A0A077ZHT9_TRITR Loading...

Homeobox domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 111 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
1M54.8Low77.8Confident243 Ų243161.9 Ų161.9100%1.19776%0.762SS**  0126.60-72.6-172.4-175.500109.5Q3M1-Q3 PolarHBondContact O-N 3.2Å
2K64.4Low79.4Confident213 Ų213155.8 Ų155.893%0.92675%0.75SS**  trans-78.5108.3177-148.7115.9176.8175.60108R4K2-R4 PolarHBondContact O-N 2.99Å
3Q65Low80.8Confident192 Ų192156 Ų15690%0.89775%0.749SS**PPolyproline II helixtrans-55.6121178.5-82169.5-17.700109.7M1 R5M1-Q3 PolarHBondContact O-N 3.2Å; Q3-R5 PolarHBondContact O-N 3.06Å
4R74.2Confident82Confident239 Ų239147 Ų14790%0.90271%0.706SS**PPolyproline II helixtrans-67.7131.7172.3-64-174.574.8-173.24.4107.6K2K2-R4 PolarHBondContact O-N 2.99Å
5R71.7Confident83Confident210 Ų210142.2 Ų142.279%0.79269%0.685SS**PPolyproline II helixtrans-51.9137.1174-76.8174140.2-122.9-1.6109.6Q3 R7Q3-R5 PolarHBondContact O-N 3.06Å; R5-R7 PolarHBondContact O-N 3.38Å
6P77.4Confident84Confident118 Ų118139.8 Ų139.877%0.76668%0.676SS**PPolyproline II helixtrans-50.8139.3174.3-26.533.7000111.1T8P6-T8 PolarHBondContact O-N 2.96Å
7R81.9Confident84.8Confident253 Ų253135.4 Ų135.496%0.95565%0.654SS**PPolyproline II helixtrans-70.9119.5177.2-168.6173.7-169.2154.50.3108.4R5R5-R7 PolarHBondContact O-N 3.38Å
8T83Confident85.5Confident77 Ų77127.9 Ų127.947%0.47262%0.617SS.*PPolyproline II helixtrans-82130.2175.7590000109.5P6P6-T8 PolarHBondContact O-N 2.96Å
9S90.9Very high86.2Confident117 Ų117123.7 Ų123.782%0.81860%0.597SS**PPolyproline II helixtrans-95.7136167.2-166.20000109.4
10F95.3Very high86.7Confident42 Ų42123 Ų12318%0.18459%0.587CS.*PPolyproline II helixtrans-92.7145.5173.5-59.3-58.6000109.6Q14 L15 L42 Q46 W50F10-Q14 HydrophobicContact CB-CB 4.24Å; F10-L15 HydrophobicContact CB-CD2 3.84Å; F10-L15 HydrophobicContact CB-CG 3.97Å; F10-L15 HydrophobicContact CD2-CD2 4.07Å; F10-L15 HydrophobicContact CG-CD2 4.36Å; F10-L42 HydrophobicContact CD1-CD1 3.92Å; F10-L42 HydrophobicContact CD1-CD2 3.83Å; F10-L42 HydrophobicContact CE1-CD1 3.84Å; F10-L42 HydrophobicContact CE1-CD2 3.81Å; F10-L42 HydrophobicContact CE1-CG 4.46Å; F10-Q46 HydrophobicContact CE1-CB 4.14Å; F10-Q46 HydrophobicContact CE1-CG 4.46Å; F10-Q46 HydrophobicContact CZ-CB 4.2Å; F10-W50 AromaticContact CD2-CD1 3.75Å; F10-W50 HydrophobicContact CE2-CB 4.32Å; F10-W50 AromaticContact CE2-CD1 3.52Å; F10-W50 HydrophobicContact CE2-CG 4.29Å
11T97.2Very high87.2Confident77 Ų77119 Ų11947%0.47257%0.568SS.*PPolyproline II helixtrans-69.5160.6173.9730000110.7Q13 Q14 L15T11-Q13 VanDerWaalsContact C-N 3.28Å; T11-Q13 PolarHBondContact O-N 3.29Å; T11-Q14 PolarHBondContact O-N 3.37Å; T11-Q14 VanDerWaalsContact OG1-CG 3.28Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.36Å; T11-Q14 PolarHBondContact OG1-N 3.34Å; T11-L15 WeakPolarHBondContact O-CG 3.41Å; T11-L15 PolarHBondContact O-N 2.89Å
12S97Very high89.3Confident89 Ų89107.5 Ų107.562%0.62251%0.511SS*.Hα-helixtrans-56.3-44176.3-173.30000111.7Q14 L15 I16S12-Q14 PolarHBondContact O-N 3.19Å; S12-L15 PolarHBondContact O-N 3Å; S12-I16 WeakPolarHBondContact O-CG1 3.41Å; S12-I16 PolarHBondContact O-N 3.29Å
13Q97.4Very high90.8Very high158 Ų158104.3 Ų104.374%0.73850%0.497SS*.Hα-helixtrans-62.6-42.1177.3-68.5-164.6-50.100112.7T11 L15 I16 E17T11-Q13 VanDerWaalsContact C-N 3.28Å; T11-Q13 PolarHBondContact O-N 3.29Å; Q13-L15 VanDerWaalsContact C-N 3.3Å; Q13-L15 PolarHBondContact O-N 3.28Å; Q13-I16 PolarHBondContact O-N 3.3Å; Q13-E17 PolarHBondContact O-N 3.01Å; Q13-E17 VanDerWaalsContact O-N 3.1Å
14Q98Very high92.3Very high30 Ų3099.7 Ų99.714%0.1448%0.476CS..Hα-helixtrans-60-41.8175.5-74.4171.8-22.300111.5F10 T11 S12 L18 L40F10-Q14 HydrophobicContact CB-CB 4.24Å; T11-Q14 PolarHBondContact O-N 3.37Å; T11-Q14 VanDerWaalsContact OG1-CG 3.28Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.36Å; T11-Q14 PolarHBondContact OG1-N 3.34Å; S12-Q14 PolarHBondContact O-N 3.19Å; Q14-L18 WeakPolarHBondContact O-CB 3.38Å; Q14-L18 WeakPolarHBondContact O-CD1 3.37Å; Q14-L18 WeakPolarHBondContact O-CG 3.39Å; Q14-L18 PolarHBondContact O-N 2.78Å; Q14-L40 HydrophobicContact CG-CB 4.36Å; Q14-L40 PolarHBondContact NE2-O 3.28Å
15L97.5Very high93.4Very high75 Ų7592.6 Ų92.639%0.39345%0.451SS..Hα-helixtrans-65.4-41178.7-67.9173.4000112.5F10 T11 S12 Q13 L18 E19F10-L15 HydrophobicContact CB-CD2 3.84Å; F10-L15 HydrophobicContact CB-CG 3.97Å; F10-L15 HydrophobicContact CD2-CD2 4.07Å; F10-L15 HydrophobicContact CG-CD2 4.36Å; T11-L15 WeakPolarHBondContact O-CG 3.41Å; T11-L15 PolarHBondContact O-N 2.89Å; S12-L15 PolarHBondContact O-N 3Å; Q13-L15 VanDerWaalsContact C-N 3.3Å; Q13-L15 PolarHBondContact O-N 3.28Å; L15-L18 PolarHBondContact O-N 3.27Å; L15-E19 WeakPolarHBondContact O-CB 3.19Å; L15-E19 PolarHBondContact O-N 3.04Å
16I97.8Very high94.5Very high104 Ų10485.8 Ų85.853%0.53343%0.428SS..Hα-helixtrans-60.7-49.6177.5-68.4165.4000110.3S12 Q13 E19 R20S12-I16 WeakPolarHBondContact O-CG1 3.41Å; S12-I16 PolarHBondContact O-N 3.29Å; Q13-I16 PolarHBondContact O-N 3.3Å; I16-E19 PolarHBondContact O-N 3.05Å; I16-R20 WeakPolarHBondContact O-CB 3.49Å; I16-R20 PolarHBondContact O-N 3.46Å
17E97.6Very high95.5Very high65 Ų6587.8 Ų87.830%0.30442%0.421SS..Hα-helixtrans-65.8-40.6179.3-77.1-59.7116.300112.5Q13 E19 R20 K21 L40Q13-E17 PolarHBondContact O-N 3.01Å; Q13-E17 VanDerWaalsContact O-N 3.1Å; E17-E19 VanDerWaalsContact C-N 3.31Å; E17-E19 PolarHBondContact O-N 3.29Å; E17-R20 PolarHBondContact O-N 3.4Å; E17-R20 IonicContact OE1-NE 3.35Å; E17-R20 PolarHBondContact OE1-NE 3.23Å; E17-R20 IonicContact OE2-CZ 3Å; E17-R20 IonicContact OE2-NE 3.01Å; E17-R20 PolarHBondContact OE2-NE 3.27Å; E17-R20 IonicContact OE2-NH2 3.88Å; E17-R20 PolarHBondContact OE2-NH2 3.16Å; E17-K21 WeakPolarHBondContact O-CG 3.47Å; E17-K21 PolarHBondContact O-N 3Å; E17-L40 HydrophobicContact CB-CD1 4.09Å; E17-L40 HydrophobicContact CB-CD2 3.59Å; E17-L40 HydrophobicContact CB-CG 4.44Å; E17-L40 HydrophobicContact CG-CD2 3.91Å
18L98.1Very high96.2Very high0 Ų076.8 Ų76.80%038%0.381CS..Hα-helixtrans-60.2-42.1174.6-74.4166.2000111.6Q14 L15 F22 I36 L40 L42 V47 W50 F51Q14-L18 WeakPolarHBondContact O-CB 3.38Å; Q14-L18 WeakPolarHBondContact O-CD1 3.37Å; Q14-L18 WeakPolarHBondContact O-CG 3.39Å; Q14-L18 PolarHBondContact O-N 2.78Å; L15-L18 PolarHBondContact O-N 3.27Å; L18-F22 WeakPolarHBondContact O-CB 3.4Å; L18-F22 PolarHBondContact O-N 3.45Å; L18-I36 HydrophobicContact CD2-CG2 3.98Å; L18-L40 HydrophobicContact CD2-CD1 3.87Å; L18-L40 HydrophobicContact CG-CD1 3.7Å; L18-L42 HydrophobicContact CD1-CD1 4.25Å; L18-V47 HydrophobicContact CD2-CG1 4.32Å; L18-W50 VanDerWaalsContact C-CH2 3.46Å; L18-W50 HydrophobicContact CB-CD2 3.91Å; L18-W50 HydrophobicContact CB-CE3 3.92Å; L18-W50 HydrophobicContact CB-CH2 3.66Å; L18-W50 HydrophobicContact CB-CZ2 3.6Å; L18-W50 HydrophobicContact CB-CZ3 3.81Å; L18-W50 HydrophobicContact CD1-CD2 3.87Å; L18-W50 HydrophobicContact CD1-CG 3.83Å; L18-W50 HydrophobicContact CD2-CD2 4.27Å; L18-W50 HydrophobicContact CD2-CE3 4.15Å; L18-W50 HydrophobicContact CG-CD2 4.24Å; L18-W50 HydrophobicContact CG-CE3 4.42Å; L18-W50 WeakPolarHBondContact O-CH2 3.47Å; L18-W50 WeakPolarHBondContact O-CZ3 3.49Å; L18-F51 HydrophobicContact CD2-CE2 4Å
19E98Very high96.9Very high49 Ų4975.8 Ų75.823%0.22938%0.377CS..Hα-helixtrans-67.7-40.4176.8-167.665.3-147.200111.8L15 I16 E17 F22 K23 R54L15-E19 WeakPolarHBondContact O-CB 3.19Å; L15-E19 PolarHBondContact O-N 3.04Å; I16-E19 PolarHBondContact O-N 3.05Å; E17-E19 VanDerWaalsContact C-N 3.31Å; E17-E19 PolarHBondContact O-N 3.29Å; E19-F22 PolarHBondContact O-N 3.35Å; E19-K23 WeakPolarHBondContact O-CG 3.33Å; E19-K23 PolarHBondContact O-N 3.43Å; E19-R54 VanDerWaalsContact CD-NE 3.3Å; E19-R54 IonicContact OE1-CZ 3.04Å; E19-R54 VanDerWaalsContact OE1-CZ 3.28Å; E19-R54 IonicContact OE1-NE 3.82Å; E19-R54 PolarHBondContact OE1-NE 3.21Å; E19-R54 IonicContact OE1-NH2 3.72Å; E19-R54 PolarHBondContact OE1-NH2 2.95Å; E19-R54 WeakPolarHBondContact OE2-CD 3.41Å; E19-R54 IonicContact OE2-CZ 2.78Å; E19-R54 IonicContact OE2-NE 3.28Å; E19-R54 PolarHBondContact OE2-NE 3.43Å; E19-R54 IonicContact OE2-NH2 3.29Å
20R97.8Very high97.2Very high108 Ų10879.6 Ų79.641%0.40837%0.374SS..Hα-helixtrans-57.7-52.5174-173.3-179.771.995.7-15.9110.9I16 E17 F22 K23 E24I16-R20 WeakPolarHBondContact O-CB 3.49Å; I16-R20 PolarHBondContact O-N 3.46Å; E17-R20 PolarHBondContact O-N 3.4Å; E17-R20 IonicContact OE1-NE 3.35Å; E17-R20 PolarHBondContact OE1-NE 3.23Å; E17-R20 IonicContact OE2-CZ 3Å; E17-R20 IonicContact OE2-NE 3.01Å; E17-R20 PolarHBondContact OE2-NE 3.27Å; E17-R20 IonicContact OE2-NH2 3.88Å; E17-R20 PolarHBondContact OE2-NH2 3.16Å; R20-F22 VanDerWaalsContact C-N 3.29Å; R20-F22 PolarHBondContact O-N 3.41Å; R20-K23 WeakPolarHBondContact O-CB 3.37Å; R20-K23 PolarHBondContact O-N 3.35Å; R20-E24 IonicContact CZ-OE1 2.71Å; R20-E24 IonicContact NH1-OE1 2.77Å; R20-E24 PolarHBondContact NH1-OE1 2.71Å; R20-E24 PolarHBondContact O-N 3.29Å
21K97Very high97.3Very high39 Ų3981.5 Ų81.517%0.1739%0.39CS..Hα-helixtrans-63.2-33.5177.3-64.4-61.2-178.884.60112.7E17 K23 E24 F25 I36 F51E17-K21 WeakPolarHBondContact O-CG 3.47Å; E17-K21 PolarHBondContact O-N 3Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-E24 PolarHBondContact O-N 2.89Å; K21-F25 PolarHBondContact O-N 2.81Å; K21-I36 HydrophobicContact CB-CD1 3.8Å; K21-I36 HydrophobicContact CB-CG1 4.5Å; K21-I36 HydrophobicContact CD-CD1 4.43Å; K21-I36 HydrophobicContact CD-CG1 4.47Å; K21-I36 HydrophobicContact CG-CD1 3.9Å; K21-I36 HydrophobicContact CG-CG1 4.05Å; K21-F51 HydrophobicContact CB-CZ 4.23Å
22F97.8Very high97.3Very high2 Ų279.9 Ų79.91%0.00938%0.377CS..Hα-helixtrans-67.8-31.8173.9-177.8-102.5000113L18 E19 R20 E24 F25 K26 W50 F51 R54 R55 W58L18-F22 WeakPolarHBondContact O-CB 3.4Å; L18-F22 PolarHBondContact O-N 3.45Å; E19-F22 PolarHBondContact O-N 3.35Å; R20-F22 VanDerWaalsContact C-N 3.29Å; R20-F22 PolarHBondContact O-N 3.41Å; F22-E24 VanDerWaalsContact C-N 3.34Å; F22-F25 CarbonylContact O-C 3.41Å; F22-K26 HydrophobicContact CD1-CD 4.44Å; F22-K26 HydrophobicContact CE1-CD 3.94Å; F22-K26 HydrophobicContact CE2-CB 4.42Å; F22-K26 HydrophobicContact CE2-CD 4.04Å; F22-K26 HydrophobicContact CZ-CD 3.72Å; F22-K26 WeakPolarHBondContact O-CD 3.48Å; F22-K26 PolarHBondContact O-NZ 2.97Å; F22-W50 HydrophobicContact CB-CH2 4.18Å; F22-W50 HydrophobicContact CB-CZ3 3.98Å; F22-W50 HydrophobicContact CG-CZ3 4.43Å; F22-F51 HydrophobicContact CB-CE1 4.1Å; F22-F51 HydrophobicContact CB-CZ 4.28Å; F22-F51 AromaticContact CD2-CD1 3.87Å; F22-F51 HydrophobicContact CD2-CD1 3.87Å; F22-F51 AromaticContact CD2-CE1 3.87Å; F22-F51 HydrophobicContact CD2-CE1 3.87Å; F22-R54 HydrophobicContact CB-CG 4.41Å; F22-R54 HydrophobicContact CD1-CG 3.6Å; F22-R54 HydrophobicContact CD2-CB 4.32Å; F22-R54 HydrophobicContact CD2-CG 3.68Å; F22-R54 HydrophobicContact CE1-CG 3.69Å; F22-R54 HydrophobicContact CE2-CB 4.31Å; F22-R54 HydrophobicContact CE2-CG 3.76Å; F22-R54 HydrophobicContact CG-CG 3.61Å; F22-R54 HydrophobicContact CZ-CG 3.77Å; F22-R55 HydrophobicContact CE2-CG 3.82Å; F22-R55 HydrophobicContact CZ-CG 4.31Å; F22-W58 HydrophobicContact CE1-CB 4.33Å; F22-W58 HydrophobicContact CE1-CG 4.44Å; F22-W58 HydrophobicContact CZ-CB 4.07Å; F22-W58 HydrophobicContact CZ-CD2 4.46Å; F22-W58 HydrophobicContact CZ-CG 4.26Å
23K96.4Very high97.3Very high147 Ų14778.7 Ų78.764%0.63936%0.359SS*.Hα-helixtrans-63.4-43.8173.5-72.2173.8-176.6-1800110.7E19 R20 K21 K26E19-K23 WeakPolarHBondContact O-CG 3.33Å; E19-K23 PolarHBondContact O-N 3.43Å; R20-K23 WeakPolarHBondContact O-CB 3.37Å; R20-K23 PolarHBondContact O-N 3.35Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K23-K26 PolarHBondContact O-NZ 2.76Å
24E96.5Very high97.3Very high94 Ų9477.9 Ų77.944%0.43935%0.35SS..Hα-helixtrans-67.6-49.7177.2-62.2167.4-149.400112.3R20 K21 F22R20-E24 IonicContact CZ-OE1 2.71Å; R20-E24 IonicContact NH1-OE1 2.77Å; R20-E24 PolarHBondContact NH1-OE1 2.71Å; R20-E24 PolarHBondContact O-N 3.29Å; K21-E24 PolarHBondContact O-N 2.89Å; F22-E24 VanDerWaalsContact C-N 3.34Å
25F96.1Very high97.3Very high90 Ų9082 Ų8240%0.39537%0.369SS..  trans-133.6114.7-175.5-50.4-74.1000111.8K21 F22 Y27 L28 F51K21-F25 PolarHBondContact O-N 2.81Å; F22-F25 CarbonylContact O-C 3.41Å; F25-Y27 VanDerWaalsContact C-N 3.27Å; F25-Y27 PolarHBondContact O-N 2.77Å; F25-L28 HydrophobicContact CB-CD2 4.35Å; F25-F51 WeakPolarHBondContact O-CE1 3.46Å
26K96.4Very high97.3Very high67 Ų6778.7 Ų78.729%0.29135%0.352SS..SBendtrans-71.3-23.4178.6-53.8-59.1166.8-148.90113.5F22 K23 R55F22-K26 HydrophobicContact CD1-CD 4.44Å; F22-K26 HydrophobicContact CE1-CD 3.94Å; F22-K26 HydrophobicContact CE2-CB 4.42Å; F22-K26 HydrophobicContact CE2-CD 4.04Å; F22-K26 HydrophobicContact CZ-CD 3.72Å; F22-K26 WeakPolarHBondContact O-CD 3.48Å; F22-K26 PolarHBondContact O-NZ 2.97Å; K23-K26 PolarHBondContact O-NZ 2.76Å; K26-R55 WeakPolarHBondContact O-CD 3.42Å; K26-R55 PolarHBondContact O-NH1 3.06Å
27Y97.9Very high97.3Very high160 Ų16074 Ų7463%0.62733%0.329SS*.SBendtrans-131.8130.2179.9-61.1-94.9000108.2F25F25-Y27 VanDerWaalsContact C-N 3.27Å; F25-Y27 PolarHBondContact O-N 2.77Å
28L96.5Very high97.3Very high23 Ų2374.9 Ų74.912%0.1234%0.339CS..  trans-95.4130.1179.2-63.7178.4000110.6F25 Q32 R33 I36 V47 F51F25-L28 HydrophobicContact CB-CD2 4.35Å; L28-Q32 HydrophobicContact CB-CB 4.44Å; L28-Q32 HydrophobicContact CD2-CB 4.01Å; L28-R33 HydrophobicContact CB-CB 4.41Å; L28-R33 HydrophobicContact CD1-CB 4.4Å; L28-I36 HydrophobicContact CD1-CD1 3.78Å; L28-I36 HydrophobicContact CD2-CD1 3.58Å; L28-I36 HydrophobicContact CG-CD1 4.34Å; L28-V47 HydrophobicContact CD1-CG1 3.58Å; L28-F51 HydrophobicContact CD1-CD1 3.94Å; L28-F51 HydrophobicContact CD1-CD2 3.48Å; L28-F51 VanDerWaalsContact CD1-CD2 3.48Å; L28-F51 HydrophobicContact CD1-CE1 3.82Å; L28-F51 HydrophobicContact CD1-CE2 3.4Å; L28-F51 HydrophobicContact CD1-CG 3.78Å; L28-F51 HydrophobicContact CD1-CZ 3.57Å; L28-F51 HydrophobicContact CD2-CD1 4.38Å; L28-F51 HydrophobicContact CD2-CE1 3.7Å; L28-F51 HydrophobicContact CD2-CE2 4.44Å; L28-F51 HydrophobicContact CD2-CZ 3.75Å; L28-F51 HydrophobicContact CG-CD1 3.7Å; L28-F51 HydrophobicContact CG-CD2 4.2Å; L28-F51 HydrophobicContact CG-CE1 3.51Å; L28-F51 HydrophobicContact CG-CE2 4.07Å; L28-F51 HydrophobicContact CG-CG 4.04Å; L28-F51 HydrophobicContact CG-CZ 3.73Å
29S97.3Very high97.3Very high55 Ų5578.5 Ų78.539%0.38537%0.368SS..  trans-69.1169.816272.60000110.8P31 Q32 R33S29-P31 WeakPolarHBondContact OG-CD 3.28Å; S29-Q32 WeakPolarHBondContact OG-CG 3.26Å; S29-Q32 PolarHBondContact OG-OE1 3.1Å; S29-Q32 VanDerWaalsContact OG-OE1 3.13Å; S29-R33 WeakPolarHBondContact O-CB 3.33Å; S29-R33 PolarHBondContact O-N 2.87Å
30R97.2Very high97.3Very high198 Ų19877.3 Ų77.375%0.74736%0.364SS*.Hα-helixtrans-61.7-46.3178.8-176177178.8-145.3-0.7112.4R33 Y34R30-R33 PolarHBondContact O-N 2.91Å; R30-Y34 PolarHBondContact O-N 2.92Å; R30-Y34 VanDerWaalsContact O-N 3.11Å
31P97.2Very high97.2Very high82 Ų8277.4 Ų77.453%0.53238%0.381SS..Hα-helixtrans-59.2-47.7175.5-25.534.9000113.2S29 R33 Y34 E35S29-P31 WeakPolarHBondContact OG-CD 3.28Å; P31-R33 VanDerWaalsContact C-N 3.28Å; P31-R33 PolarHBondContact O-N 3.43Å; P31-Y34 WeakPolarHBondContact O-CB 3.43Å; P31-Y34 PolarHBondContact O-N 2.95Å; P31-Y34 VanDerWaalsContact O-N 3.08Å; P31-E35 WeakPolarHBondContact O-CG 3.36Å; P31-E35 PolarHBondContact O-N 3.46Å
32Q97Very high97.2Very high42 Ų4276.5 Ų76.520%0.19638%0.378CS..Hα-helixtrans-60.8-38.2179.8-67.7172.5-4200112.2L28 S29 I36L28-Q32 HydrophobicContact CB-CB 4.44Å; L28-Q32 HydrophobicContact CD2-CB 4.01Å; S29-Q32 WeakPolarHBondContact OG-CG 3.26Å; S29-Q32 PolarHBondContact OG-OE1 3.1Å; S29-Q32 VanDerWaalsContact OG-OE1 3.13Å; Q32-I36 WeakPolarHBondContact O-CD1 3.39Å; Q32-I36 VanDerWaalsContact O-CG1 3.24Å; Q32-I36 WeakPolarHBondContact O-CG1 3.41Å; Q32-I36 PolarHBondContact O-N 2.95Å; Q32-I36 VanDerWaalsContact O-N 3.09Å
33R98Very high97.1Very high65 Ų6579 Ų7925%0.24540%0.395CS..Hα-helixtrans-63.9-43176.2-172.1-167.6-57.1150.35.3111.6L28 S29 R30 P31 A37 E44 V47L28-R33 HydrophobicContact CB-CB 4.41Å; L28-R33 HydrophobicContact CD1-CB 4.4Å; S29-R33 WeakPolarHBondContact O-CB 3.33Å; S29-R33 PolarHBondContact O-N 2.87Å; R30-R33 PolarHBondContact O-N 2.91Å; P31-R33 VanDerWaalsContact C-N 3.28Å; P31-R33 PolarHBondContact O-N 3.43Å; R33-A37 WeakPolarHBondContact O-CB 3.44Å; R33-A37 PolarHBondContact O-N 3.4Å; R33-E44 WeakPolarHBondContact CD-O 3.32Å; R33-E44 HydrophobicContact CG-CB 4.09Å; R33-E44 HydrophobicContact CG-CG 4.18Å; R33-V47 HydrophobicContact CG-CB 4.28Å; R33-V47 HydrophobicContact CG-CG1 4.22Å
34Y98.1Very high97.2Very high140 Ų14075.3 Ų75.355%0.54938%0.38SS..Hα-helixtrans-62.5-47.3177.2176.9-97.7000111.2R30 P31 I36 A37 T38R30-Y34 PolarHBondContact O-N 2.92Å; R30-Y34 VanDerWaalsContact O-N 3.11Å; P31-Y34 WeakPolarHBondContact O-CB 3.43Å; P31-Y34 PolarHBondContact O-N 2.95Å; P31-Y34 VanDerWaalsContact O-N 3.08Å; Y34-I36 PolarHBondContact O-N 3.18Å; Y34-A37 WeakPolarHBondContact O-CB 3.42Å; Y34-A37 PolarHBondContact O-N 3.2Å; Y34-T38 PolarHBondContact O-N 2.88Å; Y34-T38 PolarHBondContact O-OG1 2.99Å; Y34-T38 VanDerWaalsContact O-OG1 3.12Å
35E97.8Very high97.2Very high117 Ų11773.6 Ų73.655%0.54737%0.374SS..Hα-helixtrans-57.5-47.2177.6-71.4171.5-164.300112.5P31 A39P31-E35 WeakPolarHBondContact O-CG 3.36Å; P31-E35 PolarHBondContact O-N 3.46Å; E35-A39 VanDerWaalsContact O-CB 3.26Å; E35-A39 WeakPolarHBondContact O-CB 3.3Å; E35-A39 PolarHBondContact O-N 3.06Å
36I97.5Very high97.2Very high5 Ų571.5 Ų71.53%0.02637%0.366CS..Hα-helixtrans-66.8-40.6179.3-65167.9000111.1L18 K21 L28 Q32 Y34 A39 L40 V47 F51L18-I36 HydrophobicContact CD2-CG2 3.98Å; K21-I36 HydrophobicContact CB-CD1 3.8Å; K21-I36 HydrophobicContact CB-CG1 4.5Å; K21-I36 HydrophobicContact CD-CD1 4.43Å; K21-I36 HydrophobicContact CD-CG1 4.47Å; K21-I36 HydrophobicContact CG-CD1 3.9Å; K21-I36 HydrophobicContact CG-CG1 4.05Å; L28-I36 HydrophobicContact CD1-CD1 3.78Å; L28-I36 HydrophobicContact CD2-CD1 3.58Å; L28-I36 HydrophobicContact CG-CD1 4.34Å; Q32-I36 WeakPolarHBondContact O-CD1 3.39Å; Q32-I36 VanDerWaalsContact O-CG1 3.24Å; Q32-I36 WeakPolarHBondContact O-CG1 3.41Å; Q32-I36 PolarHBondContact O-N 2.95Å; Q32-I36 VanDerWaalsContact O-N 3.09Å; Y34-I36 PolarHBondContact O-N 3.18Å; I36-A39 PolarHBondContact O-N 3.2Å; I36-L40 HydrophobicContact CG2-CD1 3.78Å; I36-L40 HydrophobicContact CG2-CG 4.37Å; I36-L40 WeakPolarHBondContact O-CB 3.43Å; I36-L40 WeakPolarHBondContact O-CG 3.36Å; I36-L40 PolarHBondContact O-N 3.47Å; I36-V47 HydrophobicContact CB-CG1 4.32Å; I36-V47 HydrophobicContact CG2-CG1 3.9Å; I36-V47 HydrophobicContact CG2-CG2 4.15Å; I36-F51 HydrophobicContact CD1-CE2 4.46Å; I36-F51 HydrophobicContact CD1-CZ 4.32Å
37A97.9Very high97.3Very high5 Ų568.3 Ų68.34%0.04135%0.352CS..Hα-helixtrans-59.8-49.6178.100000111.1R33 Y34 L40 S41 L42 E44 V47R33-A37 WeakPolarHBondContact O-CB 3.44Å; R33-A37 PolarHBondContact O-N 3.4Å; Y34-A37 WeakPolarHBondContact O-CB 3.42Å; Y34-A37 PolarHBondContact O-N 3.2Å; A37-L40 PolarHBondContact O-N 3.28Å; A37-S41 PolarHBondContact O-N 2.87Å; A37-S41 VanDerWaalsContact O-N 3.09Å; A37-L42 CarbonylContact C-O 3.59Å; A37-L42 WeakPolarHBondContact CA-O 3.14Å; A37-L42 VanDerWaalsContact CB-O 3.27Å; A37-L42 WeakPolarHBondContact CB-O 3.39Å; A37-L42 PolarHBondContact O-N 3.06Å; A37-L42 VanDerWaalsContact O-O 3.1Å; A37-E44 HydrophobicContact CB-CG 4.04Å; A37-V47 HydrophobicContact CB-CG2 4.1Å
38T97.8Very high97.2Very high85 Ų8565.2 Ų65.252%0.52134%0.342SS..Hα-helixtrans-64.3-45.6177.9-57.30000111.7Y34 L40 S41Y34-T38 PolarHBondContact O-N 2.88Å; Y34-T38 PolarHBondContact O-OG1 2.99Å; Y34-T38 VanDerWaalsContact O-OG1 3.12Å; T38-L40 VanDerWaalsContact C-N 3.28Å; T38-L40 PolarHBondContact O-N 2.96Å; T38-S41 PolarHBondContact O-N 3.38Å
39A97.4Very high97.3Very high75 Ų7567.4 Ų67.462%0.6235%0.353SS*.Hα-helixtrans-64-31.1-178.700000113.6E35 I36E35-A39 VanDerWaalsContact O-CB 3.26Å; E35-A39 WeakPolarHBondContact O-CB 3.3Å; E35-A39 PolarHBondContact O-N 3.06Å; I36-A39 PolarHBondContact O-N 3.2Å
40L96.9Very high97.3Very high24 Ų2466.1 Ų66.113%0.12634%0.339CS..THydrogen-bonded Turntrans-102.64-176.9-60-176.3000113.9Q14 E17 L18 I36 A37 T38 L42Q14-L40 HydrophobicContact CG-CB 4.36Å; Q14-L40 PolarHBondContact NE2-O 3.28Å; E17-L40 HydrophobicContact CB-CD1 4.09Å; E17-L40 HydrophobicContact CB-CD2 3.59Å; E17-L40 HydrophobicContact CB-CG 4.44Å; E17-L40 HydrophobicContact CG-CD2 3.91Å; L18-L40 HydrophobicContact CD2-CD1 3.87Å; L18-L40 HydrophobicContact CG-CD1 3.7Å; I36-L40 HydrophobicContact CG2-CD1 3.78Å; I36-L40 HydrophobicContact CG2-CG 4.37Å; I36-L40 WeakPolarHBondContact O-CB 3.43Å; I36-L40 WeakPolarHBondContact O-CG 3.36Å; I36-L40 PolarHBondContact O-N 3.47Å; A37-L40 PolarHBondContact O-N 3.28Å; T38-L40 VanDerWaalsContact C-N 3.28Å; T38-L40 PolarHBondContact O-N 2.96Å; L40-L42 HydrophobicContact CB-CD1 4.04Å; L40-L42 HydrophobicContact CB-CG 4.02Å; L40-L42 HydrophobicContact CD1-CD1 4.41Å; L40-L42 PolarHBondContact O-N 2.98Å
41S97Very high97.3Very high111 Ų11156.8 Ų56.878%0.77631%0.305SS*.THydrogen-bonded Turntrans51.644.3-172.7-58.60000112.5A37 T38A37-S41 PolarHBondContact O-N 2.87Å; A37-S41 VanDerWaalsContact O-N 3.09Å; T38-S41 PolarHBondContact O-N 3.38Å
42L96.1Very high97.3Very high20 Ų2058 Ų5811%0.10530%0.303CS..  trans-116.2157.5177.3-65179.9000110.2F10 L18 A37 L40 Q46 V47F10-L42 HydrophobicContact CD1-CD1 3.92Å; F10-L42 HydrophobicContact CD1-CD2 3.83Å; F10-L42 HydrophobicContact CE1-CD1 3.84Å; F10-L42 HydrophobicContact CE1-CD2 3.81Å; F10-L42 HydrophobicContact CE1-CG 4.46Å; L18-L42 HydrophobicContact CD1-CD1 4.25Å; A37-L42 CarbonylContact C-O 3.59Å; A37-L42 WeakPolarHBondContact CA-O 3.14Å; A37-L42 VanDerWaalsContact CB-O 3.27Å; A37-L42 WeakPolarHBondContact CB-O 3.39Å; A37-L42 PolarHBondContact O-N 3.06Å; A37-L42 VanDerWaalsContact O-O 3.1Å; L40-L42 HydrophobicContact CB-CD1 4.04Å; L40-L42 HydrophobicContact CB-CG 4.02Å; L40-L42 HydrophobicContact CD1-CD1 4.41Å; L40-L42 PolarHBondContact O-N 2.98Å; L42-Q46 HydrophobicContact CB-CB 4.48Å; L42-V47 HydrophobicContact CB-CG2 4.1Å; L42-V47 HydrophobicContact CD1-CG2 4.39Å
43S96.8Very high97.3Very high53 Ų5360.8 Ų60.837%0.37132%0.319SS..  trans-74.5147.816864.30000111.4N45 Q46 V47S43-N45 PolarHBondContact O-N 2.96Å; S43-N45 VanDerWaalsContact O-N 3.09Å; S43-Q46 WeakPolarHBondContact O-CB 3.38Å; S43-Q46 PolarHBondContact O-N 3.46Å; S43-Q46 VanDerWaalsContact OG-CG 3.27Å; S43-Q46 WeakPolarHBondContact OG-CG 3.48Å; S43-Q46 PolarHBondContact OG-N 2.79Å; S43-Q46 PolarHBondContact OG-OE1 3.46Å; S43-V47 PolarHBondContact O-N 2.92Å; S43-V47 VanDerWaalsContact O-N 3.11Å
44E97.8Very high97.3Very high70 Ų7060 Ų6033%0.32732%0.316SS..Hα-helixtrans-51-36.5171.9-75.5-172.473.100112.3R33 A37 V47 K48R33-E44 WeakPolarHBondContact CD-O 3.32Å; R33-E44 HydrophobicContact CG-CB 4.09Å; R33-E44 HydrophobicContact CG-CG 4.18Å; A37-E44 HydrophobicContact CB-CG 4.04Å; E44-V47 PolarHBondContact O-N 3.49Å; E44-K48 VanDerWaalsContact O-CB 3.27Å; E44-K48 WeakPolarHBondContact O-CB 3.24Å; E44-K48 PolarHBondContact O-N 3.36Å
45N96.6Very high97.3Very high59 Ų5956 Ų5632%0.31630%0.3SS..Hα-helixtrans-66.9-38.6177.7-174.562.8000112.5S43 K48 I49S43-N45 PolarHBondContact O-N 2.96Å; S43-N45 VanDerWaalsContact O-N 3.09Å; N45-K48 PolarHBondContact O-N 3.13Å; N45-K48 WeakPolarHBondContact OD1-CE 3.38Å; N45-K48 PolarHBondContact OD1-NZ 3.4Å; N45-I49 WeakPolarHBondContact ND2-CD1 3.4Å; N45-I49 WeakPolarHBondContact O-CB 3.38Å; N45-I49 VanDerWaalsContact O-CG1 3.27Å; N45-I49 WeakPolarHBondContact O-CG1 3.32Å; N45-I49 PolarHBondContact O-N 2.95Å
46Q96.5Very high97.2Very high46 Ų4654.1 Ų54.122%0.21529%0.292CS..Hα-helixtrans-63.7-45.9174.2-77.5164.2-6000111.2F10 L42 S43 K48 I49 W50F10-Q46 HydrophobicContact CE1-CB 4.14Å; F10-Q46 HydrophobicContact CE1-CG 4.46Å; F10-Q46 HydrophobicContact CZ-CB 4.2Å; L42-Q46 HydrophobicContact CB-CB 4.48Å; S43-Q46 WeakPolarHBondContact O-CB 3.38Å; S43-Q46 PolarHBondContact O-N 3.46Å; S43-Q46 VanDerWaalsContact OG-CG 3.27Å; S43-Q46 WeakPolarHBondContact OG-CG 3.48Å; S43-Q46 PolarHBondContact OG-N 2.79Å; S43-Q46 PolarHBondContact OG-OE1 3.46Å; Q46-K48 VanDerWaalsContact C-N 3.35Å; Q46-K48 PolarHBondContact O-N 3.09Å; Q46-I49 PolarHBondContact O-N 3.46Å; Q46-W50 WeakPolarHBondContact O-CB 3.49Å; Q46-W50 PolarHBondContact O-N 3.31Å
47V97.3Very high97Very high0 Ų060.5 Ų60.50%032%0.32CS..Hα-helixtrans-60.5-45.9176.2-179.80000110.3L18 L28 R33 I36 A37 L42 S43 E44 I49 W50 F51L18-V47 HydrophobicContact CD2-CG1 4.32Å; L28-V47 HydrophobicContact CD1-CG1 3.58Å; R33-V47 HydrophobicContact CG-CB 4.28Å; R33-V47 HydrophobicContact CG-CG1 4.22Å; I36-V47 HydrophobicContact CB-CG1 4.32Å; I36-V47 HydrophobicContact CG2-CG1 3.9Å; I36-V47 HydrophobicContact CG2-CG2 4.15Å; A37-V47 HydrophobicContact CB-CG2 4.1Å; L42-V47 HydrophobicContact CB-CG2 4.1Å; L42-V47 HydrophobicContact CD1-CG2 4.39Å; S43-V47 PolarHBondContact O-N 2.92Å; S43-V47 VanDerWaalsContact O-N 3.11Å; E44-V47 PolarHBondContact O-N 3.49Å; V47-I49 PolarHBondContact O-N 3.06Å; V47-W50 PolarHBondContact O-N 3.22Å; V47-F51 HydrophobicContact CG1-CD2 3.85Å; V47-F51 HydrophobicContact CG1-CE2 3.97Å; V47-F51 WeakPolarHBondContact O-CD2 3.48Å; V47-F51 PolarHBondContact O-N 2.91Å
48K97.4Very high96.9Very high95 Ų9565.9 Ų65.941%0.41334%0.339SS..Hα-helixtrans-56.3-49.4176.4-178-170.269.5-1770112.2E44 N45 Q46 F51 Q52E44-K48 VanDerWaalsContact O-CB 3.27Å; E44-K48 WeakPolarHBondContact O-CB 3.24Å; E44-K48 PolarHBondContact O-N 3.36Å; N45-K48 PolarHBondContact O-N 3.13Å; N45-K48 WeakPolarHBondContact OD1-CE 3.38Å; N45-K48 PolarHBondContact OD1-NZ 3.4Å; Q46-K48 VanDerWaalsContact C-N 3.35Å; Q46-K48 PolarHBondContact O-N 3.09Å; K48-F51 PolarHBondContact O-N 3.09Å; K48-Q52 PolarHBondContact O-N 3.38Å
49I96.8Very high96.7Very high69 Ų6967.4 Ų67.435%0.35434%0.339SS..Hα-helixtrans-65.1-42.5179.4-70167.4000110.5N45 Q46 V47 F51 Q52 N53N45-I49 WeakPolarHBondContact ND2-CD1 3.4Å; N45-I49 WeakPolarHBondContact O-CB 3.38Å; N45-I49 VanDerWaalsContact O-CG1 3.27Å; N45-I49 WeakPolarHBondContact O-CG1 3.32Å; N45-I49 PolarHBondContact O-N 2.95Å; Q46-I49 PolarHBondContact O-N 3.46Å; V47-I49 PolarHBondContact O-N 3.06Å; I49-F51 PolarHBondContact O-N 3.24Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 2.9Å; I49-N53 PolarHBondContact O-N 3.37Å; I49-N53 PolarHBondContact O-ND2 2.92Å
50W97.6Very high96.3Very high27 Ų2772 Ų7210%0.10234%0.34CS..Hα-helixtrans-60.2-48177.4-173.199.6000111F10 L18 F22 Q46 V47 Q52 N53 R54F10-W50 AromaticContact CD2-CD1 3.75Å; F10-W50 HydrophobicContact CE2-CB 4.32Å; F10-W50 AromaticContact CE2-CD1 3.52Å; F10-W50 HydrophobicContact CE2-CG 4.29Å; L18-W50 VanDerWaalsContact C-CH2 3.46Å; L18-W50 HydrophobicContact CB-CD2 3.91Å; L18-W50 HydrophobicContact CB-CE3 3.92Å; L18-W50 HydrophobicContact CB-CH2 3.66Å; L18-W50 HydrophobicContact CB-CZ2 3.6Å; L18-W50 HydrophobicContact CB-CZ3 3.81Å; L18-W50 HydrophobicContact CD1-CD2 3.87Å; L18-W50 HydrophobicContact CD1-CG 3.83Å; L18-W50 HydrophobicContact CD2-CD2 4.27Å; L18-W50 HydrophobicContact CD2-CE3 4.15Å; L18-W50 HydrophobicContact CG-CD2 4.24Å; L18-W50 HydrophobicContact CG-CE3 4.42Å; L18-W50 WeakPolarHBondContact O-CH2 3.47Å; L18-W50 WeakPolarHBondContact O-CZ3 3.49Å; F22-W50 HydrophobicContact CB-CH2 4.18Å; F22-W50 HydrophobicContact CB-CZ3 3.98Å; F22-W50 HydrophobicContact CG-CZ3 4.43Å; Q46-W50 WeakPolarHBondContact O-CB 3.49Å; Q46-W50 PolarHBondContact O-N 3.31Å; V47-W50 PolarHBondContact O-N 3.22Å; W50-Q52 VanDerWaalsContact C-N 3.3Å; W50-Q52 PolarHBondContact O-N 3.48Å; W50-N53 PolarHBondContact O-N 2.95Å; W50-R54 HydrophobicContact CD2-CB 4.45Å; W50-R54 HydrophobicContact CE3-CB 3.96Å; W50-R54 HydrophobicContact CE3-CG 4.49Å; W50-R54 HydrophobicContact CH2-CB 3.95Å; W50-R54 HydrophobicContact CH2-CG 3.64Å; W50-R54 HydrophobicContact CZ2-CB 4.46Å; W50-R54 HydrophobicContact CZ2-CG 4.37Å; W50-R54 HydrophobicContact CZ3-CB 3.69Å; W50-R54 HydrophobicContact CZ3-CG 3.72Å; W50-R54 VanDerWaalsContact O-CB 3.3Å; W50-R54 WeakPolarHBondContact O-CB 3.42Å; W50-R54 PolarHBondContact O-N 3.02Å
51F98.2Very high95.8Very high3 Ų374.5 Ų74.51%0.01336%0.359CS..Hα-helixtrans-62.3-37.1177.6-92.5-102.2000112.4L18 K21 F22 F25 L28 I36 V47 K48 I49 R54 R55L18-F51 HydrophobicContact CD2-CE2 4Å; K21-F51 HydrophobicContact CB-CZ 4.23Å; F22-F51 HydrophobicContact CB-CE1 4.1Å; F22-F51 HydrophobicContact CB-CZ 4.28Å; F22-F51 AromaticContact CD2-CD1 3.87Å; F22-F51 HydrophobicContact CD2-CD1 3.87Å; F22-F51 AromaticContact CD2-CE1 3.87Å; F22-F51 HydrophobicContact CD2-CE1 3.87Å; F25-F51 WeakPolarHBondContact O-CE1 3.46Å; L28-F51 HydrophobicContact CD1-CD1 3.94Å; L28-F51 HydrophobicContact CD1-CD2 3.48Å; L28-F51 VanDerWaalsContact CD1-CD2 3.48Å; L28-F51 HydrophobicContact CD1-CE1 3.82Å; L28-F51 HydrophobicContact CD1-CE2 3.4Å; L28-F51 HydrophobicContact CD1-CG 3.78Å; L28-F51 HydrophobicContact CD1-CZ 3.57Å; L28-F51 HydrophobicContact CD2-CD1 4.38Å; L28-F51 HydrophobicContact CD2-CE1 3.7Å; L28-F51 HydrophobicContact CD2-CE2 4.44Å; L28-F51 HydrophobicContact CD2-CZ 3.75Å; L28-F51 HydrophobicContact CG-CD1 3.7Å; L28-F51 HydrophobicContact CG-CD2 4.2Å; L28-F51 HydrophobicContact CG-CE1 3.51Å; L28-F51 HydrophobicContact CG-CE2 4.07Å; L28-F51 HydrophobicContact CG-CG 4.04Å; L28-F51 HydrophobicContact CG-CZ 3.73Å; I36-F51 HydrophobicContact CD1-CE2 4.46Å; I36-F51 HydrophobicContact CD1-CZ 4.32Å; V47-F51 HydrophobicContact CG1-CD2 3.85Å; V47-F51 HydrophobicContact CG1-CE2 3.97Å; V47-F51 WeakPolarHBondContact O-CD2 3.48Å; V47-F51 PolarHBondContact O-N 2.91Å; K48-F51 PolarHBondContact O-N 3.09Å; I49-F51 PolarHBondContact O-N 3.24Å; F51-R54 PolarHBondContact O-N 3.27Å; F51-R55 WeakPolarHBondContact O-CG 3.17Å; F51-R55 PolarHBondContact O-N 3.33Å
52Q97.5Very high94.9Very high108 Ų10873 Ų7351%0.50535%0.353SS..Hα-helixtrans-62.3-51.5173.5-174.8177.839.300111.4K48 I49 W50 R54 R55 M56K48-Q52 PolarHBondContact O-N 3.38Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 2.9Å; W50-Q52 VanDerWaalsContact C-N 3.3Å; W50-Q52 PolarHBondContact O-N 3.48Å; Q52-R54 VanDerWaalsContact C-N 3.28Å; Q52-R54 PolarHBondContact O-N 3.35Å; Q52-R55 PolarHBondContact O-N 3.44Å; Q52-M56 WeakPolarHBondContact O-CG 3.49Å; Q52-M56 PolarHBondContact O-N 3.47Å
53N97.1Very high93.6Very high99 Ų9977.8 Ų77.853%0.52938%0.38SS..Hα-helixtrans-60.3-39.7177.2-71.2-22.6000111.7I49 W50 M56 K57I49-N53 PolarHBondContact O-N 3.37Å; I49-N53 PolarHBondContact O-ND2 2.92Å; W50-N53 PolarHBondContact O-N 2.95Å; N53-M56 WeakPolarHBondContact O-CB 3.44Å; N53-M56 PolarHBondContact O-N 3.27Å; N53-K57 PolarHBondContact O-N 2.86Å
54R97.8Very high92.1Very high48 Ų4881.2 Ų81.218%0.18139%0.392CS..Hα-helixtrans-64.8-42.5178.8-176.164-170.293.2-4.6112E19 F22 W50 F51 Q52 M56 K57 W58E19-R54 VanDerWaalsContact CD-NE 3.3Å; E19-R54 IonicContact OE1-CZ 3.04Å; E19-R54 VanDerWaalsContact OE1-CZ 3.28Å; E19-R54 IonicContact OE1-NE 3.82Å; E19-R54 PolarHBondContact OE1-NE 3.21Å; E19-R54 IonicContact OE1-NH2 3.72Å; E19-R54 PolarHBondContact OE1-NH2 2.95Å; E19-R54 WeakPolarHBondContact OE2-CD 3.41Å; E19-R54 IonicContact OE2-CZ 2.78Å; E19-R54 IonicContact OE2-NE 3.28Å; E19-R54 PolarHBondContact OE2-NE 3.43Å; E19-R54 IonicContact OE2-NH2 3.29Å; F22-R54 HydrophobicContact CB-CG 4.41Å; F22-R54 HydrophobicContact CD1-CG 3.6Å; F22-R54 HydrophobicContact CD2-CB 4.32Å; F22-R54 HydrophobicContact CD2-CG 3.68Å; F22-R54 HydrophobicContact CE1-CG 3.69Å; F22-R54 HydrophobicContact CE2-CB 4.31Å; F22-R54 HydrophobicContact CE2-CG 3.76Å; F22-R54 HydrophobicContact CG-CG 3.61Å; F22-R54 HydrophobicContact CZ-CG 3.77Å; W50-R54 HydrophobicContact CD2-CB 4.45Å; W50-R54 HydrophobicContact CE3-CB 3.96Å; W50-R54 HydrophobicContact CE3-CG 4.49Å; W50-R54 HydrophobicContact CH2-CB 3.95Å; W50-R54 HydrophobicContact CH2-CG 3.64Å; W50-R54 HydrophobicContact CZ2-CB 4.46Å; W50-R54 HydrophobicContact CZ2-CG 4.37Å; W50-R54 HydrophobicContact CZ3-CB 3.69Å; W50-R54 HydrophobicContact CZ3-CG 3.72Å; W50-R54 VanDerWaalsContact O-CB 3.3Å; W50-R54 WeakPolarHBondContact O-CB 3.42Å; W50-R54 PolarHBondContact O-N 3.02Å; F51-R54 PolarHBondContact O-N 3.27Å; Q52-R54 VanDerWaalsContact C-N 3.28Å; Q52-R54 PolarHBondContact O-N 3.35Å; R54-M56 VanDerWaalsContact C-N 3.33Å; R54-K57 PolarHBondContact O-N 3.46Å; R54-W58 WeakPolarHBondContact O-CB 3.27Å; R54-W58 PolarHBondContact O-N 3.08Å
55R97.2Very high90.3Very high57 Ų5783.2 Ų83.222%0.21541%0.411CS..Hα-helixtrans-61.7-39.9171.5-77.5-168.7-64.4-84.4-1.7111.9F22 K26 F51 Q52 K57 W58 K59F22-R55 HydrophobicContact CE2-CG 3.82Å; F22-R55 HydrophobicContact CZ-CG 4.31Å; K26-R55 WeakPolarHBondContact O-CD 3.42Å; K26-R55 PolarHBondContact O-NH1 3.06Å; F51-R55 WeakPolarHBondContact O-CG 3.17Å; F51-R55 PolarHBondContact O-N 3.33Å; Q52-R55 PolarHBondContact O-N 3.44Å; R55-K57 VanDerWaalsContact C-N 3.34Å; R55-K57 PolarHBondContact O-N 2.86Å; R55-W58 PolarHBondContact O-N 3.28Å; R55-K59 WeakPolarHBondContact O-CB 3.44Å; R55-K59 PolarHBondContact O-N 3.33Å
56M96.3Very high88.1Confident77 Ų7787.2 Ų87.238%0.37943%0.433SS..Hα-helixtrans-60.2-44.4174.8-68.1-57.4-67.600111.6Q52 N53 R54 R60Q52-M56 WeakPolarHBondContact O-CG 3.49Å; Q52-M56 PolarHBondContact O-N 3.47Å; N53-M56 WeakPolarHBondContact O-CB 3.44Å; N53-M56 PolarHBondContact O-N 3.27Å; R54-M56 VanDerWaalsContact C-N 3.33Å; M56-R60 VanDerWaalsContact O-CG 3.32Å; M56-R60 WeakPolarHBondContact O-CG 3.27Å; M56-R60 PolarHBondContact O-N 3.04Å
57K94.1Very high86.1Confident139 Ų13993.2 Ų93.260%0.60446%0.458SS*.Hα-helixtrans-63.6-44.2174.8-174.1178.2178.8-176.30112N53 R54 R55 R60 S61N53-K57 PolarHBondContact O-N 2.86Å; R54-K57 PolarHBondContact O-N 3.46Å; R55-K57 VanDerWaalsContact C-N 3.34Å; R55-K57 PolarHBondContact O-N 2.86Å; K57-R60 PolarHBondContact O-N 3.29Å; K57-S61 PolarHBondContact O-N 3.43Å; K57-S61 PolarHBondContact O-OG 2.96Å
58W94.7Very high83.9Confident118 Ų11899 Ų9945%0.44749%0.493SS..Hα-helixtrans-59.4-48.8178176.254000111.7F22 R54 R55 R60 S61 A62F22-W58 HydrophobicContact CE1-CB 4.33Å; F22-W58 HydrophobicContact CE1-CG 4.44Å; F22-W58 HydrophobicContact CZ-CB 4.07Å; F22-W58 HydrophobicContact CZ-CD2 4.46Å; F22-W58 HydrophobicContact CZ-CG 4.26Å; R54-W58 WeakPolarHBondContact O-CB 3.27Å; R54-W58 PolarHBondContact O-N 3.08Å; R55-W58 PolarHBondContact O-N 3.28Å; W58-R60 PolarHBondContact O-N 3.11Å; W58-S61 PolarHBondContact O-N 3.11Å; W58-S61 VanDerWaalsContact O-N 3.16Å; W58-A62 PolarHBondContact O-N 2.93Å
59K93.1Very high81.3Confident118 Ų118101.7 Ų101.751%0.51351%0.512SS..Hα-helixtrans-61.4-41.7177.2-173.2175.367.9171.90112.6R55 S61 A62 N63R55-K59 WeakPolarHBondContact O-CB 3.44Å; R55-K59 PolarHBondContact O-N 3.33Å; K59-S61 VanDerWaalsContact C-N 3.29Å; K59-S61 PolarHBondContact O-N 3.09Å; K59-A62 PolarHBondContact O-N 2.78Å; K59-N63 PolarHBondContact O-ND2 3.12Å
60R90.2Very high79.2Confident170 Ų170103.2 Ų103.264%0.64254%0.535SS*.Hα-helixtrans-63.2-36.8176.3-74.8176.9-177.21710.8112.1M56 K57 W58 A62 N63 I64M56-R60 VanDerWaalsContact O-CG 3.32Å; M56-R60 WeakPolarHBondContact O-CG 3.27Å; M56-R60 PolarHBondContact O-N 3.04Å; K57-R60 PolarHBondContact O-N 3.29Å; W58-R60 PolarHBondContact O-N 3.11Å; R60-A62 VanDerWaalsContact C-N 3.27Å; R60-A62 PolarHBondContact O-N 2.95Å; R60-N63 PolarHBondContact O-N 3.22Å; R60-I64 WeakPolarHBondContact O-CG1 3.15Å
61S84.9Confident76.5Confident77 Ų77108.6 Ų108.654%0.53857%0.566SS.*Hα-helixtrans-69.5-25.8179.1-490000112.4K57 W58 K59K57-S61 PolarHBondContact O-N 3.43Å; K57-S61 PolarHBondContact O-OG 2.96Å; W58-S61 PolarHBondContact O-N 3.11Å; W58-S61 VanDerWaalsContact O-N 3.16Å; K59-S61 VanDerWaalsContact C-N 3.29Å; K59-S61 PolarHBondContact O-N 3.09Å
62A79.5Confident74.3Confident79 Ų79119.3 Ų119.365%0.65361%0.606SS**Hα-helixtrans-80.7-17.5178.500000114.3W58 K59 R60W58-A62 PolarHBondContact O-N 2.93Å; K59-A62 PolarHBondContact O-N 2.78Å; R60-A62 VanDerWaalsContact C-N 3.27Å; R60-A62 PolarHBondContact O-N 2.95Å
63N68.7Low71.7Confident122 Ų122118.8 Ų118.865%0.65261%0.61SS**SBendtrans-105.27.4-174.1-74.5-87.6000113.8K59 R60 P65K59-N63 PolarHBondContact O-ND2 3.12Å; R60-N63 PolarHBondContact O-N 3.22Å; N63-P65 WeakPolarHBondContact O-CD 3.27Å
64I65.6Low69.5Low124 Ų124120.4 Ų120.464%0.63662%0.624SS**  trans-105.196.6175.5-57.7166.9000107R60 D66R60-I64 WeakPolarHBondContact O-CG1 3.15Å; I64-D66 PolarHBondContact O-N 2.95Å
65P58.3Low67Low112 Ų112122.9 Ų122.973%0.72765%0.645SS**  trans-63.8127166.425.9-31000108.9N63 K67N63-P65 WeakPolarHBondContact O-CD 3.27Å; P65-K67 PolarHBondContact O-N 3.46Å
66D51.6Low65Low143 Ų143129.1 Ų129.177%0.76568%0.678SS**SBendtrans-2897.9176.6-157.5-82.9000115.6I64I64-D66 PolarHBondContact O-N 2.95Å
67K54.2Low62.6Low173 Ų173130.4 Ų130.475%0.75269%0.691SS**  trans-153.1100161.3-69.3-68.2165.3-82.50110.5P65P65-K67 PolarHBondContact O-N 3.46Å
68V51.1Low60.4Low121 Ų121129.4 Ų129.473%0.73370%0.696SS**SBendtrans72.5121.1139.3-171.60000119.3
69N43.8Very low58.3Low152 Ų152129.6 Ų129.681%0.81371%0.711SS**  trans73.793.2161-75.2-13.7000119.9
70A51.8Low56.2Low101 Ų101130.2 Ų130.284%0.83573%0.725SS**  trans-136.750.115000000111.4R72A70-R72 PolarHBondContact O-N 3.17Å
71D40.4Very low54.6Low140 Ų140127.9 Ų127.975%0.74973%0.729SS**  trans-68.383.5150.3-167.5-98.2000107.6
72R51.5Low53.4Low228 Ų228130.1 Ų130.186%0.8674%0.74SS**  trans-130.267.7161.7-92.1-170.5166.2-179-3.1108.2A70 T74A70-R72 PolarHBondContact O-N 3.17Å; R72-T74 PolarHBondContact O-N 3.45Å
73T43.5Very low52.2Low96 Ų96130.9 Ų130.959%0.58974%0.74SS**  trans-12.994140.6-52.90000112.2T75T73-T75 VanDerWaalsContact C-N 3.31Å; T73-T75 WeakPolarHBondContact CG2-OG1 3.27Å
74T52Low51.5Low133 Ų133133.1 Ų133.182%0.81675%0.747SS**  trans-97.172.2155.5-55.60000106.7R72R72-T74 PolarHBondContact O-N 3.45Å
75T43.8Very low50.8Low101 Ų101138.8 Ų138.862%0.6276%0.761SS**  trans-109.585.3166.2-38.40000105T73 T77T73-T75 VanDerWaalsContact C-N 3.31Å; T73-T75 WeakPolarHBondContact CG2-OG1 3.27Å; T75-T77 WeakPolarHBondContact CG2-OG1 3.39Å; T75-T77 PolarHBondContact O-N 3.31Å
76M55.5Low50.6Low187 Ų187142.9 Ų142.992%0.92177%0.767SS**  trans-78.893.7166.6-76.4-155.8144.800107.2
77T45.5Very low50.5Low104 Ų104141.8 Ų141.864%0.63877%0.767SS**  trans-132.1125.4168.4-22.90000108T75T75-T77 WeakPolarHBondContact CG2-OG1 3.39Å; T75-T77 PolarHBondContact O-N 3.31Å
78T48.5Very low50.2Low118 Ų118140.3 Ų140.372%0.72477%0.768SS**  trans84.2129.8147.6-13.10000120
79T50.1Low50.3Low123 Ų123139.3 Ų139.376%0.75577%0.772SS**  trans80.389.5148.732.80000120.2
80T50.6Low50.9Low130 Ų130140 Ų14080%0.79877%0.771SS**  -23.6139.5126.3-29.40000113.7
81T56.4Low50.8Low121 Ų121141.4 Ų141.474%0.74277%0.769SS**  trans136.499.7143.8-51.90000113.8
82T58.6Low51.5Low125 Ų125141 Ų14177%0.76777%0.772SS**  66.1129.6128.9-61.90000123
83S54.6Low51.4Low94 Ų94136.3 Ų136.366%0.65777%0.769SS**  trans82.4108.1147.3-84.20000122.5
84Q55.1Low52.1Low169 Ų169138.7 Ų138.779%0.7978%0.783SS**  55.4111.6122.2-57.8-16313.600119.4
85R50.4Low52Low244 Ų244139 Ų13992%0.92179%0.785SS**  175.3128.2112.4-91.6164.8-169.2-132.44110.9
86K54Low52.8Low198 Ų198140.7 Ų140.786%0.86180%0.795SS**  trans-93.6175.3155.7-73.3-169.7175.4-174.40107.1
87P49.4Very low52.9Low119 Ų119137.7 Ų137.777%0.77379%0.788SS**  cis-152.2174.421.845.5-24.1000119.2
88N47.8Very low53.8Low142 Ų142139.4 Ų139.476%0.75980%0.798SS**  trans68.1118.5137.5-151.556.2000123.5
89A53.4Low54.1Low100 Ų100136.8 Ų136.883%0.82680%0.795SS**  trans-154.7140.4139.500000110.8
90Q55.3Low54.3Low168 Ų168136 Ų13679%0.78580%0.8SS**  trans-76.6146-169.1-66.1154.4-12.300113.5
91T50.1Low55Low130 Ų130138.3 Ų138.380%0.79880%0.804SS**  trans-167.8115.9130.90.80000113.2
92T56.4Low55.3Low131 Ų131140.4 Ų140.480%0.80481%0.81SS**  trans58.5122.8138.451.80000123.5
93T48.6Very low55.4Low130 Ų130142 Ų14280%0.79881%0.813SS**  trans-51.8143.8164.745.90000117.1
94T57.1Low56.1Low146 Ų146143.3 Ų143.390%0.89682%0.819SS**  trans-161.4121.213027.60000110.4
95T51.3Low56.4Low140 Ų140140.1 Ų140.186%0.85982%0.822SS**  trans-74.4132170.816.40000110.6
96T60.4Low57.4Low135 Ų135138.9 Ų138.983%0.82882%0.818SS**  trans-151.5102155.7-620000110.2
97T56.5Low58Low125 Ų125134.4 Ų134.477%0.76781%0.811SS**  trans-21.9135147.2-56.40000114.2
98T65.3Low59.1Low140 Ų140136.1 Ų136.186%0.85981%0.809SS**  trans170.1134.1133.2-65.80000109.8
99G54.1Low60Low63 Ų63138.9 Ų138.965%0.64981%0.814SS**  trans119.452.9147.300000117.5M101G99-M101 PolarHBondContact O-N 3.43Å; G99-M101 VanDerWaalsContact O-N 3.17Å
100A55.7Low60.1Low105 Ų105143.2 Ų143.287%0.86882%0.818SS**  trans-62.9105.2153.100000109.4L102A100-L102 PolarHBondContact O-N 3.31Å
101M65.3Low60.4Low179 Ų179143.7 Ų143.788%0.88285%0.85SS**  trans-8791.8167.8-89.8-93.5-166.200108.7G99 L103G99-M101 PolarHBondContact O-N 3.43Å; G99-M101 VanDerWaalsContact O-N 3.17Å; M101-L103 PolarHBondContact O-N 3.19Å
102L61.4Low60.9Low166 Ų166144.4 Ų144.487%0.86985%0.853SS**  trans-60.2115.5166.9-166.374.2000109.2A100A100-L102 PolarHBondContact O-N 3.31Å
103L62.1Low61.1Low157 Ų157145.1 Ų145.182%0.82286%0.855SS**PPolyproline II helixtrans-83.5130.3167.6-102.782.6000109.4M101M101-L103 PolarHBondContact O-N 3.19Å
104P68.7Low61.8Low122 Ų122145.9 Ų145.979%0.79286%0.859SS**PPolyproline II helixtrans-73.8142.2177.827.2-31.4000112.7
105A61.1Low62.1Low103 Ų103145.9 Ų145.985%0.85186%0.856SS**PPolyproline II helixtrans-62.1131.2175.600000111.7
106R72.3Confident62.7Low218 Ų218146.3 Ų146.382%0.82386%0.856SS**  trans-92.7102.5176.7-168.3173.1165.4169.3-3.6109.2
107S65.8Low62.9Low103 Ų103147.1 Ų147.172%0.7286%0.858SS**  trans-77.1129.7166.2-1700000109.3
108Q71.7Confident63.4Low156 Ų156148.6 Ų148.673%0.72987%0.865SS**  trans-131.8122.4158.1-77.5-150.1-20.900109.1
109F67.2Low63.2Low200 Ų200149.3 Ų149.388%0.87787%0.865SS**  trans-52.8141.8174-94.6-108.9000112
110Q56Low64Low191 Ų191156.5 Ų156.589%0.89388%0.883SS**  trans-88.3134.8153.9-71.8177.863.100107.5
111A60.5Low64.7Low178 Ų178161.2 Ų161.2100%1.47188%0.884SS**  trans-122.10152.200000106.3

Retrieved 111 of 111 residues in 420.3 ms (Link to these results)