F18 HydrophobicContact CE-CG 4.44Å; M10-L51 HydrophobicContact CE-CB 4.05Å; M10-W55 HydrophobicContact CB-CD2 4.29Å; M10-W55 HydrophobicContact CB-CG 3.98Å; M10-W55 HydrophobicContact CG-CB 4.38Å; M10-W55 HydrophobicContact CG-CD2 4.14Å; M10-W55 HydrophobicContact CG-CG 4.04Å; M10-W55 HydrophobicContact SD-CB 4.18Å; M10-W55 HydrophobicContact SD-CG 4.47Å
11K90.9Very high84.7Confident91 Ų9174.9 Ų74.940%0.39642%0.422SS..PPolyproline II helixtrans-83.5152.4177.9-65-173.3177.9-172.70111.1Q9 E13 D14 V15 R191Q9-K11 PolarHBondContact O-N 3.12Å; K11-E13 VanDerWaalsContact C-N 3.33Å; K11-E13 PolarHBondContact O-N 3.37Å; K11-D14 WeakPolarHBondContact O-CB 3.23Å; K11-D14 PolarHBondContact O-N 3.5Å; K11-D14 VanDerWaalsContact O-N 3.08Å; K11-V15 WeakPolarHBondContact O-CG2 3.42Å; K11-V15 PolarHBondContact O-N 2.84Å; K11-V15 VanDerWaalsContact O-N 3.14Å; K11-R191 PolarHBondContact NZ-O 2.84Å
12E92.3Very high86.9Confident156 Ų15667.5 Ų67.573%0.72939%0.389SS*.Hα-helixtrans-58.5-42.6179.3-172.4173.4-17600112.5D14 V15 L16E12-D14 PolarHBondContact O-N 3.17Å; E12-V15 WeakPolarHBondContact O-CB 3.39Å; E12-V15 PolarHBondContact O-N 2.93Å; E12-V15 VanDerWaalsContact O-N 3.12Å; E12-L16 WeakPolarHBondContact O-CG 3.41Å; E12-L16 PolarHBondContact O-N 3.41Å
13E92.3Very high88.8Confident128 Ų12866.6 Ų66.660%0.59838%0.383SS*.Hα-helixtrans-57.2-36.1175.7-62.8174.5-164.200113.1K11 K17K11-E13 VanDerWaalsContact C-N 3.33Å; K11-E13 PolarHBondContact O-N 3.37Å; E13-K17 WeakPolarHBondContact O-CG 3.15Å; E13-K17 PolarHBondContact O-N 3.17Å
14D93.3Very high90.5Very high3 Ų366.5 Ų66.52%0.01637%0.37CS..Hα-helixtrans-75.6-36.8-179.8-71.2-24.9000110.7K11 E12 L16 K17 F18 M177 R180K11-D14 WeakPolarHBondContact O-CB 3.23Å; K11-D14 PolarHBondContact O-N 3.5Å; K11-D14 VanDerWaalsContact O-N 3.08Å; E12-D14 PolarHBondContact O-N 3.17Å; D14-L16 VanDerWaalsContact C-N 3.35Å; D14-K17 PolarHBondContact O-N 2.84Å; D14-K17 IonicContact OD1-NZ 3.61Å; D14-F18 WeakPolarHBondContact O-CD2 3.3Å; D14-F18 PolarHBondContact O-N 3.14Å; D14-F18 VanDerWaalsContact O-N 3.07Å; D14-M177 HydrophobicContact CB-CE 3.51Å; D14-M177 WeakPolarHBondContact OD1-CE 3.37Å; D14-R180 VanDerWaalsContact CG-NH2 3.34Å; D14-R180 IonicContact OD1-CZ 3.5Å; D14-R180 IonicContact OD1-NH1 2.77Å; D14-R180 PolarHBondContact OD1-NH1 3.2Å; D14-R180 IonicContact OD1-NH2 3.34Å; D14-R180 PolarHBondContact OD1-NH2 3.37Å; D14-R180 IonicContact OD2-CZ 3.63Å; D14-R180 IonicContact OD2-NH1 3.62Å; D14-R180 IonicContact OD2-NH2 2.76Å; D14-R180 PolarHBondContact OD2-NH2 2.9Å
15V94.4Very high91.6Very high45 Ų4566.4 Ų66.427%0.27335%0.354SS..Hα-helixtrans-59.2-46.2171.7-179.10000110.6M10 K11 E12 K17 F18 L19M10-V15 HydrophobicContact CE-CB 4.15Å; M10-V15 HydrophobicContact CE-CG2 3.44Å; M10-V15 VanDerWaalsContact CE-CG2 3.44Å; M10-V15 HydrophobicContact CG-CG2 3.86Å; M10-V15 HydrophobicContact SD-CG2 3.71Å; K11-V15 WeakPolarHBondContact O-CG2 3.42Å; K11-V15 PolarHBondContact O-N 2.84Å; K11-V15 VanDerWaalsContact O-N 3.14Å; E12-V15 WeakPolarHBondContact O-CB 3.39Å; E12-V15 PolarHBondContact O-N 2.93Å; E12-V15 VanDerWaalsContact O-N 3.12Å; V15-K17 VanDerWaalsContact C-N 3.31Å; V15-K17 PolarHBondContact O-N 2.89Å; V15-F18 WeakPolarHBondContact O-CB 3.3Å; V15-F18 PolarHBondContact O-N 3.39Å; V15-F18 VanDerWaalsContact O-N 3.15Å; V15-L19 HydrophobicContact CG1-CD1 3.99Å; V15-L19 HydrophobicContact CG1-CG 4.3Å; V15-L19 WeakPolarHBondContact O-CG 3.34Å; V15-L19 PolarHBondContact O-N 2.96Å
16L95.9Very high92.2Very high106 Ų10662.1 Ų62.156%0.55533%0.334SS*.Hα-helixtrans-59.6-42.5179.5-69.6173.7000111.7E12 D14 F18 L19 A20E12-L16 WeakPolarHBondContact O-CG 3.41Å; E12-L16 PolarHBondContact O-N 3.41Å; D14-L16 VanDerWaalsContact C-N 3.35Å; L16-F18 PolarHBondContact O-N 3.39Å; L16-L19 PolarHBondContact O-N 3.43Å; L16-A20 WeakPolarHBondContact O-CB 3.47Å; L16-A20 PolarHBondContact O-N 3.12Å
17K95.2Very high92.8Very high61 Ų6156.6 Ų56.627%0.26531%0.306SS..Hα-helixtrans-62.4-42.5175.7-66.6166.6-169155.80111.6E13 D14 V15 L19 A20 A21 L173 W176E13-K17 WeakPolarHBondContact O-CG 3.15Å; E13-K17 PolarHBondContact O-N 3.17Å; D14-K17 PolarHBondContact O-N 2.84Å; D14-K17 IonicContact OD1-NZ 3.61Å; V15-K17 VanDerWaalsContact C-N 3.31Å; V15-K17 PolarHBondContact O-N 2.89Å; K17-L19 PolarHBondContact O-N 2.83Å; K17-A20 PolarHBondContact O-N 3.24Å; K17-A21 WeakPolarHBondContact O-CB 3.43Å; K17-A21 PolarHBondContact O-N 2.99Å; K17-L173 HydrophobicContact CB-CD1 3.8Å; K17-L173 WeakPolarHBondContact O-CD1 3.45Å; K17-W176 HydrophobicContact CD-CZ3 4.4Å
18F95.4Very high93.3Very high0 Ų057.6 Ų57.60%031%0.306CS..Hα-helixtrans-62.3-40.8176-74.8-52.3000113M10 D14 V15 L16 G22 T23 L51 W55 L173 M174 M177M10-F18 HydrophobicContact CE-CD2 3.29Å; M10-F18 HydrophobicContact CE-CE2 3.53Å; M10-F18 HydrophobicContact CE-CG 4.44Å; D14-F18 WeakPolarHBondContact O-CD2 3.3Å; D14-F18 PolarHBondContact O-N 3.14Å; D14-F18 VanDerWaalsContact O-N 3.07Å; V15-F18 WeakPolarHBondContact O-CB 3.3Å; V15-F18 PolarHBondContact O-N 3.39Å; V15-F18 VanDerWaalsContact O-N 3.15Å; L16-F18 PolarHBondContact O-N 3.39Å; F18-G22 PolarHBondContact O-N 3.12Å; F18-T23 WeakPolarHBondContact CA-OG1 3.47Å; F18-T23 VanDerWaalsContact CB-OG1 3.26Å; F18-T23 WeakPolarHBondContact CB-OG1 3.32Å; F18-T23 HydrophobicContact CD1-CG2 3.77Å; F18-T23 VanDerWaalsContact CD1-OG1 3.32Å; F18-T23 WeakPolarHBondContact CD1-OG1 3.48Å; F18-T23 PolarHBondContact O-N 3.14Å; F18-T23 PolarHBondContact O-OG1 3.26Å; F18-T23 VanDerWaalsContact O-OG1 3.08Å; F18-L51 HydrophobicContact CB-CD1 4.12Å; F18-L51 HydrophobicContact CB-CD2 3.99Å; F18-L51 HydrophobicContact CG-CD2 4.26Å; F18-W55 HydrophobicContact CE2-CE3 4.02Å; F18-W55 HydrophobicContact CE2-CZ3 4.45Å; F18-W55 HydrophobicContact CZ-CE3 4.16Å; F18-L173 HydrophobicContact CD1-CD2 3.53Å; F18-L173 HydrophobicContact CE1-CD2 3.39Å; F18-L173 HydrophobicContact CZ-CD2 4.32Å; F18-M174 HydrophobicContact CD1-SD 4.33Å; F18-M174 HydrophobicContact CE1-SD 3.64Å; F18-M177 HydrophobicContact CD2-CE 4.37Å; F18-M177 HydrophobicContact CE1-CE 4.21Å; F18-M177 HydrophobicContact CE1-CG 4.37Å; F18-M177 HydrophobicContact CE2-CE 3.69Å; F18-M177 HydrophobicContact CZ-CE 3.61Å; F18-M177 HydrophobicContact CZ-CG 4.23Å
19L95.3Very high93.7Very high81 Ų8162.2 Ų62.242%0.42433%0.33SS..Hα-helixtrans-67.8-45.7177.2-66.8175.7000111.2V15 L16 K17 A21 G22 L51V15-L19 HydrophobicContact CG1-CD1 3.99Å; V15-L19 HydrophobicContact CG1-CG 4.3Å; V15-L19 WeakPolarHBondContact O-CG 3.34Å; V15-L19 PolarHBondContact O-N 2.96Å; L16-L19 PolarHBondContact O-N 3.43Å; K17-L19 PolarHBondContact O-N 2.83Å; L19-A21 PolarHBondContact O-N 3.38Å; L19-G22 PolarHBondContact O-N 2.87Å; L19-G22 VanDerWaalsContact O-N 3.14Å; L19-L51 HydrophobicContact CD2-CD1 4.04Å; L19-L51 HydrophobicContact CG-CD1 4.47Å
20A95.4Very high94Very high90 Ų9059.8 Ų59.874%0.74432%0.32SS*.Hα-helixtrans-61.6-41.917900000112.6L16 K17 G22L16-A20 WeakPolarHBondContact O-CB 3.47Å; L16-A20 PolarHBondContact O-N 3.12Å; K17-A20 PolarHBondContact O-N 3.24Å; A20-G22 PolarHBondContact O-N 3.21Å
21A94.6Very high94.4Very high17 Ų1759.3 Ų59.314%0.1432%0.319CS..THydrogen-bonded Turntrans-79.4-2.7178.200000114.1K17 L19 T23 H169 L173K17-A21 WeakPolarHBondContact O-CB 3.43Å; K17-A21 PolarHBondContact O-N 2.99Å; L19-A21 PolarHBondContact O-N 3.38Å; A21-T23 HydrophobicContact CB-CG2 3.99Å; A21-T23 PolarHBondContact O-N 3.08Å; A21-H169 HydrophobicContact CB-CB 4.08Å; A21-L173 HydrophobicContact CB-CB 4.41Å; A21-L173 HydrophobicContact CB-CD1 3.54Å
22G95.1Very high94.6Very high12 Ų1262 Ų6212%0.12433%0.331CS..THydrogen-bonded Turntrans68.329.4179.800000114.3F18 L19 A20 H24 L25 N164F18-G22 PolarHBondContact O-N 3.12Å; L19-G22 PolarHBondContact O-N 2.87Å; L19-G22 VanDerWaalsContact O-N 3.14Å; A20-G22 PolarHBondContact O-N 3.21Å; G22-H24 VanDerWaalsContact C-N 3.26Å; G22-H24 PolarHBondContact O-N 3.46Å; G22-L25 PolarHBondContact O-N 3.35Å; G22-N164 WeakPolarHBondContact O-CB 3.41Å; G22-N164 PolarHBondContact O-ND2 3.23Å; G22-N164 VanDerWaalsContact O-ND2 3.14Å
23T95.3Very high94.7Very high2 Ų258.4 Ų58.41%0.01231%0.314CS..THydrogen-bonded Turntrans-70-23.9-176.468.30000113.5F18 A21 L25 N164 S170 L173F18-T23 WeakPolarHBondContact CA-OG1 3.47Å; F18-T23 VanDerWaalsContact CB-OG1 3.26Å; F18-T23 WeakPolarHBondContact CB-OG1 3.32Å; F18-T23 HydrophobicContact CD1-CG2 3.77Å; F18-T23 VanDerWaalsContact CD1-OG1 3.32Å; F18-T23 WeakPolarHBondContact CD1-OG1 3.48Å; F18-T23 PolarHBondContact O-N 3.14Å; F18-T23 PolarHBondContact O-OG1 3.26Å; F18-T23 VanDerWaalsContact O-OG1 3.08Å; A21-T23 HydrophobicContact CB-CG2 3.99Å; A21-T23 PolarHBondContact O-N 3.08Å; T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 2.79Å; T23-N164 PolarHBondContact O-N 3.34Å; T23-S170 WeakPolarHBondContact CG2-OG 3.48Å; T23-L173 HydrophobicContact CG2-CD2 4.43Å
24H95.3Very high94.8Very high43 Ų4352.4 Ų52.420%0.19929%0.286CS..THydrogen-bonded Turntrans-75.4-1417864.3-78.6000113.4G22 I48 I49 L51G22-H24 VanDerWaalsContact C-N 3.26Å; G22-H24 PolarHBondContact O-N 3.46Å; H24-I48 CarbonylContact O-C 3.45Å; H24-I48 WeakPolarHBondContact O-CA 3.22Å; H24-I49 PolarHBondContact O-N 3.42Å; H24-L51 HydrophobicContact CB-CD1 4.36Å; H24-L51 HydrophobicContact CB-CD2 4.02Å; H24-L51 HydrophobicContact CB-CG 4.16Å
25L95.4Very high94.9Very high62 Ų6258.4 Ų58.433%0.32531%0.314SS..BIsolated β-bridgetrans-87.5111.1-179.6-59.6175000109.9G22 T23 N164G22-L25 PolarHBondContact O-N 3.35Å; T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 2.79Å; L25-N164 WeakPolarHBondContact O-CB 3.33Å; L25-N164 PolarHBondContact O-ND2 3.24Å
26G94.5Very high94.9Very high11 Ų1161.3 Ų61.311%0.11332%0.324CS..  trans-84.6-162.6176.600000113.6I46 Y47 N149G26-I46 WeakPolarHBondContact O-CG2 3.22Å; G26-Y47 VanDerWaalsContact CA-O 3.28Å; G26-Y47 WeakPolarHBondContact CA-O 3.47Å; G26-Y47 PolarHBondContact N-O 3.37Å; G26-N149 VanDerWaalsContact CA-OD1 3.31Å; G26-N149 WeakPolarHBondContact CA-OD1 3.27Å
27G93.1Very high94.9Very high7 Ų756.9 Ų56.97%0.07230%0.301CS..  trans-82.9178.7170.600000113.5Y47 N149 T150G27-Y47 WeakPolarHBondContact O-CD2 3.32Å; G27-Y47 PolarHBondContact O-N 2.97Å; G27-N149 PolarHBondContact N-OD1 3.49Å; G27-T150 WeakPolarHBondContact CA-OG1 3.45Å; G27-T150 PolarHBondContact N-OG1 3.07Å
28M93.9Very high94.9Very high122 Ų12255.1 Ų55.160%0.60130%0.295SS*.SBendtrans-80.6-25.7172.3-62.2175.475.200112.7Y47M28-Y47 WeakPolarHBondContact O-CE2 3.5Å
29N94.1Very high94.9Very high116 Ų11662.8 Ų62.862%0.6233%0.325SS*.SBendtrans-102.9153.6178.6-63.9-23.9000109.8T150 D151N29-T150 CarbonylContact O-C 3.59Å; N29-T150 WeakPolarHBondContact O-CB 3.19Å; N29-T150 PolarHBondContact O-OG1 3.46Å; N29-D151 HydrophobicContact CB-CB 4.15Å
30L94.9Very high94.9Very high53 Ų5364.6 Ų64.628%0.27733%0.329SS..  trans-130.3123.9-178.1-176.8147.3000108.9E35 V38 Y47 T150L30-E35 HydrophobicContact CD2-CB 3.91Å; L30-E35 HydrophobicContact CD2-CG 4.26Å; L30-V38 HydrophobicContact CD1-CB 4.02Å; L30-V38 HydrophobicContact CD1-CG1 4.08Å; L30-V38 HydrophobicContact CD1-CG2 3.64Å; L30-Y47 HydrophobicContact CB-CD2 3.93Å; L30-Y47 HydrophobicContact CB-CE1 4.4Å; L30-Y47 HydrophobicContact CB-CE2 3.55Å; L30-Y47 HydrophobicContact CD1-CD1 3.77Å; L30-Y47 HydrophobicContact CD1-CD2 4.31Å; L30-Y47 HydrophobicContact CD1-CE1 3.74Å; L30-Y47 HydrophobicContact CD1-CE2 4.29Å; L30-Y47 HydrophobicContact CD1-CG 4.06Å; L30-T150 CarbonylContact C-O 3.49Å; L30-T150 WeakPolarHBondContact CA-O 3.21Å
31D95.6Very high94.9Very high40 Ų4067.3 Ų67.321%0.21432%0.32CS..  trans-77.7144.2169-176.154.3000110.2Q33 M34 E35 T150D31-Q33 VanDerWaalsContact C-N 3.25Å; D31-Q33 PolarHBondContact O-N 2.78Å; D31-Q33 PolarHBondContact OD2-N 3.42Å; D31-M34 HydrophobicContact CB-CB 4.26Å; D31-M34 HydrophobicContact CB-CG 4.18Å; D31-M34 WeakPolarHBondContact O-CB 3.35Å; D31-M34 PolarHBondContact O-N 3.26Å; D31-E35 PolarHBondContact O-N 2.82Å; D31-T150 PolarHBondContact N-O 3.46Å
32F94.9Very high94.9Very high148 Ų14871.1 Ų71.165%0.64933%0.334SS*.THydrogen-bonded Turntrans-61.3-33.5-172.175.7-80.3000112.7M34 E35F32-M34 VanDerWaalsContact C-N 3.34Å; F32-E35 WeakPolarHBondContact O-CB 3.38Å
33Q94.6Very high94.8Very high80 Ų8076 Ų7637%0.37437%0.366SS..THydrogen-bonded Turntrans-80.1-20.9178.7-58.1-175.8-40.600112.6D31 E35 Q36 L154D31-Q33 VanDerWaalsContact C-N 3.25Å; D31-Q33 PolarHBondContact O-N 2.78Å; D31-Q33 PolarHBondContact OD2-N 3.42Å; Q33-E35 VanDerWaalsContact C-N 3.34Å; Q33-Q36 WeakPolarHBondContact O-CG 3.26Å; Q33-Q36 PolarHBondContact O-NE2 2.99Å; Q33-Q36 VanDerWaalsContact O-NE2 3.1Å; Q33-L154 HydrophobicContact CB-CD1 3.68Å; Q33-L154 HydrophobicContact CB-CG 4.38Å
34M95.6Very high94.6Very high1 Ų180.2 Ų80.21%0.00539%0.388CS..THydrogen-bonded Turntrans-82.1-12.2177.3-71.6-60.1-67.500113D31 F32 Q36 Y37 C148 N149 L154 P162D31-M34 HydrophobicContact CB-CB 4.26Å; D31-M34 HydrophobicContact CB-CG 4.18Å; D31-M34 WeakPolarHBondContact O-CB 3.35Å; D31-M34 PolarHBondContact O-N 3.26Å; F32-M34 VanDerWaalsContact C-N 3.34Å; M34-Q36 PolarHBondContact O-N 3.43Å; M34-Q36 VanDerWaalsContact O-N 3.15Å; M34-Y37 HydrophobicContact CE-CD2 3.75Å; M34-Y37 HydrophobicContact CE-CG 4.42Å; M34-Y37 PolarHBondContact O-N 3.39Å; M34-Y37 HydrophobicContact SD-CD2 3.63Å; M34-Y37 HydrophobicContact SD-CE2 4.01Å; M34-C148 HydrophobicContact CE-CB 4.01Å; M34-C148 HydrophobicContact SD-CB 4.14Å; M34-N149 WeakPolarHBondContact CE-O 3.3Å; M34-L154 HydrophobicContact CG-CD1 4.29Å; M34-L154 HydrophobicContact CG-CG 4.32Å; M34-L154 HydrophobicContact SD-CD1 3.74Å; M34-L154 HydrophobicContact SD-CD2 3.75Å; M34-L154 HydrophobicContact SD-CG 3.99Å; M34-P162 HydrophobicContact CE-CB 4.01Å
35E93.7Very high94.4Very high129 Ų12978.6 Ų78.660%0.60338%0.384SS*.G310 helixtrans-51.3-40.5177.8-166.4174.4177.700112.1L30 D31 F32 Q33 Y37 V38L30-E35 HydrophobicContact CD2-CB 3.91Å; L30-E35 HydrophobicContact CD2-CG 4.26Å; D31-E35 PolarHBondContact O-N 2.82Å; F32-E35 WeakPolarHBondContact O-CB 3.38Å; Q33-E35 VanDerWaalsContact C-N 3.34Å; E35-Y37 PolarHBondContact O-N 3.32Å; E35-Y37 VanDerWaalsContact O-N 3.1Å; E35-V38 PolarHBondContact O-N 2.78Å; E35-V38 VanDerWaalsContact O-N 3.14Å
36Q94.6Very high94.4Very high106 Ų10678.1 Ų78.150%0.49538%0.381SS..G310 helixtrans-60.5-23.1178.370.7-174.7-38.900113.5Q33 M34 K53Q33-Q36 WeakPolarHBondContact O-CG 3.26Å; Q33-Q36 PolarHBondContact O-NE2 2.99Å; Q33-Q36 VanDerWaalsContact O-NE2 3.1Å; M34-Q36 PolarHBondContact O-N 3.43Å; M34-Q36 VanDerWaalsContact O-N 3.15Å; Q36-K53 WeakPolarHBondContact O-CD 3.46Å; Q36-K53 WeakPolarHBondContact O-CE 3.33Å; Q36-K53 PolarHBondContact O-NZ 3Å
37Y95.7Very high94.5Very high14 Ų1479.8 Ų79.86%0.05538%0.384CS..G310 helixtrans-94.6-9.9-178.6-60-61.7000113.6M34 E35 N50 K53 K57 A160 P162M34-Y37 HydrophobicContact CE-CD2 3.75Å; M34-Y37 HydrophobicContact CE-CG 4.42Å; M34-Y37 PolarHBondContact O-N 3.39Å; M34-Y37 HydrophobicContact SD-CD2 3.63Å; M34-Y37 HydrophobicContact SD-CE2 4.01Å; E35-Y37 PolarHBondContact O-N 3.32Å; E35-Y37 VanDerWaalsContact O-N 3.1Å; Y37-N50 WeakPolarHBondContact O-CB 3Å; Y37-N50 PolarHBondContact O-N 2.88Å; Y37-K53 HydrophobicContact CD1-CB 4.06Å; Y37-K53 HydrophobicContact CD1-CD 4.17Å; Y37-K57 HydrophobicContact CE1-CD 4.4Å; Y37-K57 HydrophobicContact CE1-CG 4.04Å; Y37-K57 WeakPolarHBondContact OH-CE 3.27Å; Y37-K57 PolarHBondContact OH-NZ 3.28Å; Y37-K57 VanDerWaalsContact OH-NZ 3.07Å; Y37-A160 HydrophobicContact CE2-CB 4.27Å; Y37-P162 HydrophobicContact CD1-CB 4.32Å; Y37-P162 HydrophobicContact CD1-CG 3.67Å; Y37-P162 HydrophobicContact CD2-CB 4.38Å; Y37-P162 HydrophobicContact CD2-CG 4.48Å; Y37-P162 HydrophobicContact CE1-CG 4.34Å; Y37-P162 HydrophobicContact CG-CB 3.87Å; Y37-P162 HydrophobicContact CG-CG 3.74Å
38V95.5Very high94.6Very high24 Ų2480.9 Ų80.915%0.14539%0.388CS..EExtended strand (participates in β ladder)trans-86.4144.2-178174.50000110.3L30 E35 Y47 T150L30-V38 HydrophobicContact CD1-CB 4.02Å; L30-V38 HydrophobicContact CD1-CG1 4.08Å; L30-V38 HydrophobicContact CD1-CG2 3.64Å; E35-V38 PolarHBondContact O-N 2.78Å; E35-V38 VanDerWaalsContact O-N 3.14Å; V38-Y47 HydrophobicContact CG1-CD1 3.76Å; V38-Y47 HydrophobicContact CG1-CG 4.29Å; V38-T150 HydrophobicContact CG2-CG2 3.8Å
39Y95Very high94.7Very high160 Ų16075.2 Ų75.263%0.62736%0.36SS*.EExtended strand (participates in β ladder)trans-96.5-57.7177-179.2-113.3000111.6I48Y39-I48 PolarHBondContact N-O 3.19Å
40K95.3Very high94.8Very high120 Ų12071.7 Ų71.752%0.52234%0.341SS..EExtended strand (participates in β ladder)trans-155.4162.517972.4-176.8178.6178.10111.1I48K40-I48 HydrophobicContact CD-CD1 4.4Å; K40-I48 HydrophobicContact CG-CB 4.34Å; K40-I48 HydrophobicContact CG-CD1 3.92Å; K40-I48 HydrophobicContact CG-CG1 4.5Å; K40-I48 WeakPolarHBondContact O-CB 3.45Å; K40-I48 PolarHBondContact O-N 2.95Å
41R95.4Very high94.8Very high146 Ų14670.4 Ų70.455%0.55133%0.334SS*.EExtended strand (participates in β ladder)trans-93.5137.5169.4-161.9178.3-174.6-170.4-3.7110.2G45 Y47R41-G45 PolarHBondContact NE-O 3.48Å; R41-G45 VanDerWaalsContact NE-O 3.14Å; R41-Y47 HydrophobicContact CB-CD1 3.84Å; R41-Y47 HydrophobicContact CB-CE1 3.76Å; R41-Y47 HydrophobicContact CG-CD1 3.83Å; R41-Y47 HydrophobicContact CG-CE1 3.67Å; R41-Y47 HydrophobicContact CG-CG 4.42Å
42K94.7Very high94.7Very high98 Ų9875.1 Ų75.143%0.42635%0.353SS..  trans-80.7162.4173.3-158.6179.2178.7-151.30110.4D44 G45 I46K42-D44 VanDerWaalsContact CD-OD2 3.31Å; K42-D44 WeakPolarHBondContact CD-OD2 3.33Å; K42-D44 WeakPolarHBondContact CE-OD2 3.48Å; K42-D44 IonicContact NZ-OD2 3.07Å; K42-D44 PolarHBondContact NZ-OD2 3.47Å; K42-D44 PolarHBondContact O-N 3.15Å; K42-G45 PolarHBondContact O-N 3.38Å; K42-G45 VanDerWaalsContact O-N 3.1Å; K42-I46 WeakPolarHBondContact CB-O 3.39Å; K42-I46 PolarHBondContact N-O 3.3Å
43S93.9Very high94.6Very high113 Ų11372 Ų7279%0.7934%0.339SS*.THydrogen-bonded Turntrans-52.1-35.7170.646.70000112.8G45S43-G45 PolarHBondContact O-N 2.96Å; S43-G45 VanDerWaalsContact O-N 3.14Å
44D91.1Very high94.7Very high91 Ų9168.3 Ų68.349%0.48732%0.322SS..THydrogen-bonded Turntrans-76.50.8-175-43.7-18.7000112.2K42 I46K42-D44 VanDerWaalsContact CD-OD2 3.31Å; K42-D44 WeakPolarHBondContact CD-OD2 3.33Å; K42-D44 WeakPolarHBondContact CE-OD2 3.48Å; K42-D44 IonicContact NZ-OD2 3.07Å; K42-D44 PolarHBondContact NZ-OD2 3.47Å; K42-D44 PolarHBondContact O-N 3.15Å; D44-I46 VanDerWaalsContact C-N 3.29Å; D44-I46 PolarHBondContact O-N 3.16Å
45G91.2Very high94.6Very high10 Ų1068.6 Ų68.610%0.10332%0.323CS..SBendtrans86.2-10.9-179.400000114.9R41 K42 S43R41-G45 PolarHBondContact NE-O 3.48Å; R41-G45 VanDerWaalsContact NE-O 3.14Å; K42-G45 PolarHBondContact O-N 3.38Å; K42-G45 VanDerWaalsContact O-N 3.1Å; S43-G45 PolarHBondContact O-N 2.96Å; S43-G45 VanDerWaalsContact O-N 3.14Å
46I95.1Very high94.6Very high52 Ų5263.8 Ų63.827%0.26730%0.301SS..PPolyproline II helixtrans-71.9133.9176-63.6170000110.7G26 K42 D44G26-I46 WeakPolarHBondContact O-CG2 3.22Å; K42-I46 WeakPolarHBondContact CB-O 3.39Å; K42-I46 PolarHBondContact N-O 3.3Å; D44-I46 VanDerWaalsContact C-N 3.29Å; D44-I46 PolarHBondContact O-N 3.16Å
47Y95.9Very high94.7Very high45 Ų4561.3 Ų61.318%0.17629%0.288CS..EExtended strand (participates in β ladder)trans-82.2136172.7-71-76.1000111.6G26 G27 M28 L30 V38 R41G26-Y47 VanDerWaalsContact CA-O 3.28Å; G26-Y47 WeakPolarHBondContact CA-O 3.47Å; G26-Y47 PolarHBondContact N-O 3.37Å; G27-Y47 WeakPolarHBondContact O-CD2 3.32Å; G27-Y47 PolarHBondContact O-N 2.97Å; M28-Y47 WeakPolarHBondContact O-CE2 3.5Å; L30-Y47 HydrophobicContact CB-CD2 3.93Å; L30-Y47 HydrophobicContact CB-CE1 4.4Å; L30-Y47 HydrophobicContact CB-CE2 3.55Å; L30-Y47 HydrophobicContact CD1-CD1 3.77Å; L30-Y47 HydrophobicContact CD1-CD2 4.31Å; L30-Y47 HydrophobicContact CD1-CE1 3.74Å; L30-Y47 HydrophobicContact CD1-CE2 4.29Å; L30-Y47 HydrophobicContact CD1-CG 4.06Å; V38-Y47 HydrophobicContact CG1-CD1 3.76Å; V38-Y47 HydrophobicContact CG1-CG 4.29Å; R41-Y47 HydrophobicContact CB-CD1 3.84Å; R41-Y47 HydrophobicContact CB-CE1 3.76Å; R41-Y47 HydrophobicContact CG-CD1 3.83Å; R41-Y47 HydrophobicContact CG-CE1 3.67Å; R41-Y47 HydrophobicContact CG-CG 4.42Å
48I96.2Very high94.7Very high31 Ų3160.7 Ų60.716%0.15929%0.286CS..EExtended strand (participates in β ladder)trans-94.3123175.4-61174.7000108.5H24 Y39 K40H24-I48 CarbonylContact O-C 3.45Å; H24-I48 WeakPolarHBondContact O-CA 3.22Å; Y39-I48 PolarHBondContact N-O 3.19Å; K40-I48 HydrophobicContact CD-CD1 4.4Å; K40-I48 HydrophobicContact CG-CB 4.34Å; K40-I48 HydrophobicContact CG-CD1 3.92Å; K40-I48 HydrophobicContact CG-CG1 4.5Å; K40-I48 WeakPolarHBondContact O-CB 3.45Å; K40-I48 PolarHBondContact O-N 2.95Å
49I96.6Very high94.6Very high3 Ų359.6 Ų59.62%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-80.9139.7178.3-60.1173.5000109.6H24 L51 T54 T150 P162H24-I49 PolarHBondContact O-N 3.42Å; I49-L51 PolarHBondContact O-N 3.49Å; I49-T54 HydrophobicContact CG2-CG2 3.51Å; I49-T150 HydrophobicContact CD1-CG2 4.17Å; I49-T150 HydrophobicContact CG1-CG2 3.88Å; I49-P162 HydrophobicContact CG2-CB 3.79Å; I49-P162 HydrophobicContact CG2-CG 4.46Å
50N95.7Very high94.6Very high42 Ų4255.1 Ų55.123%0.22527%0.266CS..  trans-77.9107.2177.2-171.5-23.5000111.7Y37 K52 K53 T54Y37-N50 WeakPolarHBondContact O-CB 3Å; Y37-N50 PolarHBondContact O-N 2.88Å; N50-K52 PolarHBondContact O-N 3.47Å; N50-K52 WeakPolarHBondContact OD1-CB 3.39Å; N50-K52 PolarHBondContact OD1-N 2.76Å; N50-K53 HydrophobicContact CB-CB 4.4Å; N50-K53 HydrophobicContact CB-CD 4.4Å; N50-K53 HydrophobicContact CB-CG 4.25Å; N50-K53 PolarHBondContact O-N 2.77Å; N50-T54 WeakPolarHBondContact O-CG2 3.43Å; N50-T54 PolarHBondContact O-N 3.14Å; N50-T54 VanDerWaalsContact O-N 3.12Å
51L94.4Very high94.6Very high25 Ų2549.4 Ų49.413%0.13124%0.241CC..Hα-helixtrans-58.5-27.9179.9-67.5-179.1000114.6M10 F18 L19 H24 I49 K53 T54 W55M10-L51 HydrophobicContact CE-CB 4.05Å; F18-L51 HydrophobicContact CB-CD1 4.12Å; F18-L51 HydrophobicContact CB-CD2 3.99Å; F18-L51 HydrophobicContact CG-CD2 4.26Å; L19-L51 HydrophobicContact CD2-CD1 4.04Å; L19-L51 HydrophobicContact CG-CD1 4.47Å; H24-L51 HydrophobicContact CB-CD1 4.36Å; H24-L51 HydrophobicContact CB-CD2 4.02Å; H24-L51 HydrophobicContact CB-CG 4.16Å; I49-L51 PolarHBondContact O-N 3.49Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 2.75Å; L51-T54 WeakPolarHBondContact CA-OG1 3.14Å; L51-T54 HydrophobicContact CD2-CG2 4.33Å; L51-T54 PolarHBondContact O-N 3.07Å; L51-T54 PolarHBondContact O-OG1 3.31Å; L51-W55 PolarHBondContact O-N 3.35Å
52K93.4Very high94.6Very high140 Ų14042.4 Ų42.461%0.60921%0.214SC*.Hα-helixtrans-64.4-41.9174.5-174176.41791760110.8N50 W55 E56N50-K52 PolarHBondContact O-N 3.47Å; N50-K52 WeakPolarHBondContact OD1-CB 3.39Å; N50-K52 PolarHBondContact OD1-N 2.76Å; K52-W55 PolarHBondContact O-N 3.34Å; K52-E56 WeakPolarHBondContact CE-OE1 3.45Å; K52-E56 WeakPolarHBondContact O-CG 3.42Å; K52-E56 PolarHBondContact O-N 2.77Å
53K93.7Very high94.6Very high82 Ų8242.5 Ų42.536%0.35721%0.212SC..Hα-helixtrans-71.7-34.7178.4-63.4-171.9178-173.60111.7Q36 Y37 N50 L51 K57Q36-K53 WeakPolarHBondContact O-CD 3.46Å; Q36-K53 WeakPolarHBondContact O-CE 3.33Å; Q36-K53 PolarHBondContact O-NZ 3Å; Y37-K53 HydrophobicContact CD1-CB 4.06Å; Y37-K53 HydrophobicContact CD1-CD 4.17Å; N50-K53 HydrophobicContact CB-CB 4.4Å; N50-K53 HydrophobicContact CB-CD 4.4Å; N50-K53 HydrophobicContact CB-CG 4.25Å; N50-K53 PolarHBondContact O-N 2.77Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 2.75Å; K53-K57 WeakPolarHBondContact O-CB 3.38Å; K53-K57 WeakPolarHBondContact O-CG 3.45Å; K53-K57 PolarHBondContact O-N 2.81Å
54T95.2Very high94.7Very high2 Ų238.5 Ų38.51%0.01219%0.186CC..Hα-helixtrans-60.5-47.8173.874.10000110.5I49 N50 L51 K57 L58 P162I49-T54 HydrophobicContact CG2-CG2 3.51Å; N50-T54 WeakPolarHBondContact O-CG2 3.43Å; N50-T54 PolarHBondContact O-N 3.14Å; N50-T54 VanDerWaalsContact O-N 3.12Å; L51-T54 WeakPolarHBondContact CA-OG1 3.14Å; L51-T54 HydrophobicContact CD2-CG2 4.33Å; L51-T54 PolarHBondContact O-N 3.07Å; L51-T54 PolarHBondContact O-OG1 3.31Å; T54-K57 PolarHBondContact O-N 3.17Å; T54-L58 VanDerWaalsContact O-CB 3.31Å; T54-L58 WeakPolarHBondContact O-CB 3.41Å; T54-L58 PolarHBondContact O-N 3.07Å; T54-P162 VanDerWaalsContact CB-O 3.3Å; T54-P162 WeakPolarHBondContact CB-O 3.31Å; T54-P162 HydrophobicContact CG2-CB 4.31Å; T54-P162 HydrophobicContact CG2-CG 3.96Å; T54-P162 WeakPolarHBondContact CG2-O 3.48Å
55W94.8Very high94.9Very high8 Ų834.2 Ų34.23%0.0316%0.163CC..Hα-helixtrans-62.8-45.8178.7-176.1-107000112.7L8 M10 F18 L51 K52 K57 L58 L59 M177 E181L8-W55 PolarHBondContact O-NE1 3.34Å; M10-W55 HydrophobicContact CB-CD2 4.29Å; M10-W55 HydrophobicContact CB-CG 3.98Å; M10-W55 HydrophobicContact CG-CB 4.38Å; M10-W55 HydrophobicContact CG-CD2 4.14Å; M10-W55 HydrophobicContact CG-CG 4.04Å; M10-W55 HydrophobicContact SD-CB 4.18Å; M10-W55 HydrophobicContact SD-CG 4.47Å; F18-W55 HydrophobicContact CE2-CE3 4.02Å; F18-W55 HydrophobicContact CE2-CZ3 4.45Å; F18-W55 HydrophobicContact CZ-CE3 4.16Å; L51-W55 PolarHBondContact O-N 3.35Å; K52-W55 PolarHBondContact O-N 3.34Å; W55-K57 VanDerWaalsContact C-N 3.32Å; W55-K57 PolarHBondContact O-N 3.48Å; W55-L58 HydrophobicContact CE3-CD2 4.25Å; W55-L58 HydrophobicContact CZ3-CD2 4.12Å; W55-L58 PolarHBondContact O-N 3.4Å; W55-L59 HydrophobicContact CZ2-CD1 4.41Å; W55-L59 HydrophobicContact CZ2-CD2 4.35Å; W55-L59 HydrophobicContact CZ2-CG 4.47Å; W55-L59 PolarHBondContact O-N 3.4Å; W55-M177 HydrophobicContact CZ3-CE 4.3Å; W55-E181 HydrophobicContact CH2-CG 4.25Å
56E93.9Very high95.1Very high28 Ų2836 Ų3613%0.13117%0.172CC..Hα-helixtrans-63.1-37.4179-74.4-178.1-156.500112.9M1 K52 L60M1-E56 VanDerWaalsContact SD-OE2 3.33Å; K52-E56 WeakPolarHBondContact CE-OE1 3.45Å; K52-E56 WeakPolarHBondContact O-CG 3.42Å; K52-E56 PolarHBondContact O-N 2.77Å; E56-L60 PolarHBondContact O-N 3.32Å; E56-L60 VanDerWaalsContact O-N 3.16Å
57K95.7Very high95.1Very high54 Ų5437.4 Ų37.424%0.23519%0.191CC..Hα-helixtrans-74.6-35.8176.3-72.5-70.1-175.7163.70112.4Y37 K53 T54 W55 L60 A61 A160 I161Y37-K57 HydrophobicContact CE1-CD 4.4Å; Y37-K57 HydrophobicContact CE1-CG 4.04Å; Y37-K57 WeakPolarHBondContact OH-CE 3.27Å; Y37-K57 PolarHBondContact OH-NZ 3.28Å; Y37-K57 VanDerWaalsContact OH-NZ 3.07Å; K53-K57 WeakPolarHBondContact O-CB 3.38Å; K53-K57 WeakPolarHBondContact O-CG 3.45Å; K53-K57 PolarHBondContact O-N 2.81Å; T54-K57 PolarHBondContact O-N 3.17Å; W55-K57 VanDerWaalsContact C-N 3.32Å; W55-K57 PolarHBondContact O-N 3.48Å; K57-L60 PolarHBondContact O-N 3.21Å; K57-A61 PolarHBondContact O-N 3.39Å; K57-A160 WeakPolarHBondContact CG-O 3.43Å; K57-I161 HydrophobicContact CB-CG1 4.48Å
58L95.6Very high95.1Very high1 Ų136.3 Ų36.31%0.00519%0.188CC..Hα-helixtrans-61.4-44173.9-175.1128000111.5T54 W55 L60 A61 A62 M174 M177 L178 E181T54-L58 VanDerWaalsContact O-CB 3.31Å; T54-L58 WeakPolarHBondContact O-CB 3.41Å; T54-L58 PolarHBondContact O-N 3.07Å; W55-L58 HydrophobicContact CE3-CD2 4.25Å; W55-L58 HydrophobicContact CZ3-CD2 4.12Å; W55-L58 PolarHBondContact O-N 3.4Å; L58-L60 PolarHBondContact O-N 3.47Å; L58-A61 PolarHBondContact O-N 2.92Å; L58-A62 PolarHBondContact O-N 3.35Å; L58-M174 HydrophobicContact CD1-CE 3.54Å; L58-M177 HydrophobicContact CD1-CB 4.01Å; L58-M177 HydrophobicContact CD2-CB 4.32Å; L58-L178 HydrophobicContact CD1-CB 4.37Å; L58-E181 HydrophobicContact CD2-CG 3.98Å
59L94.2Very high94.9Very high1 Ų143.7 Ų43.71%0.00522%0.222CC..Hα-helixtrans-66.1-36.2174.8-72.5175.3000112.8L8 W55 A62 R63 E181 M185L8-L59 HydrophobicContact CB-CD1 4.19Å; L8-L59 WeakPolarHBondContact O-CD1 3.38Å; W55-L59 HydrophobicContact CZ2-CD1 4.41Å; W55-L59 HydrophobicContact CZ2-CD2 4.35Å; W55-L59 HydrophobicContact CZ2-CG 4.47Å; W55-L59 PolarHBondContact O-N 3.4Å; L59-A62 PolarHBondContact O-N 3.4Å; L59-R63 WeakPolarHBondContact O-CG 3.29Å; L59-R63 PolarHBondContact O-N 2.94Å; L59-E181 HydrophobicContact CD2-CB 4.46Å; L59-E181 HydrophobicContact CD2-CG 4.05Å; L59-M185 HydrophobicContact CD2-CE 3.86Å
60L95Very high94.8Very high65 Ų6546.9 Ų46.934%0.3424%0.239SC..Hα-helixtrans-63.3-44.9175.6-170.8159.3000110.6E56 K57 L58 R63 A64 I159E56-L60 PolarHBondContact O-N 3.32Å; E56-L60 VanDerWaalsContact O-N 3.16Å; K57-L60 PolarHBondContact O-N 3.21Å; L58-L60 PolarHBondContact O-N 3.47Å; L60-R63 PolarHBondContact O-N 3.38Å; L60-A64 PolarHBondContact O-N 3.25Å; L60-A64 VanDerWaalsContact O-N 3.09Å; L60-I159 HydrophobicContact CD2-CB 4.4Å; L60-I159 HydrophobicContact CD2-CD1 3.28Å; L60-I159 HydrophobicContact CD2-CG1 3.6Å; L60-I159 HydrophobicContact CD2-CG2 3.87Å
61A95.9Very high94.7Very high0 Ų046.9 Ų46.90%024%0.241CC..Hα-helixtrans-61.5-44.7174.500000112.3K57 L58 R63 A64 I65 I145 I159 I161K57-A61 PolarHBondContact O-N 3.39Å; L58-A61 PolarHBondContact O-N 2.92Å; A61-R63 VanDerWaalsContact C-N 3.3Å; A61-R63 PolarHBondContact O-N 3.26Å; A61-A64 WeakPolarHBondContact O-CB 3.31Å; A61-A64 PolarHBondContact O-N 2.83Å; A61-A64 VanDerWaalsContact O-N 3.13Å; A61-I65 WeakPolarHBondContact O-CD1 3.13Å; A61-I65 WeakPolarHBondContact O-CG1 3.26Å; A61-I65 PolarHBondContact O-N 2.83Å; A61-I145 HydrophobicContact CB-CD1 3.82Å; A61-I145 HydrophobicContact CB-CG2 3.84Å; A61-I159 HydrophobicContact CB-CG2 4.3Å; A61-I161 HydrophobicContact CB-CD1 3.69Å; A61-I161 HydrophobicContact CB-CG1 4.29Å
62A95.3Very high94.6Very high0 Ų047.4 Ų47.40%025%0.249CC..Hα-helixtrans-58.4-41.4176.500000112L58 L59 I65 V66 E181 V182 M185L58-A62 PolarHBondContact O-N 3.35Å; L59-A62 PolarHBondContact O-N 3.4Å; A62-I65 PolarHBondContact O-N 2.89Å; A62-V66 WeakPolarHBondContact O-CG2 3.31Å; A62-V66 PolarHBondContact O-N 3.05Å; A62-E181 HydrophobicContact CB-CB 4.01Å; A62-V182 HydrophobicContact CB-CG2 4.02Å; A62-M185 HydrophobicContact CB-CE 3.91Å; A62-M185 HydrophobicContact CB-SD 4.07Å
63R94.3Very high94.7Very high99 Ų9943.2 Ų43.237%0.37423%0.234SC..Hα-helixtrans-62.9-41.7175.1-71.4175-173.9176.52.6112.5S2 L8 L59 L60 A61 I65 V66 A67 M185S2-R63 PolarHBondContact O-NH2 3.48Å; L8-R63 VanDerWaalsContact CD1-NH2 3.25Å; L59-R63 WeakPolarHBondContact O-CG 3.29Å; L59-R63 PolarHBondContact O-N 2.94Å; L60-R63 PolarHBondContact O-N 3.38Å; A61-R63 VanDerWaalsContact C-N 3.3Å; A61-R63 PolarHBondContact O-N 3.26Å; R63-I65 VanDerWaalsContact C-N 3.3Å; R63-I65 PolarHBondContact O-N 2.71Å; R63-V66 PolarHBondContact O-N 3.01Å; R63-A67 PolarHBondContact O-N 3.19Å; R63-A67 VanDerWaalsContact O-N 3.07Å; R63-M185 HydrophobicContact CB-SD 4.48Å; R63-M185 HydrophobicContact CG-CE 3.86Å; R63-M185 HydrophobicContact CG-SD 3.7Å
64A95.4Very high94.8Very high29 Ų2939.4 Ų39.424%0.2422%0.217CC..Hα-helixtrans-63.1-38.117800000112L60 A61 A67 L121 I145 I159L60-A64 PolarHBondContact O-N 3.25Å; L60-A64 VanDerWaalsContact O-N 3.09Å; A61-A64 WeakPolarHBondContact O-CB 3.31Å; A61-A64 PolarHBondContact O-N 2.83Å; A61-A64 VanDerWaalsContact O-N 3.13Å; A64-A67 PolarHBondContact O-N 3.3Å; A64-L121 HydrophobicContact CB-CD1 4.12Å; A64-I145 HydrophobicContact CB-CD1 4.21Å; A64-I159 HydrophobicContact CB-CD1 4.12Å
65I95.6Very high94.8Very high2 Ų239.3 Ų39.31%0.0122%0.217CC..Hα-helixtrans-69.4-38.4177.5-65.4161.7000111.6A61 A62 R63 A67 I68 V74 L121 I123 I145 L178 V182A61-I65 WeakPolarHBondContact O-CD1 3.13Å; A61-I65 WeakPolarHBondContact O-CG1 3.26Å; A61-I65 PolarHBondContact O-N 2.83Å; A62-I65 PolarHBondContact O-N 2.89Å; R63-I65 VanDerWaalsContact C-N 3.3Å; R63-I65 PolarHBondContact O-N 2.71Å; I65-A67 VanDerWaalsContact C-N 3.28Å; I65-A67 PolarHBondContact O-N 2.67Å; I65-I68 PolarHBondContact O-N 3.28Å; I65-V74 HydrophobicContact CG2-CG2 4.42Å; I65-L121 HydrophobicContact CG1-CD1 4.43Å; I65-L121 HydrophobicContact CG1-CD2 4.13Å; I65-I123 HydrophobicContact CD1-CD1 3.41Å; I65-I123 VanDerWaalsContact CD1-CD1 3.41Å; I65-I123 HydrophobicContact CG1-CD1 3.91Å; I65-I145 HydrophobicContact CG1-CD1 4.4Å; I65-L178 HydrophobicContact CD1-CD2 3.49Å; I65-L178 VanDerWaalsContact CD1-CD2 3.49Å; I65-L178 HydrophobicContact CD1-CG 4.42Å; I65-V182 HydrophobicContact CB-CG2 4.08Å; I65-V182 HydrophobicContact CD1-CG2 4.08Å; I65-V182 HydrophobicContact CG2-CG1 4.03Å; I65-V182 HydrophobicContact CG2-CG2 3.9Å
66V95.4Very high94.9Very high47 Ų4739 Ų3929%0.28522%0.215SC..Hα-helixtrans-70.9-26.6178.9174.60000111.8A62 R63 I68 V182 M185 R186A62-V66 WeakPolarHBondContact O-CG2 3.31Å; A62-V66 PolarHBondContact O-N 3.05Å; R63-V66 PolarHBondContact O-N 3.01Å; V66-I68 PolarHBondContact O-N 3.47Å; V66-V182 HydrophobicContact CG2-CG1 4.14Å; V66-M185 HydrophobicContact CG1-CB 4.33Å; V66-M185 HydrophobicContact CG2-CB 3.64Å; V66-M185 HydrophobicContact CG2-SD 4.25Å; V66-R186 HydrophobicContact CG1-CG 4.47Å; V66-R186 HydrophobicContact CG2-CG 4.3Å
67A95.7Very high95Very high81 Ų8137.6 Ų37.667%0.66921%0.209SC*.THydrogen-bonded Turntrans-66.1-13.417700000113.6R63 A64 I65R63-A67 PolarHBondContact O-N 3.19Å; R63-A67 VanDerWaalsContact O-N 3.07Å; A64-A67 PolarHBondContact O-N 3.3Å; I65-A67 VanDerWaalsContact C-N 3.28Å; I65-A67 PolarHBondContact O-N 2.67Å
68I95Very high94.9Very high22 Ų2235 Ų3511%0.11320%0.198CC..  trans-89.1122.1177.9-62170000109I65 V66 N70 D73 V74 R120 L121I65-I68 PolarHBondContact O-N 3.28Å; V66-I68 PolarHBondContact O-N 3.47Å; I68-N70 WeakPolarHBondContact CG2-O 3.19Å; I68-D73 HydrophobicContact CG2-CB 4.33Å; I68-V74 HydrophobicContact CB-CG2 4.29Å; I68-V74 HydrophobicContact CD1-CG2 3.58Å; I68-V74 HydrophobicContact CG2-CG2 4.29Å; I68-R120 HydrophobicContact CD1-CB 4.43Å; I68-L121 HydrophobicContact CD1-CB 3.3Å; I68-L121 HydrophobicContact CD1-CD1 3.79Å; I68-L121 HydrophobicContact CD1-CG 4.14Å
69E92.1Very high94.8Very high186 Ų18636.7 Ų36.787%0.86921%0.209SC*.SBendtrans-62.5-49.1-177.9-63.3173.7-178.900111.9P71E69-P71 WeakPolarHBondContact O-CD 3.35Å
70N94.3Very high94.6Very high71 Ų7138.9 Ų38.938%0.3822%0.218SC..SBendtrans-93.3111.9176.8-17712.7000111I68 A72 D73I68-N70 WeakPolarHBondContact CG2-O 3.19Å; N70-A72 PolarHBondContact O-N 3.4Å; N70-A72 PolarHBondContact OD1-N 3.4Å; N70-D73 PolarHBondContact ND2-OD1 2.81Å; N70-D73 PolarHBondContact O-N 3.36Å
71P93.1Very high94.4Very high41 Ų4139 Ų3927%0.26622%0.219SC..G310 helixtrans-61.2-27.5179.925-34.8000113.8E69 D73 V74 T94 G95 A96E69-P71 WeakPolarHBondContact O-CD 3.35Å; P71-D73 PolarHBondContact O-N 3.29Å; P71-V74 WeakPolarHBondContact O-CB 3.31Å; P71-V74 PolarHBondContact O-N 3.39Å; P71-T94 WeakPolarHBondContact CB-O 3.39Å; P71-G95 CarbonylContact C-O 3.58Å; P71-A96 WeakPolarHBondContact O-CA 3.45Å
72A93.7Very high94.1Very high37 Ų3739.2 Ų39.231%0.30622%0.22SC..G310 helixtrans-69.3-23.6-178.200000113N70 V74 G95 T97N70-A72 PolarHBondContact O-N 3.4Å; N70-A72 PolarHBondContact OD1-N 3.4Å; A72-V74 PolarHBondContact O-N 2.99Å; A72-G95 WeakPolarHBondContact CA-O 3.45Å; A72-G95 PolarHBondContact N-O 2.71Å; A72-T97 HydrophobicContact CB-CG2 4.45Å; A72-T97 WeakPolarHBondContact O-CG2 3.49Å; A72-T97 PolarHBondContact O-OG1 3.04Å
73D94Very high93.9Very high52 Ų5239.2 Ų39.228%0.27822%0.22SC..G310 helixtrans-75.7-4.9178.2-61.5-9000112.3I68 N70 P71 P119 R120I68-D73 HydrophobicContact CG2-CB 4.33Å; N70-D73 PolarHBondContact ND2-OD1 2.81Å; N70-D73 PolarHBondContact O-N 3.36Å; P71-D73 PolarHBondContact O-N 3.29Å; D73-P119 CarbonylContact O-C 3.44Å; D73-P119 WeakPolarHBondContact O-CA 3.32Å; D73-P119 VanDerWaalsContact O-CB 3.25Å; D73-P119 WeakPolarHBondContact O-CB 3.47Å; D73-R120 HydrophobicContact CB-CB 4.31Å; D73-R120 HydrophobicContact CB-CG 4.1Å; D73-R120 PolarHBondContact O-N 2.84Å
74V95.9Very high93.8Very high2 Ų237.5 Ų37.51%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-86.4120.2169.3-178.90000108.4I65 I68 P71 A72 V76 A96 T97 L121 I123I65-V74 HydrophobicContact CG2-CG2 4.42Å; I68-V74 HydrophobicContact CB-CG2 4.29Å; I68-V74 HydrophobicContact CD1-CG2 3.58Å; I68-V74 HydrophobicContact CG2-CG2 4.29Å; P71-V74 WeakPolarHBondContact O-CB 3.31Å; P71-V74 PolarHBondContact O-N 3.39Å; A72-V74 PolarHBondContact O-N 2.99Å; V74-V76 HydrophobicContact CG1-CG2 4.4Å; V74-A96 HydrophobicContact CB-CB 4.22Å; V74-A96 HydrophobicContact CG1-CB 4.36Å; V74-A96 WeakPolarHBondContact O-CB 3.47Å; V74-T97 PolarHBondContact O-N 3.46Å; V74-T97 PolarHBondContact O-OG1 3.46Å; V74-T97 VanDerWaalsContact O-OG1 3.07Å; V74-L121 HydrophobicContact CG1-CD2 3.9Å; V74-I123 HydrophobicContact CG1-CD1 3.95Å; V74-I123 HydrophobicContact CG1-CG1 4.26Å
75C95.7Very high93.6Very high0 Ų039.3 Ų39.30%022%0.217CC..EExtended strand (participates in β ladder)trans-104.6132.5177.7174.90000110.8T97 F99 P119 L121 L122 I123C75-T97 CarbonylContact C-O 3.57Å; C75-T97 WeakPolarHBondContact CA-O 3.37Å; C75-F99 WeakPolarHBondContact SG-CD2 3.27Å; C75-F99 VanDerWaalsContact SG-CE2 3.54Å; C75-P119 HydrophobicContact CB-CB 3.29Å; C75-P119 HydrophobicContact CB-CG 3.54Å; C75-L121 PolarHBondContact N-O 2.99Å; C75-L122 CarbonylContact O-C 3.55Å; C75-L122 WeakPolarHBondContact O-CA 3.42Å; C75-I123 PolarHBondContact O-N 3.48Å
76V96.6Very high93.6Very high0 Ų039.2 Ų39.20%022%0.216CC..EExtended strand (participates in β ladder)trans-119.5126.4-178.5-171.90000109.7V74 V87 F90 A96 T97 T98 F99 I123 W175V74-V76 HydrophobicContact CG1-CG2 4.4Å; V76-V87 HydrophobicContact CB-CG1 3.89Å; V76-V87 HydrophobicContact CG1-CB 4.08Å; V76-V87 HydrophobicContact CG1-CG1 3.5Å; V76-V87 HydrophobicContact CG1-CG2 3.63Å; V76-F90 HydrophobicContact CG1-CD1 4.34Å; V76-F90 HydrophobicContact CG2-CD1 3.78Å; V76-F90 HydrophobicContact CG2-CE1 3.68Å; V76-A96 HydrophobicContact CG2-CB 4Å; V76-T97 PolarHBondContact N-O 3.01Å; V76-T98 HydrophobicContact CB-CG2 4.33Å; V76-T98 CarbonylContact O-C 3.52Å; V76-T98 VanDerWaalsContact O-CA 3.3Å; V76-T98 WeakPolarHBondContact O-CA 3.41Å; V76-F99 PolarHBondContact O-N 3.14Å; V76-I123 WeakPolarHBondContact CA-O 3.41Å; V76-I123 HydrophobicContact CG1-CB 4.44Å; V76-I123 HydrophobicContact CG2-CB 4.42Å; V76-I123 HydrophobicContact CG2-CD1 4.18Å; V76-I123 HydrophobicContact CG2-CG1 4.5Å; V76-W175 HydrophobicContact CG1-CE3 4.43Å; V76-W175 HydrophobicContact CG1-CH2 3.19Å; V76-W175 HydrophobicContact CG1-CZ2 3.9Å; V76-W175 HydrophobicContact CG1-CZ3 3.49Å; V76-W175 VanDerWaalsContact CG1-CZ3 3.49Å
77I95.8Very high93.6Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-126.8133.4-172.4-52.2-168.1000111.2F99 F103 F108 L122 I123 T125 P133I77-F99 WeakPolarHBondContact CA-O 3.35Å; I77-F99 HydrophobicContact CD1-CB 4.44Å; I77-F99 HydrophobicContact CD1-CD2 4.17Å; I77-F99 HydrophobicContact CG1-CB 4.15Å; I77-F99 HydrophobicContact CG1-CD2 4.19Å; I77-F99 HydrophobicContact CG2-CB 4.36Å; I77-F103 HydrophobicContact CD1-CD2 3.84Å; I77-F103 HydrophobicContact CD1-CE2 3.62Å; I77-F103 HydrophobicContact CG2-CD2 4.42Å; I77-F108 HydrophobicContact CD1-CE2 4.31Å; I77-F108 HydrophobicContact CD1-CZ 3.75Å; I77-L122 HydrophobicContact CD1-CD1 3.76Å; I77-L122 HydrophobicContact CG1-CD1 4.3Å; I77-I123 PolarHBondContact N-O 3.12Å; I77-T125 PolarHBondContact O-N 3.27Å; I77-P133 HydrophobicContact CD1-CB 3.64Å; I77-P133 HydrophobicContact CD1-CG 4.17Å; I77-P133 HydrophobicContact CG2-CG 4.19Å
78S95.3Very high93.5Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-143.6108.2167.2-178.80000109.6R80 G83 Q84 F99 G101 T125S78-R80 VanDerWaalsContact C-N 3.33Å; S78-R80 PolarHBondContact OG-O 3.08Å; S78-G83 VanDerWaalsContact OG-C 3.27Å; S78-G83 VanDerWaalsContact OG-CA 3.24Å; S78-G83 WeakPolarHBondContact OG-CA 3.21Å; S78-Q84 PolarHBondContact OG-N 3.47Å; S78-F99 PolarHBondContact N-O 3.27Å; S78-F99 VanDerWaalsContact N-O 3.14Å; S78-G101 PolarHBondContact O-N 3.41Å; S78-T125 WeakPolarHBondContact CA-OG1 3.23Å; S78-T125 WeakPolarHBondContact CB-OG1 3.46Å; S78-T125 PolarHBondContact OG-OG1 3.49Å
79S92.4Very high93.5Very high36 Ų3639.6 Ų39.625%0.25220%0.201SC..  trans-73.6-31.5167.665.70000111.9Q84 G101 D130S79-Q84 PolarHBondContact O-NE2 3.49Å; S79-Q84 VanDerWaalsContact O-NE2 3.07Å; S79-G101 VanDerWaalsContact CA-O 3.26Å; S79-G101 WeakPolarHBondContact CA-O 3.45Å; S79-D130 WeakPolarHBondContact CA-OD1 3.45Å; S79-D130 WeakPolarHBondContact CB-OD1 3.46Å; S79-D130 PolarHBondContact N-OD1 3.05Å; S79-D130 PolarHBondContact OG-OD1 3.16Å
80R90.4Very high93.7Very high47 Ų4730.7 Ų30.718%0.17716%0.16CC..SBendtrans-74.7136.4-176.1-137.5175.772.7-174.410.5112.2S78 T82 G83 Q84 D126 N165S78-R80 VanDerWaalsContact C-N 3.33Å; S78-R80 PolarHBondContact OG-O 3.08Å; R80-T82 VanDerWaalsContact C-N 3.26Å; R80-T82 VanDerWaalsContact CZ-OG1 3.31Å; R80-T82 PolarHBondContact NE-OG1 3.48Å; R80-T82 PolarHBondContact NH2-OG1 3.04Å; R80-T82 PolarHBondContact O-N 3.44Å; R80-G83 PolarHBondContact O-N 3.2Å; R80-G83 VanDerWaalsContact O-N 3.11Å; R80-Q84 WeakPolarHBondContact O-CG 3.46Å; R80-Q84 PolarHBondContact O-N 2.99Å; R80-D126 IonicContact NH1-OD2 2.93Å; R80-D126 PolarHBondContact NH1-OD2 3.3Å; R80-D126 VanDerWaalsContact NH1-OD2 3.07Å; R80-N165 PolarHBondContact NH1-O 3.03Å; R80-N165 PolarHBondContact NH2-O 2.88Å
81N90.3Very high93.7Very high67 Ų6727.8 Ų27.836%0.35815%0.145SC..Hα-helixtrans-50.2-44.3179.759.6-14.6000113.1G83 Q84 Y204N81-G83 PolarHBondContact O-N 2.99Å; N81-Q84 PolarHBondContact O-N 3.5Å; N81-Y204 HydrophobicContact CB-CE1 4.5Å; N81-Y204 HydrophobicContact CB-CE2 4.07Å; N81-Y204 WeakPolarHBondContact O-CD2 3.39Å
82T90.2Very high93.8Very high5 Ų530.1 Ų30.13%0.03116%0.163CC..Hα-helixtrans-57.3-27.4-177.863.50000114.4R80 H168 Y204R80-T82 VanDerWaalsContact C-N 3.26Å; R80-T82 VanDerWaalsContact CZ-OG1 3.31Å; R80-T82 PolarHBondContact NE-OG1 3.48Å; R80-T82 PolarHBondContact NH2-OG1 3.04Å; R80-T82 PolarHBondContact O-N 3.44Å; T82-H168 VanDerWaalsContact CG2-CE1 3.45Å; T82-H168 WeakPolarHBondContact CG2-CE1 3.24Å; T82-H168 WeakPolarHBondContact CG2-ND1 3.48Å; T82-Y204 WeakPolarHBondContact O-CB 3.46Å
83G90Very high93.8Very high0 Ų029.9 Ų29.90%016%0.161CC..Hα-helixtrans-104.1-14.3-176.300000114S78 R80 N81 R85 A86 V87S78-G83 VanDerWaalsContact OG-C 3.27Å; S78-G83 VanDerWaalsContact OG-CA 3.24Å; S78-G83 WeakPolarHBondContact OG-CA 3.21Å; R80-G83 PolarHBondContact O-N 3.2Å; R80-G83 VanDerWaalsContact O-N 3.11Å; N81-G83 PolarHBondContact O-N 2.99Å; G83-R85 PolarHBondContact O-N 3.28Å; G83-A86 PolarHBondContact O-N 3.25Å; G83-A86 VanDerWaalsContact O-N 3.17Å; G83-V87 WeakPolarHBondContact O-CB 3.32Å; G83-V87 WeakPolarHBondContact O-CG2 3.33Å; G83-V87 PolarHBondContact O-N 2.96Å
84Q92.4Very high93.8Very high62 Ų6227.6 Ų27.629%0.2915%0.149SC..Hα-helixtrans-58.5-48.7-173.9-74.3168.89.900112.3S78 S79 R80 N81 V87 L88 H100S78-Q84 PolarHBondContact OG-N 3.47Å; S79-Q84 PolarHBondContact O-NE2 3.49Å; S79-Q84 VanDerWaalsContact O-NE2 3.07Å; R80-Q84 WeakPolarHBondContact O-CG 3.46Å; R80-Q84 PolarHBondContact O-N 2.99Å; N81-Q84 PolarHBondContact O-N 3.5Å; Q84-V87 PolarHBondContact O-N 3.42Å; Q84-L88 WeakPolarHBondContact O-CG 3.3Å; Q84-L88 PolarHBondContact O-N 3.48Å; Q84-L88 VanDerWaalsContact O-N 3.14Å; Q84-H100 HydrophobicContact CB-CB 4.34Å; Q84-H100 HydrophobicContact CG-CB 4.3Å
85R92.9Very high93.6Very high68 Ų6829.5 Ų29.526%0.25717%0.169SC..Hα-helixtrans-64.5-42.6176.6178.8170.3168.7168.98112.2G83 V87 L88 K89 L201 F203G83-R85 PolarHBondContact O-N 3.28Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 2.96Å; R85-L88 PolarHBondContact O-N 3.41Å; R85-K89 WeakPolarHBondContact O-CG 3.27Å; R85-K89 PolarHBondContact O-N 2.9Å; R85-K89 VanDerWaalsContact O-N 3.07Å; R85-L201 PolarHBondContact NE-O 3.28Å; R85-F203 VanDerWaalsContact CD-O 3.23Å; R85-F203 WeakPolarHBondContact CD-O 3.26Å; R85-F203 PolarHBondContact NE-O 3.47Å
86A94.8Very high93.6Very high0 Ų030.1 Ų30.10%017%0.174CC..Hα-helixtrans-61.8-42.818000000111.7G83 K89 F90 W175 Y202G83-A86 PolarHBondContact O-N 3.25Å; G83-A86 VanDerWaalsContact O-N 3.17Å; A86-K89 PolarHBondContact O-N 3.43Å; A86-F90 VanDerWaalsContact O-CB 3.24Å; A86-F90 WeakPolarHBondContact O-CB 3.33Å; A86-F90 PolarHBondContact O-N 2.85Å; A86-W175 HydrophobicContact CB-CB 3.96Å; A86-W175 VanDerWaalsContact CB-CD1 3.43Å; A86-W175 HydrophobicContact CB-CG 3.83Å; A86-Y202 HydrophobicContact CB-CD1 4.46Å; A86-Y202 WeakPolarHBondContact CB-O 3.17Å
87V94.8Very high93.5Very high0 Ų032.1 Ų32.10%019%0.186CC..Hα-helixtrans-65.4-43.5178.3165.90000111.7V76 G83 Q84 R85 K89 F90 A91 T98 T125 W175V76-V87 HydrophobicContact CB-CG1 3.89Å; V76-V87 HydrophobicContact CG1-CB 4.08Å; V76-V87 HydrophobicContact CG1-CG1 3.5Å; V76-V87 HydrophobicContact CG1-CG2 3.63Å; G83-V87 WeakPolarHBondContact O-CB 3.32Å; G83-V87 WeakPolarHBondContact O-CG2 3.33Å; G83-V87 PolarHBondContact O-N 2.96Å; Q84-V87 PolarHBondContact O-N 3.42Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 2.96Å; V87-K89 PolarHBondContact O-N 3.45Å; V87-F90 WeakPolarHBondContact O-CB 3.44Å; V87-F90 PolarHBondContact O-N 3.23Å; V87-A91 WeakPolarHBondContact O-CB 3.47Å; V87-A91 PolarHBondContact O-N 3.01Å; V87-T98 HydrophobicContact CG1-CG2 3.48Å; V87-T98 VanDerWaalsContact CG1-CG2 3.48Å; V87-T125 HydrophobicContact CG2-CG2 4.1Å; V87-W175 HydrophobicContact CG2-CD2 4.44Å; V87-W175 HydrophobicContact CG2-CH2 4.35Å; V87-W175 HydrophobicContact CG2-CZ2 3.8Å
88L94.7Very high93.5Very high80 Ų8033.8 Ų33.842%0.41920%0.197SC..Hα-helixtrans-57.8-47.1174.4-80.7168.4000112Q84 R85 S92 H100Q84-L88 WeakPolarHBondContact O-CG 3.3Å; Q84-L88 PolarHBondContact O-N 3.48Å; Q84-L88 VanDerWaalsContact O-N 3.14Å; R85-L88 PolarHBondContact O-N 3.41Å; L88-S92 PolarHBondContact O-N 2.97Å; L88-H100 WeakPolarHBondContact CD2-CD2 3.21Å; L88-H100 WeakPolarHBondContact CD2-NE2 3.04Å; L88-H100 HydrophobicContact CG-CB 4.5Å
89K94.9Very high93.3Very high77 Ų7735.9 Ų35.934%0.33521%0.206SC..Hα-helixtrans-68.5-39.9178.6-66.3-59.2-177-174.70112R85 A86 V87 A91 S92 A93 L201 Y202R85-K89 WeakPolarHBondContact O-CG 3.27Å; R85-K89 PolarHBondContact O-N 2.9Å; R85-K89 VanDerWaalsContact O-N 3.07Å; A86-K89 PolarHBondContact O-N 3.43Å; V87-K89 PolarHBondContact O-N 3.45Å; K89-A91 PolarHBondContact O-N 3.31Å; K89-S92 WeakPolarHBondContact CA-OG 3.39Å; K89-S92 PolarHBondContact O-N 2.99Å; K89-S92 PolarHBondContact O-OG 3.38Å; K89-A93 PolarHBondContact O-N 2.92Å; K89-A93 VanDerWaalsContact O-N 3.07Å; K89-L201 HydrophobicContact CD-CD2 4.3Å; K89-L201 HydrophobicContact CD-CG 4.24Å; K89-L201 HydrophobicContact CG-CG 4.35Å; K89-Y202 HydrophobicContact CB-CD1 3.92Å; K89-Y202 HydrophobicContact CB-CD2 4.35Å; K89-Y202 HydrophobicContact CB-CE1 3.72Å; K89-Y202 HydrophobicContact CB-CE2 4.12Å; K89-Y202 HydrophobicContact CB-CG 4.24Å; K89-Y202 PolarHBondContact O-OH 3Å
90F95.9Very high93.3Very high0 Ų038.6 Ų38.60%021%0.214CC..Hα-helixtrans-56.6-50.6175.1176.9-92.7000111.4V76 A86 V87 S92 A93 T94 A96 I123 W175 L178 A179 Y202V76-F90 HydrophobicContact CG1-CD1 4.34Å; V76-F90 HydrophobicContact CG2-CD1 3.78Å; V76-F90 HydrophobicContact CG2-CE1 3.68Å; A86-F90 VanDerWaalsContact O-CB 3.24Å; A86-F90 WeakPolarHBondContact O-CB 3.33Å; A86-F90 PolarHBondContact O-N 2.85Å; V87-F90 WeakPolarHBondContact O-CB 3.44Å; V87-F90 PolarHBondContact O-N 3.23Å; F90-S92 PolarHBondContact O-N 3.38Å; F90-A93 WeakPolarHBondContact O-CB 3.33Å; F90-A93 PolarHBondContact O-N 2.93Å; F90-A93 VanDerWaalsContact O-N 3.1Å; F90-T94 HydrophobicContact CD2-CG2 4.36Å; F90-T94 HydrophobicContact CE1-CG2 4.14Å; F90-T94 WeakPolarHBondContact CE1-OG1 3.32Å; F90-T94 HydrophobicContact CE2-CG2 3.8Å; F90-T94 HydrophobicContact CZ-CG2 3.7Å; F90-T94 PolarHBondContact O-N 3.18Å; F90-T94 PolarHBondContact O-OG1 3.35Å; F90-T94 VanDerWaalsContact O-OG1 3.13Å; F90-A96 HydrophobicContact CE1-CB 4.34Å; F90-I123 HydrophobicContact CE1-CD1 4.33Å; F90-I123 HydrophobicContact CZ-CD1 4.4Å; F90-W175 HydrophobicContact CB-CE3 3.98Å; F90-W175 HydrophobicContact CD1-CE3 4.06Å; F90-W175 AromaticContact CD1-CZ3 3.96Å; F90-W175 HydrophobicContact CD1-CZ3 3.96Å; F90-W175 AromaticContact CD2-CE3 3.62Å; F90-W175 HydrophobicContact CD2-CE3 3.62Å; F90-W175 HydrophobicContact CD2-CZ3 4.19Å; F90-W175 HydrophobicContact CE1-CZ3 4.15Å; F90-W175 HydrophobicContact CE2-CE3 4.17Å; F90-W175 HydrophobicContact CE2-CZ3 4.42Å; F90-W175 AromaticContact CG-CE3 3.59Å; F90-W175 HydrophobicContact CG-CE3 3.59Å; F90-W175 AromaticContact CG-CZ3 3.98Å; F90-W175 HydrophobicContact CG-CZ3 3.98Å; F90-W175 HydrophobicContact CZ-CZ3 4.38Å; F90-L178 HydrophobicContact CD2-CD2 4.32Å; F90-L178 HydrophobicContact CE2-CB 4.4Å; F90-L178 HydrophobicContact CE2-CD2 3.23Å; F90-L178 HydrophobicContact CE2-CG 4.4Å; F90-L178 HydrophobicContact CZ-CD2 3.42Å; F90-L178 VanDerWaalsContact CZ-CD2 3.42Å; F90-A179 HydrophobicContact CD2-CB 3.61Å; F90-A179 HydrophobicContact CE2-CB 3.81Å; F90-Y202 HydrophobicContact CB-CE1 4.14Å
91A94.7Very high93.3Very high9 Ų937 Ų377%0.07421%0.213CC..Hα-helixtrans-67.2-36.3179.900000114.1V87 K89 A93 T94 G95 A96 T98V87-A91 WeakPolarHBondContact O-CB 3.47Å; V87-A91 PolarHBondContact O-N 3.01Å; K89-A91 PolarHBondContact O-N 3.31Å; A91-A93 PolarHBondContact O-N 3.24Å; A91-T94 PolarHBondContact O-N 3.47Å; A91-G95 VanDerWaalsContact O-CA 3.27Å; A91-G95 WeakPolarHBondContact O-CA 3.23Å; A91-G95 PolarHBondContact O-N 3.01Å; A91-A96 HydrophobicContact CB-CB 4.3Å; A91-A96 VanDerWaalsContact CB-O 3.26Å; A91-A96 WeakPolarHBondContact CB-O 3.3Å; A91-A96 PolarHBondContact O-N 3.33Å; A91-T98 HydrophobicContact CB-CG2 3.01Å
92S93.9Very high93.4Very high91 Ų9143.6 Ų43.664%0.63623%0.232SC*.Hα-helixtrans-61.1-32.1172.270.30000112.3L88 K89 F90L88-S92 PolarHBondContact O-N 2.97Å; K89-S92 WeakPolarHBondContact CA-OG 3.39Å; K89-S92 PolarHBondContact O-N 2.99Å; K89-S92 PolarHBondContact O-OG 3.38Å; F90-S92 PolarHBondContact O-N 3.38Å
93A94.1Very high93.6Very high31 Ų3144.1 Ų44.126%0.25623%0.234SC..Hα-helixtrans-80.4-39.9178.600000112.7K89 F90 A91 L183K89-A93 PolarHBondContact O-N 2.92Å; K89-A93 VanDerWaalsContact O-N 3.07Å; F90-A93 WeakPolarHBondContact O-CB 3.33Å; F90-A93 PolarHBondContact O-N 2.93Å; F90-A93 VanDerWaalsContact O-N 3.1Å; A91-A93 PolarHBondContact O-N 3.24Å; A93-L183 HydrophobicContact CB-CD1 4.38Å
94T93.3Very high93.7Very high5 Ų547.1 Ų47.13%0.03125%0.253CS..Hα-helixtrans-98-12.6-174.262.70000114.6P71 F90 A91 A96 A179 V182 R186P71-T94 WeakPolarHBondContact CB-O 3.39Å; F90-T94 HydrophobicContact CD2-CG2 4.36Å; F90-T94 HydrophobicContact CE1-CG2 4.14Å; F90-T94 WeakPolarHBondContact CE1-OG1 3.32Å; F90-T94 HydrophobicContact CE2-CG2 3.8Å; F90-T94 HydrophobicContact CZ-CG2 3.7Å; F90-T94 PolarHBondContact O-N 3.18Å; F90-T94 PolarHBondContact O-OG1 3.35Å; F90-T94 VanDerWaalsContact O-OG1 3.13Å; A91-T94 PolarHBondContact O-N 3.47Å; T94-A96 VanDerWaalsContact C-N 3.35Å; T94-A96 WeakPolarHBondContact OG1-CB 3.43Å; T94-A179 HydrophobicContact CG2-CB 4.38Å; T94-V182 HydrophobicContact CG2-CB 4.44Å; T94-V182 HydrophobicContact CG2-CG1 4.13Å; T94-R186 PolarHBondContact O-NH1 3.07Å
95G93.3Very high93.8Very high42 Ų4247 Ų4743%0.43326%0.257SS..THydrogen-bonded Turntrans74.521.5-171.600000114.1P71 A72 A91P71-G95 CarbonylContact C-O 3.58Å; A72-G95 WeakPolarHBondContact CA-O 3.45Å; A72-G95 PolarHBondContact N-O 2.71Å; A91-G95 VanDerWaalsContact O-CA 3.27Å; A91-G95 WeakPolarHBondContact O-CA 3.23Å; A91-G95 PolarHBondContact O-N 3.01Å
96A95.1Very high93.9Very high13 Ų1344.2 Ų44.211%0.10725%0.25CS..  trans-79159179.900000111.7P71 V74 V76 F90 A91 T94P71-A96 WeakPolarHBondContact O-CA 3.45Å; V74-A96 HydrophobicContact CB-CB 4.22Å; V74-A96 HydrophobicContact CG1-CB 4.36Å; V74-A96 WeakPolarHBondContact O-CB 3.47Å; V76-A96 HydrophobicContact CG2-CB 4Å; F90-A96 HydrophobicContact CE1-CB 4.34Å; A91-A96 HydrophobicContact CB-CB 4.3Å; A91-A96 VanDerWaalsContact CB-O 3.26Å; A91-A96 WeakPolarHBondContact CB-O 3.3Å; A91-A96 PolarHBondContact O-N 3.33Å; T94-A96 VanDerWaalsContact C-N 3.35Å; T94-A96 WeakPolarHBondContact OG1-CB 3.43Å
97T94.7Very high93.9Very high41 Ų4144.2 Ų44.225%0.25225%0.25SS..EExtended strand (participates in β ladder)trans-84.9145.417149.10000110.6A72 V74 C75 V76A72-T97 HydrophobicContact CB-CG2 4.45Å; A72-T97 WeakPolarHBondContact O-CG2 3.49Å; A72-T97 PolarHBondContact O-OG1 3.04Å; V74-T97 PolarHBondContact O-N 3.46Å; V74-T97 PolarHBondContact O-OG1 3.46Å; V74-T97 VanDerWaalsContact O-OG1 3.07Å; C75-T97 CarbonylContact C-O 3.57Å; C75-T97 WeakPolarHBondContact CA-O 3.37Å; V76-T97 PolarHBondContact N-O 3.01Å
98T94.9Very high93.9Very high36 Ų3644.4 Ų44.422%0.22125%0.251CS..EExtended strand (participates in β ladder)trans-128.6143.3-176.555.60000113.7V76 V87 A91 H100V76-T98 HydrophobicContact CB-CG2 4.33Å; V76-T98 CarbonylContact O-C 3.52Å; V76-T98 VanDerWaalsContact O-CA 3.3Å; V76-T98 WeakPolarHBondContact O-CA 3.41Å; V87-T98 HydrophobicContact CG1-CG2 3.48Å; V87-T98 VanDerWaalsContact CG1-CG2 3.48Å; A91-T98 HydrophobicContact CB-CG2 3.01Å; T98-H100 PolarHBondContact OG1-CD2 3.07Å
99F92.5Very high93.9Very high43 Ų4343.8 Ų43.819%0.18925%0.25CS..EExtended strand (participates in β ladder)trans-117.6112.7159.5-63.9-90.6000109.2C75 V76 I77 S78 T107 F108 R117C75-F99 WeakPolarHBondContact SG-CD2 3.27Å; C75-F99 VanDerWaalsContact SG-CE2 3.54Å; V76-F99 PolarHBondContact O-N 3.14Å; I77-F99 WeakPolarHBondContact CA-O 3.35Å; I77-F99 HydrophobicContact CD1-CB 4.44Å; I77-F99 HydrophobicContact CD1-CD2 4.17Å; I77-F99 HydrophobicContact CG1-CB 4.15Å; I77-F99 HydrophobicContact CG1-CD2 4.19Å; I77-F99 HydrophobicContact CG2-CB 4.36Å; S78-F99 PolarHBondContact N-O 3.27Å; S78-F99 VanDerWaalsContact N-O 3.14Å; F99-T107 HydrophobicContact CE1-CG2 3.7Å; F99-T107 HydrophobicContact CE2-CG2 4.13Å; F99-T107 HydrophobicContact CZ-CG2 3.42Å; F99-T107 VanDerWaalsContact CZ-CG2 3.42Å; F99-F108 HydrophobicContact CE2-CE1 4.48Å; F99-R117 HydrophobicContact CE2-CB 4.44Å; F99-R117 HydrophobicContact CE2-CG 4.17Å; F99-R117 HydrophobicContact CZ-CB 4.22Å; F99-R117 HydrophobicContact CZ-CG 3.67Å
100H91.3Very high93.9Very high94 Ų9443 Ų4344%0.43525%0.25SC..EExtended strand (participates in β ladder)trans-109.5128.8177.836.470.5000109.3Q84 L88 T98Q84-H100 HydrophobicContact CB-CB 4.34Å; Q84-H100 HydrophobicContact CG-CB 4.3Å; L88-H100 WeakPolarHBondContact CD2-CD2 3.21Å; L88-H100 WeakPolarHBondContact CD2-NE2 3.04Å; L88-H100 HydrophobicContact CG-CB 4.5Å; T98-H100 PolarHBondContact OG1-CD2 3.07Å
101G90.8Very high93.8Very high14 Ų1450.2 Ų50.214%0.14428%0.284CS..SBendtrans88.6-150-17800000112.7S78 S79 F103S78-G101 PolarHBondContact O-N 3.41Å; S79-G101 VanDerWaalsContact CA-O 3.26Å; S79-G101 WeakPolarHBondContact CA-O 3.45Å; G101-F103 PolarHBondContact O-N 2.92Å; G101-F103 VanDerWaalsContact O-N 3.11Å
102R92.4Very high93.8Very high204 Ų20457.4 Ų57.477%0.7732%0.319SS*.SBendtrans-62.3118.2-172.5-174.7178.1-177.1-79.40.8110.7
103F93.9Very high93.7Very high16 Ų1655.7 Ų55.77%0.0730%0.301CS..PPolyproline II helixtrans-71.2131172.5-175.1-103.1000110.2I77 G101 P105 T107 F108 Q132 P133I77-F103 HydrophobicContact CD1-CD2 3.84Å; I77-F103 HydrophobicContact CD1-CE2 3.62Å; I77-F103 HydrophobicContact CG2-CD2 4.42Å; G101-F103 PolarHBondContact O-N 2.92Å; G101-F103 VanDerWaalsContact O-N 3.11Å; F103-P105 WeakPolarHBondContact O-CD 3.38Å; F103-T107 HydrophobicContact CE2-CG2 4.05Å; F103-T107 HydrophobicContact CZ-CG2 4.27Å; F103-F108 HydrophobicContact CE2-CE1 4.44Å; F103-F108 HydrophobicContact CE2-CE2 4.25Å; F103-F108 HydrophobicContact CE2-CZ 4.08Å; F103-F108 HydrophobicContact CZ-CD2 4.12Å; F103-F108 AromaticContact CZ-CE2 3.91Å; F103-F108 HydrophobicContact CZ-CE2 3.91Å; F103-F108 HydrophobicContact CZ-CZ 4.16Å; F103-Q132 HydrophobicContact CD1-CB 4.14Å; F103-Q132 HydrophobicContact CD1-CG 3.66Å; F103-Q132 HydrophobicContact CE1-CG 4.01Å; F103-P133 HydrophobicContact CD1-CB 4.36Å; F103-P133 HydrophobicContact CD2-CB 4.31Å; F103-P133 HydrophobicContact CE1-CB 4.06Å; F103-P133 HydrophobicContact CE2-CB 4.03Å; F103-P133 HydrophobicContact CG-CB 4.45Å; F103-P133 HydrophobicContact CZ-CB 3.88Å
104T93.4Very high93.5Very high63 Ų6359.2 Ų59.239%0.38733%0.33SS..PPolyproline II helixtrans-83118.8177-59.50000108.8G106 T107T104-G106 PolarHBondContact O-N 3.32Å; T104-T107 WeakPolarHBondContact O-CB 3.47Å; T104-T107 PolarHBondContact O-N 3.1Å; T104-T107 PolarHBondContact O-OG1 3.03Å
105P94.3Very high93.4Very high60 Ų6060.8 Ų60.839%0.3934%0.344SS..THydrogen-bonded Turntrans-61.4138.3177.5-23.134.8000111.5F103 Q113 Q132 E136F103-P105 WeakPolarHBondContact O-CD 3.38Å; P105-Q113 PolarHBondContact O-NE2 3.3Å; P105-Q132 HydrophobicContact CG-CG 4.46Å; P105-E136 VanDerWaalsContact CA-OE1 3.32Å; P105-E136 WeakPolarHBondContact CA-OE1 3.41Å
106G94Very high93.4Very high10 Ų1060.8 Ų60.810%0.10333%0.332CS..THydrogen-bonded Turntrans88.26.3-176.200000114.4T104 F108 T109 N110 Q113 E136T104-G106 PolarHBondContact O-N 3.32Å; G106-F108 PolarHBondContact O-N 3.47Å; G106-T109 WeakPolarHBondContact CA-OG1 3.39Å; G106-T109 PolarHBondContact O-N 3.03Å; G106-N110 VanDerWaalsContact O-CB 3.25Å; G106-N110 WeakPolarHBondContact O-CB 3.28Å; G106-N110 PolarHBondContact O-N 3.03Å; G106-Q113 PolarHBondContact O-OE1 3.13Å; G106-E136 WeakPolarHBondContact CA-OE2 3.44Å; G106-E136 VanDerWaalsContact N-CD 3.31Å; G106-E136 PolarHBondContact N-OE1 3.03Å; G106-E136 PolarHBondContact N-OE2 3.46Å
107T94.6Very high93.2Very high0 Ų065.8 Ų65.80%035%0.348CS..THydrogen-bonded Turntrans-58.4-33.5179.1-66.10000112F99 F103 T104 A115 F116 R117 E136F99-T107 HydrophobicContact CE1-CG2 3.7Å; F99-T107 HydrophobicContact CE2-CG2 4.13Å; F99-T107 HydrophobicContact CZ-CG2 3.42Å; F99-T107 VanDerWaalsContact CZ-CG2 3.42Å; F103-T107 HydrophobicContact CE2-CG2 4.05Å; F103-T107 HydrophobicContact CZ-CG2 4.27Å; T104-T107 WeakPolarHBondContact O-CB 3.47Å; T104-T107 PolarHBondContact O-N 3.1Å; T104-T107 PolarHBondContact O-OG1 3.03Å; T107-A115 WeakPolarHBondContact CG2-O 3.31Å; T107-F116 WeakPolarHBondContact O-CA 3.4Å; T107-F116 WeakPolarHBondContact O-CD2 3.43Å; T107-R117 PolarHBondContact O-N 3.24Å; T107-R117 VanDerWaalsContact O-N 3.16Å; T107-E136 PolarHBondContact N-OE2 3.07Å
108F95.2Very high93.1Very high3 Ų369.7 Ų69.71%0.01336%0.363CS..THydrogen-bonded Turntrans-96.7-18179.3-58.1-33.1000114.1I77 F99 F103 G106 F116 R117 P119 L122 P133 E136 V140 I142I77-F108 HydrophobicContact CD1-CE2 4.31Å; I77-F108 HydrophobicContact CD1-CZ 3.75Å; F99-F108 HydrophobicContact CE2-CE1 4.48Å; F103-F108 HydrophobicContact CE2-CE1 4.44Å; F103-F108 HydrophobicContact CE2-CE2 4.25Å; F103-F108 HydrophobicContact CE2-CZ 4.08Å; F103-F108 HydrophobicContact CZ-CD2 4.12Å; F103-F108 AromaticContact CZ-CE2 3.91Å; F103-F108 HydrophobicContact CZ-CE2 3.91Å; F103-F108 HydrophobicContact CZ-CZ 4.16Å; G106-F108 PolarHBondContact O-N 3.47Å; F108-F116 WeakPolarHBondContact O-CE2 3.43Å; F108-R117 WeakPolarHBondContact CD1-O 3.31Å; F108-P119 HydrophobicContact CD1-CG 4.11Å; F108-P119 HydrophobicContact CE1-CG 3.58Å; F108-P119 HydrophobicContact CZ-CG 3.96Å; F108-L122 HydrophobicContact CE2-CD1 3.45Å; F108-L122 VanDerWaalsContact CE2-CD1 3.45Å; F108-L122 HydrophobicContact CZ-CD1 3.37Å; F108-P133 HydrophobicContact CE2-CB 3.99Å; F108-E136 HydrophobicContact CB-CB 4.2Å; F108-E136 HydrophobicContact CD2-CB 3.75Å; F108-E136 HydrophobicContact CG-CB 4.42Å; F108-E136 PolarHBondContact N-OE2 3.33Å; F108-V140 HydrophobicContact CB-CG2 4.43Å; F108-I142 HydrophobicContact CD2-CD1 4.44Å; F108-I142 HydrophobicContact CG-CD1 4.38Å
109T94.9Very high93.1Very high67 Ų6768.3 Ų68.341%0.41136%0.355SS..THydrogen-bonded Turntrans-110-26.5-172.457.30000113.8G106 Y139 V140G106-T109 WeakPolarHBondContact CA-OG1 3.39Å; G106-T109 PolarHBondContact O-N 3.03Å; T109-Y139 HydrophobicContact CG2-CD2 3.96Å; T109-Y139 HydrophobicContact CG2-CG 4.41Å; T109-V140 HydrophobicContact CG2-CG2 4.06Å
110N94.8Very high93.3Very high61 Ų6173.8 Ų73.833%0.32638%0.375SS..  trans-100.1101.6-173.9-173.1-4.5000112.1G106 I112 Q113 F116G106-N110 VanDerWaalsContact O-CB 3.25Å; G106-N110 WeakPolarHBondContact O-CB 3.28Å; G106-N110 PolarHBondContact O-N 3.03Å; N110-I112 PolarHBondContact O-N 3.14Å; N110-I112 WeakPolarHBondContact OD1-CB 3.11Å; N110-I112 PolarHBondContact OD1-N 3.22Å; N110-Q113 HydrophobicContact CB-CG 4.08Å; N110-Q113 PolarHBondContact O-N 3.1Å; N110-F116 WeakPolarHBondContact O-CD2 3.3Å
111Q93.4Very high93.6Very high151 Ų15169.7 Ų69.771%0.70636%0.356SS*.THydrogen-bonded Turntrans-66.2-16.3-179.4-64.4174.42.600114.4F116Q111-F116 HydrophobicContact CB-CZ 4.47Å; Q111-F116 HydrophobicContact CG-CE1 4.03Å; Q111-F116 HydrophobicContact CG-CE2 3.96Å; Q111-F116 HydrophobicContact CG-CZ 3.63Å
112I94.5Very high93.8Very high161 Ų16169 Ų6983%0.82635%0.349SS*.THydrogen-bonded Turntrans-81.1-21.7-179-57.4174.3000111.1N110N110-I112 PolarHBondContact O-N 3.14Å; N110-I112 WeakPolarHBondContact OD1-CB 3.11Å; N110-I112 PolarHBondContact OD1-N 3.22Å
113Q92.1Very high94.1Very high54 Ų5459.3 Ų59.325%0.25231%0.313SS..SBendtrans-71.2138.5-178.3-70.7-178-6.300111.7P105 G106 N110 A115 F116P105-Q113 PolarHBondContact O-NE2 3.3Å; G106-Q113 PolarHBondContact O-OE1 3.13Å; N110-Q113 HydrophobicContact CB-CG 4.08Å; N110-Q113 PolarHBondContact O-N 3.1Å; Q113-A115 PolarHBondContact O-N 2.87Å; Q113-F116 WeakPolarHBondContact O-CB 2.94Å; Q113-F116 PolarHBondContact O-N 2.81Å
114A90.9Very high94.2Very high105 Ų10558.6 Ų58.687%0.86831%0.309SS*.THydrogen-bonded Turntrans-62.3-29.3174.500000113.1F116 R117A114-F116 PolarHBondContact O-N 2.81Å; A114-R117 PolarHBondContact O-NH1 2.95Å
115A89.4Confident94.2Very high39 Ų3955.7 Ų55.732%0.32229%0.292SS..THydrogen-bonded Turntrans-84.47.7177.800000113.4T107 Q113 R117T107-A115 WeakPolarHBondContact CG2-O 3.31Å; Q113-A115 PolarHBondContact O-N 2.87Å; A115-R117 PolarHBondContact O-N 2.78Å
116F93.6Very high94.2Very high42 Ų4253.5 Ų53.518%0.18428%0.277CS..  trans-58.1129.3-179.7-179.7-110.4000111.6T107 F108 N110 Q111 Q113 A114 E118T107-F116 WeakPolarHBondContact O-CA 3.4Å; T107-F116 WeakPolarHBondContact O-CD2 3.43Å; F108-F116 WeakPolarHBondContact O-CE2 3.43Å; N110-F116 WeakPolarHBondContact O-CD2 3.3Å; Q111-F116 HydrophobicContact CB-CZ 4.47Å; Q111-F116 HydrophobicContact CG-CE1 4.03Å; Q111-F116 HydrophobicContact CG-CE2 3.96Å; Q111-F116 HydrophobicContact CG-CZ 3.63Å; Q113-F116 WeakPolarHBondContact O-CB 2.94Å; Q113-F116 PolarHBondContact O-N 2.81Å; A114-F116 PolarHBondContact O-N 2.81Å; F116-E118 HydrophobicContact CD1-CG 4.49Å; F116-E118 HydrophobicContact CE1-CG 3.51Å; F116-E118 WeakPolarHBondContact CE1-OE1 3.37Å; F116-E118 HydrophobicContact CE2-CG 4.27Å; F116-E118 HydrophobicContact CZ-CG 3.38Å; F116-E118 WeakPolarHBondContact CZ-OE1 3.3Å
117R92.1Very high94.2Very high117 Ų11753.2 Ų53.244%0.44227%0.273SS..  trans-140143.7176.9-64.3-63.7179.9-93.11.4109.6F99 T107 F108 A114 A115 P119F99-R117 HydrophobicContact CE2-CB 4.44Å; F99-R117 HydrophobicContact CE2-CG 4.17Å; F99-R117 HydrophobicContact CZ-CB 4.22Å; F99-R117 HydrophobicContact CZ-CG 3.67Å; T107-R117 PolarHBondContact O-N 3.24Å; T107-R117 VanDerWaalsContact O-N 3.16Å; F108-R117 WeakPolarHBondContact CD1-O 3.31Å; A114-R117 PolarHBondContact O-NH1 2.95Å; A115-R117 PolarHBondContact O-N 2.78Å; R117-P119 VanDerWaalsContact C-CD 3.45Å; R117-P119 VanDerWaalsContact O-CD 3.27Å; R117-P119 WeakPolarHBondContact O-CD 3.49Å
118E93.1Very high94.2Very high123 Ų12360.3 Ų60.358%0.57530%0.3SS*.  trans-118.275.5176.9-64.8-178.1157.200109.8F116F116-E118 HydrophobicContact CD1-CG 4.49Å; F116-E118 HydrophobicContact CE1-CG 3.51Å; F116-E118 WeakPolarHBondContact CE1-OE1 3.37Å; F116-E118 HydrophobicContact CE2-CG 4.27Å; F116-E118 HydrophobicContact CZ-CG 3.38Å; F116-E118 WeakPolarHBondContact CZ-OE1 3.3Å
119P94.9Very high94.1Very high7 Ų762 Ų625%0.04531%0.314CS..  trans-73.7144.6-179.828.9-30.6000111.4D73 C75 F108 R117 I142D73-P119 CarbonylContact O-C 3.44Å; D73-P119 WeakPolarHBondContact O-CA 3.32Å; D73-P119 VanDerWaalsContact O-CB 3.25Å; D73-P119 WeakPolarHBondContact O-CB 3.47Å; C75-P119 HydrophobicContact CB-CB 3.29Å; C75-P119 HydrophobicContact CB-CG 3.54Å; F108-P119 HydrophobicContact CD1-CG 4.11Å; F108-P119 HydrophobicContact CE1-CG 3.58Å; F108-P119 HydrophobicContact CZ-CG 3.96Å; R117-P119 VanDerWaalsContact C-CD 3.45Å; R117-P119 VanDerWaalsContact O-CD 3.27Å; R117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-I142 HydrophobicContact CG-CD1 4.06Å; P119-I142 WeakPolarHBondContact O-CD1 3.26Å; P119-I142 WeakPolarHBondContact O-CG1 3.48Å; P119-I142 WeakPolarHBondContact O-CG2 3.46Å
120R95.8Very high94Very high158 Ų15858.9 Ų58.960%0.59630%0.295SS*.SBendtrans-83.1-16.7174.6-64.8-172.169.8168.61.5112.8I68 D73 P143I68-R120 HydrophobicContact CD1-CB 4.43Å; D73-R120 HydrophobicContact CB-CB 4.31Å; D73-R120 HydrophobicContact CB-CG 4.1Å; D73-R120 PolarHBondContact O-N 2.84Å; R120-P143 WeakPolarHBondContact O-CD 3.35Å; R120-P143 WeakPolarHBondContact O-CG 3.27Å
121L96.7Very high94Very high8 Ų861 Ų614%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-150.2137.2175.5-176.9153.3000110.2A64 I65 I68 V74 C75 I123 I145A64-L121 HydrophobicContact CB-CD1 4.12Å; I65-L121 HydrophobicContact CG1-CD1 4.43Å; I65-L121 HydrophobicContact CG1-CD2 4.13Å; I68-L121 HydrophobicContact CD1-CB 3.3Å; I68-L121 HydrophobicContact CD1-CD1 3.79Å; I68-L121 HydrophobicContact CD1-CG 4.14Å; V74-L121 HydrophobicContact CG1-CD2 3.9Å; C75-L121 PolarHBondContact N-O 2.99Å; L121-I123 HydrophobicContact CD2-CD1 4.03Å; L121-I123 HydrophobicContact CD2-CG1 3.43Å; L121-I123 VanDerWaalsContact CD2-CG1 3.43Å; L121-I145 HydrophobicContact CD1-CD1 4.1Å; L121-I145 HydrophobicContact CD2-CD1 4.05Å; L121-I145 HydrophobicContact CD2-CG1 4.28Å; L121-I145 HydrophobicContact CG-CD1 4.44Å
122L96.8Very high94.1Very high0 Ų057.1 Ų57.10%029%0.285CS..EExtended strand (participates in β ladder)trans-108.7133.6179.4-169.894.9000109.9C75 I77 F108 V124 P133 L134 A137 I142 P143 T144 I145C75-L122 CarbonylContact O-C 3.55Å; C75-L122 WeakPolarHBondContact O-CA 3.42Å; I77-L122 HydrophobicContact CD1-CD1 3.76Å; I77-L122 HydrophobicContact CG1-CD1 4.3Å; F108-L122 HydrophobicContact CE2-CD1 3.45Å; F108-L122 VanDerWaalsContact CE2-CD1 3.45Å; F108-L122 HydrophobicContact CZ-CD1 3.37Å; L122-V124 HydrophobicContact CD2-CG2 3.32Å; L122-V124 HydrophobicContact CG-CG2 3.87Å; L122-P133 HydrophobicContact CD1-CB 4.46Å; L122-L134 HydrophobicContact CD2-CD2 3.96Å; L122-A137 HydrophobicContact CD2-CB 4.35Å; L122-I142 HydrophobicContact CB-CG2 4.04Å; L122-P143 PolarHBondContact N-O 2.83Å; L122-T144 HydrophobicContact CB-CG2 3.96Å; L122-T144 HydrophobicContact CD2-CG2 3.62Å; L122-T144 HydrophobicContact CG-CG2 4.45Å; L122-T144 CarbonylContact O-C 3.54Å; L122-T144 WeakPolarHBondContact O-CA 3.38Å; L122-I145 PolarHBondContact O-N 2.88Å
123I96.9Very high94.2Very high1 Ų149.5 Ų49.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-120.5128.9169.2-41.7175.8000109.4I65 V74 C75 V76 I77 F90 L121 I145 W175I65-I123 HydrophobicContact CD1-CD1 3.41Å; I65-I123 VanDerWaalsContact CD1-CD1 3.41Å; I65-I123 HydrophobicContact CG1-CD1 3.91Å; V74-I123 HydrophobicContact CG1-CD1 3.95Å; V74-I123 HydrophobicContact CG1-CG1 4.26Å; C75-I123 PolarHBondContact O-N 3.48Å; V76-I123 WeakPolarHBondContact CA-O 3.41Å; V76-I123 HydrophobicContact CG1-CB 4.44Å; V76-I123 HydrophobicContact CG2-CB 4.42Å; V76-I123 HydrophobicContact CG2-CD1 4.18Å; V76-I123 HydrophobicContact CG2-CG1 4.5Å; I77-I123 PolarHBondContact N-O 3.12Å; F90-I123 HydrophobicContact CE1-CD1 4.33Å; F90-I123 HydrophobicContact CZ-CD1 4.4Å; L121-I123 HydrophobicContact CD2-CD1 4.03Å; L121-I123 HydrophobicContact CD2-CG1 3.43Å; L121-I123 VanDerWaalsContact CD2-CG1 3.43Å; I123-I145 CarbonylContact C-O 3.55Å; I123-I145 VanDerWaalsContact CA-O 3.3Å; I123-I145 WeakPolarHBondContact CA-O 3.39Å; I123-I145 HydrophobicContact CG1-CB 4.48Å; I123-I145 HydrophobicContact CG2-CB 4.21Å; I123-I145 HydrophobicContact CG2-CG2 4.34Å; I123-W175 HydrophobicContact CB-CH2 3.88Å; I123-W175 HydrophobicContact CB-CZ3 4.37Å; I123-W175 HydrophobicContact CD1-CZ3 4.48Å; I123-W175 HydrophobicContact CG2-CH2 3.33Å; I123-W175 HydrophobicContact CG2-CZ2 4.3Å; I123-W175 HydrophobicContact CG2-CZ3 3.84Å
124V95.9Very high94.4Very high0 Ų047.2 Ų47.20%024%0.235CC..EExtended strand (participates in β ladder)trans-123.8139.9-172.1171.60000111.2L122 D130 L134 I145 A146 L147L122-V124 HydrophobicContact CD2-CG2 3.32Å; L122-V124 HydrophobicContact CG-CG2 3.87Å; V124-D130 HydrophobicContact CG1-CB 3.3Å; V124-D130 WeakPolarHBondContact CG1-OD2 3.16Å; V124-L134 HydrophobicContact CG2-CD2 4.07Å; V124-L134 HydrophobicContact CG2-CG 4.49Å; V124-I145 PolarHBondContact N-O 3.17Å; V124-A146 HydrophobicContact CB-CB 4.36Å; V124-A146 WeakPolarHBondContact O-CA 3.2Å; V124-L147 PolarHBondContact O-N 3.38Å
125T94.9Very high94.6Very high3 Ų344.3 Ų44.32%0.01821%0.207CC..SBendtrans-79.3-36.9179.253.30000115.6I77 S78 V87 D130 L147 W175I77-T125 PolarHBondContact O-N 3.27Å; S78-T125 WeakPolarHBondContact CA-OG1 3.23Å; S78-T125 WeakPolarHBondContact CB-OG1 3.46Å; S78-T125 PolarHBondContact OG-OG1 3.49Å; V87-T125 HydrophobicContact CG2-CG2 4.1Å; T125-D130 PolarHBondContact N-OD2 3.29Å; T125-D130 PolarHBondContact OG1-OD2 2.88Å; T125-L147 WeakPolarHBondContact O-CB 3.45Å; T125-L147 VanDerWaalsContact O-O 3.1Å; T125-W175 HydrophobicContact CG2-CZ2 3.48Å; T125-W175 VanDerWaalsContact CG2-CZ2 3.48Å; T125-W175 VanDerWaalsContact CG2-NE1 3.33Å
126D93.8Very high94.9Very high14 Ų1442.7 Ų42.78%0.07519%0.193CC..  trans-152.2113.4-180-174.3-8.8000109R80 R128 A129 D130 N165R80-D126 IonicContact NH1-OD2 2.93Å; R80-D126 PolarHBondContact NH1-OD2 3.3Å; R80-D126 VanDerWaalsContact NH1-OD2 3.07Å; D126-R128 PolarHBondContact O-N 3.2Å; D126-R128 PolarHBondContact OD1-N 3.24Å; D126-R128 VanDerWaalsContact OD1-N 3.1Å; D126-A129 HydrophobicContact CB-CB 4.21Å; D126-A129 PolarHBondContact O-N 2.89Å; D126-D130 PolarHBondContact N-OD2 3.28Å; D126-D130 VanDerWaalsContact N-OD2 3.12Å; D126-D130 VanDerWaalsContact O-CB 3.26Å; D126-D130 WeakPolarHBondContact O-CB 3.45Å; D126-D130 PolarHBondContact O-N 2.93Å; D126-N165 PolarHBondContact OD1-ND2 3.07Å; D126-N165 VanDerWaalsContact OD1-ND2 3.13Å; D126-N165 PolarHBondContact OD2-ND2 2.9Å
127P94.6Very high95Very high4 Ų440.8 Ų40.83%0.02619%0.185CC..THydrogen-bonded Turntrans-63.7-18.1-17727.9-36.6000113.3H131 L134 V157P127-H131 PolarHBondContact O-N 3.5Å; P127-L134 HydrophobicContact CB-CD1 3.58Å; P127-V157 HydrophobicContact CB-CG2 4.38Å
128R93.3Very high95.2Very high148 Ų14837.5 Ų37.556%0.55818%0.179SC*.THydrogen-bonded Turntrans-77-47175.6-64-17274.3-167.30.3111.7D126 H131 D151 P153D126-R128 PolarHBondContact O-N 3.2Å; D126-R128 PolarHBondContact OD1-N 3.24Å; D126-R128 VanDerWaalsContact OD1-N 3.1Å; R128-H131 PolarHBondContact O-ND1 2.64Å; R128-D151 IonicContact NH1-OD2 3.58Å; R128-P153 VanDerWaalsContact CG-CD 3.5Å; R128-P153 HydrophobicContact CG-CG 4.25Å
129A92.9Very high95.3Very high39 Ų3939.5 Ų39.532%0.32218%0.183SC..THydrogen-bonded Turntrans-73.4-42.3179.100000111D126 H131D126-A129 HydrophobicContact CB-CB 4.21Å; D126-A129 PolarHBondContact O-N 2.89Å; A129-H131 PolarHBondContact O-N 2.99Å
130D94.3Very high95.3Very high2 Ų241.9 Ų41.91%0.01120%0.197CC..THydrogen-bonded Turntrans-97.936.8-174.4-55.2-42.7000111.8S79 V124 T125 D126 Q132 P133S79-D130 WeakPolarHBondContact CA-OD1 3.45Å; S79-D130 WeakPolarHBondContact CB-OD1 3.46Å; S79-D130 PolarHBondContact N-OD1 3.05Å; S79-D130 PolarHBondContact OG-OD1 3.16Å; V124-D130 HydrophobicContact CG1-CB 3.3Å; V124-D130 WeakPolarHBondContact CG1-OD2 3.16Å; T125-D130 PolarHBondContact N-OD2 3.29Å; T125-D130 PolarHBondContact OG1-OD2 2.88Å; D126-D130 PolarHBondContact N-OD2 3.28Å; D126-D130 VanDerWaalsContact N-OD2 3.12Å; D126-D130 VanDerWaalsContact O-CB 3.26Å; D126-D130 WeakPolarHBondContact O-CB 3.45Å; D126-D130 PolarHBondContact O-N 2.93Å; D130-Q132 VanDerWaalsContact C-N 3.29Å; D130-Q132 PolarHBondContact O-N 3.37Å; D130-P133 HydrophobicContact CB-CG 4.04Å; D130-P133 WeakPolarHBondContact O-CD 3.33Å; D130-P133 WeakPolarHBondContact O-CG 3.24Å
131H94.5Very high95.2Very high106 Ų10641.3 Ų41.349%0.49121%0.206SC..Hα-helixtrans-67.9-29.9-179.662.2-84.5000112.6P127 R128 A129 L134 T135P127-H131 PolarHBondContact O-N 3.5Å; R128-H131 PolarHBondContact O-ND1 2.64Å; A129-H131 PolarHBondContact O-N 2.99Å; H131-L134 WeakPolarHBondContact O-CB 3.49Å; H131-L134 PolarHBondContact O-N 3.04Å; H131-T135 WeakPolarHBondContact O-CG2 3.44Å; H131-T135 PolarHBondContact O-N 3.36Å
132Q95.6Very high95.2Very high68 Ų6841.6 Ų41.632%0.31821%0.207SC..Hα-helixtrans-58.4-55.4179.3-17464.637.100112.8F103 P105 D130 L134 T135 E136F103-Q132 HydrophobicContact CD1-CB 4.14Å; F103-Q132 HydrophobicContact CD1-CG 3.66Å; F103-Q132 HydrophobicContact CE1-CG 4.01Å; P105-Q132 HydrophobicContact CG-CG 4.46Å; D130-Q132 VanDerWaalsContact C-N 3.29Å; D130-Q132 PolarHBondContact O-N 3.37Å; Q132-L134 PolarHBondContact O-N 3.35Å; Q132-T135 PolarHBondContact O-N 3.09Å; Q132-T135 VanDerWaalsContact O-N 3.15Å; Q132-T135 PolarHBondContact O-OG1 3.32Å; Q132-E136 PolarHBondContact NE2-OE1 3.41Å; Q132-E136 PolarHBondContact O-N 3.36Å; Q132-E136 VanDerWaalsContact O-N 3.08Å
133P96Very high95.2Very high1 Ų144.5 Ų44.51%0.00623%0.226CC..Hα-helixtrans-63.1-28.6176.724.8-35.7000113.2I77 F103 F108 L122 D130 E136 A137I77-P133 HydrophobicContact CD1-CB 3.64Å; I77-P133 HydrophobicContact CD1-CG 4.17Å; I77-P133 HydrophobicContact CG2-CG 4.19Å; F103-P133 HydrophobicContact CD1-CB 4.36Å; F103-P133 HydrophobicContact CD2-CB 4.31Å; F103-P133 HydrophobicContact CE1-CB 4.06Å; F103-P133 HydrophobicContact CE2-CB 4.03Å; F103-P133 HydrophobicContact CG-CB 4.45Å; F103-P133 HydrophobicContact CZ-CB 3.88Å; F108-P133 HydrophobicContact CE2-CB 3.99Å; L122-P133 HydrophobicContact CD1-CB 4.46Å; D130-P133 HydrophobicContact CB-CG 4.04Å; D130-P133 WeakPolarHBondContact O-CD 3.33Å; D130-P133 WeakPolarHBondContact O-CG 3.24Å; P133-E136 PolarHBondContact O-N 2.94Å; P133-A137 VanDerWaalsContact O-CB 3.31Å; P133-A137 WeakPolarHBondContact O-CB 3.09Å; P133-A137 PolarHBondContact O-N 3.13Å
134L96Very high95.2Very high7 Ų744.6 Ų44.64%0.03723%0.227CC..Hα-helixtrans-66.3-40.3173.9-67.3175.7000112.1L122 V124 P127 H131 Q132 S138 T144 V157L122-L134 HydrophobicContact CD2-CD2 3.96Å; V124-L134 HydrophobicContact CG2-CD2 4.07Å; V124-L134 HydrophobicContact CG2-CG 4.49Å; P127-L134 HydrophobicContact CB-CD1 3.58Å; H131-L134 WeakPolarHBondContact O-CB 3.49Å; H131-L134 PolarHBondContact O-N 3.04Å; Q132-L134 PolarHBondContact O-N 3.35Å; L134-S138 PolarHBondContact O-N 3.05Å; L134-T144 HydrophobicContact CD2-CG2 4.07Å; L134-V157 HydrophobicContact CD1-CG2 4.27Å; L134-V157 HydrophobicContact CD2-CG2 4.39Å
135T95.7Very high95.3Very high44 Ų4444.7 Ų44.727%0.2723%0.227SC..Hα-helixtrans-65.7-40.7174.4580000111.6H131 Q132 S138H131-T135 WeakPolarHBondContact O-CG2 3.44Å; H131-T135 PolarHBondContact O-N 3.36Å; Q132-T135 PolarHBondContact O-N 3.09Å; Q132-T135 VanDerWaalsContact O-N 3.15Å; Q132-T135 PolarHBondContact O-OG1 3.32Å; T135-S138 WeakPolarHBondContact O-CB 3.14Å; T135-S138 PolarHBondContact O-N 3.23Å; T135-S138 PolarHBondContact O-OG 3.48Å
136E95.9Very high95.4Very high5 Ų544.6 Ų44.62%0.02323%0.227CC..Hα-helixtrans-70-35.6178.5-72.6-177.4-147.200113.1P105 G106 T107 F108 Q132 P133 S138 Y139P105-E136 VanDerWaalsContact CA-OE1 3.32Å; P105-E136 WeakPolarHBondContact CA-OE1 3.41Å; G106-E136 WeakPolarHBondContact CA-OE2 3.44Å; G106-E136 VanDerWaalsContact N-CD 3.31Å; G106-E136 PolarHBondContact N-OE1 3.03Å; G106-E136 PolarHBondContact N-OE2 3.46Å; T107-E136 PolarHBondContact N-OE2 3.07Å; F108-E136 HydrophobicContact CB-CB 4.2Å; F108-E136 HydrophobicContact CD2-CB 3.75Å; F108-E136 HydrophobicContact CG-CB 4.42Å; F108-E136 PolarHBondContact N-OE2 3.33Å; Q132-E136 PolarHBondContact NE2-OE1 3.41Å; Q132-E136 PolarHBondContact O-N 3.36Å; Q132-E136 VanDerWaalsContact O-N 3.08Å; P133-E136 PolarHBondContact O-N 2.94Å; E136-S138 PolarHBondContact O-N 3.38Å; E136-Y139 PolarHBondContact O-N 3.43Å
137A96.2Very high95.5Very high2 Ų244 Ų442%0.01722%0.224CC..Hα-helixtrans-57-34.4173.200000112.2L122 P133 Y139 V140 N141 I142 T144L122-A137 HydrophobicContact CD2-CB 4.35Å; P133-A137 VanDerWaalsContact O-CB 3.31Å; P133-A137 WeakPolarHBondContact O-CB 3.09Å; P133-A137 PolarHBondContact O-N 3.13Å; A137-Y139 VanDerWaalsContact C-N 3.3Å; A137-Y139 PolarHBondContact O-N 3.05Å; A137-V140 PolarHBondContact O-N 3.38Å; A137-N141 PolarHBondContact O-N 3.34Å; A137-I142 HydrophobicContact CB-CB 4.09Å; A137-I142 PolarHBondContact O-N 3.18Å; A137-T144 HydrophobicContact CB-CG2 3.6Å
138S95.2Very high95.6Very high47 Ų4743.9 Ų43.933%0.32922%0.222SC..Hα-helixtrans-68.4-25.5177.479.10000114L134 T135 E136L134-S138 PolarHBondContact O-N 3.05Å; T135-S138 WeakPolarHBondContact O-CB 3.14Å; T135-S138 PolarHBondContact O-N 3.23Å; T135-S138 PolarHBondContact O-OG 3.48Å; E136-S138 PolarHBondContact O-N 3.38Å
139Y95.6Very high95.7Very high166 Ų16636.8 Ų36.865%0.65120%0.196SC*.Hα-helixtrans-76.4-27.7176.4-61.3-48.3000112.7T109 E136 A137T109-Y139 HydrophobicContact CG2-CD2 3.96Å; T109-Y139 HydrophobicContact CG2-CG 4.41Å; E136-Y139 PolarHBondContact O-N 3.43Å; A137-Y139 VanDerWaalsContact C-N 3.3Å; A137-Y139 PolarHBondContact O-N 3.05Å
140V94.6Very high95.8Very high57 Ų5735 Ų3535%0.34518%0.181SC..Hα-helixtrans-112.97.5-172.3-165.10000112.1F108 T109 A137 I142F108-V140 HydrophobicContact CB-CG2 4.43Å; T109-V140 HydrophobicContact CG2-CG2 4.06Å; A137-V140 PolarHBondContact O-N 3.38Å; V140-I142 VanDerWaalsContact C-N 3.35Å; V140-I142 HydrophobicContact CB-CD1 4.02Å; V140-I142 HydrophobicContact CB-CG1 4.08Å; V140-I142 HydrophobicContact CG1-CD1 4.27Å; V140-I142 HydrophobicContact CG1-CG1 4.31Å; V140-I142 PolarHBondContact O-N 3.4Å
141N94.9Very high95.8Very high146 Ų14636.3 Ų36.378%0.78119%0.188SC*.THydrogen-bonded Turntrans56.941.5179.7-55.2-57.7000114A137A137-N141 PolarHBondContact O-N 3.34Å
142I95.5Very high95.7Very high13 Ų1331.3 Ų31.37%0.06717%0.165CC..  trans-88.9124.2180-56.8169.8000108.8F108 P119 L122 A137 V140 T144F108-I142 HydrophobicContact CD2-CD1 4.44Å; F108-I142 HydrophobicContact CG-CD1 4.38Å; P119-I142 HydrophobicContact CG-CD1 4.06Å; P119-I142 WeakPolarHBondContact O-CD1 3.26Å; P119-I142 WeakPolarHBondContact O-CG1 3.48Å; P119-I142 WeakPolarHBondContact O-CG2 3.46Å; L122-I142 HydrophobicContact CB-CG2 4.04Å; A137-I142 HydrophobicContact CB-CB 4.09Å; A137-I142 PolarHBondContact O-N 3.18Å; V140-I142 VanDerWaalsContact C-N 3.35Å; V140-I142 HydrophobicContact CB-CD1 4.02Å; V140-I142 HydrophobicContact CB-CG1 4.08Å; V140-I142 HydrophobicContact CG1-CD1 4.27Å; V140-I142 HydrophobicContact CG1-CG1 4.31Å; V140-I142 PolarHBondContact O-N 3.4Å; I142-T144 WeakPolarHBondContact O-CG2 3.46Å
143P96.8Very high95.7Very high62 Ų6230.2 Ų30.240%0.40316%0.164SC..  trans-67.7137.4175.128-34.9000111R120 L122 D158R120-P143 WeakPolarHBondContact O-CD 3.35Å; R120-P143 WeakPolarHBondContact O-CG 3.27Å; L122-P143 PolarHBondContact N-O 2.83Å; P143-D158 WeakPolarHBondContact CA-OD2 3.36Å
144T96.9Very high95.6Very high2 Ų231.3 Ų31.31%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-121.9137.1-172.8790000113.3L122 L134 A137 I142 Y156 V157 D158 I159L122-T144 HydrophobicContact CB-CG2 3.96Å; L122-T144 HydrophobicContact CD2-CG2 3.62Å; L122-T144 HydrophobicContact CG-CG2 4.45Å; L122-T144 CarbonylContact O-C 3.54Å; L122-T144 WeakPolarHBondContact O-CA 3.38Å; L134-T144 HydrophobicContact CD2-CG2 4.07Å; A137-T144 HydrophobicContact CB-CG2 3.6Å; I142-T144 WeakPolarHBondContact O-CG2 3.46Å; T144-Y156 PolarHBondContact OG1-O 3.05Å; T144-V157 WeakPolarHBondContact OG1-CA 3.07Å; T144-D158 PolarHBondContact N-OD2 3.32Å; T144-D158 WeakPolarHBondContact O-CB 3.34Å; T144-D158 PolarHBondContact O-N 2.94Å; T144-I159 PolarHBondContact O-N 3.37Å; T144-I159 VanDerWaalsContact O-N 3.16Å
145I97.7Very high95.6Very high3 Ų340.3 Ų40.32%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-114.4131.1173.6-51.7-171.5000107.5A61 A64 I65 L121 L122 I123 V124 I159 I161A61-I145 HydrophobicContact CB-CD1 3.82Å; A61-I145 HydrophobicContact CB-CG2 3.84Å; A64-I145 HydrophobicContact CB-CD1 4.21Å; I65-I145 HydrophobicContact CG1-CD1 4.4Å; L121-I145 HydrophobicContact CD1-CD1 4.1Å; L121-I145 HydrophobicContact CD2-CD1 4.05Å; L121-I145 HydrophobicContact CD2-CG1 4.28Å; L121-I145 HydrophobicContact CG-CD1 4.44Å; L122-I145 PolarHBondContact O-N 2.88Å; I123-I145 CarbonylContact C-O 3.55Å; I123-I145 VanDerWaalsContact CA-O 3.3Å; I123-I145 WeakPolarHBondContact CA-O 3.39Å; I123-I145 HydrophobicContact CG1-CB 4.48Å; I123-I145 HydrophobicContact CG2-CB 4.21Å; I123-I145 HydrophobicContact CG2-CG2 4.34Å; V124-I145 PolarHBondContact N-O 3.17Å; I145-I159 WeakPolarHBondContact CA-O 3.42Å; I145-I159 HydrophobicContact CB-CB 4.43Å; I145-I159 HydrophobicContact CD1-CD1 3.96Å; I145-I159 HydrophobicContact CG1-CB 4.1Å; I145-I159 HydrophobicContact CG1-CD1 4.02Å; I145-I159 HydrophobicContact CG2-CB 4.17Å; I145-I159 HydrophobicContact CG2-CG2 4.19Å; I145-I161 HydrophobicContact CG2-CD1 3.98Å; I145-I161 HydrophobicContact CG2-CG1 4.27Å
146A97Very high95.6Very high0 Ų045 Ų450%022%0.216CC..EExtended strand (participates in β ladder)trans-130.8142.3179.200000112.6V124 C148 V157 I159 I161V124-A146 HydrophobicContact CB-CB 4.36Å; V124-A146 WeakPolarHBondContact O-CA 3.2Å; A146-C148 PolarHBondContact O-N 3.13Å; A146-V157 HydrophobicContact CB-CB 4.49Å; A146-V157 HydrophobicContact CB-CG1 3.73Å; A146-V157 HydrophobicContact CB-CG2 3.86Å; A146-I159 PolarHBondContact N-O 2.78Å; A146-I161 PolarHBondContact O-N 3.4Å
147L96.6Very high95.6Very high3 Ų345.7 Ų45.72%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-78.6107.4165.1-64.3-175.9000108.5V124 T125 I161 M174 W175V124-L147 PolarHBondContact O-N 3.38Å; T125-L147 WeakPolarHBondContact O-CB 3.45Å; T125-L147 VanDerWaalsContact O-O 3.1Å; L147-I161 HydrophobicContact CD2-CB 3.85Å; L147-I161 HydrophobicContact CD2-CD1 3.98Å; L147-I161 HydrophobicContact CD2-CG1 4.48Å; L147-I161 HydrophobicContact CD2-CG2 3.93Å; L147-M174 HydrophobicContact CD1-CB 4.15Å; L147-M174 HydrophobicContact CD2-CB 4.24Å; L147-M174 HydrophobicContact CD2-CE 4.41Å; L147-W175 HydrophobicContact CD1-CZ2 4.35Å
148C96Very high95.6Very high0 Ų050.8 Ų50.80%025%0.248CC..EExtended strand (participates in β ladder)trans-112.1134-171.8-64.30000111.3M34 A146 L154 A160 I161 P162 C163M34-C148 HydrophobicContact CE-CB 4.01Å; M34-C148 HydrophobicContact SD-CB 4.14Å; A146-C148 PolarHBondContact O-N 3.13Å; C148-L154 HydrophobicContact CB-CD2 3.97Å; C148-L154 WeakPolarHBondContact SG-CD2 3.47Å; C148-A160 HydrophobicContact CB-CB 4.35Å; C148-I161 PolarHBondContact N-O 3.14Å; C148-P162 CarbonylContact O-C 3.59Å; C148-P162 VanDerWaalsContact O-CA 3.31Å; C148-P162 WeakPolarHBondContact O-CA 3.38Å; C148-C163 PolarHBondContact O-N 3.14Å; C148-C163 VanDerWaalsContact O-O 3.12Å
149N95.7Very high95.6Very high0 Ų049.8 Ų49.80%024%0.239CC..  trans-92.5176.2168-156.7-15.8000110.2G26 G27 M34 D151 S152 C163 N165G26-N149 VanDerWaalsContact CA-OD1 3.31Å; G26-N149 WeakPolarHBondContact CA-OD1 3.27Å; G27-N149 PolarHBondContact N-OD1 3.49Å; M34-N149 WeakPolarHBondContact CE-O 3.3Å; N149-D151 PolarHBondContact O-N 3.39Å; N149-S152 PolarHBondContact N-OG 2.8Å; N149-S152 WeakPolarHBondContact O-CB 3.16Å; N149-S152 PolarHBondContact O-N 3.14Å; N149-S152 VanDerWaalsContact O-N 3.12Å; N149-C163 WeakPolarHBondContact CA-O 3.4Å; N149-N165 HydrophobicContact CB-CB 4.49Å; N149-N165 VanDerWaalsContact CB-OD1 3.27Å; N149-N165 WeakPolarHBondContact CB-OD1 3.33Å; N149-N165 PolarHBondContact ND2-OD1 2.79Å
150T95.5Very high95.7Very high1 Ų142.1 Ų42.11%0.00621%0.21CC..THydrogen-bonded Turntrans-63-27.3-177.961.40000113G27 N29 L30 D31 V38 I49G27-T150 WeakPolarHBondContact CA-OG1 3.45Å; G27-T150 PolarHBondContact N-OG1 3.07Å; N29-T150 CarbonylContact O-C 3.59Å; N29-T150 WeakPolarHBondContact O-CB 3.19Å; N29-T150 PolarHBondContact O-OG1 3.46Å; L30-T150 CarbonylContact C-O 3.49Å; L30-T150 WeakPolarHBondContact CA-O 3.21Å; D31-T150 PolarHBondContact N-O 3.46Å; V38-T150 HydrophobicContact CG2-CG2 3.8Å; I49-T150 HydrophobicContact CD1-CG2 4.17Å; I49-T150 HydrophobicContact CG1-CG2 3.88Å
151D94Very high95.8Very high30 Ų3039.4 Ų39.416%0.1619%0.193CC..THydrogen-bonded Turntrans-96.45.5178.161-36.5000114N29 R128 N149 K166N29-D151 HydrophobicContact CB-CB 4.15Å; R128-D151 IonicContact NH1-OD2 3.58Å; N149-D151 PolarHBondContact O-N 3.39Å; D151-K166 IonicContact OD1-NZ 2.71Å; D151-K166 IonicContact OD2-NZ 3.92Å; D151-K166 PolarHBondContact OD2-NZ 3.2Å
152S93.4Very high95.9Very high1 Ų132.4 Ų32.41%0.00716%0.156CC..  trans-81.7131.3-179.1-680000111.5N149N149-S152 PolarHBondContact N-OG 2.8Å; N149-S152 WeakPolarHBondContact O-CB 3.16Å; N149-S152 PolarHBondContact O-N 3.14Å; N149-S152 VanDerWaalsContact O-N 3.12Å
153P94.5Very high95.9Very high45 Ų4531.8 Ų31.829%0.29215%0.153SC..  trans-71.8137.9172.930.5-33.3000110.4R128 R155R128-P153 VanDerWaalsContact CG-CD 3.5Å; R128-P153 HydrophobicContact CG-CG 4.25Å; P153-R155 VanDerWaalsContact C-N 3.33Å
154L95Very high95.9Very high24 Ų2430 Ų3013%0.12614%0.139CC..  trans-96.526.7176.2-55.2-177.6000113.2Q33 M34 C148 Y156 V157 A160Q33-L154 HydrophobicContact CB-CD1 3.68Å; Q33-L154 HydrophobicContact CB-CG 4.38Å; M34-L154 HydrophobicContact CG-CD1 4.29Å; M34-L154 HydrophobicContact CG-CG 4.32Å; M34-L154 HydrophobicContact SD-CD1 3.74Å; M34-L154 HydrophobicContact SD-CD2 3.75Å; M34-L154 HydrophobicContact SD-CG 3.99Å; C148-L154 HydrophobicContact CB-CD2 3.97Å; C148-L154 WeakPolarHBondContact SG-CD2 3.47Å; L154-Y156 PolarHBondContact O-N 3.47Å; L154-V157 PolarHBondContact O-N 3.49Å; L154-A160 HydrophobicContact CD1-CB 4.26Å; L154-A160 HydrophobicContact CD2-CB 3.64Å
155R94.6Very high95.6Very high195 Ų19530 Ų3074%0.73614%0.139SC*.THydrogen-bonded Turntrans-70.3128.2175.6-62.8-177.4-176.7-177.30.5109.2P153 V157P153-R155 VanDerWaalsContact C-N 3.33Å; R155-V157 PolarHBondContact O-N 3.48Å
156Y95.1Very high95.3Very high143 Ų14334.9 Ų34.956%0.56116%0.161SC*.THydrogen-bonded Turntrans61.819.7-178.5-46.3-70.7000114.9T144 L154T144-Y156 PolarHBondContact OG1-O 3.05Å; L154-Y156 PolarHBondContact O-N 3.47Å
157V96.4Very high95Very high20 Ų2036 Ų3612%0.12117%0.172CC..  trans-106.7119.3175.5177.60000109.4P127 L134 T144 A146 L154 R155 A160P127-V157 HydrophobicContact CB-CG2 4.38Å; L134-V157 HydrophobicContact CD1-CG2 4.27Å; L134-V157 HydrophobicContact CD2-CG2 4.39Å; T144-V157 WeakPolarHBondContact OG1-CA 3.07Å; A146-V157 HydrophobicContact CB-CB 4.49Å; A146-V157 HydrophobicContact CB-CG1 3.73Å; A146-V157 HydrophobicContact CB-CG2 3.86Å; L154-V157 PolarHBondContact O-N 3.49Å; R155-V157 PolarHBondContact O-N 3.48Å; V157-A160 HydrophobicContact CG1-CB 4.34Å
158D96.1Very high94.7Very high108 Ų10839 Ų3958%0.57819%0.186SC*.SBendtrans-84.3-44.4179.4-57.3-53.4000111.4P143 T144P143-D158 WeakPolarHBondContact CA-OD2 3.36Å; T144-D158 PolarHBondContact N-OD2 3.32Å; T144-D158 WeakPolarHBondContact O-CB 3.34Å; T144-D158 PolarHBondContact O-N 2.94Å
159I96.8Very high94.6Very high26 Ų2644.4 Ų44.413%0.13321%0.211CC..EExtended strand (participates in β ladder)trans-120.1104.7179.2-58.2163.3000109.4L60 A61 A64 T144 I145 A146L60-I159 HydrophobicContact CD2-CB 4.4Å; L60-I159 HydrophobicContact CD2-CD1 3.28Å; L60-I159 HydrophobicContact CD2-CG1 3.6Å; L60-I159 HydrophobicContact CD2-CG2 3.87Å; A61-I159 HydrophobicContact CB-CG2 4.3Å; A64-I159 HydrophobicContact CB-CD1 4.12Å; T144-I159 PolarHBondContact O-N 3.37Å; T144-I159 VanDerWaalsContact O-N 3.16Å; I145-I159 WeakPolarHBondContact CA-O 3.42Å; I145-I159 HydrophobicContact CB-CB 4.43Å; I145-I159 HydrophobicContact CD1-CD1 3.96Å; I145-I159 HydrophobicContact CG1-CB 4.1Å; I145-I159 HydrophobicContact CG1-CD1 4.02Å; I145-I159 HydrophobicContact CG2-CB 4.17Å; I145-I159 HydrophobicContact CG2-CG2 4.19Å; A146-I159 PolarHBondContact N-O 2.78Å
160A96.6Very high94.6Very high5 Ų544.4 Ų44.44%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-85.2122.6169.900000110.6Y37 K57 C148 L154 V157 P162Y37-A160 HydrophobicContact CE2-CB 4.27Å; K57-A160 WeakPolarHBondContact CG-O 3.43Å; C148-A160 HydrophobicContact CB-CB 4.35Å; L154-A160 HydrophobicContact CD1-CB 4.26Å; L154-A160 HydrophobicContact CD2-CB 3.64Å; V157-A160 HydrophobicContact CG1-CB 4.34Å; A160-P162 WeakPolarHBondContact O-CD 3.27Å
161I97.1Very high94.5Very high0 Ų044.5 Ų44.50%021%0.212CC..EExtended strand (participates in β ladder)trans-97.4107.2167-58176.1000107.2K57 A61 I145 A146 L147 C148 C163 M174 L178K57-I161 HydrophobicContact CB-CG1 4.48Å; A61-I161 HydrophobicContact CB-CD1 3.69Å; A61-I161 HydrophobicContact CB-CG1 4.29Å; I145-I161 HydrophobicContact CG2-CD1 3.98Å; I145-I161 HydrophobicContact CG2-CG1 4.27Å; A146-I161 PolarHBondContact O-N 3.4Å; L147-I161 HydrophobicContact CD2-CB 3.85Å; L147-I161 HydrophobicContact CD2-CD1 3.98Å; L147-I161 HydrophobicContact CD2-CG1 4.48Å; L147-I161 HydrophobicContact CD2-CG2 3.93Å; C148-I161 PolarHBondContact N-O 3.14Å; I161-C163 PolarHBondContact O-N 3.1Å; I161-M174 HydrophobicContact CG2-CE 3.44Å; I161-M174 VanDerWaalsContact CG2-CE 3.44Å; I161-L178 HydrophobicContact CD1-CD1 3.88Å
162P96.7Very high94.6Very high0 Ų043.1 Ų43.10%020%0.204CC..EExtended strand (participates in β ladder)trans-68.6122.1178.825.1-30.1000109.8M34 Y37 I49 T54 C148 A160M34-P162 HydrophobicContact CE-CB 4.01Å; Y37-P162 HydrophobicContact CD1-CB 4.32Å; Y37-P162 HydrophobicContact CD1-CG 3.67Å; Y37-P162 HydrophobicContact CD2-CB 4.38Å; Y37-P162 HydrophobicContact CD2-CG 4.48Å; Y37-P162 HydrophobicContact CE1-CG 4.34Å; Y37-P162 HydrophobicContact CG-CB 3.87Å; Y37-P162 HydrophobicContact CG-CG 3.74Å; I49-P162 HydrophobicContact CG2-CB 3.79Å; I49-P162 HydrophobicContact CG2-CG 4.46Å; T54-P162 VanDerWaalsContact CB-O 3.3Å; T54-P162 WeakPolarHBondContact CB-O 3.31Å; T54-P162 HydrophobicContact CG2-CB 4.31Å; T54-P162 HydrophobicContact CG2-CG 3.96Å; T54-P162 WeakPolarHBondContact CG2-O 3.48Å; C148-P162 CarbonylContact O-C 3.59Å; C148-P162 VanDerWaalsContact O-CA 3.31Å; C148-P162 WeakPolarHBondContact O-CA 3.38Å; A160-P162 WeakPolarHBondContact O-CD 3.27Å
163C95.9Very high94.7Very high0 Ų043.2 Ų43.20%021%0.205CC..  trans-159.7160.817764.40000111.4C148 N149 I161 N165 M174C148-C163 PolarHBondContact O-N 3.14Å; C148-C163 VanDerWaalsContact O-O 3.12Å; N149-C163 WeakPolarHBondContact CA-O 3.4Å; I161-C163 PolarHBondContact O-N 3.1Å; C163-N165 VanDerWaalsContact C-N 3.35Å; C163-N165 PolarHBondContact O-N 3.4Å; C163-M174 HydrophobicContact CB-CE 3.98Å; C163-M174 HydrophobicContact CB-CG 3.87Å; C163-M174 HydrophobicContact CB-SD 3.98Å
164N95.4Very high94.8Very high23 Ų2341.2 Ų41.212%0.12319%0.191CC..  trans-69.495166.8-173.9-5.8000109.7G22 T23 L25 K166 S170G22-N164 WeakPolarHBondContact O-CB 3.41Å; G22-N164 PolarHBondContact O-ND2 3.23Å; G22-N164 VanDerWaalsContact O-ND2 3.14Å; T23-N164 PolarHBondContact O-N 3.34Å; L25-N164 WeakPolarHBondContact O-CB 3.33Å; L25-N164 PolarHBondContact O-ND2 3.24Å; N164-K166 VanDerWaalsContact C-N 3.25Å; N164-K166 PolarHBondContact O-N 2.57Å; N164-K166 PolarHBondContact OD1-N 3.15Å; N164-S170 WeakPolarHBondContact O-CB 3.46Å; N164-S170 PolarHBondContact O-OG 2.95Å
165N92Very high94.9Very high2 Ų240.1 Ų40.11%0.01119%0.185CC..  trans-81.45.5178.976.6-7.3000112.9R80 D126 N149 C163 V171R80-N165 PolarHBondContact NH1-O 3.03Å; R80-N165 PolarHBondContact NH2-O 2.88Å; D126-N165 PolarHBondContact OD1-ND2 3.07Å; D126-N165 VanDerWaalsContact OD1-ND2 3.13Å; D126-N165 PolarHBondContact OD2-ND2 2.9Å; N149-N165 HydrophobicContact CB-CB 4.49Å; N149-N165 VanDerWaalsContact CB-OD1 3.27Å; N149-N165 WeakPolarHBondContact CB-OD1 3.33Å; N149-N165 PolarHBondContact ND2-OD1 2.79Å; C163-N165 VanDerWaalsContact C-N 3.35Å; C163-N165 PolarHBondContact O-N 3.4Å; N165-V171 WeakPolarHBondContact O-CG2 3.2Å
166K90Very high95Very high107 Ų10731.3 Ų31.347%0.46515%0.152SC..SBendtrans-98.5-33.5-178.2-68.4175.2-176.3164.20113.5D151 N164D151-K166 IonicContact OD1-NZ 2.71Å; D151-K166 IonicContact OD2-NZ 3.92Å; D151-K166 PolarHBondContact OD2-NZ 3.2Å; N164-K166 VanDerWaalsContact C-N 3.25Å; N164-K166 PolarHBondContact O-N 2.57Å; N164-K166 PolarHBondContact OD1-N 3.15Å
167G90.9Very high95Very high23 Ų2324.5 Ų24.524%0.23713%0.125CC..SBendtrans-76.4135.9179.600000113.2H169 S170 V171G167-H169 PolarHBondContact O-N 3.21Å; G167-S170 PolarHBondContact O-N 3.13Å; G167-V171 WeakPolarHBondContact O-CG2 3.3Å; G167-V171 PolarHBondContact O-N 2.93Å
168H90.8Very high95Very high67 Ų6723.6 Ų23.631%0.3112%0.12SC..Hα-helixtrans-58.6-46.9178.7-52.3-74.5000112.4T82 G172 Y204T82-H168 VanDerWaalsContact CG2-CE1 3.45Å; T82-H168 WeakPolarHBondContact CG2-CE1 3.24Å; T82-H168 WeakPolarHBondContact CG2-ND1 3.48Å; H168-G172 PolarHBondContact O-N 2.88Å; H168-Y204 AromaticContact CE1-CD1 3.95Å; H168-Y204 AromaticContact ND1-CD1 3.46Å; H168-Y204 WeakPolarHBondContact ND1-CD1 3.48Å
169H93.7Very high95Very high113 Ų11318.4 Ų18.452%0.5239%0.092SC..Hα-helixtrans-62.7-42.5177.5-56.996.5000112.2A21 G167 L173 F203A21-H169 HydrophobicContact CB-CB 4.08Å; G167-H169 PolarHBondContact O-N 3.21Å; H169-L173 WeakPolarHBondContact O-CB 3.43Å; H169-L173 PolarHBondContact O-N 3.42Å; H169-F203 HydrophobicContact CB-CE1 4.39Å; H169-F203 HydrophobicContact CB-CE2 4.49Å; H169-F203 HydrophobicContact CB-CZ 4.3Å; H169-F203 AromaticContact CD2-CD2 3.6Å; H169-F203 AromaticContact CD2-CE2 3.65Å; H169-F203 WeakPolarHBondContact O-CE1 3.47Å
170S95.4Very high94.9Very high0 Ų017.5 Ų17.50%09%0.087CC..Hα-helixtrans-64.4-49.1179.8175.60000111.7T23 N164 G167 G172 L173 M174T23-S170 WeakPolarHBondContact CG2-OG 3.48Å; N164-S170 WeakPolarHBondContact O-CB 3.46Å; N164-S170 PolarHBondContact O-OG 2.95Å; G167-S170 PolarHBondContact O-N 3.13Å; S170-G172 PolarHBondContact O-N 2.87Å; S170-L173 PolarHBondContact O-N 3.01Å; S170-M174 VanDerWaalsContact O-CG 3.3Å; S170-M174 WeakPolarHBondContact O-CG 3.43Å; S170-M174 PolarHBondContact O-N 3.41Å
171V95.1Very high94.8Very high3 Ų317.2 Ų17.22%0.0189%0.085CC..Hα-helixtrans-60.5-49.6-178.4172.90000111.2N165 G167 L173 M174 W175N165-V171 WeakPolarHBondContact O-CG2 3.2Å; G167-V171 WeakPolarHBondContact O-CG2 3.3Å; G167-V171 PolarHBondContact O-N 2.93Å; V171-L173 VanDerWaalsContact C-N 3.33Å; V171-L173 PolarHBondContact O-N 2.56Å; V171-M174 PolarHBondContact O-N 3.07Å; V171-W175 PolarHBondContact O-N 2.96Å
172G95Very high94.7Very high0 Ų017.2 Ų17.20%09%0.085CC..Hα-helixtrans-65.8-35.6-18000000112.9H168 S170 M174 W175 W176 Y202H168-G172 PolarHBondContact O-N 2.88Å; S170-G172 PolarHBondContact O-N 2.87Å; G172-M174 PolarHBondContact O-N 3.42Å; G172-W175 PolarHBondContact O-N 3.22Å; G172-W176 WeakPolarHBondContact O-CB 3.43Å; G172-W176 PolarHBondContact O-N 3.18Å; G172-Y202 WeakPolarHBondContact O-CB 3.38Å
173L96.1Very high94.5Very high4 Ų418 Ų182%0.0219%0.089CC..Hα-helixtrans-62.9-43.6175.1-176.3161.4000111.1K17 F18 A21 T23 H169 S170 V171 W175 W176 M177 F203K17-L173 HydrophobicContact CB-CD1 3.8Å; K17-L173 WeakPolarHBondContact O-CD1 3.45Å; F18-L173 HydrophobicContact CD1-CD2 3.53Å; F18-L173 HydrophobicContact CE1-CD2 3.39Å; F18-L173 HydrophobicContact CZ-CD2 4.32Å; A21-L173 HydrophobicContact CB-CB 4.41Å; A21-L173 HydrophobicContact CB-CD1 3.54Å; T23-L173 HydrophobicContact CG2-CD2 4.43Å; H169-L173 WeakPolarHBondContact O-CB 3.43Å; H169-L173 PolarHBondContact O-N 3.42Å; S170-L173 PolarHBondContact O-N 3.01Å; V171-L173 VanDerWaalsContact C-N 3.33Å; V171-L173 PolarHBondContact O-N 2.56Å; L173-W175 VanDerWaalsContact C-N 3.33Å; L173-W175 PolarHBondContact O-N 2.71Å; L173-W176 PolarHBondContact O-N 2.8Å; L173-M177 HydrophobicContact CD2-CE 4.35Å; L173-M177 HydrophobicContact CD2-CG 3.58Å; L173-M177 HydrophobicContact CG-CG 4.38Å; L173-M177 WeakPolarHBondContact O-CB 3.3Å; L173-M177 VanDerWaalsContact O-CG 3.3Å; L173-M177 WeakPolarHBondContact O-CG 3.47Å; L173-M177 PolarHBondContact O-N 2.75Å; L173-F203 HydrophobicContact CB-CE1 4.11Å
174M96.3Very high94.4Very high2 Ų219.4 Ų19.41%0.0110%0.095CC..Hα-helixtrans-60.6-43179.4-69-55.4-63.100111.7F18 L58 L147 I161 C163 S170 V171 G172 M177 L178F18-M174 HydrophobicContact CD1-SD 4.33Å; F18-M174 HydrophobicContact CE1-SD 3.64Å; L58-M174 HydrophobicContact CD1-CE 3.54Å; L147-M174 HydrophobicContact CD1-CB 4.15Å; L147-M174 HydrophobicContact CD2-CB 4.24Å; L147-M174 HydrophobicContact CD2-CE 4.41Å; I161-M174 HydrophobicContact CG2-CE 3.44Å; I161-M174 VanDerWaalsContact CG2-CE 3.44Å; C163-M174 HydrophobicContact CB-CE 3.98Å; C163-M174 HydrophobicContact CB-CG 3.87Å; C163-M174 HydrophobicContact CB-SD 3.98Å; S170-M174 VanDerWaalsContact O-CG 3.3Å; S170-M174 WeakPolarHBondContact O-CG 3.43Å; S170-M174 PolarHBondContact O-N 3.41Å; V171-M174 PolarHBondContact O-N 3.07Å; G172-M174 PolarHBondContact O-N 3.42Å; M174-M177 PolarHBondContact O-N 3.25Å; M174-L178 VanDerWaalsContact O-CB 3.27Å; M174-L178 WeakPolarHBondContact O-CB 3.13Å; M174-L178 PolarHBondContact O-N 3Å
175W96.5Very high94.2Very high1 Ų120.9 Ų20.90%0.00410%0.101CC..Hα-helixtrans-64.6-43.4174.7-77.2111.2000112.9V76 A86 V87 F90 I123 T125 L147 V171 G172 L173 L178 A179 Y202V76-W175 HydrophobicContact CG1-CE3 4.43Å; V76-W175 HydrophobicContact CG1-CH2 3.19Å; V76-W175 HydrophobicContact CG1-CZ2 3.9Å; V76-W175 HydrophobicContact CG1-CZ3 3.49Å; V76-W175 VanDerWaalsContact CG1-CZ3 3.49Å; A86-W175 HydrophobicContact CB-CB 3.96Å; A86-W175 VanDerWaalsContact CB-CD1 3.43Å; A86-W175 HydrophobicContact CB-CG 3.83Å; V87-W175 HydrophobicContact CG2-CD2 4.44Å; V87-W175 HydrophobicContact CG2-CH2 4.35Å; V87-W175 HydrophobicContact CG2-CZ2 3.8Å; F90-W175 HydrophobicContact CB-CE3 3.98Å; F90-W175 HydrophobicContact CD1-CE3 4.06Å; F90-W175 AromaticContact CD1-CZ3 3.96Å; F90-W175 HydrophobicContact CD1-CZ3 3.96Å; F90-W175 AromaticContact CD2-CE3 3.62Å; F90-W175 HydrophobicContact CD2-CE3 3.62Å; F90-W175 HydrophobicContact CD2-CZ3 4.19Å; F90-W175 HydrophobicContact CE1-CZ3 4.15Å; F90-W175 HydrophobicContact CE2-CE3 4.17Å; F90-W175 HydrophobicContact CE2-CZ3 4.42Å; F90-W175 AromaticContact CG-CE3 3.59Å; F90-W175 HydrophobicContact CG-CE3 3.59Å; F90-W175 AromaticContact CG-CZ3 3.98Å; F90-W175 HydrophobicContact CG-CZ3 3.98Å; F90-W175 HydrophobicContact CZ-CZ3 4.38Å; I123-W175 HydrophobicContact CB-CH2 3.88Å; I123-W175 HydrophobicContact CB-CZ3 4.37Å; I123-W175 HydrophobicContact CD1-CZ3 4.48Å; I123-W175 HydrophobicContact CG2-CH2 3.33Å; I123-W175 HydrophobicContact CG2-CZ2 4.3Å; I123-W175 HydrophobicContact CG2-CZ3 3.84Å; T125-W175 HydrophobicContact CG2-CZ2 3.48Å; T125-W175 VanDerWaalsContact CG2-CZ2 3.48Å; T125-W175 VanDerWaalsContact CG2-NE1 3.33Å; L147-W175 HydrophobicContact CD1-CZ2 4.35Å; V171-W175 PolarHBondContact O-N 2.96Å; G172-W175 PolarHBondContact O-N 3.22Å; L173-W175 VanDerWaalsContact C-N 3.33Å; L173-W175 PolarHBondContact O-N 2.71Å; W175-L178 PolarHBondContact O-N 3.47Å; W175-A179 PolarHBondContact O-N 2.84Å; W175-Y202 HydrophobicContact CB-CD1 3.99Å
176W96.5Very high94.2Very high10 Ų1024.6 Ų24.64%0.03812%0.115CC..Hα-helixtrans-60.7-46.4176.8178.988.2000111.7K17 G172 L173 L178 A179 R180 W195 V197 P199 Y202K17-W176 HydrophobicContact CD-CZ3 4.4Å; G172-W176 WeakPolarHBondContact O-CB 3.43Å; G172-W176 PolarHBondContact O-N 3.18Å; L173-W176 PolarHBondContact O-N 2.8Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 2.93Å; W176-A179 PolarHBondContact O-N 3.26Å; W176-R180 VanDerWaalsContact O-CB 3.32Å; W176-R180 WeakPolarHBondContact O-CB 3.4Å; W176-R180 PolarHBondContact O-N 3.24Å; W176-W195 AromaticContact CD1-CE3 3.91Å; W176-W195 AromaticContact CD1-CZ3 3.31Å; W176-W195 HydrophobicContact CD2-CE3 4.23Å; W176-W195 HydrophobicContact CD2-CZ3 4.07Å; W176-W195 AromaticContact CE2-CE3 3.43Å; W176-W195 VanDerWaalsContact CE2-CE3 3.43Å; W176-W195 AromaticContact CE2-CZ3 3.64Å; W176-W195 HydrophobicContact CG-CE3 4.49Å; W176-W195 AromaticContact CG-CZ3 3.89Å; W176-W195 HydrophobicContact CG-CZ3 3.89Å; W176-W195 AromaticContact CZ2-CE3 3.7Å; W176-W195 HydrophobicContact CZ2-CE3 3.7Å; W176-W195 HydrophobicContact CZ2-CZ3 4.36Å; W176-W195 AromaticContact NE1-CE3 3.22Å; W176-W195 AromaticContact NE1-CZ3 3.14Å; W176-V197 PolarHBondContact NE1-O 2.53Å; W176-P199 HydrophobicContact CD2-CB 4.03Å; W176-P199 HydrophobicContact CD2-CG 3.84Å; W176-P199 HydrophobicContact CE3-CB 4.37Å; W176-P199 HydrophobicContact CE3-CG 4.02Å; W176-P199 HydrophobicContact CG-CB 4.13Å; W176-P199 HydrophobicContact CG-CG 4.41Å; W176-P199 HydrophobicContact CH2-CG 4.1Å; W176-P199 HydrophobicContact CZ2-CG 3.92Å; W176-P199 HydrophobicContact CZ3-CG 4.13Å; W176-Y202 HydrophobicContact CB-CD1 4.23Å; W176-Y202 HydrophobicContact CB-CD2 3.98Å; W176-Y202 HydrophobicContact CB-CE2 4.39Å; W176-Y202 HydrophobicContact CB-CG 3.92Å; W176-Y202 AromaticContact CD1-CD2 3.53Å; W176-Y202 AromaticContact CD1-CE2 3.53Å; W176-Y202 HydrophobicContact CG-CD2 4.17Å; W176-Y202 HydrophobicContact CG-CE2 4.36Å
177M95.5Very high94.2Very high0 Ų022.4 Ų22.40%012%0.123CC..Hα-helixtrans-60.9-43.4176.7-74.5-65.1-137.200111.7D14 F18 W55 L58 L173 M174 R180 E181D14-M177 HydrophobicContact CB-CE 3.51Å; D14-M177 WeakPolarHBondContact OD1-CE 3.37Å; F18-M177 HydrophobicContact CD2-CE 4.37Å; F18-M177 HydrophobicContact CE1-CE 4.21Å; F18-M177 HydrophobicContact CE1-CG 4.37Å; F18-M177 HydrophobicContact CE2-CE 3.69Å; F18-M177 HydrophobicContact CZ-CE 3.61Å; F18-M177 HydrophobicContact CZ-CG 4.23Å; W55-M177 HydrophobicContact CZ3-CE 4.3Å; L58-M177 HydrophobicContact CD1-CB 4.01Å; L58-M177 HydrophobicContact CD2-CB 4.32Å; L173-M177 HydrophobicContact CD2-CE 4.35Å; L173-M177 HydrophobicContact CD2-CG 3.58Å; L173-M177 HydrophobicContact CG-CG 4.38Å; L173-M177 WeakPolarHBondContact O-CB 3.3Å; L173-M177 VanDerWaalsContact O-CG 3.3Å; L173-M177 WeakPolarHBondContact O-CG 3.47Å; L173-M177 PolarHBondContact O-N 2.75Å; M174-M177 PolarHBondContact O-N 3.25Å; M177-R180 PolarHBondContact O-N 3.21Å; M177-R180 PolarHBondContact SD-NH2 3.11Å; M177-E181 WeakPolarHBondContact O-CG 3.48Å; M177-E181 PolarHBondContact O-N 3.06Å
178L96.1Very high94.2Very high1 Ų125.7 Ų25.71%0.00514%0.138CC..Hα-helixtrans-66-44.5-179.6-165.2157.6000110.9L58 I65 F90 I161 M174 W175 W176 R180 E181 V182L58-L178 HydrophobicContact CD1-CB 4.37Å; I65-L178 HydrophobicContact CD1-CD2 3.49Å; I65-L178 VanDerWaalsContact CD1-CD2 3.49Å; I65-L178 HydrophobicContact CD1-CG 4.42Å; F90-L178 HydrophobicContact CD2-CD2 4.32Å; F90-L178 HydrophobicContact CE2-CB 4.4Å; F90-L178 HydrophobicContact CE2-CD2 3.23Å; F90-L178 HydrophobicContact CE2-CG 4.4Å; F90-L178 HydrophobicContact CZ-CD2 3.42Å; F90-L178 VanDerWaalsContact CZ-CD2 3.42Å; I161-L178 HydrophobicContact CD1-CD1 3.88Å; M174-L178 VanDerWaalsContact O-CB 3.27Å; M174-L178 WeakPolarHBondContact O-CB 3.13Å; M174-L178 PolarHBondContact O-N 3Å; W175-L178 PolarHBondContact O-N 3.47Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 2.93Å; L178-R180 PolarHBondContact O-N 3.18Å; L178-E181 PolarHBondContact O-N 2.87Å; L178-V182 HydrophobicContact CD2-CG2 4.1Å; L178-V182 VanDerWaalsContact O-CG2 3.3Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 2.92Å
179A95.9Very high94.3Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-58.4-4917400000111.4F90 T94 W175 W176 E181 V182 L183 W195F90-A179 HydrophobicContact CD2-CB 3.61Å; F90-A179 HydrophobicContact CE2-CB 3.81Å; T94-A179 HydrophobicContact CG2-CB 4.38Å; W175-A179 PolarHBondContact O-N 2.84Å; W176-A179 PolarHBondContact O-N 3.26Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-E181 PolarHBondContact O-N 3.07Å; A179-V182 PolarHBondContact O-N 3.2Å; A179-L183 WeakPolarHBondContact O-CB 3.34Å; A179-L183 VanDerWaalsContact O-CG 3.32Å; A179-L183 WeakPolarHBondContact O-CG 3.46Å; A179-L183 PolarHBondContact O-N 2.91Å; A179-W195 HydrophobicContact CB-CH2 4Å; A179-W195 HydrophobicContact CB-CZ3 4.44Å
180R95Very high94.1Very high6 Ų621.2 Ų21.22%0.02312%0.124CC..Hα-helixtrans-57.9-44.7-179.9-170.2-171.171.7172.89.2112D14 W176 M177 L178 R184 W195D14-R180 VanDerWaalsContact CG-NH2 3.34Å; D14-R180 IonicContact OD1-CZ 3.5Å; D14-R180 IonicContact OD1-NH1 2.77Å; D14-R180 PolarHBondContact OD1-NH1 3.2Å; D14-R180 IonicContact OD1-NH2 3.34Å; D14-R180 PolarHBondContact OD1-NH2 3.37Å; D14-R180 IonicContact OD2-CZ 3.63Å; D14-R180 IonicContact OD2-NH1 3.62Å; D14-R180 IonicContact OD2-NH2 2.76Å; D14-R180 PolarHBondContact OD2-NH2 2.9Å; W176-R180 VanDerWaalsContact O-CB 3.32Å; W176-R180 WeakPolarHBondContact O-CB 3.4Å; W176-R180 PolarHBondContact O-N 3.24Å; M177-R180 PolarHBondContact O-N 3.21Å; M177-R180 PolarHBondContact SD-NH2 3.11Å; L178-R180 PolarHBondContact O-N 3.18Å; R180-R184 VanDerWaalsContact CZ-NH1 3.33Å; R180-R184 VanDerWaalsContact NH2-NH1 3.19Å; R180-R184 WeakPolarHBondContact O-CB 3.41Å; R180-R184 WeakPolarHBondContact O-CD 3.43Å; R180-R184 VanDerWaalsContact O-CG 3.22Å; R180-R184 WeakPolarHBondContact O-CG 3.42Å; R180-R184 PolarHBondContact O-N 3.07Å; R180-W195 HydrophobicContact CB-CE3 3.69Å; R180-W195 HydrophobicContact CB-CZ3 3.84Å; R180-W195 HydrophobicContact CG-CB 4.3Å; R180-W195 HydrophobicContact CG-CD2 4.31Å; R180-W195 HydrophobicContact CG-CE3 3.79Å; R180-W195 HydrophobicContact CG-CZ3 4.45Å
181E94.2Very high93.7Very high0 Ų023.6 Ų23.60%013%0.134CC..Hα-helixtrans-70.2-37.2178.6-69.1-53.8134.500112.6W55 L58 L59 A62 M177 L178 A179 R184 M185 R191W55-E181 HydrophobicContact CH2-CG 4.25Å; L58-E181 HydrophobicContact CD2-CG 3.98Å; L59-E181 HydrophobicContact CD2-CB 4.46Å; L59-E181 HydrophobicContact CD2-CG 4.05Å; A62-E181 HydrophobicContact CB-CB 4.01Å; M177-E181 WeakPolarHBondContact O-CG 3.48Å; M177-E181 PolarHBondContact O-N 3.06Å; L178-E181 PolarHBondContact O-N 2.87Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-E181 PolarHBondContact O-N 3.07Å; E181-R184 PolarHBondContact O-N 3.21Å; E181-R184 IonicContact OE1-CZ 3.58Å; E181-R184 IonicContact OE1-NH1 3.78Å; E181-R184 PolarHBondContact OE1-NH1 3.12Å; E181-M185 WeakPolarHBondContact O-CG 3.19Å; E181-M185 PolarHBondContact O-N 3.37Å; E181-R191 IonicContact OE2-CZ 3.65Å; E181-R191 IonicContact OE2-NH1 2.77Å; E181-R191 IonicContact OE2-NH2 3.56Å; E181-R191 PolarHBondContact OE2-NH2 3.12Å
182V95Very high93.3Very high0 Ų031.8 Ų31.80%017%0.172CC..Hα-helixtrans-61.2-46.1173.41700000110.7A62 I65 V66 T94 L178 A179 R184 M185 R186A62-V182 HydrophobicContact CB-CG2 4.02Å; I65-V182 HydrophobicContact CB-CG2 4.08Å; I65-V182 HydrophobicContact CD1-CG2 4.08Å; I65-V182 HydrophobicContact CG2-CG1 4.03Å; I65-V182 HydrophobicContact CG2-CG2 3.9Å; V66-V182 HydrophobicContact CG2-CG1 4.14Å; T94-V182 HydrophobicContact CG2-CB 4.44Å; T94-V182 HydrophobicContact CG2-CG1 4.13Å; L178-V182 HydrophobicContact CD2-CG2 4.1Å; L178-V182 VanDerWaalsContact O-CG2 3.3Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 2.92Å; A179-V182 PolarHBondContact O-N 3.2Å; V182-R184 PolarHBondContact O-N 3.1Å; V182-M185 PolarHBondContact O-N 2.97Å; V182-R186 WeakPolarHBondContact O-CG 3.26Å; V182-R186 PolarHBondContact O-N 3.16Å
183L94.3Very high92.9Very high16 Ų1637.8 Ų37.88%0.08420%0.199CC..Hα-helixtrans-65.3-37.9178.9-70.4176.2000112.9A93 A179 R186 G187 T188 I189 W195A93-L183 HydrophobicContact CB-CD1 4.38Å; A179-L183 WeakPolarHBondContact O-CB 3.34Å; A179-L183 VanDerWaalsContact O-CG 3.32Å; A179-L183 WeakPolarHBondContact O-CG 3.46Å; A179-L183 PolarHBondContact O-N 2.91Å; L183-R186 PolarHBondContact O-N 3.43Å; L183-G187 PolarHBondContact O-N 2.77Å; L183-T188 WeakPolarHBondContact CA-OG1 3.16Å; L183-T188 WeakPolarHBondContact CB-OG1 3.4Å; L183-T188 WeakPolarHBondContact CD2-OG1 3.09Å; L183-T188 PolarHBondContact O-N 3.31Å; L183-T188 VanDerWaalsContact O-N 3.17Å; L183-T188 PolarHBondContact O-OG1 2.99Å; L183-I189 HydrophobicContact CB-CD1 3.74Å; L183-I189 HydrophobicContact CB-CG1 4.24Å; L183-I189 HydrophobicContact CD1-CD1 3.67Å; L183-I189 HydrophobicContact CG-CD1 4.33Å; L183-W195 HydrophobicContact CD1-CH2 4.48Å; L183-W195 HydrophobicContact CD1-CZ2 3.88Å
184R92.9Very high92.6Very high30 Ų3042.9 Ų42.911%0.11323%0.233CC..Hα-helixtrans-63.2-41.3172.6-76.9168.5171.7179.6-0.7112.2R180 E181 V182 G187 R191R180-R184 VanDerWaalsContact CZ-NH1 3.33Å; R180-R184 VanDerWaalsContact NH2-NH1 3.19Å; R180-R184 WeakPolarHBondContact O-CB 3.41Å; R180-R184 WeakPolarHBondContact O-CD 3.43Å; R180-R184 VanDerWaalsContact O-CG 3.22Å; R180-R184 WeakPolarHBondContact O-CG 3.42Å; R180-R184 PolarHBondContact O-N 3.07Å; E181-R184 PolarHBondContact O-N 3.21Å; E181-R184 IonicContact OE1-CZ 3.58Å; E181-R184 IonicContact OE1-NH1 3.78Å; E181-R184 PolarHBondContact OE1-NH1 3.12Å; V182-R184 PolarHBondContact O-N 3.1Å; R184-G187 PolarHBondContact O-N 3.23Å; R184-R191 HydrophobicContact CG-CG 4.26Å
185M92.1Very high92.3Very high54 Ų5444.8 Ų44.827%0.26624%0.24SC..Hα-helixtrans-71.5-32.2177.9-72.3-174.4-166.300112.4L59 A62 R63 V66 E181 V182 G187L59-M185 HydrophobicContact CD2-CE 3.86Å; A62-M185 HydrophobicContact CB-CE 3.91Å; A62-M185 HydrophobicContact CB-SD 4.07Å; R63-M185 HydrophobicContact CB-SD 4.48Å; R63-M185 HydrophobicContact CG-CE 3.86Å; R63-M185 HydrophobicContact CG-SD 3.7Å; V66-M185 HydrophobicContact CG1-CB 4.33Å; V66-M185 HydrophobicContact CG2-CB 3.64Å; V66-M185 HydrophobicContact CG2-SD 4.25Å; E181-M185 WeakPolarHBondContact O-CG 3.19Å; E181-M185 PolarHBondContact O-N 3.37Å; V182-M185 PolarHBondContact O-N 2.97Å; M185-G187 PolarHBondContact O-N 3.1Å
186R91.3Very high92Very high79 Ų7953.6 Ų53.630%0.29828%0.281SS..THydrogen-bonded Turntrans-73.8-7.9172.7-71.2-178.6177.7175.81.8113.8V66 T94 V182 L183 T188V66-R186 HydrophobicContact CG1-CG 4.47Å; V66-R186 HydrophobicContact CG2-CG 4.3Å; T94-R186 PolarHBondContact O-NH1 3.07Å; V182-R186 WeakPolarHBondContact O-CG 3.26Å; V182-R186 PolarHBondContact O-N 3.16Å; L183-R186 PolarHBondContact O-N 3.43Å; R186-T188 VanDerWaalsContact C-N 3.26Å; R186-T188 HydrophobicContact CB-CG2 4.39Å; R186-T188 PolarHBondContact O-N 3.21Å
187G90.8Very high91.8Very high61 Ų6155.2 Ų55.263%0.62929%0.292SS*.THydrogen-bonded Turntrans77.94.3179.800000115.1L183 R184 M185 I189L183-G187 PolarHBondContact O-N 2.77Å; R184-G187 PolarHBondContact O-N 3.23Å; M185-G187 PolarHBondContact O-N 3.1Å; G187-I189 VanDerWaalsContact C-N 3.3Å; G187-I189 PolarHBondContact O-N 3.07Å
188T90.9Very high91.7Very high92 Ų9261.8 Ų61.856%0.56432%0.324SS*.SBendtrans-67.9-30.617754.90000113L183 R186L183-T188 WeakPolarHBondContact CA-OG1 3.16Å; L183-T188 WeakPolarHBondContact CB-OG1 3.4Å; L183-T188 WeakPolarHBondContact CD2-OG1 3.09Å; L183-T188 PolarHBondContact O-N 3.31Å; L183-T188 VanDerWaalsContact O-N 3.17Å; L183-T188 PolarHBondContact O-OG1 2.99Å; R186-T188 VanDerWaalsContact C-N 3.26Å; R186-T188 HydrophobicContact CB-CG2 4.39Å; R186-T188 PolarHBondContact O-N 3.21Å
189I91.5Very high91.5Very high33 Ų3362.9 Ų62.917%0.16933%0.332CS..SBendtrans-128.9133.5-178.2-59.5172.4000108.3L183 G187 W195L183-I189 HydrophobicContact CB-CD1 3.74Å; L183-I189 HydrophobicContact CB-CG1 4.24Å; L183-I189 HydrophobicContact CD1-CD1 3.67Å; L183-I189 HydrophobicContact CG-CD1 4.33Å; G187-I189 VanDerWaalsContact C-N 3.3Å; G187-I189 PolarHBondContact O-N 3.07Å; I189-W195 HydrophobicContact CD1-CD2 4.36Å; I189-W195 HydrophobicContact CD1-CG 3.98Å
190S90.9Very high91.3Very high53 Ų5366.7 Ų66.737%0.37135%0.352SS..  trans-75.2156.3173.875.30000111.6E192 H193S190-E192 VanDerWaalsContact C-N 3.32Å; S190-H193 PolarHBondContact OG-CD2 2.82Å; S190-H193 PolarHBondContact OG-N 2.83Å
191R86.3Confident91.2Very high51 Ų5169.7 Ų69.719%0.19237%0.368CS..SBendtrans-79-17.7177-74.4-176.8174.4-92.2-23.4113.8V7 L8 K11 E181 R184V7-R191 PolarHBondContact O-NH1 3.06Å; V7-R191 VanDerWaalsContact O-NH1 3.16Å; L8-R191 VanDerWaalsContact CD2-NH1 3.28Å; K11-R191 PolarHBondContact NZ-O 2.84Å; E181-R191 IonicContact OE2-CZ 3.65Å; E181-R191 IonicContact OE2-NH1 2.77Å; E181-R191 IonicContact OE2-NH2 3.56Å; E181-R191 PolarHBondContact OE2-NH2 3.12Å; R184-R191 HydrophobicContact CG-CG 4.26Å
192E86.4Confident91.1Very high175 Ų17569.9 Ų69.982%0.81837%0.369SS*.SBendtrans-79.8-42.7-178.4-66.9-176.5173.200111.3S190S190-E192 VanDerWaalsContact C-N 3.32Å
193H87.5Confident91Very high126 Ų12671 Ų7158%0.58337%0.374SS*.SBendtrans-81.9135.4178.7-60.5-47.9000110.8S190S190-H193 PolarHBondContact OG-CD2 2.82Å; S190-H193 PolarHBondContact OG-N 2.83Å
194P88.4Confident90.6Very high111 Ų11172.4 Ų72.472%0.72138%0.378SS*.PPolyproline II helixtrans-63146172.328.4-33.7000109.3E196P194-E196 PolarHBondContact O-N 2.84Å
195W91.6Very high90.2Very high41 Ų4176 Ų7616%0.15539%0.392CS..PPolyproline II helixtrans-75.7126.1174.9-173.329.4000109.5W176 A179 R180 L183 I189 V197 Y202W176-W195 AromaticContact CD1-CE3 3.91Å; W176-W195 AromaticContact CD1-CZ3 3.31Å; W176-W195 HydrophobicContact CD2-CE3 4.23Å; W176-W195 HydrophobicContact CD2-CZ3 4.07Å; W176-W195 AromaticContact CE2-CE3 3.43Å; W176-W195 VanDerWaalsContact CE2-CE3 3.43Å; W176-W195 AromaticContact CE2-CZ3 3.64Å; W176-W195 HydrophobicContact CG-CE3 4.49Å; W176-W195 AromaticContact CG-CZ3 3.89Å; W176-W195 HydrophobicContact CG-CZ3 3.89Å; W176-W195 AromaticContact CZ2-CE3 3.7Å; W176-W195 HydrophobicContact CZ2-CE3 3.7Å; W176-W195 HydrophobicContact CZ2-CZ3 4.36Å; W176-W195 AromaticContact NE1-CE3 3.22Å; W176-W195 AromaticContact NE1-CZ3 3.14Å; A179-W195 HydrophobicContact CB-CH2 4Å; A179-W195 HydrophobicContact CB-CZ3 4.44Å; R180-W195 HydrophobicContact CB-CE3 3.69Å; R180-W195 HydrophobicContact CB-CZ3 3.84Å; R180-W195 HydrophobicContact CG-CB 4.3Å; R180-W195 HydrophobicContact CG-CD2 4.31Å; R180-W195 HydrophobicContact CG-CE3 3.79Å; R180-W195 HydrophobicContact CG-CZ3 4.45Å; L183-W195 HydrophobicContact CD1-CH2 4.48Å; L183-W195 HydrophobicContact CD1-CZ2 3.88Å; I189-W195 HydrophobicContact CD1-CD2 4.36Å; I189-W195 HydrophobicContact CD1-CG 3.98Å; W195-V197 HydrophobicContact CD2-CB 3.94Å; W195-V197 HydrophobicContact CD2-CG2 4.4Å; W195-V197 HydrophobicContact CE3-CB 4.31Å; W195-V197 HydrophobicContact CG-CB 4.49Å; W195-V197 HydrophobicContact CH2-CB 4.21Å; W195-V197 HydrophobicContact CH2-CG1 4.41Å; W195-V197 HydrophobicContact CZ2-CB 3.8Å; W195-V197 HydrophobicContact CZ2-CG1 4.34Å; W195-V197 HydrophobicContact CZ2-CG2 3.8Å; W195-V197 HydrophobicContact CZ3-CB 4.44Å; W195-V197 PolarHBondContact O-N 2.98Å; W195-Y202 HydrophobicContact CH2-CE2 4.29Å; W195-Y202 WeakPolarHBondContact CH2-OH 3.48Å
196E89.9Confident89.6Confident187 Ų18776.1 Ų76.187%0.87439%0.393SS*.SBendtrans-60.8-28.6-175.9-62.8175.7-178.900113.2P194 M198P194-E196 PolarHBondContact O-N 2.84Å; E196-M198 PolarHBondContact O-N 2.8Å
197V91.6Very high88.9Confident43 Ų4376 Ų7626%0.26140%0.403SS..SBendtrans-75.9119-178.9-176.80000110.1W176 W195 L201 Y202W176-V197 PolarHBondContact NE1-O 2.53Å; W195-V197 HydrophobicContact CD2-CB 3.94Å; W195-V197 HydrophobicContact CD2-CG2 4.4Å; W195-V197 HydrophobicContact CE3-CB 4.31Å; W195-V197 HydrophobicContact CG-CB 4.49Å; W195-V197 HydrophobicContact CH2-CB 4.21Å; W195-V197 HydrophobicContact CH2-CG1 4.41Å; W195-V197 HydrophobicContact CZ2-CB 3.8Å; W195-V197 HydrophobicContact CZ2-CG1 4.34Å; W195-V197 HydrophobicContact CZ2-CG2 3.8Å; W195-V197 HydrophobicContact CZ3-CB 4.44Å; W195-V197 PolarHBondContact O-N 2.98Å; V197-L201 HydrophobicContact CG1-CB 4.46Å; V197-L201 HydrophobicContact CG1-CD2 3.72Å; V197-Y202 HydrophobicContact CG1-CE2 3.96Å
198M92.8Very high88.1Confident138 Ų13880.7 Ų80.768%0.6841%0.408SS*.  trans-70.4146.4176.3-74.1-175.8166.700112.7E196 D200 L201E196-M198 PolarHBondContact O-N 2.8Å; M198-D200 PolarHBondContact O-N 2.84Å; M198-L201 WeakPolarHBondContact O-CB 3.45Å; M198-L201 PolarHBondContact O-N 3.14Å
199P92.3Very high87.3Confident25 Ų2581.4 Ų81.416%0.16241%0.405CS..G310 helixtrans-57.2-35.1176-23.132.3000113.6W176 L201 Y202 F203W176-P199 HydrophobicContact CD2-CB 4.03Å; W176-P199 HydrophobicContact CD2-CG 3.84Å; W176-P199 HydrophobicContact CE3-CB 4.37Å; W176-P199 HydrophobicContact CE3-CG 4.02Å; W176-P199 HydrophobicContact CG-CB 4.13Å; W176-P199 HydrophobicContact CG-CG 4.41Å; W176-P199 HydrophobicContact CH2-CG 4.1Å; W176-P199 HydrophobicContact CZ2-CG 3.92Å; W176-P199 HydrophobicContact CZ3-CG 4.13Å; P199-L201 PolarHBondContact O-N 2.84Å; P199-L201 VanDerWaalsContact O-N 3.07Å; P199-Y202 WeakPolarHBondContact O-CB 3.25Å; P199-Y202 PolarHBondContact O-N 2.9Å; P199-F203 HydrophobicContact CB-CZ 4.3Å
200D91.7Very high86.5Confident80 Ų8082.1 Ų82.143%0.42841%0.409SS..G310 helixtrans-62.4-21.6-174.9-61.211.2000113.2M198 Y202 F203M198-D200 PolarHBondContact O-N 2.84Å; D200-Y202 PolarHBondContact O-N 3.11Å; D200-F203 HydrophobicContact CB-CD2 4.06Å; D200-F203 HydrophobicContact CB-CE2 4.2Å; D200-F203 PolarHBondContact O-N 3.47Å; D200-F203 WeakPolarHBondContact OD1-CE2 3.39Å
201L92.1Very high85.9Confident69 Ų6985.1 Ų85.136%0.36142%0.417SS..G310 helixtrans-61.5-29.1174.3-173.664.1000112.2R85 K89 V197 M198 P199R85-L201 PolarHBondContact NE-O 3.28Å; K89-L201 HydrophobicContact CD-CD2 4.3Å; K89-L201 HydrophobicContact CD-CG 4.24Å; K89-L201 HydrophobicContact CG-CG 4.35Å; V197-L201 HydrophobicContact CG1-CB 4.46Å; V197-L201 HydrophobicContact CG1-CD2 3.72Å; M198-L201 WeakPolarHBondContact O-CB 3.45Å; M198-L201 PolarHBondContact O-N 3.14Å; P199-L201 PolarHBondContact O-N 2.84Å; P199-L201 VanDerWaalsContact O-N 3.07Å
202Y92.6Very high85.6Confident4 Ų490 Ų902%0.01644%0.44CS..G310 helixtrans-88.8-12.3-179-72.1-111.3000112.7A86 K89 F90 G172 W175 W176 W195 V197 P199 D200A86-Y202 HydrophobicContact CB-CD1 4.46Å; A86-Y202 WeakPolarHBondContact CB-O 3.17Å; K89-Y202 HydrophobicContact CB-CD1 3.92Å; K89-Y202 HydrophobicContact CB-CD2 4.35Å; K89-Y202 HydrophobicContact CB-CE1 3.72Å; K89-Y202 HydrophobicContact CB-CE2 4.12Å; K89-Y202 HydrophobicContact CB-CG 4.24Å; K89-Y202 PolarHBondContact O-OH 3Å; F90-Y202 HydrophobicContact CB-CE1 4.14Å; G172-Y202 WeakPolarHBondContact O-CB 3.38Å; W175-Y202 HydrophobicContact CB-CD1 3.99Å; W176-Y202 HydrophobicContact CB-CD1 4.23Å; W176-Y202 HydrophobicContact CB-CD2 3.98Å; W176-Y202 HydrophobicContact CB-CE2 4.39Å; W176-Y202 HydrophobicContact CB-CG 3.92Å; W176-Y202 AromaticContact CD1-CD2 3.53Å; W176-Y202 AromaticContact CD1-CE2 3.53Å; W176-Y202 HydrophobicContact CG-CD2 4.17Å; W176-Y202 HydrophobicContact CG-CE2 4.36Å; W195-Y202 HydrophobicContact CH2-CE2 4.29Å; W195-Y202 WeakPolarHBondContact CH2-OH 3.48Å; V197-Y202 HydrophobicContact CG1-CE2 3.96Å; P199-Y202 WeakPolarHBondContact O-CB 3.25Å; P199-Y202 PolarHBondContact O-N 2.9Å; D200-Y202 PolarHBondContact O-N 3.11Å
203F93Very high85.2Confident23 Ų2386.9 Ų86.910%0.10143%0.425CS..SBendtrans-70137.1178.1-62.3-18.7000110.5R85 H169 L173 P199 D200R85-F203 VanDerWaalsContact CD-O 3.23Å; R85-F203 WeakPolarHBondContact CD-O 3.26Å; R85-F203 PolarHBondContact NE-O 3.47Å; H169-F203 HydrophobicContact CB-CE1 4.39Å; H169-F203 HydrophobicContact CB-CE2 4.49Å; H169-F203 HydrophobicContact CB-CZ 4.3Å; H169-F203 AromaticContact CD2-CD2 3.6Å; H169-F203 AromaticContact CD2-CE2 3.65Å; H169-F203 WeakPolarHBondContact O-CE1 3.47Å; L173-F203 HydrophobicContact CB-CE1 4.11Å; P199-F203 HydrophobicContact CB-CZ 4.3Å; D200-F203 HydrophobicContact CB-CD2 4.06Å; D200-F203 HydrophobicContact CB-CE2 4.2Å; D200-F203 PolarHBondContact O-N 3.47Å; D200-F203 WeakPolarHBondContact OD1-CE2 3.39Å
204Y86.9Confident84.7Confident46 Ų4686.8 Ų86.818%0.1843%0.425CS..  trans-64.4134.4164.7178.2-107.5000108.9N81 T82 H168 D206N81-Y204 HydrophobicContact CB-CE1 4.5Å; N81-Y204 HydrophobicContact CB-CE2 4.07Å; N81-Y204 WeakPolarHBondContact O-CD2 3.39Å; T82-Y204 WeakPolarHBondContact O-CB 3.46Å; H168-Y204 AromaticContact CE1-CD1 3.95Å; H168-Y204 AromaticContact ND1-CD1 3.46Å; H168-Y204 WeakPolarHBondContact ND1-CD1 3.48Å; Y204-D206 WeakPolarHBondContact CE1-OD1 3.46Å; Y204-D206 PolarHBondContact OH-OD1 3.43Å
205R84.4Confident84Confident105 Ų10587.1 Ų87.140%0.39642%0.417SS..  trans-120.9134.6171.7-67.8-170.1-173.9175.3-3.5107I210 E213R205-I210 HydrophobicContact CB-CD1 3.86Å; R205-I210 HydrophobicContact CB-CG1 3.73Å; R205-E213 IonicContact NH1-OE2 2.75Å
206D78.8Confident83.3Confident56 Ų5686.8 Ų86.830%0.29942%0.423SS..  trans-66.6135.2176-73.3-49.8000109.1Y204 E208 E209 I210Y204-D206 WeakPolarHBondContact CE1-OD1 3.46Å; Y204-D206 PolarHBondContact OH-OD1 3.43Å; D206-E208 PolarHBondContact O-N 2.65Å; D206-E209 HydrophobicContact CB-CB 4.34Å; D206-E209 HydrophobicContact CB-CG 4.05Å; D206-E209 PolarHBondContact O-N 3.04Å; D206-I210 WeakPolarHBondContact O-CG1 3.19Å; D206-I210 PolarHBondContact O-N 3.39Å
207P76Confident82.9Confident76 Ų7680.6 Ų80.649%0.49440%0.403SS..Hα-helixtrans-58.9-34.5-176.621.6-31.5000112.5I210 E211P207-I210 WeakPolarHBondContact O-CB 3.2Å; P207-I210 PolarHBondContact O-N 3.25Å; P207-E211 PolarHBondContact O-N 3.26Å
208E74.4Confident82.3Confident161 Ų16181 Ų8175%0.75241%0.412SS*.Hα-helixtrans-66.9-35175.9-61.7179.9-178.500112.6D206 K212D206-E208 PolarHBondContact O-N 2.65Å; E208-K212 WeakPolarHBondContact O-CB 3.41Å; E208-K212 PolarHBondContact O-N 2.86Å; E208-K212 VanDerWaalsContact O-N 3.13Å
209E74.6Confident81.3Confident106 Ų10680.7 Ų80.750%0.49541%0.409SS..Hα-helixtrans-71.9-36.7175.2-66.6-174.6158.400111D206 K212 E213D206-E209 HydrophobicContact CB-CB 4.34Å; D206-E209 HydrophobicContact CB-CG 4.05Å; D206-E209 PolarHBondContact O-N 3.04Å; E209-K212 PolarHBondContact O-N 3.45Å; E209-E213 VanDerWaalsContact O-CB 3.29Å; E209-E213 WeakPolarHBondContact O-CB 3.46Å; E209-E213 VanDerWaalsContact O-CG 3.27Å; E209-E213 WeakPolarHBondContact O-CG 3.38Å; E209-E213 PolarHBondContact O-N 3.43Å
210I75.4Confident80.3Confident48 Ų4886.8 Ų86.825%0.24643%0.433CS..Hα-helixtrans-60.5-51174.5-62.6169.6000110R205 D206 P207 K212 E213 E214R205-I210 HydrophobicContact CB-CD1 3.86Å; R205-I210 HydrophobicContact CB-CG1 3.73Å; D206-I210 WeakPolarHBondContact O-CG1 3.19Å; D206-I210 PolarHBondContact O-N 3.39Å; P207-I210 WeakPolarHBondContact O-CB 3.2Å; P207-I210 PolarHBondContact O-N 3.25Å; I210-K212 VanDerWaalsContact C-N 3.3Å; I210-K212 PolarHBondContact O-N 3.28Å; I210-E213 PolarHBondContact O-N 2.87Å; I210-E214 HydrophobicContact CG2-CG 4.2Å; I210-E214 VanDerWaalsContact CG2-OE1 3.27Å; I210-E214 WeakPolarHBondContact CG2-OE1 3.31Å; I210-E214 VanDerWaalsContact O-CB 3.31Å; I210-E214 WeakPolarHBondContact O-CB 3.19Å; I210-E214 VanDerWaalsContact O-CG 3.26Å; I210-E214 WeakPolarHBondContact O-CG 3.36Å; I210-E214 PolarHBondContact O-N 3.41Å
211E77.9Confident79.4Confident117 Ų11785.5 Ų85.555%0.54743%0.433SS..Hα-helixtrans-60.1-41.3179.7-72.2178.6-174.600111.7P207 Q215P207-E211 PolarHBondContact O-N 3.26Å; E211-Q215 VanDerWaalsContact O-CB 3.31Å; E211-Q215 WeakPolarHBondContact O-CB 3.42Å; E211-Q215 WeakPolarHBondContact O-CG 3.27Å; E211-Q215 PolarHBondContact O-N 3.46Å
212K80Confident78.3Confident154 Ų15485.7 Ų85.767%0.6744%0.437SS*.Hα-helixtrans-69.7-38.9178.3-170.5177.1-178.5178.80112.9E208 E209 I210 A216E208-K212 WeakPolarHBondContact O-CB 3.41Å; E208-K212 PolarHBondContact O-N 2.86Å; E208-K212 VanDerWaalsContact O-N 3.13Å; E209-K212 PolarHBondContact O-N 3.45Å; I210-K212 VanDerWaalsContact C-N 3.3Å; I210-K212 PolarHBondContact O-N 3.28Å; K212-A216 VanDerWaalsContact O-CB 3.27Å; K212-A216 WeakPolarHBondContact O-CB 3.37Å; K212-A216 PolarHBondContact O-N 3.05Å
213E76.7Confident76.9Confident108 Ų10889.8 Ų89.851%0.50546%0.462SS..Hα-helixtrans-68.9-38.9175.3-76.8-177.8172.600111.8R205 E209 I210 A216 A217R205-E213 IonicContact NH1-OE2 2.75Å; E209-E213 VanDerWaalsContact O-CB 3.29Å; E209-E213 WeakPolarHBondContact O-CB 3.46Å; E209-E213 VanDerWaalsContact O-CG 3.27Å; E209-E213 WeakPolarHBondContact O-CG 3.38Å; E209-E213 PolarHBondContact O-N 3.43Å; I210-E213 PolarHBondContact O-N 2.87Å; E213-A216 PolarHBondContact O-N 3.4Å; E213-A217 WeakPolarHBondContact O-CB 3.4Å; E213-A217 PolarHBondContact O-N 2.59Å
214E78.6Confident75.1Confident124 Ų12495.9 Ų95.958%0.57949%0.488SS*.Hα-helixtrans-67.3-41.8175.5-74.6178.1179.400111.3I210 A217 A218I210-E214 HydrophobicContact CG2-CG 4.2Å; I210-E214 VanDerWaalsContact CG2-OE1 3.27Å; I210-E214 WeakPolarHBondContact CG2-OE1 3.31Å; I210-E214 VanDerWaalsContact O-CB 3.31Å; I210-E214 WeakPolarHBondContact O-CB 3.19Å; I210-E214 VanDerWaalsContact O-CG 3.26Å; I210-E214 WeakPolarHBondContact O-CG 3.36Å; I210-E214 PolarHBondContact O-N 3.41Å; E214-A217 PolarHBondContact O-N 3.43Å; E214-A218 VanDerWaalsContact O-CB 3.3Å; E214-A218 WeakPolarHBondContact O-CB 3.46Å; E214-A218 PolarHBondContact O-N 3.25Å
215Q72.1Confident73.5Confident119 Ų119100.6 Ų100.656%0.55651%0.512SS*.Hα-helixtrans-61.7-46.9171.7-74.6168.315.900111.2E211 A217 A218 E219E211-Q215 VanDerWaalsContact O-CB 3.31Å; E211-Q215 WeakPolarHBondContact O-CB 3.42Å; E211-Q215 WeakPolarHBondContact O-CG 3.27Å; E211-Q215 PolarHBondContact O-N 3.46Å; Q215-A217 VanDerWaalsContact C-N 3.31Å; Q215-A217 PolarHBondContact O-N 3.36Å; Q215-A218 PolarHBondContact O-N 3.06Å; Q215-E219 WeakPolarHBondContact O-CB 3.47Å; Q215-E219 WeakPolarHBondContact O-CG 3.32Å; Q215-E219 PolarHBondContact O-N 2.97Å
216A77.7Confident71.8Confident34 Ų34101.6 Ų101.628%0.28152%0.521SS..Hα-helixtrans-66.4-31.7177.200000112.7K212 E213 K220K212-A216 VanDerWaalsContact O-CB 3.27Å; K212-A216 WeakPolarHBondContact O-CB 3.37Å; K212-A216 PolarHBondContact O-N 3.05Å; E213-A216 PolarHBondContact O-N 3.4Å; A216-K220 VanDerWaalsContact O-CB 3.3Å; A216-K220 WeakPolarHBondContact O-CB 3.47Å; A216-K220 WeakPolarHBondContact O-CD 3.5Å; A216-K220 WeakPolarHBondContact O-CG 3.25Å; A216-K220 PolarHBondContact O-N 3.4Å
217A81.9Confident69.9Low56 Ų56107.2 Ų107.246%0.46354%0.543SS..Hα-helixtrans-72.5-39.1174.400000111.4E213 E214 Q215 K220 A221E213-A217 WeakPolarHBondContact O-CB 3.4Å; E213-A217 PolarHBondContact O-N 2.59Å; E214-A217 PolarHBondContact O-N 3.43Å; Q215-A217 VanDerWaalsContact C-N 3.31Å; Q215-A217 PolarHBondContact O-N 3.36Å; A217-K220 PolarHBondContact O-N 3.23Å; A217-A221 WeakPolarHBondContact O-CB 3.45Å; A217-A221 PolarHBondContact O-N 3.33Å
218A77.8Confident68.4Low53 Ų53111 Ų11144%0.43855%0.554SS.*Hα-helixtrans-64-46.6173.100000110.9E214 Q215 K220 A221 V222E214-A218 VanDerWaalsContact O-CB 3.3Å; E214-A218 WeakPolarHBondContact O-CB 3.46Å; E214-A218 PolarHBondContact O-N 3.25Å; Q215-A218 PolarHBondContact O-N 3.06Å; A218-K220 VanDerWaalsContact C-N 3.35Å; A218-K220 PolarHBondContact O-N 3.03Å; A218-A221 PolarHBondContact O-N 3.42Å; A218-A221 VanDerWaalsContact O-N 3.14Å; A218-V222 VanDerWaalsContact O-CG2 3.3Å; A218-V222 WeakPolarHBondContact O-CG2 3.44Å; A218-V222 PolarHBondContact O-N 3.04Å
219E71.7Confident67.2Low131 Ų131106.5 Ų106.561%0.61255%0.551SS**Hα-helixtrans-58.8-44.8173.3-73.7176.5-179.600111.4Q215 A221 V222 V223Q215-E219 WeakPolarHBondContact O-CB 3.47Å; Q215-E219 WeakPolarHBondContact O-CG 3.32Å; Q215-E219 PolarHBondContact O-N 2.97Å; E219-A221 VanDerWaalsContact C-N 3.31Å; E219-A221 PolarHBondContact O-N 3.15Å; E219-V222 PolarHBondContact O-N 2.63Å; E219-V223 WeakPolarHBondContact O-CB 3.4Å; E219-V223 VanDerWaalsContact O-CG2 3.23Å; E219-V223 WeakPolarHBondContact O-CG2 3.44Å; E219-V223 PolarHBondContact O-N 3.26Å
220K72.8Confident65.4Low153 Ų153109.6 Ų109.667%0.66557%0.566SS**Hα-helixtrans-65.5-31.8175.9-76.3170.7-173.8174.10113.1A216 A217 A218 K224A216-K220 VanDerWaalsContact O-CB 3.3Å; A216-K220 WeakPolarHBondContact O-CB 3.47Å; A216-K220 WeakPolarHBondContact O-CD 3.5Å; A216-K220 WeakPolarHBondContact O-CG 3.25Å; A216-K220 PolarHBondContact O-N 3.4Å; A217-K220 PolarHBondContact O-N 3.23Å; A218-K220 VanDerWaalsContact C-N 3.35Å; A218-K220 PolarHBondContact O-N 3.03Å; K220-K224 WeakPolarHBondContact O-CB 3.13Å; K220-K224 PolarHBondContact O-N 2.97Å
221A71.7Confident63.5Low52 Ų52118 Ų11843%0.4360%0.595SS.*Hα-helixtrans-71.9-44.917600000111A217 A218 E219 V223 K224 E225A217-A221 WeakPolarHBondContact O-CB 3.45Å; A217-A221 PolarHBondContact O-N 3.33Å; A218-A221 PolarHBondContact O-N 3.42Å; A218-A221 VanDerWaalsContact O-N 3.14Å; E219-A221 VanDerWaalsContact C-N 3.31Å; E219-A221 PolarHBondContact O-N 3.15Å; A221-V223 PolarHBondContact O-N 2.68Å; A221-K224 WeakPolarHBondContact O-CB 3.38Å; A221-K224 PolarHBondContact O-N 3.08Å; A221-K224 VanDerWaalsContact O-N 3.12Å; A221-E225 PolarHBondContact O-N 3.45Å
222V69.3Low61.7Low74 Ų74118.7 Ų118.745%0.44861%0.606SS.*Hα-helixtrans-60.8-45.5174.8174.70000110.7A218 E219 K224 E225 E226A218-V222 VanDerWaalsContact O-CG2 3.3Å; A218-V222 WeakPolarHBondContact O-CG2 3.44Å; A218-V222 PolarHBondContact O-N 3.04Å; E219-V222 PolarHBondContact O-N 2.63Å; V222-K224 VanDerWaalsContact C-N 3.28Å; V222-K224 PolarHBondContact O-N 3.27Å; V222-E225 PolarHBondContact O-N 3.23Å; V222-E225 VanDerWaalsContact O-N 3.17Å; V222-E226 HydrophobicContact CG1-CG 4.47Å; V222-E226 WeakPolarHBondContact O-CG 3.19Å; V222-E226 PolarHBondContact O-N 3.2Å
223V62.8Low59.6Low89 Ų89114.6 Ų114.654%0.53960%0.602SS.*Hα-helixtrans-64.1-32.4175.6172.20000112E219 A221 F227E219-V223 WeakPolarHBondContact O-CB 3.4Å; E219-V223 VanDerWaalsContact O-CG2 3.23Å; E219-V223 WeakPolarHBondContact O-CG2 3.44Å; E219-V223 PolarHBondContact O-N 3.26Å; A221-V223 PolarHBondContact O-N 2.68Å; V223-F227 WeakPolarHBondContact O-CB 3.15Å; V223-F227 PolarHBondContact O-N 3.35Å
224K56.7Low57.9Low151 Ų151115.5 Ų115.566%0.65762%0.617SS**Hα-helixtrans-70-37.6174.3-117.4-179.6176.6-179.30112.4K220 A221 V222 Q228K220-K224 WeakPolarHBondContact O-CB 3.13Å; K220-K224 PolarHBondContact O-N 2.97Å; A221-K224 WeakPolarHBondContact O-CB 3.38Å; A221-K224 PolarHBondContact O-N 3.08Å; A221-K224 VanDerWaalsContact O-N 3.12Å; V222-K224 VanDerWaalsContact C-N 3.28Å; V222-K224 PolarHBondContact O-N 3.27Å; K224-Q228 WeakPolarHBondContact O-CG 3.46Å; K224-Q228 PolarHBondContact O-N 2.83Å; K224-Q228 VanDerWaalsContact O-N 3.12Å
225E52.4Low55.9Low146 Ų146119 Ų11968%0.68263%0.633SS**Hα-helixtrans-71.8-39.7175.6-72.6-169.5165.200111.6A221 V222 Q228 G229A221-E225 PolarHBondContact O-N 3.45Å; V222-E225 PolarHBondContact O-N 3.23Å; V222-E225 VanDerWaalsContact O-N 3.17Å; E225-Q228 PolarHBondContact O-N 3.25Å; E225-G229 PolarHBondContact O-N 3.16Å
226E49Very low54.1Low126 Ų126117.9 Ų117.959%0.58964%0.644SS**Hα-helixtrans-62.6-42.2172-73.9179.8164.900111.5V222 Q228 G229 E230V222-E226 HydrophobicContact CG1-CG 4.47Å; V222-E226 WeakPolarHBondContact O-CG 3.19Å; V222-E226 PolarHBondContact O-N 3.2Å; E226-Q228 VanDerWaalsContact C-N 3.25Å; E226-Q228 PolarHBondContact O-N 3.22Å; E226-G229 PolarHBondContact O-N 2.82Å; E226-G229 VanDerWaalsContact O-N 3.12Å; E226-E230 PolarHBondContact O-N 3.22Å
227F39.4Very low52Low174 Ų174125.5 Ų125.576%0.76367%0.674SS**Hα-helixtrans-66.3-24.7175.1-171.9-100.8000113.4V223V223-F227 WeakPolarHBondContact O-CB 3.15Å; V223-F227 PolarHBondContact O-N 3.35Å
228Q44Very low49.5Very low155 Ų155131.1 Ų131.172%0.72469%0.688SS**Hα-helixtrans-84.7-22.8172.5-75.9-178.9-3.100113.2K224 E225 E226K224-Q228 WeakPolarHBondContact O-CG 3.46Å; K224-Q228 PolarHBondContact O-N 2.83Å; K224-Q228 VanDerWaalsContact O-N 3.12Å; E225-Q228 PolarHBondContact O-N 3.25Å; E226-Q228 VanDerWaalsContact C-N 3.25Å; E226-Q228 PolarHBondContact O-N 3.22Å
229G48Very low47.5Very low66 Ų66135 Ų13568%0.6871%0.707SS**Hα-helixtrans-77.9-22.917600000114.4E225 E226E225-G229 PolarHBondContact O-N 3.16Å; E226-G229 PolarHBondContact O-N 2.82Å; E226-G229 VanDerWaalsContact O-N 3.12Å
230E37.6Very low45.5Very low172 Ų172136.5 Ų136.580%0.80471%0.714SS**  trans-110.149.7-173.9-152.8167-166.600113.1E226E226-E230 PolarHBondContact O-N 3.22Å
231W34.8Very low43.8Very low225 Ų225135.1 Ų135.185%0.85272%0.72SS**  trans-119.678.8161.7-158.756.1000110.9
232T40.7Very low41.9Very low130 Ų130141.5 Ų141.580%0.79874%0.741SS**  trans-94.1111.1158.938.90000108.5
233A35.5Very low40.1Very low69 Ų69144.2 Ų144.257%0.5776%0.758SS**  trans-64.6131.6176.400000110.4Q235A233-Q235 PolarHBondContact O-N 3.2Å
234P41.1Very low38.5Very low126 Ų126145.2 Ų145.282%0.81876%0.764SS**  trans-72.1121.9174.227.4-30000109.5A236P234-A236 PolarHBondContact O-N 3.2Å
235Q36.2Very low37.5Very low198 Ų198144.5 Ų144.593%0.92577%0.768SS**  trans-70.3114.7167.5-78.2-176.9-32.200108.9A233A233-Q235 PolarHBondContact O-N 3.2Å
236A34.2Very low36.5Very low95 Ų95149.7 Ų149.779%0.78578%0.781SS**  trans-92.7111.716800000109.3P234 F238P234-A236 PolarHBondContact O-N 3.2Å; A236-F238 PolarHBondContact O-N 3.28Å
237E34.3Very low35.9Very low194 Ų194148.1 Ų148.191%0.90778%0.784SS**  trans-68.3121164.7-75.2178.815300109.2
238F29.1Very low35.5Very low174 Ų174149.7 Ų149.776%0.76379%0.794SS**  trans-121.9102172.7-155-92.3000109A236 Q240A236-F238 PolarHBondContact O-N 3.28Å; F238-Q240 HydrophobicContact CD1-CG 3.72Å; F238-Q240 HydrophobicContact CE1-CG 3.64Å
239T35.6Very low34.9Very low135 Ų135145.7 Ų145.783%0.82879%0.794SS**  trans-80.3127.1168.1300000109.3
240Q30.9Very low34Very low163 Ų163149.4 Ų149.476%0.76280%0.803SS**  trans-109.7135.7169-74.4-1710.900111F238F238-Q240 HydrophobicContact CD1-CG 3.72Å; F238-Q240 HydrophobicContact CE1-CG 3.64Å
241P35.9Very low33.7Very low124 Ų124145.8 Ų145.881%0.80580%0.803SS**  trans-87.3152.9174.435-31.8000112.5
242E32.2Very low33.6Very low186 Ų186141.5 Ų141.587%0.86980%0.801SS**  trans-75.7129.8-179-178.3-179-165.400112.9
243V31Very low33.3Very low130 Ų130140.7 Ų140.779%0.78880%0.798SS**  trans-147.9107.9157.7179.10000112.1
244T28.9Very low33.2Very low110 Ų110142 Ų14268%0.67580%0.803SS**  trans16.1118141.462.40000122.9
245D35.7Very low32.7Very low137 Ų137142.5 Ų142.573%0.73380%0.803SS**  trans3123.5138-164.826.1000120
246W32.8Very low32.7Very low255 Ų255137.9 Ų137.997%0.96679%0.791SS**  trans-142.4117.7152.6-91.878.6000109.1
247S36.2Very low32.6Very low93 Ų93141.5 Ų141.565%0.6580%0.795SS**  trans-105142.3179.450.10000111.3
248E31.6Very low32.5Very low206 Ų206141.1 Ų141.196%0.96379%0.793SS**  trans-166.7136.3146.3-111.9172.6-170.200110.3
249G30.8Very low32.9Very low71 Ų71141.1 Ų141.173%0.73280%0.796SS**  trans-100.4163.8-153.200000116.8
250V29.9Very low32.5Very low145 Ų145144.6 Ų144.688%0.87980%0.8SS**  trans-143122.4142.6178.70000107.7
251A29.7Very low32.8Very low95 Ų95141.9 Ų141.979%0.78580%0.796SS**  trans-87.3138.4178.200000111.3
252V33.3Very low32.4Very low135 Ų135141 Ų14182%0.81880%0.8SS**  trans-139.7118.9154.2-154.20000108.4
253P35.5Very low32.2Very low114 Ų114137 Ų13774%0.7480%0.799SS**  trans-91.3160.7170.336-30.1000109.9
254S33.1Very low31.9Very low97 Ų97136.7 Ų136.768%0.67880%0.802SS**  cis-176.4135.5-4.4460000108.1
255V30.8Very low31.7Very low135 Ų135136.3 Ų136.382%0.81881%0.81SS**  trans72.2152.5134.7-1800000118.9
256P36.1Very low31.1Very low102 Ų102134.8 Ų134.866%0.66282%0.817SS**  cis-133.3155.5-25.131.8-14.2000114.7
257I30.8Very low30.8Very low171 Ų171131 Ų13188%0.87781%0.807SS**  trans-135.4124.1137.8-66.5-175.5000108.3
258Q33.9Very low30.1Very low185 Ų185136.2 Ų136.286%0.86481%0.812SS**  trans-66.4129.2-179.2-71.7172.6-37.800111.8
259Q36.3Very low29.6Very low174 Ų174131.7 Ų131.781%0.81380%0.799SS**  trans-115.9142.9151.4-82.8179.6-23.100107.4
260F26.8Very low29.3Very low208 Ų208135.4 Ų135.491%0.91280%0.801SS**  trans177.8159.3148.5-88.1-51.2000108.5
261P36.8Very low28.9Very low106 Ų106134.2 Ų134.269%0.68879%0.794SS**  -138.2170.4-62.226-3.9000113.4
262A28.8Very low28.6Very low107 Ų107134.8 Ų134.888%0.88479%0.793SS**  trans-77.7138.9155.700000110.2
263A27.5Very low28.1Very low102 Ų102133.1 Ų133.184%0.84379%0.793SS**  trans-139.9119.8168.100000110.1
264S24.2Very low27.7Very low122 Ų122132 Ų13285%0.85379%0.794SS**  trans-136.3119.7155.869.90000108.8
265A24.7Very low27.8Very low103 Ų103133 Ų13385%0.85180%0.797SS**  trans-176.7116.6151.800000108.9
266A24.6Very low27.6Very low105 Ų105132 Ų13287%0.86879%0.791SS**  trans179.7106.4134.500000112.7
267K24.5Very low27.1Very low175 Ų175136 Ų13676%0.76180%0.798SS**  trans5.6137.5139.7-83.4171.9178.2168.10120.8
268R22.1Very low26.8Very low203 Ų203134 Ų13477%0.76679%0.794SS**  114.1116.2115.1-96.7178.3-175159.7-1.6119.5
269T21.7Very low26.4Very low111 Ų111128.6 Ų128.668%0.68179%0.789SS**  72.5123.6129.1510000122.9
270L24.6Very low26.1Very low149 Ų149130 Ų13078%0.7880%0.795SS**  86.4132.2129.4-77.2164.9000120.3
271T22Very low25.9Very low119 Ų119125.9 Ų125.973%0.7379%0.787SS**  trans94.8116.3144.254.50000121.2
272S23.3Very low25.5Very low108 Ų108131.5 Ų131.576%0.75580%0.796SS**  72.6121.312970.80000122.3
273A23.3Very low25.6Very low99 Ų99132.3 Ų132.382%0.81879%0.79SS**  69.6125.9127.100000120.5
274A25.6Very low25.5Very low92 Ų92131 Ų13176%0.7679%0.786SS**  trans-58.5164168.500000112.9
275P35.8Very low26.3Very low117 Ų117130.8 Ų130.876%0.7678%0.782SS**  -152.1144.580.741.3-21000115.1
276V26.4Very low26.5Very low114 Ų114133.1 Ų133.169%0.69178%0.78SS**  92.3130.190.1173.90000116.9
277K26.5Very low26.5Very low185 Ų185138.2 Ų138.280%0.80478%0.783SS**  trans75.4149.4151.2-79.2168.1-162.1-176.60119.6
278T23.7Very low26.6Very low130 Ų130136.4 Ų136.480%0.79878%0.781SS**  cis-166.6140.410.711.30000107.9
279G25.9Very low27Very low72 Ų72135 Ų13574%0.74279%0.788SS**  102120.411200000110.6
280E29.5Very low27.4Very low204 Ų204134.9 Ų134.995%0.95379%0.79SS**  -155.6147.281.9-85171.7178.900113.1
281T23.4Very low27.7Very low121 Ų121135.3 Ų135.374%0.74279%0.793SS**  trans-77.8150.4-17940.90000114.2
282Y28.4Very low28.3Very low223 Ų223135.5 Ų135.588%0.87580%0.796SS**  trans-157.5109.7134.9-98.3-74.9000112.5
283T29.7Very low28.6Very low124 Ų124134.9 Ų134.976%0.76180%0.798SS**  trans32.5122.3140.560.80000122.2
284G26Very low29.1Very low74 Ų74135.2 Ų135.276%0.76380%0.8SS**  trans-74.4-160.7171.800000115.9
285P40.7Very low29.4Very low119 Ų119140 Ų14077%0.77381%0.807SS**  -142.2158.650.238.2-18.7000118.9
286L28.2Very low29Very low151 Ų151142 Ų14279%0.79181%0.811SS**  trans49.9110.3139.5-72.6159.2000121.8
287F25.4Very low29.4Very low212 Ų212147 Ų14793%0.9382%0.818SS**  -163.4134.5106.5-126.6-100.9000112.1
288D27Very low29.7Very low137 Ų137142.6 Ų142.673%0.73381%0.81SS**  trans-64.8146.4-178.4-98.7-42.8000114.4
289L31.1Very low30.3Very low173 Ų173142.9 Ų142.991%0.90681%0.812SS**  trans-162.2111.1135.8-103.4160000110.4
290C28.4Very low30.7Very low109 Ų109147 Ų14774%0.73681%0.812SS**PPolyproline II helixtrans-80.2131.7-178.7-1780000111.5
291L30.9Very low30.9Very low159 Ų159143.2 Ų143.283%0.83281%0.805SS**PPolyproline II helixtrans-85.4135.5161.5-91.794.4000109.4
292P35.5Very low31.4Very low123 Ų123142 Ų14280%0.79981%0.807SS**PPolyproline II helixtrans-90.3138.1162.631.8-28.3000112.3
293A29.5Very low31.6Very low95 Ų95138 Ų13879%0.78581%0.806SS**PPolyproline II helixtrans-77.9164.3175.200000112.6
294A33.9Very low31.8Very low105 Ų105139.4 Ų139.487%0.86881%0.809SS**PPolyproline II helixtrans-67.2141.8175.200000112.6
295E31.6Very low32.1Very low193 Ų193142.4 Ų142.490%0.90281%0.808SS**  trans-120.6128.3169.3-75.1-175.7163.300111.1
296D27.5Very low31.7Very low160 Ų160148.8 Ų148.886%0.85682%0.817SS**  trans-60128.9173.7-96.6-43.3000112.5S298D296-S298 PolarHBondContact O-N 3.07Å
297W34.3Very low32Very low217 Ų217146.4 Ų146.482%0.82281%0.813SS**  trans-100.561.2175.4-155.6-65.7000112.1
298S33.5Very low32.4Very low93 Ų93142.2 Ų142.265%0.6581%0.805SS**  trans-131.765.1174.1700000112.7D296D296-S298 PolarHBondContact O-N 3.07Å
299T35.8Very low32.8Very low137 Ų137140 Ų14084%0.8481%0.805SS**  trans-172.1105.3149.339.60000109.7
300Q34.9Very low32.9Very low158 Ų158137.8 Ų137.874%0.73880%0.801SS**  trans-129.9131.6155-77.5-167.5-25.800108.9
301P33.5Very low33.3Very low124 Ų124139.1 Ų139.181%0.80581%0.806SS**  trans-77141.6176.931.1-32.1000110.9
302A32.7Very low33.5Very low96 Ų96136.2 Ų136.279%0.79381%0.806SS**  trans-64.7134.7171.500000111.2
303T34.3Very low33.4Very low139 Ų139139.3 Ų139.385%0.85381%0.809SS**  trans-133.7118.3156.352.80000109
304D32.7Very low33.6Very low154 Ų154139.8 Ų139.882%0.82481%0.813SS**  trans-65.5170.9175.8-74.1-56.1000114.1
305D32.4Very low33.8Very low136 Ų136139.8 Ų139.873%0.72781%0.807SS**  trans85106.5162-89.6-25.3000118.2
306W32.3Very low33.9Very low253 Ų253137.8 Ų137.896%0.95880%0.802SS**  -163.285.9122.7-101.725.5000110.9
307S35.1Very low34.3Very low101 Ų101141.4 Ų141.471%0.70680%0.804SS**  trans-90.5103.3152.256.20000108.8
308T34.2Very low34.3Very low124 Ų124134.4 Ų134.476%0.76180%0.799SS**  trans-163.9114150.829.20000109.6
309A33.6Very low34.4Very low91 Ų91133.4 Ų133.475%0.75280%0.803SS**  trans-75.4139.817000000110.2
310P34.1Very low34.5Very low126 Ų126133.1 Ų133.182%0.81880%0.802SS**  trans-92.1115.216331.1-25.2000110.2A312P310-A312 PolarHBondContact O-N 3.27Å
311T36.2Very low34.9Very low137 Ų137132.5 Ų132.584%0.8481%0.809SS**  trans-62.8110.7167.8-460000109.6
312A35.5Very low35.3Very low99 Ų99131.9 Ų131.982%0.81881%0.808SS**PPolyproline II helixtrans-87.2123.2169.200000109.7P310P310-A312 PolarHBondContact O-N 3.27Å
313Q34.6Very low35.9Very low187 Ų187134.2 Ų134.287%0.87481%0.807SS**PPolyproline II helixtrans-64.1140.2-179.8-70.2172.9-48.500112S315Q313-S315 PolarHBondContact O-N 3.42Å
314A33.2Very low36.3Very low106 Ų106138.9 Ų138.988%0.87681%0.809SS**PPolyproline II helixtrans-66.1120.2168.900000110.2
315S37.2Very low36.8Very low104 Ų104140.1 Ų140.173%0.72783%0.83SS**  trans-91.8114165.142.90000109.6Q313 W317Q313-S315 PolarHBondContact O-N 3.42Å; S315-W317 PolarHBondContact O-N 3.47Å
316D34.9Very low37Very low151 Ų151140.3 Ų140.381%0.80784%0.835SS**  trans-52.8121.9168.3-171.120000111.2
317W35.8Very low37.3Very low237 Ų237134.4 Ų134.490%0.89883%0.828SS**  trans-131.777.4163.8-92.284000108.4S315 G319S315-W317 PolarHBondContact O-N 3.47Å; W317-G319 PolarHBondContact O-N 3.44Å
318G33.3Very low37.4Very low69 Ų69136.2 Ų136.271%0.71184%0.835SS**  trans-65.4116.5156.300000110.3
319G35.3Very low37.6Very low72 Ų72136.9 Ų136.974%0.74284%0.839SS**  trans-123.2106.3171.900000109.3W317W317-G319 PolarHBondContact O-N 3.44Å
320T38.4Very low37.8Very low132 Ų132139.8 Ų139.881%0.8185%0.845SS**  trans-54.1139.3-17741.40000114.7
321T42.7Very low38.1Very low145 Ų145140.7 Ų140.789%0.8985%0.847SS**  trans-53.2126.7156.246.50000111.2
322S43.3Very low38.2Very low111 Ų111141 Ų14178%0.77685%0.847SS**  trans-138.1114.6153.857.20000108.6
323D45.4Very low38.4Very low145 Ų145144.2 Ų144.278%0.77585%0.849SS**  trans-43.8152.7157.5-70.4-54.3000111.4
324W41.3Very low38.8Very low236 Ų236140.7 Ų140.789%0.89485%0.847SS**  171.6126.3115-95.157000109.3
325S44.2Very low39.3Very low180 Ų180143.8 Ų143.8100%1.25985%0.845SS**  trans48.30141.8-37.30000120.1

Retrieved 325 of 325 residues in 240.2 ms (Link to these results)

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