A0A077YZW5_TRITR Loading...

Phosphomannomutase

Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions.

AlphaFold DB , UniProt , Accession A0A077YZW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 250 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
1M50.2Low86.7Confident241 Ų24163.2 Ų63.2100%1.18735%0.354SS*.  0135.70-67.3176.8-165.500107
2A66.1Low87.6Confident99 Ų9958.1 Ų58.182%0.81833%0.325SS*.PPolyproline II helixtrans-62.8143.317100000108.7
3L73.4Confident88.2Confident164 Ų16457.5 Ų57.586%0.85932%0.321SS*.PPolyproline II helixtrans-58.4140.1173.5-74.9163.5000109K5L3-K5 PolarHBondContact O-N 3.44Å
4P80.5Confident88.8Confident62 Ų6253.8 Ų53.840%0.40330%0.302SS..PPolyproline II helixtrans-57.4139178.723.5-31.8000109.8V6 S206 E207P4-V6 WeakPolarHBondContact O-CG2 3.38Å; P4-V6 PolarHBondContact O-N 3.37Å; P4-S206 VanDerWaalsContact CA-OG 3.31Å; P4-S206 WeakPolarHBondContact CA-OG 3.3Å; P4-S206 WeakPolarHBondContact CB-OG 3.1Å; P4-E207 HydrophobicContact CB-CB 4.17Å; P4-E207 WeakPolarHBondContact CG-OE2 3.2Å
5K94.3Very high89.4Confident89 Ų8950.2 Ų50.239%0.38728%0.282SS..  trans-81.8111.7172.7-166.8-174.1174.6-171.20106.9L3 D203 G204 F205 S206 E207L3-K5 PolarHBondContact O-N 3.44Å; K5-D203 PolarHBondContact NZ-O 3.28Å; K5-D203 IonicContact NZ-OD2 3.82Å; K5-G204 WeakPolarHBondContact CB-O 3.43Å; K5-F205 HydrophobicContact CB-CD1 4.25Å; K5-F205 HydrophobicContact CD-CD1 3.96Å; K5-F205 HydrophobicContact CD-CE1 3.96Å; K5-F205 HydrophobicContact CD-CG 4.38Å; K5-F205 HydrophobicContact CD-CZ 4.36Å; K5-F205 HydrophobicContact CG-CD1 3.66Å; K5-F205 HydrophobicContact CG-CE1 3.74Å; K5-F205 HydrophobicContact CG-CG 4.46Å; K5-F205 WeakPolarHBondContact O-CA 3.46Å; K5-S206 PolarHBondContact N-OG 2.83Å; K5-S206 PolarHBondContact O-N 2.89Å; K5-E207 PolarHBondContact O-N 2.75Å
6V96.9Very high90Very high35 Ų3547.1 Ų47.121%0.21226%0.264CS..EExtended strand (participates in β ladder)trans-97.3144.4-171.6-168.90000111.1P4 V38 P39 F205 E207P4-V6 WeakPolarHBondContact O-CG2 3.38Å; P4-V6 PolarHBondContact O-N 3.37Å; V6-V38 HydrophobicContact CB-CG2 4.18Å; V6-V38 HydrophobicContact CG1-CG2 3.96Å; V6-P39 WeakPolarHBondContact O-CD 3.44Å; V6-F205 WeakPolarHBondContact O-CE1 3.34Å; V6-E207 CarbonylContact C-O 3.59Å; V6-E207 VanDerWaalsContact CA-O 3.32Å; V6-E207 WeakPolarHBondContact CA-O 3.31Å; V6-E207 HydrophobicContact CB-CB 4.41Å; V6-E207 HydrophobicContact CG1-CB 4.29Å; V6-E207 HydrophobicContact CG1-CG 4.13Å; V6-E207 HydrophobicContact CG2-CB 4.07Å; V6-E207 HydrophobicContact CG2-CG 4.35Å
7I98Very high90.4Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-143.9147.6169.4-172.4163.7000110.9P39 A41 Y68 L200 F205 E207 I208 H209I7-P39 HydrophobicContact CB-CB 4.35Å; I7-P39 HydrophobicContact CD1-CB 4.15Å; I7-P39 HydrophobicContact CG1-CB 3.95Å; I7-P39 WeakPolarHBondContact CG1-O 3.32Å; I7-A41 HydrophobicContact CD1-CB 3.84Å; I7-A41 HydrophobicContact CG1-CB 4.3Å; I7-Y68 HydrophobicContact CD1-CD2 3.88Å; I7-Y68 HydrophobicContact CD1-CE2 4.24Å; I7-L200 HydrophobicContact CD1-CD2 3.84Å; I7-L200 HydrophobicContact CG2-CD1 4.28Å; I7-F205 HydrophobicContact CB-CD1 3.58Å; I7-F205 HydrophobicContact CB-CE1 3.68Å; I7-F205 HydrophobicContact CB-CG 4.1Å; I7-F205 HydrophobicContact CB-CZ 4.28Å; I7-F205 HydrophobicContact CD1-CD2 4.42Å; I7-F205 HydrophobicContact CD1-CE1 4.22Å; I7-F205 HydrophobicContact CD1-CE2 4.05Å; I7-F205 HydrophobicContact CD1-CZ 3.93Å; I7-F205 HydrophobicContact CG1-CE1 4.41Å; I7-F205 HydrophobicContact CG2-CB 3.94Å; I7-F205 HydrophobicContact CG2-CD1 3.69Å; I7-F205 HydrophobicContact CG2-CD2 4.37Å; I7-F205 HydrophobicContact CG2-CE1 4.27Å; I7-F205 HydrophobicContact CG2-CG 3.75Å; I7-E207 PolarHBondContact N-O 3.4Å; I7-I208 HydrophobicContact CG2-CB 4.23Å; I7-I208 HydrophobicContact CG2-CG1 3.9Å; I7-I208 HydrophobicContact CG2-CG2 4.1Å; I7-H209 PolarHBondContact O-N 3.35Å
8C98.6Very high90.8Very high0 Ų045.5 Ų45.50%025%0.252CS..EExtended strand (participates in β ladder)trans-104.4119.9168.2-62.40000110.6F10 P39 L40 A41 F211 F249C8-F10 HydrophobicContact CB-CE1 4.33Å; C8-F10 HydrophobicContact CB-CE2 3.53Å; C8-F10 HydrophobicContact CB-CZ 3.41Å; C8-F10 VanDerWaalsContact CB-CZ 3.41Å; C8-F10 WeakPolarHBondContact O-CE2 3.49Å; C8-P39 PolarHBondContact N-O 3.04Å; C8-L40 HydrophobicContact CB-CD2 4.02Å; C8-L40 CarbonylContact O-C 3.54Å; C8-L40 WeakPolarHBondContact O-CA 3.49Å; C8-A41 PolarHBondContact O-N 3.44Å; C8-F211 HydrophobicContact CB-CE2 4.3Å; C8-F249 WeakPolarHBondContact SG-CE2 3.4Å; C8-F249 WeakPolarHBondContact SG-CZ 3.48Å
9L98.8Very high90.8Very high0 Ų047.5 Ų47.50%027%0.267CS..EExtended strand (participates in β ladder)trans-103.7130.7175.8-178.563.6000109.2A41 V43 F70 L197 L200 I208 H209 F210 F211 L224L9-A41 CarbonylContact C-O 3.52Å; L9-A41 WeakPolarHBondContact CA-O 3.17Å; L9-A41 HydrophobicContact CD1-CB 3.57Å; L9-V43 HydrophobicContact CD1-CB 3.89Å; L9-V43 HydrophobicContact CD1-CG1 3.69Å; L9-V43 HydrophobicContact CD2-CG1 3.96Å; L9-V43 HydrophobicContact CG-CB 4.42Å; L9-V43 HydrophobicContact CG-CG1 3.69Å; L9-F70 HydrophobicContact CD1-CD2 4.16Å; L9-F70 HydrophobicContact CD1-CE2 4.42Å; L9-L197 HydrophobicContact CD2-CD2 4.48Å; L9-L200 HydrophobicContact CD2-CD1 4.23Å; L9-I208 HydrophobicContact CB-CG2 4.31Å; L9-H209 PolarHBondContact N-O 2.74Å; L9-F210 HydrophobicContact CB-CD2 4.37Å; L9-F210 HydrophobicContact CD2-CD2 4.16Å; L9-F210 HydrophobicContact CG-CD2 4.05Å; L9-F210 CarbonylContact O-C 3.42Å; L9-F210 VanDerWaalsContact O-CA 3.28Å; L9-F210 WeakPolarHBondContact O-CA 3.12Å; L9-F211 PolarHBondContact O-N 3.34Å; L9-L224 HydrophobicContact CD2-CD1 4.47Å; L9-L224 HydrophobicContact CD2-CD2 3.8Å
10F98.8Very high90.7Very high0 Ų056 Ų560%030%0.295CS..EExtended strand (participates in β ladder)trans-120.5133.4-177.1-55.3-85000110.4C8 L16 L31 L40 A41 L42 V43 F211 T241 L245C8-F10 HydrophobicContact CB-CE1 4.33Å; C8-F10 HydrophobicContact CB-CE2 3.53Å; C8-F10 HydrophobicContact CB-CZ 3.41Å; C8-F10 VanDerWaalsContact CB-CZ 3.41Å; C8-F10 WeakPolarHBondContact O-CE2 3.49Å; F10-L16 HydrophobicContact CB-CD1 3.66Å; F10-L16 HydrophobicContact CB-CD2 4.26Å; F10-L16 HydrophobicContact CB-CG 3.86Å; F10-L16 HydrophobicContact CD1-CD2 3.85Å; F10-L16 HydrophobicContact CD1-CG 4.38Å; F10-L16 HydrophobicContact CD2-CD1 4.43Å; F10-L16 HydrophobicContact CE1-CD2 4.47Å; F10-L16 HydrophobicContact CG-CD1 4.01Å; F10-L16 HydrophobicContact CG-CD2 4.07Å; F10-L16 HydrophobicContact CG-CG 4.2Å; F10-L31 HydrophobicContact CZ-CD2 4.37Å; F10-L40 HydrophobicContact CE2-CB 4.18Å; F10-L40 HydrophobicContact CE2-CD2 3.89Å; F10-L40 HydrophobicContact CE2-CG 4.48Å; F10-L40 HydrophobicContact CZ-CD2 4.26Å; F10-A41 WeakPolarHBondContact CD2-O 3.37Å; F10-A41 PolarHBondContact N-O 3.33Å; F10-L42 HydrophobicContact CB-CD2 4.27Å; F10-L42 CarbonylContact O-C 3.54Å; F10-V43 PolarHBondContact O-N 3.36Å; F10-F211 HydrophobicContact CD1-CB 3.74Å; F10-F211 AromaticContact CD1-CD2 3.67Å; F10-F211 HydrophobicContact CD1-CD2 3.67Å; F10-F211 AromaticContact CD1-CG 3.87Å; F10-F211 HydrophobicContact CD1-CG 3.87Å; F10-F211 HydrophobicContact CE1-CB 4.23Å; F10-F211 AromaticContact CE1-CD2 3.37Å; F10-F211 HydrophobicContact CE1-CD2 3.37Å; F10-F211 AromaticContact CE1-CE2 3.84Å; F10-F211 HydrophobicContact CE1-CE2 3.84Å; F10-F211 AromaticContact CE1-CG 3.81Å; F10-F211 HydrophobicContact CE1-CG 3.81Å; F10-F211 HydrophobicContact CZ-CD2 4.18Å; F10-F211 HydrophobicContact CZ-CE2 4.34Å; F10-T241 HydrophobicContact CD1-CG2 4.12Å; F10-T241 HydrophobicContact CE1-CG2 4.14Å; F10-L245 HydrophobicContact CE1-CD1 3.76Å; F10-L245 HydrophobicContact CE1-CD2 3.89Å; F10-L245 HydrophobicContact CE1-CG 4.22Å; F10-L245 HydrophobicContact CZ-CD1 3.97Å; F10-L245 HydrophobicContact CZ-CD2 3.87Å; F10-L245 HydrophobicContact CZ-CG 4.49Å
11D98.5Very high90.9Very high5 Ų558.9 Ų58.93%0.02731%0.307CS..  trans-59.5160.8149170.159.8000110.8D13 T15 V43 K193 F210 F211D11-D13 PolarHBondContact OD2-N 3.37Å; D11-T15 HydrophobicContact CB-CG2 4.19Å; D11-T15 WeakPolarHBondContact CB-OG1 3.4Å; D11-T15 VanDerWaalsContact O-CB 3.32Å; D11-T15 WeakPolarHBondContact O-CB 3.48Å; D11-T15 WeakPolarHBondContact O-CG2 3.44Å; D11-T15 WeakPolarHBondContact OD2-CB 3.3Å; D11-T15 PolarHBondContact OD2-OG1 2.91Å; D11-V43 WeakPolarHBondContact CA-O 3.32Å; D11-K193 VanDerWaalsContact CB-NZ 3.33Å; D11-K193 IonicContact OD1-NZ 2.87Å; D11-K193 PolarHBondContact OD1-NZ 3.2Å; D11-F210 HydrophobicContact CB-CE2 4.31Å; D11-F210 HydrophobicContact CB-CZ 4.42Å; D11-F211 PolarHBondContact N-O 2.71Å
12V97.6Very high93.1Very high2 Ų252.7 Ų52.71%0.01227%0.273CS..SBendtrans-97.8-65.1-177.3-176.10000111.2G14 T15 L16 T17 L42 V51 Q54 M55V12-G14 PolarHBondContact O-N 3.13Å; V12-T15 PolarHBondContact O-N 2.95Å; V12-L16 PolarHBondContact O-N 2.75Å; V12-T17 PolarHBondContact O-N 3.15Å; V12-T17 VanDerWaalsContact O-N 3.12Å; V12-T17 PolarHBondContact O-OG1 2.92Å; V12-L42 HydrophobicContact CG2-CD2 4.49Å; V12-V51 HydrophobicContact CG2-CG1 4.29Å; V12-Q54 HydrophobicContact CG1-CB 3.99Å; V12-M55 HydrophobicContact CG1-CE 3.64Å
13D95.3Very high94.7Very high51 Ų5148.8 Ų48.827%0.27324%0.238SC..BIsolated β-bridgetrans-87.1109.4-164-169.349000112D11 T15 P19 R20 Q54D11-D13 PolarHBondContact OD2-N 3.37Å; D13-T15 VanDerWaalsContact C-N 3.32Å; D13-P19 WeakPolarHBondContact OD1-CA 3.47Å; D13-R20 PolarHBondContact OD1-N 3.25Å; D13-Q54 PolarHBondContact OD1-NE2 2.87Å
14G96Very high95.8Very high5 Ų545.4 Ų45.45%0.05222%0.218CC..THydrogen-bonded Turntrans95.8-18.6-171.400000113.1V12 T17V12-G14 PolarHBondContact O-N 3.13Å; G14-T17 CarbonylContact C-O 3.59Å; G14-T17 WeakPolarHBondContact CA-O 3.43Å; G14-T17 PolarHBondContact N-O 3.24Å
15T98.5Very high96.6Very high0 Ų047.6 Ų47.60%023%0.23CC..THydrogen-bonded Turntrans-100.8-56.3-179.2-61.80000112.8D11 V12 D13 F211 G212 D213 V235 P238 T241D11-T15 HydrophobicContact CB-CG2 4.19Å; D11-T15 WeakPolarHBondContact CB-OG1 3.4Å; D11-T15 VanDerWaalsContact O-CB 3.32Å; D11-T15 WeakPolarHBondContact O-CB 3.48Å; D11-T15 WeakPolarHBondContact O-CG2 3.44Å; D11-T15 WeakPolarHBondContact OD2-CB 3.3Å; D11-T15 PolarHBondContact OD2-OG1 2.91Å; V12-T15 PolarHBondContact O-N 2.95Å; D13-T15 VanDerWaalsContact C-N 3.32Å; T15-F211 HydrophobicContact CG2-CB 3.93Å; T15-F211 WeakPolarHBondContact CG2-O 3.36Å; T15-G212 WeakPolarHBondContact OG1-CA 3.34Å; T15-D213 PolarHBondContact OG1-N 3.37Å; T15-V235 HydrophobicContact CG2-CG2 3.96Å; T15-P238 WeakPolarHBondContact O-CA 3.45Å; T15-T241 HydrophobicContact CG2-CG2 4.42Å; T15-T241 WeakPolarHBondContact O-CB 3.49Å; T15-T241 PolarHBondContact O-OG1 2.97Å
16L98.4Very high96.6Very high0 Ų050 Ų500%024%0.243CC..THydrogen-bonded Turntrans-101-23.4176-70.4-175.5000112.5F10 V12 I23 L31 L42 M55 F66 T241F10-L16 HydrophobicContact CB-CD1 3.66Å; F10-L16 HydrophobicContact CB-CD2 4.26Å; F10-L16 HydrophobicContact CB-CG 3.86Å; F10-L16 HydrophobicContact CD1-CD2 3.85Å; F10-L16 HydrophobicContact CD1-CG 4.38Å; F10-L16 HydrophobicContact CD2-CD1 4.43Å; F10-L16 HydrophobicContact CE1-CD2 4.47Å; F10-L16 HydrophobicContact CG-CD1 4.01Å; F10-L16 HydrophobicContact CG-CD2 4.07Å; F10-L16 HydrophobicContact CG-CG 4.2Å; V12-L16 PolarHBondContact O-N 2.75Å; L16-I23 HydrophobicContact CB-CD1 4.41Å; L16-L31 HydrophobicContact CD1-CD1 4.12Å; L16-L31 HydrophobicContact CD2-CD1 4.03Å; L16-L31 HydrophobicContact CD2-CD2 4.36Å; L16-L42 HydrophobicContact CD1-CD2 3.36Å; L16-M55 HydrophobicContact CB-CE 4.26Å; L16-M55 HydrophobicContact CD1-SD 4.32Å; L16-F66 HydrophobicContact CD1-CE1 4.29Å; L16-F66 HydrophobicContact CD1-CZ 4.28Å; L16-T241 HydrophobicContact CD2-CG2 4.06Å
17T97.8Very high96.6Very high1 Ų148.7 Ų48.71%0.00624%0.235CC..BIsolated β-bridgetrans-122.7157.3176.371.60000110.9V12 G14 Q21 I23 Q54 M55 P238V12-T17 PolarHBondContact O-N 3.15Å; V12-T17 VanDerWaalsContact O-N 3.12Å; V12-T17 PolarHBondContact O-OG1 2.92Å; G14-T17 CarbonylContact C-O 3.59Å; G14-T17 WeakPolarHBondContact CA-O 3.43Å; G14-T17 PolarHBondContact N-O 3.24Å; T17-Q21 WeakPolarHBondContact CB-O 3.3Å; T17-Q21 PolarHBondContact OG1-O 3.33Å; T17-I23 HydrophobicContact CG2-CB 3.81Å; T17-I23 HydrophobicContact CG2-CG1 4.48Å; T17-Q54 HydrophobicContact CG2-CB 4.24Å; T17-Q54 PolarHBondContact OG1-NE2 2.76Å; T17-M55 HydrophobicContact CG2-CE 3.34Å; T17-P238 WeakPolarHBondContact O-CG 3.22Å
18H96.1Very high96.6Very high65 Ų6549.5 Ų49.530%0.30124%0.24SC..SBendtrans-64.6150.9163-71.9-66.5000110R20 Q21 E24H18-R20 PolarHBondContact O-N 3.21Å; H18-R20 VanDerWaalsContact O-N 3.09Å; H18-Q21 HydrophobicContact CB-CB 4.03Å; H18-Q21 HydrophobicContact CB-CG 3.96Å; H18-Q21 WeakPolarHBondContact O-CB 3.38Å; H18-Q21 PolarHBondContact O-N 3.13Å; H18-E24 IonicContact CD2-OE1 2.59Å; H18-E24 PolarHBondContact CD2-OE1 3.05Å; H18-E24 IonicContact NE2-OE1 2.6Å
19P91.3Very high96.6Very high83 Ų8353.3 Ų53.354%0.53926%0.26SS..THydrogen-bonded Turntrans-50.4118.4-175.8-30.536000113.6D13 Q21D13-P19 WeakPolarHBondContact OD1-CA 3.47Å; P19-Q21 PolarHBondContact O-N 2.65Å
20R88.5Confident96.5Very high218 Ų21855.2 Ų55.282%0.82327%0.267SS*.THydrogen-bonded Turntrans57.724.7-177.7-51179.5-174.5174.22.9114.6D13 H18D13-R20 PolarHBondContact OD1-N 3.25Å; H18-R20 PolarHBondContact O-N 3.21Å; H18-R20 VanDerWaalsContact O-N 3.09Å
21Q94.9Very high96.4Very high117 Ų11755.2 Ų55.255%0.54727%0.267SS..SBendtrans-108.6166.8173.9-57.5-56-53.500110.5T17 H18 P19T17-Q21 WeakPolarHBondContact CB-O 3.3Å; T17-Q21 PolarHBondContact OG1-O 3.33Å; H18-Q21 HydrophobicContact CB-CB 4.03Å; H18-Q21 HydrophobicContact CB-CG 3.96Å; H18-Q21 WeakPolarHBondContact O-CB 3.38Å; H18-Q21 PolarHBondContact O-N 3.13Å; P19-Q21 PolarHBondContact O-N 2.65Å
22K97.5Very high96.4Very high110 Ų11058.1 Ų58.148%0.47828%0.282SS..PPolyproline II helixtrans-72.7154.8167.8-64.3-172.2169.4-165.60110.6Q54 D56K22-Q54 CarbonylContact C-O 3.25Å; K22-Q54 WeakPolarHBondContact CA-O 3.26Å; K22-D56 HydrophobicContact CD-CB 4.11Å; K22-D56 WeakPolarHBondContact CE-OD1 3.2Å; K22-D56 IonicContact NZ-OD1 2.82Å; K22-D56 PolarHBondContact NZ-OD1 3.3Å
23I98.2Very high96.4Very high17 Ų1764.7 Ų64.79%0.08731%0.311CS..PPolyproline II helixtrans-62.1141171.4-167.5162.5000110.5L16 T17 C27 M28 L31 Q54 M55L16-I23 HydrophobicContact CB-CD1 4.41Å; T17-I23 HydrophobicContact CG2-CB 3.81Å; T17-I23 HydrophobicContact CG2-CG1 4.48Å; I23-C27 HydrophobicContact CD1-CB 4.29Å; I23-C27 HydrophobicContact CG1-CB 3.92Å; I23-M28 HydrophobicContact CD1-CB 4.28Å; I23-M28 HydrophobicContact CD1-CE 3.95Å; I23-M28 HydrophobicContact CG1-CB 4.47Å; I23-M28 HydrophobicContact CG2-CE 3.8Å; I23-L31 HydrophobicContact CD1-CD1 3.96Å; I23-Q54 PolarHBondContact N-O 3.23Å; I23-M55 HydrophobicContact CB-CE 4.18Å; I23-M55 HydrophobicContact CD1-CE 4.22Å; I23-M55 HydrophobicContact CD1-SD 4.27Å; I23-M55 WeakPolarHBondContact CG2-O 3.36Å
24E97.7Very high96.4Very high94 Ų9462.4 Ų62.444%0.43930%0.298SS..PPolyproline II helixtrans-79.4146.9175.2-60.4-170.116700110.8H18 E26 C27 M28H18-E24 IonicContact CD2-OE1 2.59Å; H18-E24 PolarHBondContact CD2-OE1 3.05Å; H18-E24 IonicContact NE2-OE1 2.6Å; E24-E26 VanDerWaalsContact C-N 3.26Å; E24-E26 PolarHBondContact O-N 2.97Å; E24-C27 WeakPolarHBondContact O-CB 3.42Å; E24-C27 PolarHBondContact O-N 2.89Å; E24-C27 VanDerWaalsContact O-N 3.08Å; E24-M28 PolarHBondContact O-N 3.37Å
25T96.7Very high96.4Very high107 Ų10765.2 Ų65.266%0.65631%0.309SS*.Hα-helixtrans-56.4-40.1-178.4-50.70000112.2C27 M28 D29T25-C27 VanDerWaalsContact C-N 3.35Å; T25-C27 PolarHBondContact O-N 3.39Å; T25-M28 PolarHBondContact O-N 2.87Å; T25-D29 WeakPolarHBondContact O-CB 3.4Å; T25-D29 VanDerWaalsContact O-CG 3.28Å; T25-D29 PolarHBondContact O-N 3.08Å
26E95.5Very high96.3Very high139 Ų13971.5 Ų71.565%0.6534%0.343SS*.Hα-helixtrans-63.5-40.3178.9-174.7175.6174.400112.3E24 Y30E24-E26 VanDerWaalsContact C-N 3.26Å; E24-E26 PolarHBondContact O-N 2.97Å; E26-Y30 PolarHBondContact O-N 2.74Å; E26-Y30 VanDerWaalsContact O-N 3.13Å
27C96.8Very high96.1Very high8 Ų878.4 Ų78.45%0.05437%0.369CS..Hα-helixtrans-63.2-50.5176-175.50000110.3I23 E24 T25 D29 Y30 L31I23-C27 HydrophobicContact CD1-CB 4.29Å; I23-C27 HydrophobicContact CG1-CB 3.92Å; E24-C27 WeakPolarHBondContact O-CB 3.42Å; E24-C27 PolarHBondContact O-N 2.89Å; E24-C27 VanDerWaalsContact O-N 3.08Å; T25-C27 VanDerWaalsContact C-N 3.35Å; T25-C27 PolarHBondContact O-N 3.39Å; C27-D29 PolarHBondContact O-N 2.91Å; C27-Y30 PolarHBondContact O-N 3.3Å; C27-L31 WeakPolarHBondContact O-CG 3.44Å; C27-L31 PolarHBondContact O-N 2.88Å; C27-L31 VanDerWaalsContact O-N 3.07Å
28M97.9Very high96Very high18 Ų1878.6 Ų78.69%0.08937%0.37CS..Hα-helixtrans-60.7-44.4178.4-175.959.978.900112.4I23 E24 T25 Y30 L31 I32 M55 L57 V65I23-M28 HydrophobicContact CD1-CB 4.28Å; I23-M28 HydrophobicContact CD1-CE 3.95Å; I23-M28 HydrophobicContact CG1-CB 4.47Å; I23-M28 HydrophobicContact CG2-CE 3.8Å; E24-M28 PolarHBondContact O-N 3.37Å; T25-M28 PolarHBondContact O-N 2.87Å; M28-Y30 PolarHBondContact O-N 3.01Å; M28-L31 PolarHBondContact O-N 3.02Å; M28-L31 VanDerWaalsContact O-N 3.12Å; M28-I32 HydrophobicContact CG-CD1 3.87Å; M28-I32 HydrophobicContact CG-CG1 4.36Å; M28-I32 WeakPolarHBondContact O-CG1 3.38Å; M28-I32 PolarHBondContact O-N 3.26Å; M28-I32 HydrophobicContact SD-CD1 4.35Å; M28-I32 HydrophobicContact SD-CG1 4.31Å; M28-M55 WeakPolarHBondContact CE-O 3.42Å; M28-L57 HydrophobicContact CE-CD1 3.52Å; M28-L57 HydrophobicContact CE-CG 4.04Å; M28-L57 HydrophobicContact SD-CD1 4.32Å; M28-V65 HydrophobicContact SD-CG1 4.18Å; M28-V65 HydrophobicContact SD-CG2 4.32Å
29D97.1Very high96.1Very high79 Ų7977.4 Ų77.442%0.42237%0.368SS..Hα-helixtrans-59.3-37.5178.2-81.2-13.1000112.1T25 C27 K33T25-D29 WeakPolarHBondContact O-CB 3.4Å; T25-D29 VanDerWaalsContact O-CG 3.28Å; T25-D29 PolarHBondContact O-N 3.08Å; C27-D29 PolarHBondContact O-N 2.91Å; D29-K33 WeakPolarHBondContact O-CG 3.5Å; D29-K33 PolarHBondContact O-N 2.98Å
30Y97.2Very high96.4Very high40 Ų4073.5 Ų73.516%0.15734%0.343CS..Hα-helixtrans-68.2-44.7175.1-175.7-93.5000111.7E26 C27 M28 I32 K33 L34 I242 L245 K246E26-Y30 PolarHBondContact O-N 2.74Å; E26-Y30 VanDerWaalsContact O-N 3.13Å; C27-Y30 PolarHBondContact O-N 3.3Å; M28-Y30 PolarHBondContact O-N 3.01Å; Y30-I32 VanDerWaalsContact C-N 3.34Å; Y30-I32 PolarHBondContact O-N 3.44Å; Y30-K33 WeakPolarHBondContact O-CB 3.5Å; Y30-K33 PolarHBondContact O-N 2.97Å; Y30-K33 VanDerWaalsContact O-N 3.13Å; Y30-L34 HydrophobicContact CE1-CB 4.31Å; Y30-L34 HydrophobicContact CE1-CD2 4.14Å; Y30-L34 WeakPolarHBondContact O-CB 3.32Å; Y30-L34 PolarHBondContact O-N 2.97Å; Y30-I242 HydrophobicContact CD1-CD1 3.52Å; Y30-I242 HydrophobicContact CD1-CG2 4.24Å; Y30-I242 HydrophobicContact CD2-CG2 4.49Å; Y30-I242 HydrophobicContact CE1-CD1 4.34Å; Y30-I242 HydrophobicContact CG-CD1 4.01Å; Y30-I242 HydrophobicContact CG-CG2 4.18Å; Y30-L245 HydrophobicContact CD1-CD1 4.46Å; Y30-L245 HydrophobicContact CE1-CB 3.75Å; Y30-L245 HydrophobicContact CE1-CD1 4.09Å; Y30-K246 HydrophobicContact CD2-CG 4.42Å; Y30-K246 HydrophobicContact CE1-CG 4.48Å; Y30-K246 HydrophobicContact CE2-CD 4.22Å; Y30-K246 HydrophobicContact CE2-CG 3.5Å; Y30-K246 VanDerWaalsContact CE2-CG 3.5Å; Y30-K246 WeakPolarHBondContact OH-CA 3.21Å; Y30-K246 WeakPolarHBondContact OH-CG 3.41Å; Y30-K246 PolarHBondContact OH-N 3.03Å
31L97.9Very high96.8Very high0 Ų063.1 Ų63.10%030%0.303CS..Hα-helixtrans-61.4-41.4177.2-64.1174.2000111.8F10 L16 I23 C27 M28 K33 L34 K35 L40 V65 F66 L245F10-L31 HydrophobicContact CZ-CD2 4.37Å; L16-L31 HydrophobicContact CD1-CD1 4.12Å; L16-L31 HydrophobicContact CD2-CD1 4.03Å; L16-L31 HydrophobicContact CD2-CD2 4.36Å; I23-L31 HydrophobicContact CD1-CD1 3.96Å; C27-L31 WeakPolarHBondContact O-CG 3.44Å; C27-L31 PolarHBondContact O-N 2.88Å; C27-L31 VanDerWaalsContact O-N 3.07Å; M28-L31 PolarHBondContact O-N 3.02Å; M28-L31 VanDerWaalsContact O-N 3.12Å; L31-K33 VanDerWaalsContact C-N 3.26Å; L31-K33 PolarHBondContact O-N 2.83Å; L31-L34 PolarHBondContact O-N 3.29Å; L31-L34 VanDerWaalsContact O-N 3.15Å; L31-K35 PolarHBondContact O-N 2.8Å; L31-L40 HydrophobicContact CB-CD1 4.1Å; L31-L40 HydrophobicContact CD2-CD1 4.25Å; L31-L40 WeakPolarHBondContact O-CD1 3.44Å; L31-V65 HydrophobicContact CB-CG1 4.39Å; L31-F66 HydrophobicContact CD1-CE1 4.21Å; L31-F66 HydrophobicContact CD1-CZ 3.9Å; L31-L245 HydrophobicContact CD2-CD1 4.17Å
32I97.4Very high97Very high66 Ų6657.6 Ų57.634%0.33828%0.277SS..Hα-helixtrans-60.1-36175.3-70.8169.5000111.7M28 Y30 K35 N36 V65M28-I32 HydrophobicContact CG-CD1 3.87Å; M28-I32 HydrophobicContact CG-CG1 4.36Å; M28-I32 WeakPolarHBondContact O-CG1 3.38Å; M28-I32 PolarHBondContact O-N 3.26Å; M28-I32 HydrophobicContact SD-CD1 4.35Å; M28-I32 HydrophobicContact SD-CG1 4.31Å; Y30-I32 VanDerWaalsContact C-N 3.34Å; Y30-I32 PolarHBondContact O-N 3.44Å; I32-K35 WeakPolarHBondContact O-CG 3.37Å; I32-N36 PolarHBondContact O-ND2 2.97Å; I32-V65 HydrophobicContact CG1-CG1 4.35Å; I32-V65 HydrophobicContact CG1-CG2 4.07Å
33K97Very high97Very high141 Ų14152.3 Ų52.361%0.61326%0.255SS*.Hα-helixtrans-72.8-44.2174.2-69.6166.8-171.6166.30111D29 Y30 L31 K35 N36D29-K33 WeakPolarHBondContact O-CG 3.5Å; D29-K33 PolarHBondContact O-N 2.98Å; Y30-K33 WeakPolarHBondContact O-CB 3.5Å; Y30-K33 PolarHBondContact O-N 2.97Å; Y30-K33 VanDerWaalsContact O-N 3.13Å; L31-K33 VanDerWaalsContact C-N 3.26Å; L31-K33 PolarHBondContact O-N 2.83Å; K33-K35 VanDerWaalsContact C-N 3.35Å; K33-K35 PolarHBondContact O-N 2.78Å; K33-N36 PolarHBondContact O-N 2.75Å; K33-N36 PolarHBondContact O-ND2 3.17Å
34L97Very high96.8Very high3 Ų351.7 Ų51.72%0.01625%0.252CS..Hα-helixtrans-64.2-36.1-176.3-177.264.7000112.7Y30 L31 N36 R37 V38 L40 L245 F249Y30-L34 HydrophobicContact CE1-CB 4.31Å; Y30-L34 HydrophobicContact CE1-CD2 4.14Å; Y30-L34 WeakPolarHBondContact O-CB 3.32Å; Y30-L34 PolarHBondContact O-N 2.97Å; L31-L34 PolarHBondContact O-N 3.29Å; L31-L34 VanDerWaalsContact O-N 3.15Å; L34-N36 PolarHBondContact O-N 2.92Å; L34-R37 WeakPolarHBondContact O-CA 3.45Å; L34-R37 WeakPolarHBondContact O-CB 3.37Å; L34-R37 PolarHBondContact O-N 3.43Å; L34-V38 HydrophobicContact CD1-CG1 3.89Å; L34-V38 HydrophobicContact CD2-CG1 4.31Å; L34-V38 HydrophobicContact CG-CG1 3.85Å; L34-V38 PolarHBondContact O-N 2.88Å; L34-V38 VanDerWaalsContact O-N 3.17Å; L34-L40 HydrophobicContact CD2-CD2 3.79Å; L34-L40 HydrophobicContact CG-CD2 4.03Å; L34-L245 HydrophobicContact CD2-CB 4.44Å; L34-L245 HydrophobicContact CD2-CD1 4Å; L34-L245 HydrophobicContact CD2-CD2 3.85Å; L34-L245 HydrophobicContact CD2-CG 4.33Å; L34-F249 HydrophobicContact CD1-CB 4Å; L34-F249 HydrophobicContact CD1-CD2 3.8Å; L34-F249 HydrophobicContact CD1-CG 3.92Å; L34-F249 HydrophobicContact CD2-CD2 4.5Å
35K95.7Very high96.5Very high64 Ų6449.4 Ų49.428%0.27825%0.254SS..THydrogen-bonded Turntrans-57.2-23.6-178.784.7-173.3179.7173.20114L31 I32 K33 R37 V38 L40 Q64L31-K35 PolarHBondContact O-N 2.8Å; I32-K35 WeakPolarHBondContact O-CG 3.37Å; K33-K35 VanDerWaalsContact C-N 3.35Å; K33-K35 PolarHBondContact O-N 2.78Å; K35-R37 PolarHBondContact O-N 2.82Å; K35-V38 WeakPolarHBondContact CA-O 3.35Å; K35-L40 HydrophobicContact CB-CD1 3.81Å; K35-L40 HydrophobicContact CB-CG 4.07Å; K35-Q64 WeakPolarHBondContact CD-O 3.37Å; K35-Q64 PolarHBondContact NZ-O 3.07Å
36N95.3Very high96.1Very high132 Ų13246.4 Ų46.471%0.70624%0.238SC*.THydrogen-bonded Turntrans-76.1-10.8176.6-60.3-54.7000113.2I32 K33 L34I32-N36 PolarHBondContact O-ND2 2.97Å; K33-N36 PolarHBondContact O-N 2.75Å; K33-N36 PolarHBondContact O-ND2 3.17Å; L34-N36 PolarHBondContact O-N 2.92Å
37R94.7Very high95.9Very high145 Ų14543 Ų4355%0.54722%0.223SC..THydrogen-bonded Turntrans-108.6-37.1-179.8-61.5-179.763.2-179.4-1.1112.2L34 K35 F249 K250L34-R37 WeakPolarHBondContact O-CA 3.45Å; L34-R37 WeakPolarHBondContact O-CB 3.37Å; L34-R37 PolarHBondContact O-N 3.43Å; K35-R37 PolarHBondContact O-N 2.82Å; R37-F249 PolarHBondContact NH1-O 2.84Å; R37-F249 PolarHBondContact NH2-O 2.73Å; R37-F249 VanDerWaalsContact NH2-O 3.15Å; R37-K250 PolarHBondContact NH2-O 2.87Å
38V96.3Very high95.7Very high5 Ų544.3 Ų44.33%0.0323%0.23CC..SBendtrans-145.6137.6-178.963.80000109.5V6 L34 K35 L40 F249V6-V38 HydrophobicContact CB-CG2 4.18Å; V6-V38 HydrophobicContact CG1-CG2 3.96Å; L34-V38 HydrophobicContact CD1-CG1 3.89Å; L34-V38 HydrophobicContact CD2-CG1 4.31Å; L34-V38 HydrophobicContact CG-CG1 3.85Å; L34-V38 PolarHBondContact O-N 2.88Å; L34-V38 VanDerWaalsContact O-N 3.17Å; K35-V38 WeakPolarHBondContact CA-O 3.35Å; V38-L40 HydrophobicContact CG1-CD2 3.94Å; V38-F249 HydrophobicContact CB-CE1 3.97Å; V38-F249 HydrophobicContact CB-CZ 4.11Å; V38-F249 HydrophobicContact CG1-CD1 4.4Å; V38-F249 HydrophobicContact CG1-CD2 4.49Å; V38-F249 HydrophobicContact CG1-CE1 3.93Å; V38-F249 HydrophobicContact CG1-CE2 4.03Å; V38-F249 HydrophobicContact CG1-CZ 3.74Å; V38-F249 HydrophobicContact CG2-CE1 4.15Å; V38-F249 HydrophobicContact CG2-CZ 4.04Å
39P96.7Very high95.6Very high40 Ų4045.4 Ų45.426%0.2625%0.245SC..  trans-53.5141.4168.9-29.838.1000112.2V6 I7 C8 E67 F205V6-P39 WeakPolarHBondContact O-CD 3.44Å; I7-P39 HydrophobicContact CB-CB 4.35Å; I7-P39 HydrophobicContact CD1-CB 4.15Å; I7-P39 HydrophobicContact CG1-CB 3.95Å; I7-P39 WeakPolarHBondContact CG1-O 3.32Å; C8-P39 PolarHBondContact N-O 3.04Å; P39-E67 WeakPolarHBondContact CB-OE2 3.32Å; P39-F205 HydrophobicContact CB-CE1 4.23Å; P39-F205 HydrophobicContact CB-CZ 4.27Å; P39-F205 HydrophobicContact CG-CE1 4.09Å; P39-F205 HydrophobicContact CG-CZ 4.34Å
40L98Very high95.4Very high1 Ų146.6 Ų46.61%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-117148.6177.7-50.2-178.3000109.8C8 F10 L31 L34 K35 V38 F66 E67C8-L40 HydrophobicContact CB-CD2 4.02Å; C8-L40 CarbonylContact O-C 3.54Å; C8-L40 WeakPolarHBondContact O-CA 3.49Å; F10-L40 HydrophobicContact CE2-CB 4.18Å; F10-L40 HydrophobicContact CE2-CD2 3.89Å; F10-L40 HydrophobicContact CE2-CG 4.48Å; F10-L40 HydrophobicContact CZ-CD2 4.26Å; L31-L40 HydrophobicContact CB-CD1 4.1Å; L31-L40 HydrophobicContact CD2-CD1 4.25Å; L31-L40 WeakPolarHBondContact O-CD1 3.44Å; L34-L40 HydrophobicContact CD2-CD2 3.79Å; L34-L40 HydrophobicContact CG-CD2 4.03Å; K35-L40 HydrophobicContact CB-CD1 3.81Å; K35-L40 HydrophobicContact CB-CG 4.07Å; V38-L40 HydrophobicContact CG1-CD2 3.94Å; L40-F66 HydrophobicContact CB-CD1 3.67Å; L40-F66 HydrophobicContact CB-CE1 4.25Å; L40-F66 CarbonylContact O-C 3.48Å; L40-F66 WeakPolarHBondContact O-CA 3.29Å; L40-E67 PolarHBondContact O-N 2.94Å
41A98.4Very high95.3Very high0 Ų044.7 Ų44.70%024%0.24CC..EExtended strand (participates in β ladder)trans-142.6146.4177.600000111.3I7 C8 L9 F10 Y68I7-A41 HydrophobicContact CD1-CB 3.84Å; I7-A41 HydrophobicContact CG1-CB 4.3Å; C8-A41 PolarHBondContact O-N 3.44Å; L9-A41 CarbonylContact C-O 3.52Å; L9-A41 WeakPolarHBondContact CA-O 3.17Å; L9-A41 HydrophobicContact CD1-CB 3.57Å; F10-A41 WeakPolarHBondContact CD2-O 3.37Å; F10-A41 PolarHBondContact N-O 3.33Å; A41-Y68 CarbonylContact C-O 3.55Å; A41-Y68 VanDerWaalsContact CA-O 3.24Å; A41-Y68 WeakPolarHBondContact CA-O 3.38Å
42L98.3Very high95.2Very high0 Ų045.9 Ų45.90%025%0.246CC..EExtended strand (participates in β ladder)trans-105.4144.2172-63.6178000110.8F10 V12 L16 V51 M55 F66 Y68 F70F10-L42 HydrophobicContact CB-CD2 4.27Å; F10-L42 CarbonylContact O-C 3.54Å; V12-L42 HydrophobicContact CG2-CD2 4.49Å; L16-L42 HydrophobicContact CD1-CD2 3.36Å; L42-V51 HydrophobicContact CD1-CG1 4.24Å; L42-M55 HydrophobicContact CD1-CG 3.72Å; L42-M55 HydrophobicContact CD1-SD 3.84Å; L42-M55 HydrophobicContact CD2-SD 4.2Å; L42-F66 HydrophobicContact CD1-CD1 4.36Å; L42-F66 HydrophobicContact CD1-CD2 3.62Å; L42-F66 HydrophobicContact CD1-CE1 4.38Å; L42-F66 HydrophobicContact CD1-CE2 3.66Å; L42-F66 HydrophobicContact CD1-CG 4Å; L42-F66 HydrophobicContact CD1-CZ 4.05Å; L42-F66 HydrophobicContact CD2-CD1 3.83Å; L42-F66 HydrophobicContact CD2-CD2 4.46Å; L42-F66 HydrophobicContact CD2-CE1 3.48Å; L42-F66 VanDerWaalsContact CD2-CE1 3.48Å; L42-F66 HydrophobicContact CD2-CE2 4.19Å; L42-F66 HydrophobicContact CD2-CG 4.31Å; L42-F66 HydrophobicContact CD2-CZ 3.68Å; L42-F66 HydrophobicContact CG-CB 4.37Å; L42-F66 HydrophobicContact CG-CD1 3.66Å; L42-F66 HydrophobicContact CG-CD2 3.85Å; L42-F66 HydrophobicContact CG-CE1 3.81Å; L42-F66 HydrophobicContact CG-CE2 4Å; L42-F66 HydrophobicContact CG-CG 3.69Å; L42-F66 HydrophobicContact CG-CZ 3.98Å; L42-Y68 PolarHBondContact N-O 3.15Å; L42-F70 WeakPolarHBondContact O-CA 3.38Å; L42-F70 VanDerWaalsContact O-CB 3.23Å; L42-F70 WeakPolarHBondContact O-CB 3.37Å; L42-F70 VanDerWaalsContact O-CD2 3.29Å; L42-F70 WeakPolarHBondContact O-CD2 3.39Å; L42-F70 PolarHBondContact O-N 3.49Å
43V97.9Very high95.2Very high0 Ų048.9 Ų48.90%026%0.258CS..EExtended strand (participates in β ladder)trans-137.3114.9165.660.70000111.8L9 F10 D11 F70 K193 C196 F210 L224L9-V43 HydrophobicContact CD1-CB 3.89Å; L9-V43 HydrophobicContact CD1-CG1 3.69Å; L9-V43 HydrophobicContact CD2-CG1 3.96Å; L9-V43 HydrophobicContact CG-CB 4.42Å; L9-V43 HydrophobicContact CG-CG1 3.69Å; F10-V43 PolarHBondContact O-N 3.36Å; D11-V43 WeakPolarHBondContact CA-O 3.32Å; V43-F70 WeakPolarHBondContact CA-O 3.41Å; V43-F70 HydrophobicContact CB-CB 4.17Å; V43-F70 HydrophobicContact CG2-CB 4.17Å; V43-K193 HydrophobicContact CG1-CD 4.28Å; V43-K193 HydrophobicContact CG2-CB 4.19Å; V43-K193 HydrophobicContact CG2-CD 4.27Å; V43-K193 HydrophobicContact CG2-CG 4Å; V43-K193 PolarHBondContact O-NZ 3.43Å; V43-C196 HydrophobicContact CG2-CB 4.33Å; V43-F210 HydrophobicContact CG1-CE2 4.05Å; V43-L224 HydrophobicContact CG1-CD2 3.93Å
44G93.9Very high95.2Very high3 Ų343.2 Ų43.23%0.03123%0.234CC..  trans-124147.3176.700000112.2S46 F70 A71 E72 N73G44-S46 VanDerWaalsContact C-N 3.25Å; G44-F70 PolarHBondContact N-O 2.87Å; G44-A71 CarbonylContact O-C 3.56Å; G44-E72 PolarHBondContact O-N 3.32Å; G44-N73 PolarHBondContact O-N 3.25Å
45G89.9Confident95.3Very high47 Ų4743.1 Ų43.149%0.48523%0.233SC..SBendtrans-77.4-12171.500000113.9N73G45-N73 VanDerWaalsContact CA-OD1 3.24Å; G45-N73 WeakPolarHBondContact CA-OD1 3.34Å
46S89Confident95.3Very high44 Ų4444.5 Ų44.531%0.30824%0.244SC..SBendtrans-79162.3177-65.50000112.3G44 E72G44-S46 VanDerWaalsContact C-N 3.25Å; S46-E72 PolarHBondContact O-N 3.4Å
47D91.4Very high95.4Very high66 Ų6639.9 Ų39.935%0.35322%0.219SC..  trans-61.6161.4167.860.471.1000111.9G49 K50 V51D47-G49 PolarHBondContact O-N 3.31Å; D47-G49 PolarHBondContact OD1-N 2.79Å; D47-G49 VanDerWaalsContact OD1-N 3.13Å; D47-K50 PolarHBondContact O-N 2.9Å; D47-K50 PolarHBondContact OD1-N 2.61Å; D47-K50 WeakPolarHBondContact OD2-CD 3.41Å; D47-K50 WeakPolarHBondContact OD2-CE 3.47Å; D47-K50 IonicContact OD2-NZ 2.76Å; D47-K50 PolarHBondContact OD2-NZ 2.68Å; D47-V51 PolarHBondContact O-N 2.71Å; D47-V51 VanDerWaalsContact O-N 3.14Å
48I93.7Very high95.4Very high37 Ų3736.9 Ų36.919%0.1921%0.214CC..Hα-helixtrans-60.5-34-176.6-172.159.4000112.5K50 V51 L52 L59 V69 A71 F76I48-K50 VanDerWaalsContact C-N 3.35Å; I48-K50 PolarHBondContact O-N 2.95Å; I48-V51 PolarHBondContact O-N 3.24Å; I48-L52 HydrophobicContact CD1-CD1 4.22Å; I48-L52 HydrophobicContact CD1-CD2 4.3Å; I48-L52 HydrophobicContact CD1-CG 3.95Å; I48-L52 HydrophobicContact CG1-CD1 3.83Å; I48-L52 HydrophobicContact CG1-CG 4.04Å; I48-L52 WeakPolarHBondContact O-CB 3.27Å; I48-L52 WeakPolarHBondContact O-CG 3.4Å; I48-L52 PolarHBondContact O-N 3.41Å; I48-L59 HydrophobicContact CD1-CD1 4.02Å; I48-L59 HydrophobicContact CG1-CD1 4.31Å; I48-V69 HydrophobicContact CD1-CG1 3.75Å; I48-A71 HydrophobicContact CB-CB 3.91Å; I48-A71 HydrophobicContact CD1-CB 4.07Å; I48-F76 HydrophobicContact CB-CD1 4.07Å; I48-F76 HydrophobicContact CB-CE1 3.99Å; I48-F76 HydrophobicContact CB-CZ 4.38Å; I48-F76 HydrophobicContact CD1-CD1 4.15Å; I48-F76 HydrophobicContact CD1-CE1 3.83Å; I48-F76 HydrophobicContact CG1-CD1 4.15Å; I48-F76 HydrophobicContact CG1-CE1 3.66Å; I48-F76 HydrophobicContact CG1-CZ 4.15Å; I48-F76 HydrophobicContact CG2-CE1 4.47Å; I48-F76 HydrophobicContact CG2-CZ 4.37Å
49G94.1Very high95.3Very high40 Ų4038.6 Ų38.641%0.41222%0.222SC..Hα-helixtrans-60.5-45.6179.500000111.7D47 L52 E53D47-G49 PolarHBondContact O-N 3.31Å; D47-G49 PolarHBondContact OD1-N 2.79Å; D47-G49 VanDerWaalsContact OD1-N 3.13Å; G49-L52 PolarHBondContact O-N 3.19Å; G49-E53 WeakPolarHBondContact O-CB 3.44Å; G49-E53 PolarHBondContact O-N 3.3Å
50K93.1Very high95.2Very high104 Ų10441.6 Ų41.645%0.45223%0.233SC..Hα-helixtrans-67.5-41.5175.9-72.9175-174.9161.10113.2D47 I48 L52 E53 Q54D47-K50 PolarHBondContact O-N 2.9Å; D47-K50 PolarHBondContact OD1-N 2.61Å; D47-K50 WeakPolarHBondContact OD2-CD 3.41Å; D47-K50 WeakPolarHBondContact OD2-CE 3.47Å; D47-K50 IonicContact OD2-NZ 2.76Å; D47-K50 PolarHBondContact OD2-NZ 2.68Å; I48-K50 VanDerWaalsContact C-N 3.35Å; I48-K50 PolarHBondContact O-N 2.95Å; K50-L52 VanDerWaalsContact C-N 3.28Å; K50-L52 PolarHBondContact O-N 3.27Å; K50-E53 PolarHBondContact O-N 2.88Å; K50-Q54 WeakPolarHBondContact O-CG 3.14Å; K50-Q54 PolarHBondContact O-N 3.19Å
51V95.8Very high95.1Very high1 Ų145.5 Ų45.51%0.00625%0.251CS..Hα-helixtrans-58.1-46.7176.8171.80000109.8V12 L42 D47 I48 Q54 M55 V69 A71V12-V51 HydrophobicContact CG2-CG1 4.29Å; L42-V51 HydrophobicContact CD1-CG1 4.24Å; D47-V51 PolarHBondContact O-N 2.71Å; D47-V51 VanDerWaalsContact O-N 3.14Å; I48-V51 PolarHBondContact O-N 3.24Å; V51-Q54 PolarHBondContact O-N 3.01Å; V51-M55 VanDerWaalsContact O-CG 3.31Å; V51-M55 WeakPolarHBondContact O-CG 3.05Å; V51-M55 PolarHBondContact O-N 3.22Å; V51-V69 HydrophobicContact CG1-CG1 4.31Å; V51-A71 HydrophobicContact CG2-CB 4.24Å
52L96.7Very high95Very high25 Ų2545.5 Ų45.513%0.13125%0.251CS..Hα-helixtrans-66.9-41.1178.8-69.3-178.4000113I48 G49 K50 Q54 M55 D56 L57 L59 A62I48-L52 HydrophobicContact CD1-CD1 4.22Å; I48-L52 HydrophobicContact CD1-CD2 4.3Å; I48-L52 HydrophobicContact CD1-CG 3.95Å; I48-L52 HydrophobicContact CG1-CD1 3.83Å; I48-L52 HydrophobicContact CG1-CG 4.04Å; I48-L52 WeakPolarHBondContact O-CB 3.27Å; I48-L52 WeakPolarHBondContact O-CG 3.4Å; I48-L52 PolarHBondContact O-N 3.41Å; G49-L52 PolarHBondContact O-N 3.19Å; K50-L52 VanDerWaalsContact C-N 3.28Å; K50-L52 PolarHBondContact O-N 3.27Å; L52-Q54 VanDerWaalsContact C-N 3.31Å; L52-Q54 PolarHBondContact O-N 2.74Å; L52-M55 CarbonylContact O-C 3.43Å; L52-M55 PolarHBondContact O-N 3.4Å; L52-D56 PolarHBondContact O-N 3.29Å; L52-L57 VanDerWaalsContact CB-O 3.31Å; L52-L57 WeakPolarHBondContact CB-O 3.32Å; L52-L57 PolarHBondContact O-N 3.29Å; L52-L59 HydrophobicContact CD1-CB 3.92Å; L52-A62 HydrophobicContact CD2-CB 3.63Å
53E97Very high94.9Very high128 Ų12846.2 Ų46.260%0.59826%0.256SS*.Hα-helixtrans-57.2-44.5173.7-178.5-175.4-179.600111.6G49 K50 D56G49-E53 WeakPolarHBondContact O-CB 3.44Å; G49-E53 PolarHBondContact O-N 3.3Å; K50-E53 PolarHBondContact O-N 2.88Å; E53-D56 PolarHBondContact O-N 3.34Å
54Q96.9Very high94.8Very high22 Ų2252 Ų5210%0.10328%0.283CS..Hα-helixtrans-69.9-34.3178.1-68.5-169.4-84.600112.5V12 D13 T17 K22 I23 K50 V51 L52 D56V12-Q54 HydrophobicContact CG1-CB 3.99Å; D13-Q54 PolarHBondContact OD1-NE2 2.87Å; T17-Q54 HydrophobicContact CG2-CB 4.24Å; T17-Q54 PolarHBondContact OG1-NE2 2.76Å; K22-Q54 CarbonylContact C-O 3.25Å; K22-Q54 WeakPolarHBondContact CA-O 3.26Å; I23-Q54 PolarHBondContact N-O 3.23Å; K50-Q54 WeakPolarHBondContact O-CG 3.14Å; K50-Q54 PolarHBondContact O-N 3.19Å; V51-Q54 PolarHBondContact O-N 3.01Å; L52-Q54 VanDerWaalsContact C-N 3.31Å; L52-Q54 PolarHBondContact O-N 2.74Å; Q54-D56 PolarHBondContact O-N 3.22Å
55M97.6Very high94.9Very high1 Ų152.4 Ų52.41%0.00529%0.285CS..Hα-helixtrans-76.1-10.6174.3-65.1-61.287.500113.3V12 L16 T17 I23 M28 L42 V51 L52 L57 F66V12-M55 HydrophobicContact CG1-CE 3.64Å; L16-M55 HydrophobicContact CB-CE 4.26Å; L16-M55 HydrophobicContact CD1-SD 4.32Å; T17-M55 HydrophobicContact CG2-CE 3.34Å; I23-M55 HydrophobicContact CB-CE 4.18Å; I23-M55 HydrophobicContact CD1-CE 4.22Å; I23-M55 HydrophobicContact CD1-SD 4.27Å; I23-M55 WeakPolarHBondContact CG2-O 3.36Å; M28-M55 WeakPolarHBondContact CE-O 3.42Å; L42-M55 HydrophobicContact CD1-CG 3.72Å; L42-M55 HydrophobicContact CD1-SD 3.84Å; L42-M55 HydrophobicContact CD2-SD 4.2Å; V51-M55 VanDerWaalsContact O-CG 3.31Å; V51-M55 WeakPolarHBondContact O-CG 3.05Å; V51-M55 PolarHBondContact O-N 3.22Å; L52-M55 CarbonylContact O-C 3.43Å; L52-M55 PolarHBondContact O-N 3.4Å; M55-L57 HydrophobicContact CB-CB 4.37Å; M55-L57 HydrophobicContact CB-CD1 4.33Å; M55-L57 HydrophobicContact CB-CG 4.4Å; M55-L57 WeakPolarHBondContact O-CG 3.4Å; M55-L57 PolarHBondContact O-N 2.91Å; M55-F66 HydrophobicContact SD-CE2 4.26Å; M55-F66 HydrophobicContact SD-CZ 4.25Å
56D97.1Very high95.3Very high93 Ų9350.2 Ų50.250%0.49726%0.262SS..THydrogen-bonded Turntrans52.241.7-172.3-155.235.9000112.6K22 L52 E53 Q54K22-D56 HydrophobicContact CD-CB 4.11Å; K22-D56 WeakPolarHBondContact CE-OD1 3.2Å; K22-D56 IonicContact NZ-OD1 2.82Å; K22-D56 PolarHBondContact NZ-OD1 3.3Å; L52-D56 PolarHBondContact O-N 3.29Å; E53-D56 PolarHBondContact O-N 3.34Å; Q54-D56 PolarHBondContact O-N 3.22Å
57L96.2Very high95.6Very high36 Ų3650.2 Ų50.219%0.18826%0.257CS..SBendtrans-137.9155.2-178.3-66.1174.5000110.2M28 L52 M55 E61 A62 V65M28-L57 HydrophobicContact CE-CD1 3.52Å; M28-L57 HydrophobicContact CE-CG 4.04Å; M28-L57 HydrophobicContact SD-CD1 4.32Å; L52-L57 VanDerWaalsContact CB-O 3.31Å; L52-L57 WeakPolarHBondContact CB-O 3.32Å; L52-L57 PolarHBondContact O-N 3.29Å; M55-L57 HydrophobicContact CB-CB 4.37Å; M55-L57 HydrophobicContact CB-CD1 4.33Å; M55-L57 HydrophobicContact CB-CG 4.4Å; M55-L57 WeakPolarHBondContact O-CG 3.4Å; M55-L57 PolarHBondContact O-N 2.91Å; L57-E61 WeakPolarHBondContact CA-OE2 3.39Å; L57-E61 HydrophobicContact CB-CB 3.94Å; L57-E61 HydrophobicContact CD1-CB 4.5Å; L57-E61 HydrophobicContact CD2-CB 3.75Å; L57-E61 HydrophobicContact CG-CB 4.24Å; L57-A62 HydrophobicContact CB-CB 4.36Å; L57-A62 HydrophobicContact CD1-CB 4.33Å; L57-V65 HydrophobicContact CD1-CG2 4.3Å
58D96.1Very high95.9Very high82 Ų8247.1 Ų47.144%0.43924%0.241SC..  trans-79.3176.3159.375.832.3000112.1E60 E61 A62D58-E60 VanDerWaalsContact C-N 3.3Å; D58-E60 PolarHBondContact O-N 3.38Å; D58-E60 WeakPolarHBondContact OD1-CA 3.29Å; D58-E60 WeakPolarHBondContact OD1-CB 3.44Å; D58-E60 PolarHBondContact OD1-N 2.84Å; D58-E61 PolarHBondContact N-OE2 2.91Å; D58-E61 WeakPolarHBondContact OD1-CG 3.38Å; D58-E61 PolarHBondContact OD1-N 2.85Å; D58-A62 VanDerWaalsContact O-CB 3.26Å; D58-A62 WeakPolarHBondContact O-CB 3.36Å; D58-A62 PolarHBondContact O-N 2.77Å
59L93.9Very high96.1Very high40 Ų4045.4 Ų45.421%0.20923%0.232CC..Hα-helixtrans-65.2-35-177.4-175.959.2000112.6I48 L52 C63 F76 C78 V83I48-L59 HydrophobicContact CD1-CD1 4.02Å; I48-L59 HydrophobicContact CG1-CD1 4.31Å; L52-L59 HydrophobicContact CD1-CB 3.92Å; L59-C63 WeakPolarHBondContact O-CB 3.4Å; L59-C63 PolarHBondContact O-N 3.4Å; L59-C63 PolarHBondContact O-SG 3.22Å; L59-F76 HydrophobicContact CD2-CZ 4.29Å; L59-C78 HydrophobicContact CD1-CB 4.12Å; L59-V83 HydrophobicContact CD2-CG2 4.41Å
60E94.8Very high96.3Very high104 Ų10443.5 Ų43.549%0.48621%0.212SC..Hα-helixtrans-69.7-48.4-179176.5165.7-174.900110D58 A62 C63 Q64 N81D58-E60 VanDerWaalsContact C-N 3.3Å; D58-E60 PolarHBondContact O-N 3.38Å; D58-E60 WeakPolarHBondContact OD1-CA 3.29Å; D58-E60 WeakPolarHBondContact OD1-CB 3.44Å; D58-E60 PolarHBondContact OD1-N 2.84Å; E60-A62 PolarHBondContact O-N 3.23Å; E60-C63 PolarHBondContact O-N 3.01Å; E60-Q64 WeakPolarHBondContact O-CG 3.22Å; E60-Q64 PolarHBondContact O-N 2.8Å; E60-Q64 VanDerWaalsContact O-N 3.07Å; E60-N81 WeakPolarHBondContact CG-ND2 3.33Å
61E96.1Very high96.3Very high83 Ų8338.5 Ų38.539%0.38819%0.191SC..Hα-helixtrans-59.2-45.8174.6-67.8174.5141.600111.5L57 D58 C63 Q64 V65L57-E61 WeakPolarHBondContact CA-OE2 3.39Å; L57-E61 HydrophobicContact CB-CB 3.94Å; L57-E61 HydrophobicContact CD1-CB 4.5Å; L57-E61 HydrophobicContact CD2-CB 3.75Å; L57-E61 HydrophobicContact CG-CB 4.24Å; D58-E61 PolarHBondContact N-OE2 2.91Å; D58-E61 WeakPolarHBondContact OD1-CG 3.38Å; D58-E61 PolarHBondContact OD1-N 2.85Å; E61-C63 VanDerWaalsContact C-N 3.29Å; E61-C63 PolarHBondContact O-N 2.85Å; E61-Q64 WeakPolarHBondContact O-CB 3.28Å; E61-Q64 PolarHBondContact O-N 3.23Å; E61-V65 PolarHBondContact O-N 3.2Å
62A96.5Very high96.1Very high0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-58.5-42.2175.400000111.5L52 L57 D58 E60 Q64 V65 F66 V69L52-A62 HydrophobicContact CD2-CB 3.63Å; L57-A62 HydrophobicContact CB-CB 4.36Å; L57-A62 HydrophobicContact CD1-CB 4.33Å; D58-A62 VanDerWaalsContact O-CB 3.26Å; D58-A62 WeakPolarHBondContact O-CB 3.36Å; D58-A62 PolarHBondContact O-N 2.77Å; E60-A62 PolarHBondContact O-N 3.23Å; A62-Q64 PolarHBondContact O-N 3.35Å; A62-V65 PolarHBondContact O-N 2.9Å; A62-V65 VanDerWaalsContact O-N 3.15Å; A62-F66 WeakPolarHBondContact O-CD2 3.41Å; A62-F66 PolarHBondContact O-N 2.91Å; A62-V69 HydrophobicContact CB-CG2 4.11Å
63C95.2Very high95.9Very high14 Ų1440.2 Ų40.210%0.09520%0.199CC..Hα-helixtrans-70.5-15.6176.9-70.60000114.4L59 E60 E61 F66 C78 N81L59-C63 WeakPolarHBondContact O-CB 3.4Å; L59-C63 PolarHBondContact O-N 3.4Å; L59-C63 PolarHBondContact O-SG 3.22Å; E60-C63 PolarHBondContact O-N 3.01Å; E61-C63 VanDerWaalsContact C-N 3.29Å; E61-C63 PolarHBondContact O-N 2.85Å; C63-F66 CarbonylContact C-O 3.56Å; C63-F66 WeakPolarHBondContact CA-O 3.38Å; C63-C78 PolarHBondContact SG-SG 3.12Å; C63-N81 HydrophobicContact CB-CB 4.07Å; C63-N81 VanDerWaalsContact CB-N 3.34Å; C63-N81 PolarHBondContact SG-N 3.2Å
64Q95.5Very high95.8Very high121 Ų12134.1 Ų34.157%0.56517%0.17SC*.Hα-helixtrans-80.1-28.4171.3-67.6173.616.200111.8K35 E60 E61 A62K35-Q64 WeakPolarHBondContact CD-O 3.37Å; K35-Q64 PolarHBondContact NZ-O 3.07Å; E60-Q64 WeakPolarHBondContact O-CG 3.22Å; E60-Q64 PolarHBondContact O-N 2.8Å; E60-Q64 VanDerWaalsContact O-N 3.07Å; E61-Q64 WeakPolarHBondContact O-CB 3.28Å; E61-Q64 PolarHBondContact O-N 3.23Å; A62-Q64 PolarHBondContact O-N 3.35Å
65V96.7Very high95.5Very high12 Ų1233.3 Ų33.37%0.07317%0.167CC..Hα-helixtrans-89.2-46.2178.4-176.40000111.2M28 L31 I32 L57 E61 A62M28-V65 HydrophobicContact SD-CG1 4.18Å; M28-V65 HydrophobicContact SD-CG2 4.32Å; L31-V65 HydrophobicContact CB-CG1 4.39Å; I32-V65 HydrophobicContact CG1-CG1 4.35Å; I32-V65 HydrophobicContact CG1-CG2 4.07Å; L57-V65 HydrophobicContact CD1-CG2 4.3Å; E61-V65 PolarHBondContact O-N 3.2Å; A62-V65 PolarHBondContact O-N 2.9Å; A62-V65 VanDerWaalsContact O-N 3.15Å
66F97.5Very high95.3Very high1 Ų134.3 Ų34.30%0.00417%0.171CC..  trans-109.7125.2-176.8-53.1-82.7000109.5L16 L31 L40 L42 M55 A62 C63 Y68 V69L16-F66 HydrophobicContact CD1-CE1 4.29Å; L16-F66 HydrophobicContact CD1-CZ 4.28Å; L31-F66 HydrophobicContact CD1-CE1 4.21Å; L31-F66 HydrophobicContact CD1-CZ 3.9Å; L40-F66 HydrophobicContact CB-CD1 3.67Å; L40-F66 HydrophobicContact CB-CE1 4.25Å; L40-F66 CarbonylContact O-C 3.48Å; L40-F66 WeakPolarHBondContact O-CA 3.29Å; L42-F66 HydrophobicContact CD1-CD1 4.36Å; L42-F66 HydrophobicContact CD1-CD2 3.62Å; L42-F66 HydrophobicContact CD1-CE1 4.38Å; L42-F66 HydrophobicContact CD1-CE2 3.66Å; L42-F66 HydrophobicContact CD1-CG 4Å; L42-F66 HydrophobicContact CD1-CZ 4.05Å; L42-F66 HydrophobicContact CD2-CD1 3.83Å; L42-F66 HydrophobicContact CD2-CD2 4.46Å; L42-F66 HydrophobicContact CD2-CE1 3.48Å; L42-F66 VanDerWaalsContact CD2-CE1 3.48Å; L42-F66 HydrophobicContact CD2-CE2 4.19Å; L42-F66 HydrophobicContact CD2-CG 4.31Å; L42-F66 HydrophobicContact CD2-CZ 3.68Å; L42-F66 HydrophobicContact CG-CB 4.37Å; L42-F66 HydrophobicContact CG-CD1 3.66Å; L42-F66 HydrophobicContact CG-CD2 3.85Å; L42-F66 HydrophobicContact CG-CE1 3.81Å; L42-F66 HydrophobicContact CG-CE2 4Å; L42-F66 HydrophobicContact CG-CG 3.69Å; L42-F66 HydrophobicContact CG-CZ 3.98Å; M55-F66 HydrophobicContact SD-CE2 4.26Å; M55-F66 HydrophobicContact SD-CZ 4.25Å; A62-F66 WeakPolarHBondContact O-CD2 3.41Å; A62-F66 PolarHBondContact O-N 2.91Å; C63-F66 CarbonylContact C-O 3.56Å; C63-F66 WeakPolarHBondContact CA-O 3.38Å; F66-Y68 PolarHBondContact O-N 3.44Å; F66-V69 HydrophobicContact CB-CG2 4.15Å
67E96.4Very high95.2Very high45 Ų4529.9 Ų29.921%0.2115%0.147CC..SBendtrans-62.4-32.7176.4-174.7167.4-176.400111.2P39 L40 K79P39-E67 WeakPolarHBondContact CB-OE2 3.32Å; L40-E67 PolarHBondContact O-N 2.94Å; E67-K79 WeakPolarHBondContact O-CA 3.48Å
68Y97.8Very high95.2Very high1 Ų128.2 Ų28.20%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-125.7136.9174.3-65.3-93.6000112.1I7 A41 L42 F66 F70 C78 K79 F84 L200 D203 F205I7-Y68 HydrophobicContact CD1-CD2 3.88Å; I7-Y68 HydrophobicContact CD1-CE2 4.24Å; A41-Y68 CarbonylContact C-O 3.55Å; A41-Y68 VanDerWaalsContact CA-O 3.24Å; A41-Y68 WeakPolarHBondContact CA-O 3.38Å; L42-Y68 PolarHBondContact N-O 3.15Å; F66-Y68 PolarHBondContact O-N 3.44Å; Y68-F70 AromaticContact CD1-CE1 3.85Å; Y68-F70 HydrophobicContact CD1-CE1 3.85Å; Y68-F70 HydrophobicContact CD1-CE2 4.19Å; Y68-F70 AromaticContact CD1-CZ 3.38Å; Y68-F70 HydrophobicContact CD1-CZ 3.38Å; Y68-F70 HydrophobicContact CE1-CZ 4.22Å; Y68-F70 HydrophobicContact CG-CE1 4.45Å; Y68-F70 HydrophobicContact CG-CE2 4.04Å; Y68-F70 AromaticContact CG-CZ 3.7Å; Y68-F70 HydrophobicContact CG-CZ 3.7Å; Y68-C78 WeakPolarHBondContact CA-O 3.35Å; Y68-K79 HydrophobicContact CD1-CB 4.06Å; Y68-K79 HydrophobicContact CD1-CD 4.44Å; Y68-K79 HydrophobicContact CD1-CG 4.22Å; Y68-K79 HydrophobicContact CE1-CB 3.99Å; Y68-K79 HydrophobicContact CE1-CD 3.59Å; Y68-K79 HydrophobicContact CE1-CG 3.85Å; Y68-K79 WeakPolarHBondContact OH-CD 3.38Å; Y68-K79 WeakPolarHBondContact OH-CE 3.46Å; Y68-K79 PolarHBondContact OH-NZ 2.83Å; Y68-F84 HydrophobicContact CD1-CE1 4.17Å; Y68-F84 HydrophobicContact CD1-CZ 4.29Å; Y68-F84 HydrophobicContact CE1-CE1 4.26Å; Y68-F84 HydrophobicContact CE1-CZ 4.2Å; Y68-L200 HydrophobicContact CD1-CD2 4.21Å; Y68-L200 HydrophobicContact CD2-CD2 3.64Å; Y68-L200 HydrophobicContact CE1-CD2 4.26Å; Y68-L200 HydrophobicContact CE2-CD2 3.74Å; Y68-L200 HydrophobicContact CG-CD2 3.89Å; Y68-D203 WeakPolarHBondContact OH-CB 3.21Å; Y68-D203 PolarHBondContact OH-OD1 2.89Å; Y68-D203 PolarHBondContact OH-OD2 3.28Å; Y68-F205 AromaticContact CE2-CE2 3.81Å; Y68-F205 HydrophobicContact CE2-CE2 3.81Å; Y68-F205 HydrophobicContact CE2-CZ 4.41Å
69V97.8Very high95.1Very high0 Ų026.5 Ų26.50%013%0.127CC..EExtended strand (participates in β ladder)trans-122.5108.4168.8-176.30000108I48 V51 A62 F66 C78I48-V69 HydrophobicContact CD1-CG1 3.75Å; V51-V69 HydrophobicContact CG1-CG1 4.31Å; A62-V69 HydrophobicContact CB-CG2 4.11Å; F66-V69 HydrophobicContact CB-CG2 4.15Å; V69-C78 HydrophobicContact CB-CB 4.32Å; V69-C78 PolarHBondContact N-O 3.05Å; V69-C78 PolarHBondContact O-N 3.2Å
70F97.1Very high94.6Very high0 Ų031.8 Ų31.80%015%0.148CC..EExtended strand (participates in β ladder)trans-103.4109.7176.9-56.7-60.5000109.9L9 L42 V43 G44 Y68 F76 A77 F84 C196 Y199 L200L9-F70 HydrophobicContact CD1-CD2 4.16Å; L9-F70 HydrophobicContact CD1-CE2 4.42Å; L42-F70 WeakPolarHBondContact O-CA 3.38Å; L42-F70 VanDerWaalsContact O-CB 3.23Å; L42-F70 WeakPolarHBondContact O-CB 3.37Å; L42-F70 VanDerWaalsContact O-CD2 3.29Å; L42-F70 WeakPolarHBondContact O-CD2 3.39Å; L42-F70 PolarHBondContact O-N 3.49Å; V43-F70 WeakPolarHBondContact CA-O 3.41Å; V43-F70 HydrophobicContact CB-CB 4.17Å; V43-F70 HydrophobicContact CG2-CB 4.17Å; G44-F70 PolarHBondContact N-O 2.87Å; Y68-F70 AromaticContact CD1-CE1 3.85Å; Y68-F70 HydrophobicContact CD1-CE1 3.85Å; Y68-F70 HydrophobicContact CD1-CE2 4.19Å; Y68-F70 AromaticContact CD1-CZ 3.38Å; Y68-F70 HydrophobicContact CD1-CZ 3.38Å; Y68-F70 HydrophobicContact CE1-CZ 4.22Å; Y68-F70 HydrophobicContact CG-CE1 4.45Å; Y68-F70 HydrophobicContact CG-CE2 4.04Å; Y68-F70 AromaticContact CG-CZ 3.7Å; Y68-F70 HydrophobicContact CG-CZ 3.7Å; F70-F76 WeakPolarHBondContact CA-O 3.49Å; F70-A77 HydrophobicContact CD1-CB 3.67Å; F70-A77 HydrophobicContact CE1-CB 3.78Å; F70-F84 HydrophobicContact CE1-CZ 4.15Å; F70-C196 HydrophobicContact CB-CB 4.08Å; F70-C196 HydrophobicContact CD1-CB 4.02Å; F70-C196 HydrophobicContact CD2-CB 3.5Å; F70-C196 HydrophobicContact CE1-CB 4.31Å; F70-C196 HydrophobicContact CE2-CB 3.82Å; F70-C196 HydrophobicContact CG-CB 3.6Å; F70-C196 HydrophobicContact CZ-CB 4.21Å; F70-Y199 HydrophobicContact CD1-CD2 4.13Å; F70-Y199 AromaticContact CE1-CD2 3.44Å; F70-Y199 HydrophobicContact CE1-CD2 3.44Å; F70-Y199 VanDerWaalsContact CE1-CD2 3.44Å; F70-Y199 HydrophobicContact CE1-CE2 4.23Å; F70-Y199 HydrophobicContact CE1-CG 4.15Å; F70-Y199 HydrophobicContact CZ-CD2 4.01Å; F70-L200 HydrophobicContact CE2-CD1 4.36Å; F70-L200 HydrophobicContact CE2-CD2 3.92Å; F70-L200 HydrophobicContact CE2-CG 4.13Å; F70-L200 HydrophobicContact CZ-CD2 3.93Å; F70-L200 HydrophobicContact CZ-CG 4.27Å
71A93.9Very high94.1Very high0 Ų030.1 Ų30.10%014%0.143CC..EExtended strand (participates in β ladder)trans-101.1159.8167.800000109.7G44 I48 V51 N73 G74 L75 F76G44-A71 CarbonylContact O-C 3.56Å; I48-A71 HydrophobicContact CB-CB 3.91Å; I48-A71 HydrophobicContact CD1-CB 4.07Å; V51-A71 HydrophobicContact CG2-CB 4.24Å; A71-N73 PolarHBondContact O-N 3.13Å; A71-G74 PolarHBondContact O-N 2.96Å; A71-L75 PolarHBondContact O-N 3.4Å; A71-F76 HydrophobicContact CB-CB 4.1Å; A71-F76 HydrophobicContact CB-CD1 4.07Å; A71-F76 HydrophobicContact CB-CG 4.44Å; A71-F76 PolarHBondContact N-O 3.46Å; A71-F76 PolarHBondContact O-N 2.69Å
72E92.1Very high93.9Very high29 Ų2933.3 Ų33.314%0.13616%0.156CC..G310 helixtrans5047.7-176.2-54.9177.6-101.700111.1G44 S46 G74 L75 K126G44-E72 PolarHBondContact O-N 3.32Å; S46-E72 PolarHBondContact O-N 3.4Å; E72-G74 PolarHBondContact O-N 3.31Å; E72-G74 VanDerWaalsContact O-N 3.1Å; E72-L75 HydrophobicContact CB-CB 3.99Å; E72-L75 HydrophobicContact CB-CD1 4.3Å; E72-L75 VanDerWaalsContact O-CB 3.32Å; E72-L75 WeakPolarHBondContact O-CB 3.43Å; E72-L75 WeakPolarHBondContact O-CD1 3.37Å; E72-L75 WeakPolarHBondContact O-CG 3.33Å; E72-L75 PolarHBondContact O-N 3.34Å; E72-K126 WeakPolarHBondContact OE1-CD 3.48Å; E72-K126 IonicContact OE1-NZ 3.89Å; E72-K126 WeakPolarHBondContact OE2-CB 3.42Å
73N92.8Very high93.6Very high32 Ų3236.4 Ų36.417%0.17117%0.174CC..G310 helixtrans60.314.7-177.2-60.3-25.5000115.8G44 G45 A71 W191 K193 C196G44-N73 PolarHBondContact O-N 3.25Å; G45-N73 VanDerWaalsContact CA-OD1 3.24Å; G45-N73 WeakPolarHBondContact CA-OD1 3.34Å; A71-N73 PolarHBondContact O-N 3.13Å; N73-W191 PolarHBondContact ND2-O 3.27Å; N73-K193 WeakPolarHBondContact OD1-CG 3.28Å; N73-C196 PolarHBondContact O-N 3.48Å
74G93.7Very high93.5Very high0 Ų039.8 Ų39.80%019%0.188CC..G310 helixtrans104.43.6-176.200000114.2A71 E72 F76 Y199A71-G74 PolarHBondContact O-N 2.96Å; E72-G74 PolarHBondContact O-N 3.31Å; E72-G74 VanDerWaalsContact O-N 3.1Å; G74-F76 PolarHBondContact O-N 3.14Å; G74-Y199 WeakPolarHBondContact O-CE2 3.4Å; G74-Y199 PolarHBondContact O-OH 2.91Å
75L91.3Very high93.2Very high5 Ų536.1 Ų36.13%0.02617%0.17CC..THydrogen-bonded Turntrans-71.1-19.3167.9-60.5169.7000112.6A71 E72 S86 Q87 W191 F195A71-L75 PolarHBondContact O-N 3.4Å; E72-L75 HydrophobicContact CB-CB 3.99Å; E72-L75 HydrophobicContact CB-CD1 4.3Å; E72-L75 VanDerWaalsContact O-CB 3.32Å; E72-L75 WeakPolarHBondContact O-CB 3.43Å; E72-L75 WeakPolarHBondContact O-CD1 3.37Å; E72-L75 WeakPolarHBondContact O-CG 3.33Å; E72-L75 PolarHBondContact O-N 3.34Å; L75-S86 WeakPolarHBondContact O-CA 3.33Å; L75-S86 PolarHBondContact O-OG 3.36Å; L75-Q87 PolarHBondContact O-N 3.19Å; L75-W191 HydrophobicContact CD1-CD2 3.78Å; L75-W191 HydrophobicContact CD1-CE3 3.21Å; L75-W191 HydrophobicContact CD1-CG 4.44Å; L75-W191 HydrophobicContact CD1-CH2 4.17Å; L75-W191 HydrophobicContact CD1-CZ3 3.51Å; L75-W191 HydrophobicContact CD2-CD2 3.41Å; L75-W191 VanDerWaalsContact CD2-CD2 3.41Å; L75-W191 HydrophobicContact CD2-CE3 3.63Å; L75-W191 HydrophobicContact CD2-CG 4.02Å; L75-W191 HydrophobicContact CD2-CH2 3.62Å; L75-W191 HydrophobicContact CD2-CZ2 3.34Å; L75-W191 HydrophobicContact CD2-CZ3 3.79Å; L75-W191 HydrophobicContact CG-CD2 4.14Å; L75-W191 HydrophobicContact CG-CE3 4.02Å; L75-W191 HydrophobicContact CG-CZ3 4.28Å; L75-F195 HydrophobicContact CD2-CD1 3.97Å; L75-F195 HydrophobicContact CD2-CE1 3.55Å; L75-F195 HydrophobicContact CD2-CZ 3.88Å; L75-F195 HydrophobicContact CG-CD1 4.39Å; L75-F195 HydrophobicContact CG-CE1 4.33Å
76F93Very high92.8Very high23 Ų2338.3 Ų38.310%0.10119%0.186CC..EExtended strand (participates in β ladder)trans-115.7115.2159179.6-83.4000107.2I48 L59 F70 A71 G74 C78 V83I48-F76 HydrophobicContact CB-CD1 4.07Å; I48-F76 HydrophobicContact CB-CE1 3.99Å; I48-F76 HydrophobicContact CB-CZ 4.38Å; I48-F76 HydrophobicContact CD1-CD1 4.15Å; I48-F76 HydrophobicContact CD1-CE1 3.83Å; I48-F76 HydrophobicContact CG1-CD1 4.15Å; I48-F76 HydrophobicContact CG1-CE1 3.66Å; I48-F76 HydrophobicContact CG1-CZ 4.15Å; I48-F76 HydrophobicContact CG2-CE1 4.47Å; I48-F76 HydrophobicContact CG2-CZ 4.37Å; L59-F76 HydrophobicContact CD2-CZ 4.29Å; F70-F76 WeakPolarHBondContact CA-O 3.49Å; A71-F76 HydrophobicContact CB-CB 4.1Å; A71-F76 HydrophobicContact CB-CD1 4.07Å; A71-F76 HydrophobicContact CB-CG 4.44Å; A71-F76 PolarHBondContact N-O 3.46Å; A71-F76 PolarHBondContact O-N 2.69Å; G74-F76 PolarHBondContact O-N 3.14Å; F76-C78 HydrophobicContact CE1-CB 4.26Å; F76-V83 HydrophobicContact CD2-CG1 4.32Å; F76-V83 HydrophobicContact CE1-CG2 4.25Å; F76-V83 HydrophobicContact CE2-CG1 3.9Å; F76-V83 HydrophobicContact CE2-CG2 3.8Å; F76-V83 HydrophobicContact CZ-CB 4.48Å; F76-V83 HydrophobicContact CZ-CG1 4.21Å; F76-V83 HydrophobicContact CZ-CG2 3.42Å; F76-V83 VanDerWaalsContact CZ-CG2 3.42Å
77A95.3Very high92.3Very high0 Ų040.9 Ų40.90%020%0.198CC..EExtended strand (participates in β ladder)trans-123121.3-178.500000110.8F70 V83 F84 H85 Y199F70-A77 HydrophobicContact CD1-CB 3.67Å; F70-A77 HydrophobicContact CE1-CB 3.78Å; A77-V83 WeakPolarHBondContact O-CA 3.21Å; A77-F84 HydrophobicContact CB-CD1 4.22Å; A77-F84 HydrophobicContact CB-CD2 4.49Å; A77-F84 HydrophobicContact CB-CE1 3.56Å; A77-F84 HydrophobicContact CB-CE2 3.87Å; A77-F84 HydrophobicContact CB-CZ 3.38Å; A77-F84 WeakPolarHBondContact O-CD1 3.35Å; A77-F84 PolarHBondContact O-N 3.33Å; A77-H85 HydrophobicContact CB-CB 3.98Å; A77-H85 PolarHBondContact N-O 2.9Å; A77-H85 PolarHBondContact O-N 3.22Å; A77-Y199 HydrophobicContact CB-CD2 4.33Å; A77-Y199 HydrophobicContact CB-CE2 4.09Å
78C95.7Very high92.1Very high0 Ų039.7 Ų39.70%019%0.194CC..EExtended strand (participates in β ladder)trans-113.1140.4173.3-162.80000110.2L59 C63 Y68 V69 F76 K82L59-C78 HydrophobicContact CD1-CB 4.12Å; C63-C78 PolarHBondContact SG-SG 3.12Å; Y68-C78 WeakPolarHBondContact CA-O 3.35Å; V69-C78 HydrophobicContact CB-CB 4.32Å; V69-C78 PolarHBondContact N-O 3.05Å; V69-C78 PolarHBondContact O-N 3.2Å; F76-C78 HydrophobicContact CE1-CB 4.26Å; C78-K82 WeakPolarHBondContact CA-O 3.23Å; C78-K82 PolarHBondContact SG-N 3.07Å
79K93.4Very high91.9Very high46 Ų4639.7 Ų39.720%0.219%0.194CC..EExtended strand (participates in β ladder)trans-141.1128.9172.8-179.5-171.9-172.6174.80108.7E67 Y68 N81 K82 F84 D203E67-K79 WeakPolarHBondContact O-CA 3.48Å; Y68-K79 HydrophobicContact CD1-CB 4.06Å; Y68-K79 HydrophobicContact CD1-CD 4.44Å; Y68-K79 HydrophobicContact CD1-CG 4.22Å; Y68-K79 HydrophobicContact CE1-CB 3.99Å; Y68-K79 HydrophobicContact CE1-CD 3.59Å; Y68-K79 HydrophobicContact CE1-CG 3.85Å; Y68-K79 WeakPolarHBondContact OH-CD 3.38Å; Y68-K79 WeakPolarHBondContact OH-CE 3.46Å; Y68-K79 PolarHBondContact OH-NZ 2.83Å; K79-N81 VanDerWaalsContact C-N 3.3Å; K79-N81 PolarHBondContact O-N 2.87Å; K79-K82 PolarHBondContact N-O 3.21Å; K79-K82 PolarHBondContact O-N 3.42Å; K79-F84 HydrophobicContact CB-CD1 3.65Å; K79-F84 HydrophobicContact CB-CE1 3.58Å; K79-D203 IonicContact NZ-OD1 2.69Å; K79-D203 PolarHBondContact NZ-OD1 2.89Å; K79-D203 IonicContact NZ-OD2 2.79Å; K79-D203 PolarHBondContact NZ-OD2 2.81Å
80K84.3Confident91.8Very high151 Ų15142.8 Ų42.866%0.65721%0.209SC*.THydrogen-bonded Turntrans5048.6178.8-62.6177.6179.9-177.60113K82K80-K82 PolarHBondContact O-N 3.21Å
81N85Confident91.6Very high70 Ų7048.7 Ų48.737%0.37424%0.236SC..THydrogen-bonded Turntrans59.124.6-178.2-158.523.5000114.6E60 C63 K79E60-N81 WeakPolarHBondContact CG-ND2 3.33Å; C63-N81 HydrophobicContact CB-CB 4.07Å; C63-N81 VanDerWaalsContact CB-N 3.34Å; C63-N81 PolarHBondContact SG-N 3.2Å; K79-N81 VanDerWaalsContact C-N 3.3Å; K79-N81 PolarHBondContact O-N 2.87Å
82K90.1Very high91.6Very high150 Ų15051.7 Ų51.765%0.65225%0.254SS*.EExtended strand (participates in β ladder)trans-125.5119.5173.7-172177178.8-178.20110.2C78 K79 K80 F84C78-K82 WeakPolarHBondContact CA-O 3.23Å; C78-K82 PolarHBondContact SG-N 3.07Å; K79-K82 PolarHBondContact N-O 3.21Å; K79-K82 PolarHBondContact O-N 3.42Å; K80-K82 PolarHBondContact O-N 3.21Å; K82-F84 PolarHBondContact O-N 2.79Å
83V91.4Very high91.7Very high65 Ų6551 Ų5139%0.39425%0.251SS..EExtended strand (participates in β ladder)trans-66.4116.6166.2-175.30000107.5L59 F76 A77L59-V83 HydrophobicContact CD2-CG2 4.41Å; F76-V83 HydrophobicContact CD2-CG1 4.32Å; F76-V83 HydrophobicContact CE1-CG2 4.25Å; F76-V83 HydrophobicContact CE2-CG1 3.9Å; F76-V83 HydrophobicContact CE2-CG2 3.8Å; F76-V83 HydrophobicContact CZ-CB 4.48Å; F76-V83 HydrophobicContact CZ-CG1 4.21Å; F76-V83 HydrophobicContact CZ-CG2 3.42Å; F76-V83 VanDerWaalsContact CZ-CG2 3.42Å; A77-V83 WeakPolarHBondContact O-CA 3.21Å
84F92.7Very high91.9Very high85 Ų8550.7 Ų50.737%0.37326%0.256SS..EExtended strand (participates in β ladder)trans-113.4-17.5-176.470.1-92.8000112.7Y68 F70 A77 K79 K82 Y199Y68-F84 HydrophobicContact CD1-CE1 4.17Å; Y68-F84 HydrophobicContact CD1-CZ 4.29Å; Y68-F84 HydrophobicContact CE1-CE1 4.26Å; Y68-F84 HydrophobicContact CE1-CZ 4.2Å; F70-F84 HydrophobicContact CE1-CZ 4.15Å; A77-F84 HydrophobicContact CB-CD1 4.22Å; A77-F84 HydrophobicContact CB-CD2 4.49Å; A77-F84 HydrophobicContact CB-CE1 3.56Å; A77-F84 HydrophobicContact CB-CE2 3.87Å; A77-F84 HydrophobicContact CB-CZ 3.38Å; A77-F84 WeakPolarHBondContact O-CD1 3.35Å; A77-F84 PolarHBondContact O-N 3.33Å; K79-F84 HydrophobicContact CB-CD1 3.65Å; K79-F84 HydrophobicContact CB-CE1 3.58Å; K82-F84 PolarHBondContact O-N 2.79Å; F84-Y199 AromaticContact CE2-CD1 3.54Å; F84-Y199 HydrophobicContact CE2-CD1 3.54Å; F84-Y199 HydrophobicContact CE2-CD2 4.45Å; F84-Y199 AromaticContact CE2-CE1 3.96Å; F84-Y199 HydrophobicContact CE2-CE1 3.96Å; F84-Y199 AromaticContact CE2-CG 3.81Å; F84-Y199 HydrophobicContact CE2-CG 3.81Å; F84-Y199 HydrophobicContact CZ-CD1 4.12Å; F84-Y199 HydrophobicContact CZ-CD2 4.31Å; F84-Y199 AromaticContact CZ-CG 3.89Å; F84-Y199 HydrophobicContact CZ-CG 3.89Å
85H90.2Very high92.1Very high44 Ų4455.6 Ų55.620%0.20428%0.279CS..EExtended strand (participates in β ladder)trans-138.2134.4171.6-175.588.9000110.6A77 Q87 Y199A77-H85 HydrophobicContact CB-CB 3.98Å; A77-H85 PolarHBondContact N-O 2.9Å; A77-H85 PolarHBondContact O-N 3.22Å; H85-Q87 WeakPolarHBondContact NE2-CB 3.25Å; H85-Y199 HydrophobicContact CB-CE1 4.15Å; H85-Y199 AromaticContact CD2-CZ 3.97Å; H85-Y199 PolarHBondContact CD2-OH 2.82Å; H85-Y199 AromaticContact CG-CZ 3.87Å; H85-Y199 PolarHBondContact NE2-OH 2.79Å
86S87.9Confident92.4Very high57 Ų5762.9 Ų62.940%0.39931%0.31SS..EExtended strand (participates in β ladder)trans-147.6131.1161.5-154.90000111.8L75 K126L75-S86 WeakPolarHBondContact O-CA 3.33Å; L75-S86 PolarHBondContact O-OG 3.36Å; S86-K126 WeakPolarHBondContact OG-CE 3.37Å; S86-K126 PolarHBondContact OG-NZ 2.8Å
87Q87Confident92.6Very high55 Ų5565.4 Ų65.426%0.25732%0.321SS..  trans-136.6153.5179.8-162.3166.632.400111.5L75 H85 E91 V92 W191L75-Q87 PolarHBondContact O-N 3.19Å; H85-Q87 WeakPolarHBondContact NE2-CB 3.25Å; Q87-E91 WeakPolarHBondContact CA-OE2 3.38Å; Q87-E91 HydrophobicContact CG-CB 4.26Å; Q87-V92 HydrophobicContact CG-CG2 3.82Å; Q87-V92 VanDerWaalsContact NE2-CG2 3.33Å; Q87-W191 HydrophobicContact CB-CZ2 4.42Å; Q87-W191 HydrophobicContact CG-CH2 4.42Å; Q87-W191 HydrophobicContact CG-CZ2 4.21Å
88T91.2Very high92.7Very high21 Ų2165.5 Ų65.513%0.12932%0.322CS..  trans-117.9153.7-179.467.30000111.4Q90 E91 V92 K126T88-Q90 PolarHBondContact O-N 3.36Å; T88-Q90 PolarHBondContact OG1-NE2 3.2Å; T88-E91 PolarHBondContact N-OE2 2.98Å; T88-E91 PolarHBondContact O-N 3.32Å; T88-E91 VanDerWaalsContact O-N 3.12Å; T88-E91 WeakPolarHBondContact OG1-CG 3.35Å; T88-E91 PolarHBondContact OG1-N 3.37Å; T88-E91 PolarHBondContact OG1-OE2 2.91Å; T88-V92 PolarHBondContact O-N 3.02Å; T88-K126 CarbonylContact C-O 3.46Å; T88-K126 WeakPolarHBondContact CA-O 3.36Å; T88-K126 HydrophobicContact CG2-CG 3.87Å
89I94.2Very high92.9Very high0 Ų070.6 Ų70.60%035%0.345CS..Hα-helixtrans-59.5-35.3178.9-173170000111.8E91 V92 I93 L98 F124 K126 L129 L174 P188 W191I89-E91 VanDerWaalsContact C-N 3.33Å; I89-E91 PolarHBondContact O-N 3.32Å; I89-V92 PolarHBondContact O-N 3.11Å; I89-I93 HydrophobicContact CG1-CB 4.49Å; I89-I93 HydrophobicContact CG1-CG1 3.83Å; I89-I93 WeakPolarHBondContact O-CB 3.29Å; I89-I93 WeakPolarHBondContact O-CG1 3.23Å; I89-I93 PolarHBondContact O-N 2.86Å; I89-L98 HydrophobicContact CD1-CD2 4.12Å; I89-L98 HydrophobicContact CG1-CD2 4.13Å; I89-L98 HydrophobicContact CG2-CD1 4.47Å; I89-F124 HydrophobicContact CG2-CD1 4.42Å; I89-F124 HydrophobicContact CG2-CE1 3.43Å; I89-F124 VanDerWaalsContact CG2-CE1 3.43Å; I89-F124 HydrophobicContact CG2-CZ 3.49Å; I89-F124 VanDerWaalsContact CG2-CZ 3.49Å; I89-K126 PolarHBondContact N-O 2.93Å; I89-L129 HydrophobicContact CD1-CG 4.21Å; I89-L174 HydrophobicContact CD1-CD2 4.33Å; I89-P188 HydrophobicContact CG1-CG 4.07Å; I89-W191 HydrophobicContact CB-CZ3 4.21Å
90Q94.7Very high93.1Very high66 Ų6672 Ų7231%0.30835%0.353SS..Hα-helixtrans-67.2-31.4177.266.6-90.49.600113.6T88 G94 L98 F124T88-Q90 PolarHBondContact O-N 3.36Å; T88-Q90 PolarHBondContact OG1-NE2 3.2Å; Q90-G94 WeakPolarHBondContact O-CA 3.47Å; Q90-G94 PolarHBondContact O-N 2.94Å; Q90-L98 HydrophobicContact CB-CD1 3.81Å; Q90-F124 HydrophobicContact CB-CZ 4.46Å; Q90-F124 VanDerWaalsContact OE1-CE1 3.26Å
91E93.8Very high93.8Very high124 Ų12464.8 Ų64.858%0.57932%0.321SS*.Hα-helixtrans-69.5-34.7176.4-73.2161.9154.100111.9Q87 T88 I89Q87-E91 WeakPolarHBondContact CA-OE2 3.38Å; Q87-E91 HydrophobicContact CG-CB 4.26Å; T88-E91 PolarHBondContact N-OE2 2.98Å; T88-E91 PolarHBondContact O-N 3.32Å; T88-E91 VanDerWaalsContact O-N 3.12Å; T88-E91 WeakPolarHBondContact OG1-CG 3.35Å; T88-E91 PolarHBondContact OG1-N 3.37Å; T88-E91 PolarHBondContact OG1-OE2 2.91Å; I89-E91 VanDerWaalsContact C-N 3.33Å; I89-E91 PolarHBondContact O-N 3.32Å
92V93Very high94.4Very high62 Ų6263.1 Ų63.138%0.37631%0.312SS..Hα-helixtrans-84.3-45.2-179.1178.40000112.6Q87 T88 I89 P188 W191Q87-V92 HydrophobicContact CG-CG2 3.82Å; Q87-V92 VanDerWaalsContact NE2-CG2 3.33Å; T88-V92 PolarHBondContact O-N 3.02Å; I89-V92 PolarHBondContact O-N 3.11Å; V92-P188 HydrophobicContact CB-CG 4.26Å; V92-P188 HydrophobicContact CG1-CB 3.99Å; V92-P188 HydrophobicContact CG1-CG 4.11Å; V92-W191 HydrophobicContact CB-CZ2 4.14Å; V92-W191 HydrophobicContact CG2-CH2 3.92Å; V92-W191 HydrophobicContact CG2-CZ2 3.34Å
93I95.7Very high94.8Very high14 Ų1460.9 Ų60.97%0.07231%0.307CS..Hα-helixtrans-90.7-33.4-172-57.3-62.4000111.4I89 K97 L98 L174 P188I89-I93 HydrophobicContact CG1-CB 4.49Å; I89-I93 HydrophobicContact CG1-CG1 3.83Å; I89-I93 WeakPolarHBondContact O-CB 3.29Å; I89-I93 WeakPolarHBondContact O-CG1 3.23Å; I89-I93 PolarHBondContact O-N 2.86Å; I93-K97 HydrophobicContact CG2-CB 3.72Å; I93-K97 HydrophobicContact CG2-CD 4.29Å; I93-K97 WeakPolarHBondContact O-CD 3.43Å; I93-L98 HydrophobicContact CB-CD2 4.04Å; I93-L98 HydrophobicContact CB-CG 4.08Å; I93-L98 HydrophobicContact CG2-CD2 3.75Å; I93-L98 HydrophobicContact CG2-CG 3.86Å; I93-L174 HydrophobicContact CD1-CD2 3.67Å; I93-L174 HydrophobicContact CD1-CG 4.18Å; I93-L174 HydrophobicContact CG1-CD2 3.75Å; I93-L174 HydrophobicContact CG2-CD2 4.31Å; I93-L174 HydrophobicContact CG2-CG 4.49Å; I93-P188 HydrophobicContact CD1-CB 4.09Å; I93-P188 HydrophobicContact CD1-CG 3.95Å; I93-P188 HydrophobicContact CG1-CG 3.9Å
94G96.3Very high95.2Very high27 Ų2759.1 Ų59.128%0.27829%0.294SS..  trans83.1143.2-176.700000113.7Q90 K96 K97 L98Q90-G94 WeakPolarHBondContact O-CA 3.47Å; Q90-G94 PolarHBondContact O-N 2.94Å; G94-K96 VanDerWaalsContact C-N 3.3Å; G94-K96 PolarHBondContact O-N 3.31Å; G94-K97 PolarHBondContact O-N 3.25Å; G94-L98 PolarHBondContact O-N 3.43Å; G94-L98 VanDerWaalsContact O-N 3.13Å
95E97.1Very high95.5Very high102 Ų10255 Ų5548%0.47728%0.276SS..Hα-helixtrans-52.5-42.2-175.8-74.9-60.6150.400113.9K97 L98 Q99E95-K97 PolarHBondContact O-N 2.6Å; E95-L98 PolarHBondContact O-N 2.59Å; E95-Q99 WeakPolarHBondContact O-CB 3.24Å; E95-Q99 VanDerWaalsContact O-CG 3.31Å; E95-Q99 WeakPolarHBondContact O-CG 3.37Å; E95-Q99 PolarHBondContact O-N 2.8Å
96K97.9Very high95.9Very high158 Ų15857 Ų5769%0.68729%0.287SS*.Hα-helixtrans-59.2-49.2-178.2-177.8177.1178.2-179.90111.9G94 Q99 E100G94-K96 VanDerWaalsContact C-N 3.3Å; G94-K96 PolarHBondContact O-N 3.31Å; K96-Q99 PolarHBondContact O-N 2.82Å; K96-E100 WeakPolarHBondContact CE-OE1 3.21Å; K96-E100 WeakPolarHBondContact O-CG 3.47Å; K96-E100 PolarHBondContact O-N 2.88Å
97K97.9Very high96.4Very high77 Ų7758.9 Ų58.934%0.33529%0.291SS..Hα-helixtrans-68-39.7-179.6-77.8179.1172179.60111.2I93 G94 E95 E100 F101 K171 Y172I93-K97 HydrophobicContact CG2-CB 3.72Å; I93-K97 HydrophobicContact CG2-CD 4.29Å; I93-K97 WeakPolarHBondContact O-CD 3.43Å; G94-K97 PolarHBondContact O-N 3.25Å; E95-K97 PolarHBondContact O-N 2.6Å; K97-E100 PolarHBondContact O-N 3.27Å; K97-F101 WeakPolarHBondContact O-CB 3.43Å; K97-F101 PolarHBondContact O-N 3.17Å; K97-K171 VanDerWaalsContact CE-O 3.24Å; K97-K171 WeakPolarHBondContact CE-O 3.39Å; K97-K171 PolarHBondContact NZ-O 3.25Å; K97-Y172 HydrophobicContact CB-CD1 3.98Å; K97-Y172 HydrophobicContact CB-CE1 4.19Å; K97-Y172 HydrophobicContact CD-CD1 4.14Å; K97-Y172 HydrophobicContact CG-CD1 3.89Å; K97-Y172 HydrophobicContact CG-CE1 3.98Å
98L98.1Very high96.9Very high1 Ų159 Ų591%0.00529%0.29CS..Hα-helixtrans-64.7-43176.7-69.9178.3000112.1I89 Q90 I93 G94 E95 F101 I102 F124 L129I89-L98 HydrophobicContact CD1-CD2 4.12Å; I89-L98 HydrophobicContact CG1-CD2 4.13Å; I89-L98 HydrophobicContact CG2-CD1 4.47Å; Q90-L98 HydrophobicContact CB-CD1 3.81Å; I93-L98 HydrophobicContact CB-CD2 4.04Å; I93-L98 HydrophobicContact CB-CG 4.08Å; I93-L98 HydrophobicContact CG2-CD2 3.75Å; I93-L98 HydrophobicContact CG2-CG 3.86Å; G94-L98 PolarHBondContact O-N 3.43Å; G94-L98 VanDerWaalsContact O-N 3.13Å; E95-L98 PolarHBondContact O-N 2.59Å; L98-F101 PolarHBondContact O-N 2.74Å; L98-I102 WeakPolarHBondContact O-CB 3.47Å; L98-I102 WeakPolarHBondContact O-CG1 3.33Å; L98-I102 PolarHBondContact O-N 3.22Å; L98-F124 HydrophobicContact CD1-CE2 4.17Å; L98-F124 HydrophobicContact CD1-CZ 3.98Å; L98-L129 HydrophobicContact CD2-CD1 4.26Å
99Q98.4Very high97.2Very high107 Ų10758.5 Ų58.550%0.529%0.286SS..Hα-helixtrans-64.2-43.7175.4-72.6-179.133.500111.9E95 K96 F101 I102 N103E95-Q99 WeakPolarHBondContact O-CB 3.24Å; E95-Q99 VanDerWaalsContact O-CG 3.31Å; E95-Q99 WeakPolarHBondContact O-CG 3.37Å; E95-Q99 PolarHBondContact O-N 2.8Å; K96-Q99 PolarHBondContact O-N 2.82Å; Q99-F101 VanDerWaalsContact C-N 3.29Å; Q99-F101 PolarHBondContact O-N 3.15Å; Q99-I102 PolarHBondContact O-N 3.27Å; Q99-N103 WeakPolarHBondContact O-CB 3.39Å; Q99-N103 PolarHBondContact O-N 2.73Å; Q99-N103 PolarHBondContact O-ND2 3.35Å
100E98.4Very high97.4Very high75 Ų7562.2 Ų62.235%0.3531%0.312SS..Hα-helixtrans-56.1-45.3173.5-76.1175.5-163.300111.5K96 K97 Y104 Y172K96-E100 WeakPolarHBondContact CE-OE1 3.21Å; K96-E100 WeakPolarHBondContact O-CG 3.47Å; K96-E100 PolarHBondContact O-N 2.88Å; K97-E100 PolarHBondContact O-N 3.27Å; E100-Y104 PolarHBondContact O-N 3.2Å; E100-Y172 PolarHBondContact OE2-OH 2.86Å
101F98.6Very high97.5Very high0 Ų067 Ų670%033%0.331CS..Hα-helixtrans-63.6-51.9177.3-177-94.2000112.3K97 L98 Q99 N103 Y104 C105 L129 I131 L163 F167 L174 M176 V186K97-F101 WeakPolarHBondContact O-CB 3.43Å; K97-F101 PolarHBondContact O-N 3.17Å; L98-F101 PolarHBondContact O-N 2.74Å; Q99-F101 VanDerWaalsContact C-N 3.29Å; Q99-F101 PolarHBondContact O-N 3.15Å; F101-N103 PolarHBondContact O-N 3.39Å; F101-Y104 WeakPolarHBondContact O-CB 3.48Å; F101-Y104 PolarHBondContact O-N 2.88Å; F101-C105 WeakPolarHBondContact CE1-SG 3.34Å; F101-C105 VanDerWaalsContact CZ-SG 3.53Å; F101-C105 PolarHBondContact O-N 3.45Å; F101-C105 PolarHBondContact O-SG 3.29Å; F101-L129 HydrophobicContact CD1-CD1 3.68Å; F101-L129 HydrophobicContact CE1-CD1 3.9Å; F101-I131 HydrophobicContact CE1-CD1 4.1Å; F101-I131 HydrophobicContact CE1-CG1 4.16Å; F101-L163 HydrophobicContact CE2-CD2 3.86Å; F101-L163 HydrophobicContact CZ-CD1 4.26Å; F101-L163 HydrophobicContact CZ-CD2 4.15Å; F101-F167 HydrophobicContact CB-CE1 4.22Å; F101-F167 HydrophobicContact CB-CZ 4.38Å; F101-F167 HydrophobicContact CD2-CB 4.4Å; F101-F167 HydrophobicContact CD2-CD1 4.07Å; F101-F167 AromaticContact CD2-CD2 3.62Å; F101-F167 HydrophobicContact CD2-CD2 3.62Å; F101-F167 HydrophobicContact CD2-CE1 4.26Å; F101-F167 AromaticContact CD2-CE2 3.82Å; F101-F167 HydrophobicContact CD2-CE2 3.82Å; F101-F167 AromaticContact CD2-CG 3.76Å; F101-F167 HydrophobicContact CD2-CG 3.76Å; F101-F167 HydrophobicContact CD2-CZ 4.15Å; F101-F167 AromaticContact CE2-CD2 3.92Å; F101-F167 HydrophobicContact CE2-CD2 3.92Å; F101-F167 HydrophobicContact CE2-CE2 4.3Å; F101-F167 HydrophobicContact CE2-CG 4.31Å; F101-L174 HydrophobicContact CD2-CD1 3.97Å; F101-L174 HydrophobicContact CE2-CD1 4.45Å; F101-L174 HydrophobicContact CG-CD1 4.19Å; F101-M176 HydrophobicContact CD2-CE 4.29Å; F101-M176 HydrophobicContact CE2-CE 3.65Å; F101-M176 HydrophobicContact CE2-SD 3.91Å; F101-M176 HydrophobicContact CZ-SD 4.35Å; F101-V186 HydrophobicContact CE1-CB 4.32Å; F101-V186 HydrophobicContact CE1-CG1 3.93Å; F101-V186 HydrophobicContact CE1-CG2 3.96Å; F101-V186 HydrophobicContact CE2-CG1 4.28Å; F101-V186 HydrophobicContact CZ-CB 4.23Å; F101-V186 HydrophobicContact CZ-CG1 3.77Å; F101-V186 HydrophobicContact CZ-CG2 3.6Å
102I98.6Very high97.6Very high35 Ų3562.3 Ų62.318%0.17931%0.31CS..Hα-helixtrans-63.1-44.6-177.6-69.2166000110.8L98 Q99 Y104 C105 L106 V122 F124 L129L98-I102 WeakPolarHBondContact O-CB 3.47Å; L98-I102 WeakPolarHBondContact O-CG1 3.33Å; L98-I102 PolarHBondContact O-N 3.22Å; Q99-I102 PolarHBondContact O-N 3.27Å; I102-Y104 VanDerWaalsContact C-N 3.25Å; I102-Y104 PolarHBondContact O-N 3.05Å; I102-C105 PolarHBondContact O-N 3.13Å; I102-C105 VanDerWaalsContact O-N 3.17Å; I102-L106 HydrophobicContact CG2-CD1 3.88Å; I102-L106 HydrophobicContact CG2-CG 4.27Å; I102-L106 WeakPolarHBondContact O-CG 3.39Å; I102-L106 PolarHBondContact O-N 3.45Å; I102-V122 HydrophobicContact CG1-CG1 4.33Å; I102-V122 HydrophobicContact CG2-CG1 4.49Å; I102-F124 HydrophobicContact CD1-CD2 4.27Å; I102-F124 HydrophobicContact CD1-CE2 4.33Å; I102-L129 HydrophobicContact CD1-CD1 4.32Å; I102-L129 HydrophobicContact CG1-CD1 4.02Å
103N98.6Very high97.9Very high103 Ų10367.6 Ų67.655%0.55133%0.331SS*.Hα-helixtrans-57.9-41.5176.7-74-21.8000111.3Q99 F101 M107Q99-N103 WeakPolarHBondContact O-CB 3.39Å; Q99-N103 PolarHBondContact O-N 2.73Å; Q99-N103 PolarHBondContact O-ND2 3.35Å; F101-N103 PolarHBondContact O-N 3.39Å; N103-M107 WeakPolarHBondContact O-CB 3.32Å; N103-M107 PolarHBondContact O-N 2.85Å
104Y98.7Very high98Very high28 Ų2868.2 Ų68.211%0.1133%0.334CS..Hα-helixtrans-65.7-45.9176-170.3-94.9000112.3E100 F101 I102 L106 M107 Y108 D162 L163 R166 F167E100-Y104 PolarHBondContact O-N 3.2Å; F101-Y104 WeakPolarHBondContact O-CB 3.48Å; F101-Y104 PolarHBondContact O-N 2.88Å; I102-Y104 VanDerWaalsContact C-N 3.25Å; I102-Y104 PolarHBondContact O-N 3.05Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 3.43Å; Y104-M107 HydrophobicContact CD2-CE 3.25Å; Y104-M107 HydrophobicContact CE2-CE 3.59Å; Y104-M107 HydrophobicContact CG-CE 4.09Å; Y104-M107 PolarHBondContact O-N 3.05Å; Y104-Y108 HydrophobicContact CE1-CD2 4.06Å; Y104-Y108 VanDerWaalsContact O-CB 3.29Å; Y104-Y108 WeakPolarHBondContact O-CB 3.41Å; Y104-Y108 PolarHBondContact O-N 2.9Å; Y104-D162 WeakPolarHBondContact CE1-OD1 3.49Å; Y104-D162 PolarHBondContact OH-OD1 2.84Å; Y104-L163 HydrophobicContact CD1-CD2 3.77Å; Y104-L163 HydrophobicContact CE1-CD2 4.09Å; Y104-R166 HydrophobicContact CD2-CG 4.19Å; Y104-R166 HydrophobicContact CE1-CB 4.44Å; Y104-R166 HydrophobicContact CE1-CG 4.35Å; Y104-R166 HydrophobicContact CE2-CG 4.04Å; Y104-R166 HydrophobicContact CG-CG 4.43Å; Y104-F167 AromaticContact CD1-CE2 3.59Å; Y104-F167 HydrophobicContact CD1-CE2 3.59Å; Y104-F167 HydrophobicContact CD1-CZ 4.23Å; Y104-F167 HydrophobicContact CE1-CE2 4.35Å; Y104-F167 AromaticContact CG-CE2 3.71Å; Y104-F167 HydrophobicContact CG-CE2 3.71Å; Y104-F167 AromaticContact CG-CZ 3.87Å; Y104-F167 HydrophobicContact CG-CZ 3.87Å
105C98.6Very high98.1Very high0 Ų071.2 Ų71.20%035%0.349CS..Hα-helixtrans-57.7-46177.1-73.90000112F101 I102 Y108 M109 I131 F159F101-C105 WeakPolarHBondContact CE1-SG 3.34Å; F101-C105 VanDerWaalsContact CZ-SG 3.53Å; F101-C105 PolarHBondContact O-N 3.45Å; F101-C105 PolarHBondContact O-SG 3.29Å; I102-C105 PolarHBondContact O-N 3.13Å; I102-C105 VanDerWaalsContact O-N 3.17Å; C105-Y108 PolarHBondContact O-N 3.02Å; C105-M109 HydrophobicContact CB-CE 4.24Å; C105-M109 WeakPolarHBondContact O-CB 3.19Å; C105-M109 WeakPolarHBondContact O-CE 3.33Å; C105-M109 WeakPolarHBondContact O-CG 3.38Å; C105-M109 PolarHBondContact O-N 3.36Å; C105-I131 HydrophobicContact CB-CG2 4.28Å; C105-F159 HydrophobicContact CB-CZ 4.18Å
106L98.6Very high98.1Very high84 Ų8467.7 Ų67.744%0.4433%0.334SS..Hα-helixtrans-63-46.5178.1-69172.8000111.8I102 Y104 S110 V122I102-L106 HydrophobicContact CG2-CD1 3.88Å; I102-L106 HydrophobicContact CG2-CG 4.27Å; I102-L106 WeakPolarHBondContact O-CG 3.39Å; I102-L106 PolarHBondContact O-N 3.45Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 3.43Å; L106-S110 WeakPolarHBondContact O-CB 3.36Å; L106-S110 PolarHBondContact O-N 2.96Å; L106-V122 HydrophobicContact CD2-CG2 3.99Å; L106-V122 HydrophobicContact CG-CG2 4.42Å
107M98.5Very high98.1Very high98 Ų9863.9 Ų63.948%0.48332%0.318SS..Hα-helixtrans-60.7-46.7175.5174.5-170.741.900111.7N103 Y104 S110 K111N103-M107 WeakPolarHBondContact O-CB 3.32Å; N103-M107 PolarHBondContact O-N 2.85Å; Y104-M107 HydrophobicContact CD2-CE 3.25Å; Y104-M107 HydrophobicContact CE2-CE 3.59Å; Y104-M107 HydrophobicContact CG-CE 4.09Å; Y104-M107 PolarHBondContact O-N 3.05Å; M107-S110 PolarHBondContact O-N 3.3Å; M107-S110 PolarHBondContact O-OG 3.43Å; M107-K111 PolarHBondContact O-N 2.78Å
108Y98.5Very high98.1Very high57 Ų5765.7 Ų65.722%0.22432%0.322CS..Hα-helixtrans-60.1-52.5-179.7-170.4-79.2000109.6Y104 C105 S110 K111 I112 F159 D162Y104-Y108 HydrophobicContact CE1-CD2 4.06Å; Y104-Y108 VanDerWaalsContact O-CB 3.29Å; Y104-Y108 WeakPolarHBondContact O-CB 3.41Å; Y104-Y108 PolarHBondContact O-N 2.9Å; C105-Y108 PolarHBondContact O-N 3.02Å; Y108-S110 PolarHBondContact O-N 3.48Å; Y108-K111 PolarHBondContact O-N 3.22Å; Y108-I112 HydrophobicContact CD1-CD1 3.57Å; Y108-I112 HydrophobicContact CD1-CG1 3.74Å; Y108-I112 HydrophobicContact CE1-CD1 3.42Å; Y108-I112 VanDerWaalsContact CE1-CD1 3.42Å; Y108-I112 HydrophobicContact CE1-CG1 3.62Å; Y108-I112 WeakPolarHBondContact O-CG1 3.34Å; Y108-I112 PolarHBondContact O-N 3.37Å; Y108-F159 HydrophobicContact CD1-CB 4.44Å; Y108-F159 HydrophobicContact CD1-CD1 4.18Å; Y108-F159 AromaticContact CD1-CD2 3.24Å; Y108-F159 HydrophobicContact CD1-CD2 3.24Å; Y108-F159 HydrophobicContact CD1-CE1 4.23Å; Y108-F159 AromaticContact CD1-CE2 3.32Å; Y108-F159 HydrophobicContact CD1-CE2 3.32Å; Y108-F159 AromaticContact CD1-CG 3.72Å; Y108-F159 HydrophobicContact CD1-CG 3.72Å; Y108-F159 AromaticContact CD1-CZ 3.84Å; Y108-F159 HydrophobicContact CD1-CZ 3.84Å; Y108-F159 HydrophobicContact CD2-CD2 4.03Å; Y108-F159 HydrophobicContact CD2-CE2 4.07Å; Y108-F159 HydrophobicContact CE1-CB 3.74Å; Y108-F159 HydrophobicContact CE1-CD1 4.26Å; Y108-F159 AromaticContact CE1-CD2 3.32Å; Y108-F159 HydrophobicContact CE1-CD2 3.32Å; Y108-F159 AromaticContact CE1-CE2 3.93Å; Y108-F159 HydrophobicContact CE1-CE2 3.93Å; Y108-F159 AromaticContact CE1-CG 3.52Å; Y108-F159 HydrophobicContact CE1-CG 3.52Å; Y108-F159 HydrophobicContact CE2-CD2 4.09Å; Y108-F159 AromaticContact CG-CD2 3.64Å; Y108-F159 HydrophobicContact CG-CD2 3.64Å; Y108-F159 AromaticContact CG-CE2 3.42Å; Y108-F159 HydrophobicContact CG-CE2 3.42Å; Y108-F159 VanDerWaalsContact CG-CE2 3.42Å; Y108-F159 HydrophobicContact CG-CZ 4.15Å; Y108-F159 AromaticContact CZ-CD2 3.76Å; Y108-D162 HydrophobicContact CE2-CB 3.92Å; Y108-D162 WeakPolarHBondContact CE2-OD1 3.21Å
109M98Very high98.1Very high11 Ų1166.5 Ų66.55%0.05433%0.331CS..Hα-helixtrans-64-23.7177.8-69.2-173.3-67.800113.6C105 K111 I112 K117 F121 V122 I131 F159C105-M109 HydrophobicContact CB-CE 4.24Å; C105-M109 WeakPolarHBondContact O-CB 3.19Å; C105-M109 WeakPolarHBondContact O-CE 3.33Å; C105-M109 WeakPolarHBondContact O-CG 3.38Å; C105-M109 PolarHBondContact O-N 3.36Å; M109-K111 PolarHBondContact O-N 2.97Å; M109-I112 HydrophobicContact CG-CD1 4.46Å; M109-K117 PolarHBondContact O-NZ 3Å; M109-F121 HydrophobicContact CE-CB 3.63Å; M109-F121 HydrophobicContact SD-CB 3.99Å; M109-V122 HydrophobicContact CE-CG2 3.91Å; M109-I131 HydrophobicContact CE-CG2 3.87Å; M109-I131 HydrophobicContact SD-CG2 3.93Å; M109-F159 HydrophobicContact CG-CE1 3.75Å; M109-F159 HydrophobicContact CG-CZ 4.09Å; M109-F159 HydrophobicContact SD-CE1 4.13Å
110S97.6Very high98Very high77 Ų7764.4 Ų64.454%0.53832%0.323SS..Hα-helixtrans-69.4-22173.290.60000112.5L106 M107 Y108L106-S110 WeakPolarHBondContact O-CB 3.36Å; L106-S110 PolarHBondContact O-N 2.96Å; M107-S110 PolarHBondContact O-N 3.3Å; M107-S110 PolarHBondContact O-OG 3.43Å; Y108-S110 PolarHBondContact O-N 3.48Å
111K97.7Very high98Very high166 Ų16663.6 Ų63.672%0.72232%0.319SS*.Hα-helixtrans-100.8-24.3-177.2-61.2-59.6-177.1-177.70114.1M107 Y108 M109 E113M107-K111 PolarHBondContact O-N 2.78Å; Y108-K111 PolarHBondContact O-N 3.22Å; M109-K111 PolarHBondContact O-N 2.97Å; K111-E113 PolarHBondContact O-N 3.23Å
112I96Very high98Very high27 Ų2765.2 Ų65.214%0.13833%0.329CS..  trans-64.5129.1174.2-46.8173.4000109.2Y108 M109 L114 K117 P133 I155Y108-I112 HydrophobicContact CD1-CD1 3.57Å; Y108-I112 HydrophobicContact CD1-CG1 3.74Å; Y108-I112 HydrophobicContact CE1-CD1 3.42Å; Y108-I112 VanDerWaalsContact CE1-CD1 3.42Å; Y108-I112 HydrophobicContact CE1-CG1 3.62Å; Y108-I112 WeakPolarHBondContact O-CG1 3.34Å; Y108-I112 PolarHBondContact O-N 3.37Å; M109-I112 HydrophobicContact CG-CD1 4.46Å; I112-L114 HydrophobicContact CG2-CD2 3.86Å; I112-L114 HydrophobicContact CG2-CG 3.99Å; I112-K117 WeakPolarHBondContact O-CE 3.24Å; I112-K117 PolarHBondContact O-NZ 2.72Å; I112-P133 HydrophobicContact CD1-CB 4.48Å; I112-I155 HydrophobicContact CD1-CG2 4.27Å; I112-I155 HydrophobicContact CG2-CD1 4.39Å; I112-I155 HydrophobicContact CG2-CG2 4.35Å
113E97.4Very high97.9Very high173 Ų17365.6 Ų65.681%0.80833%0.329SS*.  trans-87.2130.1165.6-70-176.5178.200109.7K111K111-E113 PolarHBondContact O-N 3.23Å
114L98.3Very high97.7Very high27 Ų2765 Ų6514%0.14132%0.322CS..  trans-131.6152.1178.4-65176.8000108.3I112 V116 K117 P133 F146 Y149 I155I112-L114 HydrophobicContact CG2-CD2 3.86Å; I112-L114 HydrophobicContact CG2-CG 3.99Å; L114-V116 WeakPolarHBondContact CB-O 3.41Å; L114-V116 PolarHBondContact O-N 3.2Å; L114-V116 VanDerWaalsContact O-N 3.16Å; L114-K117 HydrophobicContact CB-CG 4.35Å; L114-K117 HydrophobicContact CD1-CG 4.35Å; L114-P133 HydrophobicContact CD1-CB 3.92Å; L114-P133 WeakPolarHBondContact CD1-O 3.34Å; L114-F146 HydrophobicContact CD1-CE2 4.17Å; L114-F146 HydrophobicContact CD2-CE2 4.23Å; L114-Y149 HydrophobicContact CD2-CD1 4.42Å; L114-Y149 HydrophobicContact CD2-CE1 4.06Å; L114-I155 HydrophobicContact CD2-CD1 4.13Å; L114-I155 HydrophobicContact CD2-CG1 3.98Å; L114-I155 HydrophobicContact CD2-CG2 4.09Å
115P98.2Very high97.1Very high89 Ų8968.1 Ų68.158%0.57833%0.334SS*.SBendtrans-54-35.8172.9-25.133.9000112.1Y149P115-Y149 HydrophobicContact CG-CD1 4.44Å; P115-Y149 HydrophobicContact CG-CD2 3.49Å; P115-Y149 VanDerWaalsContact CG-CD2 3.49Å; P115-Y149 HydrophobicContact CG-CE1 4.42Å; P115-Y149 HydrophobicContact CG-CE2 3.47Å; P115-Y149 VanDerWaalsContact CG-CE2 3.47Å; P115-Y149 HydrophobicContact CG-CG 4.01Å
116V97.8Very high96.5Very high29 Ų2971.4 Ų71.418%0.17635%0.348CS..  trans-141.7140-177.4171.30000110.4L114 R118 I134 E142L114-V116 WeakPolarHBondContact CB-O 3.41Å; L114-V116 PolarHBondContact O-N 3.2Å; L114-V116 VanDerWaalsContact O-N 3.16Å; V116-R118 HydrophobicContact CG1-CG 3.95Å; V116-I134 HydrophobicContact CB-CD1 4.43Å; V116-I134 HydrophobicContact CG1-CD1 4.25Å; V116-I134 HydrophobicContact CG1-CG1 4.42Å; V116-E142 HydrophobicContact CG1-CG 4.49Å
117K98.5Very high95.9Very high77 Ų7767.8 Ų67.834%0.33533%0.331SS..  trans-127142.9162.4-64.3-173.6-176-177.50109.3M109 I112 L114 F121M109-K117 PolarHBondContact O-NZ 3Å; I112-K117 WeakPolarHBondContact O-CE 3.24Å; I112-K117 PolarHBondContact O-NZ 2.72Å; L114-K117 HydrophobicContact CB-CG 4.35Å; L114-K117 HydrophobicContact CD1-CG 4.35Å; K117-F121 HydrophobicContact CB-CE1 4.2Å; K117-F121 HydrophobicContact CB-CZ 4.19Å
118R97.8Very high95.6Very high115 Ų11564.8 Ų64.843%0.43432%0.316SS..  trans-122-111.3-179.3-65.9-76.5175.7-94.21.4109.7V116 F121 I134 C138 E142V116-R118 HydrophobicContact CG1-CG 3.95Å; R118-F121 VanDerWaalsContact O-CZ 3.23Å; R118-F121 WeakPolarHBondContact O-CZ 3.48Å; R118-I134 PolarHBondContact N-O 2.95Å; R118-C138 HydrophobicContact CB-CB 4.42Å; R118-C138 HydrophobicContact CG-CB 3.99Å; R118-E142 WeakPolarHBondContact CD-OE2 3.3Å; R118-E142 WeakPolarHBondContact CG-OE2 3.4Å; R118-E142 IonicContact CZ-OE1 3.48Å; R118-E142 IonicContact CZ-OE2 2.62Å; R118-E142 IonicContact NE-OE1 2.71Å; R118-E142 PolarHBondContact NE-OE1 3.48Å; R118-E142 IonicContact NE-OE2 3.12Å; R118-E142 PolarHBondContact NE-OE2 3.17Å; R118-E142 VanDerWaalsContact NH2-CD 3.34Å; R118-E142 IonicContact NH2-OE1 3.86Å; R118-E142 PolarHBondContact NH2-OE1 3.06Å; R118-E142 IonicContact NH2-OE2 2.84Å
119G97.2Very high95.4Very high18 Ų1862.1 Ų62.119%0.18631%0.305CS..SBendtrans-156.5176.7-177.800000111.3G135 R136 S137G119-G135 CarbonylContact O-C 3.04Å; G119-G135 WeakPolarHBondContact O-CA 3.16Å; G119-R136 PolarHBondContact O-N 2.87Å; G119-S137 PolarHBondContact O-N 3.06Å; G119-S137 PolarHBondContact O-OG 3.37Å
120N97.2Very high95.3Very high63 Ų6361.7 Ų61.734%0.33730%0.304SS..  trans56.158.6-172.2-166.814.8000111.5E123 R136N120-E123 PolarHBondContact ND2-OE1 2.97Å; N120-E123 VanDerWaalsContact ND2-OE1 3.15Å; N120-R136 HydrophobicContact CB-CB 4.14Å; N120-R136 PolarHBondContact O-N 3.1Å
121F98.3Very high95.4Very high59 Ų5958 Ų5826%0.25928%0.278SS..SBendtrans-76.8-29.2179.1-56.1-75.9000112.7M109 K117 R118 I131 S132M109-F121 HydrophobicContact CE-CB 3.63Å; M109-F121 HydrophobicContact SD-CB 3.99Å; K117-F121 HydrophobicContact CB-CE1 4.2Å; K117-F121 HydrophobicContact CB-CZ 4.19Å; R118-F121 VanDerWaalsContact O-CZ 3.23Å; R118-F121 WeakPolarHBondContact O-CZ 3.48Å; F121-I131 CarbonylContact O-C 3.55Å; F121-I131 WeakPolarHBondContact O-CA 3.33Å; F121-S132 WeakPolarHBondContact CD1-O 3.32Å; F121-S132 PolarHBondContact O-N 2.82Å
122V98.3Very high95.4Very high34 Ų3450.1 Ų50.121%0.20624%0.244CC..EExtended strand (participates in β ladder)trans-126.9109.7174.9-179.30000106.5I102 L106 M109 I131I102-V122 HydrophobicContact CG1-CG1 4.33Å; I102-V122 HydrophobicContact CG2-CG1 4.49Å; L106-V122 HydrophobicContact CD2-CG2 3.99Å; L106-V122 HydrophobicContact CG-CG2 4.42Å; M109-V122 HydrophobicContact CE-CG2 3.91Å; V122-I131 HydrophobicContact CB-CD1 4.24Å; V122-I131 HydrophobicContact CG1-CD1 3.81Å; V122-I131 HydrophobicContact CG2-CD1 3.96Å
123E95.9Very high95.5Very high42 Ų4248.9 Ų48.920%0.19624%0.237CC..EExtended strand (participates in β ladder)trans-101.7115.1173.9-175177.6-99.500108.2N120 R125 L129 N130 R136N120-E123 PolarHBondContact ND2-OE1 2.97Å; N120-E123 VanDerWaalsContact ND2-OE1 3.15Å; E123-R125 HydrophobicContact CG-CG 4.3Å; E123-R125 IonicContact OE2-CZ 3.8Å; E123-R125 IonicContact OE2-NE 3.17Å; E123-R125 PolarHBondContact OE2-NE 3.2Å; E123-R125 IonicContact OE2-NH2 2.87Å; E123-R125 PolarHBondContact OE2-NH2 3.48Å; E123-L129 WeakPolarHBondContact O-CA 3.36Å; E123-N130 HydrophobicContact CB-CB 4.23Å; E123-N130 PolarHBondContact N-O 3.48Å; E123-N130 PolarHBondContact O-N 2.92Å; E123-R136 WeakPolarHBondContact OE1-CD 3.25Å; E123-R136 IonicContact OE1-CZ 3.74Å; E123-R136 IonicContact OE1-NE 3.89Å; E123-R136 PolarHBondContact OE1-NE 3.34Å; E123-R136 IonicContact OE2-CZ 2.69Å; E123-R136 IonicContact OE2-NE 2.9Å; E123-R136 PolarHBondContact OE2-NE 2.97Å; E123-R136 VanDerWaalsContact OE2-NE 3.08Å; E123-R136 IonicContact OE2-NH2 3.83Å
124F94Very high95.6Very high92 Ų9240.8 Ų40.840%0.40420%0.199SC..EExtended strand (participates in β ladder)trans-86.8117.2176.7-157-65.8000108.9I89 Q90 L98 I102 L129I89-F124 HydrophobicContact CG2-CD1 4.42Å; I89-F124 HydrophobicContact CG2-CE1 3.43Å; I89-F124 VanDerWaalsContact CG2-CE1 3.43Å; I89-F124 HydrophobicContact CG2-CZ 3.49Å; I89-F124 VanDerWaalsContact CG2-CZ 3.49Å; Q90-F124 HydrophobicContact CB-CZ 4.46Å; Q90-F124 VanDerWaalsContact OE1-CE1 3.26Å; L98-F124 HydrophobicContact CD1-CE2 4.17Å; L98-F124 HydrophobicContact CD1-CZ 3.98Å; I102-F124 HydrophobicContact CD1-CD2 4.27Å; I102-F124 HydrophobicContact CD1-CE2 4.33Å; F124-L129 HydrophobicContact CB-CD2 4.08Å; F124-L129 HydrophobicContact CD1-CD2 4.23Å; F124-L129 HydrophobicContact CD2-CD2 3.23Å; F124-L129 HydrophobicContact CE2-CD2 3.6Å; F124-L129 HydrophobicContact CG-CD2 3.59Å; F124-L129 HydrophobicContact CZ-CD2 4.23Å
125R87Confident95.6Very high92 Ų9239.5 Ų39.535%0.34719%0.193SC..  trans-112.8167.7173.3-55.1-176.6-176.1165.23109.2E123 M128E123-R125 HydrophobicContact CG-CG 4.3Å; E123-R125 IonicContact OE2-CZ 3.8Å; E123-R125 IonicContact OE2-NE 3.17Å; E123-R125 PolarHBondContact OE2-NE 3.2Å; E123-R125 IonicContact OE2-NH2 2.87Å; E123-R125 PolarHBondContact OE2-NH2 3.48Å; R125-M128 CarbonylContact C-O 3.43Å; R125-M128 WeakPolarHBondContact CA-O 3.47Å; R125-M128 HydrophobicContact CB-CG 4.01Å; R125-M128 WeakPolarHBondContact CB-O 3.43Å; R125-M128 HydrophobicContact CG-CG 4.4Å; R125-M128 PolarHBondContact N-O 3.3Å; R125-M128 PolarHBondContact O-N 2.99Å
126K85.2Confident95.5Very high70 Ų7038.9 Ų38.930%0.30418%0.179SC..SBendtrans-60.8-48.8-178.7-172.8-174.7177.7-175.60112E72 S86 T88 I89E72-K126 WeakPolarHBondContact OE1-CD 3.48Å; E72-K126 IonicContact OE1-NZ 3.89Å; E72-K126 WeakPolarHBondContact OE2-CB 3.42Å; S86-K126 WeakPolarHBondContact OG-CE 3.37Å; S86-K126 PolarHBondContact OG-NZ 2.8Å; T88-K126 CarbonylContact C-O 3.46Å; T88-K126 WeakPolarHBondContact CA-O 3.36Å; T88-K126 HydrophobicContact CG2-CG 3.87Å; I89-K126 PolarHBondContact N-O 2.93Å
127G86.9Confident95.5Very high7 Ų741.3 Ų41.37%0.07220%0.197CC..SBendtrans-85.8-14.2179.300000116.3W191G127-W191 WeakPolarHBondContact O-CZ3 3.16Å
128M91.5Very high95.5Very high36 Ų3638.4 Ų38.418%0.17719%0.186CC..  trans-165.2166.1-164.467.8-171.9-44.700113.3R125 D185 V186 F187R125-M128 CarbonylContact C-O 3.43Å; R125-M128 WeakPolarHBondContact CA-O 3.47Å; R125-M128 HydrophobicContact CB-CG 4.01Å; R125-M128 WeakPolarHBondContact CB-O 3.43Å; R125-M128 HydrophobicContact CG-CG 4.4Å; R125-M128 PolarHBondContact N-O 3.3Å; R125-M128 PolarHBondContact O-N 2.99Å; M128-D185 HydrophobicContact CE-CB 3.34Å; M128-D185 WeakPolarHBondContact CE-OD1 3.42Å; M128-V186 CarbonylContact C-O 3.57Å; M128-V186 VanDerWaalsContact CA-O 3.32Å; M128-V186 WeakPolarHBondContact CA-O 3.43Å; M128-V186 WeakPolarHBondContact CB-O 3.26Å; M128-F187 HydrophobicContact CB-CB 3.97Å; M128-F187 HydrophobicContact CE-CD1 4.05Å
129L95.4Very high95.5Very high0 Ų035.9 Ų35.90%018%0.184CC..EExtended strand (participates in β ladder)trans-102.9142.7159.7-51.6175000109.6I89 L98 F101 I102 E123 F124 I131 V186I89-L129 HydrophobicContact CD1-CG 4.21Å; L98-L129 HydrophobicContact CD2-CD1 4.26Å; F101-L129 HydrophobicContact CD1-CD1 3.68Å; F101-L129 HydrophobicContact CE1-CD1 3.9Å; I102-L129 HydrophobicContact CD1-CD1 4.32Å; I102-L129 HydrophobicContact CG1-CD1 4.02Å; E123-L129 WeakPolarHBondContact O-CA 3.36Å; F124-L129 HydrophobicContact CB-CD2 4.08Å; F124-L129 HydrophobicContact CD1-CD2 4.23Å; F124-L129 HydrophobicContact CD2-CD2 3.23Å; F124-L129 HydrophobicContact CE2-CD2 3.6Å; F124-L129 HydrophobicContact CG-CD2 3.59Å; F124-L129 HydrophobicContact CZ-CD2 4.23Å; L129-I131 HydrophobicContact CB-CD1 4.09Å; L129-V186 HydrophobicContact CB-CB 4.2Å; L129-V186 PolarHBondContact N-O 3.24Å; L129-V186 PolarHBondContact O-N 2.78Å
130N95.5Very high95.4Very high3 Ų341.7 Ų41.72%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-113.2119.9166.6-172.3-101.3000109E123 R136 S183 D185E123-N130 HydrophobicContact CB-CB 4.23Å; E123-N130 PolarHBondContact N-O 3.48Å; E123-N130 PolarHBondContact O-N 2.92Å; N130-R136 WeakPolarHBondContact OD1-CD 3.47Å; N130-R136 PolarHBondContact OD1-NH1 3.07Å; N130-R136 VanDerWaalsContact OD1-NH1 3.15Å; N130-S183 VanDerWaalsContact CG-OG 3.3Å; N130-S183 WeakPolarHBondContact ND2-CB 3.24Å; N130-S183 PolarHBondContact ND2-OG 3.44Å; N130-S183 WeakPolarHBondContact OD1-CB 3.31Å; N130-S183 PolarHBondContact OD1-OG 3.24Å; N130-D185 PolarHBondContact ND2-OD1 3.2Å
131I98.3Very high95.4Very high0 Ų043.5 Ų43.50%021%0.207CC..EExtended strand (participates in β ladder)trans-108.5117.9-176.2-46.9-59.5000109.4F101 C105 M109 F121 V122 L129 F159 S183 I184 V186F101-I131 HydrophobicContact CE1-CD1 4.1Å; F101-I131 HydrophobicContact CE1-CG1 4.16Å; C105-I131 HydrophobicContact CB-CG2 4.28Å; M109-I131 HydrophobicContact CE-CG2 3.87Å; M109-I131 HydrophobicContact SD-CG2 3.93Å; F121-I131 CarbonylContact O-C 3.55Å; F121-I131 WeakPolarHBondContact O-CA 3.33Å; V122-I131 HydrophobicContact CB-CD1 4.24Å; V122-I131 HydrophobicContact CG1-CD1 3.81Å; V122-I131 HydrophobicContact CG2-CD1 3.96Å; L129-I131 HydrophobicContact CB-CD1 4.09Å; I131-F159 HydrophobicContact CG2-CE1 3.72Å; I131-F159 HydrophobicContact CG2-CZ 4.15Å; I131-S183 CarbonylContact O-C 3.53Å; I131-S183 WeakPolarHBondContact O-CA 3.42Å; I131-S183 WeakPolarHBondContact O-CB 3.49Å; I131-I184 HydrophobicContact CB-CB 4.46Å; I131-I184 PolarHBondContact N-O 2.94Å; I131-I184 PolarHBondContact O-N 3.27Å; I131-V186 HydrophobicContact CG1-CG2 4.02Å
132S98.3Very high95.4Very high0 Ų042 Ų420%020%0.201CC..  trans-121.6111.3-175.9-1790000111.2F121 I134 G135 I182F121-S132 WeakPolarHBondContact CD1-O 3.32Å; F121-S132 PolarHBondContact O-N 2.82Å; S132-I134 PolarHBondContact O-N 2.88Å; S132-G135 PolarHBondContact O-N 3.02Å; S132-G135 WeakPolarHBondContact OG-CA 3.36Å; S132-G135 PolarHBondContact OG-N 3.27Å; S132-G135 VanDerWaalsContact OG-N 3.14Å; S132-I182 PolarHBondContact OG-O 3.4Å
133P98.6Very high95.4Very high1 Ų143 Ų431%0.00620%0.201CC..SBendtrans-59.2-41.3179.4-27.636.5000114.5I112 L114 G135 F146 I155 R156 F159 I182I112-P133 HydrophobicContact CD1-CB 4.48Å; L114-P133 HydrophobicContact CD1-CB 3.92Å; L114-P133 WeakPolarHBondContact CD1-O 3.34Å; P133-G135 VanDerWaalsContact C-N 3.33Å; P133-F146 HydrophobicContact CB-CE2 4.23Å; P133-F146 HydrophobicContact CB-CZ 4.06Å; P133-F146 HydrophobicContact CG-CZ 4.26Å; P133-I155 HydrophobicContact CB-CG2 4.04Å; P133-I155 HydrophobicContact CG-CG2 4.16Å; P133-R156 HydrophobicContact CG-CG 4.31Å; P133-F159 HydrophobicContact CG-CD1 4.13Å; P133-I182 WeakPolarHBondContact CD-O 3.38Å
134I98.5Very high95.5Very high2 Ų247.5 Ų47.51%0.0122%0.216CC..SBendtrans-73.4-28173.1-178.3164.1000112.1V116 R118 S132 C138 E142 F146 I182V116-I134 HydrophobicContact CB-CD1 4.43Å; V116-I134 HydrophobicContact CG1-CD1 4.25Å; V116-I134 HydrophobicContact CG1-CG1 4.42Å; R118-I134 PolarHBondContact N-O 2.95Å; S132-I134 PolarHBondContact O-N 2.88Å; I134-C138 HydrophobicContact CD1-CB 3.97Å; I134-C138 HydrophobicContact CG1-CB 4.08Å; I134-E142 HydrophobicContact CD1-CB 4.21Å; I134-F146 HydrophobicContact CB-CB 4.41Å; I134-F146 HydrophobicContact CB-CD2 3.59Å; I134-F146 HydrophobicContact CB-CE2 3.95Å; I134-F146 HydrophobicContact CB-CG 3.94Å; I134-F146 HydrophobicContact CD1-CB 3.68Å; I134-F146 HydrophobicContact CD1-CD2 4.2Å; I134-F146 HydrophobicContact CD1-CG 4.16Å; I134-F146 HydrophobicContact CG1-CD2 4.42Å; I134-F146 HydrophobicContact CG2-CB 4.26Å; I134-F146 HydrophobicContact CG2-CD1 4Å; I134-F146 HydrophobicContact CG2-CD2 3.89Å; I134-F146 HydrophobicContact CG2-CE1 4.32Å; I134-F146 HydrophobicContact CG2-CE2 4.21Å; I134-F146 HydrophobicContact CG2-CG 3.75Å; I134-F146 HydrophobicContact CG2-CZ 4.41Å; I134-I182 HydrophobicContact CG2-CB 3.96Å; I134-I182 HydrophobicContact CG2-CD1 4.19Å; I134-I182 HydrophobicContact CG2-CG2 4.3Å
135G98.1Very high95.7Very high0 Ų048.7 Ų48.70%022%0.223CC..  trans91139.6-17100000112.3G119 S132 P133 S137 C138G119-G135 CarbonylContact O-C 3.04Å; G119-G135 WeakPolarHBondContact O-CA 3.16Å; S132-G135 PolarHBondContact O-N 3.02Å; S132-G135 WeakPolarHBondContact OG-CA 3.36Å; S132-G135 PolarHBondContact OG-N 3.27Å; S132-G135 VanDerWaalsContact OG-N 3.14Å; P133-G135 VanDerWaalsContact C-N 3.33Å; G135-S137 PolarHBondContact O-N 2.87Å; G135-C138 PolarHBondContact O-N 3.01Å
136R96.7Very high96.3Very high77 Ų7744.7 Ų44.729%0.29121%0.208SC..THydrogen-bonded Turntrans-70.9-14.6-176.8-62.3176.761.871.96.5114.3G119 N120 E123 N130 C138 I182G119-R136 PolarHBondContact O-N 2.87Å; N120-R136 HydrophobicContact CB-CB 4.14Å; N120-R136 PolarHBondContact O-N 3.1Å; E123-R136 WeakPolarHBondContact OE1-CD 3.25Å; E123-R136 IonicContact OE1-CZ 3.74Å; E123-R136 IonicContact OE1-NE 3.89Å; E123-R136 PolarHBondContact OE1-NE 3.34Å; E123-R136 IonicContact OE2-CZ 2.69Å; E123-R136 IonicContact OE2-NE 2.9Å; E123-R136 PolarHBondContact OE2-NE 2.97Å; E123-R136 VanDerWaalsContact OE2-NE 3.08Å; E123-R136 IonicContact OE2-NH2 3.83Å; N130-R136 WeakPolarHBondContact OD1-CD 3.47Å; N130-R136 PolarHBondContact OD1-NH1 3.07Å; N130-R136 VanDerWaalsContact OD1-NH1 3.15Å; R136-C138 PolarHBondContact O-N 2.94Å; R136-I182 HydrophobicContact CG-CD1 4.46Å
137S97.9Very high96.9Very high79 Ų7943.4 Ų43.455%0.55221%0.206SC*.THydrogen-bonded Turntrans-77.112.1175.2-53.60000113.7G119 G135G119-S137 PolarHBondContact O-N 3.06Å; G119-S137 PolarHBondContact O-OG 3.37Å; G135-S137 PolarHBondContact O-N 2.87Å
138C97.9Very high97.4Very high17 Ų1746.8 Ų46.812%0.11523%0.229CC..  trans-72.2154.3175.770.90000112.6R118 I134 G135 R136 E142R118-C138 HydrophobicContact CB-CB 4.42Å; R118-C138 HydrophobicContact CG-CB 3.99Å; I134-C138 HydrophobicContact CD1-CB 3.97Å; I134-C138 HydrophobicContact CG1-CB 4.08Å; G135-C138 PolarHBondContact O-N 3.01Å; R136-C138 PolarHBondContact O-N 2.94Å; C138-E142 WeakPolarHBondContact CA-OE2 3.4Å; C138-E142 HydrophobicContact CB-CB 3.96Å; C138-E142 WeakPolarHBondContact CB-OE2 3.33Å
139T98.1Very high97.8Very high62 Ų6248.2 Ų48.238%0.3823%0.233SC..  trans-70.8172.717173.50000111.2E141 E142 R143T139-E141 VanDerWaalsContact C-N 3.34Å; T139-E141 PolarHBondContact OG1-N 3.01Å; T139-E141 PolarHBondContact OG1-OE2 3.31Å; T139-E142 PolarHBondContact N-OE2 3Å; T139-E142 VanDerWaalsContact OG1-CD 3.31Å; T139-E142 VanDerWaalsContact OG1-CG 3.28Å; T139-E142 WeakPolarHBondContact OG1-CG 3.45Å; T139-E142 PolarHBondContact OG1-N 3.12Å; T139-R143 VanDerWaalsContact O-CB 3.28Å; T139-R143 WeakPolarHBondContact O-CB 3.24Å; T139-R143 PolarHBondContact O-N 3.35Å
140Y95.4Very high97.9Very high140 Ų14048.7 Ų48.755%0.54924%0.235SC..Hα-helixtrans-65.3-40174.5178.3-105.5000111.8R143 R144Y140-R143 WeakPolarHBondContact O-CB 3.34Å; Y140-R143 PolarHBondContact O-N 3.5Å; Y140-R144 HydrophobicContact CE1-CG 4.3Å; Y140-R144 HydrophobicContact CE2-CG 4.5Å; Y140-R144 WeakPolarHBondContact O-CG 3.32Å; Y140-R144 PolarHBondContact O-N 3.44Å; Y140-R144 VanDerWaalsContact O-N 3.08Å
141E98.1Very high98Very high100 Ų10054.9 Ų54.947%0.46726%0.264SS..Hα-helixtrans-62.2-50.6177.6-64.467.8-14500110.4T139 R143 R144 E145T139-E141 VanDerWaalsContact C-N 3.34Å; T139-E141 PolarHBondContact OG1-N 3.01Å; T139-E141 PolarHBondContact OG1-OE2 3.31Å; E141-R143 VanDerWaalsContact C-N 3.29Å; E141-R143 PolarHBondContact O-N 2.9Å; E141-R144 PolarHBondContact O-N 3.12Å; E141-R144 VanDerWaalsContact O-N 3.07Å; E141-E145 WeakPolarHBondContact O-CG 3.43Å; E141-E145 PolarHBondContact O-N 3.47Å
142E98.5Very high98Very high27 Ų2762.8 Ų62.813%0.12630%0.298CS..Hα-helixtrans-61.5-37178-69.6162.9-17800112.3V116 R118 I134 C138 T139 E145 F146V116-E142 HydrophobicContact CG1-CG 4.49Å; R118-E142 WeakPolarHBondContact CD-OE2 3.3Å; R118-E142 WeakPolarHBondContact CG-OE2 3.4Å; R118-E142 IonicContact CZ-OE1 3.48Å; R118-E142 IonicContact CZ-OE2 2.62Å; R118-E142 IonicContact NE-OE1 2.71Å; R118-E142 PolarHBondContact NE-OE1 3.48Å; R118-E142 IonicContact NE-OE2 3.12Å; R118-E142 PolarHBondContact NE-OE2 3.17Å; R118-E142 VanDerWaalsContact NH2-CD 3.34Å; R118-E142 IonicContact NH2-OE1 3.86Å; R118-E142 PolarHBondContact NH2-OE1 3.06Å; R118-E142 IonicContact NH2-OE2 2.84Å; I134-E142 HydrophobicContact CD1-CB 4.21Å; C138-E142 WeakPolarHBondContact CA-OE2 3.4Å; C138-E142 HydrophobicContact CB-CB 3.96Å; C138-E142 WeakPolarHBondContact CB-OE2 3.33Å; T139-E142 PolarHBondContact N-OE2 3Å; T139-E142 VanDerWaalsContact OG1-CD 3.31Å; T139-E142 VanDerWaalsContact OG1-CG 3.28Å; T139-E142 WeakPolarHBondContact OG1-CG 3.45Å; T139-E142 PolarHBondContact OG1-N 3.12Å; E142-E145 PolarHBondContact O-N 3.42Å; E142-F146 WeakPolarHBondContact O-CB 3.38Å; E142-F146 PolarHBondContact O-N 2.87Å
143R98.3Very high98Very high57 Ų5766.3 Ų66.322%0.21532%0.315CS..Hα-helixtrans-60.3-45.6173.5167.2177.1-73.9-101.23.5111.2T139 Y140 E141 F146 V147 I182T139-R143 VanDerWaalsContact O-CB 3.28Å; T139-R143 WeakPolarHBondContact O-CB 3.24Å; T139-R143 PolarHBondContact O-N 3.35Å; Y140-R143 WeakPolarHBondContact O-CB 3.34Å; Y140-R143 PolarHBondContact O-N 3.5Å; E141-R143 VanDerWaalsContact C-N 3.29Å; E141-R143 PolarHBondContact O-N 2.9Å; R143-F146 PolarHBondContact O-N 3.37Å; R143-V147 VanDerWaalsContact O-CG2 3.31Å; R143-V147 WeakPolarHBondContact O-CG2 3.4Å; R143-V147 PolarHBondContact O-N 3.44Å; R143-I182 HydrophobicContact CB-CG2 4.38Å; R143-I182 HydrophobicContact CG-CG2 3.78Å
144R98Very high97.9Very high135 Ų13570.6 Ų70.651%0.50933%0.333SS..Hα-helixtrans-66.1-40.8177.7-67.6-165-55.7-1710.9111.7Y140 E141 F146 V147 S148Y140-R144 HydrophobicContact CE1-CG 4.3Å; Y140-R144 HydrophobicContact CE2-CG 4.5Å; Y140-R144 WeakPolarHBondContact O-CG 3.32Å; Y140-R144 PolarHBondContact O-N 3.44Å; Y140-R144 VanDerWaalsContact O-N 3.08Å; E141-R144 PolarHBondContact O-N 3.12Å; E141-R144 VanDerWaalsContact O-N 3.07Å; R144-F146 VanDerWaalsContact C-N 3.34Å; R144-F146 PolarHBondContact O-N 3.25Å; R144-V147 PolarHBondContact O-N 3.45Å; R144-S148 PolarHBondContact O-N 2.95Å; R144-S148 VanDerWaalsContact O-N 3.11Å; R144-S148 PolarHBondContact O-OG 2.95Å
145E98.2Very high97.9Very high118 Ų11871.5 Ų71.555%0.55134%0.338SS*.Hα-helixtrans-61.3-43175-70.8175.4-173.700111.6E141 E142 V147 S148 Y149E141-E145 WeakPolarHBondContact O-CG 3.43Å; E141-E145 PolarHBondContact O-N 3.47Å; E142-E145 PolarHBondContact O-N 3.42Å; E145-V147 PolarHBondContact O-N 2.71Å; E145-S148 PolarHBondContact O-N 2.91Å; E145-Y149 WeakPolarHBondContact O-CB 3.26Å; E145-Y149 PolarHBondContact O-N 3.37Å
146F98.5Very high98Very high8 Ų872.5 Ų72.54%0.03534%0.342CS..Hα-helixtrans-62.9-40.5174.9-177.5-95.4000112.3L114 P133 I134 E142 R143 R144 Y149 D150 I155 R156 I182L114-F146 HydrophobicContact CD1-CE2 4.17Å; L114-F146 HydrophobicContact CD2-CE2 4.23Å; P133-F146 HydrophobicContact CB-CE2 4.23Å; P133-F146 HydrophobicContact CB-CZ 4.06Å; P133-F146 HydrophobicContact CG-CZ 4.26Å; I134-F146 HydrophobicContact CB-CB 4.41Å; I134-F146 HydrophobicContact CB-CD2 3.59Å; I134-F146 HydrophobicContact CB-CE2 3.95Å; I134-F146 HydrophobicContact CB-CG 3.94Å; I134-F146 HydrophobicContact CD1-CB 3.68Å; I134-F146 HydrophobicContact CD1-CD2 4.2Å; I134-F146 HydrophobicContact CD1-CG 4.16Å; I134-F146 HydrophobicContact CG1-CD2 4.42Å; I134-F146 HydrophobicContact CG2-CB 4.26Å; I134-F146 HydrophobicContact CG2-CD1 4Å; I134-F146 HydrophobicContact CG2-CD2 3.89Å; I134-F146 HydrophobicContact CG2-CE1 4.32Å; I134-F146 HydrophobicContact CG2-CE2 4.21Å; I134-F146 HydrophobicContact CG2-CG 3.75Å; I134-F146 HydrophobicContact CG2-CZ 4.41Å; E142-F146 WeakPolarHBondContact O-CB 3.38Å; E142-F146 PolarHBondContact O-N 2.87Å; R143-F146 PolarHBondContact O-N 3.37Å; R144-F146 VanDerWaalsContact C-N 3.34Å; R144-F146 PolarHBondContact O-N 3.25Å; F146-Y149 PolarHBondContact O-N 3.08Å; F146-D150 HydrophobicContact CD1-CB 4.3Å; F146-D150 HydrophobicContact CE1-CB 3.96Å; F146-D150 HydrophobicContact CZ-CB 4.25Å; F146-D150 WeakPolarHBondContact O-CB 3.37Å; F146-D150 PolarHBondContact O-N 3.46Å; F146-I155 HydrophobicContact CZ-CG2 4.46Å; F146-R156 HydrophobicContact CE1-CG 4.31Å; F146-R156 HydrophobicContact CZ-CG 4.3Å; F146-I182 HydrophobicContact CD1-CB 4Å; F146-I182 HydrophobicContact CD1-CG2 3.82Å; F146-I182 HydrophobicContact CE1-CB 4.19Å; F146-I182 HydrophobicContact CE1-CG2 4.48Å
147V98Very high98Very high42 Ų4273.1 Ų73.126%0.25535%0.348SS..Hα-helixtrans-58-50.8176.3168.90000110.4R143 R144 E145 Y149 D150 E151 Q181R143-V147 VanDerWaalsContact O-CG2 3.31Å; R143-V147 WeakPolarHBondContact O-CG2 3.4Å; R143-V147 PolarHBondContact O-N 3.44Å; R144-V147 PolarHBondContact O-N 3.45Å; E145-V147 PolarHBondContact O-N 2.71Å; V147-Y149 VanDerWaalsContact C-N 3.29Å; V147-Y149 PolarHBondContact O-N 3.34Å; V147-D150 PolarHBondContact O-N 2.78Å; V147-E151 WeakPolarHBondContact O-CB 3.35Å; V147-E151 PolarHBondContact O-N 2.81Å; V147-Q181 HydrophobicContact CG2-CB 3.6Å; V147-Q181 HydrophobicContact CG2-CG 3.95Å; V147-Q181 WeakPolarHBondContact CG2-O 3.5Å
148S98.2Very high98Very high78 Ų7873.3 Ų73.355%0.54534%0.343SS..Hα-helixtrans-62.1-38.4177.8-58.30000112.2R144 E145 K152R144-S148 PolarHBondContact O-N 2.95Å; R144-S148 VanDerWaalsContact O-N 3.11Å; R144-S148 PolarHBondContact O-OG 2.95Å; E145-S148 PolarHBondContact O-N 2.91Å; S148-K152 PolarHBondContact O-N 3.16Å
149Y98.5Very high98.1Very high66 Ų6672.5 Ų72.526%0.25934%0.337SS..Hα-helixtrans-67.9-45.8177.5-169.6-90.6000111.9L114 P115 E145 F146 V147 E151 K152 H153 I155L114-Y149 HydrophobicContact CD2-CD1 4.42Å; L114-Y149 HydrophobicContact CD2-CE1 4.06Å; P115-Y149 HydrophobicContact CG-CD1 4.44Å; P115-Y149 HydrophobicContact CG-CD2 3.49Å; P115-Y149 VanDerWaalsContact CG-CD2 3.49Å; P115-Y149 HydrophobicContact CG-CE1 4.42Å; P115-Y149 HydrophobicContact CG-CE2 3.47Å; P115-Y149 VanDerWaalsContact CG-CE2 3.47Å; P115-Y149 HydrophobicContact CG-CG 4.01Å; E145-Y149 WeakPolarHBondContact O-CB 3.26Å; E145-Y149 PolarHBondContact O-N 3.37Å; F146-Y149 PolarHBondContact O-N 3.08Å; V147-Y149 VanDerWaalsContact C-N 3.29Å; V147-Y149 PolarHBondContact O-N 3.34Å; Y149-E151 PolarHBondContact O-N 3.4Å; Y149-K152 PolarHBondContact O-N 3.12Å; Y149-H153 HydrophobicContact CD1-CB 4.24Å; Y149-H153 AromaticContact CD1-CD2 3.88Å; Y149-H153 AromaticContact CD2-CD2 3.53Å; Y149-H153 AromaticContact CD2-NE2 3.94Å; Y149-H153 HydrophobicContact CE1-CB 3.95Å; Y149-H153 AromaticContact CE1-CD2 3.74Å; Y149-H153 AromaticContact CE1-CG 3.92Å; Y149-H153 AromaticContact CE2-CD2 3.37Å; Y149-H153 WeakPolarHBondContact CE2-CD2 3.42Å; Y149-H153 AromaticContact CE2-NE2 3.53Å; Y149-H153 AromaticContact CG-CD2 3.78Å; Y149-H153 AromaticContact CZ-CD2 3.47Å; Y149-H153 VanDerWaalsContact CZ-CD2 3.47Å; Y149-H153 AromaticContact CZ-CG 3.84Å; Y149-H153 AromaticContact CZ-NE2 3.9Å; Y149-H153 WeakPolarHBondContact O-CB 3.44Å; Y149-H153 PolarHBondContact O-CD2 2.83Å; Y149-H153 VanDerWaalsContact O-CD2 3.24Å; Y149-H153 PolarHBondContact O-N 3Å; Y149-I155 HydrophobicContact CD1-CG1 4.05Å; Y149-I155 HydrophobicContact CE1-CD1 4.01Å; Y149-I155 HydrophobicContact CE1-CG1 3.98Å
150D98.4Very high98Very high10 Ų1070 Ų705%0.05332%0.321CS..Hα-helixtrans-65.5-36.6178.6-17961.5000112F146 V147 K152 K154 I155 R156F146-D150 HydrophobicContact CD1-CB 4.3Å; F146-D150 HydrophobicContact CE1-CB 3.96Å; F146-D150 HydrophobicContact CZ-CB 4.25Å; F146-D150 WeakPolarHBondContact O-CB 3.37Å; F146-D150 PolarHBondContact O-N 3.46Å; V147-D150 PolarHBondContact O-N 2.78Å; D150-K152 VanDerWaalsContact C-N 3.29Å; D150-K152 PolarHBondContact O-N 2.86Å; D150-K154 WeakPolarHBondContact O-CA 3.16Å; D150-K154 PolarHBondContact O-N 3.28Å; D150-I155 WeakPolarHBondContact OD1-CA 3.45Å; D150-I155 WeakPolarHBondContact OD1-CB 3.2Å; D150-I155 PolarHBondContact OD1-N 3.37Å; D150-R156 PolarHBondContact OD1-N 2.93Å; D150-R156 IonicContact OD1-NE 3.08Å; D150-R156 IonicContact OD2-CZ 3.54Å; D150-R156 IonicContact OD2-NE 3.18Å; D150-R156 PolarHBondContact OD2-NE 3.4Å; D150-R156 IonicContact OD2-NH2 3.45Å; D150-R156 PolarHBondContact OD2-NH2 2.81Å
151E97.3Very high98.2Very high134 Ų13466.2 Ų66.263%0.62631%0.311SS*.Hα-helixtrans-60.2-41.9174.8-176.3174.3-163.900111.8V147 Y149 K154V147-E151 WeakPolarHBondContact O-CB 3.35Å; V147-E151 PolarHBondContact O-N 2.81Å; Y149-E151 PolarHBondContact O-N 3.4Å; E151-K154 WeakPolarHBondContact O-CD 3.49Å; E151-K154 VanDerWaalsContact O-CE 3.26Å; E151-K154 WeakPolarHBondContact O-CE 3.34Å; E151-K154 PolarHBondContact O-NZ 2.71Å
152K98Very high98.2Very high165 Ų16563.7 Ų63.772%0.71730%0.3SS*.Hα-helixtrans-77.3-41.7179.6-178.3177.9175.9-176.20113.2S148 Y149 D150S148-K152 PolarHBondContact O-N 3.16Å; Y149-K152 PolarHBondContact O-N 3.12Å; D150-K152 VanDerWaalsContact C-N 3.29Å; D150-K152 PolarHBondContact O-N 2.86Å
153H98.3Very high98.2Very high75 Ų7562.4 Ų62.435%0.34729%0.294SS..Hα-helixtrans-104.2-4.7-169.9-65.4-78.2000114.1Y149 I155Y149-H153 HydrophobicContact CD1-CB 4.24Å; Y149-H153 AromaticContact CD1-CD2 3.88Å; Y149-H153 AromaticContact CD2-CD2 3.53Å; Y149-H153 AromaticContact CD2-NE2 3.94Å; Y149-H153 HydrophobicContact CE1-CB 3.95Å; Y149-H153 AromaticContact CE1-CD2 3.74Å; Y149-H153 AromaticContact CE1-CG 3.92Å; Y149-H153 AromaticContact CE2-CD2 3.37Å; Y149-H153 WeakPolarHBondContact CE2-CD2 3.42Å; Y149-H153 AromaticContact CE2-NE2 3.53Å; Y149-H153 AromaticContact CG-CD2 3.78Å; Y149-H153 AromaticContact CZ-CD2 3.47Å; Y149-H153 VanDerWaalsContact CZ-CD2 3.47Å; Y149-H153 AromaticContact CZ-CG 3.84Å; Y149-H153 AromaticContact CZ-NE2 3.9Å; Y149-H153 WeakPolarHBondContact O-CB 3.44Å; Y149-H153 PolarHBondContact O-CD2 2.83Å; Y149-H153 VanDerWaalsContact O-CD2 3.24Å; Y149-H153 PolarHBondContact O-N 3Å; H153-I155 VanDerWaalsContact C-N 3.29Å; H153-I155 HydrophobicContact CB-CD1 3.97Å; H153-I155 HydrophobicContact CB-CG1 4.18Å; H153-I155 PolarHBondContact O-N 3.41Å
154K98Very high98.1Very high90 Ų9065.2 Ų65.239%0.39131%0.305SS..  trans53.540.8176.2-55.7-55.4-171.5-162.60113.4D150 E151 R156 E157 N158D150-K154 WeakPolarHBondContact O-CA 3.16Å; D150-K154 PolarHBondContact O-N 3.28Å; E151-K154 WeakPolarHBondContact O-CD 3.49Å; E151-K154 VanDerWaalsContact O-CE 3.26Å; E151-K154 WeakPolarHBondContact O-CE 3.34Å; E151-K154 PolarHBondContact O-NZ 2.71Å; K154-R156 PolarHBondContact O-N 3.25Å; K154-E157 HydrophobicContact CB-CB 4.24Å; K154-E157 PolarHBondContact O-N 3.48Å; K154-N158 VanDerWaalsContact O-CB 3.27Å; K154-N158 WeakPolarHBondContact O-CB 3.4Å; K154-N158 PolarHBondContact O-N 3.22Å; K154-N158 PolarHBondContact O-ND2 3.02Å; K154-N158 VanDerWaalsContact O-ND2 3.09Å
155I98.4Very high98.1Very high21 Ų2166.9 Ų66.911%0.10832%0.316CS..Hα-helixtrans-58.9-52.6-174.2-59-58.9000111.2I112 L114 P133 F146 Y149 D150 H153 F159I112-I155 HydrophobicContact CD1-CG2 4.27Å; I112-I155 HydrophobicContact CG2-CD1 4.39Å; I112-I155 HydrophobicContact CG2-CG2 4.35Å; L114-I155 HydrophobicContact CD2-CD1 4.13Å; L114-I155 HydrophobicContact CD2-CG1 3.98Å; L114-I155 HydrophobicContact CD2-CG2 4.09Å; P133-I155 HydrophobicContact CB-CG2 4.04Å; P133-I155 HydrophobicContact CG-CG2 4.16Å; F146-I155 HydrophobicContact CZ-CG2 4.46Å; Y149-I155 HydrophobicContact CD1-CG1 4.05Å; Y149-I155 HydrophobicContact CE1-CD1 4.01Å; Y149-I155 HydrophobicContact CE1-CG1 3.98Å; D150-I155 WeakPolarHBondContact OD1-CA 3.45Å; D150-I155 WeakPolarHBondContact OD1-CB 3.2Å; D150-I155 PolarHBondContact OD1-N 3.37Å; H153-I155 VanDerWaalsContact C-N 3.29Å; H153-I155 HydrophobicContact CB-CD1 3.97Å; H153-I155 HydrophobicContact CB-CG1 4.18Å; H153-I155 PolarHBondContact O-N 3.41Å; I155-F159 VanDerWaalsContact O-CB 3.3Å; I155-F159 WeakPolarHBondContact O-CB 3.48Å; I155-F159 PolarHBondContact O-N 3.42Å
156R98.3Very high98.1Very high22 Ų2268.4 Ų68.48%0.08332%0.317CS..Hα-helixtrans-69.5-38.3-178.4-68.9-176.8-65.5164.4-1.5112.2P133 F146 D150 K154 F159 L160 I178 G180 Q181 S183 I184P133-R156 HydrophobicContact CG-CG 4.31Å; F146-R156 HydrophobicContact CE1-CG 4.31Å; F146-R156 HydrophobicContact CZ-CG 4.3Å; D150-R156 PolarHBondContact OD1-N 2.93Å; D150-R156 IonicContact OD1-NE 3.08Å; D150-R156 IonicContact OD2-CZ 3.54Å; D150-R156 IonicContact OD2-NE 3.18Å; D150-R156 PolarHBondContact OD2-NE 3.4Å; D150-R156 IonicContact OD2-NH2 3.45Å; D150-R156 PolarHBondContact OD2-NH2 2.81Å; K154-R156 PolarHBondContact O-N 3.25Å; R156-F159 PolarHBondContact O-N 3.41Å; R156-L160 WeakPolarHBondContact O-CB 3.22Å; R156-L160 PolarHBondContact O-N 3.31Å; R156-I178 HydrophobicContact CB-CD1 4.21Å; R156-I178 HydrophobicContact CB-CG1 4.42Å; R156-G180 PolarHBondContact NH1-O 2.99Å; R156-Q181 PolarHBondContact NH1-O 2.86Å; R156-Q181 PolarHBondContact NH2-O 3.5Å; R156-S183 WeakPolarHBondContact CD-O 3.21Å; R156-I184 HydrophobicContact CB-CD1 4.45Å; R156-I184 HydrophobicContact CB-CG1 4.33Å
157E98.1Very high98.1Very high89 Ų8968.3 Ų68.342%0.41632%0.316SS..Hα-helixtrans-65-47.4178.3-171.9-174.6142.500111.2K154 F159 L160 N161 I178K154-E157 HydrophobicContact CB-CB 4.24Å; K154-E157 PolarHBondContact O-N 3.48Å; E157-F159 VanDerWaalsContact C-N 3.33Å; E157-F159 PolarHBondContact O-N 2.91Å; E157-L160 PolarHBondContact O-N 2.8Å; E157-N161 WeakPolarHBondContact O-CB 3.47Å; E157-N161 VanDerWaalsContact O-CG 3.24Å; E157-N161 PolarHBondContact O-N 3.45Å; E157-N161 PolarHBondContact O-ND2 2.89Å; E157-I178 HydrophobicContact CB-CD1 4.42Å
158N98.3Very high98Very high84 Ų8468.4 Ų68.445%0.44932%0.318SS..Hα-helixtrans-61-44.2176.2-71.9-30.2000111.4K154 N161 D162K154-N158 VanDerWaalsContact O-CB 3.27Å; K154-N158 WeakPolarHBondContact O-CB 3.4Å; K154-N158 PolarHBondContact O-N 3.22Å; K154-N158 PolarHBondContact O-ND2 3.02Å; K154-N158 VanDerWaalsContact O-ND2 3.09Å; N158-N161 PolarHBondContact O-N 3.01Å; N158-D162 WeakPolarHBondContact O-CB 3.45Å; N158-D162 PolarHBondContact O-N 2.83Å
159F98.4Very high97.9Very high0 Ų068.2 Ų68.20%031%0.313CS..Hα-helixtrans-64.4-44.5177.3-171.6-165.9000111.9C105 Y108 M109 I131 P133 I155 R156 E157 N161 D162 L163 I184C105-F159 HydrophobicContact CB-CZ 4.18Å; Y108-F159 HydrophobicContact CD1-CB 4.44Å; Y108-F159 HydrophobicContact CD1-CD1 4.18Å; Y108-F159 AromaticContact CD1-CD2 3.24Å; Y108-F159 HydrophobicContact CD1-CD2 3.24Å; Y108-F159 HydrophobicContact CD1-CE1 4.23Å; Y108-F159 AromaticContact CD1-CE2 3.32Å; Y108-F159 HydrophobicContact CD1-CE2 3.32Å; Y108-F159 AromaticContact CD1-CG 3.72Å; Y108-F159 HydrophobicContact CD1-CG 3.72Å; Y108-F159 AromaticContact CD1-CZ 3.84Å; Y108-F159 HydrophobicContact CD1-CZ 3.84Å; Y108-F159 HydrophobicContact CD2-CD2 4.03Å; Y108-F159 HydrophobicContact CD2-CE2 4.07Å; Y108-F159 HydrophobicContact CE1-CB 3.74Å; Y108-F159 HydrophobicContact CE1-CD1 4.26Å; Y108-F159 AromaticContact CE1-CD2 3.32Å; Y108-F159 HydrophobicContact CE1-CD2 3.32Å; Y108-F159 AromaticContact CE1-CE2 3.93Å; Y108-F159 HydrophobicContact CE1-CE2 3.93Å; Y108-F159 AromaticContact CE1-CG 3.52Å; Y108-F159 HydrophobicContact CE1-CG 3.52Å; Y108-F159 HydrophobicContact CE2-CD2 4.09Å; Y108-F159 AromaticContact CG-CD2 3.64Å; Y108-F159 HydrophobicContact CG-CD2 3.64Å; Y108-F159 AromaticContact CG-CE2 3.42Å; Y108-F159 HydrophobicContact CG-CE2 3.42Å; Y108-F159 VanDerWaalsContact CG-CE2 3.42Å; Y108-F159 HydrophobicContact CG-CZ 4.15Å; Y108-F159 AromaticContact CZ-CD2 3.76Å; M109-F159 HydrophobicContact CG-CE1 3.75Å; M109-F159 HydrophobicContact CG-CZ 4.09Å; M109-F159 HydrophobicContact SD-CE1 4.13Å; I131-F159 HydrophobicContact CG2-CE1 3.72Å; I131-F159 HydrophobicContact CG2-CZ 4.15Å; P133-F159 HydrophobicContact CG-CD1 4.13Å; I155-F159 VanDerWaalsContact O-CB 3.3Å; I155-F159 WeakPolarHBondContact O-CB 3.48Å; I155-F159 PolarHBondContact O-N 3.42Å; R156-F159 PolarHBondContact O-N 3.41Å; E157-F159 VanDerWaalsContact C-N 3.33Å; E157-F159 PolarHBondContact O-N 2.91Å; F159-N161 VanDerWaalsContact C-N 3.34Å; F159-N161 PolarHBondContact O-N 3.44Å; F159-D162 PolarHBondContact O-N 3.3Å; F159-L163 HydrophobicContact CD2-CD1 3.87Å; F159-L163 HydrophobicContact CD2-CD2 4.27Å; F159-L163 HydrophobicContact CD2-CG 3.71Å; F159-L163 HydrophobicContact CE1-CD1 4.5Å; F159-L163 HydrophobicContact CE2-CD1 3.73Å; F159-L163 HydrophobicContact CE2-CD2 3.65Å; F159-L163 HydrophobicContact CE2-CG 3.58Å; F159-L163 HydrophobicContact CG-CD1 4.31Å; F159-L163 HydrophobicContact CZ-CD1 4.06Å; F159-L163 HydrophobicContact CZ-CD2 4.32Å; F159-L163 HydrophobicContact CZ-CG 4.36Å; F159-L163 WeakPolarHBondContact O-CB 3.35Å; F159-L163 VanDerWaalsContact O-CG 3.29Å; F159-L163 WeakPolarHBondContact O-CG 3.13Å; F159-L163 PolarHBondContact O-N 3.41Å; F159-I184 HydrophobicContact CB-CD1 4.11Å; F159-I184 HydrophobicContact CD1-CD1 3.82Å; F159-I184 HydrophobicContact CG-CD1 4.09Å
160L97.7Very high97.7Very high9 Ų972.2 Ų72.25%0.04734%0.339CS..Hα-helixtrans-60.2-43.2176.6177.259.9000111.9R156 E157 D162 L163 R164 M176 I178 I184R156-L160 WeakPolarHBondContact O-CB 3.22Å; R156-L160 PolarHBondContact O-N 3.31Å; E157-L160 PolarHBondContact O-N 2.8Å; L160-D162 VanDerWaalsContact C-N 3.32Å; L160-D162 PolarHBondContact O-N 2.65Å; L160-L163 PolarHBondContact O-N 3.09Å; L160-R164 HydrophobicContact CD1-CG 4.3Å; L160-R164 WeakPolarHBondContact O-CB 3.2Å; L160-R164 WeakPolarHBondContact O-CG 3.45Å; L160-R164 PolarHBondContact O-N 2.92Å; L160-M176 HydrophobicContact CD1-CB 3.42Å; L160-M176 VanDerWaalsContact CD1-CB 3.42Å; L160-I178 HydrophobicContact CD2-CG1 3.88Å; L160-I184 HydrophobicContact CB-CD1 4.07Å; L160-I184 HydrophobicContact CD1-CG2 4.02Å
161N98Very high97.6Very high61 Ų6177.8 Ų77.833%0.32636%0.363SS..Hα-helixtrans-63.6-39.5177.5-73.7-25.7000111.9E157 N158 F159 K165E157-N161 WeakPolarHBondContact O-CB 3.47Å; E157-N161 VanDerWaalsContact O-CG 3.24Å; E157-N161 PolarHBondContact O-N 3.45Å; E157-N161 PolarHBondContact O-ND2 2.89Å; N158-N161 PolarHBondContact O-N 3.01Å; F159-N161 VanDerWaalsContact C-N 3.34Å; F159-N161 PolarHBondContact O-N 3.44Å; N161-K165 WeakPolarHBondContact O-CG 3.29Å; N161-K165 PolarHBondContact O-N 2.83Å
162D98.3Very high97.6Very high46 Ų4672.2 Ų72.225%0.24634%0.336CS..Hα-helixtrans-67.8-44.6176.1-171.5-98.3000112.1Y104 Y108 N158 F159 L160 R164 K165 R166Y104-D162 WeakPolarHBondContact CE1-OD1 3.49Å; Y104-D162 PolarHBondContact OH-OD1 2.84Å; Y108-D162 HydrophobicContact CE2-CB 3.92Å; Y108-D162 WeakPolarHBondContact CE2-OD1 3.21Å; N158-D162 WeakPolarHBondContact O-CB 3.45Å; N158-D162 PolarHBondContact O-N 2.83Å; F159-D162 PolarHBondContact O-N 3.3Å; L160-D162 VanDerWaalsContact C-N 3.32Å; L160-D162 PolarHBondContact O-N 2.65Å; D162-R164 PolarHBondContact O-N 3.43Å; D162-K165 PolarHBondContact O-N 3.34Å; D162-R166 PolarHBondContact O-N 3.47Å
163L98.4Very high97.5Very high0 Ų065.6 Ų65.60%032%0.315CS..Hα-helixtrans-57.7-45.7174-71.3172.6000111.9F101 Y104 F159 L160 K165 R166 F167 M176 I184F101-L163 HydrophobicContact CE2-CD2 3.86Å; F101-L163 HydrophobicContact CZ-CD1 4.26Å; F101-L163 HydrophobicContact CZ-CD2 4.15Å; Y104-L163 HydrophobicContact CD1-CD2 3.77Å; Y104-L163 HydrophobicContact CE1-CD2 4.09Å; F159-L163 HydrophobicContact CD2-CD1 3.87Å; F159-L163 HydrophobicContact CD2-CD2 4.27Å; F159-L163 HydrophobicContact CD2-CG 3.71Å; F159-L163 HydrophobicContact CE1-CD1 4.5Å; F159-L163 HydrophobicContact CE2-CD1 3.73Å; F159-L163 HydrophobicContact CE2-CD2 3.65Å; F159-L163 HydrophobicContact CE2-CG 3.58Å; F159-L163 HydrophobicContact CG-CD1 4.31Å; F159-L163 HydrophobicContact CZ-CD1 4.06Å; F159-L163 HydrophobicContact CZ-CD2 4.32Å; F159-L163 HydrophobicContact CZ-CG 4.36Å; F159-L163 WeakPolarHBondContact O-CB 3.35Å; F159-L163 VanDerWaalsContact O-CG 3.29Å; F159-L163 WeakPolarHBondContact O-CG 3.13Å; F159-L163 PolarHBondContact O-N 3.41Å; L160-L163 PolarHBondContact O-N 3.09Å; L163-K165 VanDerWaalsContact C-N 3.3Å; L163-K165 PolarHBondContact O-N 3.23Å; L163-R166 PolarHBondContact O-N 3.38Å; L163-R166 VanDerWaalsContact O-N 3.16Å; L163-F167 HydrophobicContact CD2-CD2 4.07Å; L163-F167 HydrophobicContact CD2-CE2 4.02Å; L163-F167 WeakPolarHBondContact O-CB 3.48Å; L163-F167 WeakPolarHBondContact O-CD2 3.34Å; L163-F167 PolarHBondContact O-N 3Å; L163-M176 HydrophobicContact CB-SD 3.69Å; L163-M176 HydrophobicContact CD1-SD 4.44Å; L163-I184 HydrophobicContact CD1-CD1 4.32Å
164R97.3Very high97.4Very high116 Ų11662.1 Ų62.144%0.43830%0.299SS..Hα-helixtrans-61.7-36.1178.4-77173.3173.9174.8-4.1113L160 D162 M176L160-R164 HydrophobicContact CD1-CG 4.3Å; L160-R164 WeakPolarHBondContact O-CB 3.2Å; L160-R164 WeakPolarHBondContact O-CG 3.45Å; L160-R164 PolarHBondContact O-N 2.92Å; D162-R164 PolarHBondContact O-N 3.43Å; R164-M176 PolarHBondContact NH2-O 3.48Å
165K97.8Very high97.1Very high170 Ų17061.5 Ų61.574%0.73930%0.297SS*.Hα-helixtrans-69-40.8174.8-71.3170.3-175.7175.30111.6N161 D162 L163N161-K165 WeakPolarHBondContact O-CG 3.29Å; N161-K165 PolarHBondContact O-N 2.83Å; D162-K165 PolarHBondContact O-N 3.34Å; L163-K165 VanDerWaalsContact C-N 3.3Å; L163-K165 PolarHBondContact O-N 3.23Å
166R97.8Very high96.9Very high151 Ų15160.7 Ų60.757%0.5729%0.293SS*.Hα-helixtrans-77.9-34.9-175.3-171.161.5172.4-124.63.9113.1Y104 D162 L163 P168Y104-R166 HydrophobicContact CD2-CG 4.19Å; Y104-R166 HydrophobicContact CE1-CB 4.44Å; Y104-R166 HydrophobicContact CE1-CG 4.35Å; Y104-R166 HydrophobicContact CE2-CG 4.04Å; Y104-R166 HydrophobicContact CG-CG 4.43Å; D162-R166 PolarHBondContact O-N 3.47Å; L163-R166 PolarHBondContact O-N 3.38Å; L163-R166 VanDerWaalsContact O-N 3.16Å; R166-P168 VanDerWaalsContact C-CD 3.43Å; R166-P168 VanDerWaalsContact O-CD 3.32Å; R166-P168 WeakPolarHBondContact O-CD 3.32Å
167F98.1Very high96.6Very high6 Ų661.5 Ų61.53%0.02630%0.302CS..SBendtrans-122.868.2-174.8-58.8-76.5000110.1F101 Y104 L163 Y172 M176F101-F167 HydrophobicContact CB-CE1 4.22Å; F101-F167 HydrophobicContact CB-CZ 4.38Å; F101-F167 HydrophobicContact CD2-CB 4.4Å; F101-F167 HydrophobicContact CD2-CD1 4.07Å; F101-F167 AromaticContact CD2-CD2 3.62Å; F101-F167 HydrophobicContact CD2-CD2 3.62Å; F101-F167 HydrophobicContact CD2-CE1 4.26Å; F101-F167 AromaticContact CD2-CE2 3.82Å; F101-F167 HydrophobicContact CD2-CE2 3.82Å; F101-F167 AromaticContact CD2-CG 3.76Å; F101-F167 HydrophobicContact CD2-CG 3.76Å; F101-F167 HydrophobicContact CD2-CZ 4.15Å; F101-F167 AromaticContact CE2-CD2 3.92Å; F101-F167 HydrophobicContact CE2-CD2 3.92Å; F101-F167 HydrophobicContact CE2-CE2 4.3Å; F101-F167 HydrophobicContact CE2-CG 4.31Å; Y104-F167 AromaticContact CD1-CE2 3.59Å; Y104-F167 HydrophobicContact CD1-CE2 3.59Å; Y104-F167 HydrophobicContact CD1-CZ 4.23Å; Y104-F167 HydrophobicContact CE1-CE2 4.35Å; Y104-F167 AromaticContact CG-CE2 3.71Å; Y104-F167 HydrophobicContact CG-CE2 3.71Å; Y104-F167 AromaticContact CG-CZ 3.87Å; Y104-F167 HydrophobicContact CG-CZ 3.87Å; L163-F167 HydrophobicContact CD2-CD2 4.07Å; L163-F167 HydrophobicContact CD2-CE2 4.02Å; L163-F167 WeakPolarHBondContact O-CB 3.48Å; L163-F167 WeakPolarHBondContact O-CD2 3.34Å; L163-F167 PolarHBondContact O-N 3Å; F167-Y172 HydrophobicContact CB-CD2 3.95Å; F167-Y172 HydrophobicContact CB-CE2 4.43Å; F167-Y172 HydrophobicContact CB-CG 4.08Å; F167-Y172 AromaticContact CD1-CD1 3.75Å; F167-Y172 HydrophobicContact CD1-CD1 3.75Å; F167-Y172 AromaticContact CD1-CD2 3.9Å; F167-Y172 HydrophobicContact CD1-CD2 3.9Å; F167-Y172 AromaticContact CD1-CE1 3.58Å; F167-Y172 HydrophobicContact CD1-CE1 3.58Å; F167-Y172 AromaticContact CD1-CE2 3.7Å; F167-Y172 HydrophobicContact CD1-CE2 3.7Å; F167-Y172 AromaticContact CD1-CG 3.92Å; F167-Y172 HydrophobicContact CD1-CG 3.92Å; F167-Y172 AromaticContact CD1-CZ 3.56Å; F167-Y172 HydrophobicContact CE1-CD1 4.49Å; F167-Y172 AromaticContact CE1-CE1 3.97Å; F167-Y172 HydrophobicContact CE1-CE1 3.97Å; F167-Y172 HydrophobicContact CE1-CE2 4.48Å; F167-Y172 AromaticContact CE1-CZ 3.97Å; F167-Y172 HydrophobicContact CG-CD2 4.44Å; F167-M176 HydrophobicContact CB-CE 3.68Å
168P97Very high96.4Very high44 Ų4460.8 Ų60.829%0.28630%0.3SS..  trans-65.6144.6-175.531.7-37.8000110.4R166 D170 K171 Y172R166-P168 VanDerWaalsContact C-CD 3.43Å; R166-P168 VanDerWaalsContact O-CD 3.32Å; R166-P168 WeakPolarHBondContact O-CD 3.32Å; P168-D170 VanDerWaalsContact C-N 3.32Å; P168-D170 WeakPolarHBondContact CB-OD1 3.49Å; P168-D170 PolarHBondContact O-N 3.14Å; P168-K171 HydrophobicContact CG-CB 4.02Å; P168-K171 PolarHBondContact O-N 3.43Å; P168-Y172 PolarHBondContact O-N 3.46Å
169V95.3Very high95.7Very high74 Ų7457 Ų5745%0.44828%0.281SS..Hα-helixtrans-59-41.6-167.8173.40000112.4K171 G173 V189V169-K171 PolarHBondContact O-N 2.94Å; V169-G173 VanDerWaalsContact O-CA 3.23Å; V169-G173 WeakPolarHBondContact O-CA 3.47Å; V169-G173 PolarHBondContact O-N 3.29Å; V169-V189 HydrophobicContact CG1-CG2 3.37Å
170D94.8Very high95.1Very high149 Ų14960.3 Ų60.380%0.79732%0.315SS*.Hα-helixtrans-61.8-29.1178.162.3-49.7000113.1P168P168-D170 VanDerWaalsContact C-N 3.32Å; P168-D170 WeakPolarHBondContact CB-OD1 3.49Å; P168-D170 PolarHBondContact O-N 3.14Å
171K96.7Very high94.7Very high127 Ų12764.2 Ų64.255%0.55233%0.333SS*.Hα-helixtrans-93.3-42.3-179.2-172.4175.8177.3-175.60112.9K97 P168 V169K97-K171 VanDerWaalsContact CE-O 3.24Å; K97-K171 WeakPolarHBondContact CE-O 3.39Å; K97-K171 PolarHBondContact NZ-O 3.25Å; P168-K171 HydrophobicContact CG-CB 4.02Å; P168-K171 PolarHBondContact O-N 3.43Å; V169-K171 PolarHBondContact O-N 2.94Å
172Y97.3Very high94.6Very high17 Ų1761.4 Ų61.47%0.06732%0.318CS..Hα-helixtrans-100.1-22-172.8-77.2-91.4000113.6K97 E100 F167 P168 L174K97-Y172 HydrophobicContact CB-CD1 3.98Å; K97-Y172 HydrophobicContact CB-CE1 4.19Å; K97-Y172 HydrophobicContact CD-CD1 4.14Å; K97-Y172 HydrophobicContact CG-CD1 3.89Å; K97-Y172 HydrophobicContact CG-CE1 3.98Å; E100-Y172 PolarHBondContact OE2-OH 2.86Å; F167-Y172 HydrophobicContact CB-CD2 3.95Å; F167-Y172 HydrophobicContact CB-CE2 4.43Å; F167-Y172 HydrophobicContact CB-CG 4.08Å; F167-Y172 AromaticContact CD1-CD1 3.75Å; F167-Y172 HydrophobicContact CD1-CD1 3.75Å; F167-Y172 AromaticContact CD1-CD2 3.9Å; F167-Y172 HydrophobicContact CD1-CD2 3.9Å; F167-Y172 AromaticContact CD1-CE1 3.58Å; F167-Y172 HydrophobicContact CD1-CE1 3.58Å; F167-Y172 AromaticContact CD1-CE2 3.7Å; F167-Y172 HydrophobicContact CD1-CE2 3.7Å; F167-Y172 AromaticContact CD1-CG 3.92Å; F167-Y172 HydrophobicContact CD1-CG 3.92Å; F167-Y172 AromaticContact CD1-CZ 3.56Å; F167-Y172 HydrophobicContact CE1-CD1 4.49Å; F167-Y172 AromaticContact CE1-CE1 3.97Å; F167-Y172 HydrophobicContact CE1-CE1 3.97Å; F167-Y172 HydrophobicContact CE1-CE2 4.48Å; F167-Y172 AromaticContact CE1-CZ 3.97Å; F167-Y172 HydrophobicContact CG-CD2 4.44Å; P168-Y172 PolarHBondContact O-N 3.46Å; Y172-L174 PolarHBondContact O-N 3.43Å
173G95.6Very high94.5Very high27 Ų2759.4 Ų59.428%0.27831%0.308SS..  trans70.217.4-177.500000113.5V169 P188 V189V169-G173 VanDerWaalsContact O-CA 3.23Å; V169-G173 WeakPolarHBondContact O-CA 3.47Å; V169-G173 PolarHBondContact O-N 3.29Å; G173-P188 CarbonylContact O-C 3.45Å; G173-P188 VanDerWaalsContact O-CA 3.25Å; G173-P188 WeakPolarHBondContact O-CA 3.18Å; G173-V189 PolarHBondContact O-N 2.82Å
174L95.6Very high94.4Very high1 Ų159.4 Ų59.41%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-103121.3-177.6-68.4173.4000110.9I89 I93 F101 Y172 M176 V186 F187I89-L174 HydrophobicContact CD1-CD2 4.33Å; I93-L174 HydrophobicContact CD1-CD2 3.67Å; I93-L174 HydrophobicContact CD1-CG 4.18Å; I93-L174 HydrophobicContact CG1-CD2 3.75Å; I93-L174 HydrophobicContact CG2-CD2 4.31Å; I93-L174 HydrophobicContact CG2-CG 4.49Å; F101-L174 HydrophobicContact CD2-CD1 3.97Å; F101-L174 HydrophobicContact CE2-CD1 4.45Å; F101-L174 HydrophobicContact CG-CD1 4.19Å; Y172-L174 PolarHBondContact O-N 3.43Å; L174-M176 HydrophobicContact CB-CE 3.8Å; L174-M176 HydrophobicContact CD1-CE 4.36Å; L174-V186 HydrophobicContact CB-CG1 4.26Å; L174-V186 HydrophobicContact CD1-CG1 4.07Å; L174-V186 HydrophobicContact CD2-CG1 3.98Å; L174-V186 HydrophobicContact CG-CG1 4.34Å; L174-F187 CarbonylContact C-O 3.5Å; L174-F187 WeakPolarHBondContact CA-O 3.37Å
175H92.9Very high94.2Very high78 Ų7855.5 Ų55.536%0.36130%0.295SS..EExtended strand (participates in β ladder)trans-82.9144.1161.5-166.988.3000110.1V186 F187 V189H175-V186 WeakPolarHBondContact O-CA 3.11Å; H175-F187 WeakPolarHBondContact CA-O 3.28Å; H175-F187 HydrophobicContact CB-CD2 4.05Å; H175-F187 HydrophobicContact CB-CE2 3.8Å; H175-F187 HydrophobicContact CB-CZ 4.31Å; H175-F187 AromaticContact CD2-CE2 3.67Å; H175-F187 AromaticContact CD2-CZ 3.4Å; H175-F187 WeakPolarHBondContact CD2-CZ 3.39Å; H175-F187 AromaticContact CG-CE2 3.94Å; H175-F187 PolarHBondContact N-O 2.87Å; H175-F187 PolarHBondContact O-N 2.76Å; H175-F187 VanDerWaalsContact O-O 3.13Å; H175-V189 HydrophobicContact CB-CG2 4.31Å
176M94.2Very high94.1Very high4 Ų447.4 Ų47.42%0.0226%0.26CS..EExtended strand (participates in β ladder)trans-140.6131.3-177.1-51.1177.6-157.400110.4F101 L160 L163 R164 F167 L174 D185 V186F101-M176 HydrophobicContact CD2-CE 4.29Å; F101-M176 HydrophobicContact CE2-CE 3.65Å; F101-M176 HydrophobicContact CE2-SD 3.91Å; F101-M176 HydrophobicContact CZ-SD 4.35Å; L160-M176 HydrophobicContact CD1-CB 3.42Å; L160-M176 VanDerWaalsContact CD1-CB 3.42Å; L163-M176 HydrophobicContact CB-SD 3.69Å; L163-M176 HydrophobicContact CD1-SD 4.44Å; R164-M176 PolarHBondContact NH2-O 3.48Å; F167-M176 HydrophobicContact CB-CE 3.68Å; L174-M176 HydrophobicContact CB-CE 3.8Å; L174-M176 HydrophobicContact CD1-CE 4.36Å; M176-D185 VanDerWaalsContact CA-O 3.3Å; M176-D185 WeakPolarHBondContact CA-O 3.38Å; M176-V186 HydrophobicContact CG-CG1 4.13Å; M176-V186 HydrophobicContact CG-CG2 4.14Å
177C91.3Very high93.9Very high39 Ų3941.7 Ų41.726%0.26424%0.239SC..EExtended strand (participates in β ladder)trans-143.9160.3178.963.90000111.6G179 I184 D185C177-G179 PolarHBondContact O-N 2.8Å; C177-I184 CarbonylContact O-C 3.45Å; C177-I184 VanDerWaalsContact O-CA 3.28Å; C177-I184 WeakPolarHBondContact O-CA 3.36Å; C177-I184 WeakPolarHBondContact O-CG2 3.31Å; C177-D185 PolarHBondContact N-O 3.31Å; C177-D185 PolarHBondContact O-N 3.37Å
178I92.6Very high93.7Very high74 Ų7441.5 Ų41.538%0.37924%0.239SC..EExtended strand (participates in β ladder)trans-69.8121.6173.4-66.9-175.2000108.5R156 E157 L160R156-I178 HydrophobicContact CB-CD1 4.21Å; R156-I178 HydrophobicContact CB-CG1 4.42Å; E157-I178 HydrophobicContact CB-CD1 4.42Å; L160-I178 HydrophobicContact CD2-CG1 3.88Å
179G83.8Confident93.4Very high4 Ų443.2 Ų43.24%0.04125%0.248CC..EExtended strand (participates in β ladder)trans-102.4117.5-179.200000111.8C177 Q181 S183 D185C177-G179 PolarHBondContact O-N 2.8Å; G179-Q181 PolarHBondContact O-N 3.25Å; G179-S183 CarbonylContact C-O 3.49Å; G179-S183 PolarHBondContact N-O 3.36Å; G179-S183 CarbonylContact O-C 3.57Å; G179-S183 PolarHBondContact O-N 3.41Å; G179-S183 PolarHBondContact O-OG 2.81Å; G179-D185 VanDerWaalsContact CA-OD2 3.24Å; G179-D185 WeakPolarHBondContact CA-OD2 3.27Å
180G85.6Confident92.9Very high70 Ų7041 Ų4172%0.72224%0.24SC*.THydrogen-bonded Turntrans51.6-137.2176.200000113.8R156R156-G180 PolarHBondContact NH1-O 2.99Å
181Q89.5Confident92.7Very high91 Ų9134.4 Ų34.443%0.42520%0.204SC..THydrogen-bonded Turntrans-90.5-25.7-172.8-76.8177.3-39.800115.2V147 R156 G179V147-Q181 HydrophobicContact CG2-CB 3.6Å; V147-Q181 HydrophobicContact CG2-CG 3.95Å; V147-Q181 WeakPolarHBondContact CG2-O 3.5Å; R156-Q181 PolarHBondContact NH1-O 2.86Å; R156-Q181 PolarHBondContact NH2-O 3.5Å; G179-Q181 PolarHBondContact O-N 3.25Å
182I95.8Very high92.4Very high1 Ų129.5 Ų29.51%0.00518%0.184CC..THydrogen-bonded Turntrans-134-3.2-16668.5167.9000114.9S132 P133 I134 R136 R143 F146S132-I182 PolarHBondContact OG-O 3.4Å; P133-I182 WeakPolarHBondContact CD-O 3.38Å; I134-I182 HydrophobicContact CG2-CB 3.96Å; I134-I182 HydrophobicContact CG2-CD1 4.19Å; I134-I182 HydrophobicContact CG2-CG2 4.3Å; R136-I182 HydrophobicContact CG-CD1 4.46Å; R143-I182 HydrophobicContact CB-CG2 4.38Å; R143-I182 HydrophobicContact CG-CG2 3.78Å; F146-I182 HydrophobicContact CD1-CB 4Å; F146-I182 HydrophobicContact CD1-CG2 3.82Å; F146-I182 HydrophobicContact CE1-CB 4.19Å; F146-I182 HydrophobicContact CE1-CG2 4.48Å
183S96.6Very high92.3Very high5 Ų528.8 Ų28.84%0.03518%0.181CC..EExtended strand (participates in β ladder)trans-136.4175.3-170.447.60000114.5N130 I131 R156 G179N130-S183 VanDerWaalsContact CG-OG 3.3Å; N130-S183 WeakPolarHBondContact ND2-CB 3.24Å; N130-S183 PolarHBondContact ND2-OG 3.44Å; N130-S183 WeakPolarHBondContact OD1-CB 3.31Å; N130-S183 PolarHBondContact OD1-OG 3.24Å; I131-S183 CarbonylContact O-C 3.53Å; I131-S183 WeakPolarHBondContact O-CA 3.42Å; I131-S183 WeakPolarHBondContact O-CB 3.49Å; R156-S183 WeakPolarHBondContact CD-O 3.21Å; G179-S183 CarbonylContact C-O 3.49Å; G179-S183 PolarHBondContact N-O 3.36Å; G179-S183 CarbonylContact O-C 3.57Å; G179-S183 PolarHBondContact O-N 3.41Å; G179-S183 PolarHBondContact O-OG 2.81Å
184I97.3Very high92.3Very high0 Ų031.9 Ų31.90%019%0.185CC..EExtended strand (participates in β ladder)trans-118.6128.8172.2-64.5166.3000106.3I131 R156 F159 L160 L163 C177 V186I131-I184 HydrophobicContact CB-CB 4.46Å; I131-I184 PolarHBondContact N-O 2.94Å; I131-I184 PolarHBondContact O-N 3.27Å; R156-I184 HydrophobicContact CB-CD1 4.45Å; R156-I184 HydrophobicContact CB-CG1 4.33Å; F159-I184 HydrophobicContact CB-CD1 4.11Å; F159-I184 HydrophobicContact CD1-CD1 3.82Å; F159-I184 HydrophobicContact CG-CD1 4.09Å; L160-I184 HydrophobicContact CB-CD1 4.07Å; L160-I184 HydrophobicContact CD1-CG2 4.02Å; L163-I184 HydrophobicContact CD1-CD1 4.32Å; C177-I184 CarbonylContact O-C 3.45Å; C177-I184 VanDerWaalsContact O-CA 3.28Å; C177-I184 WeakPolarHBondContact O-CA 3.36Å; C177-I184 WeakPolarHBondContact O-CG2 3.31Å; I184-V186 HydrophobicContact CG2-CG2 4.11Å
185D93.4Very high92.3Very high33 Ų3333.1 Ų33.118%0.17619%0.19CC..EExtended strand (participates in β ladder)trans-91.7135.1174.4-76.6-36.7000109.6M128 N130 M176 C177 G179 F187M128-D185 HydrophobicContact CE-CB 3.34Å; M128-D185 WeakPolarHBondContact CE-OD1 3.42Å; N130-D185 PolarHBondContact ND2-OD1 3.2Å; M176-D185 VanDerWaalsContact CA-O 3.3Å; M176-D185 WeakPolarHBondContact CA-O 3.38Å; C177-D185 PolarHBondContact N-O 3.31Å; C177-D185 PolarHBondContact O-N 3.37Å; G179-D185 VanDerWaalsContact CA-OD2 3.24Å; G179-D185 WeakPolarHBondContact CA-OD2 3.27Å; D185-F187 HydrophobicContact CB-CD1 4.29Å; D185-F187 HydrophobicContact CB-CE1 4.14Å
186V95.4Very high92.4Very high0 Ų029.4 Ų29.40%017%0.173CC..EExtended strand (participates in β ladder)trans-133.4117.7-175.5-179.40000108.8F101 M128 L129 I131 L174 H175 M176 I184F101-V186 HydrophobicContact CE1-CB 4.32Å; F101-V186 HydrophobicContact CE1-CG1 3.93Å; F101-V186 HydrophobicContact CE1-CG2 3.96Å; F101-V186 HydrophobicContact CE2-CG1 4.28Å; F101-V186 HydrophobicContact CZ-CB 4.23Å; F101-V186 HydrophobicContact CZ-CG1 3.77Å; F101-V186 HydrophobicContact CZ-CG2 3.6Å; M128-V186 CarbonylContact C-O 3.57Å; M128-V186 VanDerWaalsContact CA-O 3.32Å; M128-V186 WeakPolarHBondContact CA-O 3.43Å; M128-V186 WeakPolarHBondContact CB-O 3.26Å; L129-V186 HydrophobicContact CB-CB 4.2Å; L129-V186 PolarHBondContact N-O 3.24Å; L129-V186 PolarHBondContact O-N 2.78Å; I131-V186 HydrophobicContact CG1-CG2 4.02Å; L174-V186 HydrophobicContact CB-CG1 4.26Å; L174-V186 HydrophobicContact CD1-CG1 4.07Å; L174-V186 HydrophobicContact CD2-CG1 3.98Å; L174-V186 HydrophobicContact CG-CG1 4.34Å; H175-V186 WeakPolarHBondContact O-CA 3.11Å; M176-V186 HydrophobicContact CG-CG1 4.13Å; M176-V186 HydrophobicContact CG-CG2 4.14Å; I184-V186 HydrophobicContact CG2-CG2 4.11Å
187F92.7Very high92.6Very high31 Ų3129.2 Ų29.214%0.13617%0.172CC..EExtended strand (participates in β ladder)trans-148.6157.5-174.147.5-88.1000110.5M128 L174 H175 D185 W191M128-F187 HydrophobicContact CB-CB 3.97Å; M128-F187 HydrophobicContact CE-CD1 4.05Å; L174-F187 CarbonylContact C-O 3.5Å; L174-F187 WeakPolarHBondContact CA-O 3.37Å; H175-F187 WeakPolarHBondContact CA-O 3.28Å; H175-F187 HydrophobicContact CB-CD2 4.05Å; H175-F187 HydrophobicContact CB-CE2 3.8Å; H175-F187 HydrophobicContact CB-CZ 4.31Å; H175-F187 AromaticContact CD2-CE2 3.67Å; H175-F187 AromaticContact CD2-CZ 3.4Å; H175-F187 WeakPolarHBondContact CD2-CZ 3.39Å; H175-F187 AromaticContact CG-CE2 3.94Å; H175-F187 PolarHBondContact N-O 2.87Å; H175-F187 PolarHBondContact O-N 2.76Å; H175-F187 VanDerWaalsContact O-O 3.13Å; D185-F187 HydrophobicContact CB-CD1 4.29Å; D185-F187 HydrophobicContact CB-CE1 4.14Å; F187-W191 HydrophobicContact CD2-CB 4.19Å
188P93.8Very high92.8Very high3 Ų330.8 Ų30.82%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-53.3143.9173-24.733.4000112.7I89 V92 I93 G173 G190 W191I89-P188 HydrophobicContact CG1-CG 4.07Å; V92-P188 HydrophobicContact CB-CG 4.26Å; V92-P188 HydrophobicContact CG1-CB 3.99Å; V92-P188 HydrophobicContact CG1-CG 4.11Å; I93-P188 HydrophobicContact CD1-CB 4.09Å; I93-P188 HydrophobicContact CD1-CG 3.95Å; I93-P188 HydrophobicContact CG1-CG 3.9Å; G173-P188 CarbonylContact O-C 3.45Å; G173-P188 VanDerWaalsContact O-CA 3.25Å; G173-P188 WeakPolarHBondContact O-CA 3.18Å; P188-G190 PolarHBondContact O-N 3.09Å; P188-W191 HydrophobicContact CB-CD2 3.67Å; P188-W191 HydrophobicContact CB-CE3 4.19Å; P188-W191 HydrophobicContact CB-CG 3.83Å; P188-W191 HydrophobicContact CB-CZ2 4.49Å; P188-W191 HydrophobicContact CG-CD2 3.5Å; P188-W191 VanDerWaalsContact CG-CD2 3.5Å; P188-W191 HydrophobicContact CG-CE3 3.51Å; P188-W191 HydrophobicContact CG-CG 4.17Å; P188-W191 HydrophobicContact CG-CH2 3.99Å; P188-W191 HydrophobicContact CG-CZ2 4.01Å; P188-W191 HydrophobicContact CG-CZ3 3.69Å; P188-W191 WeakPolarHBondContact O-CB 3.48Å; P188-W191 PolarHBondContact O-N 2.69Å
189V90.3Very high92.9Very high79 Ų7928.2 Ų28.248%0.47916%0.161SC..THydrogen-bonded Turntrans-56.3135.3174.51760000110.3V169 G173 H175 W191V169-V189 HydrophobicContact CG1-CG2 3.37Å; G173-V189 PolarHBondContact O-N 2.82Å; H175-V189 HydrophobicContact CB-CG2 4.31Å; V189-W191 VanDerWaalsContact C-N 3.33Å
190G86Confident93.6Very high27 Ų2728 Ų2828%0.27816%0.159SC..THydrogen-bonded Turntrans84.42.5178.800000114.4P188 D192 F195P188-G190 PolarHBondContact O-N 3.09Å; G190-D192 PolarHBondContact O-N 2.87Å; G190-F195 WeakPolarHBondContact O-CB 3.44Å
191W90.9Very high94.1Very high12 Ų1227.7 Ų27.75%0.04514%0.143CC..  trans-85.323.2174.2-72.716.7000113.7N73 L75 Q87 I89 V92 G127 F187 P188 V189 F195N73-W191 PolarHBondContact ND2-O 3.27Å; L75-W191 HydrophobicContact CD1-CD2 3.78Å; L75-W191 HydrophobicContact CD1-CE3 3.21Å; L75-W191 HydrophobicContact CD1-CG 4.44Å; L75-W191 HydrophobicContact CD1-CH2 4.17Å; L75-W191 HydrophobicContact CD1-CZ3 3.51Å; L75-W191 HydrophobicContact CD2-CD2 3.41Å; L75-W191 VanDerWaalsContact CD2-CD2 3.41Å; L75-W191 HydrophobicContact CD2-CE3 3.63Å; L75-W191 HydrophobicContact CD2-CG 4.02Å; L75-W191 HydrophobicContact CD2-CH2 3.62Å; L75-W191 HydrophobicContact CD2-CZ2 3.34Å; L75-W191 HydrophobicContact CD2-CZ3 3.79Å; L75-W191 HydrophobicContact CG-CD2 4.14Å; L75-W191 HydrophobicContact CG-CE3 4.02Å; L75-W191 HydrophobicContact CG-CZ3 4.28Å; Q87-W191 HydrophobicContact CB-CZ2 4.42Å; Q87-W191 HydrophobicContact CG-CH2 4.42Å; Q87-W191 HydrophobicContact CG-CZ2 4.21Å; I89-W191 HydrophobicContact CB-CZ3 4.21Å; V92-W191 HydrophobicContact CB-CZ2 4.14Å; V92-W191 HydrophobicContact CG2-CH2 3.92Å; V92-W191 HydrophobicContact CG2-CZ2 3.34Å; G127-W191 WeakPolarHBondContact O-CZ3 3.16Å; F187-W191 HydrophobicContact CD2-CB 4.19Å; P188-W191 HydrophobicContact CB-CD2 3.67Å; P188-W191 HydrophobicContact CB-CE3 4.19Å; P188-W191 HydrophobicContact CB-CG 3.83Å; P188-W191 HydrophobicContact CB-CZ2 4.49Å; P188-W191 HydrophobicContact CG-CD2 3.5Å; P188-W191 VanDerWaalsContact CG-CD2 3.5Å; P188-W191 HydrophobicContact CG-CE3 3.51Å; P188-W191 HydrophobicContact CG-CG 4.17Å; P188-W191 HydrophobicContact CG-CH2 3.99Å; P188-W191 HydrophobicContact CG-CZ2 4.01Å; P188-W191 HydrophobicContact CG-CZ3 3.69Å; P188-W191 WeakPolarHBondContact O-CB 3.48Å; P188-W191 PolarHBondContact O-N 2.69Å; V189-W191 VanDerWaalsContact C-N 3.33Å; W191-F195 AromaticContact CD1-CD2 3.68Å; W191-F195 AromaticContact CD1-CE2 3.75Å; W191-F195 AromaticContact NE1-CE2 3.56Å
192D90.5Very high94.3Very high24 Ų2429.8 Ų29.813%0.12816%0.157CC..SBendtrans-77.6-178.1161.161.358.6000110.5G190 R194 F195G190-D192 PolarHBondContact O-N 2.87Å; D192-R194 PolarHBondContact O-N 3.03Å; D192-R194 WeakPolarHBondContact OD1-CB 3.35Å; D192-R194 VanDerWaalsContact OD1-CG 3.26Å; D192-R194 WeakPolarHBondContact OD1-CG 3.32Å; D192-R194 IonicContact OD1-CZ 3.36Å; D192-R194 PolarHBondContact OD1-N 3.49Å; D192-R194 IonicContact OD1-NE 3.23Å; D192-R194 PolarHBondContact OD1-NE 3.13Å; D192-R194 IonicContact OD1-NH2 2.68Å; D192-R194 IonicContact OD2-CZ 3.61Å; D192-R194 IonicContact OD2-NE 3.79Å; D192-R194 PolarHBondContact OD2-NE 2.96Å; D192-R194 IonicContact OD2-NH2 2.61Å; D192-R194 PolarHBondContact OD2-NH2 3.42Å; D192-F195 VanDerWaalsContact O-CB 3.25Å; D192-F195 WeakPolarHBondContact O-CB 3.34Å; D192-F195 PolarHBondContact O-N 3.21Å
193K95.1Very high94.3Very high2 Ų232.3 Ų32.31%0.00917%0.17CC..G310 helixtrans-59-19.4-175.5-72.2-170.7169.6-177.10114.5D11 V43 N73 F195 C196 D221 L224D11-K193 VanDerWaalsContact CB-NZ 3.33Å; D11-K193 IonicContact OD1-NZ 2.87Å; D11-K193 PolarHBondContact OD1-NZ 3.2Å; V43-K193 HydrophobicContact CG1-CD 4.28Å; V43-K193 HydrophobicContact CG2-CB 4.19Å; V43-K193 HydrophobicContact CG2-CD 4.27Å; V43-K193 HydrophobicContact CG2-CG 4Å; V43-K193 PolarHBondContact O-NZ 3.43Å; N73-K193 WeakPolarHBondContact OD1-CG 3.28Å; K193-F195 PolarHBondContact O-N 3.2Å; K193-C196 PolarHBondContact O-N 2.93Å; K193-C196 PolarHBondContact O-SG 3.29Å; K193-D221 WeakPolarHBondContact CD-OD1 3.37Å; K193-D221 WeakPolarHBondContact CE-OD1 3.37Å; K193-D221 IonicContact NZ-OD1 3.52Å; K193-D221 PolarHBondContact NZ-OD1 2.99Å; K193-L224 HydrophobicContact CB-CB 3.85Å; K193-L224 HydrophobicContact CB-CD2 3.62Å; K193-L224 HydrophobicContact CB-CG 4.32Å; K193-L224 HydrophobicContact CD-CD2 4.36Å
194R95.5Very high94.2Very high92 Ų9234.2 Ų34.235%0.34719%0.191SC..G310 helixtrans-64.2-18.8173.1-60.8174.3-67.1179.3-3.6112.9D192 C196 L197 E223 L224 D227D192-R194 PolarHBondContact O-N 3.03Å; D192-R194 WeakPolarHBondContact OD1-CB 3.35Å; D192-R194 VanDerWaalsContact OD1-CG 3.26Å; D192-R194 WeakPolarHBondContact OD1-CG 3.32Å; D192-R194 IonicContact OD1-CZ 3.36Å; D192-R194 PolarHBondContact OD1-N 3.49Å; D192-R194 IonicContact OD1-NE 3.23Å; D192-R194 PolarHBondContact OD1-NE 3.13Å; D192-R194 IonicContact OD1-NH2 2.68Å; D192-R194 IonicContact OD2-CZ 3.61Å; D192-R194 IonicContact OD2-NE 3.79Å; D192-R194 PolarHBondContact OD2-NE 2.96Å; D192-R194 IonicContact OD2-NH2 2.61Å; D192-R194 PolarHBondContact OD2-NH2 3.42Å; R194-C196 PolarHBondContact O-N 2.82Å; R194-L197 HydrophobicContact CB-CD1 4.26Å; R194-L197 HydrophobicContact CG-CD1 4.44Å; R194-L197 VanDerWaalsContact O-CB 3.27Å; R194-L197 WeakPolarHBondContact O-CB 3.15Å; R194-L197 PolarHBondContact O-N 3.31Å; R194-E223 VanDerWaalsContact CD-O 3.32Å; R194-E223 WeakPolarHBondContact CD-O 3.46Å; R194-E223 HydrophobicContact CG-CB 4.3Å; R194-L224 HydrophobicContact CG-CB 4.29Å; R194-L224 HydrophobicContact CG-CD1 4.34Å; R194-D227 WeakPolarHBondContact CD-OD2 3.29Å; R194-D227 HydrophobicContact CG-CB 4.29Å
195F94.5Very high94.2Very high27 Ų2734.6 Ų34.612%0.11819%0.192CC..G310 helixtrans-56.2-36.6177.8-170-103.6000111.9L75 G190 W191 D192 K193 L197 Q198 Y199L75-F195 HydrophobicContact CD2-CD1 3.97Å; L75-F195 HydrophobicContact CD2-CE1 3.55Å; L75-F195 HydrophobicContact CD2-CZ 3.88Å; L75-F195 HydrophobicContact CG-CD1 4.39Å; L75-F195 HydrophobicContact CG-CE1 4.33Å; G190-F195 WeakPolarHBondContact O-CB 3.44Å; W191-F195 AromaticContact CD1-CD2 3.68Å; W191-F195 AromaticContact CD1-CE2 3.75Å; W191-F195 AromaticContact NE1-CE2 3.56Å; D192-F195 VanDerWaalsContact O-CB 3.25Å; D192-F195 WeakPolarHBondContact O-CB 3.34Å; D192-F195 PolarHBondContact O-N 3.21Å; K193-F195 PolarHBondContact O-N 3.2Å; F195-L197 PolarHBondContact O-N 3.2Å; F195-Q198 VanDerWaalsContact CD2-NE2 3.31Å; F195-Q198 WeakPolarHBondContact O-CG 3.35Å; F195-Q198 PolarHBondContact O-NE2 2.85Å; F195-Y199 HydrophobicContact CD1-CE2 4.42Å; F195-Y199 HydrophobicContact CE1-CE2 4.33Å; F195-Y199 WeakPolarHBondContact CE1-OH 3.31Å
196C96.4Very high94.3Very high0 Ų037 Ų370%021%0.212CC..G310 helixtrans-67.6-22.3178.675.80000114.1V43 F70 N73 K193 R194 Q198 Y199V43-C196 HydrophobicContact CG2-CB 4.33Å; F70-C196 HydrophobicContact CB-CB 4.08Å; F70-C196 HydrophobicContact CD1-CB 4.02Å; F70-C196 HydrophobicContact CD2-CB 3.5Å; F70-C196 HydrophobicContact CE1-CB 4.31Å; F70-C196 HydrophobicContact CE2-CB 3.82Å; F70-C196 HydrophobicContact CG-CB 3.6Å; F70-C196 HydrophobicContact CZ-CB 4.21Å; N73-C196 PolarHBondContact O-N 3.48Å; K193-C196 PolarHBondContact O-N 2.93Å; K193-C196 PolarHBondContact O-SG 3.29Å; R194-C196 PolarHBondContact O-N 2.82Å; C196-Q198 PolarHBondContact O-N 2.48Å; C196-Y199 WeakPolarHBondContact O-CD2 3.41Å; C196-Y199 PolarHBondContact O-N 3.44Å
197L97.3Very high94.4Very high0 Ų039.8 Ų39.80%023%0.225CC..Hα-helixtrans-62.8-29.1-177-68.5177.7000112.7L9 R194 F195 Y199 L200 V201 I208 L224 D227 R229 T230L9-L197 HydrophobicContact CD2-CD2 4.48Å; R194-L197 HydrophobicContact CB-CD1 4.26Å; R194-L197 HydrophobicContact CG-CD1 4.44Å; R194-L197 VanDerWaalsContact O-CB 3.27Å; R194-L197 WeakPolarHBondContact O-CB 3.15Å; R194-L197 PolarHBondContact O-N 3.31Å; F195-L197 PolarHBondContact O-N 3.2Å; L197-Y199 PolarHBondContact O-N 2.81Å; L197-L200 PolarHBondContact O-N 3.19Å; L197-V201 WeakPolarHBondContact O-CB 3.46Å; L197-V201 VanDerWaalsContact O-CG2 3.3Å; L197-V201 WeakPolarHBondContact O-CG2 3.37Å; L197-V201 PolarHBondContact O-N 2.88Å; L197-I208 HydrophobicContact CD2-CD1 3.91Å; L197-I208 HydrophobicContact CD2-CG2 4.13Å; L197-L224 HydrophobicContact CD1-CD1 3.59Å; L197-L224 HydrophobicContact CD2-CD1 3.82Å; L197-L224 HydrophobicContact CG-CD1 3.67Å; L197-D227 HydrophobicContact CD1-CB 4.13Å; L197-R229 HydrophobicContact CD1-CB 4.3Å; L197-T230 HydrophobicContact CD1-CG2 4.07Å; L197-T230 HydrophobicContact CD2-CG2 3.82Å
198Q95.3Very high94.7Very high72 Ų7238.4 Ų38.434%0.33622%0.219SC..Hα-helixtrans-56.5-40.9178.876.4-167.3-73.600111F195 C196 D202F195-Q198 VanDerWaalsContact CD2-NE2 3.31Å; F195-Q198 WeakPolarHBondContact O-CG 3.35Å; F195-Q198 PolarHBondContact O-NE2 2.85Å; C196-Q198 PolarHBondContact O-N 2.48Å; Q198-D202 VanDerWaalsContact O-CB 3.32Å; Q198-D202 WeakPolarHBondContact O-CB 3.38Å; Q198-D202 PolarHBondContact O-N 3.13Å
199Y96.1Very high94.9Very high20 Ų2038.5 Ų38.58%0.07822%0.219CC..Hα-helixtrans-71.3-37.7-178.9-49.1-56.8000112.2F70 G74 A77 F84 H85 F195 C196 L197 D203F70-Y199 HydrophobicContact CD1-CD2 4.13Å; F70-Y199 AromaticContact CE1-CD2 3.44Å; F70-Y199 HydrophobicContact CE1-CD2 3.44Å; F70-Y199 VanDerWaalsContact CE1-CD2 3.44Å; F70-Y199 HydrophobicContact CE1-CE2 4.23Å; F70-Y199 HydrophobicContact CE1-CG 4.15Å; F70-Y199 HydrophobicContact CZ-CD2 4.01Å; G74-Y199 WeakPolarHBondContact O-CE2 3.4Å; G74-Y199 PolarHBondContact O-OH 2.91Å; A77-Y199 HydrophobicContact CB-CD2 4.33Å; A77-Y199 HydrophobicContact CB-CE2 4.09Å; F84-Y199 AromaticContact CE2-CD1 3.54Å; F84-Y199 HydrophobicContact CE2-CD1 3.54Å; F84-Y199 HydrophobicContact CE2-CD2 4.45Å; F84-Y199 AromaticContact CE2-CE1 3.96Å; F84-Y199 HydrophobicContact CE2-CE1 3.96Å; F84-Y199 AromaticContact CE2-CG 3.81Å; F84-Y199 HydrophobicContact CE2-CG 3.81Å; F84-Y199 HydrophobicContact CZ-CD1 4.12Å; F84-Y199 HydrophobicContact CZ-CD2 4.31Å; F84-Y199 AromaticContact CZ-CG 3.89Å; F84-Y199 HydrophobicContact CZ-CG 3.89Å; H85-Y199 HydrophobicContact CB-CE1 4.15Å; H85-Y199 AromaticContact CD2-CZ 3.97Å; H85-Y199 PolarHBondContact CD2-OH 2.82Å; H85-Y199 AromaticContact CG-CZ 3.87Å; H85-Y199 PolarHBondContact NE2-OH 2.79Å; F195-Y199 HydrophobicContact CD1-CE2 4.42Å; F195-Y199 HydrophobicContact CE1-CE2 4.33Å; F195-Y199 WeakPolarHBondContact CE1-OH 3.31Å; C196-Y199 WeakPolarHBondContact O-CD2 3.41Å; C196-Y199 PolarHBondContact O-N 3.44Å; L197-Y199 PolarHBondContact O-N 2.81Å; Y199-D203 WeakPolarHBondContact O-CB 3.36Å; Y199-D203 PolarHBondContact O-N 3.26Å
200L97Very high95.3Very high0 Ų034.8 Ų34.80%020%0.196CC..Hα-helixtrans-70.8-41.5179.2-59.5-174.4000111.3I7 L9 Y68 F70 L197 D203 G204 F205 I208I7-L200 HydrophobicContact CD1-CD2 3.84Å; I7-L200 HydrophobicContact CG2-CD1 4.28Å; L9-L200 HydrophobicContact CD2-CD1 4.23Å; Y68-L200 HydrophobicContact CD1-CD2 4.21Å; Y68-L200 HydrophobicContact CD2-CD2 3.64Å; Y68-L200 HydrophobicContact CE1-CD2 4.26Å; Y68-L200 HydrophobicContact CE2-CD2 3.74Å; Y68-L200 HydrophobicContact CG-CD2 3.89Å; F70-L200 HydrophobicContact CE2-CD1 4.36Å; F70-L200 HydrophobicContact CE2-CD2 3.92Å; F70-L200 HydrophobicContact CE2-CG 4.13Å; F70-L200 HydrophobicContact CZ-CD2 3.93Å; F70-L200 HydrophobicContact CZ-CG 4.27Å; L197-L200 PolarHBondContact O-N 3.19Å; L200-D203 PolarHBondContact O-N 2.78Å; L200-G204 PolarHBondContact O-N 3.15Å; L200-F205 HydrophobicContact CB-CB 4.45Å; L200-F205 HydrophobicContact CB-CD2 4.21Å; L200-F205 HydrophobicContact CD2-CD2 4.29Å; L200-F205 HydrophobicContact CD2-CE2 4.49Å; L200-F205 WeakPolarHBondContact O-CB 3.33Å; L200-F205 VanDerWaalsContact O-CD2 3.3Å; L200-F205 WeakPolarHBondContact O-CD2 3.4Å; L200-F205 PolarHBondContact O-N 2.97Å; L200-F205 VanDerWaalsContact O-N 3.08Å; L200-I208 HydrophobicContact CB-CD1 3.92Å; L200-I208 HydrophobicContact CD1-CD1 4.33Å; L200-I208 HydrophobicContact CD1-CG2 4.11Å
201V95.7Very high95.9Very high63 Ų6333.5 Ų33.538%0.38218%0.183SC..Hα-helixtrans-65.7-44177.1172.50000111L197 D203 G204 I208L197-V201 WeakPolarHBondContact O-CB 3.46Å; L197-V201 VanDerWaalsContact O-CG2 3.3Å; L197-V201 WeakPolarHBondContact O-CG2 3.37Å; L197-V201 PolarHBondContact O-N 2.88Å; V201-D203 PolarHBondContact O-N 2.95Å; V201-G204 WeakPolarHBondContact O-CA 3.21Å; V201-G204 PolarHBondContact O-N 2.82Å; V201-I208 HydrophobicContact CG2-CD1 4.36Å
202D95Very high96.3Very high134 Ų13432.9 Ų32.972%0.71718%0.181SC*.Hα-helixtrans-60.8-30.8177.1-74.7-9.6000112.1Q198 G204Q198-D202 VanDerWaalsContact O-CB 3.32Å; Q198-D202 WeakPolarHBondContact O-CB 3.38Å; Q198-D202 PolarHBondContact O-N 3.13Å; D202-G204 PolarHBondContact O-N 3.48Å
203D95.1Very high96.7Very high55 Ų5533.9 Ų33.929%0.29419%0.186SC..THydrogen-bonded Turntrans-81.22.5174.8-118.262.9000114.2K5 Y68 K79 Y199 L200 V201 F205K5-D203 PolarHBondContact NZ-O 3.28Å; K5-D203 IonicContact NZ-OD2 3.82Å; Y68-D203 WeakPolarHBondContact OH-CB 3.21Å; Y68-D203 PolarHBondContact OH-OD1 2.89Å; Y68-D203 PolarHBondContact OH-OD2 3.28Å; K79-D203 IonicContact NZ-OD1 2.69Å; K79-D203 PolarHBondContact NZ-OD1 2.89Å; K79-D203 IonicContact NZ-OD2 2.79Å; K79-D203 PolarHBondContact NZ-OD2 2.81Å; Y199-D203 WeakPolarHBondContact O-CB 3.36Å; Y199-D203 PolarHBondContact O-N 3.26Å; L200-D203 PolarHBondContact O-N 2.78Å; V201-D203 PolarHBondContact O-N 2.95Å; D203-F205 HydrophobicContact CB-CD2 3.98Å; D203-F205 HydrophobicContact CB-CE2 3.99Å
204G95.8Very high96.7Very high45 Ų4540.7 Ų40.746%0.46421%0.212SC..THydrogen-bonded Turntrans81.816.4174.500000115.1K5 L200 V201 D202 S206K5-G204 WeakPolarHBondContact CB-O 3.43Å; L200-G204 PolarHBondContact O-N 3.15Å; V201-G204 WeakPolarHBondContact O-CA 3.21Å; V201-G204 PolarHBondContact O-N 2.82Å; D202-G204 PolarHBondContact O-N 3.48Å; G204-S206 PolarHBondContact O-N 3.24Å
205F96.9Very high96.8Very high7 Ų736.3 Ų36.33%0.03120%0.195CC..  trans-70.4119.3172-68.1-76.7000110K5 V6 I7 P39 Y68 L200 D203 I208K5-F205 HydrophobicContact CB-CD1 4.25Å; K5-F205 HydrophobicContact CD-CD1 3.96Å; K5-F205 HydrophobicContact CD-CE1 3.96Å; K5-F205 HydrophobicContact CD-CG 4.38Å; K5-F205 HydrophobicContact CD-CZ 4.36Å; K5-F205 HydrophobicContact CG-CD1 3.66Å; K5-F205 HydrophobicContact CG-CE1 3.74Å; K5-F205 HydrophobicContact CG-CG 4.46Å; K5-F205 WeakPolarHBondContact O-CA 3.46Å; V6-F205 WeakPolarHBondContact O-CE1 3.34Å; I7-F205 HydrophobicContact CB-CD1 3.58Å; I7-F205 HydrophobicContact CB-CE1 3.68Å; I7-F205 HydrophobicContact CB-CG 4.1Å; I7-F205 HydrophobicContact CB-CZ 4.28Å; I7-F205 HydrophobicContact CD1-CD2 4.42Å; I7-F205 HydrophobicContact CD1-CE1 4.22Å; I7-F205 HydrophobicContact CD1-CE2 4.05Å; I7-F205 HydrophobicContact CD1-CZ 3.93Å; I7-F205 HydrophobicContact CG1-CE1 4.41Å; I7-F205 HydrophobicContact CG2-CB 3.94Å; I7-F205 HydrophobicContact CG2-CD1 3.69Å; I7-F205 HydrophobicContact CG2-CD2 4.37Å; I7-F205 HydrophobicContact CG2-CE1 4.27Å; I7-F205 HydrophobicContact CG2-CG 3.75Å; P39-F205 HydrophobicContact CB-CE1 4.23Å; P39-F205 HydrophobicContact CB-CZ 4.27Å; P39-F205 HydrophobicContact CG-CE1 4.09Å; P39-F205 HydrophobicContact CG-CZ 4.34Å; Y68-F205 AromaticContact CE2-CE2 3.81Å; Y68-F205 HydrophobicContact CE2-CE2 3.81Å; Y68-F205 HydrophobicContact CE2-CZ 4.41Å; L200-F205 HydrophobicContact CB-CB 4.45Å; L200-F205 HydrophobicContact CB-CD2 4.21Å; L200-F205 HydrophobicContact CD2-CD2 4.29Å; L200-F205 HydrophobicContact CD2-CE2 4.49Å; L200-F205 WeakPolarHBondContact O-CB 3.33Å; L200-F205 VanDerWaalsContact O-CD2 3.3Å; L200-F205 WeakPolarHBondContact O-CD2 3.4Å; L200-F205 PolarHBondContact O-N 2.97Å; L200-F205 VanDerWaalsContact O-N 3.08Å; D203-F205 HydrophobicContact CB-CD2 3.98Å; D203-F205 HydrophobicContact CB-CE2 3.99Å; F205-I208 HydrophobicContact CB-CD1 4.45Å; F205-I208 HydrophobicContact CB-CG1 4.1Å
206S95.5Very high96.8Very high83 Ų8340 Ų4058%0.5822%0.216SC*.  trans-106.2-13.2-178.561.60000113.1P4 K5 G204P4-S206 VanDerWaalsContact CA-OG 3.31Å; P4-S206 WeakPolarHBondContact CA-OG 3.3Å; P4-S206 WeakPolarHBondContact CB-OG 3.1Å; K5-S206 PolarHBondContact N-OG 2.83Å; K5-S206 PolarHBondContact O-N 2.89Å; G204-S206 PolarHBondContact O-N 3.24Å
207E97.4Very high96.5Very high59 Ų5945.1 Ų45.128%0.27625%0.249SC..EExtended strand (participates in β ladder)trans-129.399.1177.2-172.5174.1153.100108.5P4 K5 V6 I7 H209 I231P4-E207 HydrophobicContact CB-CB 4.17Å; P4-E207 WeakPolarHBondContact CG-OE2 3.2Å; K5-E207 PolarHBondContact O-N 2.75Å; V6-E207 CarbonylContact C-O 3.59Å; V6-E207 VanDerWaalsContact CA-O 3.32Å; V6-E207 WeakPolarHBondContact CA-O 3.31Å; V6-E207 HydrophobicContact CB-CB 4.41Å; V6-E207 HydrophobicContact CG1-CB 4.29Å; V6-E207 HydrophobicContact CG1-CG 4.13Å; V6-E207 HydrophobicContact CG2-CB 4.07Å; V6-E207 HydrophobicContact CG2-CG 4.35Å; I7-E207 PolarHBondContact N-O 3.4Å; E207-H209 IonicContact OE1-CE1 3.62Å; E207-H209 IonicContact OE1-NE2 3.13Å; E207-H209 PolarHBondContact OE1-NE2 3.5Å; E207-H209 VanDerWaalsContact OE1-NE2 3.13Å; E207-I231 HydrophobicContact CG-CD1 3.68Å
208I98.5Very high95.8Very high2 Ų249 Ų491%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-109.9100.4-175.4-56.2173.8000107.7I7 L9 L197 L200 V201 F205 T230 I231I7-I208 HydrophobicContact CG2-CB 4.23Å; I7-I208 HydrophobicContact CG2-CG1 3.9Å; I7-I208 HydrophobicContact CG2-CG2 4.1Å; L9-I208 HydrophobicContact CB-CG2 4.31Å; L197-I208 HydrophobicContact CD2-CD1 3.91Å; L197-I208 HydrophobicContact CD2-CG2 4.13Å; L200-I208 HydrophobicContact CB-CD1 3.92Å; L200-I208 HydrophobicContact CD1-CD1 4.33Å; L200-I208 HydrophobicContact CD1-CG2 4.11Å; V201-I208 HydrophobicContact CG2-CD1 4.36Å; F205-I208 HydrophobicContact CB-CD1 4.45Å; F205-I208 HydrophobicContact CB-CG1 4.1Å; I208-T230 HydrophobicContact CG2-CG2 4.23Å; I208-T230 CarbonylContact O-C 3.54Å; I208-T230 WeakPolarHBondContact O-CA 3.33Å; I208-I231 PolarHBondContact O-N 3.01Å
209H98.6Very high95.5Very high6 Ų646.3 Ų46.33%0.02828%0.28CS..EExtended strand (participates in β ladder)trans-75.8130170.5-66-69.6000109.1I7 L9 E207 F211 I231 H233I7-H209 PolarHBondContact O-N 3.35Å; L9-H209 PolarHBondContact N-O 2.74Å; E207-H209 IonicContact OE1-CE1 3.62Å; E207-H209 IonicContact OE1-NE2 3.13Å; E207-H209 PolarHBondContact OE1-NE2 3.5Å; E207-H209 VanDerWaalsContact OE1-NE2 3.13Å; H209-F211 HydrophobicContact CB-CE2 3.9Å; H209-I231 WeakPolarHBondContact CA-O 3.44Å; H209-H233 AromaticContact CE1-NE2 3.92Å; H209-H233 AromaticContact CG-NE2 3.52Å; H209-H233 AromaticContact ND1-CD2 3.93Å; H209-H233 AromaticContact ND1-CE1 3.84Å; H209-H233 AromaticContact ND1-NE2 2.95Å; H209-H233 PolarHBondContact ND1-NE2 3.28Å
210F98.8Very high95.2Very high0 Ų049.1 Ų49.10%030%0.297CS..EExtended strand (participates in β ladder)trans-117.9128.4175.4171.1-115.4000110.6L9 D11 V43 D221 L224 T230 I231 H233L9-F210 HydrophobicContact CB-CD2 4.37Å; L9-F210 HydrophobicContact CD2-CD2 4.16Å; L9-F210 HydrophobicContact CG-CD2 4.05Å; L9-F210 CarbonylContact O-C 3.42Å; L9-F210 VanDerWaalsContact O-CA 3.28Å; L9-F210 WeakPolarHBondContact O-CA 3.12Å; D11-F210 HydrophobicContact CB-CE2 4.31Å; D11-F210 HydrophobicContact CB-CZ 4.42Å; V43-F210 HydrophobicContact CG1-CE2 4.05Å; F210-D221 HydrophobicContact CE1-CB 3.8Å; F210-D221 HydrophobicContact CZ-CB 3.76Å; F210-L224 HydrophobicContact CD1-CB 4.32Å; F210-L224 HydrophobicContact CD1-CD2 4.18Å; F210-L224 HydrophobicContact CD1-CG 3.81Å; F210-L224 HydrophobicContact CD2-CD2 3.48Å; F210-L224 VanDerWaalsContact CD2-CD2 3.48Å; F210-L224 HydrophobicContact CD2-CG 3.97Å; F210-L224 HydrophobicContact CE1-CB 4.05Å; F210-L224 HydrophobicContact CE1-CD2 4.07Å; F210-L224 HydrophobicContact CE1-CG 3.91Å; F210-L224 HydrophobicContact CE2-CD2 3.38Å; F210-L224 HydrophobicContact CE2-CG 4.1Å; F210-L224 HydrophobicContact CG-CD2 3.88Å; F210-L224 HydrophobicContact CG-CG 3.82Å; F210-L224 HydrophobicContact CZ-CB 4.31Å; F210-L224 HydrophobicContact CZ-CD2 3.69Å; F210-L224 HydrophobicContact CZ-CG 4.07Å; F210-T230 HydrophobicContact CB-CG2 4.33Å; F210-I231 PolarHBondContact N-O 3.08Å; F210-H233 PolarHBondContact O-N 3.15Å
211F98.8Very high95.2Very high0 Ų049.1 Ų49.10%030%0.297CS..EExtended strand (participates in β ladder)trans-110.1129.3175.7-62.9-98.9000109.7C8 L9 F10 D11 T15 H209 H233 V235 T241 Q244 L245 L248C8-F211 HydrophobicContact CB-CE2 4.3Å; L9-F211 PolarHBondContact O-N 3.34Å; F10-F211 HydrophobicContact CD1-CB 3.74Å; F10-F211 AromaticContact CD1-CD2 3.67Å; F10-F211 HydrophobicContact CD1-CD2 3.67Å; F10-F211 AromaticContact CD1-CG 3.87Å; F10-F211 HydrophobicContact CD1-CG 3.87Å; F10-F211 HydrophobicContact CE1-CB 4.23Å; F10-F211 AromaticContact CE1-CD2 3.37Å; F10-F211 HydrophobicContact CE1-CD2 3.37Å; F10-F211 AromaticContact CE1-CE2 3.84Å; F10-F211 HydrophobicContact CE1-CE2 3.84Å; F10-F211 AromaticContact CE1-CG 3.81Å; F10-F211 HydrophobicContact CE1-CG 3.81Å; F10-F211 HydrophobicContact CZ-CD2 4.18Å; F10-F211 HydrophobicContact CZ-CE2 4.34Å; D11-F211 PolarHBondContact N-O 2.71Å; T15-F211 HydrophobicContact CG2-CB 3.93Å; T15-F211 WeakPolarHBondContact CG2-O 3.36Å; H209-F211 HydrophobicContact CB-CE2 3.9Å; F211-H233 WeakPolarHBondContact CA-O 3.42Å; F211-H233 HydrophobicContact CD1-CB 3.41Å; F211-H233 VanDerWaalsContact CD1-CB 3.41Å; F211-H233 AromaticContact CD1-CG 3.98Å; F211-H233 HydrophobicContact CE1-CB 3.48Å; F211-H233 VanDerWaalsContact CE1-CB 3.48Å; F211-H233 AromaticContact CE1-CD2 3.67Å; F211-H233 AromaticContact CE1-CG 3.55Å; F211-H233 AromaticContact CE2-CD2 3.65Å; F211-H233 HydrophobicContact CG-CB 4Å; F211-H233 HydrophobicContact CZ-CB 4.13Å; F211-H233 AromaticContact CZ-CD2 3.37Å; F211-H233 WeakPolarHBondContact CZ-CD2 3.37Å; F211-H233 AromaticContact CZ-CG 3.75Å; F211-H233 AromaticContact CZ-NE2 3.81Å; F211-V235 HydrophobicContact CB-CG1 4.5Å; F211-V235 HydrophobicContact CD1-CG1 3.97Å; F211-T241 HydrophobicContact CB-CG2 4.33Å; F211-T241 HydrophobicContact CD1-CG2 4.11Å; F211-T241 HydrophobicContact CG-CG2 4.32Å; F211-Q244 HydrophobicContact CE1-CB 4.08Å; F211-L245 HydrophobicContact CE1-CD2 4.09Å; F211-L245 HydrophobicContact CE1-CG 4.24Å; F211-L245 HydrophobicContact CE2-CD2 3.68Å; F211-L245 HydrophobicContact CZ-CD2 3.43Å; F211-L245 VanDerWaalsContact CZ-CD2 3.43Å; F211-L245 HydrophobicContact CZ-CG 4.08Å; F211-L248 HydrophobicContact CZ-CD2 4.19Å
212G98.5Very high95.1Very high0 Ų048 Ų480%029%0.287CS..EExtended strand (participates in β ladder)trans-156.8147179.800000113.4T15 T215 H233 V235T15-G212 WeakPolarHBondContact OG1-CA 3.34Å; G212-T215 VanDerWaalsContact O-CG2 3.32Å; G212-T215 WeakPolarHBondContact O-CG2 3.46Å; G212-H233 PolarHBondContact N-O 2.9Å; G212-V235 PolarHBondContact O-N 3.25Å; G212-V235 VanDerWaalsContact O-N 3.07Å
213D98.1Very high95.1Very high45 Ų4544.9 Ų44.924%0.24127%0.268CS..SBendtrans-87.2-32.5178.677.5-51.3000112.1T15 T215 D221 V235T15-D213 PolarHBondContact OG1-N 3.37Å; D213-T215 PolarHBondContact O-N 2.92Å; D213-D221 PolarHBondContact N-OD2 2.69Å; D213-V235 WeakPolarHBondContact CA-O 3.42Å; D213-V235 HydrophobicContact CB-CG2 4.38Å
214R95.5Very high95.2Very high144 Ų14442.3 Ų42.354%0.54325%0.254SS..  trans-101.453.8-173.1-58.4-141179.5-164.90.7113.3G219 N220 D221 H222R214-G219 CarbonylContact O-C 3.5Å; R214-G219 VanDerWaalsContact O-C 3.25Å; R214-G219 WeakPolarHBondContact O-CA 3.47Å; R214-N220 WeakPolarHBondContact CB-OD1 3.4Å; R214-N220 WeakPolarHBondContact CD-OD1 3.47Å; R214-N220 WeakPolarHBondContact CG-OD1 3.13Å; R214-D221 HydrophobicContact CB-CB 4.47Å; R214-D221 PolarHBondContact N-OD2 3.19Å; R214-D221 WeakPolarHBondContact O-CB 3.41Å; R214-D221 PolarHBondContact O-N 3.25Å; R214-H222 PolarHBondContact O-N 2.87Å
215T97Very high95.3Very high1 Ų142.9 Ų42.91%0.00624%0.243CC..  trans-91.7-2.3-171.955.60000114.4G212 D213 D221 H222 Y225 R234G212-T215 VanDerWaalsContact O-CG2 3.32Å; G212-T215 WeakPolarHBondContact O-CG2 3.46Å; D213-T215 PolarHBondContact O-N 2.92Å; T215-D221 HydrophobicContact CG2-CB 3.77Å; T215-H222 PolarHBondContact O-ND1 2.99Å; T215-Y225 HydrophobicContact CG2-CD1 4.44Å; T215-Y225 HydrophobicContact CG2-CD2 3.45Å; T215-Y225 VanDerWaalsContact CG2-CD2 3.45Å; T215-Y225 HydrophobicContact CG2-CE2 4.2Å; T215-Y225 HydrophobicContact CG2-CG 3.61Å; T215-R234 WeakPolarHBondContact OG1-CG 3.44Å; T215-R234 VanDerWaalsContact OG1-CZ 3.25Å; T215-R234 PolarHBondContact OG1-NE 2.9Å; T215-R234 PolarHBondContact OG1-NH2 3.39Å
216L94.4Very high95.3Very high105 Ų10548.2 Ų48.255%0.5527%0.268SS..SBendtrans-75.6154.8172.7-73.5172.3000111.7G218 G219 H222 R234L216-G218 PolarHBondContact O-N 3.37Å; L216-G219 PolarHBondContact O-N 3.11Å; L216-H222 WeakPolarHBondContact O-CB 3.32Å; L216-R234 VanDerWaalsContact CG-NH1 3.34Å
217P91.4Very high95.4Very high107 Ų10745 Ų4570%0.69524%0.244SC*.THydrogen-bonded Turntrans-48.5125.1175.9-29.135.1000113
218G82.7Confident95.4Very high81 Ų8150.2 Ų50.284%0.83527%0.268SS*.THydrogen-bonded Turntrans90.7-7.5-175.800000115.1L216L216-G218 PolarHBondContact O-N 3.37Å
219G88.8Confident95.3Very high15 Ų1554.3 Ų54.316%0.15528%0.284CS..SBendtrans-80.1151.5166.500000111.8R214 L216 D221 H222R214-G219 CarbonylContact O-C 3.5Å; R214-G219 VanDerWaalsContact O-C 3.25Å; R214-G219 WeakPolarHBondContact O-CA 3.47Å; L216-G219 PolarHBondContact O-N 3.11Å; G219-D221 PolarHBondContact O-N 3.49Å; G219-H222 VanDerWaalsContact O-CB 3.29Å; G219-H222 WeakPolarHBondContact O-CB 3.19Å; G219-H222 PolarHBondContact O-N 3.4Å
220N90.4Very high95.3Very high79 Ų7954.8 Ų54.842%0.42229%0.287SS..THydrogen-bonded Turntrans-71.7-9.8-175.758.7-53.2000114.4R214R214-N220 WeakPolarHBondContact CB-OD1 3.4Å; R214-N220 WeakPolarHBondContact CD-OD1 3.47Å; R214-N220 WeakPolarHBondContact CG-OD1 3.13Å
221D95.5Very high95.3Very high0 Ų058.4 Ų58.40%031%0.306CS..THydrogen-bonded Turntrans-98.2-12175.6-59.8-38.8000112.6K193 F210 D213 R214 T215 G219 E223 L224 Y225K193-D221 WeakPolarHBondContact CD-OD1 3.37Å; K193-D221 WeakPolarHBondContact CE-OD1 3.37Å; K193-D221 IonicContact NZ-OD1 3.52Å; K193-D221 PolarHBondContact NZ-OD1 2.99Å; F210-D221 HydrophobicContact CE1-CB 3.8Å; F210-D221 HydrophobicContact CZ-CB 3.76Å; D213-D221 PolarHBondContact N-OD2 2.69Å; R214-D221 HydrophobicContact CB-CB 4.47Å; R214-D221 PolarHBondContact N-OD2 3.19Å; R214-D221 WeakPolarHBondContact O-CB 3.41Å; R214-D221 PolarHBondContact O-N 3.25Å; T215-D221 HydrophobicContact CG2-CB 3.77Å; G219-D221 PolarHBondContact O-N 3.49Å; D221-E223 PolarHBondContact O-N 2.9Å; D221-L224 PolarHBondContact O-N 3.17Å; D221-Y225 VanDerWaalsContact O-CB 3.22Å; D221-Y225 WeakPolarHBondContact O-CB 3.31Å; D221-Y225 PolarHBondContact O-N 2.8Å
222H95.2Very high95.3Very high40 Ų4059.5 Ų59.519%0.18532%0.317CS..Hα-helixtrans-56.8-52.1-169.6-179.759.1000112.3R214 T215 L216 G219 L224 Y225 E226R214-H222 PolarHBondContact O-N 2.87Å; T215-H222 PolarHBondContact O-ND1 2.99Å; L216-H222 WeakPolarHBondContact O-CB 3.32Å; G219-H222 VanDerWaalsContact O-CB 3.29Å; G219-H222 WeakPolarHBondContact O-CB 3.19Å; G219-H222 PolarHBondContact O-N 3.4Å; H222-L224 VanDerWaalsContact C-N 3.29Å; H222-L224 PolarHBondContact O-N 3.39Å; H222-Y225 PolarHBondContact O-N 3.33Å; H222-E226 WeakPolarHBondContact O-CB 3.21Å; H222-E226 WeakPolarHBondContact O-CG 3.34Å; H222-E226 PolarHBondContact O-N 3.41Å
223E94.3Very high95.3Very high68 Ų6861.1 Ų61.132%0.31832%0.324SS..Hα-helixtrans-64.9-34.5-176.9-68.573.6-162.800112.3R194 D221 D227R194-E223 VanDerWaalsContact CD-O 3.32Å; R194-E223 WeakPolarHBondContact CD-O 3.46Å; R194-E223 HydrophobicContact CG-CB 4.3Å; D221-E223 PolarHBondContact O-N 2.9Å; E223-D227 PolarHBondContact O-N 3.42Å
224L96.6Very high95.3Very high1 Ų163.6 Ų63.61%0.00533%0.331CS..Hα-helixtrans-76.4-36.4177.8178.759.1000112.2L9 V43 K193 R194 L197 F210 D221 H222 D227 T230L9-L224 HydrophobicContact CD2-CD1 4.47Å; L9-L224 HydrophobicContact CD2-CD2 3.8Å; V43-L224 HydrophobicContact CG1-CD2 3.93Å; K193-L224 HydrophobicContact CB-CB 3.85Å; K193-L224 HydrophobicContact CB-CD2 3.62Å; K193-L224 HydrophobicContact CB-CG 4.32Å; K193-L224 HydrophobicContact CD-CD2 4.36Å; R194-L224 HydrophobicContact CG-CB 4.29Å; R194-L224 HydrophobicContact CG-CD1 4.34Å; L197-L224 HydrophobicContact CD1-CD1 3.59Å; L197-L224 HydrophobicContact CD2-CD1 3.82Å; L197-L224 HydrophobicContact CG-CD1 3.67Å; F210-L224 HydrophobicContact CD1-CB 4.32Å; F210-L224 HydrophobicContact CD1-CD2 4.18Å; F210-L224 HydrophobicContact CD1-CG 3.81Å; F210-L224 HydrophobicContact CD2-CD2 3.48Å; F210-L224 VanDerWaalsContact CD2-CD2 3.48Å; F210-L224 HydrophobicContact CD2-CG 3.97Å; F210-L224 HydrophobicContact CE1-CB 4.05Å; F210-L224 HydrophobicContact CE1-CD2 4.07Å; F210-L224 HydrophobicContact CE1-CG 3.91Å; F210-L224 HydrophobicContact CE2-CD2 3.38Å; F210-L224 HydrophobicContact CE2-CG 4.1Å; F210-L224 HydrophobicContact CG-CD2 3.88Å; F210-L224 HydrophobicContact CG-CG 3.82Å; F210-L224 HydrophobicContact CZ-CB 4.31Å; F210-L224 HydrophobicContact CZ-CD2 3.69Å; F210-L224 HydrophobicContact CZ-CG 4.07Å; D221-L224 PolarHBondContact O-N 3.17Å; H222-L224 VanDerWaalsContact C-N 3.29Å; H222-L224 PolarHBondContact O-N 3.39Å; L224-D227 PolarHBondContact O-N 3.2Å; L224-T230 HydrophobicContact CD1-CG2 3.75Å; L224-T230 WeakPolarHBondContact O-CG2 3.38Å; L224-T230 PolarHBondContact O-OG1 2.84Å
225Y98.1Very high95.4Very high57 Ų5756.9 Ų56.922%0.22431%0.305CS..Hα-helixtrans-65.4-40.3175.8177.1-91000112.8T215 D221 H222 G232 R234T215-Y225 HydrophobicContact CG2-CD1 4.44Å; T215-Y225 HydrophobicContact CG2-CD2 3.45Å; T215-Y225 VanDerWaalsContact CG2-CD2 3.45Å; T215-Y225 HydrophobicContact CG2-CE2 4.2Å; T215-Y225 HydrophobicContact CG2-CG 3.61Å; D221-Y225 VanDerWaalsContact O-CB 3.22Å; D221-Y225 WeakPolarHBondContact O-CB 3.31Å; D221-Y225 PolarHBondContact O-N 2.8Å; H222-Y225 PolarHBondContact O-N 3.33Å; Y225-G232 VanDerWaalsContact CD2-CA 3.48Å; Y225-G232 VanDerWaalsContact CE2-O 3.32Å; Y225-G232 WeakPolarHBondContact CE2-O 3.45Å; Y225-R234 HydrophobicContact CE2-CB 4.11Å
226E97.3Very high95.5Very high120 Ų12062.3 Ų62.356%0.56134%0.339SS*.SBendtrans-85.8-4.9179.1-63.6-67.5146.500113.3H222 H228H222-E226 WeakPolarHBondContact O-CB 3.21Å; H222-E226 WeakPolarHBondContact O-CG 3.34Å; H222-E226 PolarHBondContact O-N 3.41Å; E226-H228 PolarHBondContact O-N 2.89Å
227D97.3Very high95.6Very high15 Ų1558.7 Ų58.78%0.0832%0.322CS..  trans-67.5124.4180-163.8-60.6000110.3R194 L197 E223 L224 R229 T230R194-D227 WeakPolarHBondContact CD-OD2 3.29Å; R194-D227 HydrophobicContact CG-CB 4.29Å; L197-D227 HydrophobicContact CD1-CB 4.13Å; E223-D227 PolarHBondContact O-N 3.42Å; L224-D227 PolarHBondContact O-N 3.2Å; D227-R229 PolarHBondContact O-N 2.93Å; D227-R229 WeakPolarHBondContact OD1-CB 3.33Å; D227-R229 WeakPolarHBondContact OD1-CG 3.39Å; D227-R229 IonicContact OD1-CZ 3.67Å; D227-R229 PolarHBondContact OD1-N 3.22Å; D227-R229 IonicContact OD1-NE 2.87Å; D227-R229 PolarHBondContact OD1-NE 2.96Å; D227-R229 IonicContact OD1-NH2 2.71Å; D227-R229 IonicContact OD2-CZ 3.53Å; D227-R229 IonicContact OD2-NE 3.52Å; D227-R229 IonicContact OD2-NH2 3.85Å; D227-R229 PolarHBondContact OD2-NH2 3.22Å; D227-T230 HydrophobicContact CB-CG2 4.47Å; D227-T230 PolarHBondContact O-N 3.31Å; D227-T230 PolarHBondContact O-OG1 3.41Å
228H97.4Very high95.9Very high168 Ų16853.8 Ų53.878%0.77829%0.29SS*.THydrogen-bonded Turntrans-53-17.3178.569.3-66.1000115.9E226 T230E226-H228 PolarHBondContact O-N 2.89Å; H228-T230 VanDerWaalsContact C-N 3.31Å
229R97.5Very high96.6Very high88 Ų8854.8 Ų54.833%0.33228%0.276SS..THydrogen-bonded Turntrans-80.8-11175.4-65.4170.4-70.91750.4113.1L197 D227L197-R229 HydrophobicContact CD1-CB 4.3Å; D227-R229 PolarHBondContact O-N 2.93Å; D227-R229 WeakPolarHBondContact OD1-CB 3.33Å; D227-R229 WeakPolarHBondContact OD1-CG 3.39Å; D227-R229 IonicContact OD1-CZ 3.67Å; D227-R229 PolarHBondContact OD1-N 3.22Å; D227-R229 IonicContact OD1-NE 2.87Å; D227-R229 PolarHBondContact OD1-NE 2.96Å; D227-R229 IonicContact OD1-NH2 2.71Å; D227-R229 IonicContact OD2-CZ 3.53Å; D227-R229 IonicContact OD2-NE 3.52Å; D227-R229 IonicContact OD2-NH2 3.85Å; D227-R229 PolarHBondContact OD2-NH2 3.22Å
230T98.1Very high97.1Very high17 Ų1756 Ų5610%0.10428%0.279CS..EExtended strand (participates in β ladder)trans-111.7155.2-178.771.30000112.1L197 I208 F210 L224 D227 H228L197-T230 HydrophobicContact CD1-CG2 4.07Å; L197-T230 HydrophobicContact CD2-CG2 3.82Å; I208-T230 HydrophobicContact CG2-CG2 4.23Å; I208-T230 CarbonylContact O-C 3.54Å; I208-T230 WeakPolarHBondContact O-CA 3.33Å; F210-T230 HydrophobicContact CB-CG2 4.33Å; L224-T230 HydrophobicContact CD1-CG2 3.75Å; L224-T230 WeakPolarHBondContact O-CG2 3.38Å; L224-T230 PolarHBondContact O-OG1 2.84Å; D227-T230 HydrophobicContact CB-CG2 4.47Å; D227-T230 PolarHBondContact O-N 3.31Å; D227-T230 PolarHBondContact O-OG1 3.41Å; H228-T230 VanDerWaalsContact C-N 3.31Å
231I98.5Very high97.4Very high76 Ų7652.2 Ų52.239%0.3926%0.259SS..EExtended strand (participates in β ladder)trans-104.997.2163.1-60.2171.8000105.4E207 I208 H209 F210 H233E207-I231 HydrophobicContact CG-CD1 3.68Å; I208-I231 PolarHBondContact O-N 3.01Å; H209-I231 WeakPolarHBondContact CA-O 3.44Å; F210-I231 PolarHBondContact N-O 3.08Å; I231-H233 PolarHBondContact O-CD2 2.69Å; I231-H233 VanDerWaalsContact O-CD2 3.29Å
232G98.4Very high97.6Very high23 Ų2352.8 Ų52.824%0.23726%0.262CS..EExtended strand (participates in β ladder)trans-74.5126-175.500000113.3Y225Y225-G232 VanDerWaalsContact CD2-CA 3.48Å; Y225-G232 VanDerWaalsContact CE2-O 3.32Å; Y225-G232 WeakPolarHBondContact CE2-O 3.45Å
233H98.7Very high97.7Very high33 Ų3353.6 Ų53.615%0.15328%0.276CS..EExtended strand (participates in β ladder)trans-113.2112.1172.6-59.4-79.2000108.9H209 F210 F211 G212 I231H209-H233 AromaticContact CE1-NE2 3.92Å; H209-H233 AromaticContact CG-NE2 3.52Å; H209-H233 AromaticContact ND1-CD2 3.93Å; H209-H233 AromaticContact ND1-CE1 3.84Å; H209-H233 AromaticContact ND1-NE2 2.95Å; H209-H233 PolarHBondContact ND1-NE2 3.28Å; F210-H233 PolarHBondContact O-N 3.15Å; F211-H233 WeakPolarHBondContact CA-O 3.42Å; F211-H233 HydrophobicContact CD1-CB 3.41Å; F211-H233 VanDerWaalsContact CD1-CB 3.41Å; F211-H233 AromaticContact CD1-CG 3.98Å; F211-H233 HydrophobicContact CE1-CB 3.48Å; F211-H233 VanDerWaalsContact CE1-CB 3.48Å; F211-H233 AromaticContact CE1-CD2 3.67Å; F211-H233 AromaticContact CE1-CG 3.55Å; F211-H233 AromaticContact CE2-CD2 3.65Å; F211-H233 HydrophobicContact CG-CB 4Å; F211-H233 HydrophobicContact CZ-CB 4.13Å; F211-H233 AromaticContact CZ-CD2 3.37Å; F211-H233 WeakPolarHBondContact CZ-CD2 3.37Å; F211-H233 AromaticContact CZ-CG 3.75Å; F211-H233 AromaticContact CZ-NE2 3.81Å; G212-H233 PolarHBondContact N-O 2.9Å; I231-H233 PolarHBondContact O-CD2 2.69Å; I231-H233 VanDerWaalsContact O-CD2 3.29Å
234R98.5Very high97.9Very high98 Ų9852.7 Ų52.737%0.3727%0.272SS..EExtended strand (participates in β ladder)trans-81.1129.9175175.7179.9-61.7-151.4-5.1108.3T215 L216 Y225 Q244T215-R234 WeakPolarHBondContact OG1-CG 3.44Å; T215-R234 VanDerWaalsContact OG1-CZ 3.25Å; T215-R234 PolarHBondContact OG1-NE 2.9Å; T215-R234 PolarHBondContact OG1-NH2 3.39Å; L216-R234 VanDerWaalsContact CG-NH1 3.34Å; Y225-R234 HydrophobicContact CE2-CB 4.11Å; R234-Q244 PolarHBondContact O-NE2 2.7Å
235V98.4Very high98Very high2 Ų252.7 Ų52.71%0.01227%0.271CS..  trans-119.6164175.6-60.40000110.8T15 F211 G212 D213 D240 T241T15-V235 HydrophobicContact CG2-CG2 3.96Å; F211-V235 HydrophobicContact CB-CG1 4.5Å; F211-V235 HydrophobicContact CD1-CG1 3.97Å; G212-V235 PolarHBondContact O-N 3.25Å; G212-V235 VanDerWaalsContact O-N 3.07Å; D213-V235 WeakPolarHBondContact CA-O 3.42Å; D213-V235 HydrophobicContact CB-CG2 4.38Å; V235-D240 WeakPolarHBondContact CA-OD2 3.48Å; V235-D240 HydrophobicContact CB-CB 4.49Å; V235-T241 HydrophobicContact CG1-CG2 4.49Å; V235-T241 WeakPolarHBondContact CG1-OG1 3.33Å; V235-T241 WeakPolarHBondContact CG2-OG1 3.44Å
236T97.3Very high97.9Very high116 Ų11654.5 Ų54.571%0.71228%0.28SS*.SBendtrans-120.2-14.1178.453.90000113.3D240T236-D240 PolarHBondContact N-OD2 3.14Å; T236-D240 PolarHBondContact OG1-OD2 3.49Å
237S97.1Very high97.9Very high29 Ų2951.6 Ų51.620%0.20328%0.277CS..SBendtrans-165.7168.9179.367.50000110.7D239 D240 T241S237-D239 VanDerWaalsContact C-N 3.27Å; S237-D239 PolarHBondContact O-N 3.02Å; S237-D239 PolarHBondContact OG-N 3.42Å; S237-D240 WeakPolarHBondContact O-CB 3.28Å; S237-D240 PolarHBondContact O-N 2.89Å; S237-D240 PolarHBondContact OG-N 3.43Å; S237-T241 PolarHBondContact O-N 2.85Å; S237-T241 PolarHBondContact O-OG1 3.32Å; S237-T241 VanDerWaalsContact O-OG1 3.14Å
238P97.9Very high97.8Very high3 Ų354.1 Ų54.12%0.01929%0.29CS..Hα-helixtrans-53.6-41.6168.5-27.937000113.6T15 T17 D240 T241 I242T15-P238 WeakPolarHBondContact O-CA 3.45Å; T17-P238 WeakPolarHBondContact O-CG 3.22Å; P238-D240 VanDerWaalsContact C-N 3.33Å; P238-D240 PolarHBondContact O-N 3.31Å; P238-T241 WeakPolarHBondContact O-CB 3.5Å; P238-T241 PolarHBondContact O-N 3.39Å; P238-I242 WeakPolarHBondContact O-CG1 3.12Å; P238-I242 PolarHBondContact O-N 3.07Å
239D97.5Very high97.6Very high102 Ų10247.6 Ų47.655%0.54526%0.259SS..Hα-helixtrans-61.8-41.3178.5-66.3-30.1000112.5S237 I242 A243S237-D239 VanDerWaalsContact C-N 3.27Å; S237-D239 PolarHBondContact O-N 3.02Å; S237-D239 PolarHBondContact OG-N 3.42Å; D239-I242 PolarHBondContact O-N 3.08Å; D239-A243 WeakPolarHBondContact O-CB 3.43Å; D239-A243 PolarHBondContact O-N 3.37Å
240D98.3Very high97Very high40 Ų4053.7 Ų53.721%0.21429%0.288CS..Hα-helixtrans-64.3-43176-174.316000110.6V235 T236 S237 P238 I242 A243 Q244V235-D240 WeakPolarHBondContact CA-OD2 3.48Å; V235-D240 HydrophobicContact CB-CB 4.49Å; T236-D240 PolarHBondContact N-OD2 3.14Å; T236-D240 PolarHBondContact OG1-OD2 3.49Å; S237-D240 WeakPolarHBondContact O-CB 3.28Å; S237-D240 PolarHBondContact O-N 2.89Å; S237-D240 PolarHBondContact OG-N 3.43Å; P238-D240 VanDerWaalsContact C-N 3.33Å; P238-D240 PolarHBondContact O-N 3.31Å; D240-I242 PolarHBondContact O-N 3.34Å; D240-A243 PolarHBondContact O-N 2.99Å; D240-Q244 WeakPolarHBondContact O-CG 3.02Å; D240-Q244 PolarHBondContact O-N 2.9Å; D240-Q244 PolarHBondContact OD1-NE2 3.4Å
241T98.5Very high97Very high0 Ų055.6 Ų55.60%030%0.298CS..Hα-helixtrans-55.2-49.7172.6-53.20000111.5F10 T15 L16 F211 V235 S237 P238 A243 Q244 L245F10-T241 HydrophobicContact CD1-CG2 4.12Å; F10-T241 HydrophobicContact CE1-CG2 4.14Å; T15-T241 HydrophobicContact CG2-CG2 4.42Å; T15-T241 WeakPolarHBondContact O-CB 3.49Å; T15-T241 PolarHBondContact O-OG1 2.97Å; L16-T241 HydrophobicContact CD2-CG2 4.06Å; F211-T241 HydrophobicContact CB-CG2 4.33Å; F211-T241 HydrophobicContact CD1-CG2 4.11Å; F211-T241 HydrophobicContact CG-CG2 4.32Å; V235-T241 HydrophobicContact CG1-CG2 4.49Å; V235-T241 WeakPolarHBondContact CG1-OG1 3.33Å; V235-T241 WeakPolarHBondContact CG2-OG1 3.44Å; S237-T241 PolarHBondContact O-N 2.85Å; S237-T241 PolarHBondContact O-OG1 3.32Å; S237-T241 VanDerWaalsContact O-OG1 3.14Å; P238-T241 WeakPolarHBondContact O-CB 3.5Å; P238-T241 PolarHBondContact O-N 3.39Å; T241-A243 PolarHBondContact O-N 3.39Å; T241-Q244 PolarHBondContact O-N 3.38Å; T241-L245 HydrophobicContact CG2-CD1 4.13Å; T241-L245 WeakPolarHBondContact O-CB 3.4Å; T241-L245 VanDerWaalsContact O-CG 3.28Å; T241-L245 WeakPolarHBondContact O-CG 3.4Å; T241-L245 PolarHBondContact O-N 2.83Å
242I98Very high96.9Very high13 Ų1354.5 Ų54.57%0.06729%0.293CS..Hα-helixtrans-64.2-40.1179.1-63.6-61.2000111.5Y30 P238 D239 D240 L245 K246Y30-I242 HydrophobicContact CD1-CD1 3.52Å; Y30-I242 HydrophobicContact CD1-CG2 4.24Å; Y30-I242 HydrophobicContact CD2-CG2 4.49Å; Y30-I242 HydrophobicContact CE1-CD1 4.34Å; Y30-I242 HydrophobicContact CG-CD1 4.01Å; Y30-I242 HydrophobicContact CG-CG2 4.18Å; P238-I242 WeakPolarHBondContact O-CG1 3.12Å; P238-I242 PolarHBondContact O-N 3.07Å; D239-I242 PolarHBondContact O-N 3.08Å; D240-I242 PolarHBondContact O-N 3.34Å; I242-L245 HydrophobicContact CD1-CD1 4.38Å; I242-L245 PolarHBondContact O-N 3.31Å; I242-K246 HydrophobicContact CG2-CD 4.01Å; I242-K246 VanDerWaalsContact CG2-CE 3.48Å; I242-K246 HydrophobicContact CG2-CG 4.44Å; I242-K246 WeakPolarHBondContact O-CB 3.23Å; I242-K246 VanDerWaalsContact O-CG 3.29Å; I242-K246 WeakPolarHBondContact O-CG 3.42Å; I242-K246 PolarHBondContact O-N 3.22Å
243A98Very high96.8Very high56 Ų5656.2 Ų56.246%0.46330%0.296SS..Hα-helixtrans-62.6-44.7177.300000111.9D239 D240 T241 K246 A247D239-A243 WeakPolarHBondContact O-CB 3.43Å; D239-A243 PolarHBondContact O-N 3.37Å; D240-A243 PolarHBondContact O-N 2.99Å; T241-A243 PolarHBondContact O-N 3.39Å; A243-K246 PolarHBondContact O-N 3.16Å; A243-A247 PolarHBondContact O-N 2.85Å
244Q98.5Very high96.7Very high50 Ų5057.6 Ų57.623%0.23430%0.304CS..Hα-helixtrans-66.3-41.1177.3-68.3-17441.600111.9F211 R234 D240 T241 K246 A247 L248F211-Q244 HydrophobicContact CE1-CB 4.08Å; R234-Q244 PolarHBondContact O-NE2 2.7Å; D240-Q244 WeakPolarHBondContact O-CG 3.02Å; D240-Q244 PolarHBondContact O-N 2.9Å; D240-Q244 PolarHBondContact OD1-NE2 3.4Å; T241-Q244 PolarHBondContact O-N 3.38Å; Q244-K246 PolarHBondContact O-N 2.76Å; Q244-A247 WeakPolarHBondContact O-CB 3.47Å; Q244-A247 PolarHBondContact O-N 2.87Å; Q244-A247 VanDerWaalsContact O-N 3.13Å; Q244-L248 WeakPolarHBondContact O-CB 3.49Å; Q244-L248 PolarHBondContact O-N 3.45Å
245L98Very high96.6Very high0 Ų055.1 Ų55.10%030%0.3CS..Hα-helixtrans-61.4-44174.3-72.6170.6000112.5F10 Y30 L31 L34 F211 T241 I242 A247 L248 F249F10-L245 HydrophobicContact CE1-CD1 3.76Å; F10-L245 HydrophobicContact CE1-CD2 3.89Å; F10-L245 HydrophobicContact CE1-CG 4.22Å; F10-L245 HydrophobicContact CZ-CD1 3.97Å; F10-L245 HydrophobicContact CZ-CD2 3.87Å; F10-L245 HydrophobicContact CZ-CG 4.49Å; Y30-L245 HydrophobicContact CD1-CD1 4.46Å; Y30-L245 HydrophobicContact CE1-CB 3.75Å; Y30-L245 HydrophobicContact CE1-CD1 4.09Å; L31-L245 HydrophobicContact CD2-CD1 4.17Å; L34-L245 HydrophobicContact CD2-CB 4.44Å; L34-L245 HydrophobicContact CD2-CD1 4Å; L34-L245 HydrophobicContact CD2-CD2 3.85Å; L34-L245 HydrophobicContact CD2-CG 4.33Å; F211-L245 HydrophobicContact CE1-CD2 4.09Å; F211-L245 HydrophobicContact CE1-CG 4.24Å; F211-L245 HydrophobicContact CE2-CD2 3.68Å; F211-L245 HydrophobicContact CZ-CD2 3.43Å; F211-L245 VanDerWaalsContact CZ-CD2 3.43Å; F211-L245 HydrophobicContact CZ-CG 4.08Å; T241-L245 HydrophobicContact CG2-CD1 4.13Å; T241-L245 WeakPolarHBondContact O-CB 3.4Å; T241-L245 VanDerWaalsContact O-CG 3.28Å; T241-L245 WeakPolarHBondContact O-CG 3.4Å; T241-L245 PolarHBondContact O-N 2.83Å; I242-L245 HydrophobicContact CD1-CD1 4.38Å; I242-L245 PolarHBondContact O-N 3.31Å; L245-A247 PolarHBondContact O-N 3.19Å; L245-L248 PolarHBondContact O-N 3.27Å; L245-F249 HydrophobicContact CD2-CD2 4.33Å; L245-F249 HydrophobicContact CD2-CE2 4.13Å; L245-F249 PolarHBondContact O-N 2.62Å
246K96.9Very high96.5Very high96 Ų9658.6 Ų58.642%0.41732%0.319SS..Hα-helixtrans-60.6-33.9174.5-75.2171-179.6167.80111.8Y30 I242 A243 Q244 K250Y30-K246 HydrophobicContact CD2-CG 4.42Å; Y30-K246 HydrophobicContact CE1-CG 4.48Å; Y30-K246 HydrophobicContact CE2-CD 4.22Å; Y30-K246 HydrophobicContact CE2-CG 3.5Å; Y30-K246 VanDerWaalsContact CE2-CG 3.5Å; Y30-K246 WeakPolarHBondContact OH-CA 3.21Å; Y30-K246 WeakPolarHBondContact OH-CG 3.41Å; Y30-K246 PolarHBondContact OH-N 3.03Å; I242-K246 HydrophobicContact CG2-CD 4.01Å; I242-K246 VanDerWaalsContact CG2-CE 3.48Å; I242-K246 HydrophobicContact CG2-CG 4.44Å; I242-K246 WeakPolarHBondContact O-CB 3.23Å; I242-K246 VanDerWaalsContact O-CG 3.29Å; I242-K246 WeakPolarHBondContact O-CG 3.42Å; I242-K246 PolarHBondContact O-N 3.22Å; A243-K246 PolarHBondContact O-N 3.16Å; Q244-K246 PolarHBondContact O-N 2.76Å; K246-K250 WeakPolarHBondContact O-CG 3.28Å
247A97Very high96.4Very high58 Ų5854.5 Ų54.548%0.47929%0.291SS..Hα-helixtrans-74.4-38.3177.300000112.8A243 Q244 L245A243-A247 PolarHBondContact O-N 2.85Å; Q244-A247 WeakPolarHBondContact O-CB 3.47Å; Q244-A247 PolarHBondContact O-N 2.87Å; Q244-A247 VanDerWaalsContact O-N 3.13Å; L245-A247 PolarHBondContact O-N 3.19Å
248L96Very high96.3Very high68 Ų6856.5 Ų56.536%0.35630%0.298SS..Hα-helixtrans-73.6-42.9-177.9-174.960.8000112.3F211 Q244 L245F211-L248 HydrophobicContact CZ-CD2 4.19Å; Q244-L248 WeakPolarHBondContact O-CB 3.49Å; Q244-L248 PolarHBondContact O-N 3.45Å; L245-L248 PolarHBondContact O-N 3.27Å
249F93Very high96.2Very high32 Ų3260.9 Ų60.914%0.1432%0.321CS..THydrogen-bonded Turntrans-108.356.4-179.1-60.2-76.5000111.2C8 L34 R37 V38 L245C8-F249 WeakPolarHBondContact SG-CE2 3.4Å; C8-F249 WeakPolarHBondContact SG-CZ 3.48Å; L34-F249 HydrophobicContact CD1-CB 4Å; L34-F249 HydrophobicContact CD1-CD2 3.8Å; L34-F249 HydrophobicContact CD1-CG 3.92Å; L34-F249 HydrophobicContact CD2-CD2 4.5Å; R37-F249 PolarHBondContact NH1-O 2.84Å; R37-F249 PolarHBondContact NH2-O 2.73Å; R37-F249 VanDerWaalsContact NH2-O 3.15Å; V38-F249 HydrophobicContact CB-CE1 3.97Å; V38-F249 HydrophobicContact CB-CZ 4.11Å; V38-F249 HydrophobicContact CG1-CD1 4.4Å; V38-F249 HydrophobicContact CG1-CD2 4.49Å; V38-F249 HydrophobicContact CG1-CE1 3.93Å; V38-F249 HydrophobicContact CG1-CE2 4.03Å; V38-F249 HydrophobicContact CG1-CZ 3.74Å; V38-F249 HydrophobicContact CG2-CE1 4.15Å; V38-F249 HydrophobicContact CG2-CZ 4.04Å; L245-F249 HydrophobicContact CD2-CD2 4.33Å; L245-F249 HydrophobicContact CD2-CE2 4.13Å; L245-F249 PolarHBondContact O-N 2.62Å
250K84.9Confident96.1Very high216 Ų21657.2 Ų57.294%0.93930%0.301SS*.  trans-63.80171.7-73-177.4-179.7178.40112.7R37 K246R37-K250 PolarHBondContact NH2-O 2.87Å; K246-K250 WeakPolarHBondContact O-CG 3.28Å

Retrieved 250 of 250 residues in 147.1 ms (Link to these results)

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