A0A077YW56_TRITR Loading...

Homeobox protein Hox-A7

AlphaFold DB , UniProt , Accession A0A077YW56, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 110 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
1M48.7Very low51.3Low246 Ų246143.8 Ų143.8100%1.21283%0.831SS**  094.90-65.5-165.8-177.200108.6
2A46.4Very low50.6Low102 Ų102137.2 Ų137.284%0.84382%0.817SS**  trans-119.395.6170.100000106.8
3T57.3Low50.3Low135 Ų135144.8 Ų144.883%0.82882%0.823SS**  trans-81.7137.9177.8-1.40000109.7
4N52.5Low50.2Low135 Ų135144.9 Ų144.972%0.72283%0.828SS**  trans-57.8149.6-168.1-55.4-62.8000115.4
5C51.9Low50.1Low143 Ų143140.1 Ų140.197%0.96682%0.822SS**  trans-117.888.5139.4-109.40000107.9L7C5-L7 PolarHBondContact O-N 3.47Å
6T55Low50.3Low103 Ų103141.5 Ų141.563%0.63282%0.819SS**  trans-70.5111.7171.1-54.50000108.7V8T6-V8 HydrophobicContact CG2-CG2 3.59Å; T6-V8 PolarHBondContact O-N 3.35Å
7L57.6Low50.5Low169 Ų169143.5 Ų143.589%0.88582%0.819SS**  trans-88.993.2162.7-170.9116.3000107.5C5C5-L7 PolarHBondContact O-N 3.47Å
8V48.5Very low51Low119 Ų119144.8 Ų144.872%0.72181%0.813SS**  trans-76.6121.3163-178.20000107.2T6T6-V8 HydrophobicContact CG2-CG2 3.59Å; T6-V8 PolarHBondContact O-N 3.35Å
9G47Very low52Low69 Ų69148.5 Ų148.571%0.71181%0.813SS**  trans-159.484.3174.700000109.5
10E52Low53.6Low163 Ų163147.9 Ų147.976%0.76282%0.815SS**  trans-70142.7177.5-94.2177.774.800113.3
11K46.9Very low55.1Low198 Ų198151.3 Ų151.386%0.86182%0.815SS**  trans43.8113.4148.8-79.9176.3173.7167.30120
12G43.8Very low57Low64 Ų64145.9 Ų145.966%0.6679%0.787SS**  trans-172.3116.3154.100000111.6
13R47Very low59.3Low237 Ų237146.3 Ų146.389%0.89478%0.779SS**  trans-73.7145.2-174.3-62.8173.8-178.5169.2-0.9111.1
14T48.2Very low61.1Low146 Ų146143 Ų14390%0.89675%0.752SS**SBendtrans54.6108151.356.70000118.3
15G49.2Very low63.3Low72 Ų72139.8 Ų139.874%0.74274%0.74SS**SBendtrans121.3112.116200000113.8Q17G15-Q17 PolarHBondContact O-N 3.41Å
16E52.4Low65.4Low163 Ų163137.8 Ų137.876%0.76273%0.728SS**  trans48.362.8160.1-162.5124.495.500117.1K18E16-K18 HydrophobicContact CG-CD 4.46Å; E16-K18 HydrophobicContact CG-CG 4.29Å; E16-K18 PolarHBondContact O-N 3.4Å
17Q54.4Low67.5Low175 Ų175137.6 Ų137.682%0.81872%0.723SS**  trans-70.876.6163-70179.9-13.900109.6G15 R19G15-Q17 PolarHBondContact O-N 3.41Å; Q17-R19 VanDerWaalsContact C-N 3.29Å; Q17-R19 PolarHBondContact O-N 2.79Å
18K58.7Low69.4Low167 Ų167131 Ų13173%0.72669%0.688SS**  trans-54.6100.3159.5-94.6165.4174165.70106.5E16 T20E16-K18 HydrophobicContact CG-CD 4.46Å; E16-K18 HydrophobicContact CG-CG 4.29Å; E16-K18 PolarHBondContact O-N 3.4Å; K18-T20 PolarHBondContact O-N 3.42Å
19R71.5Confident71.7Confident216 Ų216128.1 Ų128.182%0.81567%0.671SS**  trans-51.4116.6174.9-73.2-178.7170.3145.9-2.8107.5Q17 R21Q17-R19 VanDerWaalsContact C-N 3.29Å; Q17-R19 PolarHBondContact O-N 2.79Å; R19-R21 PolarHBondContact O-N 3.06Å
20T83.4Confident74.2Confident136 Ų136129.5 Ų129.583%0.83466%0.661SS**  trans-50.2130.4175.8-59.60000108.9K18 Q22K18-T20 PolarHBondContact O-N 3.42Å; T20-Q22 PolarHBondContact O-N 3.27Å
21R84.9Confident76.3Confident219 Ų219123.7 Ų123.783%0.82663%0.634SS**  trans-64.5112.1176.8173.3177.8-92.3-89.15.1108.3R19R19-R21 PolarHBondContact O-N 3.06Å
22Q88.6Confident78.8Confident132 Ų132114.2 Ų114.262%0.61759%0.593SS**PPolyproline II helixtrans-85.4134.4165.9-173.2177.7-4.300109.2T20T20-Q22 PolarHBondContact O-N 3.27Å
23T94.2Very high81.4Confident112 Ų112113.4 Ų113.469%0.68757%0.572SS**PPolyproline II helixtrans-90.4145.4169.751.70000109.8
24Y96.3Very high83.8Confident64 Ų64107.5 Ų107.525%0.25155%0.553SS.*PPolyproline II helixtrans-77.6144.4172.4-58.8-58.4000109.6L56 W64Y24-L56 HydrophobicContact CD1-CD1 4.02Å; Y24-L56 HydrophobicContact CD1-CD2 3.92Å; Y24-L56 HydrophobicContact CE1-CD1 3.88Å; Y24-L56 HydrophobicContact CE1-CD2 3.75Å; Y24-L56 HydrophobicContact CE1-CG 4.49Å; Y24-W64 AromaticContact CD2-CD1 3.78Å; Y24-W64 AromaticContact CE2-CD1 3.54Å; Y24-W64 HydrophobicContact CE2-CG 4.4Å
25S97.4Very high86.1Confident69 Ų69101.6 Ų101.648%0.48352%0.515SS..PPolyproline II helixtrans-61.4160171.2173.20000111N27 Q28 T29S25-N27 VanDerWaalsContact C-N 3.3Å; S25-N27 PolarHBondContact O-N 3.48Å; S25-Q28 PolarHBondContact O-N 3.18Å; S25-T29 PolarHBondContact O-N 3Å; S25-T29 PolarHBondContact O-OG1 3.28Å
26S97.3Very high88.5Confident100 Ų10098.3 Ų98.370%0.69948%0.48SS*.Hα-helixtrans-54.5-46.9174.1-173.70000111.3Q28 T29 L30S26-Q28 PolarHBondContact O-N 2.87Å; S26-T29 PolarHBondContact O-N 2.83Å; S26-L30 WeakPolarHBondContact O-CB 3.5Å; S26-L30 PolarHBondContact O-N 3.33Å
27N97.3Very high90.6Very high100 Ų10096.8 Ų96.854%0.53547%0.473SS..Hα-helixtrans-60.2-43.9177.3-17766.3000112.6S25 T29 L30 E31S25-N27 VanDerWaalsContact C-N 3.3Å; S25-N27 PolarHBondContact O-N 3.48Å; N27-T29 VanDerWaalsContact C-N 3.31Å; N27-T29 PolarHBondContact O-N 2.95Å; N27-L30 PolarHBondContact O-N 3.35Å; N27-E31 PolarHBondContact O-N 2.84Å; N27-E31 VanDerWaalsContact O-N 3.1Å
28Q98Very high92.6Very high30 Ų3096.8 Ų96.814%0.1447%0.47CS..Hα-helixtrans-62-42.1177.7-69.2177-39.600111.2S25 S26 L32 L54S25-Q28 PolarHBondContact O-N 3.18Å; S26-Q28 PolarHBondContact O-N 2.87Å; Q28-L32 WeakPolarHBondContact O-CB 3.35Å; Q28-L32 VanDerWaalsContact O-CD1 3.29Å; Q28-L32 WeakPolarHBondContact O-CD1 3.49Å; Q28-L32 WeakPolarHBondContact O-CG 3.39Å; Q28-L32 PolarHBondContact O-N 3.44Å; Q28-L32 VanDerWaalsContact O-N 3.11Å; Q28-L54 HydrophobicContact CG-CB 4.37Å; Q28-L54 PolarHBondContact NE2-O 3.09Å
29T97.9Very high94.4Very high59 Ų5992.3 Ų92.336%0.36245%0.454SS..Hα-helixtrans-67.1-41.8179.5-55.20000111.6S25 S26 N27 L32 E33S25-T29 PolarHBondContact O-N 3Å; S25-T29 PolarHBondContact O-OG1 3.28Å; S26-T29 PolarHBondContact O-N 2.83Å; N27-T29 VanDerWaalsContact C-N 3.31Å; N27-T29 PolarHBondContact O-N 2.95Å; T29-L32 PolarHBondContact O-N 2.95Å; T29-E33 WeakPolarHBondContact O-CB 3.29Å; T29-E33 PolarHBondContact O-N 3.16Å
30L98Very high95.6Very high98 Ų9887 Ų8751%0.51343%0.434SS..Hα-helixtrans-59.6-52178.3-171.8160.4000111.2S26 N27 L32 E33 K34S26-L30 WeakPolarHBondContact O-CB 3.5Å; S26-L30 PolarHBondContact O-N 3.33Å; N27-L30 PolarHBondContact O-N 3.35Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.4Å; L30-E33 PolarHBondContact O-N 2.91Å; L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 PolarHBondContact O-N 2.8Å
31E97.8Very high96.3Very high40 Ų4087.5 Ų87.519%0.18742%0.422CS..Hα-helixtrans-66.1-36.9-179.1-71.4-56.9107.800112.1N27 E33 K34 E35 L54N27-E31 PolarHBondContact O-N 2.84Å; N27-E31 VanDerWaalsContact O-N 3.1Å; E31-E33 PolarHBondContact O-N 3.48Å; E31-K34 PolarHBondContact O-N 3.1Å; E31-K34 IonicContact OE1-NZ 2.73Å; E31-K34 PolarHBondContact OE1-NZ 3.34Å; E31-K34 IonicContact OE2-NZ 2.72Å; E31-K34 PolarHBondContact OE2-NZ 3.32Å; E31-E35 WeakPolarHBondContact O-CB 3.44Å; E31-E35 VanDerWaalsContact O-CG 3.3Å; E31-E35 WeakPolarHBondContact O-CG 3.32Å; E31-E35 PolarHBondContact O-N 3.12Å; E31-L54 HydrophobicContact CB-CD1 4.13Å; E31-L54 HydrophobicContact CB-CD2 3.71Å; E31-L54 HydrophobicContact CB-CG 4.47Å; E31-L54 HydrophobicContact CG-CD2 4.01Å
32L98.3Very high96.8Very high0 Ų078.6 Ų78.60%039%0.39CS..Hα-helixtrans-62.9-41173.9-72.6165.4000112.4Q28 T29 L30 E35 F36 I50 L54 L56 V61 W64 F65Q28-L32 WeakPolarHBondContact O-CB 3.35Å; Q28-L32 VanDerWaalsContact O-CD1 3.29Å; Q28-L32 WeakPolarHBondContact O-CD1 3.49Å; Q28-L32 WeakPolarHBondContact O-CG 3.39Å; Q28-L32 PolarHBondContact O-N 3.44Å; Q28-L32 VanDerWaalsContact O-N 3.11Å; T29-L32 PolarHBondContact O-N 2.95Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.4Å; L32-E35 PolarHBondContact O-N 3.39Å; L32-F36 WeakPolarHBondContact O-CB 3.46Å; L32-F36 PolarHBondContact O-N 3.09Å; L32-I50 HydrophobicContact CD2-CG2 3.97Å; L32-L54 HydrophobicContact CD1-CD1 4.33Å; L32-L54 HydrophobicContact CD2-CD1 3.96Å; L32-L54 HydrophobicContact CG-CD1 3.67Å; L32-L56 HydrophobicContact CD1-CD1 4.22Å; L32-V61 HydrophobicContact CD2-CG1 4.25Å; L32-W64 HydrophobicContact CB-CD2 3.79Å; L32-W64 HydrophobicContact CB-CE3 3.86Å; L32-W64 HydrophobicContact CB-CH2 3.67Å; L32-W64 HydrophobicContact CB-CZ2 3.55Å; L32-W64 HydrophobicContact CB-CZ3 3.81Å; L32-W64 HydrophobicContact CD1-CB 4.45Å; L32-W64 HydrophobicContact CD1-CD2 3.86Å; L32-W64 HydrophobicContact CD1-CG 3.75Å; L32-W64 HydrophobicContact CD2-CD2 4.16Å; L32-W64 HydrophobicContact CD2-CE3 4.07Å; L32-W64 HydrophobicContact CD2-CG 4.42Å; L32-W64 HydrophobicContact CG-CD2 4.15Å; L32-W64 HydrophobicContact CG-CE3 4.38Å; L32-W64 HydrophobicContact CG-CG 4.48Å; L32-W64 VanDerWaalsContact O-CH2 3.29Å; L32-W64 WeakPolarHBondContact O-CH2 3.26Å; L32-W64 WeakPolarHBondContact O-CZ3 3.14Å; L32-F65 HydrophobicContact CD2-CE2 4.21Å
33E98.2Very high97.3Very high47 Ų4776.2 Ų76.222%0.2239%0.385CS..Hα-helixtrans-69.3-43.5178.4-16563.6-146.900111.5T29 L30 E31 E35 F36 H37 R68T29-E33 WeakPolarHBondContact O-CB 3.29Å; T29-E33 PolarHBondContact O-N 3.16Å; L30-E33 PolarHBondContact O-N 2.91Å; E31-E33 PolarHBondContact O-N 3.48Å; E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 3.32Å; E33-F36 WeakPolarHBondContact O-CB 3.42Å; E33-F36 PolarHBondContact O-N 2.91Å; E33-F36 VanDerWaalsContact O-N 3.1Å; E33-H37 PolarHBondContact O-CD2 3.2Å; E33-H37 PolarHBondContact O-N 3.42Å; E33-H37 IonicContact OE1-NE2 2.88Å; E33-H37 PolarHBondContact OE1-NE2 2.95Å; E33-R68 VanDerWaalsContact CD-NE 3.3Å; E33-R68 IonicContact OE1-CZ 3.88Å; E33-R68 IonicContact OE1-NE 3.87Å; E33-R68 PolarHBondContact OE1-NE 3.04Å; E33-R68 IonicContact OE1-NH2 3.04Å; E33-R68 PolarHBondContact OE1-NH2 3.39Å; E33-R68 WeakPolarHBondContact OE2-CD 3.41Å; E33-R68 IonicContact OE2-CZ 3.91Å; E33-R68 IonicContact OE2-NE 2.93Å; E33-R68 PolarHBondContact OE2-NE 3.31Å
34K97.8Very high97.4Very high113 Ų11379.4 Ų79.449%0.49138%0.384SS..Hα-helixtrans-54-46.6172.9174-178.4163.1-159.20111.6L30 E31 H37 F38L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 PolarHBondContact O-N 2.8Å; E31-K34 PolarHBondContact O-N 3.1Å; E31-K34 IonicContact OE1-NZ 2.73Å; E31-K34 PolarHBondContact OE1-NZ 3.34Å; E31-K34 IonicContact OE2-NZ 2.72Å; E31-K34 PolarHBondContact OE2-NZ 3.32Å; K34-H37 PolarHBondContact O-N 3.05Å; K34-F38 PolarHBondContact O-N 3.36Å; K34-F38 VanDerWaalsContact O-N 3.13Å
35E97.4Very high97.5Very high21 Ų2184.9 Ų84.910%0.09841%0.405CS..Hα-helixtrans-65.7-38.1176.3-73-63137.900113E31 L32 E33 H37 F38 N39 R46 I50 F65E31-E35 WeakPolarHBondContact O-CB 3.44Å; E31-E35 VanDerWaalsContact O-CG 3.3Å; E31-E35 WeakPolarHBondContact O-CG 3.32Å; E31-E35 PolarHBondContact O-N 3.12Å; L32-E35 PolarHBondContact O-N 3.39Å; E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 3.32Å; E35-H37 VanDerWaalsContact C-N 3.33Å; E35-H37 PolarHBondContact O-N 3.05Å; E35-F38 PolarHBondContact O-N 3.03Å; E35-N39 PolarHBondContact O-N 2.97Å; E35-R46 VanDerWaalsContact CD-NE 3.3Å; E35-R46 IonicContact OE1-CZ 3.71Å; E35-R46 IonicContact OE1-NE 3.5Å; E35-R46 IonicContact OE1-NH2 2.88Å; E35-R46 PolarHBondContact OE1-NH2 3.43Å; E35-R46 IonicContact OE2-CZ 3.66Å; E35-R46 IonicContact OE2-NE 3.97Å; E35-R46 PolarHBondContact OE2-NE 3.36Å; E35-R46 IonicContact OE2-NH2 3.22Å; E35-R46 PolarHBondContact OE2-NH2 2.92Å; E35-I50 HydrophobicContact CB-CD1 3.87Å; E35-I50 HydrophobicContact CG-CD1 3.58Å; E35-I50 HydrophobicContact CG-CG1 4.03Å; E35-F65 HydrophobicContact CB-CZ 4.01Å
36F98Very high97.5Very high3 Ų384.1 Ų84.11%0.01339%0.391CS..Hα-helixtrans-64.3-37.5175.7-177.2-103000112.9L32 E33 N39 R40 W64 F65 R68 R69 W72L32-F36 WeakPolarHBondContact O-CB 3.46Å; L32-F36 PolarHBondContact O-N 3.09Å; E33-F36 WeakPolarHBondContact O-CB 3.42Å; E33-F36 PolarHBondContact O-N 2.91Å; E33-F36 VanDerWaalsContact O-N 3.1Å; F36-N39 CarbonylContact O-C 3.27Å; F36-N39 VanDerWaalsContact O-C 3.27Å; F36-R40 HydrophobicContact CE1-CG 4.38Å; F36-R40 HydrophobicContact CE2-CB 4.03Å; F36-R40 HydrophobicContact CE2-CG 4.08Å; F36-R40 HydrophobicContact CZ-CB 4.35Å; F36-R40 HydrophobicContact CZ-CG 3.93Å; F36-R40 PolarHBondContact O-N 2.93Å; F36-W64 HydrophobicContact CB-CH2 4.09Å; F36-W64 HydrophobicContact CB-CZ3 3.99Å; F36-F65 HydrophobicContact CB-CE1 4.24Å; F36-F65 HydrophobicContact CB-CZ 4.43Å; F36-F65 HydrophobicContact CD2-CD1 4.05Å; F36-F65 AromaticContact CD2-CE1 4Å; F36-F65 HydrophobicContact CD2-CE1 4Å; F36-R68 HydrophobicContact CB-CG 4.28Å; F36-R68 HydrophobicContact CD1-CG 3.62Å; F36-R68 HydrophobicContact CD2-CB 4.26Å; F36-R68 HydrophobicContact CD2-CG 3.57Å; F36-R68 HydrophobicContact CE1-CG 3.74Å; F36-R68 HydrophobicContact CE2-CB 4.32Å; F36-R68 HydrophobicContact CE2-CG 3.7Å; F36-R68 HydrophobicContact CG-CG 3.53Å; F36-R68 HydrophobicContact CZ-CG 3.79Å; F36-R69 HydrophobicContact CE2-CG 3.77Å; F36-R69 HydrophobicContact CZ-CG 4.34Å; F36-W72 HydrophobicContact CE1-CB 4.2Å; F36-W72 HydrophobicContact CE1-CG 4.3Å; F36-W72 HydrophobicContact CZ-CB 3.9Å; F36-W72 HydrophobicContact CZ-CG 4.09Å
37H96.6Very high97.5Very high132 Ų13282.5 Ų82.561%0.61137%0.37SS*.Hα-helixtrans-64.9-40.3174.2-77.7-67.5000111.9E33 K34 E35E33-H37 PolarHBondContact O-CD2 3.2Å; E33-H37 PolarHBondContact O-N 3.42Å; E33-H37 IonicContact OE1-NE2 2.88Å; E33-H37 PolarHBondContact OE1-NE2 2.95Å; K34-H37 PolarHBondContact O-N 3.05Å; E35-H37 VanDerWaalsContact C-N 3.33Å; E35-H37 PolarHBondContact O-N 3.05Å
38F96.8Very high97.6Very high175 Ų17581.3 Ų81.377%0.76836%0.361SS*.Hα-helixtrans-66.3-47.9175.2-177.3-100.8000111.8K34 E35K34-F38 PolarHBondContact O-N 3.36Å; K34-F38 VanDerWaalsContact O-N 3.13Å; E35-F38 PolarHBondContact O-N 3.03Å
39N96.3Very high97.6Very high72 Ų7282.8 Ų82.839%0.38537%0.368SS..  trans-147.5121.1176.5-167.6-14.8000112.1E35 F36 Y41 F65E35-N39 PolarHBondContact O-N 2.97Å; F36-N39 CarbonylContact O-C 3.27Å; F36-N39 VanDerWaalsContact O-C 3.27Å; N39-Y41 PolarHBondContact ND2-O 3.44Å; N39-Y41 VanDerWaalsContact ND2-O 3.13Å; N39-Y41 PolarHBondContact O-N 2.85Å; N39-Y41 VanDerWaalsContact O-N 3.07Å; N39-Y41 PolarHBondContact OD1-N 3.25Å; N39-Y41 PolarHBondContact OD1-O 3.26Å; N39-F65 WeakPolarHBondContact O-CE1 3.35Å
40R96.6Very high97.6Very high105 Ų10580.1 Ų80.140%0.39635%0.352SS..SBendtrans-65.2-13.5178.9-68.1173.5163.984.6-1.3113.6F36 R69 W72F36-R40 HydrophobicContact CE1-CG 4.38Å; F36-R40 HydrophobicContact CE2-CB 4.03Å; F36-R40 HydrophobicContact CE2-CG 4.08Å; F36-R40 HydrophobicContact CZ-CB 4.35Å; F36-R40 HydrophobicContact CZ-CG 3.93Å; F36-R40 PolarHBondContact O-N 2.93Å; R40-R69 WeakPolarHBondContact O-CD 3.29Å; R40-R69 PolarHBondContact O-NH1 3.47Å; R40-R69 VanDerWaalsContact O-NH1 3.08Å; R40-W72 VanDerWaalsContact NE-CE2 3.28Å; R40-W72 VanDerWaalsContact NE-CZ2 3.31Å
41Y97.9Very high97.6Very high146 Ų14675.9 Ų75.957%0.57333%0.33SS*.SBendtrans-130.7133.4180-62-88.3000111.2N39 R69N39-Y41 PolarHBondContact ND2-O 3.44Å; N39-Y41 VanDerWaalsContact ND2-O 3.13Å; N39-Y41 PolarHBondContact O-N 2.85Å; N39-Y41 VanDerWaalsContact O-N 3.07Å; N39-Y41 PolarHBondContact OD1-N 3.25Å; N39-Y41 PolarHBondContact OD1-O 3.26Å; Y41-R69 VanDerWaalsContact CE1-CD 3.48Å
42L96.8Very high97.6Very high32 Ų3278.4 Ų78.417%0.16835%0.352CS..  trans-90.1134.6178-72.2179.1000112.5R46 R47 I50 V61 F65L42-R46 HydrophobicContact CD2-CB 4.23Å; L42-R46 HydrophobicContact CD2-CG 3.87Å; L42-R47 HydrophobicContact CD1-CB 4.35Å; L42-R47 HydrophobicContact CD1-CG 4.46Å; L42-I50 HydrophobicContact CD1-CD1 4.41Å; L42-I50 HydrophobicContact CD2-CD1 3.65Å; L42-V61 HydrophobicContact CD1-CG1 3.47Å; L42-V61 VanDerWaalsContact CD1-CG1 3.47Å; L42-F65 HydrophobicContact CD1-CD1 4.16Å; L42-F65 HydrophobicContact CD1-CD2 3.29Å; L42-F65 HydrophobicContact CD1-CE1 4.2Å; L42-F65 HydrophobicContact CD1-CE2 3.37Å; L42-F65 HydrophobicContact CD1-CG 3.72Å; L42-F65 HydrophobicContact CD1-CZ 3.83Å; L42-F65 HydrophobicContact CD2-CD1 4.49Å; L42-F65 HydrophobicContact CD2-CE1 3.84Å; L42-F65 HydrophobicContact CD2-CE2 3.91Å; L42-F65 HydrophobicContact CD2-CZ 3.51Å; L42-F65 HydrophobicContact CG-CD1 3.74Å; L42-F65 HydrophobicContact CG-CD2 3.8Å; L42-F65 HydrophobicContact CG-CE1 3.58Å; L42-F65 HydrophobicContact CG-CE2 3.67Å; L42-F65 HydrophobicContact CG-CG 3.84Å; L42-F65 HydrophobicContact CG-CZ 3.55Å
43T97.5Very high97.5Very high83 Ų8383.5 Ų83.551%0.50938%0.376SS..  trans-74.8165.3162.166.90000110.6R46 R47T43-R46 PolarHBondContact OG1-N 3.37Å; T43-R47 WeakPolarHBondContact O-CB 3.49Å; T43-R47 PolarHBondContact O-N 3.19Å; T43-R47 VanDerWaalsContact O-N 3.12Å
44R97.6Very high97.5Very high178 Ų17881.8 Ų81.867%0.67237%0.368SS*.Hα-helixtrans-57.6-49.7175.9179-178169.9119.32.3111.3R47 Q48R44-R47 WeakPolarHBondContact O-CB 3.37Å; R44-R47 PolarHBondContact O-N 2.88Å; R44-Q48 PolarHBondContact O-N 3.22Å
45R97.5Very high97.4Very high180 Ų18081.9 Ų81.968%0.67938%0.382SS*.Hα-helixtrans-58.5-51.6-179178.3178171.1171.72.5111.7R47 Q48 E49R45-R47 VanDerWaalsContact C-N 3.26Å; R45-R47 PolarHBondContact O-N 2.93Å; R45-Q48 WeakPolarHBondContact O-CB 3.34Å; R45-Q48 PolarHBondContact O-N 2.88Å; R45-E49 WeakPolarHBondContact CG-OE1 3.15Å; R45-E49 IonicContact CZ-OE1 2.7Å; R45-E49 IonicContact NE-OE1 3.52Å; R45-E49 PolarHBondContact NE-OE1 3.43Å; R45-E49 IonicContact NH2-OE1 3.43Å; R45-E49 PolarHBondContact O-N 3.01Å; R45-E49 VanDerWaalsContact O-N 3.13Å
46R97.5Very high97.4Very high53 Ų5381.5 Ų81.520%0.238%0.381CS..Hα-helixtrans-63.6-33.5-178.2-168.865.8-169.1135.84.2112.4E35 L42 T43 Q48 E49 I50 E53E35-R46 VanDerWaalsContact CD-NE 3.3Å; E35-R46 IonicContact OE1-CZ 3.71Å; E35-R46 IonicContact OE1-NE 3.5Å; E35-R46 IonicContact OE1-NH2 2.88Å; E35-R46 PolarHBondContact OE1-NH2 3.43Å; E35-R46 IonicContact OE2-CZ 3.66Å; E35-R46 IonicContact OE2-NE 3.97Å; E35-R46 PolarHBondContact OE2-NE 3.36Å; E35-R46 IonicContact OE2-NH2 3.22Å; E35-R46 PolarHBondContact OE2-NH2 2.92Å; L42-R46 HydrophobicContact CD2-CB 4.23Å; L42-R46 HydrophobicContact CD2-CG 3.87Å; T43-R46 PolarHBondContact OG1-N 3.37Å; R46-Q48 VanDerWaalsContact C-N 3.32Å; R46-Q48 PolarHBondContact O-N 3.1Å; R46-E49 WeakPolarHBondContact CD-OE2 3.39Å; R46-E49 IonicContact CZ-OE2 3.95Å; R46-E49 IonicContact NH1-OE2 2.78Å; R46-E49 PolarHBondContact NH1-OE2 3.3Å; R46-E49 PolarHBondContact O-N 3.37Å; R46-I50 HydrophobicContact CG-CD1 3.81Å; R46-I50 HydrophobicContact CG-CG1 4.26Å; R46-I50 WeakPolarHBondContact O-CG1 3.35Å; R46-I50 PolarHBondContact O-N 3.04Å; R46-E53 IonicContact NH1-OE1 2.75Å; R46-E53 PolarHBondContact NH1-OE1 3.43Å; R46-E53 IonicContact NH2-OE1 2.98Å; R46-E53 IonicContact NH2-OE2 3.18Å
47R98.1Very high97.3Very high66 Ų6685.1 Ų85.125%0.24940%0.403CS..Hα-helixtrans-59.4-42.5173.2-171.1-166.8-571503.6112.1L42 T43 R44 R45 A51 E58 V61L42-R47 HydrophobicContact CD1-CB 4.35Å; L42-R47 HydrophobicContact CD1-CG 4.46Å; T43-R47 WeakPolarHBondContact O-CB 3.49Å; T43-R47 PolarHBondContact O-N 3.19Å; T43-R47 VanDerWaalsContact O-N 3.12Å; R44-R47 WeakPolarHBondContact O-CB 3.37Å; R44-R47 PolarHBondContact O-N 2.88Å; R45-R47 VanDerWaalsContact C-N 3.26Å; R45-R47 PolarHBondContact O-N 2.93Å; R47-A51 WeakPolarHBondContact O-CB 3.49Å; R47-A51 PolarHBondContact O-N 3.28Å; R47-E58 HydrophobicContact CG-CB 4.13Å; R47-E58 HydrophobicContact CG-CG 4.23Å; R47-V61 HydrophobicContact CG-CB 4.44Å; R47-V61 HydrophobicContact CG-CG1 4.35Å
48Q98.2Very high97.4Very high75 Ų7582.4 Ų82.435%0.3539%0.391SS..Hα-helixtrans-68.4-40.4180-65.9176.6-56.100111.6R44 R45 R46 S52 E58R44-Q48 PolarHBondContact O-N 3.22Å; R45-Q48 WeakPolarHBondContact O-CB 3.34Å; R45-Q48 PolarHBondContact O-N 2.88Å; R46-Q48 VanDerWaalsContact C-N 3.32Å; R46-Q48 PolarHBondContact O-N 3.1Å; Q48-S52 PolarHBondContact O-N 3.11Å; Q48-S52 VanDerWaalsContact O-N 3.12Å; Q48-S52 PolarHBondContact O-OG 3.26Å; Q48-E58 HydrophobicContact CG-CG 4.46Å
49E98.1Very high97.4Very high61 Ų6181.5 Ų81.529%0.28538%0.382SS..Hα-helixtrans-61.7-55.4176.7-67170.1-177.500111.1R45 R46 A51 S52 E53R45-E49 WeakPolarHBondContact CG-OE1 3.15Å; R45-E49 IonicContact CZ-OE1 2.7Å; R45-E49 IonicContact NE-OE1 3.52Å; R45-E49 PolarHBondContact NE-OE1 3.43Å; R45-E49 IonicContact NH2-OE1 3.43Å; R45-E49 PolarHBondContact O-N 3.01Å; R45-E49 VanDerWaalsContact O-N 3.13Å; R46-E49 WeakPolarHBondContact CD-OE2 3.39Å; R46-E49 IonicContact CZ-OE2 3.95Å; R46-E49 IonicContact NH1-OE2 2.78Å; R46-E49 PolarHBondContact NH1-OE2 3.3Å; R46-E49 PolarHBondContact O-N 3.37Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 3.13Å; E49-S52 WeakPolarHBondContact O-CB 3.46Å; E49-S52 PolarHBondContact O-N 3.44Å; E49-S52 VanDerWaalsContact O-N 3.1Å; E49-E53 WeakPolarHBondContact O-CG 3.38Å; E49-E53 PolarHBondContact O-N 3.31Å
50I97.6Very high97.5Very high3 Ų380.2 Ų80.22%0.01537%0.374CS..Hα-helixtrans-60.1-41.5179.3-64.3168000111.8L32 E35 L42 R46 S52 E53 L54 V61L32-I50 HydrophobicContact CD2-CG2 3.97Å; E35-I50 HydrophobicContact CB-CD1 3.87Å; E35-I50 HydrophobicContact CG-CD1 3.58Å; E35-I50 HydrophobicContact CG-CG1 4.03Å; L42-I50 HydrophobicContact CD1-CD1 4.41Å; L42-I50 HydrophobicContact CD2-CD1 3.65Å; R46-I50 HydrophobicContact CG-CD1 3.81Å; R46-I50 HydrophobicContact CG-CG1 4.26Å; R46-I50 WeakPolarHBondContact O-CG1 3.35Å; R46-I50 PolarHBondContact O-N 3.04Å; I50-S52 VanDerWaalsContact C-N 3.27Å; I50-S52 PolarHBondContact O-N 3.43Å; I50-E53 PolarHBondContact O-N 3.12Å; I50-L54 HydrophobicContact CG2-CD1 3.66Å; I50-L54 HydrophobicContact CG2-CG 4.13Å; I50-L54 WeakPolarHBondContact O-CB 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.45Å; I50-L54 PolarHBondContact O-N 3Å; I50-V61 HydrophobicContact CB-CG1 4.44Å; I50-V61 HydrophobicContact CG2-CG1 4.04Å; I50-V61 HydrophobicContact CG2-CG2 4.16Å
51A98.1Very high97.5Very high8 Ų875.2 Ų75.27%0.06636%0.355CS..Hα-helixtrans-58-43.4177.800000111.4R47 E49 C55 L56 E58 V61R47-A51 WeakPolarHBondContact O-CB 3.49Å; R47-A51 PolarHBondContact O-N 3.28Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 3.13Å; A51-C55 PolarHBondContact O-N 3.49Å; A51-L56 CarbonylContact C-O 3.43Å; A51-L56 WeakPolarHBondContact CA-O 3.41Å; A51-L56 VanDerWaalsContact CB-O 3.26Å; A51-L56 WeakPolarHBondContact CB-O 3.47Å; A51-L56 PolarHBondContact O-N 3.18Å; A51-E58 HydrophobicContact CB-CG 4.13Å; A51-V61 HydrophobicContact CB-CG2 4.16Å
52S97.8Very high97.5Very high93 Ų9374.1 Ų74.165%0.6535%0.353SS*.Hα-helixtrans-69.9-45.6178.9-530000111.7Q48 E49 I50 L54 C55Q48-S52 PolarHBondContact O-N 3.11Å; Q48-S52 VanDerWaalsContact O-N 3.12Å; Q48-S52 PolarHBondContact O-OG 3.26Å; E49-S52 WeakPolarHBondContact O-CB 3.46Å; E49-S52 PolarHBondContact O-N 3.44Å; E49-S52 VanDerWaalsContact O-N 3.1Å; I50-S52 VanDerWaalsContact C-N 3.27Å; I50-S52 PolarHBondContact O-N 3.43Å; S52-L54 PolarHBondContact O-N 3.27Å; S52-C55 PolarHBondContact O-N 2.97Å
53E97.4Very high97.5Very high108 Ų10875 Ų7551%0.50536%0.358SS..Hα-helixtrans-61.2-40.5179.4-71.1168-149.100112.2R46 E49 I50R46-E53 IonicContact NH1-OE1 2.75Å; R46-E53 PolarHBondContact NH1-OE1 3.43Å; R46-E53 IonicContact NH2-OE1 2.98Å; R46-E53 IonicContact NH2-OE2 3.18Å; E49-E53 WeakPolarHBondContact O-CG 3.38Å; E49-E53 PolarHBondContact O-N 3.31Å; I50-E53 PolarHBondContact O-N 3.12Å
54L97.1Very high97.6Very high10 Ų1072.4 Ų72.45%0.05234%0.339CS..THydrogen-bonded Turntrans-96.32.2-174.3-58-173.9000114.5Q28 E31 L32 I50 S52 L56Q28-L54 HydrophobicContact CG-CB 4.37Å; Q28-L54 PolarHBondContact NE2-O 3.09Å; E31-L54 HydrophobicContact CB-CD1 4.13Å; E31-L54 HydrophobicContact CB-CD2 3.71Å; E31-L54 HydrophobicContact CB-CG 4.47Å; E31-L54 HydrophobicContact CG-CD2 4.01Å; L32-L54 HydrophobicContact CD1-CD1 4.33Å; L32-L54 HydrophobicContact CD2-CD1 3.96Å; L32-L54 HydrophobicContact CG-CD1 3.67Å; I50-L54 HydrophobicContact CG2-CD1 3.66Å; I50-L54 HydrophobicContact CG2-CG 4.13Å; I50-L54 WeakPolarHBondContact O-CB 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.45Å; I50-L54 PolarHBondContact O-N 3Å; S52-L54 PolarHBondContact O-N 3.27Å; L54-L56 HydrophobicContact CB-CD1 4.1Å; L54-L56 HydrophobicContact CB-CG 4.05Å; L54-L56 HydrophobicContact CD1-CD1 4.43Å; L54-L56 PolarHBondContact O-N 2.92Å
55C97.1Very high97.6Very high116 Ų11664.1 Ų64.178%0.78431%0.307SS*.THydrogen-bonded Turntrans52.643.2-172.8-60.40000112.3A51 S52A51-C55 PolarHBondContact O-N 3.49Å; S52-C55 PolarHBondContact O-N 2.97Å
56L96.4Very high97.6Very high13 Ų1360.6 Ų60.67%0.06830%0.299CS..  trans-115.9155.6177.2-66-179.8000110Y24 L32 A51 L54 Q60 V61Y24-L56 HydrophobicContact CD1-CD1 4.02Å; Y24-L56 HydrophobicContact CD1-CD2 3.92Å; Y24-L56 HydrophobicContact CE1-CD1 3.88Å; Y24-L56 HydrophobicContact CE1-CD2 3.75Å; Y24-L56 HydrophobicContact CE1-CG 4.49Å; L32-L56 HydrophobicContact CD1-CD1 4.22Å; A51-L56 CarbonylContact C-O 3.43Å; A51-L56 WeakPolarHBondContact CA-O 3.41Å; A51-L56 VanDerWaalsContact CB-O 3.26Å; A51-L56 WeakPolarHBondContact CB-O 3.47Å; A51-L56 PolarHBondContact O-N 3.18Å; L54-L56 HydrophobicContact CB-CD1 4.1Å; L54-L56 HydrophobicContact CB-CG 4.05Å; L54-L56 HydrophobicContact CD1-CD1 4.43Å; L54-L56 PolarHBondContact O-N 2.92Å; L56-Q60 HydrophobicContact CB-CB 4.35Å; L56-V61 HydrophobicContact CB-CG2 4.04Å; L56-V61 HydrophobicContact CD1-CG2 4.43Å
57T97.3Very high97.7Very high78 Ų7862.7 Ų62.748%0.47931%0.314SS..  trans-73.2148.6170.362.40000110.9R59 Q60 V61T57-R59 PolarHBondContact O-N 3.31Å; T57-Q60 WeakPolarHBondContact O-CB 3.45Å; T57-Q60 PolarHBondContact O-N 3.22Å; T57-Q60 WeakPolarHBondContact OG1-CB 3.4Å; T57-Q60 VanDerWaalsContact OG1-CG 3.29Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.3Å; T57-Q60 PolarHBondContact OG1-N 3.48Å; T57-Q60 VanDerWaalsContact OG1-N 3.16Å; T57-Q60 PolarHBondContact OG1-OE1 2.8Å; T57-V61 PolarHBondContact O-N 3.1Å; T57-V61 VanDerWaalsContact O-N 3.09Å
58E98Very high97.7Very high76 Ų7660.9 Ų60.936%0.35531%0.307SS..Hα-helixtrans-51.2-34171.9-72.9-171.572.800112.3R47 Q48 A51 K62R47-E58 HydrophobicContact CG-CB 4.13Å; R47-E58 HydrophobicContact CG-CG 4.23Å; Q48-E58 HydrophobicContact CG-CG 4.46Å; A51-E58 HydrophobicContact CB-CG 4.13Å; E58-K62 VanDerWaalsContact O-CB 3.29Å; E58-K62 WeakPolarHBondContact O-CB 3.47Å; E58-K62 PolarHBondContact O-N 2.7Å
59R97.1Very high97.6Very high155 Ų15560.3 Ų60.359%0.58530%0.302SS*.Hα-helixtrans-64.9-45.1175.4-175.4-179.6-175.9-78.9-4.2112.1T57 K62 I63T57-R59 PolarHBondContact O-N 3.31Å; R59-K62 PolarHBondContact O-N 3.43Å; R59-I63 HydrophobicContact CG-CD1 3.97Å; R59-I63 WeakPolarHBondContact O-CG1 3.44Å; R59-I63 PolarHBondContact O-N 2.75Å
60Q97.4Very high97.6Very high45 Ų4562.5 Ų62.521%0.2131%0.313CS..Hα-helixtrans-62-46.7177.2-79.9163.7-53.400111L56 T57 K62 I63 W64L56-Q60 HydrophobicContact CB-CB 4.35Å; T57-Q60 WeakPolarHBondContact O-CB 3.45Å; T57-Q60 PolarHBondContact O-N 3.22Å; T57-Q60 WeakPolarHBondContact OG1-CB 3.4Å; T57-Q60 VanDerWaalsContact OG1-CG 3.29Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.3Å; T57-Q60 PolarHBondContact OG1-N 3.48Å; T57-Q60 VanDerWaalsContact OG1-N 3.16Å; T57-Q60 PolarHBondContact OG1-OE1 2.8Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 2.87Å; Q60-I63 PolarHBondContact O-N 3.28Å; Q60-W64 WeakPolarHBondContact O-CB 3.29Å; Q60-W64 PolarHBondContact O-N 3.48Å
61V97.7Very high97.5Very high0 Ų068.2 Ų68.20%034%0.338CS..Hα-helixtrans-59.6-45.3175.9-179.30000110.7L32 L42 R47 I50 A51 L56 T57 I63 W64 F65L32-V61 HydrophobicContact CD2-CG1 4.25Å; L42-V61 HydrophobicContact CD1-CG1 3.47Å; L42-V61 VanDerWaalsContact CD1-CG1 3.47Å; R47-V61 HydrophobicContact CG-CB 4.44Å; R47-V61 HydrophobicContact CG-CG1 4.35Å; I50-V61 HydrophobicContact CB-CG1 4.44Å; I50-V61 HydrophobicContact CG2-CG1 4.04Å; I50-V61 HydrophobicContact CG2-CG2 4.16Å; A51-V61 HydrophobicContact CB-CG2 4.16Å; L56-V61 HydrophobicContact CB-CG2 4.04Å; L56-V61 HydrophobicContact CD1-CG2 4.43Å; T57-V61 PolarHBondContact O-N 3.1Å; T57-V61 VanDerWaalsContact O-N 3.09Å; V61-I63 PolarHBondContact O-N 2.99Å; V61-W64 PolarHBondContact O-N 3.38Å; V61-F65 HydrophobicContact CG1-CD2 4.08Å; V61-F65 HydrophobicContact CG1-CE2 4.24Å; V61-F65 WeakPolarHBondContact O-CD2 3.48Å; V61-F65 PolarHBondContact O-N 3.5Å
62K97.7Very high97.4Very high123 Ų12371.6 Ų71.654%0.53535%0.349SS..Hα-helixtrans-58.1-46.6176.2-178.8-175.6175.8-175.40112.3E58 R59 Q60 F65 Q66E58-K62 VanDerWaalsContact O-CB 3.29Å; E58-K62 WeakPolarHBondContact O-CB 3.47Å; E58-K62 PolarHBondContact O-N 2.7Å; R59-K62 PolarHBondContact O-N 3.43Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 2.87Å; K62-F65 PolarHBondContact O-N 3Å; K62-Q66 PolarHBondContact O-N 3.48Å; K62-Q66 VanDerWaalsContact O-N 3.09Å
63I97.4Very high97.2Very high51 Ų5171.5 Ų71.526%0.26234%0.337SS..Hα-helixtrans-66.4-41.1179-71.1169.2000110.7R59 Q60 V61 F65 Q66 N67R59-I63 HydrophobicContact CG-CD1 3.97Å; R59-I63 WeakPolarHBondContact O-CG1 3.44Å; R59-I63 PolarHBondContact O-N 2.75Å; Q60-I63 PolarHBondContact O-N 3.28Å; V61-I63 PolarHBondContact O-N 2.99Å; I63-F65 PolarHBondContact O-N 2.93Å; I63-Q66 WeakPolarHBondContact O-CB 3.33Å; I63-Q66 PolarHBondContact O-N 3.08Å; I63-N67 PolarHBondContact O-N 2.98Å
64W98.1Very high97Very high29 Ų2973.8 Ų73.811%0.1135%0.345CS..Hα-helixtrans-59.3-48.5177.1-173.499.4000110.9Y24 L32 F36 Q60 V61 Q66 N67 R68Y24-W64 AromaticContact CD2-CD1 3.78Å; Y24-W64 AromaticContact CE2-CD1 3.54Å; Y24-W64 HydrophobicContact CE2-CG 4.4Å; L32-W64 HydrophobicContact CB-CD2 3.79Å; L32-W64 HydrophobicContact CB-CE3 3.86Å; L32-W64 HydrophobicContact CB-CH2 3.67Å; L32-W64 HydrophobicContact CB-CZ2 3.55Å; L32-W64 HydrophobicContact CB-CZ3 3.81Å; L32-W64 HydrophobicContact CD1-CB 4.45Å; L32-W64 HydrophobicContact CD1-CD2 3.86Å; L32-W64 HydrophobicContact CD1-CG 3.75Å; L32-W64 HydrophobicContact CD2-CD2 4.16Å; L32-W64 HydrophobicContact CD2-CE3 4.07Å; L32-W64 HydrophobicContact CD2-CG 4.42Å; L32-W64 HydrophobicContact CG-CD2 4.15Å; L32-W64 HydrophobicContact CG-CE3 4.38Å; L32-W64 HydrophobicContact CG-CG 4.48Å; L32-W64 VanDerWaalsContact O-CH2 3.29Å; L32-W64 WeakPolarHBondContact O-CH2 3.26Å; L32-W64 WeakPolarHBondContact O-CZ3 3.14Å; F36-W64 HydrophobicContact CB-CH2 4.09Å; F36-W64 HydrophobicContact CB-CZ3 3.99Å; Q60-W64 WeakPolarHBondContact O-CB 3.29Å; Q60-W64 PolarHBondContact O-N 3.48Å; V61-W64 PolarHBondContact O-N 3.38Å; W64-Q66 VanDerWaalsContact C-N 3.28Å; W64-Q66 PolarHBondContact O-N 3.48Å; W64-N67 PolarHBondContact O-N 2.78Å; W64-R68 HydrophobicContact CD2-CB 4.45Å; W64-R68 HydrophobicContact CE3-CB 4.02Å; W64-R68 HydrophobicContact CH2-CB 3.86Å; W64-R68 HydrophobicContact CH2-CG 3.63Å; W64-R68 HydrophobicContact CZ2-CB 4.34Å; W64-R68 HydrophobicContact CZ2-CG 4.32Å; W64-R68 HydrophobicContact CZ3-CB 3.7Å; W64-R68 HydrophobicContact CZ3-CG 3.81Å; W64-R68 WeakPolarHBondContact O-CB 3.48Å; W64-R68 PolarHBondContact O-N 2.91Å
65F98.4Very high96.7Very high3 Ų376.9 Ų76.91%0.01336%0.359CS..Hα-helixtrans-61.9-35.4177.4-94.9-97.8000112.9L32 E35 F36 N39 L42 V61 K62 I63 R69L32-F65 HydrophobicContact CD2-CE2 4.21Å; E35-F65 HydrophobicContact CB-CZ 4.01Å; F36-F65 HydrophobicContact CB-CE1 4.24Å; F36-F65 HydrophobicContact CB-CZ 4.43Å; F36-F65 HydrophobicContact CD2-CD1 4.05Å; F36-F65 AromaticContact CD2-CE1 4Å; F36-F65 HydrophobicContact CD2-CE1 4Å; N39-F65 WeakPolarHBondContact O-CE1 3.35Å; L42-F65 HydrophobicContact CD1-CD1 4.16Å; L42-F65 HydrophobicContact CD1-CD2 3.29Å; L42-F65 HydrophobicContact CD1-CE1 4.2Å; L42-F65 HydrophobicContact CD1-CE2 3.37Å; L42-F65 HydrophobicContact CD1-CG 3.72Å; L42-F65 HydrophobicContact CD1-CZ 3.83Å; L42-F65 HydrophobicContact CD2-CD1 4.49Å; L42-F65 HydrophobicContact CD2-CE1 3.84Å; L42-F65 HydrophobicContact CD2-CE2 3.91Å; L42-F65 HydrophobicContact CD2-CZ 3.51Å; L42-F65 HydrophobicContact CG-CD1 3.74Å; L42-F65 HydrophobicContact CG-CD2 3.8Å; L42-F65 HydrophobicContact CG-CE1 3.58Å; L42-F65 HydrophobicContact CG-CE2 3.67Å; L42-F65 HydrophobicContact CG-CG 3.84Å; L42-F65 HydrophobicContact CG-CZ 3.55Å; V61-F65 HydrophobicContact CG1-CD2 4.08Å; V61-F65 HydrophobicContact CG1-CE2 4.24Å; V61-F65 WeakPolarHBondContact O-CD2 3.48Å; V61-F65 PolarHBondContact O-N 3.5Å; K62-F65 PolarHBondContact O-N 3Å; I63-F65 PolarHBondContact O-N 2.93Å; F65-R69 WeakPolarHBondContact O-CG 3.11Å; F65-R69 PolarHBondContact O-N 2.95Å; F65-R69 PolarHBondContact O-NH1 3.41Å
66Q98.1Very high96.2Very high106 Ų10675.4 Ų75.450%0.49534%0.343SS..Hα-helixtrans-63.6-51.6173.7-175.2177.130.300111.1K62 I63 W64 R68 R69 M70K62-Q66 PolarHBondContact O-N 3.48Å; K62-Q66 VanDerWaalsContact O-N 3.09Å; I63-Q66 WeakPolarHBondContact O-CB 3.33Å; I63-Q66 PolarHBondContact O-N 3.08Å; W64-Q66 VanDerWaalsContact C-N 3.28Å; W64-Q66 PolarHBondContact O-N 3.48Å; Q66-R68 VanDerWaalsContact C-N 3.31Å; Q66-R68 PolarHBondContact O-N 2.73Å; Q66-R69 PolarHBondContact O-N 2.86Å; Q66-M70 WeakPolarHBondContact O-CG 3.45Å; Q66-M70 PolarHBondContact O-N 3.23Å
67N97.8Very high95.3Very high97 Ų9782.8 Ų82.852%0.51937%0.37SS..Hα-helixtrans-61.3-40.7178.3-70.4-19.3000111.7I63 W64 M70 K71I63-N67 PolarHBondContact O-N 2.98Å; W64-N67 PolarHBondContact O-N 2.78Å; N67-M70 WeakPolarHBondContact O-CB 3.49Å; N67-M70 PolarHBondContact O-N 2.72Å; N67-M70 VanDerWaalsContact O-N 3.16Å; N67-K71 PolarHBondContact O-N 3.16Å
68R98.2Very high93.8Very high29 Ų2982.7 Ų82.711%0.10937%0.37CS..Hα-helixtrans-63.5-43178.4-178.160.9-171.5107-7.1112.1E33 F36 W64 Q66 M70 K71 W72 E75E33-R68 VanDerWaalsContact CD-NE 3.3Å; E33-R68 IonicContact OE1-CZ 3.88Å; E33-R68 IonicContact OE1-NE 3.87Å; E33-R68 PolarHBondContact OE1-NE 3.04Å; E33-R68 IonicContact OE1-NH2 3.04Å; E33-R68 PolarHBondContact OE1-NH2 3.39Å; E33-R68 WeakPolarHBondContact OE2-CD 3.41Å; E33-R68 IonicContact OE2-CZ 3.91Å; E33-R68 IonicContact OE2-NE 2.93Å; E33-R68 PolarHBondContact OE2-NE 3.31Å; F36-R68 HydrophobicContact CB-CG 4.28Å; F36-R68 HydrophobicContact CD1-CG 3.62Å; F36-R68 HydrophobicContact CD2-CB 4.26Å; F36-R68 HydrophobicContact CD2-CG 3.57Å; F36-R68 HydrophobicContact CE1-CG 3.74Å; F36-R68 HydrophobicContact CE2-CB 4.32Å; F36-R68 HydrophobicContact CE2-CG 3.7Å; F36-R68 HydrophobicContact CG-CG 3.53Å; F36-R68 HydrophobicContact CZ-CG 3.79Å; W64-R68 HydrophobicContact CD2-CB 4.45Å; W64-R68 HydrophobicContact CE3-CB 4.02Å; W64-R68 HydrophobicContact CH2-CB 3.86Å; W64-R68 HydrophobicContact CH2-CG 3.63Å; W64-R68 HydrophobicContact CZ2-CB 4.34Å; W64-R68 HydrophobicContact CZ2-CG 4.32Å; W64-R68 HydrophobicContact CZ3-CB 3.7Å; W64-R68 HydrophobicContact CZ3-CG 3.81Å; W64-R68 WeakPolarHBondContact O-CB 3.48Å; W64-R68 PolarHBondContact O-N 2.91Å; Q66-R68 VanDerWaalsContact C-N 3.31Å; Q66-R68 PolarHBondContact O-N 2.73Å; R68-M70 VanDerWaalsContact C-N 3.32Å; R68-M70 PolarHBondContact O-N 3.08Å; R68-K71 WeakPolarHBondContact O-CB 3.37Å; R68-K71 PolarHBondContact O-N 3.03Å; R68-W72 WeakPolarHBondContact O-CB 3.47Å; R68-W72 PolarHBondContact O-N 3.47Å; R68-E75 IonicContact CZ-OE2 3.37Å; R68-E75 IonicContact NH1-OE2 3.5Å; R68-E75 PolarHBondContact NH1-OE2 3.25Å; R68-E75 IonicContact NH2-OE2 3.49Å
69R97.7Very high91.9Very high63 Ų6383.6 Ų83.624%0.23839%0.385CS..Hα-helixtrans-61.9-38.2172-77.9-168-62-80.8-4.9112.5F36 R40 Y41 F65 Q66 W72 K73F36-R69 HydrophobicContact CE2-CG 3.77Å; F36-R69 HydrophobicContact CZ-CG 4.34Å; R40-R69 WeakPolarHBondContact O-CD 3.29Å; R40-R69 PolarHBondContact O-NH1 3.47Å; R40-R69 VanDerWaalsContact O-NH1 3.08Å; Y41-R69 VanDerWaalsContact CE1-CD 3.48Å; F65-R69 WeakPolarHBondContact O-CG 3.11Å; F65-R69 PolarHBondContact O-N 2.95Å; F65-R69 PolarHBondContact O-NH1 3.41Å; Q66-R69 PolarHBondContact O-N 2.86Å; R69-W72 PolarHBondContact O-N 3.13Å; R69-K73 WeakPolarHBondContact O-CB 3.43Å; R69-K73 PolarHBondContact O-N 3.04Å
70M97.1Very high90.2Very high107 Ų10782.2 Ų82.253%0.52739%0.393SS..Hα-helixtrans-62.2-44174.9-68-58.5-69.500111.5Q66 N67 R68 K73 K74Q66-M70 WeakPolarHBondContact O-CG 3.45Å; Q66-M70 PolarHBondContact O-N 3.23Å; N67-M70 WeakPolarHBondContact O-CB 3.49Å; N67-M70 PolarHBondContact O-N 2.72Å; N67-M70 VanDerWaalsContact O-N 3.16Å; R68-M70 VanDerWaalsContact C-N 3.32Å; R68-M70 PolarHBondContact O-N 3.08Å; M70-K73 PolarHBondContact O-N 2.71Å; M70-K74 PolarHBondContact O-N 3.01Å; M70-K74 VanDerWaalsContact O-N 3.14Å
71K95.5Very high88.3Confident123 Ų12387.6 Ų87.654%0.53542%0.418SS..Hα-helixtrans-62.1-48.4174.7-163.7-167.1-175.1-124.70111.6N67 R68 K73 K74 E75N67-K71 PolarHBondContact O-N 3.16Å; R68-K71 WeakPolarHBondContact O-CB 3.37Å; R68-K71 PolarHBondContact O-N 3.03Å; K71-K73 VanDerWaalsContact C-N 3.35Å; K71-K73 PolarHBondContact O-N 3.13Å; K71-K74 WeakPolarHBondContact O-CB 3.43Å; K71-K74 PolarHBondContact O-N 3.35Å; K71-E75 WeakPolarHBondContact CD-OE1 3.47Å; K71-E75 WeakPolarHBondContact CE-OE1 3.48Å; K71-E75 WeakPolarHBondContact CG-OE1 3.38Å; K71-E75 IonicContact NZ-OE1 3.75Å; K71-E75 PolarHBondContact NZ-OE1 3.5Å; K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 2.9Å
72W95.7Very high86.3Confident79 Ų7990.6 Ų90.630%0.29944%0.443SS..Hα-helixtrans-56.7-47.4177.417770.8000111.2F36 R40 R68 R69 K74 E75 N76F36-W72 HydrophobicContact CE1-CB 4.2Å; F36-W72 HydrophobicContact CE1-CG 4.3Å; F36-W72 HydrophobicContact CZ-CB 3.9Å; F36-W72 HydrophobicContact CZ-CG 4.09Å; R40-W72 VanDerWaalsContact NE-CE2 3.28Å; R40-W72 VanDerWaalsContact NE-CZ2 3.31Å; R68-W72 WeakPolarHBondContact O-CB 3.47Å; R68-W72 PolarHBondContact O-N 3.47Å; R69-W72 PolarHBondContact O-N 3.13Å; W72-K74 VanDerWaalsContact C-N 3.28Å; W72-K74 PolarHBondContact O-N 3.02Å; W72-E75 WeakPolarHBondContact CA-OE2 3.36Å; W72-E75 PolarHBondContact O-N 3.01Å; W72-N76 PolarHBondContact NE1-ND2 3.39Å; W72-N76 PolarHBondContact O-N 3.07Å; W72-N76 PolarHBondContact O-ND2 3.4Å
73K94.6Very high84.4Confident91 Ų9189.3 Ų89.340%0.39646%0.455SS..Hα-helixtrans-58.4-38.8176.2-173.9178.467.6178.40112.5R69 M70 K71 R77R69-K73 WeakPolarHBondContact O-CB 3.43Å; R69-K73 PolarHBondContact O-N 3.04Å; M70-K73 PolarHBondContact O-N 2.71Å; K71-K73 VanDerWaalsContact C-N 3.35Å; K71-K73 PolarHBondContact O-N 3.13Å; K73-R77 WeakPolarHBondContact O-CG 3.41Å; K73-R77 PolarHBondContact O-N 3.29Å
74K92.7Very high82.4Confident155 Ų15594.2 Ų94.267%0.67448%0.482SS*.Hα-helixtrans-66.9-46.8176.1-172177.5179.8-179.30111M70 K71 W72 N76 R77 V78M70-K74 PolarHBondContact O-N 3.01Å; M70-K74 VanDerWaalsContact O-N 3.14Å; K71-K74 WeakPolarHBondContact O-CB 3.43Å; K71-K74 PolarHBondContact O-N 3.35Å; W72-K74 VanDerWaalsContact C-N 3.28Å; W72-K74 PolarHBondContact O-N 3.02Å; K74-N76 VanDerWaalsContact C-N 3.27Å; K74-N76 PolarHBondContact O-N 3.05Å; K74-R77 PolarHBondContact O-N 3.18Å; K74-V78 WeakPolarHBondContact O-CG2 3.41Å; K74-V78 PolarHBondContact O-N 3.42Å
75E91.4Very high80.2Confident76 Ų7697.7 Ų97.736%0.35551%0.51SS..Hα-helixtrans-57.2-37.8178.2-69.5162.8169.200112R68 K71 W72R68-E75 IonicContact CZ-OE2 3.37Å; R68-E75 IonicContact NH1-OE2 3.5Å; R68-E75 PolarHBondContact NH1-OE2 3.25Å; R68-E75 IonicContact NH2-OE2 3.49Å; K71-E75 WeakPolarHBondContact CD-OE1 3.47Å; K71-E75 WeakPolarHBondContact CE-OE1 3.48Å; K71-E75 WeakPolarHBondContact CG-OE1 3.38Å; K71-E75 IonicContact NZ-OE1 3.75Å; K71-E75 PolarHBondContact NZ-OE1 3.5Å; K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 2.9Å; W72-E75 WeakPolarHBondContact CA-OE2 3.36Å; W72-E75 PolarHBondContact O-N 3.01Å
76N85.4Confident77.9Confident84 Ų84103.2 Ų103.245%0.44955%0.549SS..Hα-helixtrans-79.8-19.3-179.1-72-103.8000114.1W72 K74W72-N76 PolarHBondContact NE1-ND2 3.39Å; W72-N76 PolarHBondContact O-N 3.07Å; W72-N76 PolarHBondContact O-ND2 3.4Å; K74-N76 VanDerWaalsContact C-N 3.27Å; K74-N76 PolarHBondContact O-N 3.05Å
77R77.8Confident75.7Confident168 Ų168103.7 Ų103.763%0.63456%0.56SS**Hα-helixtrans-81.2-33.3177.2-74.2178179.9-155.3-4.7112.2K73 K74 S79 V80K73-R77 WeakPolarHBondContact O-CG 3.41Å; K73-R77 PolarHBondContact O-N 3.29Å; K74-R77 PolarHBondContact O-N 3.18Å; R77-S79 PolarHBondContact O-N 3.18Å; R77-V80 PolarHBondContact O-N 3.14Å
78V65.4Low73.7Confident76 Ų76105.7 Ų105.746%0.46157%0.566SS.*Hα-helixtrans-70.3-21.7-176.6179.50000112.1K74 V80 E81 A82K74-V78 WeakPolarHBondContact O-CG2 3.41Å; K74-V78 PolarHBondContact O-N 3.42Å; V78-V80 PolarHBondContact O-N 3.47Å; V78-V80 VanDerWaalsContact O-N 3.17Å; V78-E81 PolarHBondContact O-N 2.9Å; V78-A82 HydrophobicContact CG1-CB 4.28Å; V78-A82 WeakPolarHBondContact O-CB 3.36Å; V78-A82 PolarHBondContact O-N 3.37Å; V78-A82 VanDerWaalsContact O-N 3.09Å
79S59.5Low71.4Confident96 Ų96112.7 Ų112.767%0.67160%0.597SS**THydrogen-bonded Turntrans-66.1-13.8176.3-63.60000114.8R77R77-S79 PolarHBondContact O-N 3.18Å
80V59.9Low69Low126 Ų126116.7 Ų116.776%0.76462%0.623SS**THydrogen-bonded Turntrans-91.5-21.2177.6-170.90000112.1R77 V78R77-V80 PolarHBondContact O-N 3.14Å; V78-V80 PolarHBondContact O-N 3.47Å; V78-V80 VanDerWaalsContact O-N 3.17Å
81E57.4Low67Low158 Ų158116.1 Ų116.174%0.73863%0.63SS**THydrogen-bonded Turntrans-108.6-15.9-175.7-64.1177.8125.400113.1V78 A83V78-E81 PolarHBondContact O-N 2.9Å; E81-A83 VanDerWaalsContact C-N 3.33Å; E81-A83 PolarHBondContact O-N 3.02Å
82A57Low64.7Low63 Ų63115.3 Ų115.352%0.52164%0.64SS.*G310 helixtrans-82.70.5-177.500000115.3V78 D84V78-A82 HydrophobicContact CG1-CB 4.28Å; V78-A82 WeakPolarHBondContact O-CB 3.36Å; V78-A82 PolarHBondContact O-N 3.37Å; V78-A82 VanDerWaalsContact O-N 3.09Å; A82-D84 VanDerWaalsContact C-N 3.31Å
83A56.4Low62.8Low95 Ų95116.9 Ų116.979%0.78566%0.658SS**G310 helixtrans-80.2-7.7176.500000113.8E81E81-A83 VanDerWaalsContact C-N 3.33Å; E81-A83 PolarHBondContact O-N 3.02Å
84D56.7Low60.4Low155 Ų155120.3 Ų120.383%0.82968%0.675SS**G310 helixtrans-123.719.6-172.9-163.139.3000114.6A82A82-D84 VanDerWaalsContact C-N 3.31Å
85S52.3Low58.3Low101 Ų101116.4 Ų116.471%0.70668%0.68SS**  trans-14265.9176.6-145.80000112.3
86S50.2Low56.8Low119 Ų119120.5 Ų120.583%0.83270%0.698SS**  trans-96.780.3163.1-66.90000109
87T50.9Low55.4Low117 Ų117122.7 Ų122.772%0.71872%0.715SS**  trans-147.397.4166.9-30.50000111.1
88E56Low54.6Low139 Ų139119.9 Ų119.965%0.6572%0.721SS**  trans68.1123.8131.4-55.5-73.1105.200121.3
89K50.8Low54.8Low175 Ų175123.6 Ų123.676%0.76174%0.737SS**  trans82.9108.6141.3-63.7161.5-176.3158.20117.2
90D46.9Very low55.4Low147 Ų147124.7 Ų124.779%0.78674%0.742SS**  69.5136.577.8-169.767.7000113.6
91S54.2Low55.9Low96 Ų96127.7 Ų127.767%0.67175%0.745SS**  trans94.9106168-66.10000120.7
92S47.9Very low56.7Low106 Ų106124.3 Ų124.374%0.74174%0.744SS**  71.2116.1115.4-142.60000122.2
93V55.8Low57.3Low112 Ų112130.2 Ų130.268%0.67976%0.761SS**  71.5130.3126.2169.90000121.7
94Q44.6Very low57.7Low162 Ų162131.1 Ų131.176%0.75776%0.761SS**  trans59.1110.8155.9-81.6164.1-61.400120
95G48.3Very low58.2Low74 Ų74127.3 Ų127.376%0.76376%0.759SS**  trans-13789.9161.100000110.5T97G95-T97 PolarHBondContact O-N 3.36Å
96Q59Low58.8Low161 Ų161128 Ų12875%0.75276%0.764SS**  trans-63.8117.6174.6-59.2169.255.100108.6S98Q96-S98 PolarHBondContact O-N 3.3Å
97T57.3Low59.6Low131 Ų131126 Ų12680%0.80476%0.761SS**  trans-86.292.3171.160.20000108.5G95 I99G95-T97 PolarHBondContact O-N 3.36Å; T97-I99 PolarHBondContact O-N 3.33Å
98S60.5Low60.6Low109 Ų109128.4 Ų128.476%0.76277%0.769SS**  trans-66.4115.8172.3-54.60000109.8Q96Q96-S98 PolarHBondContact O-N 3.3Å
99I70.3Confident60.9Low153 Ų153127 Ų12779%0.78577%0.774SS**PPolyproline II helixtrans-85122.7171.2-47172.6000106.9T97 F101T97-I99 PolarHBondContact O-N 3.33Å; I99-F101 PolarHBondContact O-N 3.35Å
100P71Confident61.6Low119 Ų119128.9 Ų128.977%0.77380%0.801SS**PPolyproline II helixtrans-69.2123.5175.426.1-30.7000110.4A102P100-A102 PolarHBondContact O-N 3.09Å
101F70.7Confident62.3Low189 Ų189128 Ų12883%0.82980%0.802SS**PPolyproline II helixtrans-71.1117.1172.1174.2-100.5000109.5I99I99-F101 PolarHBondContact O-N 3.35Å
102A75Confident62.8Low88 Ų88129.6 Ų129.673%0.72781%0.809SS**PPolyproline II helixtrans-73.2124.7175.800000110.5P100 S104P100-A102 PolarHBondContact O-N 3.09Å; A102-S104 PolarHBondContact O-N 3.17Å
103Q67.9Low63.6Low187 Ų187130.9 Ų130.987%0.87481%0.812SS**PPolyproline II helixtrans-63.1125.3174.1-85.3173.6-88.100111.3G105Q103-G105 PolarHBondContact O-N 3.24Å
104S65.5Low64Low113 Ų113132.1 Ų132.179%0.7982%0.82SS**  trans-64.7110.2161.5165.40000109.5A102 S106A102-S104 PolarHBondContact O-N 3.17Å; S104-S106 PolarHBondContact O-N 3.41Å
105G67.5Low65.3Low75 Ų75130.2 Ų130.277%0.77382%0.824SS**  trans-74.3111.9165.900000110.5Q103Q103-G105 PolarHBondContact O-N 3.24Å
106S65.3Low66.4Low116 Ų116133.9 Ų133.981%0.81183%0.828SS**  trans-67.8125.7163.745.50000110.4S104S104-S106 PolarHBondContact O-N 3.41Å
107G67.3Low66.9Low76 Ų76132 Ų13278%0.78483%0.834SS**  trans-133.9120.6170.900000109.9
108L71.3Confident67.7Low168 Ų168132.1 Ų132.188%0.8884%0.836SS**  trans-56.5156.7-169.4-101.264.8000116.4
109S62.8Low68.3Low109 Ų109134 Ų13476%0.76284%0.842SS**  trans-75.7141.3164.864.20000112.8
110T64.6Low68.1Low215 Ų215132.3 Ų132.3100%1.31985%0.847SS**  trans-1500135.1-65.60000106.7

Retrieved 110 of 110 residues in 45.7 ms (Link to these results)