A0A5K4FCN6_SCHMA Loading...

Oligosaccharyltransferase complex subunit

Specific component of the STT3A-containing form of the oligosaccharyl transferase (OST) complex that catalyzes the initial transfer of a defined glycan (Glc(3)Man(9)GlcNAc(2) in eukaryotes) from the lipid carrier dolichol-pyrophosphate to an asparagine residue within an Asn-X-Ser/Thr consensus motif in nascent polypeptide chains, the first step in protein N-glycosylation. N-glycosylation occurs cotranslationally and the complex associates with the Sec61 complex at the channel-forming translocon complex that mediates protein translocation across the endoplasmic reticulum (ER). All subunits are required for a maximal enzyme activity.

AlphaFold DB , UniProt , Accession A0A5K4FCN6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 97 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
1M37.6Very low59.2Low228 Ų22898.6 Ų98.6100%1.12357%0.568SS**  0113.60-174.8176-174.300107V3M1-V3 PolarHBondContact O-N 3.26Å; M1-V3 VanDerWaalsContact O-N 3.09Å
2I47.8Very low59.8Low168 Ų16899.3 Ų99.386%0.86258%0.575SS**  trans-68.5108.5170.7-64.1167.3000105G4I2-G4 PolarHBondContact O-N 3.46Å
3V55Low60.2Low129 Ų12998.2 Ų98.278%0.78257%0.566SS**  trans-67.9106172.1-179.30000105.3M1M1-V3 PolarHBondContact O-N 3.26Å; M1-V3 VanDerWaalsContact O-N 3.09Å
4G59.8Low60.9Low44 Ų4498.8 Ų98.845%0.45459%0.588SS.*PPolyproline II helixtrans-56.7150.3176.700000110.2I2I2-G4 PolarHBondContact O-N 3.46Å
5P63.2Low61.7Low76 Ų76106.5 Ų106.549%0.49460%0.603SS.*PPolyproline II helixtrans-57.2134.817525.6-32.8000108.5I33P5-I33 HydrophobicContact CG-CG1 4.28Å
6P65.9Low62.1Low75 Ų75103 Ų10349%0.48760%0.598SS.*PPolyproline II helixtrans-59.5146.7179.527.1-35000109.7M8 Y32P6-M8 PolarHBondContact O-N 2.75Å; P6-Y32 HydrophobicContact CG-CD1 4Å; P6-Y32 HydrophobicContact CG-CE1 3.76Å; P6-Y32 WeakPolarHBondContact O-CD1 3.38Å
7S64.2Low63Low68 Ų68102.9 Ų102.948%0.47660%0.595SS.*SBendtrans-64.5-33-178.953.20000112.2L34S7-L34 WeakPolarHBondContact O-CG 3.31Å
8M61.4Low63.5Low90 Ų90105 Ų10544%0.44360%0.598SS.*SBendtrans-141.7145.9173-70.4-174.6-7200109.1P6 P20 L34P6-M8 PolarHBondContact O-N 2.75Å; M8-P20 HydrophobicContact SD-CB 4.35Å; M8-L34 HydrophobicContact CE-CD1 4.41Å; M8-L34 HydrophobicContact CG-CD1 3.26Å; M8-L34 HydrophobicContact CG-CG 4.25Å; M8-L34 HydrophobicContact SD-CD1 3.51Å; M8-L34 VanDerWaalsContact SD-CD1 3.51Å
9G64.1Low63.8Low7 Ų7105.7 Ų105.77%0.07259%0.594CS.*EExtended strand (participates in β ladder)trans-79.6165.7165.600000111.6P20 V21 Y32G9-P20 WeakPolarHBondContact O-CA 3.43Å; G9-V21 PolarHBondContact N-O 2.94Å; G9-V21 PolarHBondContact O-N 2.97Å; G9-Y32 WeakPolarHBondContact CA-OH 3.38Å
10T66.1Low64Low85 Ų85104.6 Ų104.652%0.52159%0.591SS.*EExtended strand (participates in β ladder)trans-122.3130.5164.450.70000108.6Q18 K19T10-Q18 HydrophobicContact CG2-CB 4.25Å; T10-Q18 PolarHBondContact OG1-OE1 3.39Å; T10-K19 WeakPolarHBondContact CA-O 3.48Å
11E65.9Low64.1Low115 Ų115100.4 Ų100.454%0.53757%0.568SS.*EExtended strand (participates in β ladder)trans-106.7136.8166.7-78.2-175.7144.100108.5D13 K19 V21E11-D13 PolarHBondContact O-N 3.21Å; E11-K19 PolarHBondContact N-O 3.45Å; E11-K19 PolarHBondContact O-N 3.48Å; E11-V21 HydrophobicContact CB-CG2 3.71Å; E11-V21 HydrophobicContact CG-CB 4.45Å; E11-V21 HydrophobicContact CG-CG2 3.62Å; E11-V21 WeakPolarHBondContact OE2-CG2 3.15Å
12T66.9Low65.5Low106 Ų10691.9 Ų91.965%0.6553%0.533SS*.EExtended strand (participates in β ladder)trans-79.5113.4175.1-45.90000108.4
13D64.5Low66.4Low86 Ų8686 Ų8646%0.4650%0.503SS..  trans-66.1162.5171.8-169.914.4000110.1E11 R15 G16 N17E11-D13 PolarHBondContact O-N 3.21Å; D13-R15 PolarHBondContact O-N 3.1Å; D13-G16 PolarHBondContact O-N 3.3Å; D13-N17 PolarHBondContact N-O 3.49Å
14A70.3Confident67Low106 Ų10681.3 Ų81.388%0.87647%0.473SS*.THydrogen-bonded Turntrans-57-17.7-177.200000114
15R72.2Confident67.5Low214 Ų21481.8 Ų81.881%0.80847%0.467SS*.THydrogen-bonded Turntrans-90.84175.6-71.4-179.8156.1-165.9-6.2114.6D13 N17D13-R15 PolarHBondContact O-N 3.1Å; R15-N17 VanDerWaalsContact C-N 3.28Å; R15-N17 PolarHBondContact O-N 3.3Å
16G69.6Low67.6Low51 Ų5186 Ų8653%0.52647%0.474SS..SBendtrans81.60.3-176.800000114.6D13D13-G16 PolarHBondContact O-N 3.3Å
17N76.7Confident67.8Low101 Ų10189.6 Ų89.654%0.5448%0.477SS..  trans-77.8135.4179.1-64.4-46.3000110.5D13 R15 K19D13-N17 PolarHBondContact N-O 3.49Å; R15-N17 VanDerWaalsContact C-N 3.28Å; R15-N17 PolarHBondContact O-N 3.3Å; N17-K19 PolarHBondContact O-N 2.99Å
18Q71.2Confident68Low141 Ų14191.9 Ų91.966%0.65948%0.484SS*.EExtended strand (participates in β ladder)trans-75.2114.2172.1-66.2-172.261.800109.5T10T10-Q18 HydrophobicContact CG2-CB 4.25Å; T10-Q18 PolarHBondContact OG1-OE1 3.39Å
19K70.2Confident68.6Low119 Ų11995.6 Ų95.652%0.51751%0.505SS..EExtended strand (participates in β ladder)trans-95.8126.2172.4179.6169.4173.5-75.50108.9T10 E11 N17 V21T10-K19 WeakPolarHBondContact CA-O 3.48Å; E11-K19 PolarHBondContact N-O 3.45Å; E11-K19 PolarHBondContact O-N 3.48Å; N17-K19 PolarHBondContact O-N 2.99Å; K19-V21 PolarHBondContact O-N 3.42Å
20P68.4Low68.8Low82 Ų8297.8 Ų97.853%0.53252%0.519SS..EExtended strand (participates in β ladder)trans-64.7133.1174.227-33.2000109.8M8 G9M8-P20 HydrophobicContact SD-CB 4.35Å; G9-P20 WeakPolarHBondContact O-CA 3.43Å
21V65Low69Low18 Ų1897.5 Ų97.511%0.10951%0.512CS..EExtended strand (participates in β ladder)trans-122107.6178.3179.10000107.9G9 E11 K19 I23G9-V21 PolarHBondContact N-O 2.94Å; G9-V21 PolarHBondContact O-N 2.97Å; E11-V21 HydrophobicContact CB-CG2 3.71Å; E11-V21 HydrophobicContact CG-CB 4.45Å; E11-V21 HydrophobicContact CG-CG2 3.62Å; E11-V21 WeakPolarHBondContact OE2-CG2 3.15Å; K19-V21 PolarHBondContact O-N 3.42Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 WeakPolarHBondContact CG1-O 3.3Å
22A67.5Low69.6Low48 Ų4893.5 Ų93.540%0.39749%0.492SS..  trans-81.1-11.1-177.600000113.4E35A22-E35 WeakPolarHBondContact O-CB 3.31Å
23I66.9Low70.1Confident44 Ų4492.6 Ų92.623%0.22648%0.483CS..SBendtrans-125.9126.6-175.2-56.2179.1000109.5V21 V25 E35 F87 T90V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 WeakPolarHBondContact CG1-O 3.3Å; I23-V25 PolarHBondContact O-N 3.31Å; I23-E35 HydrophobicContact CB-CG 4.49Å; I23-E35 HydrophobicContact CG1-CG 4.33Å; I23-E35 HydrophobicContact CG2-CG 4.32Å; I23-F87 HydrophobicContact CD1-CD2 4.18Å; I23-T90 WeakPolarHBondContact CD1-OG1 3.22Å
24M67Low70.9Confident31 Ų3191.9 Ų91.915%0.15348%0.478CS..  trans-83.999.7177.5-156.4175.6-150.900110R27 S30 Y32 E35M24-R27 HydrophobicContact CG-CB 4.09Å; M24-R27 HydrophobicContact SD-CB 3.91Å; M24-R27 HydrophobicContact SD-CG 4.34Å; M24-S30 WeakPolarHBondContact SD-CB 3.48Å; M24-Y32 HydrophobicContact CB-CD2 3.87Å; M24-Y32 HydrophobicContact CB-CE2 3.57Å; M24-Y32 HydrophobicContact CG-CE2 3.97Å; M24-E35 PolarHBondContact N-OE2 2.89Å
25V70.8Confident71.5Confident55 Ų5587 Ų8733%0.33344%0.437SS..THydrogen-bonded Turntrans-67.6143.6178.9-165.90000109.9I23 R27 T90I23-V25 PolarHBondContact O-N 3.31Å; V25-R27 PolarHBondContact O-N 3Å; V25-T90 WeakPolarHBondContact CG1-O 3.45Å
26W65.9Low72Confident164 Ų16477.6 Ų77.662%0.62141%0.408SS*.THydrogen-bonded Turntrans68.4-9.2174.5-51111000117.4K91 P93W26-K91 PolarHBondContact N-O 3.31Å; W26-K91 VanDerWaalsContact N-O 3.09Å; W26-P93 HydrophobicContact CH2-CG 3.34Å; W26-P93 HydrophobicContact CZ2-CG 3.25Å; W26-P93 HydrophobicContact CZ3-CG 4.02Å
27R68.2Low72.9Confident150 Ų15080 Ų8057%0.56641%0.408SS*.  trans-107104.8176.8-67.4-175.2-176.6-173.33.2110.5M24 V25 K91M24-R27 HydrophobicContact CG-CB 4.09Å; M24-R27 HydrophobicContact SD-CB 3.91Å; M24-R27 HydrophobicContact SD-CG 4.34Å; V25-R27 PolarHBondContact O-N 3Å; R27-K91 WeakPolarHBondContact O-CE 3.35Å
28L69Low73.4Confident117 Ų11777.5 Ų77.561%0.61340%0.401SS*.SBendtrans-76.9-32.7179.2-79.2160.6000113.5K91 L92L28-K91 HydrophobicContact CD2-CD 4.48Å; L28-L92 HydrophobicContact CD1-CD1 4.4Å; L28-L92 HydrophobicContact CD1-CD2 4.05Å; L28-L92 HydrophobicContact CD2-CD1 3.9Å; L28-L92 HydrophobicContact CD2-CG 4.32Å; L28-L92 HydrophobicContact CG-CD2 4.32Å
29N74.7Confident74.1Confident168 Ų16871.3 Ų71.390%0.89837%0.374SS*.SBendtrans-86.8-15.5-176-157.6-74.4000112.9
30S68.3Low75.1Confident52 Ų5268.5 Ų68.536%0.36437%0.37SS..  trans-111.9138.2177.9-55.80000109.7M24M24-S30 WeakPolarHBondContact SD-CB 3.48Å
31Q71Confident76.1Confident79 Ų7970.3 Ų70.337%0.36937%0.369SS..  trans-141137-177.7-176.7165.355.900109.2E35 G36Q31-E35 HydrophobicContact CG-CB 3.74Å; Q31-E35 HydrophobicContact CG-CG 4.08Å; Q31-E35 PolarHBondContact NE2-OE1 2.91Å; Q31-G36 VanDerWaalsContact CD-CA 3.46Å
32Y77.5Confident77.4Confident31 Ų3171.3 Ų71.312%0.12237%0.373CS..  trans-72.3146.4168.4-61.6-56.3000109.7P6 G9 M24 L34 E35 G36P6-Y32 HydrophobicContact CG-CD1 4Å; P6-Y32 HydrophobicContact CG-CE1 3.76Å; P6-Y32 WeakPolarHBondContact O-CD1 3.38Å; G9-Y32 WeakPolarHBondContact CA-OH 3.38Å; M24-Y32 HydrophobicContact CB-CD2 3.87Å; M24-Y32 HydrophobicContact CB-CE2 3.57Å; M24-Y32 HydrophobicContact CG-CE2 3.97Å; Y32-L34 PolarHBondContact O-N 2.88Å; Y32-E35 WeakPolarHBondContact O-CA 3.32Å; Y32-E35 WeakPolarHBondContact O-CB 3.49Å; Y32-E35 PolarHBondContact O-N 3.06Å; Y32-G36 PolarHBondContact O-N 3.14Å; Y32-G36 VanDerWaalsContact O-N 3.13Å
33I76.9Confident78.5Confident88 Ų8875.3 Ų75.345%0.45138%0.382SS..Hα-helixtrans-57.1-41.5-177.3-62.6169.2000111.1P5 E35 G36 L37P5-I33 HydrophobicContact CG-CG1 4.28Å; I33-E35 VanDerWaalsContact C-N 3.3Å; I33-E35 PolarHBondContact O-N 3.18Å; I33-G36 PolarHBondContact O-N 3.19Å; I33-L37 HydrophobicContact CG2-CD1 3.92Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CB 3.45Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 3.38Å
34L81Confident79.7Confident70 Ų7078.1 Ų78.137%0.36640%0.401SS..Hα-helixtrans-64.4-34.1176.8-71.1-175.1000113.1S7 M8 Y32 A38S7-L34 WeakPolarHBondContact O-CG 3.31Å; M8-L34 HydrophobicContact CE-CD1 4.41Å; M8-L34 HydrophobicContact CG-CD1 3.26Å; M8-L34 HydrophobicContact CG-CG 4.25Å; M8-L34 HydrophobicContact SD-CD1 3.51Å; M8-L34 VanDerWaalsContact SD-CD1 3.51Å; Y32-L34 PolarHBondContact O-N 2.88Å; L34-A38 VanDerWaalsContact O-CB 3.22Å; L34-A38 WeakPolarHBondContact O-CB 3.11Å; L34-A38 PolarHBondContact O-N 3.14Å
35E82.7Confident80.9Confident3 Ų379.2 Ų79.21%0.01441%0.406CS..Hα-helixtrans-63.8-46176.9-164.9-160.1121.800110.5A22 I23 M24 Q31 Y32 I33 A38 A39 F87 K91A22-E35 WeakPolarHBondContact O-CB 3.31Å; I23-E35 HydrophobicContact CB-CG 4.49Å; I23-E35 HydrophobicContact CG1-CG 4.33Å; I23-E35 HydrophobicContact CG2-CG 4.32Å; M24-E35 PolarHBondContact N-OE2 2.89Å; Q31-E35 HydrophobicContact CG-CB 3.74Å; Q31-E35 HydrophobicContact CG-CG 4.08Å; Q31-E35 PolarHBondContact NE2-OE1 2.91Å; Y32-E35 WeakPolarHBondContact O-CA 3.32Å; Y32-E35 WeakPolarHBondContact O-CB 3.49Å; Y32-E35 PolarHBondContact O-N 3.06Å; I33-E35 VanDerWaalsContact C-N 3.3Å; I33-E35 PolarHBondContact O-N 3.18Å; E35-A38 PolarHBondContact O-N 3.49Å; E35-A39 WeakPolarHBondContact O-CB 3.26Å; E35-A39 PolarHBondContact O-N 3.06Å; E35-F87 HydrophobicContact CB-CE2 4.49Å; E35-F87 HydrophobicContact CG-CE2 3.36Å; E35-F87 HydrophobicContact CG-CZ 3.33Å; E35-F87 WeakPolarHBondContact OE1-CZ 3.47Å; E35-K91 WeakPolarHBondContact OE1-CE 3.47Å; E35-K91 IonicContact OE1-NZ 2.75Å; E35-K91 PolarHBondContact OE1-NZ 2.88Å
36G84Confident82Confident18 Ų1876.9 Ų76.919%0.18639%0.393CS..Hα-helixtrans-67.2-42.4176.900000112.9Q31 Y32 I33 A39 S40Q31-G36 VanDerWaalsContact CD-CA 3.46Å; Y32-G36 PolarHBondContact O-N 3.14Å; Y32-G36 VanDerWaalsContact O-N 3.13Å; I33-G36 PolarHBondContact O-N 3.19Å; G36-A39 PolarHBondContact O-N 3.35Å; G36-S40 WeakPolarHBondContact O-CB 3.43Å; G36-S40 PolarHBondContact O-N 3Å; G36-S40 PolarHBondContact O-OG 2.94Å
37L87.8Confident83.3Confident102 Ų10270.7 Ų70.753%0.53438%0.38SS..Hα-helixtrans-61.2-46.1174.7-75.2173.3000111.4I33 A39 S40 F41I33-L37 HydrophobicContact CG2-CD1 3.92Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CB 3.45Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 3.38Å; L37-A39 PolarHBondContact O-N 3.42Å; L37-S40 PolarHBondContact O-N 3.4Å; L37-S40 PolarHBondContact O-OG 3.4Å; L37-F41 WeakPolarHBondContact O-CB 3.34Å; L37-F41 PolarHBondContact O-N 2.88Å
38A86.7Confident84.4Confident47 Ų4769 Ų6939%0.38838%0.377SS..Hα-helixtrans-61.9-44.9176.900000111.8L34 E35 F41 M42L34-A38 VanDerWaalsContact O-CB 3.22Å; L34-A38 WeakPolarHBondContact O-CB 3.11Å; L34-A38 PolarHBondContact O-N 3.14Å; E35-A38 PolarHBondContact O-N 3.49Å; A38-F41 PolarHBondContact O-N 3.48Å; A38-M42 VanDerWaalsContact O-CG 3.27Å; A38-M42 WeakPolarHBondContact O-CG 3.26Å; A38-M42 PolarHBondContact O-N 2.96Å
39A86.9Confident85.5Confident12 Ų1263.4 Ų63.410%0.09935%0.348CS..Hα-helixtrans-62.7-47.8177.700000111.9E35 G36 L37 F41 M42 F43 F87E35-A39 WeakPolarHBondContact O-CB 3.26Å; E35-A39 PolarHBondContact O-N 3.06Å; G36-A39 PolarHBondContact O-N 3.35Å; L37-A39 PolarHBondContact O-N 3.42Å; A39-F41 VanDerWaalsContact C-N 3.34Å; A39-F41 PolarHBondContact O-N 2.93Å; A39-M42 PolarHBondContact O-N 3.2Å; A39-F43 HydrophobicContact CB-CE2 4.47Å; A39-F43 WeakPolarHBondContact O-CD2 3.41Å; A39-F43 PolarHBondContact O-N 3.32Å; A39-F87 HydrophobicContact CB-CE1 4.16Å; A39-F87 HydrophobicContact CB-CE2 4.38Å; A39-F87 HydrophobicContact CB-CZ 3.82Å
40S90.3Very high86.3Confident60 Ų6061.5 Ų61.542%0.4233%0.332SS..Hα-helixtrans-61-41.9178.765.80000112.2G36 L37 M42 F43 V44G36-S40 WeakPolarHBondContact O-CB 3.43Å; G36-S40 PolarHBondContact O-N 3Å; G36-S40 PolarHBondContact O-OG 2.94Å; L37-S40 PolarHBondContact O-N 3.4Å; L37-S40 PolarHBondContact O-OG 3.4Å; S40-M42 VanDerWaalsContact C-N 3.35Å; S40-M42 PolarHBondContact O-N 3.37Å; S40-F43 PolarHBondContact O-N 3.47Å; S40-V44 WeakPolarHBondContact O-CG2 3.36Å; S40-V44 PolarHBondContact O-N 2.98Å
41F90.7Very high87.4Confident119 Ų11963.9 Ų63.952%0.52234%0.34SS..Hα-helixtrans-60.4-43.7175.2179.8-104.7000112L37 A38 A39 V44 M45L37-F41 WeakPolarHBondContact O-CB 3.34Å; L37-F41 PolarHBondContact O-N 2.88Å; A38-F41 PolarHBondContact O-N 3.48Å; A39-F41 VanDerWaalsContact C-N 3.34Å; A39-F41 PolarHBondContact O-N 2.93Å; F41-V44 PolarHBondContact O-N 3.17Å; F41-M45 HydrophobicContact CD1-CE 4.23Å; F41-M45 HydrophobicContact CE1-CE 3.26Å; F41-M45 HydrophobicContact CE1-SD 4.48Å; F41-M45 HydrophobicContact CE2-CE 4.26Å; F41-M45 HydrophobicContact CZ-CE 3.28Å; F41-M45 VanDerWaalsContact O-CB 3.27Å; F41-M45 WeakPolarHBondContact O-CB 3.35Å; F41-M45 PolarHBondContact O-N 3.38Å
42M90.7Very high88.3Confident39 Ų3961 Ų6119%0.19233%0.328CS..Hα-helixtrans-65.5-38.3177.9-68.5-68.3165.300112.4A38 A39 S40 M45 G46 S80 T83 L84A38-M42 VanDerWaalsContact O-CG 3.27Å; A38-M42 WeakPolarHBondContact O-CG 3.26Å; A38-M42 PolarHBondContact O-N 2.96Å; A39-M42 PolarHBondContact O-N 3.2Å; S40-M42 VanDerWaalsContact C-N 3.35Å; S40-M42 PolarHBondContact O-N 3.37Å; M42-M45 PolarHBondContact O-N 2.97Å; M42-G46 PolarHBondContact O-N 3.49Å; M42-S80 WeakPolarHBondContact O-CB 3.3Å; M42-T83 HydrophobicContact CE-CG2 3.73Å; M42-T83 HydrophobicContact CG-CG2 3.97Å; M42-T83 HydrophobicContact SD-CG2 3.74Å; M42-L84 HydrophobicContact CB-CD2 4.15Å; M42-L84 HydrophobicContact CB-CG 4.24Å
43F90.6Very high88.8Confident132 Ų13263 Ų6358%0.57934%0.339SS*.Hα-helixtrans-65-44.9174.2-76.3-61.8000112.5A39 S40 M45 G46 G47 L84A39-F43 HydrophobicContact CB-CE2 4.47Å; A39-F43 WeakPolarHBondContact O-CD2 3.41Å; A39-F43 PolarHBondContact O-N 3.32Å; S40-F43 PolarHBondContact O-N 3.47Å; F43-M45 VanDerWaalsContact C-N 3.33Å; F43-M45 PolarHBondContact O-N 2.9Å; F43-G46 PolarHBondContact O-N 2.89Å; F43-G47 PolarHBondContact O-N 3.44Å; F43-L84 HydrophobicContact CD1-CD1 3.78Å; F43-L84 HydrophobicContact CD1-CD2 4.28Å; F43-L84 HydrophobicContact CD2-CD2 4.27Å; F43-L84 HydrophobicContact CE1-CD1 3.62Å; F43-L84 HydrophobicContact CE1-CD2 3.88Å; F43-L84 HydrophobicContact CE1-CG 4.41Å; F43-L84 HydrophobicContact CE2-CD2 3.86Å; F43-L84 HydrophobicContact CG-CD2 4.45Å; F43-L84 HydrophobicContact CZ-CD1 4.26Å; F43-L84 HydrophobicContact CZ-CD2 3.65Å
44V93.9Very high89.4Confident104 Ų10462.9 Ų62.963%0.6334%0.339SS*.Hα-helixtrans-62.6-43.1176.9172.10000110.6S40 F41 G47 F48S40-V44 WeakPolarHBondContact O-CG2 3.36Å; S40-V44 PolarHBondContact O-N 2.98Å; F41-V44 PolarHBondContact O-N 3.17Å; V44-G47 PolarHBondContact O-N 3Å; V44-F48 VanDerWaalsContact O-CB 3.28Å; V44-F48 WeakPolarHBondContact O-CB 3.4Å; V44-F48 PolarHBondContact O-N 3.29Å
45M92.2Very high89.7Confident53 Ų5364.9 Ų64.926%0.26135%0.345SS..Hα-helixtrans-60.7-46.9176.8-176.4174.2-71.700111.5F41 M42 F43 G47 F48 G49 C76F41-M45 HydrophobicContact CD1-CE 4.23Å; F41-M45 HydrophobicContact CE1-CE 3.26Å; F41-M45 HydrophobicContact CE1-SD 4.48Å; F41-M45 HydrophobicContact CE2-CE 4.26Å; F41-M45 HydrophobicContact CZ-CE 3.28Å; F41-M45 VanDerWaalsContact O-CB 3.27Å; F41-M45 WeakPolarHBondContact O-CB 3.35Å; F41-M45 PolarHBondContact O-N 3.38Å; M42-M45 PolarHBondContact O-N 2.97Å; F43-M45 VanDerWaalsContact C-N 3.33Å; F43-M45 PolarHBondContact O-N 2.9Å; M45-G47 PolarHBondContact O-N 3.5Å; M45-F48 PolarHBondContact O-N 2.83Å; M45-G49 PolarHBondContact O-N 3.47Å; M45-C76 WeakPolarHBondContact CG-SG 3.4Å; M45-C76 PolarHBondContact O-SG 3.37Å
46G92.8Very high89.8Confident6 Ų665 Ų656%0.06235%0.346CS..Hα-helixtrans-59.7-45.5175.800000113M42 F43 G49 F50 S80M42-G46 PolarHBondContact O-N 3.49Å; F43-G46 PolarHBondContact O-N 2.89Å; G46-G49 PolarHBondContact O-N 3.36Å; G46-F50 VanDerWaalsContact O-CD2 3.31Å; G46-F50 WeakPolarHBondContact O-CD2 3.28Å; G46-F50 PolarHBondContact O-N 3.09Å; G46-S80 WeakPolarHBondContact CA-OG 3.45Å
47G92.8Very high89.7Confident34 Ų3470.3 Ų70.335%0.35137%0.37SS..Hα-helixtrans-63.9-40.4175.700000113.1F43 V44 M45 G49 F50 I51F43-G47 PolarHBondContact O-N 3.44Å; V44-G47 PolarHBondContact O-N 3Å; M45-G47 PolarHBondContact O-N 3.5Å; G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 2.97Å; G47-F50 PolarHBondContact O-N 2.89Å; G47-I51 WeakPolarHBondContact O-CG1 3.47Å; G47-I51 PolarHBondContact O-N 3.26Å; G47-I51 VanDerWaalsContact O-N 3.14Å
48F92.5Very high89.3Confident115 Ų11571.2 Ų71.250%0.50437%0.371SS..Hα-helixtrans-60.5-39.7174.4-177.6-99.9000111.7V44 M45 F50 I51 V52V44-F48 VanDerWaalsContact O-CB 3.28Å; V44-F48 WeakPolarHBondContact O-CB 3.4Å; V44-F48 PolarHBondContact O-N 3.29Å; M45-F48 PolarHBondContact O-N 2.83Å; F48-F50 VanDerWaalsContact C-N 3.32Å; F48-F50 PolarHBondContact O-N 3.48Å; F48-I51 PolarHBondContact O-N 2.96Å; F48-V52 HydrophobicContact CD1-CG2 3.95Å; F48-V52 HydrophobicContact CE1-CG2 3.52Å; F48-V52 HydrophobicContact CE2-CG2 4.27Å; F48-V52 HydrophobicContact CG-CG2 4.5Å; F48-V52 HydrophobicContact CZ-CG2 3.7Å; F48-V52 WeakPolarHBondContact O-CG2 3.19Å; F48-V52 PolarHBondContact O-N 3.3Å
49G91.8Very high88.6Confident0 Ų070.7 Ų70.70%037%0.367CS..Hα-helixtrans-57-41.6174.200000113.4M45 G46 G47 M53M45-G49 PolarHBondContact O-N 3.47Å; G46-G49 PolarHBondContact O-N 3.36Å; G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 2.97Å; G49-M53 PolarHBondContact O-N 3.01Å
50F91.2Very high88.1Confident128 Ų12880.1 Ų80.156%0.56141%0.406SS*.Hα-helixtrans-66.5-42175-77.5-73.7000112.7G46 G47 F48 V52 M53 D54 I77G46-F50 VanDerWaalsContact O-CD2 3.31Å; G46-F50 WeakPolarHBondContact O-CD2 3.28Å; G46-F50 PolarHBondContact O-N 3.09Å; G47-F50 PolarHBondContact O-N 2.89Å; F48-F50 VanDerWaalsContact C-N 3.32Å; F48-F50 PolarHBondContact O-N 3.48Å; F50-V52 VanDerWaalsContact C-N 3.35Å; F50-V52 PolarHBondContact O-N 2.71Å; F50-M53 WeakPolarHBondContact O-CB 3.08Å; F50-M53 PolarHBondContact O-N 3.39Å; F50-D54 PolarHBondContact O-N 2.87Å; F50-I77 HydrophobicContact CD1-CD1 3.83Å; F50-I77 HydrophobicContact CD2-CD1 4.13Å; F50-I77 HydrophobicContact CD2-CG1 4.11Å; F50-I77 HydrophobicContact CE1-CD1 3.86Å; F50-I77 HydrophobicContact CE2-CD1 4.15Å; F50-I77 HydrophobicContact CE2-CG1 4.08Å; F50-I77 HydrophobicContact CE2-CG2 4.12Å; F50-I77 HydrophobicContact CG-CD1 3.97Å; F50-I77 HydrophobicContact CG-CG1 4.41Å; F50-I77 HydrophobicContact CZ-CD1 4.02Å; F50-I77 HydrophobicContact CZ-CG1 4.35Å; F50-I77 HydrophobicContact CZ-CG2 4.05Å
51I91.6Very high87.3Confident101 Ų10179.2 Ų79.252%0.51840%0.398SS..Hα-helixtrans-62.9-42.1177.6-65.1165.4000111G47 F48 M53 D54 K55G47-I51 WeakPolarHBondContact O-CG1 3.47Å; G47-I51 PolarHBondContact O-N 3.26Å; G47-I51 VanDerWaalsContact O-N 3.14Å; F48-I51 PolarHBondContact O-N 2.96Å; I51-M53 VanDerWaalsContact C-N 3.32Å; I51-M53 PolarHBondContact O-N 3.33Å; I51-D54 PolarHBondContact O-N 3.41Å; I51-K55 WeakPolarHBondContact O-CG 3.43Å; I51-K55 PolarHBondContact O-N 3.35Å
52V89.7Confident87Confident20 Ų2078.3 Ų78.312%0.12140%0.402CS..Hα-helixtrans-62-43.1175.4172.20000110.3F48 F50 D54 K55 V56 L72F48-V52 HydrophobicContact CD1-CG2 3.95Å; F48-V52 HydrophobicContact CE1-CG2 3.52Å; F48-V52 HydrophobicContact CE2-CG2 4.27Å; F48-V52 HydrophobicContact CG-CG2 4.5Å; F48-V52 HydrophobicContact CZ-CG2 3.7Å; F48-V52 WeakPolarHBondContact O-CG2 3.19Å; F48-V52 PolarHBondContact O-N 3.3Å; F50-V52 VanDerWaalsContact C-N 3.35Å; F50-V52 PolarHBondContact O-N 2.71Å; V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 2.9Å; V52-K55 PolarHBondContact O-N 3.5Å; V52-V56 HydrophobicContact CG1-CG2 4.26Å; V52-V56 WeakPolarHBondContact O-CG2 3.42Å; V52-V56 PolarHBondContact O-N 2.95Å; V52-L72 HydrophobicContact CG1-CD2 4.33Å
53M88.5Confident86.6Confident72 Ų7285.2 Ų85.236%0.35543%0.431SS..Hα-helixtrans-62.6-41.2179.2-161.5171.2-150.900112.4G49 F50 I51 V56 N57 I74 I77G49-M53 PolarHBondContact O-N 3.01Å; F50-M53 WeakPolarHBondContact O-CB 3.08Å; F50-M53 PolarHBondContact O-N 3.39Å; I51-M53 VanDerWaalsContact C-N 3.32Å; I51-M53 PolarHBondContact O-N 3.33Å; M53-V56 PolarHBondContact O-N 2.9Å; M53-N57 PolarHBondContact O-N 2.94Å; M53-I74 HydrophobicContact CE-CD1 3.81Å; M53-I74 HydrophobicContact CE-CG1 3.53Å; M53-I77 HydrophobicContact SD-CD1 4.39Å
54D88.8Confident86.4Confident86 Ų8685.4 Ų85.446%0.4644%0.437SS..Hα-helixtrans-62.6-47.3175.1-174.656.6000111.5F50 I51 V52 V56 N57 E58F50-D54 PolarHBondContact O-N 2.87Å; I51-D54 PolarHBondContact O-N 3.41Å; V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 2.9Å; D54-V56 VanDerWaalsContact C-N 3.29Å; D54-V56 PolarHBondContact O-N 3.29Å; D54-N57 WeakPolarHBondContact O-CB 3.2Å; D54-N57 PolarHBondContact O-N 3.46Å; D54-N57 VanDerWaalsContact O-N 3.1Å; D54-E58 PolarHBondContact O-N 3.46Å
55K86.7Confident86Confident112 Ų11283.7 Ų83.749%0.48743%0.425SS..Hα-helixtrans-63.7-32.7178.3-72.6-70.6153.8-1500113.5I51 V52 N57 E58 A59I51-K55 WeakPolarHBondContact O-CG 3.43Å; I51-K55 PolarHBondContact O-N 3.35Å; V52-K55 PolarHBondContact O-N 3.5Å; K55-N57 VanDerWaalsContact C-N 3.29Å; K55-N57 PolarHBondContact O-N 2.93Å; K55-E58 IonicContact NZ-OE2 2.76Å; K55-E58 PolarHBondContact NZ-OE2 3.47Å; K55-E58 PolarHBondContact O-N 3.27Å; K55-A59 WeakPolarHBondContact O-CB 3.21Å; K55-A59 PolarHBondContact O-N 3.33Å
56V85.4Confident85.7Confident6 Ų685.6 Ų85.64%0.03643%0.429CS..Hα-helixtrans-70.4-28.6177.5176.30000112.1V52 M53 D54 R66 L69 M70V52-V56 HydrophobicContact CG1-CG2 4.26Å; V52-V56 WeakPolarHBondContact O-CG2 3.42Å; V52-V56 PolarHBondContact O-N 2.95Å; M53-V56 PolarHBondContact O-N 2.9Å; D54-V56 VanDerWaalsContact C-N 3.29Å; D54-V56 PolarHBondContact O-N 3.29Å; V56-R66 HydrophobicContact CG1-CB 4.49Å; V56-R66 HydrophobicContact CG1-CG 3.62Å; V56-L69 HydrophobicContact CB-CB 4.49Å; V56-L69 HydrophobicContact CG1-CB 4.34Å; V56-L69 HydrophobicContact CG2-CB 3.27Å; V56-L69 HydrophobicContact CG2-CD1 3.86Å; V56-L69 HydrophobicContact CG2-CG 4.16Å; V56-M70 HydrophobicContact CG1-CG 3.64Å
57N81.5Confident85.5Confident128 Ų12890 Ų9068%0.68445%0.45SS*.Hα-helixtrans-72-40.8175.6-167.845.2000111.7M53 D54 K55M53-N57 PolarHBondContact O-N 2.94Å; D54-N57 WeakPolarHBondContact O-CB 3.2Å; D54-N57 PolarHBondContact O-N 3.46Å; D54-N57 VanDerWaalsContact O-N 3.1Å; K55-N57 VanDerWaalsContact C-N 3.29Å; K55-N57 PolarHBondContact O-N 2.93Å
58E79.6Confident85.3Confident121 Ų12194 Ų9457%0.56546%0.463SS*.Hα-helixtrans-74-35.4176.8-64.3-177.415800113D54 K55D54-E58 PolarHBondContact O-N 3.46Å; K55-E58 IonicContact NZ-OE2 2.76Å; K55-E58 PolarHBondContact NZ-OE2 3.47Å; K55-E58 PolarHBondContact O-N 3.27Å
59A73.5Confident85.2Confident37 Ų3791.1 Ų91.131%0.30645%0.453SS..SBendtrans-75.8131-171.200000112.6K55 V61 R66K55-A59 WeakPolarHBondContact O-CB 3.21Å; K55-A59 PolarHBondContact O-N 3.33Å; A59-V61 HydrophobicContact CB-CG1 3.89Å; A59-V61 HydrophobicContact CB-CG2 4.45Å; A59-V61 PolarHBondContact O-N 2.9Å; A59-R66 PolarHBondContact O-NH2 3.4Å
60K74.8Confident85.1Confident209 Ų20994.5 Ų94.591%0.90947%0.469SS*.  trans-75.954.9168.3-63.5-178.2-177.1177.90111.1
61V74.3Confident85.1Confident41 Ų4191.2 Ų91.225%0.24847%0.466CS..  trans-76.4154.8176.6-75.60000111.7A59 N65 R66A59-V61 HydrophobicContact CB-CG1 3.89Å; A59-V61 HydrophobicContact CB-CG2 4.45Å; A59-V61 PolarHBondContact O-N 2.9Å; V61-N65 HydrophobicContact CB-CB 4.4Å; V61-R66 HydrophobicContact CG2-CB 3.64Å; V61-R66 HydrophobicContact CG2-CG 4.01Å
62T84Confident85.1Confident101 Ų10191.2 Ų91.262%0.6247%0.466SS*.  trans-57.6149.3171.959.10000110.5L64 N65 R66T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact O-N 2.87Å; T62-N65 PolarHBondContact O-N 3.41Å; T62-N65 WeakPolarHBondContact OG1-CB 3.33Å; T62-R66 PolarHBondContact O-N 2.84Å
63K83.1Confident85.2Confident184 Ų18490.3 Ų90.380%0.846%0.461SS*.Hα-helixtrans-52.5-42.9-175-66.5-177.7-179.8-179.70112.8R66 I67K63-R66 WeakPolarHBondContact O-CB 3.31Å; K63-R66 PolarHBondContact O-N 2.87Å; K63-I67 VanDerWaalsContact O-CG1 3.32Å; K63-I67 WeakPolarHBondContact O-CG1 3.16Å; K63-I67 PolarHBondContact O-N 3.02Å; K63-I67 VanDerWaalsContact O-N 3.14Å
64L85.2Confident85.4Confident135 Ų13590.5 Ų90.571%0.70746%0.462SS*.Hα-helixtrans-65.4-47.2177.8-71.5173000112.1T62 R66 I67 L68T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact O-N 2.87Å; L64-R66 VanDerWaalsContact C-N 3.27Å; L64-R66 PolarHBondContact O-N 2.89Å; L64-I67 PolarHBondContact O-N 3.44Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 2.99Å
65N86.5Confident85.6Confident69 Ų6987.8 Ų87.837%0.36946%0.455SS..Hα-helixtrans-66-34-179.5-16033.5000111.5V61 T62 L68 L69V61-N65 HydrophobicContact CB-CB 4.4Å; T62-N65 PolarHBondContact O-N 3.41Å; T62-N65 WeakPolarHBondContact OG1-CB 3.33Å; N65-L68 PolarHBondContact O-N 3.15Å; N65-L69 WeakPolarHBondContact O-CB 3.46Å; N65-L69 VanDerWaalsContact O-CG 3.26Å; N65-L69 WeakPolarHBondContact O-CG 3.32Å; N65-L69 PolarHBondContact O-N 3.3Å
66R86.1Confident85.8Confident93 Ų9383.5 Ų83.535%0.35144%0.439SS..Hα-helixtrans-58.7-49.6171.5-165.9175.7-83.9-156.8-11.4111.5V56 A59 V61 T62 K63 L64 L69 M70V56-R66 HydrophobicContact CG1-CB 4.49Å; V56-R66 HydrophobicContact CG1-CG 3.62Å; A59-R66 PolarHBondContact O-NH2 3.4Å; V61-R66 HydrophobicContact CG2-CB 3.64Å; V61-R66 HydrophobicContact CG2-CG 4.01Å; T62-R66 PolarHBondContact O-N 2.84Å; K63-R66 WeakPolarHBondContact O-CB 3.31Å; K63-R66 PolarHBondContact O-N 2.87Å; L64-R66 VanDerWaalsContact C-N 3.27Å; L64-R66 PolarHBondContact O-N 2.89Å; R66-L69 PolarHBondContact O-N 3.45Å; R66-M70 HydrophobicContact CG-CE 3.91Å; R66-M70 HydrophobicContact CG-SD 4.4Å; R66-M70 WeakPolarHBondContact O-CB 3.2Å; R66-M70 VanDerWaalsContact O-CG 3.3Å; R66-M70 WeakPolarHBondContact O-CG 3.44Å; R66-M70 PolarHBondContact O-N 3.46Å
67I87.4Confident86.2Confident99 Ų9984.1 Ų84.151%0.50844%0.442SS..Hα-helixtrans-63.2-45-179.6-67164.1000110.7K63 L64 M70 A71K63-I67 VanDerWaalsContact O-CG1 3.32Å; K63-I67 WeakPolarHBondContact O-CG1 3.16Å; K63-I67 PolarHBondContact O-N 3.02Å; K63-I67 VanDerWaalsContact O-N 3.14Å; L64-I67 PolarHBondContact O-N 3.44Å; I67-M70 HydrophobicContact CG1-CE 4.29Å; I67-M70 PolarHBondContact O-N 2.88Å; I67-A71 WeakPolarHBondContact O-CB 3.37Å; I67-A71 PolarHBondContact O-N 3.43Å
68L89.8Confident86.7Confident117 Ų11782.6 Ų82.661%0.61343%0.433SS*.Hα-helixtrans-62.2-45.4179.1-69.3174000112.2L64 N65 A71 L72L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 2.99Å; N65-L68 PolarHBondContact O-N 3.15Å; L68-A71 PolarHBondContact O-N 3.2Å; L68-L72 WeakPolarHBondContact O-CB 3.22Å; L68-L72 PolarHBondContact O-N 3.43Å
69L89.2Confident87.4Confident55 Ų5580.3 Ų80.329%0.28843%0.427SS..Hα-helixtrans-69.6-36.4178.9-67.6169000112.4V56 N65 R66 L72 G73V56-L69 HydrophobicContact CB-CB 4.49Å; V56-L69 HydrophobicContact CG1-CB 4.34Å; V56-L69 HydrophobicContact CG2-CB 3.27Å; V56-L69 HydrophobicContact CG2-CD1 3.86Å; V56-L69 HydrophobicContact CG2-CG 4.16Å; N65-L69 WeakPolarHBondContact O-CB 3.46Å; N65-L69 VanDerWaalsContact O-CG 3.26Å; N65-L69 WeakPolarHBondContact O-CG 3.32Å; N65-L69 PolarHBondContact O-N 3.3Å; R66-L69 PolarHBondContact O-N 3.45Å; L69-L72 PolarHBondContact O-N 3.06Å; L69-G73 PolarHBondContact O-N 2.97Å
70M89.7Confident88.2Confident70 Ų7078.8 Ų78.835%0.34541%0.414SS..Hα-helixtrans-62.3-45.6171.2-74.5-173.3-60.800111.3V56 R66 I67 L72 G73 I74V56-M70 HydrophobicContact CG1-CG 3.64Å; R66-M70 HydrophobicContact CG-CE 3.91Å; R66-M70 HydrophobicContact CG-SD 4.4Å; R66-M70 WeakPolarHBondContact O-CB 3.2Å; R66-M70 VanDerWaalsContact O-CG 3.3Å; R66-M70 WeakPolarHBondContact O-CG 3.44Å; R66-M70 PolarHBondContact O-N 3.46Å; I67-M70 HydrophobicContact CG1-CE 4.29Å; I67-M70 PolarHBondContact O-N 2.88Å; M70-L72 VanDerWaalsContact C-N 3.31Å; M70-L72 PolarHBondContact O-N 3.27Å; M70-G73 PolarHBondContact O-N 2.94Å; M70-I74 WeakPolarHBondContact O-CB 3.34Å; M70-I74 VanDerWaalsContact O-CG1 3.26Å; M70-I74 WeakPolarHBondContact O-CG1 2.93Å; M70-I74 PolarHBondContact O-N 3.36Å
71A91.1Very high89Confident59 Ų5973.4 Ų73.449%0.48840%0.395SS..Hα-helixtrans-61.6-40.5177.200000111.7I67 L68 G75I67-A71 WeakPolarHBondContact O-CB 3.37Å; I67-A71 PolarHBondContact O-N 3.43Å; L68-A71 PolarHBondContact O-N 3.2Å; A71-G75 PolarHBondContact O-N 2.86Å
72L91.9Very high89.8Confident102 Ų10276.7 Ų76.753%0.53441%0.411SS..Hα-helixtrans-65.3-46.2175.4-175.6126.7000111.9V52 L68 L69 M70 G75 C76V52-L72 HydrophobicContact CG1-CD2 4.33Å; L68-L72 WeakPolarHBondContact O-CB 3.22Å; L68-L72 PolarHBondContact O-N 3.43Å; L69-L72 PolarHBondContact O-N 3.06Å; M70-L72 VanDerWaalsContact C-N 3.31Å; M70-L72 PolarHBondContact O-N 3.27Å; L72-G75 PolarHBondContact O-N 3.5Å; L72-C76 WeakPolarHBondContact O-CB 3.27Å; L72-C76 PolarHBondContact O-N 3.26Å
73G91.5Very high90Very high0 Ų074.1 Ų74.10%040%0.395CS..Hα-helixtrans-61.2-49177.200000112.3L69 M70 C76 I77L69-G73 PolarHBondContact O-N 2.97Å; M70-G73 PolarHBondContact O-N 2.94Å; G73-C76 WeakPolarHBondContact O-CB 3.38Å; G73-C76 PolarHBondContact O-N 3.04Å; G73-I77 VanDerWaalsContact O-CG1 3.31Å; G73-I77 WeakPolarHBondContact O-CG1 3.27Å; G73-I77 PolarHBondContact O-N 2.98Å
74I92.2Very high90.3Very high76 Ų7666.7 Ų66.739%0.3936%0.364SS..Hα-helixtrans-62.5-45.3176.7-66.1167.1000110.7M53 M70 C76 I77 L78M53-I74 HydrophobicContact CE-CD1 3.81Å; M53-I74 HydrophobicContact CE-CG1 3.53Å; M70-I74 WeakPolarHBondContact O-CB 3.34Å; M70-I74 VanDerWaalsContact O-CG1 3.26Å; M70-I74 WeakPolarHBondContact O-CG1 2.93Å; M70-I74 PolarHBondContact O-N 3.36Å; I74-C76 VanDerWaalsContact C-N 3.31Å; I74-C76 PolarHBondContact O-N 3.38Å; I74-I77 PolarHBondContact O-N 2.75Å; I74-L78 HydrophobicContact CG2-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CG 4.22Å; I74-L78 WeakPolarHBondContact O-CB 3.36Å; I74-L78 WeakPolarHBondContact O-CG 3.43Å; I74-L78 PolarHBondContact O-N 2.95Å
75G93Very high90.4Very high30 Ų3067.3 Ų67.331%0.30936%0.356SS..Hα-helixtrans-59.7-42.4177.600000112.1A71 L72 L78 V79A71-G75 PolarHBondContact O-N 2.86Å; L72-G75 PolarHBondContact O-N 3.5Å; G75-L78 PolarHBondContact O-N 3.04Å; G75-V79 WeakPolarHBondContact O-CB 3.35Å; G75-V79 VanDerWaalsContact O-CG2 3.22Å; G75-V79 WeakPolarHBondContact O-CG2 3.4Å; G75-V79 PolarHBondContact O-N 3.28Å
76C92.1Very high90.3Very high22 Ų2269 Ų6915%0.14937%0.365CS..Hα-helixtrans-62.7-45.7177.2-165.80000112M45 L72 G73 I74 S80M45-C76 WeakPolarHBondContact CG-SG 3.4Å; M45-C76 PolarHBondContact O-SG 3.37Å; L72-C76 WeakPolarHBondContact O-CB 3.27Å; L72-C76 PolarHBondContact O-N 3.26Å; G73-C76 WeakPolarHBondContact O-CB 3.38Å; G73-C76 PolarHBondContact O-N 3.04Å; I74-C76 VanDerWaalsContact C-N 3.31Å; I74-C76 PolarHBondContact O-N 3.38Å; C76-S80 WeakPolarHBondContact O-CB 3.19Å; C76-S80 PolarHBondContact O-N 3.36Å; C76-S80 PolarHBondContact O-OG 3.32Å
77I92.7Very high90.3Very high19 Ų1966.2 Ų66.210%0.09736%0.355CS..Hα-helixtrans-62.1-49.2175.3-65.3163.9000110.4F50 M53 G73 I74 V79 S80 L81F50-I77 HydrophobicContact CD1-CD1 3.83Å; F50-I77 HydrophobicContact CD2-CD1 4.13Å; F50-I77 HydrophobicContact CD2-CG1 4.11Å; F50-I77 HydrophobicContact CE1-CD1 3.86Å; F50-I77 HydrophobicContact CE2-CD1 4.15Å; F50-I77 HydrophobicContact CE2-CG1 4.08Å; F50-I77 HydrophobicContact CE2-CG2 4.12Å; F50-I77 HydrophobicContact CG-CD1 3.97Å; F50-I77 HydrophobicContact CG-CG1 4.41Å; F50-I77 HydrophobicContact CZ-CD1 4.02Å; F50-I77 HydrophobicContact CZ-CG1 4.35Å; F50-I77 HydrophobicContact CZ-CG2 4.05Å; M53-I77 HydrophobicContact SD-CD1 4.39Å; G73-I77 VanDerWaalsContact O-CG1 3.31Å; G73-I77 WeakPolarHBondContact O-CG1 3.27Å; G73-I77 PolarHBondContact O-N 2.98Å; I74-I77 PolarHBondContact O-N 2.75Å; I77-V79 PolarHBondContact O-N 3.23Å; I77-S80 PolarHBondContact O-N 2.95Å; I77-S80 PolarHBondContact O-OG 2.93Å; I77-L81 HydrophobicContact CG2-CD1 3.87Å; I77-L81 HydrophobicContact CG2-CG 4.35Å; I77-L81 WeakPolarHBondContact O-CG 3.38Å; I77-L81 PolarHBondContact O-N 2.87Å
78L93.8Very high90Very high95 Ų9564.7 Ų64.750%0.49735%0.347SS..Hα-helixtrans-61.3-45.8-179.4-73.7175.7000112.3I74 G75 S80 L81 L82I74-L78 HydrophobicContact CG2-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CG 4.22Å; I74-L78 WeakPolarHBondContact O-CB 3.36Å; I74-L78 WeakPolarHBondContact O-CG 3.43Å; I74-L78 PolarHBondContact O-N 2.95Å; G75-L78 PolarHBondContact O-N 3.04Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 2.83Å; L78-L81 PolarHBondContact O-N 3.5Å; L78-L82 WeakPolarHBondContact O-CB 3.22Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 2.92Å
79V92.5Very high89.6Confident73 Ų7361.1 Ų61.144%0.44233%0.332SS..Hα-helixtrans-61.7-43.1177.5169.80000110.8G75 I77 T83G75-V79 WeakPolarHBondContact O-CB 3.35Å; G75-V79 VanDerWaalsContact O-CG2 3.22Å; G75-V79 WeakPolarHBondContact O-CG2 3.4Å; G75-V79 PolarHBondContact O-N 3.28Å; I77-V79 PolarHBondContact O-N 3.23Å; V79-T83 VanDerWaalsContact O-CB 3.3Å; V79-T83 WeakPolarHBondContact O-CB 3.45Å; V79-T83 PolarHBondContact O-N 3.38Å; V79-T83 PolarHBondContact O-OG1 2.76Å
80S91.6Very high89Confident5 Ų561.1 Ų61.14%0.03533%0.334CS..Hα-helixtrans-62.4-44.117773.80000111.6M42 G46 C76 I77 L78 T83 L84M42-S80 WeakPolarHBondContact O-CB 3.3Å; G46-S80 WeakPolarHBondContact CA-OG 3.45Å; C76-S80 WeakPolarHBondContact O-CB 3.19Å; C76-S80 PolarHBondContact O-N 3.36Å; C76-S80 PolarHBondContact O-OG 3.32Å; I77-S80 PolarHBondContact O-N 2.95Å; I77-S80 PolarHBondContact O-OG 2.93Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 2.83Å; S80-T83 PolarHBondContact O-N 2.91Å; S80-L84 VanDerWaalsContact O-CB 3.31Å; S80-L84 WeakPolarHBondContact O-CB 3.48Å; S80-L84 WeakPolarHBondContact O-CD1 3.34Å; S80-L84 WeakPolarHBondContact O-CG 3.36Å; S80-L84 PolarHBondContact O-N 3.13Å
81L91.1Very high88.4Confident96 Ų9658.9 Ų58.950%0.50332%0.323SS..Hα-helixtrans-65.5-46.7179.5-72.8174.2000112.2I77 L78 R85I77-L81 HydrophobicContact CG2-CD1 3.87Å; I77-L81 HydrophobicContact CG2-CG 4.35Å; I77-L81 WeakPolarHBondContact O-CG 3.38Å; I77-L81 PolarHBondContact O-N 2.87Å; L78-L81 PolarHBondContact O-N 3.5Å; L81-R85 WeakPolarHBondContact O-CB 3.25Å; L81-R85 WeakPolarHBondContact O-CG 3.35Å; L81-R85 PolarHBondContact O-N 2.9Å
82L91.8Very high87.7Confident111 Ų11158.2 Ų58.258%0.58131%0.311SS*.Hα-helixtrans-62.8-43.8177.9-70.2174.5000111.1L78 R85 I86L78-L82 WeakPolarHBondContact O-CB 3.22Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 2.92Å; L82-R85 PolarHBondContact O-N 2.97Å; L82-I86 VanDerWaalsContact O-CG1 3.25Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 3.09Å
83T88.2Confident86.6Confident47 Ų4756.5 Ų56.529%0.28831%0.306SS..Hα-helixtrans-68.6-41.2-178.7-51.70000111.7M42 V79 S80 R85 I86 F87M42-T83 HydrophobicContact CE-CG2 3.73Å; M42-T83 HydrophobicContact CG-CG2 3.97Å; M42-T83 HydrophobicContact SD-CG2 3.74Å; V79-T83 VanDerWaalsContact O-CB 3.3Å; V79-T83 WeakPolarHBondContact O-CB 3.45Å; V79-T83 PolarHBondContact O-N 3.38Å; V79-T83 PolarHBondContact O-OG1 2.76Å; S80-T83 PolarHBondContact O-N 2.91Å; T83-R85 VanDerWaalsContact C-N 3.34Å; T83-R85 PolarHBondContact O-N 3.02Å; T83-I86 PolarHBondContact O-N 3.5Å; T83-F87 WeakPolarHBondContact O-CB 3.44Å; T83-F87 PolarHBondContact O-N 2.96Å
84L88.1Confident85.4Confident27 Ų2760.1 Ų60.114%0.14133%0.331CS..Hα-helixtrans-64-38.7174.3-72.4168.9000111.9M42 F43 S80 F87 I88M42-L84 HydrophobicContact CB-CD2 4.15Å; M42-L84 HydrophobicContact CB-CG 4.24Å; F43-L84 HydrophobicContact CD1-CD1 3.78Å; F43-L84 HydrophobicContact CD1-CD2 4.28Å; F43-L84 HydrophobicContact CD2-CD2 4.27Å; F43-L84 HydrophobicContact CE1-CD1 3.62Å; F43-L84 HydrophobicContact CE1-CD2 3.88Å; F43-L84 HydrophobicContact CE1-CG 4.41Å; F43-L84 HydrophobicContact CE2-CD2 3.86Å; F43-L84 HydrophobicContact CG-CD2 4.45Å; F43-L84 HydrophobicContact CZ-CD1 4.26Å; F43-L84 HydrophobicContact CZ-CD2 3.65Å; S80-L84 VanDerWaalsContact O-CB 3.31Å; S80-L84 WeakPolarHBondContact O-CB 3.48Å; S80-L84 WeakPolarHBondContact O-CD1 3.34Å; S80-L84 WeakPolarHBondContact O-CG 3.36Å; S80-L84 PolarHBondContact O-N 3.13Å; L84-F87 PolarHBondContact O-N 3.22Å; L84-I88 WeakPolarHBondContact O-CG1 3.22Å; L84-I88 PolarHBondContact O-N 3.04Å
85R87.5Confident84.1Confident148 Ų14864.2 Ų64.256%0.55834%0.343SS*.Hα-helixtrans-61.9-49.2173.4-76.7-72.6-169-1731.4111.6L81 L82 T83 F87 I88 S89 M96L81-R85 WeakPolarHBondContact O-CB 3.25Å; L81-R85 WeakPolarHBondContact O-CG 3.35Å; L81-R85 PolarHBondContact O-N 2.9Å; L82-R85 PolarHBondContact O-N 2.97Å; T83-R85 VanDerWaalsContact C-N 3.34Å; T83-R85 PolarHBondContact O-N 3.02Å; R85-F87 VanDerWaalsContact C-N 3.26Å; R85-F87 PolarHBondContact O-N 3.42Å; R85-I88 PolarHBondContact O-N 3.37Å; R85-S89 PolarHBondContact O-N 3.27Å; R85-S89 PolarHBondContact O-OG 2.8Å; R85-M96 HydrophobicContact CB-CE 4.32Å
86I85.7Confident82.5Confident106 Ų10666.9 Ų66.954%0.54435%0.348SS..Hα-helixtrans-58.7-42.6176.5-68.4163.5000110L82 T83 I88 S89 T90L82-I86 VanDerWaalsContact O-CG1 3.25Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 3.09Å; T83-I86 PolarHBondContact O-N 3.5Å; I86-I88 PolarHBondContact O-N 2.91Å; I86-S89 WeakPolarHBondContact O-CB 3.47Å; I86-S89 PolarHBondContact O-N 3.38Å; I86-T90 HydrophobicContact CG2-CG2 4.27Å; I86-T90 WeakPolarHBondContact O-CG2 3.4Å; I86-T90 PolarHBondContact O-N 3.19Å; I86-T90 PolarHBondContact O-OG1 2.92Å
87F84.7Confident80.9Confident33 Ų3377.2 Ų77.215%0.14539%0.394CS..Hα-helixtrans-64.8-38.5179.6-176.1-88000113.1I23 E35 A39 T83 L84 R85 T90 K91I23-F87 HydrophobicContact CD1-CD2 4.18Å; E35-F87 HydrophobicContact CB-CE2 4.49Å; E35-F87 HydrophobicContact CG-CE2 3.36Å; E35-F87 HydrophobicContact CG-CZ 3.33Å; E35-F87 WeakPolarHBondContact OE1-CZ 3.47Å; A39-F87 HydrophobicContact CB-CE1 4.16Å; A39-F87 HydrophobicContact CB-CE2 4.38Å; A39-F87 HydrophobicContact CB-CZ 3.82Å; T83-F87 WeakPolarHBondContact O-CB 3.44Å; T83-F87 PolarHBondContact O-N 2.96Å; L84-F87 PolarHBondContact O-N 3.22Å; R85-F87 VanDerWaalsContact C-N 3.26Å; R85-F87 PolarHBondContact O-N 3.42Å; F87-T90 WeakPolarHBondContact CA-OG1 3.37Å; F87-T90 PolarHBondContact O-OG1 3.25Å; F87-K91 WeakPolarHBondContact O-CB 3.14Å; F87-K91 PolarHBondContact O-N 3.09Å
88I81.2Confident80.3Confident67 Ų6780.1 Ų80.134%0.34441%0.409SS..Hα-helixtrans-66.8-43.7172.6-67.8165.7000110.2L84 R85 I86 T90 K91 L92 Y95L84-I88 WeakPolarHBondContact O-CG1 3.22Å; L84-I88 PolarHBondContact O-N 3.04Å; R85-I88 PolarHBondContact O-N 3.37Å; I86-I88 PolarHBondContact O-N 2.91Å; I88-T90 VanDerWaalsContact C-N 3.33Å; I88-T90 PolarHBondContact O-N 2.82Å; I88-K91 PolarHBondContact O-N 3.41Å; I88-L92 PolarHBondContact O-N 2.82Å; I88-Y95 HydrophobicContact CG2-CD1 3.88Å; I88-Y95 HydrophobicContact CG2-CE1 4.41Å
89S81.8Confident79.5Confident42 Ų4279.3 Ų79.329%0.29441%0.405SS..Hα-helixtrans-60.7-39.5176.1-67.70000112.9R85 I86 L92 P93 M96R85-S89 PolarHBondContact O-N 3.27Å; R85-S89 PolarHBondContact O-OG 2.8Å; I86-S89 WeakPolarHBondContact O-CB 3.47Å; I86-S89 PolarHBondContact O-N 3.38Å; S89-L92 CarbonylContact O-C 3.34Å; S89-P93 WeakPolarHBondContact O-CA 3.47Å; S89-M96 WeakPolarHBondContact OG-CE 3.35Å
90T77.6Confident78.8Confident55 Ų5579.7 Ų79.734%0.33740%0.402SS..Hα-helixtrans-73.6-32.2178.554.20000111.9I23 V25 I86 F87 I88I23-T90 WeakPolarHBondContact CD1-OG1 3.22Å; V25-T90 WeakPolarHBondContact CG1-O 3.45Å; I86-T90 HydrophobicContact CG2-CG2 4.27Å; I86-T90 WeakPolarHBondContact O-CG2 3.4Å; I86-T90 PolarHBondContact O-N 3.19Å; I86-T90 PolarHBondContact O-OG1 2.92Å; F87-T90 WeakPolarHBondContact CA-OG1 3.37Å; F87-T90 PolarHBondContact O-OG1 3.25Å; I88-T90 VanDerWaalsContact C-N 3.33Å; I88-T90 PolarHBondContact O-N 2.82Å
91K76Confident78.1Confident23 Ų2384.1 Ų84.110%0.142%0.424CS..Hα-helixtrans-75.3-36177-159.5170.4-171.5159.70112.7W26 R27 L28 E35 F87 I88W26-K91 PolarHBondContact N-O 3.31Å; W26-K91 VanDerWaalsContact N-O 3.09Å; R27-K91 WeakPolarHBondContact O-CE 3.35Å; L28-K91 HydrophobicContact CD2-CD 4.48Å; E35-K91 WeakPolarHBondContact OE1-CE 3.47Å; E35-K91 IonicContact OE1-NZ 2.75Å; E35-K91 PolarHBondContact OE1-NZ 2.88Å; F87-K91 WeakPolarHBondContact O-CB 3.14Å; F87-K91 PolarHBondContact O-N 3.09Å; I88-K91 PolarHBondContact O-N 3.41Å
92L77.5Confident77.3Confident45 Ų4583.3 Ų83.324%0.23642%0.419CS..  trans-136.181.6-177.7-69.8160.4000110.6L28 I88 S89 S94 Y95L28-L92 HydrophobicContact CD1-CD1 4.4Å; L28-L92 HydrophobicContact CD1-CD2 4.05Å; L28-L92 HydrophobicContact CD2-CD1 3.9Å; L28-L92 HydrophobicContact CD2-CG 4.32Å; L28-L92 HydrophobicContact CG-CD2 4.32Å; I88-L92 PolarHBondContact O-N 2.82Å; S89-L92 CarbonylContact O-C 3.34Å; L92-S94 PolarHBondContact O-N 2.89Å; L92-Y95 HydrophobicContact CD1-CD2 4.5Å; L92-Y95 HydrophobicContact CD1-CG 4.42Å; L92-Y95 WeakPolarHBondContact O-CB 3.41Å; L92-Y95 PolarHBondContact O-N 3.46Å
93P69Low76.3Confident67 Ų6781.5 Ų81.544%0.43541%0.408SS..THydrogen-bonded Turntrans-66.2-13-174.626.2-34.3000114W26 S89W26-P93 HydrophobicContact CH2-CG 3.34Å; W26-P93 HydrophobicContact CZ2-CG 3.25Å; W26-P93 HydrophobicContact CZ3-CG 4.02Å; S89-P93 WeakPolarHBondContact O-CA 3.47Å
94S65.3Low75.5Confident76 Ų7683.9 Ų83.953%0.53142%0.417SS..THydrogen-bonded Turntrans-94.71.7174.5-54.60000114.7L92L92-S94 PolarHBondContact O-N 2.89Å
95Y64.6Low74.5Confident162 Ų16288.3 Ų88.364%0.63544%0.438SS*.THydrogen-bonded Turntrans-85-18.4-173.4-171.3-101.9000114.5I88 L92I88-Y95 HydrophobicContact CG2-CD1 3.88Å; I88-Y95 HydrophobicContact CG2-CE1 4.41Å; L92-Y95 HydrophobicContact CD1-CD2 4.5Å; L92-Y95 HydrophobicContact CD1-CG 4.42Å; L92-Y95 WeakPolarHBondContact O-CB 3.41Å; L92-Y95 PolarHBondContact O-N 3.46Å
96M59.9Low73.4Confident86 Ų8683.3 Ų83.342%0.42443%0.428SS..THydrogen-bonded Turntrans-121.134.1-176.9-61.8-142.8-75.600113.7R85 S89R85-M96 HydrophobicContact CB-CE 4.32Å; S89-M96 WeakPolarHBondContact OG-CE 3.35Å
97Q57.7Low72.3Confident238 Ų23881.3 Ų81.3100%1.11242%0.418SS*.  trans-74.10160.1-69.6-171.9-23.900109.8

Retrieved 97 of 97 residues in 93.6 ms (Link to these results)