A0A077Z6Z3_TRITR Loading...

Histone domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6Z3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 82 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
1M53.9Low55.4Low203 Ų203131.1 Ų131.1100%164%0.644SS**  0-35.60-66.7-57-11000114.1
2R52.9Low55.2Low216 Ų216129.5 Ų129.582%0.81565%0.653SS**Hα-helixtrans-72-44.7175.2-88.7-175.3175.8172.6-1.8113.2H4 R5 E6R2-H4 PolarHBondContact O-N 3.29Å; R2-R5 WeakPolarHBondContact O-CB 3.48Å; R2-R5 PolarHBondContact O-N 3.27Å; R2-E6 PolarHBondContact O-N 2.99Å
3E57.8Low55.2Low162 Ų162125 Ų12576%0.75766%0.659SS**Hα-helixtrans-62.5-38.4-178.8-67173.8157.600113R5 E6 A7E3-R5 PolarHBondContact O-N 3.37Å; E3-E6 PolarHBondContact O-N 3.4Å; E3-A7 PolarHBondContact O-N 3.15Å
4H55.1Low55.1Low104 Ų104120.2 Ų120.248%0.48166%0.655SS.*Hα-helixtrans-60.5-31.7172.7-106.7-67.5000113.4R2 M8 E31R2-H4 PolarHBondContact O-N 3.29Å; H4-M8 WeakPolarHBondContact O-CG 3.38Å; H4-M8 PolarHBondContact O-N 3.07Å; H4-E31 IonicContact CE1-OE2 3.84Å
5R54Low55Low210 Ų210124.3 Ų124.379%0.79267%0.673SS**Hα-helixtrans-77.7-32.3-179.1-137.2178.5-170.4166.72.7111.5R2 E3 G9R2-R5 WeakPolarHBondContact O-CB 3.48Å; R2-R5 PolarHBondContact O-N 3.27Å; E3-R5 PolarHBondContact O-N 3.37Å; R5-G9 PolarHBondContact O-N 3.21Å
6E58.4Low55.3Low136 Ų136121.1 Ų121.164%0.63668%0.678SS**Hα-helixtrans-71.3-41.7174.1-71174.7-176.900111.3R2 E3 M8 G9 T10R2-E6 PolarHBondContact O-N 2.99Å; E3-E6 PolarHBondContact O-N 3.4Å; E6-M8 VanDerWaalsContact C-N 3.33Å; E6-M8 PolarHBondContact O-N 3.25Å; E6-G9 PolarHBondContact O-N 3.2Å; E6-G9 VanDerWaalsContact O-N 3.07Å; E6-T10 PolarHBondContact O-N 3.04Å; E6-T10 VanDerWaalsContact O-N 3.15Å; E6-T10 PolarHBondContact O-OG1 3.48Å
7A55.5Low55.6Low41 Ų41119.1 Ų119.134%0.33967%0.666SS.*Hα-helixtrans-60.8-39.2173.900000112.7E3 G9 T10 L11E3-A7 PolarHBondContact O-N 3.15Å; A7-G9 VanDerWaalsContact C-N 3.34Å; A7-G9 PolarHBondContact O-N 3.19Å; A7-T10 PolarHBondContact O-N 3.26Å; A7-L11 WeakPolarHBondContact O-CD1 3.42Å; A7-L11 WeakPolarHBondContact O-CG 3.46Å; A7-L11 PolarHBondContact O-N 3.45Å
8M52.8Low55.9Low131 Ų131118.6 Ų118.665%0.64567%0.669SS**Hα-helixtrans-66.7-31.8173.2-76.9-164.883.600113.3H4 E6 L11H4-M8 WeakPolarHBondContact O-CG 3.38Å; H4-M8 PolarHBondContact O-N 3.07Å; E6-M8 VanDerWaalsContact C-N 3.33Å; E6-M8 PolarHBondContact O-N 3.25Å; M8-L11 PolarHBondContact O-N 3.5Å
9G56.5Low56.2Low52 Ų52117.2 Ų117.254%0.53666%0.663SS.*Hα-helixtrans-68-37.3176.100000113R5 E6 A7R5-G9 PolarHBondContact O-N 3.21Å; E6-G9 PolarHBondContact O-N 3.2Å; E6-G9 VanDerWaalsContact O-N 3.07Å; A7-G9 VanDerWaalsContact C-N 3.34Å; A7-G9 PolarHBondContact O-N 3.19Å
10T59.6Low56.3Low112 Ų112121 Ų12169%0.68767%0.666SS**Hα-helixtrans-72.3-30.4176.5-49.10000112.6E6 A7 C12 G13E6-T10 PolarHBondContact O-N 3.04Å; E6-T10 VanDerWaalsContact O-N 3.15Å; E6-T10 PolarHBondContact O-OG1 3.48Å; A7-T10 PolarHBondContact O-N 3.26Å; T10-C12 PolarHBondContact O-N 3.42Å; T10-G13 PolarHBondContact O-N 3.48Å
11L52.4Low56.4Low75 Ų75116.9 Ų116.939%0.39365%0.652SS.*Hα-helixtrans-67.6-30.4178.8-83.9163.1000114.2A7 M8 A24 L28A7-L11 WeakPolarHBondContact O-CD1 3.42Å; A7-L11 WeakPolarHBondContact O-CG 3.46Å; A7-L11 PolarHBondContact O-N 3.45Å; M8-L11 PolarHBondContact O-N 3.5Å; L11-A24 HydrophobicContact CD2-CB 3.48Å; L11-A24 VanDerWaalsContact CD2-CB 3.48Å; L11-L28 HydrophobicContact CD1-CD1 3.51Å
12C53.7Low56.7Low112 Ų112111.5 Ų111.576%0.75763%0.63SS**Hα-helixtrans-83.5-17.3180-163.50000112.8T10T10-C12 PolarHBondContact O-N 3.42Å
13G55.5Low57.2Low71 Ų71106 Ų10673%0.73262%0.616SS**SBendtrans-91.59.6-17300000117.2T10T10-G13 PolarHBondContact O-N 3.48Å
14G52.9Low57.3Low58 Ų5899.7 Ų99.760%0.59859%0.592SS**  trans-132.165.9-169.600000115.2G16G14-G16 PolarHBondContact O-N 3.24Å
15I54.4Low57.7Low182 Ų18299.3 Ų99.393%0.93360%0.597SS**THydrogen-bonded Turntrans-75.257.1177.5-44.3175.4000111.3
16G60.2Low58.2Low73 Ų7394.1 Ų94.175%0.75358%0.584SS**THydrogen-bonded Turntrans-139.2-13.2-172.500000117.2G14G14-G16 PolarHBondContact O-N 3.24Å
17N59.2Low58.7Low86 Ų8690.4 Ų90.446%0.4657%0.573SS.*  trans-153.3110.1179.9-165.6-37.3000112.1V19 R20 G21N17-V19 PolarHBondContact O-N 3.22Å; N17-V19 WeakPolarHBondContact OD1-CB 3.43Å; N17-V19 PolarHBondContact OD1-N 3.17Å; N17-R20 HydrophobicContact CB-CB 4.07Å; N17-R20 PolarHBondContact O-N 3.4Å; N17-G21 PolarHBondContact O-N 2.89Å
18P61.1Low59Low111 Ų11191.2 Ų91.272%0.72157%0.572SS**Hα-helixtrans-64.8-22.4-178.525.8-33.2000113.3T22P18-T22 PolarHBondContact O-N 3.38Å; P18-T22 PolarHBondContact O-OG1 3.49Å
19V62.5Low59.5Low92 Ų9288.1 Ų88.156%0.55857%0.567SS**Hα-helixtrans-76.5-37.2178.9-173.30000111N17 T22 L23N17-V19 PolarHBondContact O-N 3.22Å; N17-V19 WeakPolarHBondContact OD1-CB 3.43Å; N17-V19 PolarHBondContact OD1-N 3.17Å; V19-T22 PolarHBondContact O-N 3.07Å; V19-L23 HydrophobicContact CG1-CD1 4.05Å; V19-L23 WeakPolarHBondContact O-CB 3.4Å; V19-L23 PolarHBondContact O-N 3.29Å
20R57.6Low59.8Low193 Ų19391.4 Ų91.473%0.72857%0.568SS**Hα-helixtrans-73.2-34.5-177.9-157.4173.1-177.2177.1-0.1112.4N17 A24N17-R20 HydrophobicContact CB-CB 4.07Å; N17-R20 PolarHBondContact O-N 3.4Å; R20-A24 WeakPolarHBondContact O-CB 3.47Å; R20-A24 PolarHBondContact O-N 3.49Å
21G57.7Low59.7Low35 Ų3591.5 Ų91.536%0.36156%0.561SS.*Hα-helixtrans-63.4-47.3171.600000111.9N17 L23 A24 V25N17-G21 PolarHBondContact O-N 2.89Å; G21-L23 PolarHBondContact O-N 3.06Å; G21-A24 PolarHBondContact O-N 3.49Å; G21-V25 VanDerWaalsContact O-CG2 3.3Å; G21-V25 WeakPolarHBondContact O-CG2 3.3Å; G21-V25 PolarHBondContact O-N 3.46Å; G21-V25 VanDerWaalsContact O-N 3.07Å
22T61Low60.2Low89 Ų8990.1 Ų90.155%0.54657%0.565SS.*Hα-helixtrans-62.6-43177.6-50.30000112.3P18 V19 A24 V25 L26P18-T22 PolarHBondContact O-N 3.38Å; P18-T22 PolarHBondContact O-OG1 3.49Å; V19-T22 PolarHBondContact O-N 3.07Å; T22-A24 PolarHBondContact O-N 3Å; T22-V25 PolarHBondContact O-N 3.41Å; T22-L26 HydrophobicContact CG2-CD1 4.35Å; T22-L26 PolarHBondContact O-N 2.99Å; T22-L26 VanDerWaalsContact O-N 3.08Å
23L62.4Low60.5Low100 Ų10092.2 Ų92.252%0.52456%0.558SS.*Hα-helixtrans-61.6-41.2175.4-85.9161.3000112.5V19 G21 L26 S27V19-L23 HydrophobicContact CG1-CD1 4.05Å; V19-L23 WeakPolarHBondContact O-CB 3.4Å; V19-L23 PolarHBondContact O-N 3.29Å; G21-L23 PolarHBondContact O-N 3.06Å; L23-L26 PolarHBondContact O-N 2.88Å; L23-S27 PolarHBondContact O-N 3.29Å; L23-S27 PolarHBondContact O-OG 3.36Å
24A61.4Low61.1Low30 Ų3093.5 Ų93.525%0.24855%0.545CS..Hα-helixtrans-70.8-32.3179.900000112.9L11 R20 G21 T22 L28L11-A24 HydrophobicContact CD2-CB 3.48Å; L11-A24 VanDerWaalsContact CD2-CB 3.48Å; R20-A24 WeakPolarHBondContact O-CB 3.47Å; R20-A24 PolarHBondContact O-N 3.49Å; G21-A24 PolarHBondContact O-N 3.49Å; T22-A24 PolarHBondContact O-N 3Å; A24-L28 WeakPolarHBondContact O-CG 3.37Å; A24-L28 PolarHBondContact O-N 3.46Å
25V62.6Low61.9Low96 Ų9698 Ų9858%0.58255%0.548SS*.Hα-helixtrans-67.5-37.7171.7179.20000111.3G21 T22 A29G21-V25 VanDerWaalsContact O-CG2 3.3Å; G21-V25 WeakPolarHBondContact O-CG2 3.3Å; G21-V25 PolarHBondContact O-N 3.46Å; G21-V25 VanDerWaalsContact O-N 3.07Å; T22-V25 PolarHBondContact O-N 3.41Å; V25-A29 PolarHBondContact O-N 3.34Å; V25-A29 VanDerWaalsContact O-N 3.14Å
26L65Low63.2Low101 Ų10194.1 Ų94.153%0.52953%0.529SS..Hα-helixtrans-65.5-43.6174.1-80.8158.2000112.3T22 L23 L28 A29 Q30T22-L26 HydrophobicContact CG2-CD1 4.35Å; T22-L26 PolarHBondContact O-N 2.99Å; T22-L26 VanDerWaalsContact O-N 3.08Å; L23-L26 PolarHBondContact O-N 2.88Å; L26-L28 PolarHBondContact O-N 3.25Å; L26-A29 PolarHBondContact O-N 3.33Å; L26-Q30 WeakPolarHBondContact O-CG 3.34Å; L26-Q30 PolarHBondContact O-N 3.22Å; L26-Q30 VanDerWaalsContact O-N 3.13Å
27S68.2Low64.4Low59 Ų5993 Ų9341%0.41351%0.506SS..Hα-helixtrans-63.3-41.2177.9-63.80000112.7L23 A29 Q30 E31L23-S27 PolarHBondContact O-N 3.29Å; L23-S27 PolarHBondContact O-OG 3.36Å; S27-A29 VanDerWaalsContact C-N 3.31Å; S27-A29 PolarHBondContact O-N 3.4Å; S27-Q30 PolarHBondContact O-N 3.13Å; S27-E31 PolarHBondContact O-N 3.14Å
28L63.1Low65.5Low58 Ų5893.8 Ų93.830%0.30451%0.509SS..Hα-helixtrans-66.6-31.6175.3-71.2176.8000112.9L11 A24 L26 Q30L11-L28 HydrophobicContact CD1-CD1 3.51Å; A24-L28 WeakPolarHBondContact O-CG 3.37Å; A24-L28 PolarHBondContact O-N 3.46Å; L26-L28 PolarHBondContact O-N 3.25Å; L28-Q30 VanDerWaalsContact C-N 3.32Å
29A62.2Low66.8Low66 Ų6693.7 Ų93.755%0.54550%0.502SS..Hα-helixtrans-69.8-30.1174.900000112.4V25 L26 S27V25-A29 PolarHBondContact O-N 3.34Å; V25-A29 VanDerWaalsContact O-N 3.14Å; L26-A29 PolarHBondContact O-N 3.33Å; S27-A29 VanDerWaalsContact C-N 3.31Å; S27-A29 PolarHBondContact O-N 3.4Å
30Q63.1Low68.2Low121 Ų12194.8 Ų94.857%0.56550%0.501SS*.Hα-helixtrans-73-33179.3-70.1174.4-66.400112.8L26 S27 L28 G32 Y33 Q34L26-Q30 WeakPolarHBondContact O-CG 3.34Å; L26-Q30 PolarHBondContact O-N 3.22Å; L26-Q30 VanDerWaalsContact O-N 3.13Å; S27-Q30 PolarHBondContact O-N 3.13Å; L28-Q30 VanDerWaalsContact C-N 3.32Å; Q30-G32 VanDerWaalsContact C-N 3.29Å; Q30-G32 PolarHBondContact O-N 3.22Å; Q30-Y33 PolarHBondContact O-N 3Å; Q30-Q34 WeakPolarHBondContact O-CG 3.28Å; Q30-Q34 PolarHBondContact O-N 3.43Å
31E58.7Low69.8Low113 Ų11390.4 Ų90.453%0.52849%0.489SS..Hα-helixtrans-63.5-32.8-179.7-69.4174.5-174.900112.9H4 S27H4-E31 IonicContact CE1-OE2 3.84Å; S27-E31 PolarHBondContact O-N 3.14Å
32G61Low71.4Confident46 Ų4691.6 Ų91.647%0.47450%0.495SS..Hα-helixtrans-72.7-37.6175.700000113.6Q30 Q34 K35Q30-G32 VanDerWaalsContact C-N 3.29Å; Q30-G32 PolarHBondContact O-N 3.22Å; G32-Q34 PolarHBondContact O-N 3.3Å; G32-K35 PolarHBondContact O-N 3.08Å
33Y60.6Low73Confident156 Ų15690.7 Ų90.761%0.61249%0.49SS*.Hα-helixtrans-69.9-33.2-176.7-170.4-94.4000112.8Q30 K35 D36 L37Q30-Y33 PolarHBondContact O-N 3Å; Y33-K35 VanDerWaalsContact C-N 3.28Å; Y33-K35 PolarHBondContact O-N 3.01Å; Y33-D36 PolarHBondContact O-N 3.39Å; Y33-L37 HydrophobicContact CE1-CB 4.5Å; Y33-L37 HydrophobicContact CE1-CD2 4.37Å; Y33-L37 PolarHBondContact O-N 3.04Å
34Q68.8Low74.5Confident99 Ų9992 Ų9246%0.46349%0.493SS..Hα-helixtrans-63.5-34.9179.8-64.2-57.8-72.600112Q30 G32 L38Q30-Q34 WeakPolarHBondContact O-CG 3.28Å; Q30-Q34 PolarHBondContact O-N 3.43Å; G32-Q34 PolarHBondContact O-N 3.3Å; Q34-L38 VanDerWaalsContact O-CB 3.27Å; Q34-L38 WeakPolarHBondContact O-CB 3.27Å; Q34-L38 WeakPolarHBondContact O-CD1 3.47Å; Q34-L38 WeakPolarHBondContact O-CG 3.48Å; Q34-L38 PolarHBondContact O-N 2.95Å
35K70.2Confident76.1Confident153 Ų15393.7 Ų93.767%0.66551%0.507SS*.Hα-helixtrans-64.6-45.9-178.3-175.7-175.9173.7-171.60112.1G32 Y33 L38 L39G32-K35 PolarHBondContact O-N 3.08Å; Y33-K35 VanDerWaalsContact C-N 3.28Å; Y33-K35 PolarHBondContact O-N 3.01Å; K35-L38 PolarHBondContact O-N 3.48Å; K35-L39 WeakPolarHBondContact O-CB 3.44Å; K35-L39 PolarHBondContact O-N 3.21Å
36D81.6Confident77.5Confident99 Ų9994 Ų9453%0.52950%0.499SS..Hα-helixtrans-68.4-41.3-178-66.9-20.8000110.5Y33 L39 Q40Y33-D36 PolarHBondContact O-N 3.39Å; D36-L39 PolarHBondContact O-N 2.94Å; D36-Q40 WeakPolarHBondContact O-CB 3.45Å; D36-Q40 VanDerWaalsContact O-CG 3.26Å; D36-Q40 WeakPolarHBondContact O-CG 3.08Å; D36-Q40 PolarHBondContact O-N 3.4Å
37L84.8Confident78.9Confident51 Ų5194 Ų9427%0.26750%0.497SS..Hα-helixtrans-61.9-47174.6-179.362.8000112Y33 L39 Q40 E41Y33-L37 HydrophobicContact CE1-CB 4.5Å; Y33-L37 HydrophobicContact CE1-CD2 4.37Å; Y33-L37 PolarHBondContact O-N 3.04Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.47Å; L37-Q40 WeakPolarHBondContact O-CB 3.26Å; L37-Q40 PolarHBondContact O-N 3.5Å; L37-E41 HydrophobicContact CD1-CG 4.21Å; L37-E41 HydrophobicContact CG-CG 4.4Å; L37-E41 WeakPolarHBondContact O-CB 3.49Å; L37-E41 WeakPolarHBondContact O-CG 3.4Å; L37-E41 PolarHBondContact O-N 3.21Å
38L82.9Confident80.2Confident102 Ų10295 Ų9553%0.53450%0.5SS..Hα-helixtrans-61.3-40.6178.8-73.2170.4000112Q34 K35 A42Q34-L38 VanDerWaalsContact O-CB 3.27Å; Q34-L38 WeakPolarHBondContact O-CB 3.27Å; Q34-L38 WeakPolarHBondContact O-CD1 3.47Å; Q34-L38 WeakPolarHBondContact O-CG 3.48Å; Q34-L38 PolarHBondContact O-N 2.95Å; K35-L38 PolarHBondContact O-N 3.48Å; L38-A42 VanDerWaalsContact O-CB 3.28Å; L38-A42 WeakPolarHBondContact O-CB 3.16Å; L38-A42 PolarHBondContact O-N 2.88Å
39L87.6Confident81.6Confident109 Ų10993.4 Ų93.457%0.57150%0.498SS*.Hα-helixtrans-67.4-39.5176.7-178.160.7000111.3K35 D36 L37 T43K35-L39 WeakPolarHBondContact O-CB 3.44Å; K35-L39 PolarHBondContact O-N 3.21Å; D36-L39 PolarHBondContact O-N 2.94Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.47Å; L39-T43 VanDerWaalsContact O-CB 3.28Å; L39-T43 WeakPolarHBondContact O-CB 3.34Å; L39-T43 PolarHBondContact O-N 3.38Å; L39-T43 PolarHBondContact O-OG1 2.91Å
40Q92.9Very high83.1Confident114 Ų11491.2 Ų91.253%0.53348%0.477SS..Hα-helixtrans-62.5-51174.7-76.1176-18.700111.1D36 L37 A42 T43 E44D36-Q40 WeakPolarHBondContact O-CB 3.45Å; D36-Q40 VanDerWaalsContact O-CG 3.26Å; D36-Q40 WeakPolarHBondContact O-CG 3.08Å; D36-Q40 PolarHBondContact O-N 3.4Å; L37-Q40 WeakPolarHBondContact O-CB 3.26Å; L37-Q40 PolarHBondContact O-N 3.5Å; Q40-A42 VanDerWaalsContact C-N 3.33Å; Q40-A42 PolarHBondContact O-N 3.17Å; Q40-T43 PolarHBondContact O-N 3.45Å; Q40-T43 VanDerWaalsContact O-N 3.1Å; Q40-E44 WeakPolarHBondContact O-CB 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.34Å; Q40-E44 PolarHBondContact O-N 3.44Å
41E90.9Very high84.6Confident102 Ų10288.9 Ų88.948%0.47747%0.468SS..Hα-helixtrans-58.3-44177.8-73.7178.6176.600111.8L37 T43 E44 A45L37-E41 HydrophobicContact CD1-CG 4.21Å; L37-E41 HydrophobicContact CG-CG 4.4Å; L37-E41 WeakPolarHBondContact O-CB 3.49Å; L37-E41 WeakPolarHBondContact O-CG 3.4Å; L37-E41 PolarHBondContact O-N 3.21Å; E41-T43 PolarHBondContact O-N 3.38Å; E41-E44 PolarHBondContact O-N 2.98Å; E41-A45 WeakPolarHBondContact O-CB 3.4Å; E41-A45 PolarHBondContact O-N 3.23Å
42A91.4Very high86.3Confident60 Ų6089.5 Ų89.550%0.49647%0.471SS..Hα-helixtrans-64.2-40.1175.900000112.4L38 Q40 Y46L38-A42 VanDerWaalsContact O-CB 3.28Å; L38-A42 WeakPolarHBondContact O-CB 3.16Å; L38-A42 PolarHBondContact O-N 2.88Å; Q40-A42 VanDerWaalsContact C-N 3.33Å; Q40-A42 PolarHBondContact O-N 3.17Å; A42-Y46 WeakPolarHBondContact O-CB 3.47Å; A42-Y46 PolarHBondContact O-N 3.49Å
43T94.2Very high87.9Confident69 Ų6989.8 Ų89.842%0.42346%0.462SS..Hα-helixtrans-68.7-41.1178.3-56.60000111.2L39 Q40 E41 Y46 M47L39-T43 VanDerWaalsContact O-CB 3.28Å; L39-T43 WeakPolarHBondContact O-CB 3.34Å; L39-T43 PolarHBondContact O-N 3.38Å; L39-T43 PolarHBondContact O-OG1 2.91Å; Q40-T43 PolarHBondContact O-N 3.45Å; Q40-T43 VanDerWaalsContact O-N 3.1Å; E41-T43 PolarHBondContact O-N 3.38Å; T43-Y46 PolarHBondContact O-N 3.37Å; T43-M47 HydrophobicContact CG2-CG 4.37Å; T43-M47 WeakPolarHBondContact O-CB 3.28Å; T43-M47 WeakPolarHBondContact O-CG 3.41Å; T43-M47 PolarHBondContact O-N 3.05Å
44E94.2Very high89.6Confident127 Ų12782.3 Ų82.359%0.59343%0.433SS*.Hα-helixtrans-64.7-46.4176-75.3-178.5-175.600111.2Q40 E41 Y46 M47 V48Q40-E44 WeakPolarHBondContact O-CB 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.34Å; Q40-E44 PolarHBondContact O-N 3.44Å; E41-E44 PolarHBondContact O-N 2.98Å; E44-Y46 VanDerWaalsContact C-N 3.31Å; E44-Y46 PolarHBondContact O-N 2.94Å; E44-M47 PolarHBondContact O-N 2.67Å; E44-V48 WeakPolarHBondContact O-CB 3.45Å; E44-V48 VanDerWaalsContact O-CG2 3.25Å; E44-V48 WeakPolarHBondContact O-CG2 3.47Å; E44-V48 PolarHBondContact O-N 3.1Å
45A93.9Very high90.8Very high66 Ų6680.4 Ų80.455%0.54543%0.428SS..Hα-helixtrans-58.6-43.2176.200000112E41 G49E41-A45 WeakPolarHBondContact O-CB 3.4Å; E41-A45 PolarHBondContact O-N 3.23Å; A45-G49 PolarHBondContact O-N 3.38Å
46Y92.4Very high92Very high103 Ų10378.3 Ų78.340%0.40442%0.423SS..Hα-helixtrans-63.7-46.1175.2171.9-100.2000112.3A42 T43 E44 V48 G49 L50 E80A42-Y46 WeakPolarHBondContact O-CB 3.47Å; A42-Y46 PolarHBondContact O-N 3.49Å; T43-Y46 PolarHBondContact O-N 3.37Å; E44-Y46 VanDerWaalsContact C-N 3.31Å; E44-Y46 PolarHBondContact O-N 2.94Å; Y46-V48 PolarHBondContact O-N 2.8Å; Y46-G49 PolarHBondContact O-N 2.83Å; Y46-L50 HydrophobicContact CE1-CD2 4.33Å; Y46-L50 WeakPolarHBondContact O-CB 3.16Å; Y46-L50 PolarHBondContact O-N 2.99Å; Y46-E80 VanDerWaalsContact CE2-OE1 3.31Å; Y46-E80 WeakPolarHBondContact CE2-OE1 3.33Å; Y46-E80 PolarHBondContact OH-OE2 3.44Å
47M94.1Very high92.6Very high101 Ų10174.4 Ų74.450%0.49840%0.403SS..Hα-helixtrans-62.6-42178.4-75.8-88.2-71.600111.9T43 E44 L51T43-M47 HydrophobicContact CG2-CG 4.37Å; T43-M47 WeakPolarHBondContact O-CB 3.28Å; T43-M47 WeakPolarHBondContact O-CG 3.41Å; T43-M47 PolarHBondContact O-N 3.05Å; E44-M47 PolarHBondContact O-N 2.67Å; M47-L51 WeakPolarHBondContact O-CB 3.33Å; M47-L51 WeakPolarHBondContact O-CG 3.49Å; M47-L51 PolarHBondContact O-N 2.89Å
48V95.3Very high93.1Very high79 Ų7972.1 Ų72.148%0.47939%0.391SS..Hα-helixtrans-63-50.6177.3170.90000110.2E44 Y46 L50 L51 E52E44-V48 WeakPolarHBondContact O-CB 3.45Å; E44-V48 VanDerWaalsContact O-CG2 3.25Å; E44-V48 WeakPolarHBondContact O-CG2 3.47Å; E44-V48 PolarHBondContact O-N 3.1Å; Y46-V48 PolarHBondContact O-N 2.8Å; V48-L50 PolarHBondContact O-N 3.39Å; V48-L51 PolarHBondContact O-N 2.92Å; V48-L51 VanDerWaalsContact O-N 3.13Å; V48-E52 WeakPolarHBondContact O-CG 3.41Å; V48-E52 PolarHBondContact O-N 2.92Å
49G93Very high93.7Very high25 Ų2572.2 Ų72.226%0.25839%0.392SS..Hα-helixtrans-59.2-44.4177.700000112.8A45 Y46 L51 E52 D53A45-G49 PolarHBondContact O-N 3.38Å; Y46-G49 PolarHBondContact O-N 2.83Å; G49-L51 VanDerWaalsContact C-N 3.3Å; G49-L51 PolarHBondContact O-N 3.17Å; G49-E52 PolarHBondContact O-N 3.39Å; G49-D53 PolarHBondContact O-N 2.95Å
50L93.5Very high94Very high21 Ų2174.8 Ų74.811%0.1140%0.4CS..Hα-helixtrans-62-38.3176.4178.960.3000112.4Y46 V48 T54 I71 A74 R75Y46-L50 HydrophobicContact CE1-CD2 4.33Å; Y46-L50 WeakPolarHBondContact O-CB 3.16Å; Y46-L50 PolarHBondContact O-N 2.99Å; V48-L50 PolarHBondContact O-N 3.39Å; L50-T54 WeakPolarHBondContact O-CB 3.37Å; L50-T54 PolarHBondContact O-N 3.08Å; L50-T54 PolarHBondContact O-OG1 2.89Å; L50-I71 HydrophobicContact CD1-CG2 4.49Å; L50-I71 HydrophobicContact CD2-CG2 4.13Å; L50-I71 HydrophobicContact CG-CG2 4.47Å; L50-A74 HydrophobicContact CD1-CB 4Å; L50-R75 HydrophobicContact CD1-CG 3.66Å; L50-R75 HydrophobicContact CD2-CG 4.32Å
51L94.7Very high94.1Very high72 Ų7271.6 Ų71.638%0.37739%0.393SS..Hα-helixtrans-72.8-34178.8-74.2173000112.4M47 V48 G49 T54 V55 I66M47-L51 WeakPolarHBondContact O-CB 3.33Å; M47-L51 WeakPolarHBondContact O-CG 3.49Å; M47-L51 PolarHBondContact O-N 2.89Å; V48-L51 PolarHBondContact O-N 2.92Å; V48-L51 VanDerWaalsContact O-N 3.13Å; G49-L51 VanDerWaalsContact C-N 3.3Å; G49-L51 PolarHBondContact O-N 3.17Å; L51-T54 WeakPolarHBondContact O-CB 3.22Å; L51-T54 PolarHBondContact O-N 3.44Å; L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-V55 VanDerWaalsContact O-CG2 3.25Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.14Å; L51-I66 HydrophobicContact CD2-CD1 4.44Å
52E94.7Very high94.3Very high125 Ų12577.9 Ų77.958%0.58441%0.412SS*.Hα-helixtrans-58-49172.7-73.2174.6179.600110.9V48 G49 T54 V55 L56V48-E52 WeakPolarHBondContact O-CG 3.41Å; V48-E52 PolarHBondContact O-N 2.92Å; G49-E52 PolarHBondContact O-N 3.39Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 3.37Å; E52-V55 WeakPolarHBondContact O-CB 3.47Å; E52-V55 PolarHBondContact O-N 2.64Å; E52-L56 WeakPolarHBondContact O-CG 3.34Å; E52-L56 PolarHBondContact O-N 3.4Å
53D94Very high94.5Very high52 Ų5277.6 Ų77.628%0.27840%0.399SS..Hα-helixtrans-66.9-35.6176.8-70.2-47.5000112.9G49 V55 L56 C57 A74 H78G49-D53 PolarHBondContact O-N 2.95Å; D53-V55 VanDerWaalsContact C-N 3.32Å; D53-V55 PolarHBondContact O-N 3.44Å; D53-L56 PolarHBondContact O-N 3.05Å; D53-C57 PolarHBondContact O-N 3.14Å; D53-C57 PolarHBondContact O-SG 3.49Å; D53-A74 HydrophobicContact CB-CB 3.92Å; D53-H78 IonicContact OD2-CD2 3.61Å; D53-H78 IonicContact OD2-CE1 3.59Å; D53-H78 IonicContact OD2-NE2 2.64Å; D53-H78 PolarHBondContact OD2-NE2 3.47Å
54T95.5Very high94.3Very high0 Ų081.2 Ų81.20%042%0.42CS..Hα-helixtrans-63.7-39.9174.9-61.30000111.2L50 L51 E52 C57 A58 I66 D70 I71L50-T54 WeakPolarHBondContact O-CB 3.37Å; L50-T54 PolarHBondContact O-N 3.08Å; L50-T54 PolarHBondContact O-OG1 2.89Å; L51-T54 WeakPolarHBondContact O-CB 3.22Å; L51-T54 PolarHBondContact O-N 3.44Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 3.37Å; T54-C57 WeakPolarHBondContact O-CB 3.35Å; T54-C57 PolarHBondContact O-N 3.25Å; T54-A58 PolarHBondContact O-N 2.83Å; T54-I66 HydrophobicContact CG2-CB 4.32Å; T54-I66 HydrophobicContact CG2-CG1 4.25Å; T54-I66 HydrophobicContact CG2-CG2 3.31Å; T54-D70 HydrophobicContact CG2-CB 3.63Å; T54-I71 HydrophobicContact CG2-CB 4.47Å; T54-I71 HydrophobicContact CG2-CG1 3.52Å
55V95.2Very high94.4Very high59 Ų5979.8 Ų79.836%0.35842%0.42SS..Hα-helixtrans-64-44.3174.3167.40000110.3L51 E52 D53 C57 A58 I59 I66L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-V55 VanDerWaalsContact O-CG2 3.25Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.14Å; E52-V55 WeakPolarHBondContact O-CB 3.47Å; E52-V55 PolarHBondContact O-N 2.64Å; D53-V55 VanDerWaalsContact C-N 3.32Å; D53-V55 PolarHBondContact O-N 3.44Å; V55-C57 VanDerWaalsContact C-N 3.31Å; V55-C57 PolarHBondContact O-N 2.96Å; V55-A58 PolarHBondContact O-N 3.22Å; V55-A58 VanDerWaalsContact O-N 3.13Å; V55-I59 HydrophobicContact CG1-CD1 3.7Å; V55-I59 HydrophobicContact CG1-CG1 4.34Å; V55-I59 WeakPolarHBondContact O-CG1 3.36Å; V55-I59 PolarHBondContact O-N 3.31Å; V55-I66 HydrophobicContact CG2-CD1 3.64Å; V55-I66 HydrophobicContact CG2-CG1 4.16Å
56L94.9Very high94.4Very high109 Ų10979.8 Ų79.857%0.57141%0.411SS*.Hα-helixtrans-59.8-40.9175.3-67.5176.1000111.9E52 D53 I59 H60E52-L56 WeakPolarHBondContact O-CG 3.34Å; E52-L56 PolarHBondContact O-N 3.4Å; D53-L56 PolarHBondContact O-N 3.05Å; L56-I59 PolarHBondContact O-N 2.82Å; L56-H60 WeakPolarHBondContact O-CB 3.43Å; L56-H60 PolarHBondContact O-N 3.38Å
57C93.8Very high94.4Very high17 Ų1778.3 Ų78.312%0.11541%0.408CS..Hα-helixtrans-63.8-39174.6-69.30000112.5D53 T54 V55 A61 D70 L73D53-C57 PolarHBondContact O-N 3.14Å; D53-C57 PolarHBondContact O-SG 3.49Å; T54-C57 WeakPolarHBondContact O-CB 3.35Å; T54-C57 PolarHBondContact O-N 3.25Å; V55-C57 VanDerWaalsContact C-N 3.31Å; V55-C57 PolarHBondContact O-N 2.96Å; C57-A61 PolarHBondContact O-N 2.96Å; C57-D70 HydrophobicContact CB-CB 4.09Å; C57-L73 HydrophobicContact CB-CD2 4.28Å
58A95.4Very high94.4Very high2 Ų276.9 Ų76.92%0.01741%0.413CS..Hα-helixtrans-66.3-45.6175.800000111.6T54 V55 H60 A61 R62 R63T54-A58 PolarHBondContact O-N 2.83Å; V55-A58 PolarHBondContact O-N 3.22Å; V55-A58 VanDerWaalsContact O-N 3.13Å; A58-H60 VanDerWaalsContact C-N 3.34Å; A58-H60 PolarHBondContact O-N 3.49Å; A58-A61 CarbonylContact O-C 3.49Å; A58-A61 PolarHBondContact O-N 3.27Å; A58-A61 VanDerWaalsContact O-N 3.11Å; A58-R62 PolarHBondContact O-N 3.22Å; A58-R63 CarbonylContact C-O 3.15Å; A58-R63 PolarHBondContact O-N 3.44Å
59I96.1Very high94.3Very high105 Ų10578.6 Ų78.654%0.53841%0.413SS..Hα-helixtrans-61.8-42.3177.1-68.1168.9000110.6V55 L56 A61 R62 R63V55-I59 HydrophobicContact CG1-CD1 3.7Å; V55-I59 HydrophobicContact CG1-CG1 4.34Å; V55-I59 WeakPolarHBondContact O-CG1 3.36Å; V55-I59 PolarHBondContact O-N 3.31Å; L56-I59 PolarHBondContact O-N 2.82Å; I59-A61 PolarHBondContact O-N 3.22Å; I59-R62 WeakPolarHBondContact O-CA 3.25Å; I59-R62 PolarHBondContact O-N 3.29Å; I59-R63 PolarHBondContact N-O 3.03Å
60H94.5Very high94.4Very high163 Ų16377.6 Ų77.676%0.75540%0.402SS*.Hα-helixtrans-56.8-37.4175.3-178.278.4000112.1L56 A58 R62L56-H60 WeakPolarHBondContact O-CB 3.43Å; L56-H60 PolarHBondContact O-N 3.38Å; A58-H60 VanDerWaalsContact C-N 3.34Å; A58-H60 PolarHBondContact O-N 3.49Å; H60-R62 PolarHBondContact O-N 2.92Å
61A94.9Very high94.4Very high46 Ų4679.3 Ų79.338%0.3841%0.411SS..THydrogen-bonded Turntrans-84.113.2175.600000114.2C57 A58 I59 R63C57-A61 PolarHBondContact O-N 2.96Å; A58-A61 CarbonylContact O-C 3.49Å; A58-A61 PolarHBondContact O-N 3.27Å; A58-A61 VanDerWaalsContact O-N 3.11Å; I59-A61 PolarHBondContact O-N 3.22Å; A61-R63 VanDerWaalsContact C-N 3.28Å; A61-R63 VanDerWaalsContact CB-NH2 3.26Å; A61-R63 PolarHBondContact O-N 3Å
62R94.6Very high94.3Very high234 Ų23481.3 Ų81.388%0.88342%0.419SS*.THydrogen-bonded Turntrans54.838.5-175.1-62.8-175.6-71.5-95.40113.6A58 I59 H60A58-R62 PolarHBondContact O-N 3.22Å; I59-R62 WeakPolarHBondContact O-CA 3.25Å; I59-R62 PolarHBondContact O-N 3.29Å; H60-R62 PolarHBondContact O-N 2.92Å
63R94.8Very high94.2Very high55 Ų5579.3 Ų79.321%0.20841%0.411CS..  trans-121.5148.5175.9-68.7177.8-71.3103.4-6.7110.3A58 I59 A61 T65 M67 D70A58-R63 CarbonylContact C-O 3.15Å; A58-R63 PolarHBondContact O-N 3.44Å; I59-R63 PolarHBondContact N-O 3.03Å; A61-R63 VanDerWaalsContact C-N 3.28Å; A61-R63 VanDerWaalsContact CB-NH2 3.26Å; A61-R63 PolarHBondContact O-N 3Å; R63-T65 PolarHBondContact NH1-O 3.3Å; R63-T65 VanDerWaalsContact NH1-O 3.07Å; R63-M67 VanDerWaalsContact NE-CE 3.29Å; R63-D70 IonicContact CZ-OD1 3.57Å; R63-D70 IonicContact CZ-OD2 3.52Å; R63-D70 IonicContact NH1-OD1 3.54Å; R63-D70 IonicContact NH1-OD2 2.72Å; R63-D70 PolarHBondContact NH1-OD2 3.02Å; R63-D70 IonicContact NH2-OD1 2.67Å; R63-D70 PolarHBondContact NH2-OD1 2.67Å; R63-D70 IonicContact NH2-OD2 3.41Å; R63-D70 PolarHBondContact NH2-OD2 3.27Å
64V91.9Very high94.1Very high144 Ų14476.9 Ų76.987%0.87340%0.398SS*.SBendtrans-98.4-19.7171.3-64.10000112.3
65T94.9Very high93.9Very high97 Ų9780.6 Ų80.660%0.59541%0.413SS*.SBendtrans-90.6124.3178.9-49.70000110.5R63R63-T65 PolarHBondContact NH1-O 3.3Å; R63-T65 VanDerWaalsContact NH1-O 3.07Å
66I93.9Very high93.8Very high67 Ų6787.1 Ų87.134%0.34443%0.431SS..  trans-69.4135171.9-64.9169.4000109.7L51 T54 V55 I71L51-I66 HydrophobicContact CD2-CD1 4.44Å; T54-I66 HydrophobicContact CG2-CB 4.32Å; T54-I66 HydrophobicContact CG2-CG1 4.25Å; T54-I66 HydrophobicContact CG2-CG2 3.31Å; V55-I66 HydrophobicContact CG2-CD1 3.64Å; V55-I66 HydrophobicContact CG2-CG1 4.16Å; I66-I71 HydrophobicContact CG2-CG1 4.49Å
67M93.8Very high93.5Very high71 Ų7187.7 Ų87.735%0.3543%0.433SS..  trans-122.5159172.7-73-176.8-85.200111.3R63 K69 D70 I71R63-M67 VanDerWaalsContact NE-CE 3.29Å; M67-K69 HydrophobicContact CB-CG 3.95Å; M67-K69 PolarHBondContact O-N 2.92Å; M67-D70 PolarHBondContact N-OD2 2.82Å; M67-D70 WeakPolarHBondContact O-CB 3.45Å; M67-D70 PolarHBondContact O-N 3.37Å; M67-I71 PolarHBondContact O-N 3.39Å
68A93.7Very high93.2Very high72 Ų7292 Ų9260%0.59545%0.451SS*.Hα-helixtrans-54.4-31.2177.200000113.5D70 I71 Q72A68-D70 VanDerWaalsContact C-N 3.3Å; A68-D70 PolarHBondContact O-N 3.13Å; A68-I71 PolarHBondContact O-N 3.49Å; A68-Q72 WeakPolarHBondContact O-CG 3.43Å; A68-Q72 PolarHBondContact O-N 3.43Å
69K93.1Very high92.8Very high114 Ų11494.3 Ų94.350%0.49648%0.475SS..Hα-helixtrans-65.7-29.3175.266.3177.4177.8-175.80113.7M67 L73M67-K69 HydrophobicContact CB-CG 3.95Å; M67-K69 PolarHBondContact O-N 2.92Å; K69-L73 WeakPolarHBondContact O-CB 3.41Å; K69-L73 PolarHBondContact O-N 2.88Å
70D94.4Very high91.9Very high5 Ų592.7 Ų92.73%0.02747%0.466CS..Hα-helixtrans-73.3-39.5179-57.3-39.1000109.7T54 C57 R63 M67 A68 L73 A74T54-D70 HydrophobicContact CG2-CB 3.63Å; C57-D70 HydrophobicContact CB-CB 4.09Å; R63-D70 IonicContact CZ-OD1 3.57Å; R63-D70 IonicContact CZ-OD2 3.52Å; R63-D70 IonicContact NH1-OD1 3.54Å; R63-D70 IonicContact NH1-OD2 2.72Å; R63-D70 PolarHBondContact NH1-OD2 3.02Å; R63-D70 IonicContact NH2-OD1 2.67Å; R63-D70 PolarHBondContact NH2-OD1 2.67Å; R63-D70 IonicContact NH2-OD2 3.41Å; R63-D70 PolarHBondContact NH2-OD2 3.27Å; M67-D70 PolarHBondContact N-OD2 2.82Å; M67-D70 WeakPolarHBondContact O-CB 3.45Å; M67-D70 PolarHBondContact O-N 3.37Å; A68-D70 VanDerWaalsContact C-N 3.3Å; A68-D70 PolarHBondContact O-N 3.13Å; D70-L73 PolarHBondContact O-N 3.07Å; D70-A74 WeakPolarHBondContact O-CB 3.35Å; D70-A74 PolarHBondContact O-N 3.34Å
71I93Very high90.6Very high57 Ų5796.2 Ų96.229%0.29247%0.472SS..Hα-helixtrans-64-44.9173.4-59.4172.3000110.1L50 T54 I66 M67 A68 L73 A74 R75L50-I71 HydrophobicContact CD1-CG2 4.49Å; L50-I71 HydrophobicContact CD2-CG2 4.13Å; L50-I71 HydrophobicContact CG-CG2 4.47Å; T54-I71 HydrophobicContact CG2-CB 4.47Å; T54-I71 HydrophobicContact CG2-CG1 3.52Å; I66-I71 HydrophobicContact CG2-CG1 4.49Å; M67-I71 PolarHBondContact O-N 3.39Å; A68-I71 PolarHBondContact O-N 3.49Å; I71-L73 VanDerWaalsContact C-N 3.27Å; I71-L73 PolarHBondContact O-N 3.39Å; I71-A74 PolarHBondContact O-N 2.87Å; I71-R75 HydrophobicContact CG2-CG 4.38Å; I71-R75 WeakPolarHBondContact O-CB 3.5Å; I71-R75 WeakPolarHBondContact O-CG 3.41Å; I71-R75 PolarHBondContact O-N 3.13Å
72Q92.8Very high88.8Confident114 Ų114100.8 Ų100.853%0.53351%0.51SS..Hα-helixtrans-60-39.2175.6-72.4175.5-6.500111.9A68 R76A68-Q72 WeakPolarHBondContact O-CG 3.43Å; A68-Q72 PolarHBondContact O-N 3.43Å; Q72-R76 WeakPolarHBondContact O-CB 3.33Å; Q72-R76 WeakPolarHBondContact O-CD 3.46Å; Q72-R76 WeakPolarHBondContact O-CG 3.25Å; Q72-R76 PolarHBondContact O-N 3.23Å; Q72-R76 VanDerWaalsContact O-N 3.08Å
73L92.5Very high88.5Confident82 Ų8294.2 Ų94.243%0.42949%0.491SS..Hα-helixtrans-67.4-48175.6-178.360.1000111.3C57 K69 D70 I71 R75 R76 I77C57-L73 HydrophobicContact CB-CD2 4.28Å; K69-L73 WeakPolarHBondContact O-CB 3.41Å; K69-L73 PolarHBondContact O-N 2.88Å; D70-L73 PolarHBondContact O-N 3.07Å; I71-L73 VanDerWaalsContact C-N 3.27Å; I71-L73 PolarHBondContact O-N 3.39Å; L73-R75 PolarHBondContact O-N 2.97Å; L73-R76 WeakPolarHBondContact O-CB 3.47Å; L73-R76 PolarHBondContact O-N 2.89Å; L73-R76 VanDerWaalsContact O-N 3.14Å; L73-I77 HydrophobicContact CD1-CD1 4.25Å; L73-I77 HydrophobicContact CD1-CG1 4.42Å; L73-I77 HydrophobicContact CG-CD1 3.99Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 2.72Å
74A92.4Very high88.2Confident1 Ų196.2 Ų96.21%0.00851%0.506CS..Hα-helixtrans-57.2-47.4177.500000111.7L50 D53 D70 I71 R76 I77 H78L50-A74 HydrophobicContact CD1-CB 4Å; D53-A74 HydrophobicContact CB-CB 3.92Å; D70-A74 WeakPolarHBondContact O-CB 3.35Å; D70-A74 PolarHBondContact O-N 3.34Å; I71-A74 PolarHBondContact O-N 2.87Å; A74-R76 VanDerWaalsContact C-N 3.33Å; A74-R76 PolarHBondContact O-N 3.4Å; A74-I77 WeakPolarHBondContact O-CB 3.33Å; A74-I77 PolarHBondContact O-N 2.93Å; A74-I77 VanDerWaalsContact O-N 3.14Å; A74-H78 PolarHBondContact O-CD2 2.67Å; A74-H78 PolarHBondContact O-N 3.07Å
75R92.1Very high88Confident79 Ų7993.6 Ų93.630%0.29849%0.486SS..Hα-helixtrans-62-38.5175.5-69.2-175.967.2-156-5.7112.9L50 I71 L73 I77 H78 G79 E80L50-R75 HydrophobicContact CD1-CG 3.66Å; L50-R75 HydrophobicContact CD2-CG 4.32Å; I71-R75 HydrophobicContact CG2-CG 4.38Å; I71-R75 WeakPolarHBondContact O-CB 3.5Å; I71-R75 WeakPolarHBondContact O-CG 3.41Å; I71-R75 PolarHBondContact O-N 3.13Å; L73-R75 PolarHBondContact O-N 2.97Å; R75-I77 VanDerWaalsContact C-N 3.34Å; R75-H78 PolarHBondContact O-N 3.35Å; R75-G79 PolarHBondContact O-N 2.9Å; R75-G79 VanDerWaalsContact O-N 3.17Å; R75-E80 HydrophobicContact CB-CB 4.46Å; R75-E80 PolarHBondContact O-N 2.92Å
76R91.9Very high87.6Confident195 Ų19593.4 Ų93.474%0.73648%0.48SS*.Hα-helixtrans-64.7-37.7174.7-77.1170.8-177.1-170.92.5112.1Q72 L73 A74 G79Q72-R76 WeakPolarHBondContact O-CB 3.33Å; Q72-R76 WeakPolarHBondContact O-CD 3.46Å; Q72-R76 WeakPolarHBondContact O-CG 3.25Å; Q72-R76 PolarHBondContact O-N 3.23Å; Q72-R76 VanDerWaalsContact O-N 3.08Å; L73-R76 WeakPolarHBondContact O-CB 3.47Å; L73-R76 PolarHBondContact O-N 2.89Å; L73-R76 VanDerWaalsContact O-N 3.14Å; A74-R76 VanDerWaalsContact C-N 3.33Å; A74-R76 PolarHBondContact O-N 3.4Å; R76-G79 PolarHBondContact O-N 3.41Å
77I89.7Confident87.2Confident121 Ų12195 Ų9562%0.62149%0.488SS*.Hα-helixtrans-66.6-41.5176.7-68.3166.7000110.4L73 A74 R75 G79L73-I77 HydrophobicContact CD1-CD1 4.25Å; L73-I77 HydrophobicContact CD1-CG1 4.42Å; L73-I77 HydrophobicContact CG-CD1 3.99Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 2.72Å; A74-I77 WeakPolarHBondContact O-CB 3.33Å; A74-I77 PolarHBondContact O-N 2.93Å; A74-I77 VanDerWaalsContact O-N 3.14Å; R75-I77 VanDerWaalsContact C-N 3.34Å; I77-G79 PolarHBondContact O-N 3.26Å
78H87.6Confident86.7Confident107 Ų10796.6 Ų96.650%0.49550%0.497SS..THydrogen-bonded Turntrans-68.3-10.9173.5-83.5-74.4000114.4D53 A74 R75 E80D53-H78 IonicContact OD2-CD2 3.61Å; D53-H78 IonicContact OD2-CE1 3.59Å; D53-H78 IonicContact OD2-NE2 2.64Å; D53-H78 PolarHBondContact OD2-NE2 3.47Å; A74-H78 PolarHBondContact O-CD2 2.67Å; A74-H78 PolarHBondContact O-N 3.07Å; R75-H78 PolarHBondContact O-N 3.35Å; H78-E80 HydrophobicContact CB-CG 3.98Å; H78-E80 PolarHBondContact O-N 3.36Å
79G86.8Confident86.2Confident51 Ų5198.4 Ų98.453%0.52649%0.49SS..THydrogen-bonded Turntrans73.611-174.800000113.6R75 R76 I77 R81R75-G79 PolarHBondContact O-N 2.9Å; R75-G79 VanDerWaalsContact O-N 3.17Å; R76-G79 PolarHBondContact O-N 3.41Å; I77-G79 PolarHBondContact O-N 3.26Å; G79-R81 PolarHBondContact O-N 3.37Å
80E76.8Confident85.7Confident72 Ų7297.2 Ų97.234%0.33649%0.49SS..  trans-76.391.1177.1-67.9-172.2146.500110Y46 R75 H78 A82Y46-E80 VanDerWaalsContact CE2-OE1 3.31Å; Y46-E80 WeakPolarHBondContact CE2-OE1 3.33Å; Y46-E80 PolarHBondContact OH-OE2 3.44Å; R75-E80 HydrophobicContact CB-CB 4.46Å; R75-E80 PolarHBondContact O-N 2.92Å; H78-E80 HydrophobicContact CB-CG 3.98Å; H78-E80 PolarHBondContact O-N 3.36Å; E80-A82 PolarHBondContact O-N 3.11Å
81R67.3Low85Confident237 Ų237104.8 Ų104.889%0.89453%0.529SS*.  trans-72.3119.8172.6-58.9-179-169.4-176.92.5108.3G79G79-R81 PolarHBondContact O-N 3.37Å
82A56.7Low84.2Confident142 Ų142109.2 Ų109.2100%1.17455%0.55SS**  trans-67.10157.100000109.5E80E80-A82 PolarHBondContact O-N 3.11Å

Retrieved 82 of 82 residues in 80.5 ms (Link to these results)