G4VLR0_SCHMA 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 G4VLR0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 245 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.4Very low89.9Confident243 Ų24361.7 Ų61.7100%1.19731%0.314SS*.  0141.90-65.1-178.9-164.500107.3
2S75.6Confident90.4Very high111 Ų11159.3 Ų59.378%0.77630%0.303SS*.  trans-63.2137.1170.549.90000109K4S2-K4 PolarHBondContact O-N 2.7Å
3K81.9Confident90.9Very high161 Ų16155.3 Ų55.370%0.729%0.285SS*.  trans-58132.2176-70.8-175.1175.6-174.20109.8V5 D198K3-V5 PolarHBondContact O-N 3.45Å; K3-D198 VanDerWaalsContact CA-OD2 3.28Å; K3-D198 WeakPolarHBondContact CA-OD2 3.49Å; K3-D198 HydrophobicContact CB-CB 4.13Å; K3-D198 HydrophobicContact CG-CB 4.39Å
4K93.5Very high91.4Very high120 Ų12051.4 Ų51.452%0.52227%0.265SS..  trans-79.9113.7174.3-73.1178.4175.6-179.20109.2S2 D196 Y197 D198 T199S2-K4 PolarHBondContact O-N 2.7Å; K4-D196 WeakPolarHBondContact CD-O 3.47Å; K4-Y197 HydrophobicContact CB-CD1 4.01Å; K4-D198 PolarHBondContact N-OD2 3.06Å; K4-D198 PolarHBondContact O-N 3.23Å; K4-T199 PolarHBondContact O-N 3.18Å
5V97.1Very high91.9Very high38 Ų3848 Ų4823%0.2325%0.247CC..EExtended strand (participates in β ladder)trans-107.9139.3179.3-175.70000109.3K3 P38 T199 F241K3-V5 PolarHBondContact O-N 3.45Å; V5-P38 WeakPolarHBondContact O-CD 3.39Å; V5-T199 WeakPolarHBondContact CA-O 3.17Å; V5-F241 HydrophobicContact CG1-CE1 4.48Å; V5-F241 HydrophobicContact CG1-CZ 4.19Å
6I98.3Very high92.3Very high0 Ų045.1 Ų45.10%023%0.233CC..EExtended strand (participates in β ladder)trans-129.8143.5169.1-171.9170000110P38 A40 P63 Y64 L194 Y197 T199 I200 H201I6-P38 WeakPolarHBondContact CA-O 3.19Å; I6-P38 HydrophobicContact CB-CB 4.27Å; I6-P38 HydrophobicContact CD1-CB 4.4Å; I6-P38 HydrophobicContact CG1-CB 3.98Å; I6-P38 WeakPolarHBondContact CG1-O 3.44Å; I6-A40 HydrophobicContact CD1-CB 3.77Å; I6-A40 HydrophobicContact CG1-CB 4.37Å; I6-P63 HydrophobicContact CD1-CG 4.45Å; I6-Y64 HydrophobicContact CD1-CD2 4.39Å; I6-L194 HydrophobicContact CD1-CD2 3.8Å; I6-Y197 HydrophobicContact CB-CD1 3.6Å; I6-Y197 HydrophobicContact CB-CD2 4.32Å; I6-Y197 HydrophobicContact CB-CE1 3.73Å; I6-Y197 HydrophobicContact CB-CE2 4.43Å; I6-Y197 HydrophobicContact CB-CG 3.91Å; I6-Y197 HydrophobicContact CD1-CD2 4.34Å; I6-Y197 HydrophobicContact CD1-CE1 4.23Å; I6-Y197 HydrophobicContact CD1-CE2 3.83Å; I6-Y197 HydrophobicContact CG1-CE1 4.39Å; I6-Y197 HydrophobicContact CG2-CD1 3.82Å; I6-Y197 HydrophobicContact CG2-CD2 3.93Å; I6-Y197 HydrophobicContact CG2-CE1 4.34Å; I6-Y197 HydrophobicContact CG2-CE2 4.44Å; I6-Y197 HydrophobicContact CG2-CG 3.59Å; I6-T199 PolarHBondContact N-O 3.32Å; I6-I200 HydrophobicContact CG2-CB 4.26Å; I6-I200 HydrophobicContact CG2-CG1 3.86Å; I6-I200 HydrophobicContact CG2-CG2 4.21Å; I6-H201 PolarHBondContact O-N 3.48Å
7C98.7Very high92.5Very high0 Ų050.2 Ų50.20%025%0.253CS..EExtended strand (participates in β ladder)trans-102.5127.2167.6-60.70000109.9F9 P38 L39 A40 H201 F203 F241C7-F9 HydrophobicContact CB-CE1 4.23Å; C7-F9 HydrophobicContact CB-CE2 3.55Å; C7-F9 HydrophobicContact CB-CZ 3.34Å; C7-P38 PolarHBondContact N-O 3.34Å; C7-L39 HydrophobicContact CB-CD2 3.83Å; C7-L39 CarbonylContact O-C 3.55Å; C7-L39 WeakPolarHBondContact O-CA 3.43Å; C7-A40 PolarHBondContact O-N 2.78Å; C7-H201 CarbonylContact C-O 3.47Å; C7-H201 WeakPolarHBondContact CA-O 3.33Å; C7-F203 HydrophobicContact CB-CE2 4.07Å; C7-F241 WeakPolarHBondContact SG-CE2 3.37Å
8L98.8Very high92.5Very high0 Ų052.2 Ų52.20%027%0.269CS..EExtended strand (participates in β ladder)trans-113.5129.4178.9-178.965.2000109A40 V42 F66 L191 L194 I200 H201 F202 F203 I216L8-A40 CarbonylContact C-O 3.5Å; L8-A40 WeakPolarHBondContact CA-O 3.35Å; L8-A40 HydrophobicContact CD1-CB 3.75Å; L8-V42 HydrophobicContact CD1-CB 4Å; L8-V42 HydrophobicContact CD1-CG1 3.88Å; L8-V42 HydrophobicContact CD2-CG1 3.93Å; L8-V42 HydrophobicContact CG-CB 4.44Å; L8-V42 HydrophobicContact CG-CG1 3.78Å; L8-F66 HydrophobicContact CD1-CD2 3.95Å; L8-F66 HydrophobicContact CD1-CE2 4.2Å; L8-L191 HydrophobicContact CD2-CD2 4.33Å; L8-L194 HydrophobicContact CD2-CD1 4.16Å; L8-I200 HydrophobicContact CB-CG2 4.28Å; L8-H201 PolarHBondContact N-O 3.02Å; L8-F202 HydrophobicContact CB-CD2 4.29Å; L8-F202 HydrophobicContact CD2-CD2 3.98Å; L8-F202 HydrophobicContact CG-CD2 3.96Å; L8-F202 CarbonylContact O-C 3.51Å; L8-F202 VanDerWaalsContact O-CA 3.3Å; L8-F202 WeakPolarHBondContact O-CA 3.47Å; L8-F203 PolarHBondContact O-N 3.37Å; L8-I216 HydrophobicContact CD2-CD1 3.6Å
9F98.8Very high92.3Very high0 Ų060.9 Ų60.90%030%0.299CS..EExtended strand (participates in β ladder)trans-121.7139.6-174.1-53.3-85.5000111.8C7 T14 L15 L39 A40 V41 V42 F203 T233 L237C7-F9 HydrophobicContact CB-CE1 4.23Å; C7-F9 HydrophobicContact CB-CE2 3.55Å; C7-F9 HydrophobicContact CB-CZ 3.34Å; F9-T14 HydrophobicContact CB-CG2 4.22Å; F9-T14 HydrophobicContact CD1-CG2 4.46Å; F9-L15 HydrophobicContact CB-CD1 3.79Å; F9-L15 HydrophobicContact CB-CD2 3.97Å; F9-L15 HydrophobicContact CB-CG 3.81Å; F9-L15 HydrophobicContact CD1-CD2 3.77Å; F9-L15 HydrophobicContact CD2-CD1 4.48Å; F9-L15 HydrophobicContact CD2-CD2 4.45Å; F9-L15 HydrophobicContact CE1-CD2 4.43Å; F9-L15 HydrophobicContact CG-CD1 4.2Å; F9-L15 HydrophobicContact CG-CD2 3.81Å; F9-L15 HydrophobicContact CG-CG 4.2Å; F9-L39 HydrophobicContact CE2-CB 4.03Å; F9-L39 HydrophobicContact CE2-CD1 4.43Å; F9-L39 HydrophobicContact CE2-CD2 3.89Å; F9-L39 HydrophobicContact CE2-CG 4.31Å; F9-L39 HydrophobicContact CZ-CD2 4.14Å; F9-A40 VanDerWaalsContact CD2-O 3.25Å; F9-A40 WeakPolarHBondContact CD2-O 3.47Å; F9-A40 PolarHBondContact N-O 3.15Å; F9-V41 CarbonylContact O-C 3.54Å; F9-V41 WeakPolarHBondContact O-CA 3.25Å; F9-V42 PolarHBondContact O-N 3.42Å; F9-F203 HydrophobicContact CD1-CB 3.71Å; F9-F203 AromaticContact CD1-CD2 3.68Å; F9-F203 HydrophobicContact CD1-CD2 3.68Å; F9-F203 AromaticContact CD1-CG 3.87Å; F9-F203 HydrophobicContact CD1-CG 3.87Å; F9-F203 HydrophobicContact CE1-CB 4.19Å; F9-F203 AromaticContact CE1-CD2 3.38Å; F9-F203 HydrophobicContact CE1-CD2 3.38Å; F9-F203 AromaticContact CE1-CE2 3.85Å; F9-F203 HydrophobicContact CE1-CE2 3.85Å; F9-F203 AromaticContact CE1-CG 3.82Å; F9-F203 HydrophobicContact CE1-CG 3.82Å; F9-F203 HydrophobicContact CZ-CD2 4.18Å; F9-F203 HydrophobicContact CZ-CE2 4.34Å; F9-T233 HydrophobicContact CD1-CG2 4.03Å; F9-T233 HydrophobicContact CE1-CG2 3.98Å; F9-L237 HydrophobicContact CE1-CD1 3.79Å; F9-L237 HydrophobicContact CE1-CD2 3.99Å; F9-L237 HydrophobicContact CE1-CG 4.27Å; F9-L237 HydrophobicContact CZ-CD1 3.89Å; F9-L237 HydrophobicContact CZ-CD2 3.85Å; F9-L237 HydrophobicContact CZ-CG 4.45Å
10D98.3Very high92.5Very high6 Ų662.3 Ų62.33%0.03231%0.307CS..  trans-65.3169.3149.9177.457.8000111.2D12 T14 L15 K187 F203D10-D12 PolarHBondContact OD2-N 2.93Å; D10-T14 HydrophobicContact CB-CG2 4.37Å; D10-T14 WeakPolarHBondContact O-CB 3.46Å; D10-T14 VanDerWaalsContact O-CG2 3.27Å; D10-T14 WeakPolarHBondContact O-CG2 3.43Å; D10-T14 PolarHBondContact OD2-OG1 3.28Å; D10-L15 WeakPolarHBondContact O-CG 3.29Å; D10-K187 IonicContact OD1-NZ 3.41Å; D10-K187 PolarHBondContact OD1-NZ 3.41Å; D10-F203 PolarHBondContact N-O 3.42Å
11V98Very high92.7Very high0 Ų065 Ų650%032%0.322CS..THydrogen-bonded Turntrans-103.4-56-179.5-1770000113.1L15 T16 V41 V50 Q53 I54V11-L15 PolarHBondContact O-N 3.06Å; V11-T16 HydrophobicContact CG1-CG2 4.22Å; V11-T16 PolarHBondContact O-N 3.31Å; V11-T16 PolarHBondContact O-OG1 3.16Å; V11-V41 HydrophobicContact CG2-CG1 3.3Å; V11-V50 HydrophobicContact CG2-CG1 4.33Å; V11-Q53 HydrophobicContact CG1-CB 3.99Å; V11-I54 HydrophobicContact CG1-CG2 4.11Å; V11-I54 HydrophobicContact CG2-CG2 4.43Å
12D96.4Very high95Very high33 Ų3354.2 Ų54.218%0.17627%0.269CS..BIsolated β-bridgetrans-87.4117.6-166.4-82.6-43.5000109.2D10 T14 R19 K49 Q53D10-D12 PolarHBondContact OD2-N 2.93Å; D12-T14 PolarHBondContact O-N 3.44Å; D12-R19 PolarHBondContact OD1-N 3.17Å; D12-K49 IonicContact OD2-NZ 3.02Å; D12-Q53 PolarHBondContact OD1-NE2 3.35Å
13G96.6Very high96.1Very high7 Ų751.7 Ų51.77%0.07225%0.251CS..THydrogen-bonded Turntrans85.3-17.1-172.300000113.5T16G13-T16 CarbonylContact C-O 3.59Å; G13-T16 VanDerWaalsContact CA-O 3.28Å; G13-T16 WeakPolarHBondContact CA-O 3.21Å; G13-T16 PolarHBondContact N-O 3.19Å
14T98.5Very high96.8Very high0 Ų051.3 Ų51.30%026%0.257CS..THydrogen-bonded Turntrans-100.6-76.5178.6-60.20000111.9F9 D10 D12 F203 G204 D205 V227 P230 T233F9-T14 HydrophobicContact CB-CG2 4.22Å; F9-T14 HydrophobicContact CD1-CG2 4.46Å; D10-T14 HydrophobicContact CB-CG2 4.37Å; D10-T14 WeakPolarHBondContact O-CB 3.46Å; D10-T14 VanDerWaalsContact O-CG2 3.27Å; D10-T14 WeakPolarHBondContact O-CG2 3.43Å; D10-T14 PolarHBondContact OD2-OG1 3.28Å; D12-T14 PolarHBondContact O-N 3.44Å; T14-F203 HydrophobicContact CG2-CB 4.14Å; T14-G204 WeakPolarHBondContact OG1-CA 3.37Å; T14-D205 PolarHBondContact OG1-N 3.26Å; T14-V227 HydrophobicContact CG2-CG2 3.89Å; T14-P230 WeakPolarHBondContact O-CA 3.41Å; T14-T233 HydrophobicContact CG2-CG2 4.49Å; T14-T233 PolarHBondContact O-OG1 2.9Å; T14-T233 VanDerWaalsContact O-OG1 3.12Å
15L98.5Very high97Very high1 Ų151.4 Ų51.41%0.00526%0.259CS..THydrogen-bonded Turntrans-83.9-22.3178.3-64.3-175.9000113F9 D10 V11 L30 V41 I54 T233F9-L15 HydrophobicContact CB-CD1 3.79Å; F9-L15 HydrophobicContact CB-CD2 3.97Å; F9-L15 HydrophobicContact CB-CG 3.81Å; F9-L15 HydrophobicContact CD1-CD2 3.77Å; F9-L15 HydrophobicContact CD2-CD1 4.48Å; F9-L15 HydrophobicContact CD2-CD2 4.45Å; F9-L15 HydrophobicContact CE1-CD2 4.43Å; F9-L15 HydrophobicContact CG-CD1 4.2Å; F9-L15 HydrophobicContact CG-CD2 3.81Å; F9-L15 HydrophobicContact CG-CG 4.2Å; D10-L15 WeakPolarHBondContact O-CG 3.29Å; V11-L15 PolarHBondContact O-N 3.06Å; L15-L30 HydrophobicContact CD1-CD1 4.24Å; L15-L30 HydrophobicContact CD2-CD1 3.89Å; L15-L30 HydrophobicContact CD2-CD2 4.41Å; L15-V41 HydrophobicContact CD1-CG2 3.8Å; L15-I54 HydrophobicContact CD1-CG2 4.25Å; L15-T233 HydrophobicContact CD2-CG2 4.28Å
16T97.7Very high97.1Very high2 Ų249.8 Ų49.81%0.01225%0.249CC..BIsolated β-bridgetrans-133.5160.1-175.967.90000110.2V11 G13 N20 I22 Q53V11-T16 HydrophobicContact CG1-CG2 4.22Å; V11-T16 PolarHBondContact O-N 3.31Å; V11-T16 PolarHBondContact O-OG1 3.16Å; G13-T16 CarbonylContact C-O 3.59Å; G13-T16 VanDerWaalsContact CA-O 3.28Å; G13-T16 WeakPolarHBondContact CA-O 3.21Å; G13-T16 PolarHBondContact N-O 3.19Å; T16-N20 WeakPolarHBondContact CB-O 3.41Å; T16-I22 HydrophobicContact CG2-CB 3.9Å; T16-I22 HydrophobicContact CG2-CG1 4.42Å; T16-Q53 HydrophobicContact CG2-CB 4.45Å
17K96.1Very high97Very high132 Ų13251 Ų5157%0.57426%0.257SS*.SBendtrans-64.5149.9160.7-65.9180-177.6177.20108.5R19 N20K17-R19 PolarHBondContact O-N 3.17Å; K17-N20 HydrophobicContact CB-CB 4.1Å; K17-N20 WeakPolarHBondContact O-CB 3.38Å; K17-N20 PolarHBondContact O-N 3.2Å
18P92.4Very high97Very high85 Ų8553 Ų5355%0.55228%0.278SS*.THydrogen-bonded Turntrans-49.3126.8-177.9-29.335.2000112.7N20P18-N20 PolarHBondContact O-N 3.02Å; P18-N20 VanDerWaalsContact O-N 3.16Å; P18-N20 PolarHBondContact O-ND2 3.26Å
19R89.1Confident96.9Very high218 Ų21854 Ų5482%0.82328%0.282SS*.THydrogen-bonded Turntrans59.916.6-179.9-52.4-178.5178.8-178.50.5115.5D12 K17D12-R19 PolarHBondContact OD1-N 3.17Å; K17-R19 PolarHBondContact O-N 3.17Å
20N95.5Very high96.9Very high88 Ų8854.1 Ų54.147%0.47128%0.283SS..PPolyproline II helixtrans-103.1165.9176.3-76.1-103.6000111T16 K17 P18 Q53T16-N20 WeakPolarHBondContact CB-O 3.41Å; K17-N20 HydrophobicContact CB-CB 4.1Å; K17-N20 WeakPolarHBondContact O-CB 3.38Å; K17-N20 PolarHBondContact O-N 3.2Å; P18-N20 PolarHBondContact O-N 3.02Å; P18-N20 VanDerWaalsContact O-N 3.16Å; P18-N20 PolarHBondContact O-ND2 3.26Å; N20-Q53 WeakPolarHBondContact O-CG 3.36Å; N20-Q53 PolarHBondContact O-NE2 2.9Å
21I97.4Very high96.8Very high121 Ų12155.5 Ų55.562%0.62129%0.29SS*.PPolyproline II helixtrans-79.7148.6168.9-57.2174.1000108.3
22I98Very high96.8Very high15 Ų1560.8 Ų60.88%0.07731%0.313CS..PPolyproline II helixtrans-55.3142.7173.6-162.3166.1000110.7T16 M26 L30 Q53T16-I22 HydrophobicContact CG2-CB 3.9Å; T16-I22 HydrophobicContact CG2-CG1 4.42Å; I22-M26 HydrophobicContact CD1-CB 4.37Å; I22-M26 HydrophobicContact CD1-CG 3.81Å; I22-M26 HydrophobicContact CG1-CB 3.88Å; I22-M26 HydrophobicContact CG1-CG 3.75Å; I22-L30 HydrophobicContact CD1-CD1 3.76Å; I22-Q53 VanDerWaalsContact CB-O 3.29Å; I22-Q53 WeakPolarHBondContact CB-O 3.33Å; I22-Q53 VanDerWaalsContact CG2-O 3.28Å; I22-Q53 WeakPolarHBondContact CG2-O 3.24Å; I22-Q53 PolarHBondContact N-O 2.93Å
23S97.9Very high96.8Very high59 Ų5959.3 Ų59.341%0.41331%0.305SS..PPolyproline II helixtrans-72.8150.9174.467.20000110.6H25 M26 S27S23-H25 PolarHBondContact O-N 3.36Å; S23-M26 PolarHBondContact O-N 3.47Å; S23-M26 VanDerWaalsContact O-N 3.17Å; S23-M26 WeakPolarHBondContact OG-CB 3.4Å; S23-M26 PolarHBondContact OG-N 2.86Å; S23-S27 WeakPolarHBondContact O-CB 3.41Å; S23-S27 PolarHBondContact O-N 3.35Å
24D97.7Very high96.8Very high153 Ų15360 Ų6082%0.81831%0.309SS*.Hα-helixtrans-55.3-37.4175.4-64.8-23.1000111.8G28D24-G28 PolarHBondContact O-N 3.43Å
25H97.7Very high96.7Very high122 Ų12264.1 Ų64.157%0.56534%0.338SS*.Hα-helixtrans-61-54.4176.3-179.4-92000112S23 S27 G28 F29 E234S23-H25 PolarHBondContact O-N 3.36Å; H25-S27 VanDerWaalsContact C-N 3.35Å; H25-S27 PolarHBondContact O-N 3.49Å; H25-G28 PolarHBondContact O-N 3.29Å; H25-F29 WeakPolarHBondContact O-CB 3.48Å; H25-F29 PolarHBondContact O-N 3.16Å; H25-E234 IonicContact CE1-OE1 3.26Å; H25-E234 PolarHBondContact CE1-OE1 3.48Å; H25-E234 VanDerWaalsContact CE1-OE1 3.26Å; H25-E234 IonicContact CE1-OE2 3.02Å; H25-E234 PolarHBondContact CE1-OE2 2.89Å; H25-E234 IonicContact ND1-OE2 3.56Å; H25-E234 PolarHBondContact ND1-OE2 3.15Å
26M97.9Very high96.5Very high3 Ų368.1 Ų68.12%0.01536%0.359CS..Hα-helixtrans-64.2-42.3-179.9177.358.477.700110.8I22 S23 G28 F29 L30 P230 E234I22-M26 HydrophobicContact CD1-CB 4.37Å; I22-M26 HydrophobicContact CD1-CG 3.81Å; I22-M26 HydrophobicContact CG1-CB 3.88Å; I22-M26 HydrophobicContact CG1-CG 3.75Å; S23-M26 PolarHBondContact O-N 3.47Å; S23-M26 VanDerWaalsContact O-N 3.17Å; S23-M26 WeakPolarHBondContact OG-CB 3.4Å; S23-M26 PolarHBondContact OG-N 2.86Å; M26-G28 PolarHBondContact O-N 3.27Å; M26-F29 PolarHBondContact O-N 2.93Å; M26-F29 HydrophobicContact SD-CD1 4.05Å; M26-L30 HydrophobicContact CG-CD1 4.06Å; M26-L30 HydrophobicContact CG-CG 4.32Å; M26-L30 WeakPolarHBondContact O-CG 3.31Å; M26-L30 PolarHBondContact O-N 3.14Å; M26-L30 HydrophobicContact SD-CD1 4.07Å; M26-L30 HydrophobicContact SD-CD2 4.12Å; M26-L30 HydrophobicContact SD-CG 3.83Å; M26-P230 VanDerWaalsContact CE-C 3.48Å; M26-P230 HydrophobicContact CE-CB 3.81Å; M26-P230 WeakPolarHBondContact CE-O 3.4Å; M26-E234 HydrophobicContact CE-CB 3.81Å
27S97.9Very high96.5Very high26 Ų2668.3 Ų68.318%0.18236%0.36CS..Hα-helixtrans-58.2-49.2176.1-171.20000111.5S23 H25 F29 L30 L31S23-S27 WeakPolarHBondContact O-CB 3.41Å; S23-S27 PolarHBondContact O-N 3.35Å; H25-S27 VanDerWaalsContact C-N 3.35Å; H25-S27 PolarHBondContact O-N 3.49Å; S27-F29 VanDerWaalsContact C-N 3.35Å; S27-F29 PolarHBondContact O-N 3.3Å; S27-L30 PolarHBondContact O-N 2.88Å; S27-L31 WeakPolarHBondContact O-CB 3.4Å; S27-L31 WeakPolarHBondContact O-CG 3.3Å; S27-L31 PolarHBondContact O-N 2.91Å
28G97.4Very high96.5Very high42 Ų4264.2 Ų64.243%0.43335%0.347SS..Hα-helixtrans-60.7-41.4176.600000113.1D24 H25 M26 K32D24-G28 PolarHBondContact O-N 3.43Å; H25-G28 PolarHBondContact O-N 3.29Å; M26-G28 PolarHBondContact O-N 3.27Å; G28-K32 PolarHBondContact O-N 2.95Å
29F97.8Very high96.8Very high21 Ų2160.1 Ų60.19%0.09232%0.321CS..Hα-helixtrans-60.8-50.9175.4172-102.5000112.1H25 M26 S27 L31 K32 L33 E234 L237 K238 C245H25-F29 WeakPolarHBondContact O-CB 3.48Å; H25-F29 PolarHBondContact O-N 3.16Å; M26-F29 PolarHBondContact O-N 2.93Å; M26-F29 HydrophobicContact SD-CD1 4.05Å; S27-F29 VanDerWaalsContact C-N 3.35Å; S27-F29 PolarHBondContact O-N 3.3Å; F29-L31 PolarHBondContact O-N 3.44Å; F29-K32 WeakPolarHBondContact O-CB 3.37Å; F29-K32 PolarHBondContact O-N 2.83Å; F29-L33 HydrophobicContact CE1-CD2 4.19Å; F29-L33 HydrophobicContact CZ-CD2 4.17Å; F29-L33 PolarHBondContact O-N 3.22Å; F29-E234 HydrophobicContact CD1-CG 3.86Å; F29-E234 HydrophobicContact CD2-CG 4.21Å; F29-E234 HydrophobicContact CE1-CB 4.33Å; F29-E234 HydrophobicContact CE1-CG 3.76Å; F29-E234 HydrophobicContact CE2-CG 4.12Å; F29-E234 HydrophobicContact CG-CG 4.09Å; F29-E234 HydrophobicContact CZ-CG 3.89Å; F29-L237 HydrophobicContact CE1-CB 4.05Å; F29-L237 HydrophobicContact CE1-CD1 3.75Å; F29-L237 HydrophobicContact CZ-CB 3.96Å; F29-L237 HydrophobicContact CZ-CD1 4.48Å; F29-K238 HydrophobicContact CE2-CG 4.09Å; F29-K238 HydrophobicContact CZ-CG 4.19Å; F29-C245 HydrophobicContact CE2-CB 4.4Å
30L98.1Very high97.3Very high3 Ų349.8 Ų49.82%0.01628%0.282CS..Hα-helixtrans-64.7-38.7-179.9-64.7175.1000112.1L15 I22 M26 S27 K32 L33 C34 L39 F62 L237L15-L30 HydrophobicContact CD1-CD1 4.24Å; L15-L30 HydrophobicContact CD2-CD1 3.89Å; L15-L30 HydrophobicContact CD2-CD2 4.41Å; I22-L30 HydrophobicContact CD1-CD1 3.76Å; M26-L30 HydrophobicContact CG-CD1 4.06Å; M26-L30 HydrophobicContact CG-CG 4.32Å; M26-L30 WeakPolarHBondContact O-CG 3.31Å; M26-L30 PolarHBondContact O-N 3.14Å; M26-L30 HydrophobicContact SD-CD1 4.07Å; M26-L30 HydrophobicContact SD-CD2 4.12Å; M26-L30 HydrophobicContact SD-CG 3.83Å; S27-L30 PolarHBondContact O-N 2.88Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 2.99Å; L30-L33 PolarHBondContact O-N 3.34Å; L30-C34 VanDerWaalsContact O-CB 3.3Å; L30-C34 WeakPolarHBondContact O-CB 3.44Å; L30-C34 PolarHBondContact O-N 3.01Å; L30-L39 HydrophobicContact CB-CD1 4.14Å; L30-L39 HydrophobicContact CD2-CD1 4.05Å; L30-L39 WeakPolarHBondContact O-CD1 3.14Å; L30-F62 HydrophobicContact CB-CZ 4.2Å; L30-L237 HydrophobicContact CD2-CD1 4.09Å
31L97Very high97.4Very high35 Ų3545.6 Ų45.618%0.18326%0.259CS..Hα-helixtrans-66.9-31.1177.2-71.5171000112.8S27 F29 C34 L57 K61S27-L31 WeakPolarHBondContact O-CB 3.4Å; S27-L31 WeakPolarHBondContact O-CG 3.3Å; S27-L31 PolarHBondContact O-N 2.91Å; F29-L31 PolarHBondContact O-N 3.44Å; L31-C34 PolarHBondContact O-SG 3.3Å; L31-L57 HydrophobicContact CD1-CD2 3.6Å; L31-L57 HydrophobicContact CD1-CG 4.13Å; L31-L57 HydrophobicContact CD2-CD2 4.19Å; L31-L57 HydrophobicContact CD2-CG 3.87Å; L31-K61 HydrophobicContact CD2-CB 4.37Å; L31-K61 HydrophobicContact CD2-CG 4.09Å
32K96.9Very high97.5Very high111 Ų11139.8 Ų39.848%0.48323%0.23SC..Hα-helixtrans-69.9-50.1170.2-177.7-173.6172.9-168.80110.4G28 F29 L30 C34 S35 C245G28-K32 PolarHBondContact O-N 2.95Å; F29-K32 WeakPolarHBondContact O-CB 3.37Å; F29-K32 PolarHBondContact O-N 2.83Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 2.99Å; K32-C34 VanDerWaalsContact C-N 3.34Å; K32-C34 PolarHBondContact O-N 2.66Å; K32-S35 WeakPolarHBondContact O-CB 3.38Å; K32-S35 PolarHBondContact O-N 2.91Å; K32-C245 PolarHBondContact NZ-OXT 3.07Å
33L97.5Very high97.4Very high1 Ų139.3 Ų39.31%0.00523%0.227CC..Hα-helixtrans-63.2-38.4-176.9-17761.5000112.4F29 L30 S35 N36 V37 L39 L237 F241F29-L33 HydrophobicContact CE1-CD2 4.19Å; F29-L33 HydrophobicContact CZ-CD2 4.17Å; F29-L33 PolarHBondContact O-N 3.22Å; L30-L33 PolarHBondContact O-N 3.34Å; L33-S35 PolarHBondContact O-N 3.26Å; L33-N36 PolarHBondContact O-N 2.87Å; L33-V37 HydrophobicContact CD1-CB 4.4Å; L33-V37 HydrophobicContact CD1-CG2 4.11Å; L33-V37 HydrophobicContact CG-CB 4.49Å; L33-V37 PolarHBondContact O-N 3.18Å; L33-L39 HydrophobicContact CB-CD1 4.48Å; L33-L39 HydrophobicContact CD2-CD2 4.24Å; L33-L39 HydrophobicContact CG-CD2 4.39Å; L33-L237 HydrophobicContact CD2-CB 4.2Å; L33-L237 HydrophobicContact CD2-CD1 4.07Å; L33-L237 HydrophobicContact CD2-CD2 4.09Å; L33-L237 HydrophobicContact CD2-CG 4.36Å; L33-F241 HydrophobicContact CD1-CB 4.31Å; L33-F241 HydrophobicContact CD1-CD2 4.42Å
34C96.7Very high97.1Very high22 Ų2238.7 Ų38.715%0.14923%0.231CC..THydrogen-bonded Turntrans-64-14-177.282.90000114.1L30 L31 K32 N36 V37 L39 F62L30-C34 VanDerWaalsContact O-CB 3.3Å; L30-C34 WeakPolarHBondContact O-CB 3.44Å; L30-C34 PolarHBondContact O-N 3.01Å; L31-C34 PolarHBondContact O-SG 3.3Å; K32-C34 VanDerWaalsContact C-N 3.34Å; K32-C34 PolarHBondContact O-N 2.66Å; C34-N36 VanDerWaalsContact C-N 3.27Å; C34-V37 VanDerWaalsContact CA-O 3.31Å; C34-V37 WeakPolarHBondContact CA-O 3.2Å; C34-L39 HydrophobicContact CB-CB 4.42Å; C34-L39 HydrophobicContact CB-CD1 3.73Å; C34-L39 HydrophobicContact CB-CG 3.83Å; C34-F62 HydrophobicContact CB-CD1 4.15Å; C34-F62 HydrophobicContact CB-CE1 3.85Å
35S95.2Very high96.9Very high86 Ų8632.4 Ų32.460%0.60120%0.198SC*.THydrogen-bonded Turntrans-74.9-18.3174-57.90000112.8K32 L33K32-S35 WeakPolarHBondContact O-CB 3.38Å; K32-S35 PolarHBondContact O-N 2.91Å; L33-S35 PolarHBondContact O-N 3.26Å
36N95.7Very high96.7Very high85 Ų8530 Ų3046%0.45519%0.19SC..THydrogen-bonded Turntrans-116.5-33.2-179-59.6-75.3000112.4L33 C34 Y244L33-N36 PolarHBondContact O-N 2.87Å; C34-N36 VanDerWaalsContact C-N 3.27Å; N36-Y244 HydrophobicContact CB-CD1 3.49Å; N36-Y244 VanDerWaalsContact CB-CD1 3.49Å; N36-Y244 HydrophobicContact CB-CD2 3.75Å; N36-Y244 HydrophobicContact CB-CE1 3.74Å; N36-Y244 HydrophobicContact CB-CE2 4.03Å; N36-Y244 HydrophobicContact CB-CG 3.53Å; N36-Y244 VanDerWaalsContact CG-CD1 3.41Å
37V96.2Very high96.6Very high6 Ų632 Ų324%0.03620%0.199CC..SBendtrans-126.2121.2-177.7-176.90000109.5L33 C34 L39 F241 Y244L33-V37 HydrophobicContact CD1-CB 4.4Å; L33-V37 HydrophobicContact CD1-CG2 4.11Å; L33-V37 HydrophobicContact CG-CB 4.49Å; L33-V37 PolarHBondContact O-N 3.18Å; C34-V37 VanDerWaalsContact CA-O 3.31Å; C34-V37 WeakPolarHBondContact CA-O 3.2Å; V37-L39 HydrophobicContact CB-CD2 4.42Å; V37-L39 HydrophobicContact CG1-CD2 4.27Å; V37-L39 WeakPolarHBondContact O-CD2 3.31Å; V37-L39 WeakPolarHBondContact O-CG 3.39Å; V37-L39 PolarHBondContact O-N 3.25Å; V37-F241 HydrophobicContact CG1-CE1 4.23Å; V37-F241 HydrophobicContact CG1-CE2 4.09Å; V37-F241 HydrophobicContact CG1-CZ 3.79Å; V37-F241 HydrophobicContact CG2-CD1 3.83Å; V37-F241 HydrophobicContact CG2-CD2 4.31Å; V37-F241 HydrophobicContact CG2-CE1 3.89Å; V37-F241 HydrophobicContact CG2-CE2 4.36Å; V37-F241 HydrophobicContact CG2-CG 4.05Å; V37-F241 HydrophobicContact CG2-CZ 4.16Å; V37-Y244 HydrophobicContact CG2-CD2 3.69Å; V37-Y244 HydrophobicContact CG2-CE2 3.85Å
38P97.6Very high96.5Very high46 Ų4638.3 Ų38.330%0.29923%0.225SC..  trans-51.6127.5171.3-29.837.4000112V5 I6 C7 P63 Y197V5-P38 WeakPolarHBondContact O-CD 3.39Å; I6-P38 WeakPolarHBondContact CA-O 3.19Å; I6-P38 HydrophobicContact CB-CB 4.27Å; I6-P38 HydrophobicContact CD1-CB 4.4Å; I6-P38 HydrophobicContact CG1-CB 3.98Å; I6-P38 WeakPolarHBondContact CG1-O 3.44Å; C7-P38 PolarHBondContact N-O 3.34Å; P38-P63 HydrophobicContact CB-CG 4.14Å; P38-Y197 HydrophobicContact CB-CE1 4Å; P38-Y197 HydrophobicContact CG-CE1 4.08Å
39L98.6Very high96.4Very high0 Ų039.8 Ų39.80%022%0.22CC..EExtended strand (participates in β ladder)trans-117.6140.2177.9-52.7-172.2000109.9C7 F9 L30 L33 C34 V37 F62 P63C7-L39 HydrophobicContact CB-CD2 3.83Å; C7-L39 CarbonylContact O-C 3.55Å; C7-L39 WeakPolarHBondContact O-CA 3.43Å; F9-L39 HydrophobicContact CE2-CB 4.03Å; F9-L39 HydrophobicContact CE2-CD1 4.43Å; F9-L39 HydrophobicContact CE2-CD2 3.89Å; F9-L39 HydrophobicContact CE2-CG 4.31Å; F9-L39 HydrophobicContact CZ-CD2 4.14Å; L30-L39 HydrophobicContact CB-CD1 4.14Å; L30-L39 HydrophobicContact CD2-CD1 4.05Å; L30-L39 WeakPolarHBondContact O-CD1 3.14Å; L33-L39 HydrophobicContact CB-CD1 4.48Å; L33-L39 HydrophobicContact CD2-CD2 4.24Å; L33-L39 HydrophobicContact CG-CD2 4.39Å; C34-L39 HydrophobicContact CB-CB 4.42Å; C34-L39 HydrophobicContact CB-CD1 3.73Å; C34-L39 HydrophobicContact CB-CG 3.83Å; V37-L39 HydrophobicContact CB-CD2 4.42Å; V37-L39 HydrophobicContact CG1-CD2 4.27Å; V37-L39 WeakPolarHBondContact O-CD2 3.31Å; V37-L39 WeakPolarHBondContact O-CG 3.39Å; V37-L39 PolarHBondContact O-N 3.25Å; L39-F62 HydrophobicContact CB-CD1 3.93Å; L39-F62 HydrophobicContact CB-CD2 4.26Å; L39-F62 HydrophobicContact CB-CE1 3.83Å; L39-F62 HydrophobicContact CB-CE2 4.15Å; L39-F62 HydrophobicContact CB-CG 4.18Å; L39-F62 HydrophobicContact CB-CZ 3.94Å; L39-F62 HydrophobicContact CD1-CE1 3.87Å; L39-F62 HydrophobicContact CD1-CZ 3.89Å; L39-F62 HydrophobicContact CG-CE1 4.34Å; L39-F62 WeakPolarHBondContact O-CB 3.34Å; L39-F62 WeakPolarHBondContact O-CG 3.42Å; L39-P63 WeakPolarHBondContact O-CD 3.24Å
40A98.7Very high96.4Very high0 Ų038.8 Ų38.80%022%0.215CC..EExtended strand (participates in β ladder)trans-139.1157.5177.300000111.1I6 C7 L8 F9 Y64 F66I6-A40 HydrophobicContact CD1-CB 3.77Å; I6-A40 HydrophobicContact CG1-CB 4.37Å; C7-A40 PolarHBondContact O-N 2.78Å; L8-A40 CarbonylContact C-O 3.5Å; L8-A40 WeakPolarHBondContact CA-O 3.35Å; L8-A40 HydrophobicContact CD1-CB 3.75Å; F9-A40 VanDerWaalsContact CD2-O 3.25Å; F9-A40 WeakPolarHBondContact CD2-O 3.47Å; F9-A40 PolarHBondContact N-O 3.15Å; A40-Y64 WeakPolarHBondContact CA-O 3.2Å; A40-Y64 WeakPolarHBondContact CB-O 3.45Å; A40-F66 HydrophobicContact CB-CE2 4.38Å
41V98.7Very high96.4Very high0 Ų039.5 Ų39.50%022%0.22CC..EExtended strand (participates in β ladder)trans-122.7140.6179.3169.60000110.1F9 V11 L15 V50 I54 F62 Y64 I65 F66F9-V41 CarbonylContact O-C 3.54Å; F9-V41 WeakPolarHBondContact O-CA 3.25Å; V11-V41 HydrophobicContact CG2-CG1 3.3Å; L15-V41 HydrophobicContact CD1-CG2 3.8Å; V41-V50 HydrophobicContact CG1-CG1 3.96Å; V41-I54 HydrophobicContact CB-CD1 4.48Å; V41-I54 HydrophobicContact CG2-CD1 3.97Å; V41-F62 HydrophobicContact CG2-CD2 4.09Å; V41-F62 HydrophobicContact CG2-CE2 4.05Å; V41-Y64 PolarHBondContact N-O 3.4Å; V41-Y64 VanDerWaalsContact N-O 3.09Å; V41-I65 HydrophobicContact CB-CD1 3.96Å; V41-I65 HydrophobicContact CG2-CD1 4.25Å; V41-F66 WeakPolarHBondContact O-CA 3.16Å; V41-F66 WeakPolarHBondContact O-CB 3.41Å; V41-F66 WeakPolarHBondContact O-CD2 3.39Å; V41-F66 PolarHBondContact O-N 2.88Å
42V98.6Very high96.4Very high0 Ų041.1 Ų41.10%024%0.235CC..EExtended strand (participates in β ladder)trans-127.6124.5169.760.20000111.3L8 F9 F66 K187 C190 F202 I216L8-V42 HydrophobicContact CD1-CB 4Å; L8-V42 HydrophobicContact CD1-CG1 3.88Å; L8-V42 HydrophobicContact CD2-CG1 3.93Å; L8-V42 HydrophobicContact CG-CB 4.44Å; L8-V42 HydrophobicContact CG-CG1 3.78Å; F9-V42 PolarHBondContact O-N 3.42Å; V42-F66 CarbonylContact C-O 3.53Å; V42-F66 VanDerWaalsContact CA-O 3.32Å; V42-F66 WeakPolarHBondContact CA-O 3.37Å; V42-F66 HydrophobicContact CB-CB 4Å; V42-F66 HydrophobicContact CB-CD2 4.48Å; V42-F66 HydrophobicContact CG2-CB 4Å; V42-K187 HydrophobicContact CG1-CD 4.13Å; V42-K187 HydrophobicContact CG2-CB 3.98Å; V42-K187 HydrophobicContact CG2-CD 4.2Å; V42-K187 HydrophobicContact CG2-CG 3.9Å; V42-K187 PolarHBondContact O-NZ 3.47Å; V42-C190 HydrophobicContact CG2-CB 4.27Å; V42-F202 HydrophobicContact CG1-CD2 4.38Å; V42-F202 HydrophobicContact CG1-CE2 3.81Å; V42-I216 HydrophobicContact CG1-CD1 4.22Å
43S96.2Very high96.4Very high4 Ų436.1 Ų36.13%0.02821%0.213CC..  trans-141.3148.3-179.2-172.70000111.2S45 F66 S67 E68 N69S43-S45 PolarHBondContact O-N 2.81Å; S43-S45 PolarHBondContact OG-N 3.26Å; S43-S45 PolarHBondContact OG-OG 3.21Å; S43-F66 PolarHBondContact N-O 3.17Å; S43-S67 CarbonylContact O-C 3.28Å; S43-E68 PolarHBondContact O-N 2.99Å; S43-N69 PolarHBondContact O-N 3.02Å
44G92.3Very high96.4Very high47 Ų4736.1 Ų36.149%0.48521%0.213SC..SBendtrans-73.1-8.5168.500000114N69G44-N69 WeakPolarHBondContact CA-OD1 3.5Å; G44-N69 PolarHBondContact N-OD1 2.95Å
45S92.5Very high96.4Very high20 Ų2036.3 Ų36.314%0.1422%0.219CC..SBendtrans-78.9159.2177.4-56.80000112S43 K49 S67 E68S43-S45 PolarHBondContact O-N 2.81Å; S43-S45 PolarHBondContact OG-N 3.26Å; S43-S45 PolarHBondContact OG-OG 3.21Å; S45-K49 PolarHBondContact OG-NZ 3.07Å; S45-S67 WeakPolarHBondContact O-CA 3.48Å; S45-S67 VanDerWaalsContact O-CB 3.24Å; S45-S67 WeakPolarHBondContact O-CB 3.28Å; S45-E68 PolarHBondContact O-N 2.93Å
46D93.8Very high96.3Very high73 Ų7336.2 Ų36.239%0.3922%0.215SC..  trans-65.4162.5169.565.461.8000112.1Q48 K49 V50D46-Q48 VanDerWaalsContact C-N 3.29Å; D46-Q48 PolarHBondContact O-N 3.41Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.43Å; D46-Q48 PolarHBondContact OD1-N 3.26Å; D46-K49 PolarHBondContact O-N 2.9Å; D46-K49 PolarHBondContact OD1-N 2.62Å; D46-V50 WeakPolarHBondContact O-CG2 3.19Å; D46-V50 PolarHBondContact O-N 3.22Å
47F96.1Very high96.2Very high45 Ų4536.5 Ų36.520%0.19722%0.216CC..Hα-helixtrans-61-34.8-177.3178-103.7000113.5V50 S51 T59 I65 H74F47-V50 PolarHBondContact O-N 3.49Å; F47-S51 WeakPolarHBondContact O-CB 3.18Å; F47-S51 PolarHBondContact O-N 3.46Å; F47-T59 HydrophobicContact CE2-CG2 4.15Å; F47-T59 HydrophobicContact CZ-CG2 4.3Å; F47-I65 HydrophobicContact CD2-CB 4.43Å; F47-I65 HydrophobicContact CD2-CG2 3.87Å; F47-I65 HydrophobicContact CE2-CB 4.17Å; F47-I65 HydrophobicContact CE2-CG1 4.48Å; F47-I65 HydrophobicContact CE2-CG2 3.95Å; F47-H74 VanDerWaalsContact CB-CE1 3.46Å; F47-H74 WeakPolarHBondContact CB-CE1 3.29Å; F47-H74 AromaticContact CD1-CE1 3.82Å; F47-H74 AromaticContact CD1-NE2 3.55Å; F47-H74 HydrophobicContact CD2-CB 4.33Å; F47-H74 AromaticContact CD2-CD2 3.79Å; F47-H74 AromaticContact CD2-CE1 3.37Å; F47-H74 WeakPolarHBondContact CD2-CE1 3.21Å; F47-H74 AromaticContact CD2-CG 3.57Å; F47-H74 AromaticContact CD2-ND1 3.29Å; F47-H74 VanDerWaalsContact CD2-ND1 3.29Å; F47-H74 WeakPolarHBondContact CD2-ND1 3.38Å; F47-H74 AromaticContact CD2-NE2 3.71Å; F47-H74 AromaticContact CE1-CD2 3.93Å; F47-H74 AromaticContact CE1-NE2 3.84Å; F47-H74 HydrophobicContact CE2-CB 3.95Å; F47-H74 AromaticContact CE2-CD2 3.63Å; F47-H74 AromaticContact CE2-CG 3.51Å; F47-H74 AromaticContact CE2-ND1 3.77Å; F47-H74 AromaticContact CE2-NE2 3.99Å; F47-H74 AromaticContact CG-CE1 3.25Å; F47-H74 WeakPolarHBondContact CG-CE1 3.36Å; F47-H74 AromaticContact CG-ND1 3.7Å; F47-H74 AromaticContact CG-NE2 3.47Å; F47-H74 WeakPolarHBondContact CG-NE2 3.46Å; F47-H74 AromaticContact CZ-CD2 3.7Å
48Q95.9Very high96.2Very high157 Ų15736.4 Ų36.473%0.73422%0.216SC*.Hα-helixtrans-65.7-44.7-178.6-66.2177.3-14.600110.3D46 S51 S52D46-Q48 VanDerWaalsContact C-N 3.29Å; D46-Q48 PolarHBondContact O-N 3.41Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.43Å; D46-Q48 PolarHBondContact OD1-N 3.26Å; Q48-S51 PolarHBondContact O-N 3.46Å; Q48-S52 WeakPolarHBondContact O-CB 3.39Å; Q48-S52 PolarHBondContact O-N 3.27Å
49K95.1Very high96.2Very high73 Ų7334.4 Ų34.432%0.31720%0.202SC..Hα-helixtrans-61.4-49.3174.1-179.9168.7173.6-125.60111.1D12 S45 D46 S51 S52 Q53D12-K49 IonicContact OD2-NZ 3.02Å; S45-K49 PolarHBondContact OG-NZ 3.07Å; D46-K49 PolarHBondContact O-N 2.9Å; D46-K49 PolarHBondContact OD1-N 2.62Å; K49-S51 PolarHBondContact O-N 2.78Å; K49-S52 PolarHBondContact O-N 2.87Å; K49-S52 PolarHBondContact O-OG 3.1Å; K49-Q53 WeakPolarHBondContact O-CG 3.45Å; K49-Q53 PolarHBondContact O-N 3.37Å; K49-Q53 VanDerWaalsContact O-N 3.1Å
50V97.4Very high96.1Very high0 Ų039.5 Ų39.50%023%0.227CC..Hα-helixtrans-57.6-51.1177.9176.10000110.9V11 V41 D46 F47 S52 Q53 I54 I65V11-V50 HydrophobicContact CG2-CG1 4.33Å; V41-V50 HydrophobicContact CG1-CG1 3.96Å; D46-V50 WeakPolarHBondContact O-CG2 3.19Å; D46-V50 PolarHBondContact O-N 3.22Å; F47-V50 PolarHBondContact O-N 3.49Å; V50-S52 VanDerWaalsContact C-N 3.31Å; V50-S52 PolarHBondContact O-N 2.98Å; V50-Q53 PolarHBondContact O-N 3.02Å; V50-I54 HydrophobicContact CG1-CD1 4.14Å; V50-I54 HydrophobicContact CG1-CG1 4.33Å; V50-I54 WeakPolarHBondContact O-CG1 3.34Å; V50-I54 PolarHBondContact O-N 3.27Å; V50-I65 HydrophobicContact CG1-CG2 3.74Å
51S97.4Very high96.1Very high18 Ų1844.3 Ų44.313%0.12625%0.247CC..Hα-helixtrans-59.4-40.1179.8-173.60000112.1F47 Q48 K49 Q53 G55F47-S51 WeakPolarHBondContact O-CB 3.18Å; F47-S51 PolarHBondContact O-N 3.46Å; Q48-S51 PolarHBondContact O-N 3.46Å; K49-S51 PolarHBondContact O-N 2.78Å; S51-Q53 VanDerWaalsContact C-N 3.28Å; S51-Q53 PolarHBondContact O-N 2.71Å; S51-G55 CarbonylContact O-C 3.48Å; S51-G55 VanDerWaalsContact O-CA 3.24Å; S51-G55 WeakPolarHBondContact O-CA 3.42Å; S51-G55 PolarHBondContact O-N 3.49Å
52S97.2Very high96Very high69 Ų6944.4 Ų44.448%0.48325%0.248SC..Hα-helixtrans-63.2-32.817578.70000113.4Q48 K49 V50Q48-S52 WeakPolarHBondContact O-CB 3.39Å; Q48-S52 PolarHBondContact O-N 3.27Å; K49-S52 PolarHBondContact O-N 2.87Å; K49-S52 PolarHBondContact O-OG 3.1Å; V50-S52 VanDerWaalsContact C-N 3.31Å; V50-S52 PolarHBondContact O-N 2.98Å
53Q97.9Very high96Very high6 Ų644.7 Ų44.73%0.02825%0.25CC..Hα-helixtrans-82.2-45.2-177.3-71.3-172.6-9600112V11 D12 T16 N20 I22 K49 V50 S51V11-Q53 HydrophobicContact CG1-CB 3.99Å; D12-Q53 PolarHBondContact OD1-NE2 3.35Å; T16-Q53 HydrophobicContact CG2-CB 4.45Å; N20-Q53 WeakPolarHBondContact O-CG 3.36Å; N20-Q53 PolarHBondContact O-NE2 2.9Å; I22-Q53 VanDerWaalsContact CB-O 3.29Å; I22-Q53 WeakPolarHBondContact CB-O 3.33Å; I22-Q53 VanDerWaalsContact CG2-O 3.28Å; I22-Q53 WeakPolarHBondContact CG2-O 3.24Å; I22-Q53 PolarHBondContact N-O 2.93Å; K49-Q53 WeakPolarHBondContact O-CG 3.45Å; K49-Q53 PolarHBondContact O-N 3.37Å; K49-Q53 VanDerWaalsContact O-N 3.1Å; V50-Q53 PolarHBondContact O-N 3.02Å; S51-Q53 VanDerWaalsContact C-N 3.28Å; S51-Q53 PolarHBondContact O-N 2.71Å
54I97.4Very high96.1Very high2 Ų246.2 Ų46.21%0.0126%0.255CS..Hα-helixtrans-93.6-10.8-175.970.6168.2000113.8V11 L15 V41 V50 A58 T59 I65V11-I54 HydrophobicContact CG1-CG2 4.11Å; V11-I54 HydrophobicContact CG2-CG2 4.43Å; L15-I54 HydrophobicContact CD1-CG2 4.25Å; V41-I54 HydrophobicContact CB-CD1 4.48Å; V41-I54 HydrophobicContact CG2-CD1 3.97Å; V50-I54 HydrophobicContact CG1-CD1 4.14Å; V50-I54 HydrophobicContact CG1-CG1 4.33Å; V50-I54 WeakPolarHBondContact O-CG1 3.34Å; V50-I54 PolarHBondContact O-N 3.27Å; I54-A58 HydrophobicContact CD1-CB 4.2Å; I54-A58 HydrophobicContact CG1-CB 4.28Å; I54-A58 WeakPolarHBondContact O-CB 3.46Å; I54-T59 HydrophobicContact CD1-CG2 3.86Å; I54-T59 HydrophobicContact CG1-CG2 3.96Å; I54-I65 HydrophobicContact CD1-CD1 3.67Å
55G95.5Very high96.4Very high26 Ų2644 Ų4427%0.26823%0.232SC..  trans87.1145.1-17900000113.8S51 L57 A58 T59S51-G55 CarbonylContact O-C 3.48Å; S51-G55 VanDerWaalsContact O-CA 3.24Å; S51-G55 WeakPolarHBondContact O-CA 3.42Å; S51-G55 PolarHBondContact O-N 3.49Å; G55-L57 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 2.8Å; G55-A58 PolarHBondContact O-N 2.98Å; G55-T59 PolarHBondContact O-N 3.32Å
56T93.5Very high96.7Very high84 Ų8443.1 Ų43.152%0.51523%0.226SC..Hα-helixtrans-57.4-40.9-178.5-51.30000112.6A58 T59 E60T56-A58 VanDerWaalsContact C-N 3.31Å; T56-A58 PolarHBondContact O-N 3Å; T56-T59 WeakPolarHBondContact CA-OG1 3.28Å; T56-T59 PolarHBondContact O-N 3.02Å; T56-T59 VanDerWaalsContact O-N 3.07Å; T56-T59 PolarHBondContact O-OG1 2.96Å; T56-E60 HydrophobicContact CG2-CG 4.43Å; T56-E60 WeakPolarHBondContact O-CG 3.42Å; T56-E60 PolarHBondContact O-N 3.46Å
57L94.8Very high96.8Very high90 Ų9039.7 Ų39.747%0.47121%0.207SC..Hα-helixtrans-62.4-38.1-179.3-175.659.2000112.3L31 G55 E60 K61L31-L57 HydrophobicContact CD1-CD2 3.6Å; L31-L57 HydrophobicContact CD1-CG 4.13Å; L31-L57 HydrophobicContact CD2-CD2 4.19Å; L31-L57 HydrophobicContact CD2-CG 3.87Å; G55-L57 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 2.8Å; L57-E60 PolarHBondContact O-N 3.09Å; L57-K61 HydrophobicContact CD1-CG 4.2Å; L57-K61 HydrophobicContact CG-CG 4.47Å; L57-K61 WeakPolarHBondContact O-CB 3.47Å; L57-K61 WeakPolarHBondContact O-CG 3.25Å; L57-K61 PolarHBondContact O-N 2.78Å
58A96Very high96.7Very high5 Ų539.1 Ų39.14%0.04121%0.205CC..Hα-helixtrans-65.5-43.6173.700000110.7I54 G55 T56 E60 K61 F62I54-A58 HydrophobicContact CD1-CB 4.2Å; I54-A58 HydrophobicContact CG1-CB 4.28Å; I54-A58 WeakPolarHBondContact O-CB 3.46Å; G55-A58 PolarHBondContact O-N 2.98Å; T56-A58 VanDerWaalsContact C-N 3.31Å; T56-A58 PolarHBondContact O-N 3Å; A58-E60 PolarHBondContact O-N 3.46Å; A58-K61 PolarHBondContact O-N 2.92Å; A58-F62 HydrophobicContact CB-CE1 4.31Å; A58-F62 HydrophobicContact CB-CE2 4.19Å; A58-F62 HydrophobicContact CB-CZ 4.03Å; A58-F62 VanDerWaalsContact O-CB 3.31Å; A58-F62 WeakPolarHBondContact O-CB 3.49Å; A58-F62 WeakPolarHBondContact O-CD1 3.47Å; A58-F62 WeakPolarHBondContact O-CG 3.28Å; A58-F62 PolarHBondContact O-N 3.35Å
59T95.9Very high96.7Very high3 Ų333.2 Ų33.22%0.01818%0.179CC..Hα-helixtrans-61.8-30.3178.359.60000114F47 I54 G55 T56 I65 Y76 G77F47-T59 HydrophobicContact CE2-CG2 4.15Å; F47-T59 HydrophobicContact CZ-CG2 4.3Å; I54-T59 HydrophobicContact CD1-CG2 3.86Å; I54-T59 HydrophobicContact CG1-CG2 3.96Å; G55-T59 PolarHBondContact O-N 3.32Å; T56-T59 WeakPolarHBondContact CA-OG1 3.28Å; T56-T59 PolarHBondContact O-N 3.02Å; T56-T59 VanDerWaalsContact O-N 3.07Å; T56-T59 PolarHBondContact O-OG1 2.96Å; T59-I65 HydrophobicContact CG2-CD1 4.29Å; T59-I65 HydrophobicContact CG2-CG1 4.1Å; T59-Y76 CarbonylContact O-C 3.47Å; T59-G77 WeakPolarHBondContact O-CA 3.32Å; T59-G77 PolarHBondContact O-N 3.16Å
60E97.4Very high96.7Very high108 Ų10829.8 Ų29.851%0.50516%0.164SC..Hα-helixtrans-83.2-28.6177.7-69.4173.9173.500112.9T56 L57 A58 Y76T56-E60 HydrophobicContact CG2-CG 4.43Å; T56-E60 WeakPolarHBondContact O-CG 3.42Å; T56-E60 PolarHBondContact O-N 3.46Å; L57-E60 PolarHBondContact O-N 3.09Å; A58-E60 PolarHBondContact O-N 3.46Å; E60-Y76 WeakPolarHBondContact O-CA 3.37Å; E60-Y76 WeakPolarHBondContact O-CB 3.47Å; E60-Y76 WeakPolarHBondContact O-CD1 3.43Å
61K97.8Very high96.7Very high101 Ų10130 Ų3044%0.43917%0.165SC..Hα-helixtrans-85.9-30-179.7-74.3-99.9-179.4173.50113.2L31 L57 A58 Y76L31-K61 HydrophobicContact CD2-CB 4.37Å; L31-K61 HydrophobicContact CD2-CG 4.09Å; L57-K61 HydrophobicContact CD1-CG 4.2Å; L57-K61 HydrophobicContact CG-CG 4.47Å; L57-K61 WeakPolarHBondContact O-CB 3.47Å; L57-K61 WeakPolarHBondContact O-CG 3.25Å; L57-K61 PolarHBondContact O-N 2.78Å; A58-K61 PolarHBondContact O-N 2.92Å; K61-Y76 WeakPolarHBondContact O-CE1 3.29Å
62F98.1Very high96.6Very high1 Ų129.3 Ų29.30%0.00416%0.16CC..SBendtrans-80.2130.4-175.9-71.16.5000110L30 C34 L39 V41 A58 Y64 I65 Y76L30-F62 HydrophobicContact CB-CZ 4.2Å; C34-F62 HydrophobicContact CB-CD1 4.15Å; C34-F62 HydrophobicContact CB-CE1 3.85Å; L39-F62 HydrophobicContact CB-CD1 3.93Å; L39-F62 HydrophobicContact CB-CD2 4.26Å; L39-F62 HydrophobicContact CB-CE1 3.83Å; L39-F62 HydrophobicContact CB-CE2 4.15Å; L39-F62 HydrophobicContact CB-CG 4.18Å; L39-F62 HydrophobicContact CB-CZ 3.94Å; L39-F62 HydrophobicContact CD1-CE1 3.87Å; L39-F62 HydrophobicContact CD1-CZ 3.89Å; L39-F62 HydrophobicContact CG-CE1 4.34Å; L39-F62 WeakPolarHBondContact O-CB 3.34Å; L39-F62 WeakPolarHBondContact O-CG 3.42Å; V41-F62 HydrophobicContact CG2-CD2 4.09Å; V41-F62 HydrophobicContact CG2-CE2 4.05Å; A58-F62 HydrophobicContact CB-CE1 4.31Å; A58-F62 HydrophobicContact CB-CE2 4.19Å; A58-F62 HydrophobicContact CB-CZ 4.03Å; A58-F62 VanDerWaalsContact O-CB 3.31Å; A58-F62 WeakPolarHBondContact O-CB 3.49Å; A58-F62 WeakPolarHBondContact O-CD1 3.47Å; A58-F62 WeakPolarHBondContact O-CG 3.28Å; A58-F62 PolarHBondContact O-N 3.35Å; F62-Y64 PolarHBondContact O-N 3.09Å; F62-Y64 VanDerWaalsContact O-N 3.15Å; F62-I65 HydrophobicContact CB-CD1 4Å; F62-I65 HydrophobicContact CD2-CD1 3.91Å; F62-I65 HydrophobicContact CG-CD1 4.44Å; F62-Y76 PolarHBondContact O-N 2.87Å
63P97.7Very high96.7Very high7 Ų726 Ų265%0.04514%0.137CC..SBendtrans-56.9-29.2176.619.6-35.1000113.3I6 P38 L39 N75 Y76I6-P63 HydrophobicContact CD1-CG 4.45Å; P38-P63 HydrophobicContact CB-CG 4.14Å; L39-P63 WeakPolarHBondContact O-CD 3.24Å; P63-N75 VanDerWaalsContact O-CA 3.24Å; P63-N75 WeakPolarHBondContact O-CA 3.4Å; P63-N75 PolarHBondContact O-ND2 2.86Å; P63-Y76 HydrophobicContact CB-CE1 4.15Å; P63-Y76 HydrophobicContact CB-CE2 4.23Å
64Y98.4Very high96.7Very high36 Ų3626.4 Ų26.414%0.14114%0.139CC..EExtended strand (participates in β ladder)trans-142.1131.8179-62.7-69.5000113.6I6 A40 V41 F62 F66 V73 H74 N75 L194 Y197I6-Y64 HydrophobicContact CD1-CD2 4.39Å; A40-Y64 WeakPolarHBondContact CA-O 3.2Å; A40-Y64 WeakPolarHBondContact CB-O 3.45Å; V41-Y64 PolarHBondContact N-O 3.4Å; V41-Y64 VanDerWaalsContact N-O 3.09Å; F62-Y64 PolarHBondContact O-N 3.09Å; F62-Y64 VanDerWaalsContact O-N 3.15Å; Y64-F66 VanDerWaalsContact CB-CZ 3.41Å; Y64-F66 HydrophobicContact CD1-CE1 4.07Å; Y64-F66 AromaticContact CD1-CZ 3.83Å; Y64-F66 HydrophobicContact CD1-CZ 3.83Å; Y64-F66 HydrophobicContact CD2-CE2 4.43Å; Y64-F66 HydrophobicContact CD2-CZ 4.07Å; Y64-F66 HydrophobicContact CG-CE1 4.17Å; Y64-F66 AromaticContact CG-CE2 3.94Å; Y64-F66 HydrophobicContact CG-CE2 3.94Å; Y64-F66 AromaticContact CG-CZ 3.5Å; Y64-F66 HydrophobicContact CG-CZ 3.5Å; Y64-F66 VanDerWaalsContact CG-CZ 3.5Å; Y64-V73 HydrophobicContact CD1-CG1 4.04Å; Y64-H74 WeakPolarHBondContact CA-O 2.9Å; Y64-N75 HydrophobicContact CE1-CB 4.49Å; Y64-L194 HydrophobicContact CD2-CD2 3.5Å; Y64-L194 HydrophobicContact CE2-CD2 3.71Å; Y64-L194 HydrophobicContact CG-CD2 4.36Å; Y64-Y197 HydrophobicContact CE2-CE2 4.16Å
65I98.5Very high96.7Very high1 Ų128.4 Ų28.41%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-119110.1162.1-52.8-64.4000107.8V41 F47 V50 I54 T59 F62 H74V41-I65 HydrophobicContact CB-CD1 3.96Å; V41-I65 HydrophobicContact CG2-CD1 4.25Å; F47-I65 HydrophobicContact CD2-CB 4.43Å; F47-I65 HydrophobicContact CD2-CG2 3.87Å; F47-I65 HydrophobicContact CE2-CB 4.17Å; F47-I65 HydrophobicContact CE2-CG1 4.48Å; F47-I65 HydrophobicContact CE2-CG2 3.95Å; V50-I65 HydrophobicContact CG1-CG2 3.74Å; I54-I65 HydrophobicContact CD1-CD1 3.67Å; T59-I65 HydrophobicContact CG2-CD1 4.29Å; T59-I65 HydrophobicContact CG2-CG1 4.1Å; F62-I65 HydrophobicContact CB-CD1 4Å; F62-I65 HydrophobicContact CD2-CD1 3.91Å; F62-I65 HydrophobicContact CG-CD1 4.44Å; I65-H74 HydrophobicContact CB-CB 4.24Å; I65-H74 PolarHBondContact N-O 2.76Å; I65-H74 PolarHBondContact O-N 3.35Å
66F98.4Very high96.8Very high1 Ų133.4 Ų33.40%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-98.291.1179.8-60.7-65.4000109.6L8 A40 V41 V42 S43 Y64 V73 C190 F193 L194L8-F66 HydrophobicContact CD1-CD2 3.95Å; L8-F66 HydrophobicContact CD1-CE2 4.2Å; A40-F66 HydrophobicContact CB-CE2 4.38Å; V41-F66 WeakPolarHBondContact O-CA 3.16Å; V41-F66 WeakPolarHBondContact O-CB 3.41Å; V41-F66 WeakPolarHBondContact O-CD2 3.39Å; V41-F66 PolarHBondContact O-N 2.88Å; V42-F66 CarbonylContact C-O 3.53Å; V42-F66 VanDerWaalsContact CA-O 3.32Å; V42-F66 WeakPolarHBondContact CA-O 3.37Å; V42-F66 HydrophobicContact CB-CB 4Å; V42-F66 HydrophobicContact CB-CD2 4.48Å; V42-F66 HydrophobicContact CG2-CB 4Å; S43-F66 PolarHBondContact N-O 3.17Å; Y64-F66 VanDerWaalsContact CB-CZ 3.41Å; Y64-F66 HydrophobicContact CD1-CE1 4.07Å; Y64-F66 AromaticContact CD1-CZ 3.83Å; Y64-F66 HydrophobicContact CD1-CZ 3.83Å; Y64-F66 HydrophobicContact CD2-CE2 4.43Å; Y64-F66 HydrophobicContact CD2-CZ 4.07Å; Y64-F66 HydrophobicContact CG-CE1 4.17Å; Y64-F66 AromaticContact CG-CE2 3.94Å; Y64-F66 HydrophobicContact CG-CE2 3.94Å; Y64-F66 AromaticContact CG-CZ 3.5Å; Y64-F66 HydrophobicContact CG-CZ 3.5Å; Y64-F66 VanDerWaalsContact CG-CZ 3.5Å; F66-V73 HydrophobicContact CD1-CB 4.44Å; F66-V73 HydrophobicContact CD1-CG1 3.96Å; F66-V73 HydrophobicContact CD1-CG2 4.05Å; F66-V73 HydrophobicContact CE1-CG1 3.7Å; F66-V73 HydrophobicContact CE1-CG2 4.22Å; F66-C190 HydrophobicContact CB-CB 3.88Å; F66-C190 HydrophobicContact CD1-CB 3.69Å; F66-C190 HydrophobicContact CD2-CB 3.63Å; F66-C190 HydrophobicContact CE1-CB 4.05Å; F66-C190 HydrophobicContact CE2-CB 3.98Å; F66-C190 HydrophobicContact CG-CB 3.46Å; F66-C190 VanDerWaalsContact CG-CB 3.46Å; F66-C190 HydrophobicContact CZ-CB 4.18Å; F66-F193 HydrophobicContact CD1-CD2 4.27Å; F66-F193 HydrophobicContact CE1-CB 3.74Å; F66-F193 AromaticContact CE1-CD2 3.63Å; F66-F193 HydrophobicContact CE1-CD2 3.63Å; F66-F193 AromaticContact CE1-CG 3.94Å; F66-F193 HydrophobicContact CE1-CG 3.94Å; F66-F193 HydrophobicContact CZ-CB 3.85Å; F66-F193 HydrophobicContact CZ-CD2 4.42Å; F66-L194 HydrophobicContact CE2-CD1 4.22Å; F66-L194 HydrophobicContact CE2-CD2 4.05Å; F66-L194 HydrophobicContact CE2-CG 4.23Å; F66-L194 HydrophobicContact CZ-CD2 3.95Å; F66-L194 HydrophobicContact CZ-CG 4.18Å
67S96.7Very high96.9Very high0 Ų030.7 Ų30.70%015%0.15CC..EExtended strand (participates in β ladder)trans-86.7161.5171.746.40000111S43 S45 N69 G70 L71 V72S43-S67 CarbonylContact O-C 3.28Å; S45-S67 WeakPolarHBondContact O-CA 3.48Å; S45-S67 VanDerWaalsContact O-CB 3.24Å; S45-S67 WeakPolarHBondContact O-CB 3.28Å; S67-N69 VanDerWaalsContact C-N 3.28Å; S67-N69 PolarHBondContact O-N 3.32Å; S67-G70 PolarHBondContact O-N 2.71Å; S67-L71 PolarHBondContact O-N 3.15Å; S67-V72 PolarHBondContact N-O 3Å; S67-V72 PolarHBondContact O-N 3.01Å; S67-V72 VanDerWaalsContact O-N 3.13Å; S67-V72 WeakPolarHBondContact OG-CB 3.27Å; S67-V72 WeakPolarHBondContact OG-CG1 3.33Å; S67-V72 PolarHBondContact OG-O 3.32Å
68E94.7Very high97Very high34 Ų3433 Ų3316%0.15916%0.158CC..G310 helixtrans50.349.7-176.8-58.3179.8-125.100111.3S43 S45 G70 L71 V72 N122S43-E68 PolarHBondContact O-N 2.99Å; S45-E68 PolarHBondContact O-N 2.93Å; E68-G70 PolarHBondContact O-N 3.35Å; E68-L71 HydrophobicContact CB-CB 4.32Å; E68-L71 VanDerWaalsContact O-CB 3.26Å; E68-L71 WeakPolarHBondContact O-CB 3.38Å; E68-L71 WeakPolarHBondContact O-CD1 3.45Å; E68-L71 VanDerWaalsContact O-CG 3.25Å; E68-L71 WeakPolarHBondContact O-CG 3.49Å; E68-L71 PolarHBondContact O-N 3.27Å; E68-L71 VanDerWaalsContact O-N 3.08Å; E68-V72 HydrophobicContact CB-CG2 4.49Å; E68-V72 HydrophobicContact CG-CG2 4.46Å; E68-V72 WeakPolarHBondContact OE1-CG2 3.4Å; E68-N122 PolarHBondContact OE1-ND2 3.07Å; E68-N122 VanDerWaalsContact OE2-CB 3.3Å; E68-N122 WeakPolarHBondContact OE2-CB 3.28Å; E68-N122 PolarHBondContact OE2-ND2 3.24Å
69N94.4Very high97.1Very high33 Ų3337.9 Ų37.918%0.17618%0.178CC..G310 helixtrans58.723.7-177.3-61.5-27.1000114.8S43 G44 S67 W185S43-N69 PolarHBondContact O-N 3.02Å; G44-N69 WeakPolarHBondContact CA-OD1 3.5Å; G44-N69 PolarHBondContact N-OD1 2.95Å; S67-N69 VanDerWaalsContact C-N 3.28Å; S67-N69 PolarHBondContact O-N 3.32Å; N69-W185 WeakPolarHBondContact CB-O 3.5Å; N69-W185 PolarHBondContact ND2-O 3.26Å
70G96.4Very high97.1Very high0 Ų042.1 Ų42.10%020%0.2CC..G310 helixtrans91.75.4-178.200000114.7S67 E68 V73 Y189S67-G70 PolarHBondContact O-N 2.71Å; E68-G70 PolarHBondContact O-N 3.35Å; G70-V73 WeakPolarHBondContact O-CG2 3.34Å; G70-Y189 WeakPolarHBondContact O-CD1 3.41Å
71L95.8Very high97Very high5 Ų540.9 Ų40.93%0.02619%0.193CC..THydrogen-bonded Turntrans-73.6-22.3172.3-61.8159000111.3S67 E68 S82 T83 W185 Y189S67-L71 PolarHBondContact O-N 3.15Å; E68-L71 HydrophobicContact CB-CB 4.32Å; E68-L71 VanDerWaalsContact O-CB 3.26Å; E68-L71 WeakPolarHBondContact O-CB 3.38Å; E68-L71 WeakPolarHBondContact O-CD1 3.45Å; E68-L71 VanDerWaalsContact O-CG 3.25Å; E68-L71 WeakPolarHBondContact O-CG 3.49Å; E68-L71 PolarHBondContact O-N 3.27Å; E68-L71 VanDerWaalsContact O-N 3.08Å; L71-S82 CarbonylContact O-C 3.51Å; L71-S82 WeakPolarHBondContact O-CA 3.3Å; L71-T83 HydrophobicContact CD2-CG2 4.02Å; L71-T83 PolarHBondContact O-N 2.92Å; L71-W185 HydrophobicContact CD1-CB 4.28Å; L71-W185 HydrophobicContact CD1-CD2 4.25Å; L71-W185 HydrophobicContact CD1-CE3 3.66Å; L71-W185 HydrophobicContact CD1-CZ3 4.36Å; L71-W185 HydrophobicContact CD2-CB 4.41Å; L71-W185 HydrophobicContact CD2-CD2 3.47Å; L71-W185 VanDerWaalsContact CD2-CD2 3.47Å; L71-W185 HydrophobicContact CD2-CE3 3.43Å; L71-W185 VanDerWaalsContact CD2-CE3 3.43Å; L71-W185 HydrophobicContact CD2-CG 3.95Å; L71-W185 HydrophobicContact CD2-CH2 4.29Å; L71-W185 HydrophobicContact CD2-CZ2 4.32Å; L71-W185 HydrophobicContact CD2-CZ3 3.88Å; L71-W185 HydrophobicContact CG-CD2 4.49Å; L71-W185 HydrophobicContact CG-CE3 4.2Å; L71-Y189 HydrophobicContact CD2-CD1 3.89Å; L71-Y189 HydrophobicContact CD2-CD2 4.29Å; L71-Y189 HydrophobicContact CD2-CE1 3.71Å; L71-Y189 HydrophobicContact CD2-CE2 4.13Å; L71-Y189 HydrophobicContact CD2-CG 4.18Å; L71-Y189 HydrophobicContact CG-CD1 4.32Å; L71-Y189 HydrophobicContact CG-CE1 4.46Å
72V96.8Very high96.9Very high4 Ų438.4 Ų38.42%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-117.6118.8168.9177.40000109S67 E68 H74 K79 K81S67-V72 PolarHBondContact N-O 3Å; S67-V72 PolarHBondContact O-N 3.01Å; S67-V72 VanDerWaalsContact O-N 3.13Å; S67-V72 WeakPolarHBondContact OG-CB 3.27Å; S67-V72 WeakPolarHBondContact OG-CG1 3.33Å; S67-V72 PolarHBondContact OG-O 3.32Å; E68-V72 HydrophobicContact CB-CG2 4.49Å; E68-V72 HydrophobicContact CG-CG2 4.46Å; E68-V72 WeakPolarHBondContact OE1-CG2 3.4Å; V72-H74 VanDerWaalsContact CG1-CE1 3.49Å; V72-H74 WeakPolarHBondContact CG1-CE1 3.46Å; V72-K79 HydrophobicContact CG1-CD 4.33Å; V72-K81 WeakPolarHBondContact CA-O 3.45Å
73V98Very high96.6Very high0 Ų039.1 Ų39.10%019%0.193CC..EExtended strand (participates in β ladder)trans-112.2123-174.4-170.90000109.7Y64 F66 G70 I80 K81 F193Y64-V73 HydrophobicContact CD1-CG1 4.04Å; F66-V73 HydrophobicContact CD1-CB 4.44Å; F66-V73 HydrophobicContact CD1-CG1 3.96Å; F66-V73 HydrophobicContact CD1-CG2 4.05Å; F66-V73 HydrophobicContact CE1-CG1 3.7Å; F66-V73 HydrophobicContact CE1-CG2 4.22Å; G70-V73 WeakPolarHBondContact O-CG2 3.34Å; V73-I80 HydrophobicContact CB-CD1 4.45Å; V73-I80 HydrophobicContact CB-CG1 3.97Å; V73-I80 HydrophobicContact CG1-CD1 3.83Å; V73-I80 HydrophobicContact CG1-CG1 3.8Å; V73-I80 WeakPolarHBondContact O-CG1 3.25Å; V73-I80 PolarHBondContact O-N 3.48Å; V73-K81 HydrophobicContact CB-CB 4.13Å; V73-K81 HydrophobicContact CG2-CB 4.14Å; V73-K81 PolarHBondContact N-O 3.26Å; V73-K81 PolarHBondContact O-N 3.45Å; V73-F193 HydrophobicContact CG2-CD1 4.5Å; V73-F193 HydrophobicContact CG2-CD2 4.02Å; V73-F193 HydrophobicContact CG2-CE1 4.16Å; V73-F193 HydrophobicContact CG2-CE2 3.65Å; V73-F193 HydrophobicContact CG2-CG 4.44Å; V73-F193 HydrophobicContact CG2-CZ 3.73Å
74H98.3Very high96.4Very high13 Ų1340.8 Ų40.86%0.0620%0.201CC..EExtended strand (participates in β ladder)trans-109.3137.2166-61.668.9000109.6F47 Y64 I65 V72 Q78 K79F47-H74 VanDerWaalsContact CB-CE1 3.46Å; F47-H74 WeakPolarHBondContact CB-CE1 3.29Å; F47-H74 AromaticContact CD1-CE1 3.82Å; F47-H74 AromaticContact CD1-NE2 3.55Å; F47-H74 HydrophobicContact CD2-CB 4.33Å; F47-H74 AromaticContact CD2-CD2 3.79Å; F47-H74 AromaticContact CD2-CE1 3.37Å; F47-H74 WeakPolarHBondContact CD2-CE1 3.21Å; F47-H74 AromaticContact CD2-CG 3.57Å; F47-H74 AromaticContact CD2-ND1 3.29Å; F47-H74 VanDerWaalsContact CD2-ND1 3.29Å; F47-H74 WeakPolarHBondContact CD2-ND1 3.38Å; F47-H74 AromaticContact CD2-NE2 3.71Å; F47-H74 AromaticContact CE1-CD2 3.93Å; F47-H74 AromaticContact CE1-NE2 3.84Å; F47-H74 HydrophobicContact CE2-CB 3.95Å; F47-H74 AromaticContact CE2-CD2 3.63Å; F47-H74 AromaticContact CE2-CG 3.51Å; F47-H74 AromaticContact CE2-ND1 3.77Å; F47-H74 AromaticContact CE2-NE2 3.99Å; F47-H74 AromaticContact CG-CE1 3.25Å; F47-H74 WeakPolarHBondContact CG-CE1 3.36Å; F47-H74 AromaticContact CG-ND1 3.7Å; F47-H74 AromaticContact CG-NE2 3.47Å; F47-H74 WeakPolarHBondContact CG-NE2 3.46Å; F47-H74 AromaticContact CZ-CD2 3.7Å; Y64-H74 WeakPolarHBondContact CA-O 2.9Å; I65-H74 HydrophobicContact CB-CB 4.24Å; I65-H74 PolarHBondContact N-O 2.76Å; I65-H74 PolarHBondContact O-N 3.35Å; V72-H74 VanDerWaalsContact CG1-CE1 3.49Å; V72-H74 WeakPolarHBondContact CG1-CE1 3.46Å; H74-Q78 CarbonylContact C-O 3.57Å; H74-Q78 WeakPolarHBondContact CA-O 3.33Å; H74-K79 PolarHBondContact CD2-N 3.12Å
75N97.8Very high96.2Very high45 Ų4539 Ų3924%0.24120%0.195CC..EExtended strand (participates in β ladder)trans-117.4116.8174.7-179.6-100.6000108.5P63 Y64 G77 Q78 I80P63-N75 VanDerWaalsContact O-CA 3.24Å; P63-N75 WeakPolarHBondContact O-CA 3.4Å; P63-N75 PolarHBondContact O-ND2 2.86Å; Y64-N75 HydrophobicContact CE1-CB 4.49Å; N75-G77 VanDerWaalsContact C-N 3.28Å; N75-G77 PolarHBondContact O-N 3.19Å; N75-Q78 PolarHBondContact N-O 2.96Å; N75-Q78 WeakPolarHBondContact O-CB 3.34Å; N75-Q78 PolarHBondContact O-N 2.77Å; N75-I80 HydrophobicContact CB-CD1 3.85Å; N75-I80 HydrophobicContact CB-CG1 4.22Å; N75-I80 HydrophobicContact CB-CG2 3.97Å
76Y97.6Very high95.9Very high131 Ų13142.5 Ų42.551%0.51422%0.215SC..THydrogen-bonded Turntrans45.950.6-173.8-57.9-74.1000113T59 E60 K61 F62 P63 Q78T59-Y76 CarbonylContact O-C 3.47Å; E60-Y76 WeakPolarHBondContact O-CA 3.37Å; E60-Y76 WeakPolarHBondContact O-CB 3.47Å; E60-Y76 WeakPolarHBondContact O-CD1 3.43Å; K61-Y76 WeakPolarHBondContact O-CE1 3.29Å; F62-Y76 PolarHBondContact O-N 2.87Å; P63-Y76 HydrophobicContact CB-CE1 4.15Å; P63-Y76 HydrophobicContact CB-CE2 4.23Å; Y76-Q78 PolarHBondContact O-N 2.95Å; Y76-Q78 VanDerWaalsContact O-N 3.16Å
77G95.8Very high95.6Very high26 Ų2649.9 Ų49.927%0.26825%0.25SC..THydrogen-bonded Turntrans78-15.1-17900000115.6T59 N75T59-G77 WeakPolarHBondContact O-CA 3.32Å; T59-G77 PolarHBondContact O-N 3.16Å; N75-G77 VanDerWaalsContact C-N 3.28Å; N75-G77 PolarHBondContact O-N 3.19Å
78Q97.5Very high95.4Very high139 Ų13955.1 Ų55.165%0.6527%0.274SS*.EExtended strand (participates in β ladder)trans-88.4124.7179.1-172.517815.400111.3H74 N75 Y76 I80H74-Q78 CarbonylContact C-O 3.57Å; H74-Q78 WeakPolarHBondContact CA-O 3.33Å; N75-Q78 PolarHBondContact N-O 2.96Å; N75-Q78 WeakPolarHBondContact O-CB 3.34Å; N75-Q78 PolarHBondContact O-N 2.77Å; Y76-Q78 PolarHBondContact O-N 2.95Å; Y76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-I80 PolarHBondContact O-N 3.06Å
79K97.4Very high95.5Very high107 Ų10753.8 Ų53.847%0.46527%0.268SS..EExtended strand (participates in β ladder)trans-64.6120.9171.3-172.4172.3173.7169.90110V72 H74 S82V72-K79 HydrophobicContact CG1-CD 4.33Å; H74-K79 PolarHBondContact CD2-N 3.12Å; K79-S82 PolarHBondContact NZ-OG 2.96Å
80I96.5Very high95.5Very high93 Ų9355.3 Ų55.348%0.47728%0.281SS..EExtended strand (participates in β ladder)trans-112.8-24.2-179.960.1163.3000113.5V73 N75 Q78V73-I80 HydrophobicContact CB-CD1 4.45Å; V73-I80 HydrophobicContact CB-CG1 3.97Å; V73-I80 HydrophobicContact CG1-CD1 3.83Å; V73-I80 HydrophobicContact CG1-CG1 3.8Å; V73-I80 WeakPolarHBondContact O-CG1 3.25Å; V73-I80 PolarHBondContact O-N 3.48Å; N75-I80 HydrophobicContact CB-CD1 3.85Å; N75-I80 HydrophobicContact CB-CG1 4.22Å; N75-I80 HydrophobicContact CB-CG2 3.97Å; Q78-I80 PolarHBondContact O-N 3.06Å
81K94.7Very high95.5Very high82 Ų8260.5 Ų60.536%0.35731%0.306SS..EExtended strand (participates in β ladder)trans-149.2147.9-179.9-167.2170.8176.1-179.40112V72 V73 F193V72-K81 WeakPolarHBondContact CA-O 3.45Å; V73-K81 HydrophobicContact CB-CB 4.13Å; V73-K81 HydrophobicContact CG2-CB 4.14Å; V73-K81 PolarHBondContact N-O 3.26Å; V73-K81 PolarHBondContact O-N 3.45Å; K81-F193 HydrophobicContact CD-CE1 3.69Å; K81-F193 HydrophobicContact CD-CZ 3.76Å
82S94.4Very high95.6Very high49 Ų4964.8 Ų64.834%0.34333%0.329SS..EExtended strand (participates in β ladder)trans-141.2119.8171-146.60000106.6L71 K79L71-S82 CarbonylContact O-C 3.51Å; L71-S82 WeakPolarHBondContact O-CA 3.3Å; K79-S82 PolarHBondContact NZ-OG 2.96Å
83T93.8Very high95.6Very high15 Ų1565.5 Ų65.59%0.09233%0.333CS..  trans-101.6132.6177.1-57.20000109L71 W185 Y189L71-T83 HydrophobicContact CD2-CG2 4.02Å; L71-T83 PolarHBondContact O-N 2.92Å; T83-W185 HydrophobicContact CG2-CH2 3.66Å; T83-W185 HydrophobicContact CG2-CZ2 3.68Å; T83-W185 HydrophobicContact CG2-CZ3 4.45Å; T83-Y189 WeakPolarHBondContact CG2-OH 3.43Å; T83-Y189 PolarHBondContact OG1-OH 2.72Å; T83-Y189 VanDerWaalsContact OG1-OH 3.06Å
84N92.9Very high95.6Very high42 Ų4265.5 Ų65.523%0.22533%0.333CS..  trans-113.1137.8179.5-161.4-55.7000112.6V86 E87 N122N84-V86 HydrophobicContact CB-CG2 4.34Å; N84-V86 PolarHBondContact O-N 3.01Å; N84-V86 VanDerWaalsContact OD1-CG2 3.27Å; N84-V86 WeakPolarHBondContact OD1-CG2 3.24Å; N84-V86 PolarHBondContact OD1-N 2.91Å; N84-E87 HydrophobicContact CB-CG 4.21Å; N84-E87 PolarHBondContact O-N 2.82Å; N84-E87 VanDerWaalsContact O-N 3.15Å; N84-N122 CarbonylContact C-O 3.59Å; N84-N122 VanDerWaalsContact CA-O 3.23Å; N84-N122 WeakPolarHBondContact CA-O 3.49Å; N84-N122 PolarHBondContact OD1-O 3.35Å
85I94Very high95.6Very high0 Ų069.7 Ų69.70%035%0.353CS..Hα-helixtrans-57.9-34.7176.3-166.6171.4000112.7E87 H88 V89 F120 N122 I125 P182 W185I85-E87 PolarHBondContact O-N 2.88Å; I85-H88 PolarHBondContact O-N 3.06Å; I85-H88 VanDerWaalsContact O-N 3.08Å; I85-V89 HydrophobicContact CD1-CG2 4.37Å; I85-V89 HydrophobicContact CG1-CB 4.36Å; I85-V89 HydrophobicContact CG1-CG2 3.73Å; I85-V89 PolarHBondContact O-N 3.37Å; I85-F120 HydrophobicContact CG2-CD1 3.91Å; I85-F120 HydrophobicContact CG2-CE1 4.16Å; I85-N122 PolarHBondContact N-O 2.86Å; I85-I125 HydrophobicContact CD1-CD1 4.14Å; I85-I125 HydrophobicContact CD1-CG1 4.13Å; I85-P182 HydrophobicContact CD1-CG 4.37Å; I85-P182 HydrophobicContact CG1-CG 4.09Å; I85-W185 HydrophobicContact CB-CH2 4.33Å; I85-W185 HydrophobicContact CB-CZ3 3.89Å; I85-W185 HydrophobicContact CG1-CZ3 4.35Å
86V92.6Very high95.6Very high73 Ų7373.3 Ų73.344%0.44236%0.363SS..Hα-helixtrans-69.1-20.4-179.2-51.60000113N84 L94 F120N84-V86 HydrophobicContact CB-CG2 4.34Å; N84-V86 PolarHBondContact O-N 3.01Å; N84-V86 VanDerWaalsContact OD1-CG2 3.27Å; N84-V86 WeakPolarHBondContact OD1-CG2 3.24Å; N84-V86 PolarHBondContact OD1-N 2.91Å; V86-L94 HydrophobicContact CB-CD1 4.48Å; V86-L94 HydrophobicContact CG1-CD1 4.35Å; V86-F120 HydrophobicContact CG1-CD1 3.96Å; V86-F120 HydrophobicContact CG1-CE1 3.85Å
87E91.6Very high95.7Very high156 Ų15667.1 Ų67.173%0.72934%0.339SS*.Hα-helixtrans-86.1-18.6175.4-62.7172.5174.800111.8N84 I85N84-E87 HydrophobicContact CB-CG 4.21Å; N84-E87 PolarHBondContact O-N 2.82Å; N84-E87 VanDerWaalsContact O-N 3.15Å; I85-E87 PolarHBondContact O-N 2.88Å
88H93Very high95.8Very high111 Ų11167.6 Ų67.651%0.51434%0.335SS..Hα-helixtrans-105.1-35-174-169.775.1000113.5I85 W185I85-H88 PolarHBondContact O-N 3.06Å; I85-H88 VanDerWaalsContact O-N 3.08Å; H88-W185 HydrophobicContact CB-CH2 3.72Å; H88-W185 HydrophobicContact CB-CZ2 3.52Å; H88-W185 AromaticContact CD2-CZ2 3.75Å; H88-W185 AromaticContact CG-CZ2 3.48Å; H88-W185 VanDerWaalsContact CG-CZ2 3.48Å
89V95.2Very high95.8Very high5 Ų565.7 Ų65.73%0.0333%0.329CS..SBendtrans-104.7132.7-179.2-175.70000109I85 T93 L94 P167 L168 P182I85-V89 HydrophobicContact CD1-CG2 4.37Å; I85-V89 HydrophobicContact CG1-CB 4.36Å; I85-V89 HydrophobicContact CG1-CG2 3.73Å; I85-V89 PolarHBondContact O-N 3.37Å; V89-T93 HydrophobicContact CG1-CG2 3.85Å; V89-L94 HydrophobicContact CB-CD2 3.96Å; V89-L94 HydrophobicContact CB-CG 4.16Å; V89-L94 HydrophobicContact CG1-CD2 3.76Å; V89-L94 HydrophobicContact CG1-CG 3.9Å; V89-P167 HydrophobicContact CG2-CG 4.46Å; V89-L168 HydrophobicContact CG1-CD2 4.32Å; V89-L168 HydrophobicContact CG2-CD2 4.12Å; V89-P182 HydrophobicContact CG2-CG 3.87Å
90S95.9Very high95.9Very high65 Ų6562.4 Ų62.446%0.45532%0.315SS..  trans-62.1141-179.467.40000112.1D92 T93 L94S90-D92 PolarHBondContact O-N 3.34Å; S90-T93 WeakPolarHBondContact O-CA 3.46Å; S90-T93 WeakPolarHBondContact O-CB 3.49Å; S90-T93 PolarHBondContact O-N 2.81Å; S90-T93 WeakPolarHBondContact OG-CB 3.34Å; S90-T93 PolarHBondContact OG-N 2.89Å; S90-T93 PolarHBondContact OG-OG1 2.76Å; S90-L94 WeakPolarHBondContact O-CG 3.41Å; S90-L94 PolarHBondContact O-N 3Å
91E96.7Very high96Very high110 Ų11058 Ų5851%0.51429%0.292SS..Hα-helixtrans-52.8-39.4177.5-177.357.4-150.100112.4T93 L94 Q95E91-T93 VanDerWaalsContact C-N 3.34Å; E91-T93 PolarHBondContact O-N 2.93Å; E91-L94 PolarHBondContact O-N 2.9Å; E91-Q95 HydrophobicContact CG-CG 4.49Å; E91-Q95 WeakPolarHBondContact O-CG 3.41Å; E91-Q95 PolarHBondContact O-N 3.2Å; E91-Q95 WeakPolarHBondContact OE1-CG 3.33Å; E91-Q95 PolarHBondContact OE1-NE2 2.83Å
92D97.4Very high96.1Very high95 Ų9558 Ų5851%0.50830%0.295SS..Hα-helixtrans-60.8-39.1175.3171.463000112.9S90 R96S90-D92 PolarHBondContact O-N 3.34Å; D92-R96 WeakPolarHBondContact O-CG 3.5Å; D92-R96 PolarHBondContact O-N 2.82Å; D92-R96 IonicContact OD1-CZ 3.55Å; D92-R96 IonicContact OD1-NH1 3.7Å; D92-R96 PolarHBondContact OD1-NH1 2.97Å; D92-R96 IonicContact OD2-CZ 3.63Å; D92-R96 IonicContact OD2-NH1 2.89Å; D92-R96 PolarHBondContact OD2-NH1 3.21Å; D92-R96 IonicContact OD2-NH2 2.87Å; D92-R96 PolarHBondContact OD2-NH2 3.13Å
93T97.3Very high96.3Very high18 Ų1862 Ų6211%0.1131%0.309CS..Hα-helixtrans-70.5-41.9173.4-58.20000111.4V89 S90 E91 R96 F97 L168V89-T93 HydrophobicContact CG1-CG2 3.85Å; S90-T93 WeakPolarHBondContact O-CA 3.46Å; S90-T93 WeakPolarHBondContact O-CB 3.49Å; S90-T93 PolarHBondContact O-N 2.81Å; S90-T93 WeakPolarHBondContact OG-CB 3.34Å; S90-T93 PolarHBondContact OG-N 2.89Å; S90-T93 PolarHBondContact OG-OG1 2.76Å; E91-T93 VanDerWaalsContact C-N 3.34Å; E91-T93 PolarHBondContact O-N 2.93Å; T93-R96 PolarHBondContact O-N 2.89Å; T93-R96 PolarHBondContact OG1-NH2 3.4Å; T93-F97 WeakPolarHBondContact O-CB 3.48Å; T93-F97 PolarHBondContact O-N 3Å; T93-L168 HydrophobicContact CG2-CD1 4.43Å
94L97.5Very high96.6Very high1 Ų163.8 Ų63.81%0.00531%0.314CS..Hα-helixtrans-61-47.3178.1-66.6175.7000111.6V86 V89 S90 E91 F97 I98 F120 I125V86-L94 HydrophobicContact CB-CD1 4.48Å; V86-L94 HydrophobicContact CG1-CD1 4.35Å; V89-L94 HydrophobicContact CB-CD2 3.96Å; V89-L94 HydrophobicContact CB-CG 4.16Å; V89-L94 HydrophobicContact CG1-CD2 3.76Å; V89-L94 HydrophobicContact CG1-CG 3.9Å; S90-L94 WeakPolarHBondContact O-CG 3.41Å; S90-L94 PolarHBondContact O-N 3Å; E91-L94 PolarHBondContact O-N 2.9Å; L94-F97 PolarHBondContact O-N 2.77Å; L94-I98 WeakPolarHBondContact O-CB 3.45Å; L94-I98 VanDerWaalsContact O-CG1 3.25Å; L94-I98 WeakPolarHBondContact O-CG1 3.39Å; L94-I98 PolarHBondContact O-N 3.2Å; L94-F120 HydrophobicContact CD1-CE1 4.4Å; L94-F120 HydrophobicContact CD2-CE1 4.33Å; L94-I125 HydrophobicContact CD2-CD1 3.73Å
95Q98Very high96.8Very high101 Ų10162.2 Ų62.247%0.47231%0.306SS..Hα-helixtrans-64.6-43178.4-71.8-174.727.600112.4E91 F97 I98 N99E91-Q95 HydrophobicContact CG-CG 4.49Å; E91-Q95 WeakPolarHBondContact O-CG 3.41Å; E91-Q95 PolarHBondContact O-N 3.2Å; E91-Q95 WeakPolarHBondContact OE1-CG 3.33Å; E91-Q95 PolarHBondContact OE1-NE2 2.83Å; Q95-F97 VanDerWaalsContact C-N 3.31Å; Q95-F97 PolarHBondContact O-N 3.04Å; Q95-I98 PolarHBondContact O-N 3.1Å; Q95-N99 WeakPolarHBondContact O-CB 3.41Å; Q95-N99 VanDerWaalsContact O-CG 3.27Å; Q95-N99 PolarHBondContact O-N 3.4Å; Q95-N99 PolarHBondContact O-ND2 3.37Å
96R98.1Very high96.9Very high121 Ų12166.3 Ų66.346%0.45733%0.334SS..Hα-helixtrans-57.6-45.8173-82.6-164.5-66-84.9-6.5111.7D92 T93 N99 F100 F163D92-R96 WeakPolarHBondContact O-CG 3.5Å; D92-R96 PolarHBondContact O-N 2.82Å; D92-R96 IonicContact OD1-CZ 3.55Å; D92-R96 IonicContact OD1-NH1 3.7Å; D92-R96 PolarHBondContact OD1-NH1 2.97Å; D92-R96 IonicContact OD2-CZ 3.63Å; D92-R96 IonicContact OD2-NH1 2.89Å; D92-R96 PolarHBondContact OD2-NH1 3.21Å; D92-R96 IonicContact OD2-NH2 2.87Å; D92-R96 PolarHBondContact OD2-NH2 3.13Å; T93-R96 PolarHBondContact O-N 2.89Å; T93-R96 PolarHBondContact OG1-NH2 3.4Å; R96-N99 PolarHBondContact O-N 2.84Å; R96-F100 WeakPolarHBondContact O-CB 3.32Å; R96-F100 PolarHBondContact O-N 2.86Å; R96-F163 HydrophobicContact CB-CE1 4.3Å
97F98.4Very high97.2Very high0 Ų068.9 Ų68.90%035%0.346CS..Hα-helixtrans-62.4-45.6178.8177.1-103.8000112.3T93 L94 Q95 F100 C101 I125 V127 M159 F163 L168 F170 V180T93-F97 WeakPolarHBondContact O-CB 3.48Å; T93-F97 PolarHBondContact O-N 3Å; L94-F97 PolarHBondContact O-N 2.77Å; Q95-F97 VanDerWaalsContact C-N 3.31Å; Q95-F97 PolarHBondContact O-N 3.04Å; F97-F100 PolarHBondContact O-N 3.19Å; F97-C101 WeakPolarHBondContact CE2-SG 3.28Å; F97-C101 WeakPolarHBondContact CZ-SG 3.46Å; F97-C101 PolarHBondContact O-N 3.48Å; F97-C101 PolarHBondContact O-SG 3.06Å; F97-I125 HydrophobicContact CD1-CD1 4.05Å; F97-I125 HydrophobicContact CE1-CD1 4.25Å; F97-I125 HydrophobicContact CE1-CG2 4.19Å; F97-V127 HydrophobicContact CE1-CG2 3.98Å; F97-V127 HydrophobicContact CZ-CG2 3.93Å; F97-M159 HydrophobicContact CE2-CE 4.41Å; F97-M159 HydrophobicContact CE2-CG 4.21Å; F97-M159 HydrophobicContact CE2-SD 4.01Å; F97-M159 HydrophobicContact CZ-CE 4.22Å; F97-M159 HydrophobicContact CZ-SD 4.14Å; F97-F163 HydrophobicContact CB-CD1 4.5Å; F97-F163 HydrophobicContact CB-CE1 3.81Å; F97-F163 HydrophobicContact CB-CZ 3.97Å; F97-F163 HydrophobicContact CD2-CD1 4.4Å; F97-F163 HydrophobicContact CD2-CD2 4.13Å; F97-F163 HydrophobicContact CD2-CE1 4.23Å; F97-F163 AromaticContact CD2-CE2 3.97Å; F97-F163 HydrophobicContact CD2-CE2 3.97Å; F97-F163 HydrophobicContact CD2-CG 4.38Å; F97-F163 HydrophobicContact CD2-CZ 4.05Å; F97-L168 HydrophobicContact CB-CD1 4.12Å; F97-L168 HydrophobicContact CD2-CD1 3.9Å; F97-L168 HydrophobicContact CG-CD1 3.89Å; F97-F170 HydrophobicContact CD2-CE1 4.28Å; F97-F170 HydrophobicContact CE2-CD1 4.39Å; F97-F170 AromaticContact CE2-CE1 3.61Å; F97-F170 HydrophobicContact CE2-CE1 3.61Å; F97-F170 HydrophobicContact CE2-CZ 4.48Å; F97-F170 HydrophobicContact CZ-CE1 4.26Å; F97-V180 HydrophobicContact CE1-CB 4.2Å; F97-V180 HydrophobicContact CE1-CG1 3.97Å; F97-V180 HydrophobicContact CE1-CG2 4.17Å; F97-V180 HydrophobicContact CE2-CG1 4.16Å; F97-V180 HydrophobicContact CE2-CG2 4.41Å; F97-V180 HydrophobicContact CZ-CB 4.01Å; F97-V180 HydrophobicContact CZ-CG1 3.74Å; F97-V180 HydrophobicContact CZ-CG2 3.58Å
98I98.3Very high97.4Very high36 Ų3662.6 Ų62.619%0.18532%0.317CS..Hα-helixtrans-62.4-48.2177.5-70.8165.1000110.9L94 Q95 F100 C101 L102 I118 F120L94-I98 WeakPolarHBondContact O-CB 3.45Å; L94-I98 VanDerWaalsContact O-CG1 3.25Å; L94-I98 WeakPolarHBondContact O-CG1 3.39Å; L94-I98 PolarHBondContact O-N 3.2Å; Q95-I98 PolarHBondContact O-N 3.1Å; I98-F100 VanDerWaalsContact C-N 3.33Å; I98-F100 PolarHBondContact O-N 2.78Å; I98-C101 PolarHBondContact O-N 2.92Å; I98-C101 VanDerWaalsContact O-N 3.15Å; I98-L102 HydrophobicContact CG2-CD1 3.78Å; I98-L102 HydrophobicContact CG2-CG 4.26Å; I98-L102 WeakPolarHBondContact O-CG 3.43Å; I98-L102 PolarHBondContact O-N 3.4Å; I98-I118 HydrophobicContact CB-CD1 4.43Å; I98-I118 HydrophobicContact CG1-CD1 4.48Å; I98-I118 HydrophobicContact CG1-CG2 4.44Å; I98-I118 HydrophobicContact CG2-CD1 3.94Å; I98-F120 HydrophobicContact CD1-CE2 3.83Å; I98-F120 HydrophobicContact CD1-CZ 3.87Å
99N98.5Very high97.7Very high99 Ų9967.7 Ų67.753%0.52933%0.332SS..Hα-helixtrans-59.9-44.4179-74.7-20000111.5Q95 R96 C101 L102 Q103Q95-N99 WeakPolarHBondContact O-CB 3.41Å; Q95-N99 VanDerWaalsContact O-CG 3.27Å; Q95-N99 PolarHBondContact O-N 3.4Å; Q95-N99 PolarHBondContact O-ND2 3.37Å; R96-N99 PolarHBondContact O-N 2.84Å; N99-C101 PolarHBondContact O-N 2.76Å; N99-L102 PolarHBondContact O-N 3.37Å; N99-Q103 VanDerWaalsContact O-CB 3.31Å; N99-Q103 WeakPolarHBondContact O-CB 3.43Å; N99-Q103 PolarHBondContact O-N 2.9Å
100F98.7Very high97.8Very high39 Ų3967.9 Ų67.917%0.17133%0.333CS..Hα-helixtrans-56.8-49.3173.5171-97000111.5R96 F97 I98 L102 Q103 Y104 F155 K158 M159 E162 F163R96-F100 WeakPolarHBondContact O-CB 3.32Å; R96-F100 PolarHBondContact O-N 2.86Å; F97-F100 PolarHBondContact O-N 3.19Å; I98-F100 VanDerWaalsContact C-N 3.33Å; I98-F100 PolarHBondContact O-N 2.78Å; F100-L102 PolarHBondContact O-N 3.38Å; F100-Q103 PolarHBondContact O-N 3.19Å; F100-Y104 HydrophobicContact CZ-CD2 4.41Å; F100-Y104 WeakPolarHBondContact O-CB 3.37Å; F100-Y104 PolarHBondContact O-N 2.87Å; F100-F155 HydrophobicContact CD1-CE2 4.48Å; F100-F155 HydrophobicContact CE1-CD2 4.4Å; F100-F155 AromaticContact CE1-CE2 3.85Å; F100-F155 HydrophobicContact CE1-CE2 3.85Å; F100-K158 HydrophobicContact CZ-CB 4.03Å; F100-M159 HydrophobicContact CD1-CG 4.47Å; F100-M159 HydrophobicContact CE1-CB 4.48Å; F100-M159 HydrophobicContact CE1-CG 3.77Å; F100-E162 HydrophobicContact CD2-CG 4.18Å; F100-E162 HydrophobicContact CE2-CB 4.28Å; F100-E162 HydrophobicContact CE2-CG 3.59Å; F100-E162 HydrophobicContact CZ-CG 4Å; F100-F163 HydrophobicContact CB-CE2 3.85Å; F100-F163 HydrophobicContact CB-CZ 3.96Å; F100-F163 AromaticContact CD1-CE2 3.71Å; F100-F163 HydrophobicContact CD1-CE2 3.71Å; F100-F163 HydrophobicContact CD2-CE2 4.37Å; F100-F163 HydrophobicContact CE1-CE2 4.39Å; F100-F163 AromaticContact CG-CE2 3.7Å; F100-F163 HydrophobicContact CG-CE2 3.7Å; F100-F163 HydrophobicContact CG-CZ 4.32Å
101C98.5Very high97.9Very high0 Ų066.4 Ų66.40%032%0.322CS..Hα-helixtrans-62.5-46.5-178.5-70.40000112.4F97 I98 N99 Y104 M105 I118 V127 F155F97-C101 WeakPolarHBondContact CE2-SG 3.28Å; F97-C101 WeakPolarHBondContact CZ-SG 3.46Å; F97-C101 PolarHBondContact O-N 3.48Å; F97-C101 PolarHBondContact O-SG 3.06Å; I98-C101 PolarHBondContact O-N 2.92Å; I98-C101 VanDerWaalsContact O-N 3.15Å; N99-C101 PolarHBondContact O-N 2.76Å; C101-Y104 PolarHBondContact O-N 3.5Å; C101-M105 HydrophobicContact CB-CE 4.18Å; C101-M105 WeakPolarHBondContact O-CB 3.45Å; C101-M105 WeakPolarHBondContact O-CE 3.42Å; C101-M105 VanDerWaalsContact O-CG 3.3Å; C101-M105 WeakPolarHBondContact O-CG 3.34Å; C101-M105 PolarHBondContact O-N 3.04Å; C101-I118 HydrophobicContact CB-CD1 3.88Å; C101-V127 HydrophobicContact CB-CG1 4.44Å; C101-F155 HydrophobicContact CB-CZ 4.08Å
102L98.3Very high98Very high81 Ų8165.8 Ų65.842%0.42431%0.314SS..Hα-helixtrans-62.9-43.4179.8-68.3175000111.5I98 N99 F100 M105 S106 I118I98-L102 HydrophobicContact CG2-CD1 3.78Å; I98-L102 HydrophobicContact CG2-CG 4.26Å; I98-L102 WeakPolarHBondContact O-CG 3.43Å; I98-L102 PolarHBondContact O-N 3.4Å; N99-L102 PolarHBondContact O-N 3.37Å; F100-L102 PolarHBondContact O-N 3.38Å; L102-M105 HydrophobicContact CD2-CE 4.17Å; L102-M105 PolarHBondContact O-N 2.93Å; L102-S106 PolarHBondContact O-N 3.19Å; L102-I118 HydrophobicContact CD2-CD1 3.73Å; L102-I118 HydrophobicContact CD2-CG1 4.38Å; L102-I118 HydrophobicContact CG-CD1 3.77Å
103Q98.4Very high98Very high133 Ų13364.9 Ų64.962%0.62131%0.306SS*.Hα-helixtrans-66.9-39176.5-175.1177.49.600112.2N99 F100 S106 N107N99-Q103 VanDerWaalsContact O-CB 3.31Å; N99-Q103 WeakPolarHBondContact O-CB 3.43Å; N99-Q103 PolarHBondContact O-N 2.9Å; F100-Q103 PolarHBondContact O-N 3.19Å; Q103-S106 PolarHBondContact O-OG 2.61Å; Q103-N107 PolarHBondContact O-ND2 3.3Å
104Y98.5Very high98Very high53 Ų5368.1 Ų68.121%0.20832%0.316CS..Hα-helixtrans-63.6-50175.2-173.3-86.4000110.5F100 C101 S106 N107 L108 F155 K158F100-Y104 HydrophobicContact CZ-CD2 4.41Å; F100-Y104 WeakPolarHBondContact O-CB 3.37Å; F100-Y104 PolarHBondContact O-N 2.87Å; C101-Y104 PolarHBondContact O-N 3.5Å; Y104-S106 VanDerWaalsContact C-N 3.28Å; Y104-S106 PolarHBondContact O-N 2.74Å; Y104-N107 PolarHBondContact O-N 3.21Å; Y104-N107 VanDerWaalsContact O-N 3.08Å; Y104-L108 HydrophobicContact CD1-CD1 4.13Å; Y104-L108 HydrophobicContact CD1-CD2 4.35Å; Y104-L108 HydrophobicContact CD1-CG 4.22Å; Y104-L108 HydrophobicContact CE1-CD1 4.02Å; Y104-L108 HydrophobicContact CE1-CD2 3.75Å; Y104-L108 HydrophobicContact CE1-CG 4.08Å; Y104-F155 HydrophobicContact CD1-CB 4.3Å; Y104-F155 AromaticContact CD1-CD1 3.85Å; Y104-F155 HydrophobicContact CD1-CD1 3.85Å; Y104-F155 AromaticContact CD1-CD2 3.21Å; Y104-F155 HydrophobicContact CD1-CD2 3.21Å; Y104-F155 AromaticContact CD1-CE1 3.88Å; Y104-F155 HydrophobicContact CD1-CE1 3.88Å; Y104-F155 AromaticContact CD1-CE2 3.24Å; Y104-F155 HydrophobicContact CD1-CE2 3.24Å; Y104-F155 AromaticContact CD1-CG 3.54Å; Y104-F155 HydrophobicContact CD1-CG 3.54Å; Y104-F155 AromaticContact CD1-CZ 3.58Å; Y104-F155 HydrophobicContact CD1-CZ 3.58Å; Y104-F155 HydrophobicContact CD2-CD2 4.11Å; Y104-F155 HydrophobicContact CD2-CE2 4.19Å; Y104-F155 HydrophobicContact CE1-CB 3.61Å; Y104-F155 AromaticContact CE1-CD1 3.92Å; Y104-F155 HydrophobicContact CE1-CD1 3.92Å; Y104-F155 AromaticContact CE1-CD2 3.38Å; Y104-F155 HydrophobicContact CE1-CD2 3.38Å; Y104-F155 HydrophobicContact CE1-CE1 4.41Å; Y104-F155 AromaticContact CE1-CE2 3.94Å; Y104-F155 HydrophobicContact CE1-CE2 3.94Å; Y104-F155 AromaticContact CE1-CG 3.37Å; Y104-F155 HydrophobicContact CE1-CG 3.37Å; Y104-F155 HydrophobicContact CE1-CZ 4.41Å; Y104-F155 HydrophobicContact CE2-CD2 4.26Å; Y104-F155 AromaticContact CG-CD2 3.59Å; Y104-F155 HydrophobicContact CG-CD2 3.59Å; Y104-F155 AromaticContact CG-CE2 3.38Å; Y104-F155 HydrophobicContact CG-CE2 3.38Å; Y104-F155 HydrophobicContact CG-CG 4.37Å; Y104-F155 AromaticContact CG-CZ 4Å; Y104-F155 HydrophobicContact CG-CZ 4Å; Y104-F155 AromaticContact CZ-CD2 3.91Å; Y104-K158 HydrophobicContact CE2-CB 4.13Å; Y104-K158 HydrophobicContact CE2-CG 3.92Å
105M98Very high97.6Very high9 Ų970 Ų704%0.04434%0.336CS..Hα-helixtrans-65-28-179.3-70.7-174-67.400113.5C101 L102 N107 L108 F117 I118 V127 F155C101-M105 HydrophobicContact CB-CE 4.18Å; C101-M105 WeakPolarHBondContact O-CB 3.45Å; C101-M105 WeakPolarHBondContact O-CE 3.42Å; C101-M105 VanDerWaalsContact O-CG 3.3Å; C101-M105 WeakPolarHBondContact O-CG 3.34Å; C101-M105 PolarHBondContact O-N 3.04Å; L102-M105 HydrophobicContact CD2-CE 4.17Å; L102-M105 PolarHBondContact O-N 2.93Å; M105-N107 PolarHBondContact O-N 2.88Å; M105-L108 HydrophobicContact CG-CD1 4.25Å; M105-L108 PolarHBondContact O-N 3.43Å; M105-F117 HydrophobicContact CE-CB 3.7Å; M105-F117 HydrophobicContact SD-CB 4.01Å; M105-F117 HydrophobicContact SD-CD1 4.47Å; M105-I118 HydrophobicContact CE-CD1 4.2Å; M105-I118 HydrophobicContact CE-CG1 4Å; M105-V127 HydrophobicContact CE-CG1 4.17Å; M105-V127 HydrophobicContact SD-CG1 4.03Å; M105-F155 HydrophobicContact CG-CE1 3.61Å; M105-F155 HydrophobicContact CG-CZ 3.9Å; M105-F155 HydrophobicContact SD-CE1 4.09Å
106S96.9Very high97.6Very high86 Ų8668.4 Ų68.460%0.60133%0.331SS*.Hα-helixtrans-64.5-24.317570.30000112.9L102 Q103 Y104L102-S106 PolarHBondContact O-N 3.19Å; Q103-S106 PolarHBondContact O-OG 2.61Å; Y104-S106 VanDerWaalsContact C-N 3.28Å; Y104-S106 PolarHBondContact O-N 2.74Å
107N97.6Very high97.5Very high128 Ų12865.5 Ų65.568%0.68432%0.322SS*.THydrogen-bonded Turntrans-91.5-9.4178.4-66.7-60.6000113.5Q103 Y104 M105Q103-N107 PolarHBondContact O-ND2 3.3Å; Y104-N107 PolarHBondContact O-N 3.21Å; Y104-N107 VanDerWaalsContact O-N 3.08Å; M105-N107 PolarHBondContact O-N 2.88Å
108L97.4Very high97.5Very high23 Ų2367 Ų6712%0.1233%0.329CS..  trans-76.1132.9178.6-64.8179000110.6Y104 M105 L110 K113 P129 I151Y104-L108 HydrophobicContact CD1-CD1 4.13Å; Y104-L108 HydrophobicContact CD1-CD2 4.35Å; Y104-L108 HydrophobicContact CD1-CG 4.22Å; Y104-L108 HydrophobicContact CE1-CD1 4.02Å; Y104-L108 HydrophobicContact CE1-CD2 3.75Å; Y104-L108 HydrophobicContact CE1-CG 4.08Å; M105-L108 HydrophobicContact CG-CD1 4.25Å; M105-L108 PolarHBondContact O-N 3.43Å; L108-L110 HydrophobicContact CB-CD2 4.23Å; L108-L110 HydrophobicContact CB-CG 4.12Å; L108-K113 WeakPolarHBondContact O-CE 3.48Å; L108-K113 PolarHBondContact O-NZ 3.48Å; L108-P129 HydrophobicContact CD1-CB 4.07Å; L108-I151 HydrophobicContact CD1-CG2 3.81Å; L108-I151 HydrophobicContact CD2-CG2 4.27Å
109W97.4Very high97.4Very high218 Ų21867.5 Ų67.583%0.82633%0.331SS*.  trans-99120.7162.9-161.2-94.1000109.1Y145W109-Y145 PolarHBondContact O-OH 3Å
110L98.1Very high97.2Very high10 Ų1067.1 Ų67.15%0.05232%0.324CS..  trans-128.6155.8-173.7-58.7-178.8000108.8L108 R112 P129 F142 Y145 I151L108-L110 HydrophobicContact CB-CD2 4.23Å; L108-L110 HydrophobicContact CB-CG 4.12Å; L110-R112 WeakPolarHBondContact CB-O 3.12Å; L110-R112 PolarHBondContact O-N 2.64Å; L110-P129 HydrophobicContact CD1-CB 3.91Å; L110-P129 VanDerWaalsContact CD1-O 3.26Å; L110-P129 WeakPolarHBondContact CD1-O 3.33Å; L110-F142 HydrophobicContact CD1-CD2 4.47Å; L110-F142 HydrophobicContact CD1-CE2 4.05Å; L110-F142 HydrophobicContact CD2-CE2 4.01Å; L110-Y145 HydrophobicContact CD2-CD1 4.38Å; L110-Y145 HydrophobicContact CD2-CE1 4.04Å; L110-I151 HydrophobicContact CD2-CD1 4.32Å; L110-I151 HydrophobicContact CD2-CG1 4.06Å; L110-I151 HydrophobicContact CD2-CG2 4.02Å
111P97.9Very high96.7Very high34 Ų3469.4 Ų69.422%0.22133%0.332CS..SBendtrans-52-40.9175.5-26.433.8000112E141 Y145P111-E141 VanDerWaalsContact CB-CD 3.49Å; P111-E141 HydrophobicContact CB-CG 3.77Å; P111-E141 HydrophobicContact CG-CG 4.2Å; P111-Y145 HydrophobicContact CG-CD1 4.24Å; P111-Y145 HydrophobicContact CG-CD2 3.53Å; P111-Y145 HydrophobicContact CG-CE2 4.16Å; P111-Y145 HydrophobicContact CG-CG 3.57Å
112R97.9Very high96Very high96 Ų9672 Ų7236%0.36235%0.346SS..  trans-140.8158.3177.4-54.9-64.1-175.8-88.2-19.7111.1L110 R114 V130 E138 E141L110-R112 WeakPolarHBondContact CB-O 3.12Å; L110-R112 PolarHBondContact O-N 2.64Å; R112-R114 HydrophobicContact CB-CG 4.38Å; R112-R114 VanDerWaalsContact CD-NH2 3.34Å; R112-V130 HydrophobicContact CB-CG2 4.38Å; R112-E138 HydrophobicContact CG-CG 4.1Å; R112-E141 VanDerWaalsContact CG-OE2 3.29Å; R112-E141 WeakPolarHBondContact CG-OE2 3.36Å; R112-E141 IonicContact CZ-OE1 2.65Å; R112-E141 IonicContact CZ-OE2 3.8Å; R112-E141 VanDerWaalsContact CZ-OE2 3.3Å; R112-E141 IonicContact NE-OE2 3.09Å; R112-E141 IonicContact NH1-OE1 3.89Å; R112-E141 PolarHBondContact NH1-OE1 3.47Å; R112-E141 IonicContact NH1-OE2 2.81Å; R112-E141 IonicContact NH2-OE1 2.73Å; R112-E141 PolarHBondContact NH2-OE1 2.9Å; R112-E141 IonicContact NH2-OE2 3.73Å; R112-E141 PolarHBondContact NH2-OE2 2.91Å
113K97.9Very high95.6Very high77 Ų7768.2 Ų68.234%0.33533%0.326SS..  trans-133.2129.7162.9-71.3-168.2-177.870.10108.7L108 F117 V130L108-K113 WeakPolarHBondContact O-CE 3.48Å; L108-K113 PolarHBondContact O-NZ 3.48Å; K113-F117 HydrophobicContact CB-CE1 4.13Å; K113-F117 HydrophobicContact CB-CZ 4.05Å; K113-F117 HydrophobicContact CD-CE1 4.48Å; K113-F117 HydrophobicContact CD-CZ 4.45Å; K113-F117 HydrophobicContact CG-CE1 4.38Å; K113-V130 CarbonylContact C-O 3.42Å; K113-V130 WeakPolarHBondContact CA-O 3.46Å
114R96.8Very high95.4Very high86 Ų8663.2 Ų63.233%0.32530%0.304SS..  trans-140.479.9-167.1-62.6-63.8-178.3-105.811.5111.1R112 V130 G131 R132 S133 C134 E138R112-R114 HydrophobicContact CB-CG 4.38Å; R112-R114 VanDerWaalsContact CD-NH2 3.34Å; R114-V130 PolarHBondContact N-O 3.28Å; R114-G131 CarbonylContact O-C 3.49Å; R114-G131 WeakPolarHBondContact O-CA 3.38Å; R114-R132 PolarHBondContact O-N 2.81Å; R114-S133 VanDerWaalsContact O-CB 3.26Å; R114-S133 WeakPolarHBondContact O-CB 3.3Å; R114-S133 PolarHBondContact O-N 3.15Å; R114-S133 PolarHBondContact O-OG 2.76Å; R114-C134 HydrophobicContact CB-CB 3.98Å; R114-C134 HydrophobicContact CG-CB 3.95Å; R114-E138 IonicContact CZ-OE1 2.99Å; R114-E138 IonicContact NE-OE1 3.15Å; R114-E138 PolarHBondContact NE-OE1 3.39Å; R114-E138 IonicContact NE-OE2 3.45Å; R114-E138 PolarHBondContact NE-OE2 3.45Å; R114-E138 IonicContact NH2-OE1 3.47Å; R114-E138 PolarHBondContact NH2-OE1 3.39Å
115G90.4Very high95.3Very high41 Ų4160.7 Ų60.742%0.42329%0.294SS..SBendtrans56.8-136.1166.800000113.8F117G115-F117 WeakPolarHBondContact O-CD1 3.32Å; G115-F117 WeakPolarHBondContact O-CD2 3.3Å; G115-F117 WeakPolarHBondContact O-CE1 3.21Å; G115-F117 WeakPolarHBondContact O-CE2 3.25Å; G115-F117 WeakPolarHBondContact O-CG 3.45Å; G115-F117 VanDerWaalsContact O-CZ 3.24Å; G115-F117 WeakPolarHBondContact O-CZ 3.26Å; G115-F117 PolarHBondContact O-N 2.81Å
116N96.7Very high95.2Very high67 Ų6760.3 Ų60.336%0.35829%0.292SS..  trans-36.599.2-169-174.79.3000115.7I118 G131 R132N116-I118 PolarHBondContact OD1-O 3.13Å; N116-I118 VanDerWaalsContact OD1-O 3.13Å; N116-G131 CarbonylContact O-C 3.49Å; N116-G131 WeakPolarHBondContact O-CA 3.45Å; N116-R132 HydrophobicContact CB-CB 4.29Å; N116-R132 PolarHBondContact O-N 2.97Å
117F98Very high95.3Very high60 Ų6056.2 Ų56.226%0.26326%0.263SS..  trans-96.7-20.5-177.1-55.9-78.4000113.9M105 K113 G115 V127 C128 P129M105-F117 HydrophobicContact CE-CB 3.7Å; M105-F117 HydrophobicContact SD-CB 4.01Å; M105-F117 HydrophobicContact SD-CD1 4.47Å; K113-F117 HydrophobicContact CB-CE1 4.13Å; K113-F117 HydrophobicContact CB-CZ 4.05Å; K113-F117 HydrophobicContact CD-CE1 4.48Å; K113-F117 HydrophobicContact CD-CZ 4.45Å; K113-F117 HydrophobicContact CG-CE1 4.38Å; G115-F117 WeakPolarHBondContact O-CD1 3.32Å; G115-F117 WeakPolarHBondContact O-CD2 3.3Å; G115-F117 WeakPolarHBondContact O-CE1 3.21Å; G115-F117 WeakPolarHBondContact O-CE2 3.25Å; G115-F117 WeakPolarHBondContact O-CG 3.45Å; G115-F117 VanDerWaalsContact O-CZ 3.24Å; G115-F117 WeakPolarHBondContact O-CZ 3.26Å; G115-F117 PolarHBondContact O-N 2.81Å; F117-V127 CarbonylContact O-C 3.56Å; F117-V127 WeakPolarHBondContact O-CA 3.29Å; F117-C128 WeakPolarHBondContact CD1-O 3.3Å; F117-C128 PolarHBondContact O-N 3.17Å; F117-P129 WeakPolarHBondContact CD1-O 3.44Å
118I97.9Very high95.3Very high31 Ų3150.1 Ų50.116%0.15923%0.231CC..EExtended strand (participates in β ladder)trans-136.5114.4-179-60.6179.7000107.2I98 C101 L102 M105 N116 I125 N126I98-I118 HydrophobicContact CB-CD1 4.43Å; I98-I118 HydrophobicContact CG1-CD1 4.48Å; I98-I118 HydrophobicContact CG1-CG2 4.44Å; I98-I118 HydrophobicContact CG2-CD1 3.94Å; C101-I118 HydrophobicContact CB-CD1 3.88Å; L102-I118 HydrophobicContact CD2-CD1 3.73Å; L102-I118 HydrophobicContact CD2-CG1 4.38Å; L102-I118 HydrophobicContact CG-CD1 3.77Å; M105-I118 HydrophobicContact CE-CD1 4.2Å; M105-I118 HydrophobicContact CE-CG1 4Å; N116-I118 PolarHBondContact OD1-O 3.13Å; N116-I118 VanDerWaalsContact OD1-O 3.13Å; I118-I125 HydrophobicContact CG2-CG2 3.59Å; I118-N126 WeakPolarHBondContact CA-O 3.35Å
119E95.9Very high95.3Very high47 Ų4749.1 Ų49.122%0.2223%0.225CC..EExtended strand (participates in β ladder)trans-120.9121.8-179.9175.8-174.7-99.300109.2R121 N126 R132E119-R121 IonicContact OE2-CZ 3.83Å; E119-R121 IonicContact OE2-NE 3.89Å; E119-R121 PolarHBondContact OE2-NE 2.9Å; E119-R121 IonicContact OE2-NH2 3.66Å; E119-R121 PolarHBondContact OE2-NH2 3.38Å; E119-R121 VanDerWaalsContact OE2-NH2 3.17Å; E119-N126 HydrophobicContact CB-CB 4.36Å; E119-N126 PolarHBondContact N-O 3.11Å; E119-N126 PolarHBondContact O-N 3.18Å; E119-R132 IonicContact OE1-CZ 3.55Å; E119-R132 IonicContact OE1-NE 3.68Å; E119-R132 PolarHBondContact OE1-NE 3.46Å; E119-R132 IonicContact OE1-NH2 2.64Å; E119-R132 IonicContact OE2-CZ 2.61Å; E119-R132 IonicContact OE2-NE 3.17Å; E119-R132 PolarHBondContact OE2-NE 2.81Å; E119-R132 IonicContact OE2-NH1 3.1Å; E119-R132 IonicContact OE2-NH2 3.57Å; E119-R132 PolarHBondContact OE2-NH2 2.95Å
120F93.7Very high95.4Very high90 Ų9038.8 Ų38.840%0.39519%0.186SC..EExtended strand (participates in β ladder)trans-74.5130.5166.3-79.1-97.5000109.7I85 V86 L94 I98 I125I85-F120 HydrophobicContact CG2-CD1 3.91Å; I85-F120 HydrophobicContact CG2-CE1 4.16Å; V86-F120 HydrophobicContact CG1-CD1 3.96Å; V86-F120 HydrophobicContact CG1-CE1 3.85Å; L94-F120 HydrophobicContact CD1-CE1 4.4Å; L94-F120 HydrophobicContact CD2-CE1 4.33Å; I98-F120 HydrophobicContact CD1-CE2 3.83Å; I98-F120 HydrophobicContact CD1-CZ 3.87Å; F120-I125 HydrophobicContact CD1-CD1 4.45Å; F120-I125 HydrophobicContact CD1-CG1 3.81Å; F120-I125 HydrophobicContact CE1-CD1 3.8Å; F120-I125 HydrophobicContact CE1-CG1 3.66Å; F120-I125 HydrophobicContact CG-CG1 4.36Å; F120-I125 HydrophobicContact CZ-CD1 4Å; F120-I125 HydrophobicContact CZ-CG1 4.1Å
121R89.1Confident95.3Very high88 Ų8838.3 Ų38.333%0.33218%0.184SC..  trans-110177.9161.2-57.1-165.5-175.3151.313.1108.2E119 G123 L124E119-R121 IonicContact OE2-CZ 3.83Å; E119-R121 IonicContact OE2-NE 3.89Å; E119-R121 PolarHBondContact OE2-NE 2.9Å; E119-R121 IonicContact OE2-NH2 3.66Å; E119-R121 PolarHBondContact OE2-NH2 3.38Å; E119-R121 VanDerWaalsContact OE2-NH2 3.17Å; R121-G123 PolarHBondContact O-N 3.35Å; R121-L124 WeakPolarHBondContact CA-O 3.34Å; R121-L124 HydrophobicContact CB-CD1 4.1Å; R121-L124 HydrophobicContact CB-CG 4.15Å; R121-L124 HydrophobicContact CG-CD1 4.06Å; R121-L124 PolarHBondContact N-O 2.85Å
122N83.9Confident95.2Very high55 Ų5540 Ų4029%0.29419%0.186SC..SBendtrans-57.8-56.7-178.3-57.8-49.4000109.9E68 N84 I85E68-N122 PolarHBondContact OE1-ND2 3.07Å; E68-N122 VanDerWaalsContact OE2-CB 3.3Å; E68-N122 WeakPolarHBondContact OE2-CB 3.28Å; E68-N122 PolarHBondContact OE2-ND2 3.24Å; N84-N122 CarbonylContact C-O 3.59Å; N84-N122 VanDerWaalsContact CA-O 3.23Å; N84-N122 WeakPolarHBondContact CA-O 3.49Å; N84-N122 PolarHBondContact OD1-O 3.35Å; I85-N122 PolarHBondContact N-O 2.86Å
123G89.5Confident95.2Very high1 Ų139.2 Ų39.21%0.0120%0.195CC..SBendtrans-85.9-16.4-174.500000117.1R121 W185R121-G123 PolarHBondContact O-N 3.35Å; G123-W185 VanDerWaalsContact O-CZ3 3.22Å; G123-W185 WeakPolarHBondContact O-CZ3 3.49Å
124L93.6Very high95.1Very high28 Ų2836.2 Ų36.215%0.14718%0.184CC..  trans-152.9161.8-162.566.981.7000112.3R121 N126 D179 V180 F181R121-L124 WeakPolarHBondContact CA-O 3.34Å; R121-L124 HydrophobicContact CB-CD1 4.1Å; R121-L124 HydrophobicContact CB-CG 4.15Å; R121-L124 HydrophobicContact CG-CD1 4.06Å; R121-L124 PolarHBondContact N-O 2.85Å; L124-N126 HydrophobicContact CD1-CB 4Å; L124-D179 HydrophobicContact CD1-CB 4.49Å; L124-D179 HydrophobicContact CD2-CB 4.28Å; L124-V180 CarbonylContact C-O 3.53Å; L124-V180 VanDerWaalsContact CA-O 3.26Å; L124-V180 WeakPolarHBondContact CA-O 3.23Å; L124-V180 WeakPolarHBondContact CB-O 3.46Å; L124-F181 HydrophobicContact CB-CB 3.94Å
125I96.6Very high95.1Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-104.2120167-60.1160.8000107.2I85 L94 F97 I118 F120 V127 V180I85-I125 HydrophobicContact CD1-CD1 4.14Å; I85-I125 HydrophobicContact CD1-CG1 4.13Å; L94-I125 HydrophobicContact CD2-CD1 3.73Å; F97-I125 HydrophobicContact CD1-CD1 4.05Å; F97-I125 HydrophobicContact CE1-CD1 4.25Å; F97-I125 HydrophobicContact CE1-CG2 4.19Å; I118-I125 HydrophobicContact CG2-CG2 3.59Å; F120-I125 HydrophobicContact CD1-CD1 4.45Å; F120-I125 HydrophobicContact CD1-CG1 3.81Å; F120-I125 HydrophobicContact CE1-CD1 3.8Å; F120-I125 HydrophobicContact CE1-CG1 3.66Å; F120-I125 HydrophobicContact CG-CG1 4.36Å; F120-I125 HydrophobicContact CZ-CD1 4Å; F120-I125 HydrophobicContact CZ-CG1 4.1Å; I125-V127 HydrophobicContact CG2-CG2 4.11Å; I125-V180 HydrophobicContact CB-CB 4.34Å; I125-V180 PolarHBondContact N-O 3Å; I125-V180 WeakPolarHBondContact O-CB 3.27Å; I125-V180 PolarHBondContact O-N 2.96Å
126N96.3Very high95.5Very high1 Ų138 Ų381%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-89.5112.4173.2-174.3-107.4000108.5I118 E119 L124 R132 S177 D179I118-N126 WeakPolarHBondContact CA-O 3.35Å; E119-N126 HydrophobicContact CB-CB 4.36Å; E119-N126 PolarHBondContact N-O 3.11Å; E119-N126 PolarHBondContact O-N 3.18Å; L124-N126 HydrophobicContact CD1-CB 4Å; N126-R132 PolarHBondContact OD1-NH1 3.06Å; N126-R132 VanDerWaalsContact OD1-NH1 3.11Å; N126-S177 WeakPolarHBondContact ND2-CB 3.24Å; N126-S177 PolarHBondContact ND2-OG 3.32Å; N126-D179 PolarHBondContact ND2-OD1 3.13Å
127V98.4Very high95.5Very high0 Ų042.4 Ų42.40%021%0.209CC..EExtended strand (participates in β ladder)trans-98.6123.4175-178.10000108.6F97 C101 M105 F117 I125 F155 M159 S177 I178 V180F97-V127 HydrophobicContact CE1-CG2 3.98Å; F97-V127 HydrophobicContact CZ-CG2 3.93Å; C101-V127 HydrophobicContact CB-CG1 4.44Å; M105-V127 HydrophobicContact CE-CG1 4.17Å; M105-V127 HydrophobicContact SD-CG1 4.03Å; F117-V127 CarbonylContact O-C 3.56Å; F117-V127 WeakPolarHBondContact O-CA 3.29Å; I125-V127 HydrophobicContact CG2-CG2 4.11Å; V127-F155 HydrophobicContact CG1-CE1 3.79Å; V127-F155 HydrophobicContact CG1-CZ 4.19Å; V127-M159 HydrophobicContact CB-CE 4.32Å; V127-M159 HydrophobicContact CG1-CE 4.04Å; V127-M159 HydrophobicContact CG2-CE 4.35Å; V127-S177 CarbonylContact O-C 3.44Å; V127-S177 VanDerWaalsContact O-CA 3.29Å; V127-S177 WeakPolarHBondContact O-CA 3.41Å; V127-S177 WeakPolarHBondContact O-CB 3.45Å; V127-I178 HydrophobicContact CB-CB 4.43Å; V127-I178 PolarHBondContact N-O 2.83Å; V127-I178 PolarHBondContact O-N 2.76Å; V127-V180 HydrophobicContact CG2-CG2 4.14Å
128C98.1Very high95.5Very high0 Ų041 Ų410%020%0.203CC..  trans-128.799.7-173.3-175.10000110.4F117 V130 G131 R132 I176F117-C128 WeakPolarHBondContact CD1-O 3.3Å; F117-C128 PolarHBondContact O-N 3.17Å; C128-V130 VanDerWaalsContact C-N 3.34Å; C128-V130 PolarHBondContact O-N 3.17Å; C128-G131 WeakPolarHBondContact O-CA 3.45Å; C128-G131 PolarHBondContact O-N 3.03Å; C128-R132 HydrophobicContact CB-CG 3.93Å; C128-I176 WeakPolarHBondContact SG-CD1 3.22Å; C128-I176 PolarHBondContact SG-O 3.08Å
129P98.3Very high95.5Very high1 Ų142.2 Ų42.21%0.00621%0.206CC..THydrogen-bonded Turntrans-56.4-40.3-176-29.336.7000115L108 L110 F117 G131 F142 I151 R152 F155L108-P129 HydrophobicContact CD1-CB 4.07Å; L110-P129 HydrophobicContact CD1-CB 3.91Å; L110-P129 VanDerWaalsContact CD1-O 3.26Å; L110-P129 WeakPolarHBondContact CD1-O 3.33Å; F117-P129 WeakPolarHBondContact CD1-O 3.44Å; P129-G131 VanDerWaalsContact C-N 3.27Å; P129-G131 PolarHBondContact O-N 3.2Å; P129-F142 HydrophobicContact CB-CE2 4.16Å; P129-F142 HydrophobicContact CB-CZ 4.04Å; P129-F142 HydrophobicContact CG-CZ 4.31Å; P129-I151 HydrophobicContact CB-CG2 4.4Å; P129-R152 HydrophobicContact CG-CG 4.37Å; P129-F155 HydrophobicContact CG-CD1 4.05Å; P129-F155 HydrophobicContact CG-CE1 4.3Å
130V97.7Very high95.7Very high1 Ų143 Ų431%0.00621%0.212CC..THydrogen-bonded Turntrans-73.7-19.2175.164.70000112.6R112 K113 R114 C128 C134 F142 I176R112-V130 HydrophobicContact CB-CG2 4.38Å; K113-V130 CarbonylContact C-O 3.42Å; K113-V130 WeakPolarHBondContact CA-O 3.46Å; R114-V130 PolarHBondContact N-O 3.28Å; C128-V130 VanDerWaalsContact C-N 3.34Å; C128-V130 PolarHBondContact O-N 3.17Å; V130-C134 HydrophobicContact CG2-CB 4.39Å; V130-F142 HydrophobicContact CB-CB 4.13Å; V130-F142 HydrophobicContact CB-CD1 4.4Å; V130-F142 HydrophobicContact CB-CD2 3.7Å; V130-F142 HydrophobicContact CB-CE2 4.2Å; V130-F142 HydrophobicContact CB-CG 3.79Å; V130-F142 HydrophobicContact CG1-CB 4.29Å; V130-F142 HydrophobicContact CG1-CD1 4.13Å; V130-F142 HydrophobicContact CG1-CD2 4.32Å; V130-F142 HydrophobicContact CG1-CG 3.97Å; V130-F142 HydrophobicContact CG2-CB 4.11Å; V130-F142 HydrophobicContact CG2-CD2 4.32Å; V130-F142 HydrophobicContact CG2-CG 4.31Å; V130-I176 HydrophobicContact CG1-CB 3.87Å; V130-I176 HydrophobicContact CG1-CD1 3.92Å; V130-I176 HydrophobicContact CG1-CG1 4.4Å; V130-I176 HydrophobicContact CG1-CG2 4.26Å
131G97.7Very high95.9Very high0 Ų041.7 Ų41.70%021%0.207CC..  trans80.5143.1-17300000112.8R114 N116 C128 P129 S133 C134R114-G131 CarbonylContact O-C 3.49Å; R114-G131 WeakPolarHBondContact O-CA 3.38Å; N116-G131 CarbonylContact O-C 3.49Å; N116-G131 WeakPolarHBondContact O-CA 3.45Å; C128-G131 WeakPolarHBondContact O-CA 3.45Å; C128-G131 PolarHBondContact O-N 3.03Å; P129-G131 VanDerWaalsContact C-N 3.27Å; P129-G131 PolarHBondContact O-N 3.2Å; G131-S133 VanDerWaalsContact C-N 3.27Å; G131-S133 PolarHBondContact O-N 3.29Å; G131-C134 PolarHBondContact O-SG 2.86Å
132R95.1Very high96.3Very high70 Ų7037.6 Ų37.626%0.26419%0.192SC..THydrogen-bonded Turntrans-75.4-9.8-171.4-65.1177.26276.5-0.8114.5R114 N116 E119 N126 C128 C134R114-R132 PolarHBondContact O-N 2.81Å; N116-R132 HydrophobicContact CB-CB 4.29Å; N116-R132 PolarHBondContact O-N 2.97Å; E119-R132 IonicContact OE1-CZ 3.55Å; E119-R132 IonicContact OE1-NE 3.68Å; E119-R132 PolarHBondContact OE1-NE 3.46Å; E119-R132 IonicContact OE1-NH2 2.64Å; E119-R132 IonicContact OE2-CZ 2.61Å; E119-R132 IonicContact OE2-NE 3.17Å; E119-R132 PolarHBondContact OE2-NE 2.81Å; E119-R132 IonicContact OE2-NH1 3.1Å; E119-R132 IonicContact OE2-NH2 3.57Å; E119-R132 PolarHBondContact OE2-NH2 2.95Å; N126-R132 PolarHBondContact OD1-NH1 3.06Å; N126-R132 VanDerWaalsContact OD1-NH1 3.11Å; C128-R132 HydrophobicContact CB-CG 3.93Å; R132-C134 PolarHBondContact O-N 3.48Å
133S96.9Very high97Very high80 Ų8036.1 Ų36.156%0.55919%0.187SC*.THydrogen-bonded Turntrans-81.514.1178-45.60000112.9R114 G131R114-S133 VanDerWaalsContact O-CB 3.26Å; R114-S133 WeakPolarHBondContact O-CB 3.3Å; R114-S133 PolarHBondContact O-N 3.15Å; R114-S133 PolarHBondContact O-OG 2.76Å; G131-S133 VanDerWaalsContact C-N 3.27Å; G131-S133 PolarHBondContact O-N 3.29Å
134C96.5Very high97.4Very high13 Ų1342.1 Ų42.19%0.08822%0.215CC..  trans-79146.7178.753.60000112.6R114 V130 G131 R132 E138 R139R114-C134 HydrophobicContact CB-CB 3.98Å; R114-C134 HydrophobicContact CG-CB 3.95Å; V130-C134 HydrophobicContact CG2-CB 4.39Å; G131-C134 PolarHBondContact O-SG 2.86Å; R132-C134 PolarHBondContact O-N 3.48Å; C134-E138 VanDerWaalsContact CA-OE2 3.27Å; C134-E138 WeakPolarHBondContact CA-OE2 3.42Å; C134-E138 HydrophobicContact CB-CB 3.85Å; C134-R139 HydrophobicContact CB-CG 4.45Å; C134-R139 WeakPolarHBondContact SG-CG 3.41Å
135S97.3Very high97.6Very high56 Ų5643.6 Ų43.639%0.39222%0.219SC..  trans-70.9168.5168.873.10000111.7E137 E138 R139S135-E137 VanDerWaalsContact C-N 3.32Å; S135-E137 PolarHBondContact O-N 3.19Å; S135-E138 PolarHBondContact N-OE2 3.41Å; S135-E138 PolarHBondContact O-N 3.41Å; S135-E138 WeakPolarHBondContact OG-CG 3.2Å; S135-E138 PolarHBondContact OG-N 3.23Å; S135-R139 VanDerWaalsContact O-CG 3.31Å; S135-R139 WeakPolarHBondContact O-CG 3.24Å; S135-R139 PolarHBondContact O-N 2.96Å
136Q97.4Very high97.7Very high109 Ų10944.2 Ų44.251%0.50922%0.222SC..Hα-helixtrans-61.1-40.5176.1-173.757.650.300112.3E138 R139 D140Q136-E138 VanDerWaalsContact C-N 3.3Å; Q136-E138 PolarHBondContact O-N 3.05Å; Q136-R139 WeakPolarHBondContact O-CB 3.34Å; Q136-R139 PolarHBondContact O-N 3.36Å; Q136-R139 VanDerWaalsContact O-N 3.09Å; Q136-D140 PolarHBondContact NE2-OD1 3.07Å; Q136-D140 VanDerWaalsContact O-CG 3.26Å; Q136-D140 PolarHBondContact O-N 3.3Å
137E98.2Very high97.8Very high160 Ų16047.1 Ų47.175%0.74825%0.247SC*.Hα-helixtrans-58.8-42175.6-176.2-177.4175.900111.7S135 R139 D140 E141S135-E137 VanDerWaalsContact C-N 3.32Å; S135-E137 PolarHBondContact O-N 3.19Å; E137-R139 VanDerWaalsContact C-N 3.32Å; E137-R139 PolarHBondContact O-N 3.14Å; E137-D140 PolarHBondContact O-N 3Å; E137-E141 WeakPolarHBondContact O-CB 3.07Å; E137-E141 PolarHBondContact O-N 2.84Å
138E98.1Very high97.8Very high29 Ų2954.5 Ų54.514%0.13628%0.279CS..Hα-helixtrans-71.4-26.9177.7-66174.7145.500112.6R112 R114 C134 S135 Q136 F142R112-E138 HydrophobicContact CG-CG 4.1Å; R114-E138 IonicContact CZ-OE1 2.99Å; R114-E138 IonicContact NE-OE1 3.15Å; R114-E138 PolarHBondContact NE-OE1 3.39Å; R114-E138 IonicContact NE-OE2 3.45Å; R114-E138 PolarHBondContact NE-OE2 3.45Å; R114-E138 IonicContact NH2-OE1 3.47Å; R114-E138 PolarHBondContact NH2-OE1 3.39Å; C134-E138 VanDerWaalsContact CA-OE2 3.27Å; C134-E138 WeakPolarHBondContact CA-OE2 3.42Å; C134-E138 HydrophobicContact CB-CB 3.85Å; S135-E138 PolarHBondContact N-OE2 3.41Å; S135-E138 PolarHBondContact O-N 3.41Å; S135-E138 WeakPolarHBondContact OG-CG 3.2Å; S135-E138 PolarHBondContact OG-N 3.23Å; Q136-E138 VanDerWaalsContact C-N 3.3Å; Q136-E138 PolarHBondContact O-N 3.05Å; E138-F142 WeakPolarHBondContact O-CB 3.5Å; E138-F142 PolarHBondContact O-N 3.16Å
139R98.3Very high97.8Very high57 Ų5759 Ų5922%0.21530%0.3CS..Hα-helixtrans-68.4-42.2171.2-67.7173.8175.4-105.2-5.1111.2C134 S135 Q136 E137 F142 A143 Q175 I176C134-R139 HydrophobicContact CB-CG 4.45Å; C134-R139 WeakPolarHBondContact SG-CG 3.41Å; S135-R139 VanDerWaalsContact O-CG 3.31Å; S135-R139 WeakPolarHBondContact O-CG 3.24Å; S135-R139 PolarHBondContact O-N 2.96Å; Q136-R139 WeakPolarHBondContact O-CB 3.34Å; Q136-R139 PolarHBondContact O-N 3.36Å; Q136-R139 VanDerWaalsContact O-N 3.09Å; E137-R139 VanDerWaalsContact C-N 3.32Å; E137-R139 PolarHBondContact O-N 3.14Å; R139-F142 PolarHBondContact O-N 3.23Å; R139-A143 WeakPolarHBondContact O-CB 3.26Å; R139-A143 PolarHBondContact O-N 2.91Å; R139-Q175 PolarHBondContact O-NE2 2.95Å; R139-I176 HydrophobicContact CB-CG2 3.83Å; R139-I176 HydrophobicContact CG-CD1 4.09Å; R139-I176 HydrophobicContact CG-CG2 3.94Å; R139-I176 VanDerWaalsContact NH1-CD1 3.31Å
140D98.2Very high97.7Very high65 Ų6563.5 Ų63.535%0.34832%0.319SS..Hα-helixtrans-66.8-45.7177.4-60-24.2000110.3Q136 E137 F142 A143 E144 Q175Q136-D140 PolarHBondContact NE2-OD1 3.07Å; Q136-D140 VanDerWaalsContact O-CG 3.26Å; Q136-D140 PolarHBondContact O-N 3.3Å; E137-D140 PolarHBondContact O-N 3Å; D140-F142 VanDerWaalsContact C-N 3.34Å; D140-F142 PolarHBondContact O-N 3.24Å; D140-A143 PolarHBondContact O-N 3.34Å; D140-A143 VanDerWaalsContact O-N 3.12Å; D140-E144 PolarHBondContact O-N 3.11Å; D140-Q175 PolarHBondContact OD1-NE2 2.81Å
141E98.3Very high97.8Very high62 Ų6264.2 Ų64.229%0.2932%0.323SS..Hα-helixtrans-57.3-44.5174.1-171.6-175.2-148.800111.5P111 R112 E137 Y145P111-E141 VanDerWaalsContact CB-CD 3.49Å; P111-E141 HydrophobicContact CB-CG 3.77Å; P111-E141 HydrophobicContact CG-CG 4.2Å; R112-E141 VanDerWaalsContact CG-OE2 3.29Å; R112-E141 WeakPolarHBondContact CG-OE2 3.36Å; R112-E141 IonicContact CZ-OE1 2.65Å; R112-E141 IonicContact CZ-OE2 3.8Å; R112-E141 VanDerWaalsContact CZ-OE2 3.3Å; R112-E141 IonicContact NE-OE2 3.09Å; R112-E141 IonicContact NH1-OE1 3.89Å; R112-E141 PolarHBondContact NH1-OE1 3.47Å; R112-E141 IonicContact NH1-OE2 2.81Å; R112-E141 IonicContact NH2-OE1 2.73Å; R112-E141 PolarHBondContact NH2-OE1 2.9Å; R112-E141 IonicContact NH2-OE2 3.73Å; R112-E141 PolarHBondContact NH2-OE2 2.91Å; E137-E141 WeakPolarHBondContact O-CB 3.07Å; E137-E141 PolarHBondContact O-N 2.84Å; E141-Y145 WeakPolarHBondContact O-CB 3.16Å; E141-Y145 PolarHBondContact O-N 3.17Å
142F98.5Very high97.8Very high2 Ų265.4 Ų65.41%0.00933%0.327CS..Hα-helixtrans-66.1-41175.1177.4-97.2000112.4L110 P129 V130 E138 R139 D140 E144 Y145 D146 I151 R152 I176L110-F142 HydrophobicContact CD1-CD2 4.47Å; L110-F142 HydrophobicContact CD1-CE2 4.05Å; L110-F142 HydrophobicContact CD2-CE2 4.01Å; P129-F142 HydrophobicContact CB-CE2 4.16Å; P129-F142 HydrophobicContact CB-CZ 4.04Å; P129-F142 HydrophobicContact CG-CZ 4.31Å; V130-F142 HydrophobicContact CB-CB 4.13Å; V130-F142 HydrophobicContact CB-CD1 4.4Å; V130-F142 HydrophobicContact CB-CD2 3.7Å; V130-F142 HydrophobicContact CB-CE2 4.2Å; V130-F142 HydrophobicContact CB-CG 3.79Å; V130-F142 HydrophobicContact CG1-CB 4.29Å; V130-F142 HydrophobicContact CG1-CD1 4.13Å; V130-F142 HydrophobicContact CG1-CD2 4.32Å; V130-F142 HydrophobicContact CG1-CG 3.97Å; V130-F142 HydrophobicContact CG2-CB 4.11Å; V130-F142 HydrophobicContact CG2-CD2 4.32Å; V130-F142 HydrophobicContact CG2-CG 4.31Å; E138-F142 WeakPolarHBondContact O-CB 3.5Å; E138-F142 PolarHBondContact O-N 3.16Å; R139-F142 PolarHBondContact O-N 3.23Å; D140-F142 VanDerWaalsContact C-N 3.34Å; D140-F142 PolarHBondContact O-N 3.24Å; F142-E144 PolarHBondContact O-N 2.89Å; F142-Y145 PolarHBondContact O-N 2.99Å; F142-D146 HydrophobicContact CD1-CB 4.44Å; F142-D146 HydrophobicContact CE1-CB 4.07Å; F142-D146 HydrophobicContact CZ-CB 4.21Å; F142-D146 VanDerWaalsContact O-CB 3.22Å; F142-D146 WeakPolarHBondContact O-CB 3.45Å; F142-D146 PolarHBondContact O-N 3.03Å; F142-I151 HydrophobicContact CE2-CG2 4.5Å; F142-R152 HydrophobicContact CE1-CG 4.23Å; F142-R152 HydrophobicContact CZ-CG 4.07Å; F142-I176 HydrophobicContact CD1-CB 3.9Å; F142-I176 HydrophobicContact CD1-CG2 3.82Å; F142-I176 HydrophobicContact CE1-CB 4.19Å
143A98Very high97.9Very high24 Ų2467 Ų6720%0.19834%0.337CS..Hα-helixtrans-62.7-42.4179.700000111.9R139 D140 A147 Q175R139-A143 WeakPolarHBondContact O-CB 3.26Å; R139-A143 PolarHBondContact O-N 2.91Å; D140-A143 PolarHBondContact O-N 3.34Å; D140-A143 VanDerWaalsContact O-N 3.12Å; A143-A147 WeakPolarHBondContact O-CB 3.35Å; A143-A147 PolarHBondContact O-N 2.76Å; A143-Q175 HydrophobicContact CB-CG 3.7Å
144E98.3Very high98Very high126 Ų12666.6 Ų66.659%0.58933%0.329SS*.Hα-helixtrans-64.5-40.4174.2-70.7-174.8-16900112.3D140 F142 K148D140-E144 PolarHBondContact O-N 3.11Å; F142-E144 PolarHBondContact O-N 2.89Å; E144-K148 WeakPolarHBondContact O-CG 3.3Å; E144-K148 PolarHBondContact O-N 2.8Å
145Y98.4Very high98.1Very high59 Ų5966 Ų6623%0.23133%0.325CS..Hα-helixtrans-66.1-46.5176.8-171.9-92.2000111.6W109 L110 P111 E141 F142 A147 K148 H149 I151W109-Y145 PolarHBondContact O-OH 3Å; L110-Y145 HydrophobicContact CD2-CD1 4.38Å; L110-Y145 HydrophobicContact CD2-CE1 4.04Å; P111-Y145 HydrophobicContact CG-CD1 4.24Å; P111-Y145 HydrophobicContact CG-CD2 3.53Å; P111-Y145 HydrophobicContact CG-CE2 4.16Å; P111-Y145 HydrophobicContact CG-CG 3.57Å; E141-Y145 WeakPolarHBondContact O-CB 3.16Å; E141-Y145 PolarHBondContact O-N 3.17Å; F142-Y145 PolarHBondContact O-N 2.99Å; Y145-A147 VanDerWaalsContact C-N 3.34Å; Y145-A147 PolarHBondContact O-N 3.13Å; Y145-K148 PolarHBondContact O-N 2.79Å; Y145-H149 HydrophobicContact CD1-CB 4.31Å; Y145-H149 AromaticContact CD1-CD2 3.86Å; Y145-H149 AromaticContact CD2-CD2 3.46Å; Y145-H149 VanDerWaalsContact CD2-CD2 3.46Å; Y145-H149 WeakPolarHBondContact CD2-CD2 3.22Å; Y145-H149 AromaticContact CD2-NE2 3.86Å; Y145-H149 HydrophobicContact CE1-CB 4.08Å; Y145-H149 AromaticContact CE1-CD2 3.77Å; Y145-H149 AromaticContact CE2-CD2 3.34Å; Y145-H149 WeakPolarHBondContact CE2-CD2 3.48Å; Y145-H149 AromaticContact CE2-NE2 3.52Å; Y145-H149 AromaticContact CG-CD2 3.73Å; Y145-H149 AromaticContact CZ-CD2 3.51Å; Y145-H149 AromaticContact CZ-CG 3.97Å; Y145-H149 AromaticContact CZ-NE2 3.97Å; Y145-H149 WeakPolarHBondContact O-CB 3.26Å; Y145-H149 PolarHBondContact O-CD2 2.87Å; Y145-H149 VanDerWaalsContact O-CD2 3.25Å; Y145-H149 PolarHBondContact O-N 3.41Å; Y145-I151 HydrophobicContact CD1-CG1 4.02Å; Y145-I151 HydrophobicContact CE1-CD1 3.97Å; Y145-I151 HydrophobicContact CE1-CG1 3.93Å
146D98.3Very high98.1Very high13 Ų1363.8 Ų63.87%0.0731%0.309CS..Hα-helixtrans-63.4-37.7177.9-179.262.1000112.2F142 K148 H149 K150 I151 R152F142-D146 HydrophobicContact CD1-CB 4.44Å; F142-D146 HydrophobicContact CE1-CB 4.07Å; F142-D146 HydrophobicContact CZ-CB 4.21Å; F142-D146 VanDerWaalsContact O-CB 3.22Å; F142-D146 WeakPolarHBondContact O-CB 3.45Å; F142-D146 PolarHBondContact O-N 3.03Å; D146-K148 PolarHBondContact O-N 2.87Å; D146-H149 PolarHBondContact O-N 3.02Å; D146-K150 VanDerWaalsContact O-CA 3.27Å; D146-K150 WeakPolarHBondContact O-CA 3.33Å; D146-K150 PolarHBondContact O-N 3.48Å; D146-I151 WeakPolarHBondContact OD1-CA 3.4Å; D146-I151 WeakPolarHBondContact OD1-CB 3.37Å; D146-I151 PolarHBondContact OD1-N 3.29Å; D146-I151 VanDerWaalsContact OD1-N 3.08Å; D146-R152 PolarHBondContact OD1-N 3.01Å; D146-R152 IonicContact OD1-NE 3.58Å; D146-R152 IonicContact OD2-CZ 2.9Å; D146-R152 IonicContact OD2-NE 2.76Å; D146-R152 PolarHBondContact OD2-NE 3.46Å; D146-R152 IonicContact OD2-NH2 3.16Å; D146-R152 PolarHBondContact OD2-NH2 3.09Å
147A97.7Very high98.2Very high63 Ų6364 Ų6452%0.52131%0.311SS..Hα-helixtrans-60-36174.900000112.6A143 Y145A143-A147 WeakPolarHBondContact O-CB 3.35Å; A143-A147 PolarHBondContact O-N 2.76Å; Y145-A147 VanDerWaalsContact C-N 3.34Å; Y145-A147 PolarHBondContact O-N 3.13Å
148K97.8Very high98.2Very high155 Ų15561.7 Ų61.767%0.67430%0.299SS*.Hα-helixtrans-83.6-40.8179.7-66.8171.3-172.61680112.9E144 Y145 D146E144-K148 WeakPolarHBondContact O-CG 3.3Å; E144-K148 PolarHBondContact O-N 2.8Å; Y145-K148 PolarHBondContact O-N 2.79Å; D146-K148 PolarHBondContact O-N 2.87Å
149H98.2Very high98.2Very high95 Ų9560.3 Ų60.344%0.4429%0.293SS..Hα-helixtrans-105.6-3.1-170-64.7-73.2000114.5Y145 D146 I151Y145-H149 HydrophobicContact CD1-CB 4.31Å; Y145-H149 AromaticContact CD1-CD2 3.86Å; Y145-H149 AromaticContact CD2-CD2 3.46Å; Y145-H149 VanDerWaalsContact CD2-CD2 3.46Å; Y145-H149 WeakPolarHBondContact CD2-CD2 3.22Å; Y145-H149 AromaticContact CD2-NE2 3.86Å; Y145-H149 HydrophobicContact CE1-CB 4.08Å; Y145-H149 AromaticContact CE1-CD2 3.77Å; Y145-H149 AromaticContact CE2-CD2 3.34Å; Y145-H149 WeakPolarHBondContact CE2-CD2 3.48Å; Y145-H149 AromaticContact CE2-NE2 3.52Å; Y145-H149 AromaticContact CG-CD2 3.73Å; Y145-H149 AromaticContact CZ-CD2 3.51Å; Y145-H149 AromaticContact CZ-CG 3.97Å; Y145-H149 AromaticContact CZ-NE2 3.97Å; Y145-H149 WeakPolarHBondContact O-CB 3.26Å; Y145-H149 PolarHBondContact O-CD2 2.87Å; Y145-H149 VanDerWaalsContact O-CD2 3.25Å; Y145-H149 PolarHBondContact O-N 3.41Å; D146-H149 PolarHBondContact O-N 3.02Å; H149-I151 HydrophobicContact CB-CD1 3.9Å; H149-I151 HydrophobicContact CB-CG1 4.12Å; H149-I151 PolarHBondContact O-N 3.3Å
150K97.8Very high98.1Very high94 Ų9464.4 Ų64.441%0.40931%0.308SS..  trans56.930.8174.1-55.7-54.6-168.5174.20115D146 R152 E153 D154D146-K150 VanDerWaalsContact O-CA 3.27Å; D146-K150 WeakPolarHBondContact O-CA 3.33Å; D146-K150 PolarHBondContact O-N 3.48Å; K150-R152 PolarHBondContact O-N 2.98Å; K150-E153 HydrophobicContact CB-CB 4.3Å; K150-E153 IonicContact NZ-OE2 3Å; K150-E153 PolarHBondContact O-N 3.37Å; K150-D154 WeakPolarHBondContact O-CB 3.34Å; K150-D154 PolarHBondContact O-N 3.08Å
151I98.4Very high98.1Very high17 Ų1765.5 Ų65.59%0.08732%0.321CS..Hα-helixtrans-52.8-51.4-173.8-57.2-57.8000112.3L108 L110 P129 F142 Y145 D146 H149 F155L108-I151 HydrophobicContact CD1-CG2 3.81Å; L108-I151 HydrophobicContact CD2-CG2 4.27Å; L110-I151 HydrophobicContact CD2-CD1 4.32Å; L110-I151 HydrophobicContact CD2-CG1 4.06Å; L110-I151 HydrophobicContact CD2-CG2 4.02Å; P129-I151 HydrophobicContact CB-CG2 4.4Å; F142-I151 HydrophobicContact CE2-CG2 4.5Å; Y145-I151 HydrophobicContact CD1-CG1 4.02Å; Y145-I151 HydrophobicContact CE1-CD1 3.97Å; Y145-I151 HydrophobicContact CE1-CG1 3.93Å; D146-I151 WeakPolarHBondContact OD1-CA 3.4Å; D146-I151 WeakPolarHBondContact OD1-CB 3.37Å; D146-I151 PolarHBondContact OD1-N 3.29Å; D146-I151 VanDerWaalsContact OD1-N 3.08Å; H149-I151 HydrophobicContact CB-CD1 3.9Å; H149-I151 HydrophobicContact CB-CG1 4.12Å; H149-I151 PolarHBondContact O-N 3.3Å; I151-F155 VanDerWaalsContact O-CB 3.22Å; I151-F155 WeakPolarHBondContact O-CB 3.27Å; I151-F155 PolarHBondContact O-N 3.28Å
152R98.3Very high98Very high24 Ų2468.1 Ų68.19%0.09133%0.333CS..Hα-helixtrans-73.8-34.7-177.4-65.6-178.3-68.4167.8-3.5112.5P129 F142 D146 K150 F155 V156 I172 G174 Q175 S177 I178P129-R152 HydrophobicContact CG-CG 4.37Å; F142-R152 HydrophobicContact CE1-CG 4.23Å; F142-R152 HydrophobicContact CZ-CG 4.07Å; D146-R152 PolarHBondContact OD1-N 3.01Å; D146-R152 IonicContact OD1-NE 3.58Å; D146-R152 IonicContact OD2-CZ 2.9Å; D146-R152 IonicContact OD2-NE 2.76Å; D146-R152 PolarHBondContact OD2-NE 3.46Å; D146-R152 IonicContact OD2-NH2 3.16Å; D146-R152 PolarHBondContact OD2-NH2 3.09Å; K150-R152 PolarHBondContact O-N 2.98Å; R152-F155 PolarHBondContact O-N 2.82Å; R152-V156 WeakPolarHBondContact O-CB 3.35Å; R152-V156 VanDerWaalsContact O-CG2 3.29Å; R152-V156 WeakPolarHBondContact O-CG2 3.45Å; R152-V156 PolarHBondContact O-N 2.9Å; R152-I172 HydrophobicContact CB-CD1 3.54Å; R152-I172 VanDerWaalsContact NH1-CG2 3.33Å; R152-G174 PolarHBondContact NH1-O 2.95Å; R152-Q175 VanDerWaalsContact CZ-O 3.27Å; R152-Q175 VanDerWaalsContact NH1-C 3.28Å; R152-Q175 PolarHBondContact NH1-O 2.81Å; R152-Q175 PolarHBondContact NH2-O 2.83Å; R152-S177 WeakPolarHBondContact CD-O 3.4Å; R152-S177 PolarHBondContact NH1-O 3.43Å; R152-I178 HydrophobicContact CB-CD1 4.13Å; R152-I178 HydrophobicContact CB-CG1 4.05Å; R152-I178 HydrophobicContact CG-CD1 4.34Å; R152-I178 HydrophobicContact CG-CG1 4.17Å
153E97.8Very high98Very high104 Ų10468.9 Ų68.949%0.48634%0.336SS..Hα-helixtrans-65.3-48.9178.2-172.6179.1150.600110.8K150 F155 V156 M157K150-E153 HydrophobicContact CB-CB 4.3Å; K150-E153 IonicContact NZ-OE2 3Å; K150-E153 PolarHBondContact O-N 3.37Å; E153-F155 VanDerWaalsContact C-N 3.3Å; E153-F155 PolarHBondContact O-N 2.95Å; E153-V156 PolarHBondContact O-N 2.71Å; E153-M157 PolarHBondContact O-N 3.48Å
154D98.3Very high97.8Very high72 Ų7273.5 Ų73.539%0.38536%0.358SS..Hα-helixtrans-61.6-39.8175-72.3-13.7000111.5K150 M157 K158K150-D154 WeakPolarHBondContact O-CB 3.34Å; K150-D154 PolarHBondContact O-N 3.08Å; D154-M157 PolarHBondContact O-N 3.29Å; D154-K158 WeakPolarHBondContact O-CG 3.36Å; D154-K158 PolarHBondContact O-N 2.9Å
155F98.5Very high97.6Very high0 Ų073.4 Ų73.40%037%0.371CS..Hα-helixtrans-65.9-44.6177.5-164.8-176.1000111.5F100 C101 Y104 M105 V127 P129 I151 R152 E153 M157 K158 M159 I178F100-F155 HydrophobicContact CD1-CE2 4.48Å; F100-F155 HydrophobicContact CE1-CD2 4.4Å; F100-F155 AromaticContact CE1-CE2 3.85Å; F100-F155 HydrophobicContact CE1-CE2 3.85Å; C101-F155 HydrophobicContact CB-CZ 4.08Å; Y104-F155 HydrophobicContact CD1-CB 4.3Å; Y104-F155 AromaticContact CD1-CD1 3.85Å; Y104-F155 HydrophobicContact CD1-CD1 3.85Å; Y104-F155 AromaticContact CD1-CD2 3.21Å; Y104-F155 HydrophobicContact CD1-CD2 3.21Å; Y104-F155 AromaticContact CD1-CE1 3.88Å; Y104-F155 HydrophobicContact CD1-CE1 3.88Å; Y104-F155 AromaticContact CD1-CE2 3.24Å; Y104-F155 HydrophobicContact CD1-CE2 3.24Å; Y104-F155 AromaticContact CD1-CG 3.54Å; Y104-F155 HydrophobicContact CD1-CG 3.54Å; Y104-F155 AromaticContact CD1-CZ 3.58Å; Y104-F155 HydrophobicContact CD1-CZ 3.58Å; Y104-F155 HydrophobicContact CD2-CD2 4.11Å; Y104-F155 HydrophobicContact CD2-CE2 4.19Å; Y104-F155 HydrophobicContact CE1-CB 3.61Å; Y104-F155 AromaticContact CE1-CD1 3.92Å; Y104-F155 HydrophobicContact CE1-CD1 3.92Å; Y104-F155 AromaticContact CE1-CD2 3.38Å; Y104-F155 HydrophobicContact CE1-CD2 3.38Å; Y104-F155 HydrophobicContact CE1-CE1 4.41Å; Y104-F155 AromaticContact CE1-CE2 3.94Å; Y104-F155 HydrophobicContact CE1-CE2 3.94Å; Y104-F155 AromaticContact CE1-CG 3.37Å; Y104-F155 HydrophobicContact CE1-CG 3.37Å; Y104-F155 HydrophobicContact CE1-CZ 4.41Å; Y104-F155 HydrophobicContact CE2-CD2 4.26Å; Y104-F155 AromaticContact CG-CD2 3.59Å; Y104-F155 HydrophobicContact CG-CD2 3.59Å; Y104-F155 AromaticContact CG-CE2 3.38Å; Y104-F155 HydrophobicContact CG-CE2 3.38Å; Y104-F155 HydrophobicContact CG-CG 4.37Å; Y104-F155 AromaticContact CG-CZ 4Å; Y104-F155 HydrophobicContact CG-CZ 4Å; Y104-F155 AromaticContact CZ-CD2 3.91Å; M105-F155 HydrophobicContact CG-CE1 3.61Å; M105-F155 HydrophobicContact CG-CZ 3.9Å; M105-F155 HydrophobicContact SD-CE1 4.09Å; V127-F155 HydrophobicContact CG1-CE1 3.79Å; V127-F155 HydrophobicContact CG1-CZ 4.19Å; P129-F155 HydrophobicContact CG-CD1 4.05Å; P129-F155 HydrophobicContact CG-CE1 4.3Å; I151-F155 VanDerWaalsContact O-CB 3.22Å; I151-F155 WeakPolarHBondContact O-CB 3.27Å; I151-F155 PolarHBondContact O-N 3.28Å; R152-F155 PolarHBondContact O-N 2.82Å; E153-F155 VanDerWaalsContact C-N 3.3Å; E153-F155 PolarHBondContact O-N 2.95Å; F155-M157 VanDerWaalsContact C-N 3.31Å; F155-M157 PolarHBondContact O-N 3.23Å; F155-K158 PolarHBondContact O-N 3.41Å; F155-M159 HydrophobicContact CD1-CE 3.9Å; F155-M159 HydrophobicContact CD2-CE 3.6Å; F155-M159 HydrophobicContact CD2-CG 4.08Å; F155-M159 HydrophobicContact CE1-CE 3.67Å; F155-M159 HydrophobicContact CE2-CE 3.34Å; F155-M159 HydrophobicContact CE2-CG 4.18Å; F155-M159 HydrophobicContact CG-CE 3.87Å; F155-M159 HydrophobicContact CZ-CE 3.39Å; F155-M159 WeakPolarHBondContact O-CG 3.32Å; F155-M159 PolarHBondContact O-N 3.19Å; F155-I178 HydrophobicContact CB-CD1 3.92Å; F155-I178 HydrophobicContact CD1-CD1 3.57Å; F155-I178 HydrophobicContact CE1-CD1 4.37Å; F155-I178 HydrophobicContact CG-CD1 3.92Å
156V98.1Very high97.5Very high10 Ų1071.3 Ų71.36%0.06137%0.365CS..Hα-helixtrans-59.8-41.9173.7164.90000111.1R152 E153 K158 M159 R160 F170 I172 I178R152-V156 WeakPolarHBondContact O-CB 3.35Å; R152-V156 VanDerWaalsContact O-CG2 3.29Å; R152-V156 WeakPolarHBondContact O-CG2 3.45Å; R152-V156 PolarHBondContact O-N 2.9Å; E153-V156 PolarHBondContact O-N 2.71Å; V156-K158 VanDerWaalsContact C-N 3.32Å; V156-K158 PolarHBondContact O-N 2.75Å; V156-M159 PolarHBondContact O-N 2.86Å; V156-R160 HydrophobicContact CG1-CG 4.43Å; V156-R160 WeakPolarHBondContact O-CG 3.31Å; V156-R160 PolarHBondContact O-N 2.73Å; V156-F170 HydrophobicContact CG1-CB 4.06Å; V156-F170 HydrophobicContact CG2-CB 4.39Å; V156-I172 HydrophobicContact CG2-CD1 3.84Å; V156-I178 HydrophobicContact CG2-CB 4.45Å; V156-I178 HydrophobicContact CG2-CD1 3.98Å; V156-I178 HydrophobicContact CG2-CG1 3.98Å; V156-I178 HydrophobicContact CG2-CG2 3.61Å
157M97.8Very high97.3Very high113 Ų11373.2 Ų73.256%0.55738%0.378SS*.Hα-helixtrans-60.6-42.9176.9-170.4-172.8-54.800111.6E153 D154 F155 R160 S161E153-M157 PolarHBondContact O-N 3.48Å; D154-M157 PolarHBondContact O-N 3.29Å; F155-M157 VanDerWaalsContact C-N 3.31Å; F155-M157 PolarHBondContact O-N 3.23Å; M157-R160 PolarHBondContact O-N 3.49Å; M157-S161 PolarHBondContact O-N 3.01Å
158K98.3Very high97.2Very high112 Ų11270.4 Ų70.449%0.48735%0.354SS..Hα-helixtrans-67.8-42.1175.9-68.8-68.9-175.3-175.20112.4F100 Y104 D154 F155 V156 R160 S161 E162F100-K158 HydrophobicContact CZ-CB 4.03Å; Y104-K158 HydrophobicContact CE2-CB 4.13Å; Y104-K158 HydrophobicContact CE2-CG 3.92Å; D154-K158 WeakPolarHBondContact O-CG 3.36Å; D154-K158 PolarHBondContact O-N 2.9Å; F155-K158 PolarHBondContact O-N 3.41Å; V156-K158 VanDerWaalsContact C-N 3.32Å; V156-K158 PolarHBondContact O-N 2.75Å; K158-R160 VanDerWaalsContact C-N 3.32Å; K158-R160 PolarHBondContact O-N 2.87Å; K158-S161 PolarHBondContact O-N 3.47Å; K158-E162 WeakPolarHBondContact O-CG 3.29Å; K158-E162 PolarHBondContact O-N 3.3Å
159M98.4Very high97Very high0 Ų065.7 Ų65.70%034%0.335CS..Hα-helixtrans-56.8-46.5172.9-71.3179.9-174.200111.3F97 F100 V127 F155 V156 S161 E162 F163 F170 I178 V180F97-M159 HydrophobicContact CE2-CE 4.41Å; F97-M159 HydrophobicContact CE2-CG 4.21Å; F97-M159 HydrophobicContact CE2-SD 4.01Å; F97-M159 HydrophobicContact CZ-CE 4.22Å; F97-M159 HydrophobicContact CZ-SD 4.14Å; F100-M159 HydrophobicContact CD1-CG 4.47Å; F100-M159 HydrophobicContact CE1-CB 4.48Å; F100-M159 HydrophobicContact CE1-CG 3.77Å; V127-M159 HydrophobicContact CB-CE 4.32Å; V127-M159 HydrophobicContact CG1-CE 4.04Å; V127-M159 HydrophobicContact CG2-CE 4.35Å; F155-M159 HydrophobicContact CD1-CE 3.9Å; F155-M159 HydrophobicContact CD2-CE 3.6Å; F155-M159 HydrophobicContact CD2-CG 4.08Å; F155-M159 HydrophobicContact CE1-CE 3.67Å; F155-M159 HydrophobicContact CE2-CE 3.34Å; F155-M159 HydrophobicContact CE2-CG 4.18Å; F155-M159 HydrophobicContact CG-CE 3.87Å; F155-M159 HydrophobicContact CZ-CE 3.39Å; F155-M159 WeakPolarHBondContact O-CG 3.32Å; F155-M159 PolarHBondContact O-N 3.19Å; V156-M159 PolarHBondContact O-N 2.86Å; M159-S161 PolarHBondContact O-N 2.88Å; M159-E162 PolarHBondContact O-N 3.1Å; M159-F163 WeakPolarHBondContact O-CB 3.48Å; M159-F163 PolarHBondContact O-N 2.76Å; M159-F170 HydrophobicContact CB-CD1 3.75Å; M159-F170 HydrophobicContact CB-CD2 4.1Å; M159-F170 HydrophobicContact CB-CE1 3.76Å; M159-F170 HydrophobicContact CB-CE2 4.09Å; M159-F170 HydrophobicContact CB-CG 3.94Å; M159-F170 HydrophobicContact CB-CZ 3.94Å; M159-F170 HydrophobicContact CG-CD1 4.23Å; M159-F170 HydrophobicContact CG-CE1 4.29Å; M159-F170 HydrophobicContact SD-CD1 3.55Å; M159-F170 VanDerWaalsContact SD-CD1 3.55Å; M159-F170 HydrophobicContact SD-CE1 4.01Å; M159-F170 HydrophobicContact SD-CG 4.26Å; M159-I178 HydrophobicContact CE-CD1 4.09Å; M159-I178 HydrophobicContact CE-CG2 4.48Å; M159-I178 HydrophobicContact SD-CG2 4.13Å; M159-V180 HydrophobicContact SD-CG2 4.27Å
160R97.2Very high96.9Very high143 Ų14361.6 Ų61.654%0.5432%0.316SS..Hα-helixtrans-59.1-46.6177.2-73.7174-176.8-173.40.7111.7V156 M157 K158 E162 D164 F170V156-R160 HydrophobicContact CG1-CG 4.43Å; V156-R160 WeakPolarHBondContact O-CG 3.31Å; V156-R160 PolarHBondContact O-N 2.73Å; M157-R160 PolarHBondContact O-N 3.49Å; K158-R160 VanDerWaalsContact C-N 3.32Å; K158-R160 PolarHBondContact O-N 2.87Å; R160-E162 PolarHBondContact O-N 3.43Å; R160-D164 WeakPolarHBondContact O-CA 3.28Å; R160-D164 VanDerWaalsContact O-CB 3.29Å; R160-D164 WeakPolarHBondContact O-CB 3.41Å; R160-D164 PolarHBondContact O-N 3.05Å; R160-F170 HydrophobicContact CG-CD2 3.67Å; R160-F170 HydrophobicContact CG-CE2 4.28Å; R160-F170 PolarHBondContact NH2-O 2.68Å
161S97.5Very high96.6Very high88 Ų8858.9 Ų58.962%0.61531%0.31SS*.Hα-helixtrans-62.1-41179.6-172.90000113.2M157 K158 M159M157-S161 PolarHBondContact O-N 3.01Å; K158-S161 PolarHBondContact O-N 3.47Å; M159-S161 PolarHBondContact O-N 2.88Å
162E97.7Very high96.4Very high117 Ų11762.1 Ų62.155%0.54733%0.327SS..Hα-helixtrans-82.1-27.3-175.7-64.8-64.6154.200112.9F100 K158 M159 R160F100-E162 HydrophobicContact CD2-CG 4.18Å; F100-E162 HydrophobicContact CE2-CB 4.28Å; F100-E162 HydrophobicContact CE2-CG 3.59Å; F100-E162 HydrophobicContact CZ-CG 4Å; K158-E162 WeakPolarHBondContact O-CG 3.29Å; K158-E162 PolarHBondContact O-N 3.3Å; M159-E162 PolarHBondContact O-N 3.1Å; R160-E162 PolarHBondContact O-N 3.43Å
163F97.3Very high95.9Very high18 Ų1861.1 Ų61.18%0.07932%0.324CS..Hα-helixtrans-12019.9-173.1-67.5-89.3000113.5R96 F97 F100 M159 S165 S166 L168 F170R96-F163 HydrophobicContact CB-CE1 4.3Å; F97-F163 HydrophobicContact CB-CD1 4.5Å; F97-F163 HydrophobicContact CB-CE1 3.81Å; F97-F163 HydrophobicContact CB-CZ 3.97Å; F97-F163 HydrophobicContact CD2-CD1 4.4Å; F97-F163 HydrophobicContact CD2-CD2 4.13Å; F97-F163 HydrophobicContact CD2-CE1 4.23Å; F97-F163 AromaticContact CD2-CE2 3.97Å; F97-F163 HydrophobicContact CD2-CE2 3.97Å; F97-F163 HydrophobicContact CD2-CG 4.38Å; F97-F163 HydrophobicContact CD2-CZ 4.05Å; F100-F163 HydrophobicContact CB-CE2 3.85Å; F100-F163 HydrophobicContact CB-CZ 3.96Å; F100-F163 AromaticContact CD1-CE2 3.71Å; F100-F163 HydrophobicContact CD1-CE2 3.71Å; F100-F163 HydrophobicContact CD2-CE2 4.37Å; F100-F163 HydrophobicContact CE1-CE2 4.39Å; F100-F163 AromaticContact CG-CE2 3.7Å; F100-F163 HydrophobicContact CG-CE2 3.7Å; F100-F163 HydrophobicContact CG-CZ 4.32Å; M159-F163 WeakPolarHBondContact O-CB 3.48Å; M159-F163 PolarHBondContact O-N 2.76Å; F163-S165 VanDerWaalsContact C-N 3.26Å; F163-S165 PolarHBondContact O-N 2.71Å; F163-S166 WeakPolarHBondContact O-CB 3.46Å; F163-S166 PolarHBondContact O-N 3Å; F163-S166 PolarHBondContact O-OG 2.83Å; F163-L168 HydrophobicContact CD1-CD1 4.34Å; F163-F170 HydrophobicContact CB-CE2 4.26Å; F163-F170 HydrophobicContact CB-CZ 3.74Å; F163-F170 HydrophobicContact CG-CZ 4.4Å
164D94Very high95.4Very high121 Ų12159.4 Ų59.465%0.64734%0.335SS*.THydrogen-bonded Turntrans-54.9-41.4-178.6-171.849.8000112.7R160 S166 K183R160-D164 WeakPolarHBondContact O-CA 3.28Å; R160-D164 VanDerWaalsContact O-CB 3.29Å; R160-D164 WeakPolarHBondContact O-CB 3.41Å; R160-D164 PolarHBondContact O-N 3.05Å; D164-S166 PolarHBondContact O-N 2.75Å; D164-K183 PolarHBondContact O-NZ 2.9Å
165S94.3Very high95.2Very high123 Ų12359.1 Ų59.186%0.8633%0.331SS*.THydrogen-bonded Turntrans-76.7-5.9178.461.70000114.2F163F163-S165 VanDerWaalsContact C-N 3.26Å; F163-S165 PolarHBondContact O-N 2.71Å
166S95.2Very high95.1Very high15 Ų1559.2 Ų59.211%0.10533%0.332CS..SBendtrans-86.5166.2179.387.40000111.5F163 D164 L168 K183F163-S166 WeakPolarHBondContact O-CB 3.46Å; F163-S166 PolarHBondContact O-N 3Å; F163-S166 PolarHBondContact O-OG 2.83Å; D164-S166 PolarHBondContact O-N 2.75Å; S166-L168 PolarHBondContact O-N 2.82Å; S166-L168 WeakPolarHBondContact OG-CB 3.39Å; S166-L168 PolarHBondContact OG-N 3.19Å; S166-K183 PolarHBondContact O-NZ 2.84Å; S166-K183 VanDerWaalsContact O-NZ 3.1Å
167P94.1Very high95Very high54 Ų5459.2 Ų59.235%0.35133%0.332SS..SBendtrans-73.5-2.7171.132.3-36.1000112.8V89 P182 K183V89-P167 HydrophobicContact CG2-CG 4.46Å; P167-P182 CarbonylContact O-C 3.49Å; P167-P182 VanDerWaalsContact O-CA 3.24Å; P167-P182 WeakPolarHBondContact O-CA 3.48Å; P167-K183 WeakPolarHBondContact O-CG 3.23Å; P167-K183 PolarHBondContact O-N 3.42Å
168L96.5Very high95Very high3 Ų353.9 Ų53.92%0.01631%0.306CS..EExtended strand (participates in β ladder)trans-77.6146.6-174.3-57177.1000112.4V89 T93 F97 F163 S166 F170 V180V89-L168 HydrophobicContact CG1-CD2 4.32Å; V89-L168 HydrophobicContact CG2-CD2 4.12Å; T93-L168 HydrophobicContact CG2-CD1 4.43Å; F97-L168 HydrophobicContact CB-CD1 4.12Å; F97-L168 HydrophobicContact CD2-CD1 3.9Å; F97-L168 HydrophobicContact CG-CD1 3.89Å; F163-L168 HydrophobicContact CD1-CD1 4.34Å; S166-L168 PolarHBondContact O-N 2.82Å; S166-L168 WeakPolarHBondContact OG-CB 3.39Å; S166-L168 PolarHBondContact OG-N 3.19Å; L168-F170 HydrophobicContact CB-CE1 4.03Å; L168-F170 HydrophobicContact CB-CE2 4.44Å; L168-F170 HydrophobicContact CB-CZ 3.7Å; L168-V180 HydrophobicContact CB-CG1 4.23Å; L168-V180 HydrophobicContact CD1-CG1 4.25Å; L168-V180 HydrophobicContact CD2-CG1 4.26Å; L168-V180 HydrophobicContact CG-CG1 4.48Å
169Q94.5Very high94.9Very high57 Ų5750.1 Ų50.127%0.26629%0.291SS..EExtended strand (participates in β ladder)trans-129.4148.4173.7-177.6170-21.800108.5V180 F181 K183Q169-V180 WeakPolarHBondContact O-CA 3.44Å; Q169-F181 WeakPolarHBondContact CA-O 3.42Å; Q169-F181 HydrophobicContact CB-CD2 4.27Å; Q169-F181 HydrophobicContact CB-CE2 4.07Å; Q169-F181 WeakPolarHBondContact CB-O 3.29Å; Q169-F181 HydrophobicContact CG-CE2 3.94Å; Q169-F181 HydrophobicContact CG-CZ 4.21Å; Q169-F181 PolarHBondContact N-O 2.84Å; Q169-F181 PolarHBondContact O-N 3.18Å; Q169-K183 HydrophobicContact CB-CG 4.05Å
170F95Very high94.8Very high9 Ų950.1 Ų50.14%0.03929%0.291CS..EExtended strand (participates in β ladder)trans-129.5126.4-169.4-45.7-80.1000110F97 V156 M159 R160 F163 L168 V180F97-F170 HydrophobicContact CD2-CE1 4.28Å; F97-F170 HydrophobicContact CE2-CD1 4.39Å; F97-F170 AromaticContact CE2-CE1 3.61Å; F97-F170 HydrophobicContact CE2-CE1 3.61Å; F97-F170 HydrophobicContact CE2-CZ 4.48Å; F97-F170 HydrophobicContact CZ-CE1 4.26Å; V156-F170 HydrophobicContact CG1-CB 4.06Å; V156-F170 HydrophobicContact CG2-CB 4.39Å; M159-F170 HydrophobicContact CB-CD1 3.75Å; M159-F170 HydrophobicContact CB-CD2 4.1Å; M159-F170 HydrophobicContact CB-CE1 3.76Å; M159-F170 HydrophobicContact CB-CE2 4.09Å; M159-F170 HydrophobicContact CB-CG 3.94Å; M159-F170 HydrophobicContact CB-CZ 3.94Å; M159-F170 HydrophobicContact CG-CD1 4.23Å; M159-F170 HydrophobicContact CG-CE1 4.29Å; M159-F170 HydrophobicContact SD-CD1 3.55Å; M159-F170 VanDerWaalsContact SD-CD1 3.55Å; M159-F170 HydrophobicContact SD-CE1 4.01Å; M159-F170 HydrophobicContact SD-CG 4.26Å; R160-F170 HydrophobicContact CG-CD2 3.67Å; R160-F170 HydrophobicContact CG-CE2 4.28Å; R160-F170 PolarHBondContact NH2-O 2.68Å; F163-F170 HydrophobicContact CB-CE2 4.26Å; F163-F170 HydrophobicContact CB-CZ 3.74Å; F163-F170 HydrophobicContact CG-CZ 4.4Å; L168-F170 HydrophobicContact CB-CE1 4.03Å; L168-F170 HydrophobicContact CB-CE2 4.44Å; L168-F170 HydrophobicContact CB-CZ 3.7Å; F170-V180 HydrophobicContact CD1-CB 4.2Å; F170-V180 HydrophobicContact CD1-CG1 3.68Å; F170-V180 HydrophobicContact CD1-CG2 3.66Å; F170-V180 HydrophobicContact CE1-CB 4.47Å; F170-V180 HydrophobicContact CE1-CG1 3.53Å; F170-V180 HydrophobicContact CE1-CG2 4.2Å
171A91.7Very high94.7Very high36 Ų3644.2 Ų44.230%0.29827%0.269SS..EExtended strand (participates in β ladder)trans-130.5147.4177.100000111.1G173 I178 D179 F181A171-G173 PolarHBondContact O-N 2.79Å; A171-I178 CarbonylContact O-C 3.55Å; A171-I178 VanDerWaalsContact O-CA 3.29Å; A171-I178 WeakPolarHBondContact O-CA 2.98Å; A171-I178 WeakPolarHBondContact O-CG2 3.43Å; A171-D179 PolarHBondContact N-O 3.43Å; A171-D179 PolarHBondContact O-N 3.21Å; A171-F181 HydrophobicContact CB-CE1 3.87Å; A171-F181 HydrophobicContact CB-CZ 4.09Å
172I93.1Very high94.5Very high85 Ų8540 Ų4044%0.43624%0.24SC..EExtended strand (participates in β ladder)trans-68.1115.8170.4-60.1-65.3000108.1R152 V156 I178R152-I172 HydrophobicContact CB-CD1 3.54Å; R152-I172 VanDerWaalsContact NH1-CG2 3.33Å; V156-I172 HydrophobicContact CG2-CD1 3.84Å; I172-I178 HydrophobicContact CD1-CG1 4.42Å
173G88.6Confident94.3Very high3 Ų339.8 Ų39.83%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-101.6111.9-175.400000111.8A171 S177 D179A171-G173 PolarHBondContact O-N 2.79Å; G173-S177 CarbonylContact C-O 3.35Å; G173-S177 WeakPolarHBondContact CA-O 3.12Å; G173-S177 PolarHBondContact N-O 3.04Å; G173-S177 CarbonylContact O-C 3.58Å; G173-S177 WeakPolarHBondContact O-CA 3.36Å; G173-S177 PolarHBondContact O-N 2.86Å; G173-S177 PolarHBondContact O-OG 2.72Å; G173-D179 WeakPolarHBondContact CA-OD2 2.92Å
174G87.7Confident93.9Very high69 Ų6940 Ų4071%0.71125%0.245SC*.THydrogen-bonded Turntrans53.9-146176.300000113.8R152R152-G174 PolarHBondContact NH1-O 2.95Å
175Q93.1Very high94Very high66 Ų6634.8 Ų34.831%0.30822%0.216SC..THydrogen-bonded Turntrans-77.4-31.4-174-173.9177.319.200113.9R139 D140 A143 R152R139-Q175 PolarHBondContact O-NE2 2.95Å; D140-Q175 PolarHBondContact OD1-NE2 2.81Å; A143-Q175 HydrophobicContact CB-CG 3.7Å; R152-Q175 VanDerWaalsContact CZ-O 3.27Å; R152-Q175 VanDerWaalsContact NH1-C 3.28Å; R152-Q175 PolarHBondContact NH1-O 2.81Å; R152-Q175 PolarHBondContact NH2-O 2.83Å
176I96.4Very high93.9Very high2 Ų229.5 Ų29.51%0.0118%0.178CC..THydrogen-bonded Turntrans-135.7-1.1-16466.9168.5000115.4C128 V130 R139 F142C128-I176 WeakPolarHBondContact SG-CD1 3.22Å; C128-I176 PolarHBondContact SG-O 3.08Å; V130-I176 HydrophobicContact CG1-CB 3.87Å; V130-I176 HydrophobicContact CG1-CD1 3.92Å; V130-I176 HydrophobicContact CG1-CG1 4.4Å; V130-I176 HydrophobicContact CG1-CG2 4.26Å; R139-I176 HydrophobicContact CB-CG2 3.83Å; R139-I176 HydrophobicContact CG-CD1 4.09Å; R139-I176 HydrophobicContact CG-CG2 3.94Å; R139-I176 VanDerWaalsContact NH1-CD1 3.31Å; F142-I176 HydrophobicContact CD1-CB 3.9Å; F142-I176 HydrophobicContact CD1-CG2 3.82Å; F142-I176 HydrophobicContact CE1-CB 4.19Å
177S96.9Very high93.9Very high10 Ų1029 Ų297%0.0717%0.174CC..EExtended strand (participates in β ladder)trans-126.3171.8-17051.60000112.9N126 V127 R152 G173N126-S177 WeakPolarHBondContact ND2-CB 3.24Å; N126-S177 PolarHBondContact ND2-OG 3.32Å; V127-S177 CarbonylContact O-C 3.44Å; V127-S177 VanDerWaalsContact O-CA 3.29Å; V127-S177 WeakPolarHBondContact O-CA 3.41Å; V127-S177 WeakPolarHBondContact O-CB 3.45Å; R152-S177 WeakPolarHBondContact CD-O 3.4Å; R152-S177 PolarHBondContact NH1-O 3.43Å; G173-S177 CarbonylContact C-O 3.35Å; G173-S177 WeakPolarHBondContact CA-O 3.12Å; G173-S177 PolarHBondContact N-O 3.04Å; G173-S177 CarbonylContact O-C 3.58Å; G173-S177 WeakPolarHBondContact O-CA 3.36Å; G173-S177 PolarHBondContact O-N 2.86Å; G173-S177 PolarHBondContact O-OG 2.72Å
178I97.7Very high94Very high0 Ų030.1 Ų30.10%017%0.171CC..EExtended strand (participates in β ladder)trans-123.2125.2170.9-60.3163.2000105V127 R152 F155 V156 M159 A171 I172 V180V127-I178 HydrophobicContact CB-CB 4.43Å; V127-I178 PolarHBondContact N-O 2.83Å; V127-I178 PolarHBondContact O-N 2.76Å; R152-I178 HydrophobicContact CB-CD1 4.13Å; R152-I178 HydrophobicContact CB-CG1 4.05Å; R152-I178 HydrophobicContact CG-CD1 4.34Å; R152-I178 HydrophobicContact CG-CG1 4.17Å; F155-I178 HydrophobicContact CB-CD1 3.92Å; F155-I178 HydrophobicContact CD1-CD1 3.57Å; F155-I178 HydrophobicContact CE1-CD1 4.37Å; F155-I178 HydrophobicContact CG-CD1 3.92Å; V156-I178 HydrophobicContact CG2-CB 4.45Å; V156-I178 HydrophobicContact CG2-CD1 3.98Å; V156-I178 HydrophobicContact CG2-CG1 3.98Å; V156-I178 HydrophobicContact CG2-CG2 3.61Å; M159-I178 HydrophobicContact CE-CD1 4.09Å; M159-I178 HydrophobicContact CE-CG2 4.48Å; M159-I178 HydrophobicContact SD-CG2 4.13Å; A171-I178 CarbonylContact O-C 3.55Å; A171-I178 VanDerWaalsContact O-CA 3.29Å; A171-I178 WeakPolarHBondContact O-CA 2.98Å; A171-I178 WeakPolarHBondContact O-CG2 3.43Å; I172-I178 HydrophobicContact CD1-CG1 4.42Å; I178-V180 HydrophobicContact CG2-CG2 4.13Å
179D95.3Very high94Very high33 Ų3331.5 Ų31.518%0.17618%0.176CC..EExtended strand (participates in β ladder)trans-92.5131.2174-69.7-35.9000109.2L124 N126 A171 G173 F181L124-D179 HydrophobicContact CD1-CB 4.49Å; L124-D179 HydrophobicContact CD2-CB 4.28Å; N126-D179 PolarHBondContact ND2-OD1 3.13Å; A171-D179 PolarHBondContact N-O 3.43Å; A171-D179 PolarHBondContact O-N 3.21Å; G173-D179 WeakPolarHBondContact CA-OD2 2.92Å; D179-F181 HydrophobicContact CB-CD1 4.21Å; D179-F181 HydrophobicContact CB-CE1 4.23Å
180V96.6Very high94.1Very high0 Ų028.8 Ų28.80%016%0.163CC..EExtended strand (participates in β ladder)trans-122.4118-178-176.10000109.4F97 L124 I125 V127 M159 L168 Q169 F170 I178F97-V180 HydrophobicContact CE1-CB 4.2Å; F97-V180 HydrophobicContact CE1-CG1 3.97Å; F97-V180 HydrophobicContact CE1-CG2 4.17Å; F97-V180 HydrophobicContact CE2-CG1 4.16Å; F97-V180 HydrophobicContact CE2-CG2 4.41Å; F97-V180 HydrophobicContact CZ-CB 4.01Å; F97-V180 HydrophobicContact CZ-CG1 3.74Å; F97-V180 HydrophobicContact CZ-CG2 3.58Å; L124-V180 CarbonylContact C-O 3.53Å; L124-V180 VanDerWaalsContact CA-O 3.26Å; L124-V180 WeakPolarHBondContact CA-O 3.23Å; L124-V180 WeakPolarHBondContact CB-O 3.46Å; I125-V180 HydrophobicContact CB-CB 4.34Å; I125-V180 PolarHBondContact N-O 3Å; I125-V180 WeakPolarHBondContact O-CB 3.27Å; I125-V180 PolarHBondContact O-N 2.96Å; V127-V180 HydrophobicContact CG2-CG2 4.14Å; M159-V180 HydrophobicContact SD-CG2 4.27Å; L168-V180 HydrophobicContact CB-CG1 4.23Å; L168-V180 HydrophobicContact CD1-CG1 4.25Å; L168-V180 HydrophobicContact CD2-CG1 4.26Å; L168-V180 HydrophobicContact CG-CG1 4.48Å; Q169-V180 WeakPolarHBondContact O-CA 3.44Å; F170-V180 HydrophobicContact CD1-CB 4.2Å; F170-V180 HydrophobicContact CD1-CG1 3.68Å; F170-V180 HydrophobicContact CD1-CG2 3.66Å; F170-V180 HydrophobicContact CE1-CB 4.47Å; F170-V180 HydrophobicContact CE1-CG1 3.53Å; F170-V180 HydrophobicContact CE1-CG2 4.2Å; I178-V180 HydrophobicContact CG2-CG2 4.13Å
181F94.9Very high94.3Very high19 Ų1928.4 Ų28.48%0.08316%0.162CC..EExtended strand (participates in β ladder)trans-146157.9-172.648.4-88.9000110.2L124 Q169 A171 D179 W185L124-F181 HydrophobicContact CB-CB 3.94Å; Q169-F181 WeakPolarHBondContact CA-O 3.42Å; Q169-F181 HydrophobicContact CB-CD2 4.27Å; Q169-F181 HydrophobicContact CB-CE2 4.07Å; Q169-F181 WeakPolarHBondContact CB-O 3.29Å; Q169-F181 HydrophobicContact CG-CE2 3.94Å; Q169-F181 HydrophobicContact CG-CZ 4.21Å; Q169-F181 PolarHBondContact N-O 2.84Å; Q169-F181 PolarHBondContact O-N 3.18Å; A171-F181 HydrophobicContact CB-CE1 3.87Å; A171-F181 HydrophobicContact CB-CZ 4.09Å; D179-F181 HydrophobicContact CB-CD1 4.21Å; D179-F181 HydrophobicContact CB-CE1 4.23Å; F181-W185 HydrophobicContact CB-CB 4.41Å; F181-W185 HydrophobicContact CD2-CB 4.28Å
182P95.1Very high94.5Very high0 Ų030.1 Ų30.10%016%0.164CC..EExtended strand (participates in β ladder)trans-59.4145.2173.6-24.335.1000112.9I85 V89 P167 G184 W185I85-P182 HydrophobicContact CD1-CG 4.37Å; I85-P182 HydrophobicContact CG1-CG 4.09Å; V89-P182 HydrophobicContact CG2-CG 3.87Å; P167-P182 CarbonylContact O-C 3.49Å; P167-P182 VanDerWaalsContact O-CA 3.24Å; P167-P182 WeakPolarHBondContact O-CA 3.48Å; P182-G184 PolarHBondContact O-N 3.38Å; P182-W185 HydrophobicContact CB-CD2 3.85Å; P182-W185 HydrophobicContact CB-CE3 4.44Å; P182-W185 HydrophobicContact CB-CG 3.89Å; P182-W185 HydrophobicContact CB-CZ2 4.49Å; P182-W185 HydrophobicContact CG-CD2 3.59Å; P182-W185 HydrophobicContact CG-CE3 3.71Å; P182-W185 HydrophobicContact CG-CG 4.14Å; P182-W185 HydrophobicContact CG-CH2 4.05Å; P182-W185 HydrophobicContact CG-CZ2 3.94Å; P182-W185 HydrophobicContact CG-CZ3 3.92Å; P182-W185 VanDerWaalsContact O-CB 3.3Å; P182-W185 WeakPolarHBondContact O-CB 3.36Å; P182-W185 PolarHBondContact O-N 3.06Å
183K91.8Very high94.7Very high113 Ų11327.9 Ų27.949%0.49115%0.151SC..THydrogen-bonded Turntrans-51.9130.4173.3-72.2168.7-178.7162.80109.7D164 S166 P167 Q169D164-K183 PolarHBondContact O-NZ 2.9Å; S166-K183 PolarHBondContact O-NZ 2.84Å; S166-K183 VanDerWaalsContact O-NZ 3.1Å; P167-K183 WeakPolarHBondContact O-CG 3.23Å; P167-K183 PolarHBondContact O-N 3.42Å; Q169-K183 HydrophobicContact CB-CG 4.05Å
184G90.5Very high95.1Very high23 Ų2327.8 Ų27.824%0.23715%0.15CC..THydrogen-bonded Turntrans825.2-17800000115.5P182 D186P182-G184 PolarHBondContact O-N 3.38Å; G184-D186 PolarHBondContact O-N 3.38Å
185W94.3Very high95.5Very high10 Ų1032 Ų324%0.03815%0.151CC..  trans-88.720.2169.3-70.423.6000113N69 L71 T83 I85 H88 G123 F181 P182 Y189N69-W185 WeakPolarHBondContact CB-O 3.5Å; N69-W185 PolarHBondContact ND2-O 3.26Å; L71-W185 HydrophobicContact CD1-CB 4.28Å; L71-W185 HydrophobicContact CD1-CD2 4.25Å; L71-W185 HydrophobicContact CD1-CE3 3.66Å; L71-W185 HydrophobicContact CD1-CZ3 4.36Å; L71-W185 HydrophobicContact CD2-CB 4.41Å; L71-W185 HydrophobicContact CD2-CD2 3.47Å; L71-W185 VanDerWaalsContact CD2-CD2 3.47Å; L71-W185 HydrophobicContact CD2-CE3 3.43Å; L71-W185 VanDerWaalsContact CD2-CE3 3.43Å; L71-W185 HydrophobicContact CD2-CG 3.95Å; L71-W185 HydrophobicContact CD2-CH2 4.29Å; L71-W185 HydrophobicContact CD2-CZ2 4.32Å; L71-W185 HydrophobicContact CD2-CZ3 3.88Å; L71-W185 HydrophobicContact CG-CD2 4.49Å; L71-W185 HydrophobicContact CG-CE3 4.2Å; T83-W185 HydrophobicContact CG2-CH2 3.66Å; T83-W185 HydrophobicContact CG2-CZ2 3.68Å; T83-W185 HydrophobicContact CG2-CZ3 4.45Å; I85-W185 HydrophobicContact CB-CH2 4.33Å; I85-W185 HydrophobicContact CB-CZ3 3.89Å; I85-W185 HydrophobicContact CG1-CZ3 4.35Å; H88-W185 HydrophobicContact CB-CH2 3.72Å; H88-W185 HydrophobicContact CB-CZ2 3.52Å; H88-W185 AromaticContact CD2-CZ2 3.75Å; H88-W185 AromaticContact CG-CZ2 3.48Å; H88-W185 VanDerWaalsContact CG-CZ2 3.48Å; G123-W185 VanDerWaalsContact O-CZ3 3.22Å; G123-W185 WeakPolarHBondContact O-CZ3 3.49Å; F181-W185 HydrophobicContact CB-CB 4.41Å; F181-W185 HydrophobicContact CD2-CB 4.28Å; P182-W185 HydrophobicContact CB-CD2 3.85Å; P182-W185 HydrophobicContact CB-CE3 4.44Å; P182-W185 HydrophobicContact CB-CG 3.89Å; P182-W185 HydrophobicContact CB-CZ2 4.49Å; P182-W185 HydrophobicContact CG-CD2 3.59Å; P182-W185 HydrophobicContact CG-CE3 3.71Å; P182-W185 HydrophobicContact CG-CG 4.14Å; P182-W185 HydrophobicContact CG-CH2 4.05Å; P182-W185 HydrophobicContact CG-CZ2 3.94Å; P182-W185 HydrophobicContact CG-CZ3 3.92Å; P182-W185 VanDerWaalsContact O-CB 3.3Å; P182-W185 WeakPolarHBondContact O-CB 3.36Å; P182-W185 PolarHBondContact O-N 3.06Å; W185-Y189 AromaticContact CD1-CD2 3.61Å; W185-Y189 AromaticContact CD1-CE2 3.8Å; W185-Y189 HydrophobicContact CG-CD2 4.2Å; W185-Y189 HydrophobicContact CG-CE2 4.47Å; W185-Y189 AromaticContact NE1-CD2 3.95Å; W185-Y189 AromaticContact NE1-CE2 3.62Å
186D92.2Very high95.6Very high12 Ų1234.5 Ų34.56%0.06417%0.166CC..SBendtrans-74.1-172.1159.559.854.9000110.8G184 R188 Y189G184-D186 PolarHBondContact O-N 3.38Å; D186-R188 PolarHBondContact O-N 2.73Å; D186-R188 WeakPolarHBondContact OD1-CB 3.44Å; D186-R188 VanDerWaalsContact OD1-CG 3.24Å; D186-R188 WeakPolarHBondContact OD1-CG 3.24Å; D186-R188 IonicContact OD1-CZ 3.12Å; D186-R188 PolarHBondContact OD1-N 3.12Å; D186-R188 IonicContact OD1-NE 2.73Å; D186-R188 PolarHBondContact OD1-NE 2.96Å; D186-R188 IonicContact OD1-NH2 2.75Å; D186-R188 IonicContact OD2-CZ 2.72Å; D186-R188 VanDerWaalsContact OD2-CZ 3.32Å; D186-R188 IonicContact OD2-NE 3.34Å; D186-R188 PolarHBondContact OD2-NE 3.47Å; D186-R188 VanDerWaalsContact OD2-NE 3.16Å; D186-R188 IonicContact OD2-NH2 2.73Å; D186-R188 PolarHBondContact OD2-NH2 3.49Å; D186-Y189 VanDerWaalsContact O-CB 3.29Å; D186-Y189 WeakPolarHBondContact O-CB 3.34Å; D186-Y189 PolarHBondContact O-N 2.72Å
187K96Very high95.7Very high4 Ų436.6 Ų36.62%0.01717%0.174CC..G310 helixtrans-57.2-23.8-175.9-67.7-170.4171.6-167.40113.9D10 V42 Y189 C190 N212 D213 I216D10-K187 IonicContact OD1-NZ 3.41Å; D10-K187 PolarHBondContact OD1-NZ 3.41Å; V42-K187 HydrophobicContact CG1-CD 4.13Å; V42-K187 HydrophobicContact CG2-CB 3.98Å; V42-K187 HydrophobicContact CG2-CD 4.2Å; V42-K187 HydrophobicContact CG2-CG 3.9Å; V42-K187 PolarHBondContact O-NZ 3.47Å; K187-Y189 PolarHBondContact O-N 2.95Å; K187-Y189 VanDerWaalsContact O-N 3.11Å; K187-C190 PolarHBondContact O-N 3.25Å; K187-C190 PolarHBondContact O-SG 2.99Å; K187-N212 PolarHBondContact NZ-ND2 3.01Å; K187-D213 WeakPolarHBondContact CD-OD1 3.48Å; K187-D213 WeakPolarHBondContact CE-OD1 3.25Å; K187-D213 IonicContact NZ-OD1 2.62Å; K187-D213 PolarHBondContact NZ-OD1 2.77Å; K187-I216 HydrophobicContact CB-CB 3.9Å; K187-I216 HydrophobicContact CB-CD1 3.98Å; K187-I216 HydrophobicContact CB-CG2 3.68Å; K187-I216 HydrophobicContact CD-CG2 4.09Å
188R96.4Very high95.7Very high79 Ų7941.3 Ų41.330%0.29820%0.199SC..G310 helixtrans-60.1-22175.4-63.9175.7-66.8178.5-4.6112.8D186 C190 L191 E215 I216 D219D186-R188 PolarHBondContact O-N 2.73Å; D186-R188 WeakPolarHBondContact OD1-CB 3.44Å; D186-R188 VanDerWaalsContact OD1-CG 3.24Å; D186-R188 WeakPolarHBondContact OD1-CG 3.24Å; D186-R188 IonicContact OD1-CZ 3.12Å; D186-R188 PolarHBondContact OD1-N 3.12Å; D186-R188 IonicContact OD1-NE 2.73Å; D186-R188 PolarHBondContact OD1-NE 2.96Å; D186-R188 IonicContact OD1-NH2 2.75Å; D186-R188 IonicContact OD2-CZ 2.72Å; D186-R188 VanDerWaalsContact OD2-CZ 3.32Å; D186-R188 IonicContact OD2-NE 3.34Å; D186-R188 PolarHBondContact OD2-NE 3.47Å; D186-R188 VanDerWaalsContact OD2-NE 3.16Å; D186-R188 IonicContact OD2-NH2 2.73Å; D186-R188 PolarHBondContact OD2-NH2 3.49Å; R188-C190 PolarHBondContact O-N 3.29Å; R188-L191 HydrophobicContact CB-CD1 4.3Å; R188-L191 HydrophobicContact CG-CD1 4.48Å; R188-L191 VanDerWaalsContact O-CB 3.3Å; R188-L191 WeakPolarHBondContact O-CB 3.45Å; R188-L191 WeakPolarHBondContact O-CG 3.41Å; R188-L191 PolarHBondContact O-N 3.4Å; R188-E215 WeakPolarHBondContact CD-O 3.21Å; R188-E215 HydrophobicContact CG-CB 4.12Å; R188-E215 WeakPolarHBondContact CG-O 3.42Å; R188-I216 HydrophobicContact CG-CB 4.17Å; R188-D219 WeakPolarHBondContact CD-OD2 3.49Å; R188-D219 HydrophobicContact CG-CB 4.33Å
189Y96Very high95.7Very high31 Ų3142.6 Ų42.612%0.12221%0.207CC..G310 helixtrans-56.6-33.5177.7-169.2-92.1000111.7G70 L71 T83 W185 D186 K187 L191 Q192 F193G70-Y189 WeakPolarHBondContact O-CD1 3.41Å; L71-Y189 HydrophobicContact CD2-CD1 3.89Å; L71-Y189 HydrophobicContact CD2-CD2 4.29Å; L71-Y189 HydrophobicContact CD2-CE1 3.71Å; L71-Y189 HydrophobicContact CD2-CE2 4.13Å; L71-Y189 HydrophobicContact CD2-CG 4.18Å; L71-Y189 HydrophobicContact CG-CD1 4.32Å; L71-Y189 HydrophobicContact CG-CE1 4.46Å; T83-Y189 WeakPolarHBondContact CG2-OH 3.43Å; T83-Y189 PolarHBondContact OG1-OH 2.72Å; T83-Y189 VanDerWaalsContact OG1-OH 3.06Å; W185-Y189 AromaticContact CD1-CD2 3.61Å; W185-Y189 AromaticContact CD1-CE2 3.8Å; W185-Y189 HydrophobicContact CG-CD2 4.2Å; W185-Y189 HydrophobicContact CG-CE2 4.47Å; W185-Y189 AromaticContact NE1-CD2 3.95Å; W185-Y189 AromaticContact NE1-CE2 3.62Å; D186-Y189 VanDerWaalsContact O-CB 3.29Å; D186-Y189 WeakPolarHBondContact O-CB 3.34Å; D186-Y189 PolarHBondContact O-N 2.72Å; K187-Y189 PolarHBondContact O-N 2.95Å; K187-Y189 VanDerWaalsContact O-N 3.11Å; Y189-L191 PolarHBondContact O-N 3.46Å; Y189-Q192 VanDerWaalsContact CE1-NE2 3.29Å; Y189-Q192 VanDerWaalsContact CE2-NE2 3.27Å; Y189-Q192 WeakPolarHBondContact O-CG 3.42Å; Y189-Q192 PolarHBondContact O-NE2 3.18Å; Y189-F193 HydrophobicContact CD1-CE2 4.21Å; Y189-F193 HydrophobicContact CE1-CE2 4.01Å; Y189-F193 HydrophobicContact CE1-CZ 4.24Å
190C97.6Very high95.9Very high0 Ų041.5 Ų41.50%020%0.201CC..G310 helixtrans-67.3-22.5179.1780000113.8V42 F66 K187 R188 Q192 F193V42-C190 HydrophobicContact CG2-CB 4.27Å; F66-C190 HydrophobicContact CB-CB 3.88Å; F66-C190 HydrophobicContact CD1-CB 3.69Å; F66-C190 HydrophobicContact CD2-CB 3.63Å; F66-C190 HydrophobicContact CE1-CB 4.05Å; F66-C190 HydrophobicContact CE2-CB 3.98Å; F66-C190 HydrophobicContact CG-CB 3.46Å; F66-C190 VanDerWaalsContact CG-CB 3.46Å; F66-C190 HydrophobicContact CZ-CB 4.18Å; K187-C190 PolarHBondContact O-N 3.25Å; K187-C190 PolarHBondContact O-SG 2.99Å; R188-C190 PolarHBondContact O-N 3.29Å; C190-Q192 PolarHBondContact O-N 2.95Å; C190-F193 WeakPolarHBondContact O-CD2 3.47Å; C190-F193 PolarHBondContact O-N 3.49Å
191L98.1Very high96Very high2 Ų242.3 Ų42.31%0.0121%0.205CC..G310 helixtrans-65.3-23.7-174.9-62176.9000112.7L8 R188 Y189 F193 L194 I200 I216 D219 R221 T222L8-L191 HydrophobicContact CD2-CD2 4.33Å; R188-L191 HydrophobicContact CB-CD1 4.3Å; R188-L191 HydrophobicContact CG-CD1 4.48Å; R188-L191 VanDerWaalsContact O-CB 3.3Å; R188-L191 WeakPolarHBondContact O-CB 3.45Å; R188-L191 WeakPolarHBondContact O-CG 3.41Å; R188-L191 PolarHBondContact O-N 3.4Å; Y189-L191 PolarHBondContact O-N 3.46Å; L191-F193 PolarHBondContact O-N 2.9Å; L191-L194 HydrophobicContact CD2-CD1 4.38Å; L191-L194 PolarHBondContact O-N 3.21Å; L191-L194 VanDerWaalsContact O-N 3.1Å; L191-I200 HydrophobicContact CD2-CD1 4.12Å; L191-I200 HydrophobicContact CD2-CG2 4.36Å; L191-I216 HydrophobicContact CD1-CG1 4.3Å; L191-I216 HydrophobicContact CD2-CD1 4.21Å; L191-I216 HydrophobicContact CD2-CG1 4.44Å; L191-I216 HydrophobicContact CG-CD1 4.42Å; L191-D219 HydrophobicContact CD1-CB 3.95Å; L191-R221 HydrophobicContact CD1-CB 4.42Å; L191-T222 HydrophobicContact CD1-CG2 3.95Å; L191-T222 HydrophobicContact CD2-CG2 3.69Å; L191-T222 HydrophobicContact CG-CG2 4.5Å
192Q96.6Very high96.2Very high71 Ų7141.4 Ų41.433%0.33220%0.201SC..G310 helixtrans-63.9-17.6174.480.1-168.7-98.500113.3Y189 C190Y189-Q192 VanDerWaalsContact CE1-NE2 3.29Å; Y189-Q192 VanDerWaalsContact CE2-NE2 3.27Å; Y189-Q192 WeakPolarHBondContact O-CG 3.42Å; Y189-Q192 PolarHBondContact O-NE2 3.18Å; C190-Q192 PolarHBondContact O-N 2.95Å
193F97.5Very high96.3Very high38 Ų3841.4 Ų41.417%0.16720%0.201CC..G310 helixtrans-96.90.2178.2-54.2-75.3000112.7F66 V73 K81 Y189 C190 L191F66-F193 HydrophobicContact CD1-CD2 4.27Å; F66-F193 HydrophobicContact CE1-CB 3.74Å; F66-F193 AromaticContact CE1-CD2 3.63Å; F66-F193 HydrophobicContact CE1-CD2 3.63Å; F66-F193 AromaticContact CE1-CG 3.94Å; F66-F193 HydrophobicContact CE1-CG 3.94Å; F66-F193 HydrophobicContact CZ-CB 3.85Å; F66-F193 HydrophobicContact CZ-CD2 4.42Å; V73-F193 HydrophobicContact CG2-CD1 4.5Å; V73-F193 HydrophobicContact CG2-CD2 4.02Å; V73-F193 HydrophobicContact CG2-CE1 4.16Å; V73-F193 HydrophobicContact CG2-CE2 3.65Å; V73-F193 HydrophobicContact CG2-CG 4.44Å; V73-F193 HydrophobicContact CG2-CZ 3.73Å; K81-F193 HydrophobicContact CD-CE1 3.69Å; K81-F193 HydrophobicContact CD-CZ 3.76Å; Y189-F193 HydrophobicContact CD1-CE2 4.21Å; Y189-F193 HydrophobicContact CE1-CE2 4.01Å; Y189-F193 HydrophobicContact CE1-CZ 4.24Å; C190-F193 WeakPolarHBondContact O-CD2 3.47Å; C190-F193 PolarHBondContact O-N 3.49Å; L191-F193 PolarHBondContact O-N 2.9Å
194L97.7Very high96.7Very high1 Ų136 Ų361%0.00518%0.177CC..  trans-114.615.8-175.9-59.5-176.8000112.8I6 L8 Y64 F66 L191 D196 Y197 I200I6-L194 HydrophobicContact CD1-CD2 3.8Å; L8-L194 HydrophobicContact CD2-CD1 4.16Å; Y64-L194 HydrophobicContact CD2-CD2 3.5Å; Y64-L194 HydrophobicContact CE2-CD2 3.71Å; Y64-L194 HydrophobicContact CG-CD2 4.36Å; F66-L194 HydrophobicContact CE2-CD1 4.22Å; F66-L194 HydrophobicContact CE2-CD2 4.05Å; F66-L194 HydrophobicContact CE2-CG 4.23Å; F66-L194 HydrophobicContact CZ-CD2 3.95Å; F66-L194 HydrophobicContact CZ-CG 4.18Å; L191-L194 HydrophobicContact CD2-CD1 4.38Å; L191-L194 PolarHBondContact O-N 3.21Å; L191-L194 VanDerWaalsContact O-N 3.1Å; L194-D196 PolarHBondContact O-N 3.05Å; L194-Y197 HydrophobicContact CB-CD2 4.2Å; L194-Y197 HydrophobicContact CD2-CD2 4.1Å; L194-Y197 HydrophobicContact CD2-CE2 3.98Å; L194-Y197 PolarHBondContact O-N 3.29Å; L194-Y197 VanDerWaalsContact O-N 3.09Å; L194-I200 HydrophobicContact CB-CD1 3.65Å; L194-I200 HydrophobicContact CB-CG1 4.41Å; L194-I200 HydrophobicContact CD1-CD1 4.16Å; L194-I200 HydrophobicContact CD1-CG2 4.2Å
195E96Very high97Very high158 Ų15837.2 Ų37.274%0.73818%0.178SC*.THydrogen-bonded Turntrans-63.5-20.6-178.2-62.4-174.8162.900113.6Y197E195-Y197 PolarHBondContact O-N 3.1Å
196D95.1Very high97.1Very high119 Ų11942 Ų4264%0.63620%0.199SC*.THydrogen-bonded Turntrans-76-3.4175.6-73.6-32.6000114.2K4 L194K4-D196 WeakPolarHBondContact CD-O 3.47Å; L194-D196 PolarHBondContact O-N 3.05Å
197Y97.4Very high97.3Very high45 Ų4542 Ų4218%0.17620%0.199CC..  trans-105.8133.3179.1-64.2-86.9000111.4K4 I6 P38 Y64 L194 E195 T199K4-Y197 HydrophobicContact CB-CD1 4.01Å; I6-Y197 HydrophobicContact CB-CD1 3.6Å; I6-Y197 HydrophobicContact CB-CD2 4.32Å; I6-Y197 HydrophobicContact CB-CE1 3.73Å; I6-Y197 HydrophobicContact CB-CE2 4.43Å; I6-Y197 HydrophobicContact CB-CG 3.91Å; I6-Y197 HydrophobicContact CD1-CD2 4.34Å; I6-Y197 HydrophobicContact CD1-CE1 4.23Å; I6-Y197 HydrophobicContact CD1-CE2 3.83Å; I6-Y197 HydrophobicContact CG1-CE1 4.39Å; I6-Y197 HydrophobicContact CG2-CD1 3.82Å; I6-Y197 HydrophobicContact CG2-CD2 3.93Å; I6-Y197 HydrophobicContact CG2-CE1 4.34Å; I6-Y197 HydrophobicContact CG2-CE2 4.44Å; I6-Y197 HydrophobicContact CG2-CG 3.59Å; P38-Y197 HydrophobicContact CB-CE1 4Å; P38-Y197 HydrophobicContact CG-CE1 4.08Å; Y64-Y197 HydrophobicContact CE2-CE2 4.16Å; L194-Y197 HydrophobicContact CB-CD2 4.2Å; L194-Y197 HydrophobicContact CD2-CD2 4.1Å; L194-Y197 HydrophobicContact CD2-CE2 3.98Å; L194-Y197 PolarHBondContact O-N 3.29Å; L194-Y197 VanDerWaalsContact O-N 3.09Å; E195-Y197 PolarHBondContact O-N 3.1Å; Y197-T199 VanDerWaalsContact C-N 3.33Å
198D97.2Very high97.3Very high109 Ų10949.4 Ų49.458%0.58323%0.234SC*.SBendtrans-75.8-22.7178.1-60.3-68.4000112.5K3 K4K3-D198 VanDerWaalsContact CA-OD2 3.28Å; K3-D198 WeakPolarHBondContact CA-OD2 3.49Å; K3-D198 HydrophobicContact CB-CB 4.13Å; K3-D198 HydrophobicContact CG-CB 4.39Å; K4-D198 PolarHBondContact N-OD2 3.06Å; K4-D198 PolarHBondContact O-N 3.23Å
199T98Very high97Very high27 Ų2753.7 Ų53.717%0.16626%0.258CS..EExtended strand (participates in β ladder)trans-147.7126.3-177.9-55.70000110.5K4 V5 I6 Y197 H201 I223K4-T199 PolarHBondContact O-N 3.18Å; V5-T199 WeakPolarHBondContact CA-O 3.17Å; I6-T199 PolarHBondContact N-O 3.32Å; Y197-T199 VanDerWaalsContact C-N 3.33Å; T199-H201 WeakPolarHBondContact CG2-NE2 3.36Å; T199-I223 HydrophobicContact CG2-CD1 3.62Å; T199-I223 HydrophobicContact CG2-CG1 4.4Å
200I98.6Very high96.5Very high10 Ų1055.8 Ų55.85%0.05129%0.289CS..EExtended strand (participates in β ladder)trans-115.9108.7178.7-55.8170.3000107.7I6 L8 L191 L194 T222 I223I6-I200 HydrophobicContact CG2-CB 4.26Å; I6-I200 HydrophobicContact CG2-CG1 3.86Å; I6-I200 HydrophobicContact CG2-CG2 4.21Å; L8-I200 HydrophobicContact CB-CG2 4.28Å; L191-I200 HydrophobicContact CD2-CD1 4.12Å; L191-I200 HydrophobicContact CD2-CG2 4.36Å; L194-I200 HydrophobicContact CB-CD1 3.65Å; L194-I200 HydrophobicContact CB-CG1 4.41Å; L194-I200 HydrophobicContact CD1-CD1 4.16Å; L194-I200 HydrophobicContact CD1-CG2 4.2Å; I200-T222 HydrophobicContact CB-CG2 4.49Å; I200-T222 HydrophobicContact CG2-CG2 4.16Å; I200-T222 CarbonylContact O-C 3.08Å; I200-T222 WeakPolarHBondContact O-CA 3.44Å; I200-I223 PolarHBondContact O-N 3.28Å
201H98.7Very high96.2Very high17 Ų1756.5 Ų56.58%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-86118.6169.8-71.2-99.9000108.5I6 C7 L8 T199 F203 I223 H225 L240I6-H201 PolarHBondContact O-N 3.48Å; C7-H201 CarbonylContact C-O 3.47Å; C7-H201 WeakPolarHBondContact CA-O 3.33Å; L8-H201 PolarHBondContact N-O 3.02Å; T199-H201 WeakPolarHBondContact CG2-NE2 3.36Å; H201-F203 HydrophobicContact CB-CE2 3.69Å; H201-F203 HydrophobicContact CB-CZ 4.24Å; H201-I223 WeakPolarHBondContact CA-O 3.35Å; H201-H225 AromaticContact CE1-NE2 3.87Å; H201-H225 AromaticContact CG-NE2 3.74Å; H201-H225 AromaticContact ND1-CD2 3.82Å; H201-H225 AromaticContact ND1-CE1 3.57Å; H201-H225 AromaticContact ND1-NE2 2.88Å; H201-H225 PolarHBondContact ND1-NE2 2.9Å; H201-L240 HydrophobicContact CB-CD2 4.4Å; H201-L240 VanDerWaalsContact ND1-CD2 3.34Å; H201-L240 WeakPolarHBondContact ND1-CD2 3.34Å
202F98.8Very high95.9Very high0 Ų060 Ų600%032%0.315CS..EExtended strand (participates in β ladder)trans-105.3129.3176.3172.2-99.9000110.7L8 V42 D213 I216 F217 T222 I223 G224 H225L8-F202 HydrophobicContact CB-CD2 4.29Å; L8-F202 HydrophobicContact CD2-CD2 3.98Å; L8-F202 HydrophobicContact CG-CD2 3.96Å; L8-F202 CarbonylContact O-C 3.51Å; L8-F202 VanDerWaalsContact O-CA 3.3Å; L8-F202 WeakPolarHBondContact O-CA 3.47Å; V42-F202 HydrophobicContact CG1-CD2 4.38Å; V42-F202 HydrophobicContact CG1-CE2 3.81Å; F202-D213 HydrophobicContact CE1-CB 3.82Å; F202-D213 HydrophobicContact CZ-CB 3.86Å; F202-I216 HydrophobicContact CD1-CG1 4.46Å; F202-I216 HydrophobicContact CD1-CG2 4.01Å; F202-I216 HydrophobicContact CD2-CD1 3.82Å; F202-I216 HydrophobicContact CD2-CG1 4.13Å; F202-I216 HydrophobicContact CD2-CG2 4.28Å; F202-I216 HydrophobicContact CE1-CG2 3.57Å; F202-I216 HydrophobicContact CE2-CD1 4.05Å; F202-I216 HydrophobicContact CE2-CG1 4.46Å; F202-I216 HydrophobicContact CE2-CG2 3.85Å; F202-I216 HydrophobicContact CG-CD1 4.32Å; F202-I216 HydrophobicContact CG-CG1 4.13Å; F202-I216 HydrophobicContact CG-CG2 4.35Å; F202-I216 HydrophobicContact CZ-CG2 3.47Å; F202-I216 VanDerWaalsContact CZ-CG2 3.47Å; F202-F217 HydrophobicContact CD1-CB 4.08Å; F202-F217 HydrophobicContact CE1-CB 4.13Å; F202-T222 HydrophobicContact CB-CG2 4.34Å; F202-I223 PolarHBondContact N-O 2.89Å; F202-G224 CarbonylContact O-C 3.57Å; F202-H225 PolarHBondContact O-CD2 2.87Å; F202-H225 PolarHBondContact O-N 3.42Å
203F98.8Very high95.9Very high1 Ų156.6 Ų56.60%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-115.4126.3177.9-60.9-98.4000110C7 L8 F9 D10 T14 H201 H225 V227 T233 Q236 L237 L240C7-F203 HydrophobicContact CB-CE2 4.07Å; L8-F203 PolarHBondContact O-N 3.37Å; F9-F203 HydrophobicContact CD1-CB 3.71Å; F9-F203 AromaticContact CD1-CD2 3.68Å; F9-F203 HydrophobicContact CD1-CD2 3.68Å; F9-F203 AromaticContact CD1-CG 3.87Å; F9-F203 HydrophobicContact CD1-CG 3.87Å; F9-F203 HydrophobicContact CE1-CB 4.19Å; F9-F203 AromaticContact CE1-CD2 3.38Å; F9-F203 HydrophobicContact CE1-CD2 3.38Å; F9-F203 AromaticContact CE1-CE2 3.85Å; F9-F203 HydrophobicContact CE1-CE2 3.85Å; F9-F203 AromaticContact CE1-CG 3.82Å; F9-F203 HydrophobicContact CE1-CG 3.82Å; F9-F203 HydrophobicContact CZ-CD2 4.18Å; F9-F203 HydrophobicContact CZ-CE2 4.34Å; D10-F203 PolarHBondContact N-O 3.42Å; T14-F203 HydrophobicContact CG2-CB 4.14Å; H201-F203 HydrophobicContact CB-CE2 3.69Å; H201-F203 HydrophobicContact CB-CZ 4.24Å; F203-H225 WeakPolarHBondContact CA-O 3.46Å; F203-H225 HydrophobicContact CD1-CB 3.34Å; F203-H225 AromaticContact CD1-CG 3.86Å; F203-H225 HydrophobicContact CE1-CB 3.53Å; F203-H225 AromaticContact CE1-CD2 3.95Å; F203-H225 AromaticContact CE1-CG 3.52Å; F203-H225 HydrophobicContact CG-CB 3.98Å; F203-H225 HydrophobicContact CZ-CB 4.31Å; F203-H225 AromaticContact CZ-CD2 3.87Å; F203-H225 AromaticContact CZ-CG 3.9Å; F203-V227 HydrophobicContact CB-CG1 4.27Å; F203-V227 HydrophobicContact CD1-CG1 3.94Å; F203-T233 HydrophobicContact CD1-CG2 4.38Å; F203-Q236 HydrophobicContact CE1-CB 4.02Å; F203-L237 HydrophobicContact CE1-CD2 4.41Å; F203-L237 HydrophobicContact CE2-CD2 3.94Å; F203-L237 HydrophobicContact CZ-CD2 3.73Å; F203-L237 HydrophobicContact CZ-CG 4.34Å; F203-L240 HydrophobicContact CZ-CD2 4.24Å
204G98.5Very high95.8Very high0 Ų058.6 Ų58.60%031%0.306CS..EExtended strand (participates in β ladder)trans-153.4157.1-179.800000112.7T14 T207 H225 T226 V227T14-G204 WeakPolarHBondContact OG1-CA 3.37Å; G204-T207 WeakPolarHBondContact O-CG2 3.29Å; G204-H225 PolarHBondContact N-O 2.91Å; G204-T226 WeakPolarHBondContact O-CA 3.48Å; G204-V227 WeakPolarHBondContact O-CG2 3.22Å; G204-V227 PolarHBondContact O-N 3.21Å
205D97.8Very high95.7Very high47 Ų4761.1 Ų61.125%0.25132%0.318SS..SBendtrans-94.4-30.8-178.474.6-44.5000112.5T14 D213 V227T14-D205 PolarHBondContact OG1-N 3.26Å; D205-D213 PolarHBondContact N-OD2 2.95Å; D205-V227 WeakPolarHBondContact CA-O 3.26Å; D205-V227 HydrophobicContact CB-CG2 4.49Å
206K95.9Very high95.8Very high110 Ų11053.6 Ų53.648%0.47828%0.283SS..  trans-106.261.9-176.9-62-164.6-169.2167.60112.6G211 N212 D213 Y214K206-G211 CarbonylContact O-C 3.53Å; K206-G211 VanDerWaalsContact O-C 3.28Å; K206-G211 VanDerWaalsContact O-CA 3.3Å; K206-G211 WeakPolarHBondContact O-CA 3.4Å; K206-N212 WeakPolarHBondContact CD-OD1 3.42Å; K206-D213 PolarHBondContact N-OD2 3.41Å; K206-D213 WeakPolarHBondContact O-CB 3.22Å; K206-D213 PolarHBondContact O-N 3.44Å; K206-Y214 PolarHBondContact O-N 3.45Å
207T97.4Very high95.9Very high12 Ų1250.6 Ų50.67%0.07426%0.264CS..  trans-92.33.9-175.363.60000114.1G204 D213 Y214 F217 T226G204-T207 WeakPolarHBondContact O-CG2 3.29Å; T207-D213 HydrophobicContact CG2-CB 4.07Å; T207-Y214 WeakPolarHBondContact O-CD2 3.37Å; T207-F217 HydrophobicContact CG2-CB 3.93Å; T207-F217 HydrophobicContact CG2-CD2 3.42Å; T207-F217 VanDerWaalsContact CG2-CD2 3.42Å; T207-F217 HydrophobicContact CG2-CE2 4.03Å; T207-F217 HydrophobicContact CG2-CG 3.72Å; T207-T226 WeakPolarHBondContact OG1-CG2 3.39Å; T207-T226 PolarHBondContact OG1-OG1 2.68Å
208E95.1Very high95.9Very high161 Ų16151.3 Ų51.375%0.75228%0.276SS*.SBendtrans-84.1157.7172.5-64.4-176.1174.300111.1G210 G211 Y214E208-G210 PolarHBondContact O-N 3.39Å; E208-G211 WeakPolarHBondContact O-CA 3.49Å; E208-G211 PolarHBondContact O-N 2.81Å; E208-Y214 WeakPolarHBondContact O-CB 3.29Å
209E90.8Very high95.9Very high168 Ų16846.9 Ų46.979%0.78525%0.252SS*.THydrogen-bonded Turntrans-52.6127.8179.3-171.5174.7-170.900111.9G211 Y214E209-G211 VanDerWaalsContact C-N 3.31Å; E209-Y214 HydrophobicContact CB-CE1 4.33Å; E209-Y214 HydrophobicContact CB-CE2 4.42Å; E209-Y214 HydrophobicContact CG-CE1 4.15Å
210G85.5Confident95.9Very high76 Ų7651.9 Ų51.978%0.78429%0.285SS*.THydrogen-bonded Turntrans87.7-9.5-173.800000114.7E208E208-G210 PolarHBondContact O-N 3.39Å
211G90.9Very high95.9Very high15 Ų1557.1 Ų57.116%0.15530%0.304CS..SBendtrans-76.6148.516700000112K206 E208 E209 D213 Y214K206-G211 CarbonylContact O-C 3.53Å; K206-G211 VanDerWaalsContact O-C 3.28Å; K206-G211 VanDerWaalsContact O-CA 3.3Å; K206-G211 WeakPolarHBondContact O-CA 3.4Å; E208-G211 WeakPolarHBondContact O-CA 3.49Å; E208-G211 PolarHBondContact O-N 2.81Å; E209-G211 VanDerWaalsContact C-N 3.31Å; G211-D213 PolarHBondContact O-N 2.65Å; G211-D213 VanDerWaalsContact O-N 3.14Å; G211-Y214 WeakPolarHBondContact O-CB 3.4Å; G211-Y214 PolarHBondContact O-N 2.73Å
212N91Very high95.8Very high74 Ų7457.1 Ų57.140%0.39631%0.305SS..THydrogen-bonded Turntrans-71-6.9-175.261.6-92.7000114.8K187 K206K187-N212 PolarHBondContact NZ-ND2 3.01Å; K206-N212 WeakPolarHBondContact CD-OD1 3.42Å
213D96.6Very high95.8Very high0 Ų061 Ų610%033%0.325CS..THydrogen-bonded Turntrans-103.7-9.8177.2-59-47.9000112.2K187 F202 D205 K206 T207 G211 E215 I216 F217K187-D213 WeakPolarHBondContact CD-OD1 3.48Å; K187-D213 WeakPolarHBondContact CE-OD1 3.25Å; K187-D213 IonicContact NZ-OD1 2.62Å; K187-D213 PolarHBondContact NZ-OD1 2.77Å; F202-D213 HydrophobicContact CE1-CB 3.82Å; F202-D213 HydrophobicContact CZ-CB 3.86Å; D205-D213 PolarHBondContact N-OD2 2.95Å; K206-D213 PolarHBondContact N-OD2 3.41Å; K206-D213 WeakPolarHBondContact O-CB 3.22Å; K206-D213 PolarHBondContact O-N 3.44Å; T207-D213 HydrophobicContact CG2-CB 4.07Å; G211-D213 PolarHBondContact O-N 2.65Å; G211-D213 VanDerWaalsContact O-N 3.14Å; D213-E215 PolarHBondContact O-N 3.19Å; D213-I216 WeakPolarHBondContact O-CG2 3.34Å; D213-I216 PolarHBondContact O-N 3.41Å; D213-F217 WeakPolarHBondContact O-CB 3.34Å; D213-F217 PolarHBondContact O-N 3.24Å
214Y96.2Very high95.8Very high80 Ų8062.2 Ų62.231%0.31434%0.338SS..Hα-helixtrans-57.7-49-173.2175.6-115.3000113.2K206 T207 E208 E209 G211 I216 F217 S218K206-Y214 PolarHBondContact O-N 3.45Å; T207-Y214 WeakPolarHBondContact O-CD2 3.37Å; E208-Y214 WeakPolarHBondContact O-CB 3.29Å; E209-Y214 HydrophobicContact CB-CE1 4.33Å; E209-Y214 HydrophobicContact CB-CE2 4.42Å; E209-Y214 HydrophobicContact CG-CE1 4.15Å; G211-Y214 WeakPolarHBondContact O-CB 3.4Å; G211-Y214 PolarHBondContact O-N 2.73Å; Y214-I216 PolarHBondContact O-N 3.19Å; Y214-F217 PolarHBondContact O-N 3.25Å; Y214-S218 WeakPolarHBondContact CE2-OG 3.47Å; Y214-S218 VanDerWaalsContact O-CB 3.28Å; Y214-S218 WeakPolarHBondContact O-CB 3.44Å; Y214-S218 PolarHBondContact O-N 2.85Å; Y214-S218 PolarHBondContact O-OG 3.08Å
215E95.3Very high95.8Very high54 Ų5464 Ų6425%0.25235%0.346SS..Hα-helixtrans-66.6-38.6-174.8-66.779.4-174.900111.8R188 D213 D219R188-E215 WeakPolarHBondContact CD-O 3.21Å; R188-E215 HydrophobicContact CG-CB 4.12Å; R188-E215 WeakPolarHBondContact CG-O 3.42Å; D213-E215 PolarHBondContact O-N 3.19Å; E215-D219 PolarHBondContact O-N 3.19Å
216I97.6Very high95.9Very high1 Ų164.8 Ų64.81%0.00535%0.353CS..Hα-helixtrans-76.1-39.6177.2-174.9168.9000111.6L8 V42 K187 R188 L191 F202 D213 Y214 S218 D219 T222L8-I216 HydrophobicContact CD2-CD1 3.6Å; V42-I216 HydrophobicContact CG1-CD1 4.22Å; K187-I216 HydrophobicContact CB-CB 3.9Å; K187-I216 HydrophobicContact CB-CD1 3.98Å; K187-I216 HydrophobicContact CB-CG2 3.68Å; K187-I216 HydrophobicContact CD-CG2 4.09Å; R188-I216 HydrophobicContact CG-CB 4.17Å; L191-I216 HydrophobicContact CD1-CG1 4.3Å; L191-I216 HydrophobicContact CD2-CD1 4.21Å; L191-I216 HydrophobicContact CD2-CG1 4.44Å; L191-I216 HydrophobicContact CG-CD1 4.42Å; F202-I216 HydrophobicContact CD1-CG1 4.46Å; F202-I216 HydrophobicContact CD1-CG2 4.01Å; F202-I216 HydrophobicContact CD2-CD1 3.82Å; F202-I216 HydrophobicContact CD2-CG1 4.13Å; F202-I216 HydrophobicContact CD2-CG2 4.28Å; F202-I216 HydrophobicContact CE1-CG2 3.57Å; F202-I216 HydrophobicContact CE2-CD1 4.05Å; F202-I216 HydrophobicContact CE2-CG1 4.46Å; F202-I216 HydrophobicContact CE2-CG2 3.85Å; F202-I216 HydrophobicContact CG-CD1 4.32Å; F202-I216 HydrophobicContact CG-CG1 4.13Å; F202-I216 HydrophobicContact CG-CG2 4.35Å; F202-I216 HydrophobicContact CZ-CG2 3.47Å; F202-I216 VanDerWaalsContact CZ-CG2 3.47Å; D213-I216 WeakPolarHBondContact O-CG2 3.34Å; D213-I216 PolarHBondContact O-N 3.41Å; Y214-I216 PolarHBondContact O-N 3.19Å; I216-S218 VanDerWaalsContact C-N 3.27Å; I216-S218 PolarHBondContact O-N 3.3Å; I216-D219 WeakPolarHBondContact O-CB 3.48Å; I216-D219 PolarHBondContact O-N 3.46Å; I216-T222 HydrophobicContact CG1-CG2 4.22Å; I216-T222 PolarHBondContact O-OG1 3.43Å
217F98.2Very high96Very high56 Ų5659.6 Ų59.625%0.24633%0.33CS..Hα-helixtrans-59.4-38.7175.2171.2-90000112.3F202 T207 D213 Y214 G224 T226F202-F217 HydrophobicContact CD1-CB 4.08Å; F202-F217 HydrophobicContact CE1-CB 4.13Å; T207-F217 HydrophobicContact CG2-CB 3.93Å; T207-F217 HydrophobicContact CG2-CD2 3.42Å; T207-F217 VanDerWaalsContact CG2-CD2 3.42Å; T207-F217 HydrophobicContact CG2-CE2 4.03Å; T207-F217 HydrophobicContact CG2-CG 3.72Å; D213-F217 WeakPolarHBondContact O-CB 3.34Å; D213-F217 PolarHBondContact O-N 3.24Å; Y214-F217 PolarHBondContact O-N 3.25Å; F217-G224 VanDerWaalsContact CD2-CA 3.41Å; F217-T226 WeakPolarHBondContact CE2-OG1 3.27Å
218S97.2Very high96Very high59 Ų5964.7 Ų64.741%0.41336%0.362SS..THydrogen-bonded Turntrans-89.4-3.3-178.7-51.50000113.4Y214 I216Y214-S218 WeakPolarHBondContact CE2-OG 3.47Å; Y214-S218 VanDerWaalsContact O-CB 3.28Å; Y214-S218 WeakPolarHBondContact O-CB 3.44Å; Y214-S218 PolarHBondContact O-N 2.85Å; Y214-S218 PolarHBondContact O-OG 3.08Å; I216-S218 VanDerWaalsContact C-N 3.27Å; I216-S218 PolarHBondContact O-N 3.3Å
219D97.6Very high96.1Very high17 Ų1758.6 Ų58.69%0.09134%0.336CS..  trans-69.6129.1-179-167.4-64.3000110R188 L191 E215 I216 R221 T222R188-D219 WeakPolarHBondContact CD-OD2 3.49Å; R188-D219 HydrophobicContact CG-CB 4.33Å; L191-D219 HydrophobicContact CD1-CB 3.95Å; E215-D219 PolarHBondContact O-N 3.19Å; I216-D219 WeakPolarHBondContact O-CB 3.48Å; I216-D219 PolarHBondContact O-N 3.46Å; D219-R221 PolarHBondContact O-N 2.8Å; D219-R221 WeakPolarHBondContact OD1-CB 3.34Å; D219-R221 WeakPolarHBondContact OD1-CG 3.48Å; D219-R221 IonicContact OD1-CZ 3.55Å; D219-R221 PolarHBondContact OD1-N 2.78Å; D219-R221 IonicContact OD1-NE 3.75Å; D219-R221 PolarHBondContact OD1-NE 3.49Å; D219-R221 IonicContact OD1-NH2 3.25Å; D219-R221 IonicContact OD2-CZ 3.32Å; D219-R221 IonicContact OD2-NE 3.3Å; D219-R221 IonicContact OD2-NH2 2.68Å; D219-R221 PolarHBondContact OD2-NH2 3.06Å; D219-T222 PolarHBondContact O-N 3.41Å; D219-T222 PolarHBondContact O-OG1 3.17Å; D219-T222 VanDerWaalsContact O-OG1 3.13Å
220P97.6Very high96.5Very high131 Ų13151 Ų5185%0.85130%0.302SS*.THydrogen-bonded Turntrans-57.4-17.6-178.6-26.434.4000115.4T222P220-T222 VanDerWaalsContact C-N 3.27Å
221R97.8Very high97.1Very high121 Ų12152.7 Ų52.746%0.45729%0.289SS..THydrogen-bonded Turntrans-78.3-10.4176.1-64.7171.8-70.8175.9-0.7113.1L191 D219L191-R221 HydrophobicContact CD1-CB 4.42Å; D219-R221 PolarHBondContact O-N 2.8Å; D219-R221 WeakPolarHBondContact OD1-CB 3.34Å; D219-R221 WeakPolarHBondContact OD1-CG 3.48Å; D219-R221 IonicContact OD1-CZ 3.55Å; D219-R221 PolarHBondContact OD1-N 2.78Å; D219-R221 IonicContact OD1-NE 3.75Å; D219-R221 PolarHBondContact OD1-NE 3.49Å; D219-R221 IonicContact OD1-NH2 3.25Å; D219-R221 IonicContact OD2-CZ 3.32Å; D219-R221 IonicContact OD2-NE 3.3Å; D219-R221 IonicContact OD2-NH2 2.68Å; D219-R221 PolarHBondContact OD2-NH2 3.06Å
222T98.3Very high97.5Very high17 Ų1754.3 Ų54.310%0.10429%0.294CS..EExtended strand (participates in β ladder)trans-117154-177.975.90000112.2L191 I200 F202 I216 D219 P220L191-T222 HydrophobicContact CD1-CG2 3.95Å; L191-T222 HydrophobicContact CD2-CG2 3.69Å; L191-T222 HydrophobicContact CG-CG2 4.5Å; I200-T222 HydrophobicContact CB-CG2 4.49Å; I200-T222 HydrophobicContact CG2-CG2 4.16Å; I200-T222 CarbonylContact O-C 3.08Å; I200-T222 WeakPolarHBondContact O-CA 3.44Å; F202-T222 HydrophobicContact CB-CG2 4.34Å; I216-T222 HydrophobicContact CG1-CG2 4.22Å; I216-T222 PolarHBondContact O-OG1 3.43Å; D219-T222 PolarHBondContact O-N 3.41Å; D219-T222 PolarHBondContact O-OG1 3.17Å; D219-T222 VanDerWaalsContact O-OG1 3.13Å; P220-T222 VanDerWaalsContact C-N 3.27Å
223I98.5Very high97.8Very high82 Ų8250.8 Ų50.842%0.42128%0.276SS..EExtended strand (participates in β ladder)trans-101.3104.8160.7-56.2178.2000105.7T199 I200 H201 F202 H225T199-I223 HydrophobicContact CG2-CD1 3.62Å; T199-I223 HydrophobicContact CG2-CG1 4.4Å; I200-I223 PolarHBondContact O-N 3.28Å; H201-I223 WeakPolarHBondContact CA-O 3.35Å; F202-I223 PolarHBondContact N-O 2.89Å; I223-H225 WeakPolarHBondContact CG2-NE2 3.4Å; I223-H225 PolarHBondContact O-CD2 3.28Å; I223-H225 PolarHBondContact O-NE2 2.86Å
224G98.4Very high97.9Very high26 Ų2651.5 Ų51.527%0.26828%0.279SS..EExtended strand (participates in β ladder)trans-76.7135.8-178.400000113.4F202 F217F202-G224 CarbonylContact O-C 3.57Å; F217-G224 VanDerWaalsContact CD2-CA 3.41Å
225H98.7Very high98Very high36 Ų3650.3 Ų50.317%0.16729%0.286CS..EExtended strand (participates in β ladder)trans-125.6106.8176.7-61.1-84.8000108.5H201 F202 F203 G204 I223 V227H201-H225 AromaticContact CE1-NE2 3.87Å; H201-H225 AromaticContact CG-NE2 3.74Å; H201-H225 AromaticContact ND1-CD2 3.82Å; H201-H225 AromaticContact ND1-CE1 3.57Å; H201-H225 AromaticContact ND1-NE2 2.88Å; H201-H225 PolarHBondContact ND1-NE2 2.9Å; F202-H225 PolarHBondContact O-CD2 2.87Å; F202-H225 PolarHBondContact O-N 3.42Å; F203-H225 WeakPolarHBondContact CA-O 3.46Å; F203-H225 HydrophobicContact CD1-CB 3.34Å; F203-H225 AromaticContact CD1-CG 3.86Å; F203-H225 HydrophobicContact CE1-CB 3.53Å; F203-H225 AromaticContact CE1-CD2 3.95Å; F203-H225 AromaticContact CE1-CG 3.52Å; F203-H225 HydrophobicContact CG-CB 3.98Å; F203-H225 HydrophobicContact CZ-CB 4.31Å; F203-H225 AromaticContact CZ-CD2 3.87Å; F203-H225 AromaticContact CZ-CG 3.9Å; G204-H225 PolarHBondContact N-O 2.91Å; I223-H225 WeakPolarHBondContact CG2-NE2 3.4Å; I223-H225 PolarHBondContact O-CD2 3.28Å; I223-H225 PolarHBondContact O-NE2 2.86Å; H225-V227 PolarHBondContact O-N 3.28Å
226T98.6Very high98.2Very high64 Ų6450 Ų5039%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-70.7130171.8-54.50000109G204 T207 F217 Q236G204-T226 WeakPolarHBondContact O-CA 3.48Å; T207-T226 WeakPolarHBondContact OG1-CG2 3.39Å; T207-T226 PolarHBondContact OG1-OG1 2.68Å; F217-T226 WeakPolarHBondContact CE2-OG1 3.27Å; T226-Q236 PolarHBondContact O-NE2 3.26Å
227V98.4Very high98.2Very high2 Ų250 Ų501%0.01228%0.284CS..  trans-119.5153.2175-60.80000111.1T14 F203 G204 D205 H225 N232 T233T14-V227 HydrophobicContact CG2-CG2 3.89Å; F203-V227 HydrophobicContact CB-CG1 4.27Å; F203-V227 HydrophobicContact CD1-CG1 3.94Å; G204-V227 WeakPolarHBondContact O-CG2 3.22Å; G204-V227 PolarHBondContact O-N 3.21Å; D205-V227 WeakPolarHBondContact CA-O 3.26Å; D205-V227 HydrophobicContact CB-CG2 4.49Å; H225-V227 PolarHBondContact O-N 3.28Å; V227-N232 VanDerWaalsContact CA-OD1 3.28Å; V227-N232 WeakPolarHBondContact CA-OD1 3.35Å; V227-T233 WeakPolarHBondContact CB-OG1 3.21Å; V227-T233 HydrophobicContact CG1-CG2 4.47Å; V227-T233 WeakPolarHBondContact CG1-OG1 3.35Å
228T97.6Very high98.2Very high119 Ų11951.4 Ų51.473%0.7329%0.29SS*.SBendtrans-115.3-12.9-179.154.70000113.5N232T228-N232 PolarHBondContact N-OD1 3.3Å
229S97.9Very high98.3Very high32 Ų3252.5 Ų52.522%0.22430%0.303CS..SBendtrans-166.7167.2176.283.70000110.6E231 N232 T233S229-E231 VanDerWaalsContact C-N 3.28Å; S229-E231 VanDerWaalsContact CB-OE2 3.28Å; S229-E231 WeakPolarHBondContact CB-OE2 3.34Å; S229-E231 PolarHBondContact O-N 2.85Å; S229-E231 PolarHBondContact OG-N 3.43Å; S229-E231 PolarHBondContact OG-OE2 3.44Å; S229-N232 WeakPolarHBondContact O-CB 3.44Å; S229-N232 PolarHBondContact O-N 2.89Å; S229-N232 PolarHBondContact OG-N 3.21Å; S229-T233 PolarHBondContact O-N 2.82Å; S229-T233 PolarHBondContact O-OG1 3.08Å
230P98.3Very high98.2Very high10 Ų1054.5 Ų54.57%0.06531%0.313CS..Hα-helixtrans-53.1-43170.2-27.336.8000113.7T14 M26 N232 T233 E234T14-P230 WeakPolarHBondContact O-CA 3.41Å; M26-P230 VanDerWaalsContact CE-C 3.48Å; M26-P230 HydrophobicContact CE-CB 3.81Å; M26-P230 WeakPolarHBondContact CE-O 3.4Å; P230-N232 VanDerWaalsContact C-N 3.27Å; P230-N232 PolarHBondContact O-N 3.42Å; P230-T233 WeakPolarHBondContact O-CB 3.3Å; P230-T233 PolarHBondContact O-N 2.95Å; P230-T233 VanDerWaalsContact O-N 3.15Å; P230-E234 PolarHBondContact O-N 3.32Å
231E98.3Very high98.2Very high110 Ų11049.1 Ų49.151%0.51428%0.276SS..Hα-helixtrans-64.6-34.4178.9-57.375.3-163.600111.8S229 A235S229-E231 VanDerWaalsContact C-N 3.28Å; S229-E231 VanDerWaalsContact CB-OE2 3.28Å; S229-E231 WeakPolarHBondContact CB-OE2 3.34Å; S229-E231 PolarHBondContact O-N 2.85Å; S229-E231 PolarHBondContact OG-N 3.43Å; S229-E231 PolarHBondContact OG-OE2 3.44Å; E231-A235 WeakPolarHBondContact O-CB 3.39Å; E231-A235 PolarHBondContact O-N 3.34Å
232N98.5Very high98Very high49 Ų4947.5 Ų47.526%0.26228%0.282SS..Hα-helixtrans-68.6-41.3173-179.4-103.6000111.7V227 T228 S229 P230 E234 A235 Q236V227-N232 VanDerWaalsContact CA-OD1 3.28Å; V227-N232 WeakPolarHBondContact CA-OD1 3.35Å; T228-N232 PolarHBondContact N-OD1 3.3Å; S229-N232 WeakPolarHBondContact O-CB 3.44Å; S229-N232 PolarHBondContact O-N 2.89Å; S229-N232 PolarHBondContact OG-N 3.21Å; P230-N232 VanDerWaalsContact C-N 3.27Å; P230-N232 PolarHBondContact O-N 3.42Å; N232-E234 VanDerWaalsContact C-N 3.33Å; N232-E234 PolarHBondContact O-N 3.34Å; N232-A235 PolarHBondContact O-N 2.95Å; N232-Q236 WeakPolarHBondContact O-CG 3.33Å; N232-Q236 PolarHBondContact O-N 2.96Å; N232-Q236 PolarHBondContact OD1-NE2 3.43Å
233T98.7Very high97.8Very high0 Ų052.4 Ų52.40%030%0.303CS..Hα-helixtrans-57.2-46.6172.8-53.50000111.3F9 T14 L15 F203 V227 S229 P230 A235 Q236 L237F9-T233 HydrophobicContact CD1-CG2 4.03Å; F9-T233 HydrophobicContact CE1-CG2 3.98Å; T14-T233 HydrophobicContact CG2-CG2 4.49Å; T14-T233 PolarHBondContact O-OG1 2.9Å; T14-T233 VanDerWaalsContact O-OG1 3.12Å; L15-T233 HydrophobicContact CD2-CG2 4.28Å; F203-T233 HydrophobicContact CD1-CG2 4.38Å; V227-T233 WeakPolarHBondContact CB-OG1 3.21Å; V227-T233 HydrophobicContact CG1-CG2 4.47Å; V227-T233 WeakPolarHBondContact CG1-OG1 3.35Å; S229-T233 PolarHBondContact O-N 2.82Å; S229-T233 PolarHBondContact O-OG1 3.08Å; P230-T233 WeakPolarHBondContact O-CB 3.3Å; P230-T233 PolarHBondContact O-N 2.95Å; P230-T233 VanDerWaalsContact O-N 3.15Å; T233-A235 PolarHBondContact O-N 3.48Å; T233-Q236 PolarHBondContact O-N 2.7Å; T233-L237 HydrophobicContact CG2-CD1 4.08Å; T233-L237 WeakPolarHBondContact O-CG 3.33Å; T233-L237 PolarHBondContact O-N 3.46Å
234E98.5Very high97.4Very high16 Ų1652.6 Ų52.68%0.07530%0.299CS..Hα-helixtrans-60.4-45.2176.6-174.3-178.9148.800112.2H25 M26 F29 P230 N232 Q236 L237 K238H25-E234 IonicContact CE1-OE1 3.26Å; H25-E234 PolarHBondContact CE1-OE1 3.48Å; H25-E234 VanDerWaalsContact CE1-OE1 3.26Å; H25-E234 IonicContact CE1-OE2 3.02Å; H25-E234 PolarHBondContact CE1-OE2 2.89Å; H25-E234 IonicContact ND1-OE2 3.56Å; H25-E234 PolarHBondContact ND1-OE2 3.15Å; M26-E234 HydrophobicContact CE-CB 3.81Å; F29-E234 HydrophobicContact CD1-CG 3.86Å; F29-E234 HydrophobicContact CD2-CG 4.21Å; F29-E234 HydrophobicContact CE1-CB 4.33Å; F29-E234 HydrophobicContact CE1-CG 3.76Å; F29-E234 HydrophobicContact CE2-CG 4.12Å; F29-E234 HydrophobicContact CG-CG 4.09Å; F29-E234 HydrophobicContact CZ-CG 3.89Å; P230-E234 PolarHBondContact O-N 3.32Å; N232-E234 VanDerWaalsContact C-N 3.33Å; N232-E234 PolarHBondContact O-N 3.34Å; E234-Q236 VanDerWaalsContact C-N 3.31Å; E234-Q236 PolarHBondContact O-N 2.87Å; E234-L237 PolarHBondContact O-N 2.98Å; E234-K238 HydrophobicContact CG-CD 4.18Å; E234-K238 WeakPolarHBondContact O-CB 3.29Å; E234-K238 WeakPolarHBondContact O-CG 3.31Å; E234-K238 PolarHBondContact O-N 3.42Å; E234-K238 VanDerWaalsContact OE1-CE 3.25Å; E234-K238 WeakPolarHBondContact OE1-CE 3.37Å; E234-K238 IonicContact OE1-NZ 3.21Å; E234-K238 PolarHBondContact OE1-NZ 3.47Å
235A98.5Very high96.5Very high55 Ų5554.5 Ų54.546%0.45531%0.308SS..Hα-helixtrans-60.8-40.7178.800000112E231 N232 T233 K238 A239E231-A235 WeakPolarHBondContact O-CB 3.39Å; E231-A235 PolarHBondContact O-N 3.34Å; N232-A235 PolarHBondContact O-N 2.95Å; T233-A235 PolarHBondContact O-N 3.48Å; A235-K238 PolarHBondContact O-N 3.45Å; A235-A239 PolarHBondContact O-N 3.35Å
236Q98.6Very high96.4Very high47 Ų4755.5 Ų55.522%0.2232%0.315CS..Hα-helixtrans-68.1-41.1176.3-67-169.145.300112F203 T226 N232 T233 E234 K238 A239 L240F203-Q236 HydrophobicContact CE1-CB 4.02Å; T226-Q236 PolarHBondContact O-NE2 3.26Å; N232-Q236 WeakPolarHBondContact O-CG 3.33Å; N232-Q236 PolarHBondContact O-N 2.96Å; N232-Q236 PolarHBondContact OD1-NE2 3.43Å; T233-Q236 PolarHBondContact O-N 2.7Å; E234-Q236 VanDerWaalsContact C-N 3.31Å; E234-Q236 PolarHBondContact O-N 2.87Å; Q236-K238 VanDerWaalsContact C-N 3.34Å; Q236-K238 PolarHBondContact O-N 3.37Å; Q236-A239 PolarHBondContact O-N 2.97Å; Q236-L240 WeakPolarHBondContact O-CB 3.35Å; Q236-L240 PolarHBondContact O-N 3Å
237L98.4Very high96.3Very high0 Ų055 Ų550%031%0.311CS..Hα-helixtrans-62.7-40.1175.1-72.4169.1000112F9 F29 L30 L33 F203 T233 E234 A239 L240 F241F9-L237 HydrophobicContact CE1-CD1 3.79Å; F9-L237 HydrophobicContact CE1-CD2 3.99Å; F9-L237 HydrophobicContact CE1-CG 4.27Å; F9-L237 HydrophobicContact CZ-CD1 3.89Å; F9-L237 HydrophobicContact CZ-CD2 3.85Å; F9-L237 HydrophobicContact CZ-CG 4.45Å; F29-L237 HydrophobicContact CE1-CB 4.05Å; F29-L237 HydrophobicContact CE1-CD1 3.75Å; F29-L237 HydrophobicContact CZ-CB 3.96Å; F29-L237 HydrophobicContact CZ-CD1 4.48Å; L30-L237 HydrophobicContact CD2-CD1 4.09Å; L33-L237 HydrophobicContact CD2-CB 4.2Å; L33-L237 HydrophobicContact CD2-CD1 4.07Å; L33-L237 HydrophobicContact CD2-CD2 4.09Å; L33-L237 HydrophobicContact CD2-CG 4.36Å; F203-L237 HydrophobicContact CE1-CD2 4.41Å; F203-L237 HydrophobicContact CE2-CD2 3.94Å; F203-L237 HydrophobicContact CZ-CD2 3.73Å; F203-L237 HydrophobicContact CZ-CG 4.34Å; T233-L237 HydrophobicContact CG2-CD1 4.08Å; T233-L237 WeakPolarHBondContact O-CG 3.33Å; T233-L237 PolarHBondContact O-N 3.46Å; E234-L237 PolarHBondContact O-N 2.98Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3Å; L237-L240 PolarHBondContact O-N 2.93Å; L237-F241 HydrophobicContact CD2-CD2 4.36Å; L237-F241 HydrophobicContact CD2-CE2 4.18Å; L237-F241 PolarHBondContact O-N 2.94Å
238K98.2Very high96.2Very high87 Ų8757.9 Ų57.938%0.37833%0.328SS..Hα-helixtrans-62.8-37.9174-76.7175.7167.1170.90112.9F29 E234 A235 Q236 F241 P242 C245F29-K238 HydrophobicContact CE2-CG 4.09Å; F29-K238 HydrophobicContact CZ-CG 4.19Å; E234-K238 HydrophobicContact CG-CD 4.18Å; E234-K238 WeakPolarHBondContact O-CB 3.29Å; E234-K238 WeakPolarHBondContact O-CG 3.31Å; E234-K238 PolarHBondContact O-N 3.42Å; E234-K238 VanDerWaalsContact OE1-CE 3.25Å; E234-K238 WeakPolarHBondContact OE1-CE 3.37Å; E234-K238 IonicContact OE1-NZ 3.21Å; E234-K238 PolarHBondContact OE1-NZ 3.47Å; A235-K238 PolarHBondContact O-N 3.45Å; Q236-K238 VanDerWaalsContact C-N 3.34Å; Q236-K238 PolarHBondContact O-N 3.37Å; K238-F241 CarbonylContact O-C 3.48Å; K238-P242 VanDerWaalsContact O-CA 3.29Å; K238-P242 WeakPolarHBondContact O-CA 3.36Å; K238-C245 HydrophobicContact CB-CB 4.44Å; K238-C245 HydrophobicContact CG-CB 3.77Å
239A98Very high96.1Very high82 Ų8254.4 Ų54.468%0.67830%0.304SS*.Hα-helixtrans-71.6-33.9176.100000112.3A235 Q236 L237A235-A239 PolarHBondContact O-N 3.35Å; Q236-A239 PolarHBondContact O-N 2.97Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3Å
240L97Very high96Very high58 Ų5855.8 Ų55.830%0.30431%0.309SS..Hα-helixtrans-78.1-33-179.7-170.962.4000112.6H201 F203 Q236 L237 P242H201-L240 HydrophobicContact CB-CD2 4.4Å; H201-L240 VanDerWaalsContact ND1-CD2 3.34Å; H201-L240 WeakPolarHBondContact ND1-CD2 3.34Å; F203-L240 HydrophobicContact CZ-CD2 4.24Å; Q236-L240 WeakPolarHBondContact O-CB 3.35Å; Q236-L240 PolarHBondContact O-N 3Å; L237-L240 PolarHBondContact O-N 2.93Å; L240-P242 VanDerWaalsContact C-CD 3.48Å
241F96.4Very high95.8Very high18 Ų1858.8 Ų58.88%0.07933%0.325CS..  trans-131.959.6-177-54.6-67000112.6V5 C7 L33 V37 L237 K238 E243 Y244 C245V5-F241 HydrophobicContact CG1-CE1 4.48Å; V5-F241 HydrophobicContact CG1-CZ 4.19Å; C7-F241 WeakPolarHBondContact SG-CE2 3.37Å; L33-F241 HydrophobicContact CD1-CB 4.31Å; L33-F241 HydrophobicContact CD1-CD2 4.42Å; V37-F241 HydrophobicContact CG1-CE1 4.23Å; V37-F241 HydrophobicContact CG1-CE2 4.09Å; V37-F241 HydrophobicContact CG1-CZ 3.79Å; V37-F241 HydrophobicContact CG2-CD1 3.83Å; V37-F241 HydrophobicContact CG2-CD2 4.31Å; V37-F241 HydrophobicContact CG2-CE1 3.89Å; V37-F241 HydrophobicContact CG2-CE2 4.36Å; V37-F241 HydrophobicContact CG2-CG 4.05Å; V37-F241 HydrophobicContact CG2-CZ 4.16Å; L237-F241 HydrophobicContact CD2-CD2 4.36Å; L237-F241 HydrophobicContact CD2-CE2 4.18Å; L237-F241 PolarHBondContact O-N 2.94Å; K238-F241 CarbonylContact O-C 3.48Å; F241-E243 PolarHBondContact O-N 2.85Å; F241-E243 VanDerWaalsContact O-N 3.16Å; F241-Y244 HydrophobicContact CB-CD2 3.89Å; F241-Y244 HydrophobicContact CD1-CD2 4.29Å; F241-Y244 HydrophobicContact CD1-CE2 4.36Å; F241-Y244 HydrophobicContact CG-CD2 4.35Å; F241-Y244 PolarHBondContact O-N 3.04Å; F241-Y244 VanDerWaalsContact O-N 3.14Å; F241-C245 PolarHBondContact O-SG 3.26Å
242P94.3Very high95.6Very high87 Ų8755.1 Ų55.157%0.56531%0.312SS*.THydrogen-bonded Turntrans-61-25.6-176.125.9-35.5000113.2K238 L240 Y244K238-P242 VanDerWaalsContact O-CA 3.29Å; K238-P242 WeakPolarHBondContact O-CA 3.36Å; L240-P242 VanDerWaalsContact C-CD 3.48Å; P242-Y244 VanDerWaalsContact C-N 3.33Å; P242-Y244 PolarHBondContact O-N 3.05Å
243E93.5Very high95.4Very high121 Ų12155.6 Ų55.657%0.56532%0.316SS*.THydrogen-bonded Turntrans-74.1-17.5179.367.3-84.5-166.600114.6F241F241-E243 PolarHBondContact O-N 2.85Å; F241-E243 VanDerWaalsContact O-N 3.16Å
244Y90.1Very high95.1Very high85 Ų8560.3 Ų60.333%0.33334%0.342SS..THydrogen-bonded Turntrans-107.5-5.6-177-56.1-46.6000113.9N36 V37 F241 P242N36-Y244 HydrophobicContact CB-CD1 3.49Å; N36-Y244 VanDerWaalsContact CB-CD1 3.49Å; N36-Y244 HydrophobicContact CB-CD2 3.75Å; N36-Y244 HydrophobicContact CB-CE1 3.74Å; N36-Y244 HydrophobicContact CB-CE2 4.03Å; N36-Y244 HydrophobicContact CB-CG 3.53Å; N36-Y244 VanDerWaalsContact CG-CD1 3.41Å; V37-Y244 HydrophobicContact CG2-CD2 3.69Å; V37-Y244 HydrophobicContact CG2-CE2 3.85Å; F241-Y244 HydrophobicContact CB-CD2 3.89Å; F241-Y244 HydrophobicContact CD1-CD2 4.29Å; F241-Y244 HydrophobicContact CD1-CE2 4.36Å; F241-Y244 HydrophobicContact CG-CD2 4.35Å; F241-Y244 PolarHBondContact O-N 3.04Å; F241-Y244 VanDerWaalsContact O-N 3.14Å; P242-Y244 VanDerWaalsContact C-N 3.33Å; P242-Y244 PolarHBondContact O-N 3.05Å
245C80.1Confident94.8Very high67 Ų6764.3 Ų64.345%0.45337%0.366SS..  trans-99.40-171.4-66.10000113.4F29 K32 K238 F241F29-C245 HydrophobicContact CE2-CB 4.4Å; K32-C245 PolarHBondContact NZ-OXT 3.07Å; K238-C245 HydrophobicContact CB-CB 4.44Å; K238-C245 HydrophobicContact CG-CB 3.77Å; F241-C245 PolarHBondContact O-SG 3.26Å

Retrieved 245 of 245 residues in 87.6 ms (Link to these results)

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