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Transcription initiation factor IIA subunit 2

TFIIA is a component of the transcription machinery of RNA polymerase II and plays an important role in transcriptional activation. TFIIA in a complex with TBP mediates transcriptional activity (By similarity).

AlphaFold DB , UniProt , Accession C4QGM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 104 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
1M56.8Low83.9Confident185 Ų18574.9 Ų74.991%0.91139%0.392SS*.  0122.30-162.5169.8-83.200107.3E5M1-E5 VanDerWaalsContact C-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; M1-E5 HydrophobicContact CG-CB 3.48Å; M1-E5 VanDerWaalsContact CG-CB 3.48Å; M1-E5 HydrophobicContact CG-CG 4.44Å; M1-E5 WeakPolarHBondContact CG-OE2 3.42Å; M1-E5 HydrophobicContact SD-CB 4.43Å
2T72.1Confident84.9Confident72 Ų7277.7 Ų77.744%0.44241%0.407SS..  trans-69.6155.7176.768.70000109.7H4 E5T2-H4 PolarHBondContact O-N 3.35Å; T2-H4 VanDerWaalsContact O-N 3.09Å; T2-E5 PolarHBondContact N-OE2 2.89Å; T2-E5 WeakPolarHBondContact O-CB 3.19Å; T2-E5 PolarHBondContact O-N 3.29Å; T2-E5 WeakPolarHBondContact OG1-CG 3.46Å
3Y67.8Low85.8Confident66 Ų6671.7 Ų71.726%0.25938%0.375SS..THydrogen-bonded Turntrans-53.7-32.3177.9172.4-90.6000112.3M6 Y7 L100 K103Y3-M6 HydrophobicContact CD2-SD 4.07Å; Y3-M6 HydrophobicContact CE2-SD 4.19Å; Y3-M6 PolarHBondContact O-N 3.48Å; Y3-Y7 AromaticContact CE1-CE2 3.7Å; Y3-Y7 HydrophobicContact CE1-CE2 3.7Å; Y3-Y7 AromaticContact CZ-CE2 3.9Å; Y3-Y7 AromaticContact CZ-CZ 3.98Å; Y3-Y7 WeakPolarHBondContact OH-CE2 3.3Å; Y3-Y7 PolarHBondContact OH-OH 3.47Å; Y3-L100 HydrophobicContact CE2-CD2 4.43Å; Y3-K103 HydrophobicContact CE1-CD 4.38Å; Y3-K103 HydrophobicContact CE2-CD 3.58Å; Y3-K103 WeakPolarHBondContact OH-CD 3.49Å; Y3-K103 WeakPolarHBondContact OH-CE 3.33Å; Y3-K103 PolarHBondContact OH-NZ 2.79Å
4H83.4Confident86.6Confident80 Ų8069.5 Ų69.537%0.3737%0.366SS..THydrogen-bonded Turntrans-72.8-31.4179.7-54.6-65.5000113.2T2 M6 Y7 D42 S46T2-H4 PolarHBondContact O-N 3.35Å; T2-H4 VanDerWaalsContact O-N 3.09Å; H4-M6 PolarHBondContact O-N 3.46Å; H4-Y7 WeakPolarHBondContact O-CD2 3.39Å; H4-Y7 PolarHBondContact O-N 3.03Å; H4-D42 HydrophobicContact CB-CB 3.77Å; H4-S46 PolarHBondContact CE1-OG 3.09Å; H4-S46 VanDerWaalsContact CE1-OG 3.32Å; H4-S46 VanDerWaalsContact ND1-CB 3.26Å; H4-S46 WeakPolarHBondContact ND1-CB 2.99Å; H4-S46 PolarHBondContact ND1-OG 3.02Å; H4-S46 VanDerWaalsContact ND1-OG 3.12Å
5E87.6Confident87.4Confident58 Ų5869.9 Ų69.927%0.27137%0.373SS..G310 helixtrans-67.9-22.1178-73.1164.8-179.100112.5M1 T2 Y7 R8M1-E5 VanDerWaalsContact C-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; M1-E5 HydrophobicContact CG-CB 3.48Å; M1-E5 VanDerWaalsContact CG-CB 3.48Å; M1-E5 HydrophobicContact CG-CG 4.44Å; M1-E5 WeakPolarHBondContact CG-OE2 3.42Å; M1-E5 HydrophobicContact SD-CB 4.43Å; T2-E5 PolarHBondContact N-OE2 2.89Å; T2-E5 WeakPolarHBondContact O-CB 3.19Å; T2-E5 PolarHBondContact O-N 3.29Å; T2-E5 WeakPolarHBondContact OG1-CG 3.46Å; E5-Y7 PolarHBondContact O-N 2.65Å; E5-R8 WeakPolarHBondContact O-CB 3.35Å; E5-R8 VanDerWaalsContact O-CG 3.24Å; E5-R8 WeakPolarHBondContact O-CG 3.19Å; E5-R8 PolarHBondContact O-N 3.04Å
6M88.9Confident88Confident51 Ų5168.7 Ų68.725%0.25137%0.366SS..G310 helixtrans-59.4-29.2176.5-65.5-179.2176.100112.3Y3 H4 R8 S9 P99 L100Y3-M6 HydrophobicContact CD2-SD 4.07Å; Y3-M6 HydrophobicContact CE2-SD 4.19Å; Y3-M6 PolarHBondContact O-N 3.48Å; H4-M6 PolarHBondContact O-N 3.46Å; M6-R8 PolarHBondContact O-N 3.29Å; M6-S9 PolarHBondContact O-N 3.45Å; M6-S9 PolarHBondContact O-OG 2.98Å; M6-P99 HydrophobicContact CE-CB 4.49Å; M6-P99 HydrophobicContact SD-CB 4.12Å; M6-L100 HydrophobicContact CB-CD2 3.74Å; M6-L100 HydrophobicContact CB-CG 4.32Å; M6-L100 HydrophobicContact SD-CD2 4.35Å
7Y92.6Very high88.6Confident19 Ų1969.9 Ų69.98%0.07536%0.364CS..G310 helixtrans-69.4-16.5176.8-66.8-64.8000113.3Y3 H4 E5 S9 T10 I45 L49 L100Y3-Y7 AromaticContact CE1-CE2 3.7Å; Y3-Y7 HydrophobicContact CE1-CE2 3.7Å; Y3-Y7 AromaticContact CZ-CE2 3.9Å; Y3-Y7 AromaticContact CZ-CZ 3.98Å; Y3-Y7 WeakPolarHBondContact OH-CE2 3.3Å; Y3-Y7 PolarHBondContact OH-OH 3.47Å; H4-Y7 WeakPolarHBondContact O-CD2 3.39Å; H4-Y7 PolarHBondContact O-N 3.03Å; E5-Y7 PolarHBondContact O-N 2.65Å; Y7-S9 PolarHBondContact O-N 3.21Å; Y7-T10 HydrophobicContact CD1-CG2 4.29Å; Y7-T10 WeakPolarHBondContact O-CB 3.48Å; Y7-T10 WeakPolarHBondContact O-CG2 3.43Å; Y7-T10 PolarHBondContact O-N 3.41Å; Y7-T10 VanDerWaalsContact O-N 3.11Å; Y7-T10 PolarHBondContact O-OG1 3.32Å; Y7-I45 HydrophobicContact CD1-CG1 4.3Å; Y7-I45 HydrophobicContact CD2-CG2 3.61Å; Y7-I45 HydrophobicContact CE2-CG2 4.42Å; Y7-I45 HydrophobicContact CG-CG1 4.1Å; Y7-I45 HydrophobicContact CG-CG2 3.73Å; Y7-L49 HydrophobicContact CD1-CD1 3.82Å; Y7-L49 HydrophobicContact CE1-CD1 3.14Å; Y7-L49 HydrophobicContact CE2-CD1 4.34Å; Y7-L49 VanDerWaalsContact CZ-CD1 3.42Å; Y7-L49 WeakPolarHBondContact OH-CD1 3.31Å; Y7-L100 HydrophobicContact CD1-CD1 3.76Å; Y7-L100 HydrophobicContact CD1-CD2 4.21Å; Y7-L100 HydrophobicContact CE1-CD1 4.02Å; Y7-L100 HydrophobicContact CE1-CD2 3.95Å
8R94Very high89.1Confident56 Ų5672.6 Ų72.621%0.21138%0.375CS..G310 helixtrans-67.3-18.4177.7-59.8-174177.6-168.86.1113.1E5 M6 G13 T14 R17 M38 F41 D42E5-R8 WeakPolarHBondContact O-CB 3.35Å; E5-R8 VanDerWaalsContact O-CG 3.24Å; E5-R8 WeakPolarHBondContact O-CG 3.19Å; E5-R8 PolarHBondContact O-N 3.04Å; M6-R8 PolarHBondContact O-N 3.29Å; R8-G13 CarbonylContact O-C 3.33Å; R8-T14 PolarHBondContact O-N 3.37Å; R8-R17 PolarHBondContact O-NH2 2.85Å; R8-M38 HydrophobicContact CB-CE 4.01Å; R8-M38 HydrophobicContact CG-CE 3.53Å; R8-F41 HydrophobicContact CG-CD1 4.26Å; R8-F41 HydrophobicContact CG-CE1 4.21Å; R8-D42 WeakPolarHBondContact CG-OD1 3.47Å; R8-D42 IonicContact CZ-OD1 3.79Å; R8-D42 IonicContact CZ-OD2 3.24Å; R8-D42 VanDerWaalsContact CZ-OD2 3.24Å; R8-D42 VanDerWaalsContact NE-CG 3.33Å; R8-D42 IonicContact NE-OD1 2.85Å; R8-D42 PolarHBondContact NE-OD1 3.49Å; R8-D42 IonicContact NE-OD2 3.88Å; R8-D42 PolarHBondContact NE-OD2 3.35Å; R8-D42 IonicContact NH2-OD1 2.65Å; R8-D42 IonicContact NH2-OD2 3.04Å; R8-D42 PolarHBondContact NH2-OD2 3.05Å
9S91.7Very high89.6Confident81 Ų8171 Ų7157%0.56637%0.374SS*.G310 helixtrans-92.71174.5700000113.5M6 Y7M6-S9 PolarHBondContact O-N 3.45Å; M6-S9 PolarHBondContact O-OG 2.98Å; Y7-S9 PolarHBondContact O-N 3.21Å
10T93.3Very high90Very high41 Ų4168 Ų6825%0.25236%0.358SS..SBendtrans-73.7159.4168.966.60000110Y7 L12 G13 T14 L100Y7-T10 HydrophobicContact CD1-CG2 4.29Å; Y7-T10 WeakPolarHBondContact O-CB 3.48Å; Y7-T10 WeakPolarHBondContact O-CG2 3.43Å; Y7-T10 PolarHBondContact O-N 3.41Å; Y7-T10 VanDerWaalsContact O-N 3.11Å; Y7-T10 PolarHBondContact O-OG1 3.32Å; T10-L12 PolarHBondContact O-N 3.1Å; T10-G13 CarbonylContact O-C 3.58Å; T10-G13 WeakPolarHBondContact O-CA 3.26Å; T10-G13 PolarHBondContact O-N 3.32Å; T10-G13 PolarHBondContact OG1-N 3.08Å; T10-T14 PolarHBondContact O-N 3.22Å; T10-T14 PolarHBondContact O-OG1 3.01Å; T10-L100 HydrophobicContact CG2-CD1 3.67Å
11T95.3Very high90.3Very high115 Ų11568.5 Ų68.571%0.70636%0.361SS*.Hα-helixtrans-50.7-43175.5-49.70000112.3G13 T14 T15T11-G13 VanDerWaalsContact C-N 3.33Å; T11-G13 PolarHBondContact O-N 3.12Å; T11-T14 WeakPolarHBondContact CA-OG1 3.5Å; T11-T14 PolarHBondContact O-N 3.01Å; T11-T14 PolarHBondContact O-OG1 2.82Å; T11-T15 WeakPolarHBondContact O-CB 3.31Å; T11-T15 PolarHBondContact O-N 2.89Å; T11-T15 PolarHBondContact O-OG1 3.27Å
12L95.7Very high92.2Very high108 Ų10865.6 Ų65.657%0.56535%0.345SS*.Hα-helixtrans-62.2-41.7176.9-17764.1000112.1T10 L16 F41 I45T10-L12 PolarHBondContact O-N 3.1Å; L12-L16 VanDerWaalsContact O-CB 3.25Å; L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 PolarHBondContact O-N 3.44Å; L12-L16 VanDerWaalsContact O-N 3.08Å; L12-F41 HydrophobicContact CD2-CE2 3.97Å; L12-F41 HydrophobicContact CG-CE2 3.99Å; L12-I45 HydrophobicContact CD2-CD1 3.95Å
13G96.5Very high93.5Very high0 Ų065.6 Ų65.60%034%0.341CS..Hα-helixtrans-71.2-35.9178.700000113.7R8 T10 T11 R17R8-G13 CarbonylContact O-C 3.33Å; T10-G13 CarbonylContact O-C 3.58Å; T10-G13 WeakPolarHBondContact O-CA 3.26Å; T10-G13 PolarHBondContact O-N 3.32Å; T10-G13 PolarHBondContact OG1-N 3.08Å; T11-G13 VanDerWaalsContact C-N 3.33Å; T11-G13 PolarHBondContact O-N 3.12Å; G13-R17 PolarHBondContact O-N 3.32Å
14T96.7Very high94.8Very high41 Ų4164.4 Ų64.425%0.25234%0.339SS..Hα-helixtrans-72.5-47.8177.355.40000111R8 T10 T11 L16 R17 E18R8-T14 PolarHBondContact O-N 3.37Å; T10-T14 PolarHBondContact O-N 3.22Å; T10-T14 PolarHBondContact O-OG1 3.01Å; T11-T14 WeakPolarHBondContact CA-OG1 3.5Å; T11-T14 PolarHBondContact O-N 3.01Å; T11-T14 PolarHBondContact O-OG1 2.82Å; T14-L16 VanDerWaalsContact C-N 3.32Å; T14-L16 PolarHBondContact O-N 3.49Å; T14-R17 WeakPolarHBondContact O-CB 3.13Å; T14-R17 PolarHBondContact O-N 3.3Å; T14-R17 VanDerWaalsContact O-N 3.09Å; T14-E18 WeakPolarHBondContact O-CG 3.45Å; T14-E18 PolarHBondContact O-N 3.12Å
15T98.3Very high95.4Very high75 Ų7564.3 Ų64.346%0.4635%0.352SS..Hα-helixtrans-64-36.7178.4-57.40000112T11 E18 A19T11-T15 WeakPolarHBondContact O-CB 3.31Å; T11-T15 PolarHBondContact O-N 2.89Å; T11-T15 PolarHBondContact O-OG1 3.27Å; T15-E18 PolarHBondContact O-N 3.19Å; T15-A19 WeakPolarHBondContact O-CB 3.5Å; T15-A19 PolarHBondContact O-N 2.93Å
16L98.2Very high95.9Very high51 Ų5167.2 Ų67.227%0.26737%0.365SS..Hα-helixtrans-62.5-42.8172.717760.8000111.7L12 T14 A19 L20 V37 M38 F41L12-L16 VanDerWaalsContact O-CB 3.25Å; L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 PolarHBondContact O-N 3.44Å; L12-L16 VanDerWaalsContact O-N 3.08Å; T14-L16 VanDerWaalsContact C-N 3.32Å; T14-L16 PolarHBondContact O-N 3.49Å; L16-A19 PolarHBondContact O-N 3.36Å; L16-L20 HydrophobicContact CD1-CD1 4.27Å; L16-L20 HydrophobicContact CD1-CG 4.34Å; L16-L20 HydrophobicContact CG-CD1 4.1Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 3.31Å; L16-V37 HydrophobicContact CD1-CG1 4.44Å; L16-V37 HydrophobicContact CD2-CG1 4.45Å; L16-M38 HydrophobicContact CD2-SD 4.03Å; L16-M38 HydrophobicContact CG-SD 4.15Å; L16-F41 HydrophobicContact CD2-CB 3.86Å; L16-F41 HydrophobicContact CD2-CD2 3.66Å; L16-F41 HydrophobicContact CD2-CE2 4.42Å; L16-F41 HydrophobicContact CD2-CG 3.84Å
17R97.1Very high96.2Very high89 Ų8971.8 Ų71.834%0.33639%0.39SS..Hα-helixtrans-64.5-46.5177.8-170.9-173.7-52.7106.918.9111.5R8 G13 T14 A19 L20 D21R8-R17 PolarHBondContact O-NH2 2.85Å; G13-R17 PolarHBondContact O-N 3.32Å; T14-R17 WeakPolarHBondContact O-CB 3.13Å; T14-R17 PolarHBondContact O-N 3.3Å; T14-R17 VanDerWaalsContact O-N 3.09Å; R17-A19 VanDerWaalsContact C-N 3.28Å; R17-A19 PolarHBondContact O-N 3.49Å; R17-L20 WeakPolarHBondContact O-CB 3.24Å; R17-L20 PolarHBondContact O-N 2.96Å; R17-D21 VanDerWaalsContact O-CG 3.25Å; R17-D21 PolarHBondContact O-N 3.37Å
18E97.7Very high96.4Very high118 Ų11876.4 Ų76.455%0.55142%0.416SS*.Hα-helixtrans-55.8-44.6177.1-72163.7-174.300111.3T14 T15 L20 D21 E22T14-E18 WeakPolarHBondContact O-CG 3.45Å; T14-E18 PolarHBondContact O-N 3.12Å; T15-E18 PolarHBondContact O-N 3.19Å; E18-L20 PolarHBondContact O-N 3.33Å; E18-D21 PolarHBondContact O-N 2.84Å; E18-E22 WeakPolarHBondContact O-CB 2.77Å; E18-E22 PolarHBondContact O-N 3.5Å
19A98.1Very high96.4Very high43 Ų4375.8 Ų75.836%0.35542%0.416SS..Hα-helixtrans-64-40175.300000112.8T15 L16 R17 M23T15-A19 WeakPolarHBondContact O-CB 3.5Å; T15-A19 PolarHBondContact O-N 2.93Å; L16-A19 PolarHBondContact O-N 3.36Å; R17-A19 VanDerWaalsContact C-N 3.28Å; R17-A19 PolarHBondContact O-N 3.49Å; A19-M23 VanDerWaalsContact O-CG 3.25Å; A19-M23 WeakPolarHBondContact O-CG 3.03Å; A19-M23 PolarHBondContact O-N 2.98Å
20L98Very high96.5Very high11 Ų1178.8 Ų78.86%0.05842%0.422CS..Hα-helixtrans-66.7-40176.6-70.1168.7000112L16 R17 E18 M23 L24 L29 D34 V37 M38L16-L20 HydrophobicContact CD1-CD1 4.27Å; L16-L20 HydrophobicContact CD1-CG 4.34Å; L16-L20 HydrophobicContact CG-CD1 4.1Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 3.31Å; R17-L20 WeakPolarHBondContact O-CB 3.24Å; R17-L20 PolarHBondContact O-N 2.96Å; E18-L20 PolarHBondContact O-N 3.33Å; L20-M23 PolarHBondContact O-N 2.91Å; L20-L24 WeakPolarHBondContact O-CG 3.4Å; L20-L24 PolarHBondContact O-N 3.35Å; L20-L29 HydrophobicContact CD2-CD1 3.72Å; L20-D34 HydrophobicContact CB-CB 4.12Å; L20-D34 HydrophobicContact CD1-CB 4.4Å; L20-V37 HydrophobicContact CD1-CB 3.91Å; L20-V37 HydrophobicContact CD1-CG1 3.8Å; L20-V37 HydrophobicContact CD2-CB 4.14Å; L20-V37 HydrophobicContact CD2-CG1 4.09Å; L20-V37 HydrophobicContact CD2-CG2 4.16Å; L20-M38 HydrophobicContact CD1-CG 4.05Å; L20-M38 HydrophobicContact CD1-SD 3.93Å
21D96.6Very high96.4Very high79 Ų7982.7 Ų82.742%0.42245%0.448SS..Hα-helixtrans-64.9-41.8177.4-67.8-21.1000110.8R17 E18 L24 A25R17-D21 VanDerWaalsContact O-CG 3.25Å; R17-D21 PolarHBondContact O-N 3.37Å; E18-D21 PolarHBondContact O-N 2.84Å; D21-L24 PolarHBondContact O-N 3.29Å; D21-A25 WeakPolarHBondContact O-CB 3.49Å; D21-A25 PolarHBondContact O-N 3.36Å
22E97.6Very high96.3Very high123 Ų12378.7 Ų78.758%0.57543%0.429SS*.Hα-helixtrans-62-46.5173.5-178.7175.4-173.300111.3E18 L24 A25 H26E18-E22 WeakPolarHBondContact O-CB 2.77Å; E18-E22 PolarHBondContact O-N 3.5Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 2.99Å; E22-A25 WeakPolarHBondContact O-CB 3.5Å; E22-A25 PolarHBondContact O-N 3.17Å; E22-A25 VanDerWaalsContact O-N 3.17Å; E22-H26 PolarHBondContact O-CD2 3.32Å; E22-H26 PolarHBondContact O-N 3.17Å
23M97.7Very high96.2Very high73 Ų7376.2 Ų76.236%0.3642%0.415SS..Hα-helixtrans-61.9-36.6176.6-71.6177.677.700112.7A19 L20 N27 L28 L29A19-M23 VanDerWaalsContact O-CG 3.25Å; A19-M23 WeakPolarHBondContact O-CG 3.03Å; A19-M23 PolarHBondContact O-N 2.98Å; L20-M23 PolarHBondContact O-N 2.91Å; M23-N27 PolarHBondContact O-N 2.85Å; M23-L28 HydrophobicContact CB-CB 4.2Å; M23-L28 HydrophobicContact CE-CB 4.42Å; M23-L28 HydrophobicContact CG-CD1 4.41Å; M23-L28 WeakPolarHBondContact O-CB 3.21Å; M23-L28 PolarHBondContact O-N 2.86Å; M23-L29 HydrophobicContact CB-CD1 3.6Å; M23-L29 HydrophobicContact CB-CG 3.82Å; M23-L29 HydrophobicContact CE-CD1 4.03Å; M23-L29 HydrophobicContact CE-CD2 3.91Å; M23-L29 HydrophobicContact CE-CG 3.85Å; M23-L29 HydrophobicContact CG-CD1 4.43Å; M23-L29 PolarHBondContact O-N 3.03Å; M23-L29 HydrophobicContact SD-CD1 3.99Å; M23-L29 HydrophobicContact SD-CG 4.43Å
24L96.3Very high96.1Very high41 Ų4177.3 Ų77.322%0.21542%0.421CS..Hα-helixtrans-66-44.7172.9-78.7171.7000111.6L20 D21 E22 H26 N27 L29 D34L20-L24 WeakPolarHBondContact O-CG 3.4Å; L20-L24 PolarHBondContact O-N 3.35Å; D21-L24 PolarHBondContact O-N 3.29Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 2.99Å; L24-H26 PolarHBondContact O-N 2.86Å; L24-N27 PolarHBondContact O-N 3Å; L24-L29 HydrophobicContact CD2-CB 3.8Å; L24-L29 HydrophobicContact CG-CB 4.22Å; L24-D34 HydrophobicContact CD1-CB 3.73Å
25A95.8Very high96Very high77 Ų7781 Ų8164%0.63644%0.435SS*.Hα-helixtrans-60.2-33.9177.900000112.3D21 E22 N27D21-A25 WeakPolarHBondContact O-CB 3.49Å; D21-A25 PolarHBondContact O-N 3.36Å; E22-A25 WeakPolarHBondContact O-CB 3.5Å; E22-A25 PolarHBondContact O-N 3.17Å; E22-A25 VanDerWaalsContact O-N 3.17Å; A25-N27 VanDerWaalsContact C-N 3.31Å; A25-N27 PolarHBondContact O-N 2.84Å
26H97.2Very high95.9Very high119 Ų11983.8 Ų83.855%0.55144%0.441SS*.THydrogen-bonded Turntrans-86.17.9175.2-68.8-64.8000114.6E22 L24 L28E22-H26 PolarHBondContact O-CD2 3.32Å; E22-H26 PolarHBondContact O-N 3.17Å; L24-H26 PolarHBondContact O-N 2.86Å; H26-L28 HydrophobicContact CB-CD1 4.1Å; H26-L28 HydrophobicContact CB-CG 3.88Å; H26-L28 PolarHBondContact O-N 2.67Å; H26-L28 VanDerWaalsContact O-N 3.17Å
27N95.3Very high95.8Very high147 Ų14784.1 Ų84.179%0.78645%0.445SS*.THydrogen-bonded Turntrans55.725.5-175.7-57.2-75.3000114M23 L24 A25 L29M23-N27 PolarHBondContact O-N 2.85Å; L24-N27 PolarHBondContact O-N 3Å; A25-N27 VanDerWaalsContact C-N 3.31Å; A25-N27 PolarHBondContact O-N 2.84Å; N27-L29 VanDerWaalsContact C-N 3.3Å
28L96.6Very high95.8Very high117 Ų11780.3 Ų80.361%0.61343%0.431SS*.SBendtrans-80-18.5174.8-58.1178.1000111.7M23 H26M23-L28 HydrophobicContact CB-CB 4.2Å; M23-L28 HydrophobicContact CE-CB 4.42Å; M23-L28 HydrophobicContact CG-CD1 4.41Å; M23-L28 WeakPolarHBondContact O-CB 3.21Å; M23-L28 PolarHBondContact O-N 2.86Å; H26-L28 HydrophobicContact CB-CD1 4.1Å; H26-L28 HydrophobicContact CB-CG 3.88Å; H26-L28 PolarHBondContact O-N 2.67Å; H26-L28 VanDerWaalsContact O-N 3.17Å
29L94.9Very high95.7Very high42 Ų4280.2 Ų80.222%0.2243%0.431CS..SBendtrans-124.5146.3176-66.8176000110.8L20 M23 L24 N27 M33L20-L29 HydrophobicContact CD2-CD1 3.72Å; M23-L29 HydrophobicContact CB-CD1 3.6Å; M23-L29 HydrophobicContact CB-CG 3.82Å; M23-L29 HydrophobicContact CE-CD1 4.03Å; M23-L29 HydrophobicContact CE-CD2 3.91Å; M23-L29 HydrophobicContact CE-CG 3.85Å; M23-L29 HydrophobicContact CG-CD1 4.43Å; M23-L29 PolarHBondContact O-N 3.03Å; M23-L29 HydrophobicContact SD-CD1 3.99Å; M23-L29 HydrophobicContact SD-CG 4.43Å; L24-L29 HydrophobicContact CD2-CB 3.8Å; L24-L29 HydrophobicContact CG-CB 4.22Å; N27-L29 VanDerWaalsContact C-N 3.3Å; L29-M33 HydrophobicContact CB-CB 4.4Å
30Q94Very high95.6Very high145 Ų14583.9 Ų83.968%0.67844%0.439SS*.  trans-73.6146.4169.5-66.9-179.43.600110.4G32 M33Q30-G32 PolarHBondContact O-N 2.86Å; Q30-M33 HydrophobicContact CB-CG 3.99Å; Q30-M33 VanDerWaalsContact O-CB 3.31Å; Q30-M33 WeakPolarHBondContact O-CB 3.25Å; Q30-M33 WeakPolarHBondContact O-CG 3.48Å; Q30-M33 PolarHBondContact O-N 3.35Å; Q30-M33 VanDerWaalsContact O-N 3.08Å
31P91.6Very high95.5Very high123 Ų12384.4 Ų84.480%0.79944%0.441SS*.THydrogen-bonded Turntrans-51.2133174.4-27.234.9000112.3M33P31-M33 VanDerWaalsContact C-N 3.34Å
32G91.8Very high95.5Very high30 Ų3081.2 Ų81.231%0.30942%0.424SS..THydrogen-bonded Turntrans85.5-5.6-179.200000115.2Q30 D34 H35Q30-G32 PolarHBondContact O-N 2.86Å; G32-D34 VanDerWaalsContact C-OD1 3.23Å; G32-D34 WeakPolarHBondContact CA-OD1 3.26Å; G32-D34 PolarHBondContact N-OD1 3.47Å; G32-H35 PolarHBondContact O-N 2.99Å
33M94.2Very high95.2Very high56 Ų5680.3 Ų80.328%0.27642%0.419SS..Hα-helixtrans-67.2-38.5171.4-72.5-5996.400112.4L29 Q30 P31 H35 K36 V37L29-M33 HydrophobicContact CB-CB 4.4Å; Q30-M33 HydrophobicContact CB-CG 3.99Å; Q30-M33 VanDerWaalsContact O-CB 3.31Å; Q30-M33 WeakPolarHBondContact O-CB 3.25Å; Q30-M33 WeakPolarHBondContact O-CG 3.48Å; Q30-M33 PolarHBondContact O-N 3.35Å; Q30-M33 VanDerWaalsContact O-N 3.08Å; P31-M33 VanDerWaalsContact C-N 3.34Å; M33-H35 VanDerWaalsContact C-N 3.26Å; M33-H35 PolarHBondContact O-N 3.15Å; M33-K36 HydrophobicContact CE-CD 3.66Å; M33-K36 HydrophobicContact CE-CG 4.48Å; M33-K36 WeakPolarHBondContact O-CB 3.35Å; M33-K36 PolarHBondContact O-N 3.15Å; M33-K36 VanDerWaalsContact O-N 3.1Å; M33-K36 HydrophobicContact SD-CD 4.33Å; M33-V37 WeakPolarHBondContact O-CG2 3.4Å; M33-V37 PolarHBondContact O-N 3.36Å
34D94.7Very high95.1Very high24 Ų2479.9 Ų79.913%0.12842%0.423CS..Hα-helixtrans-50-45.7171.963.8-43.4000112L20 L24 G32 K36 V37 M38L20-D34 HydrophobicContact CB-CB 4.12Å; L20-D34 HydrophobicContact CD1-CB 4.4Å; L24-D34 HydrophobicContact CD1-CB 3.73Å; G32-D34 VanDerWaalsContact C-OD1 3.23Å; G32-D34 WeakPolarHBondContact CA-OD1 3.26Å; G32-D34 PolarHBondContact N-OD1 3.47Å; D34-K36 PolarHBondContact O-N 2.83Å; D34-V37 PolarHBondContact O-N 2.97Å; D34-M38 WeakPolarHBondContact O-CG 3.24Å; D34-M38 PolarHBondContact O-N 3.1Å
35H94.9Very high95Very high119 Ų11979.1 Ų79.155%0.55142%0.419SS*.Hα-helixtrans-62.4-42.2179.1-68.273.3000111.7G32 M33 M38 Q39G32-H35 PolarHBondContact O-N 2.99Å; M33-H35 VanDerWaalsContact C-N 3.26Å; M33-H35 PolarHBondContact O-N 3.15Å; H35-M38 PolarHBondContact O-N 3.12Å; H35-Q39 WeakPolarHBondContact O-CB 3.39Å; H35-Q39 VanDerWaalsContact O-CG 3.3Å; H35-Q39 WeakPolarHBondContact O-CG 3.45Å; H35-Q39 PolarHBondContact O-N 3.37Å
36K95.4Very high94.8Very high132 Ų13276.3 Ų76.357%0.57439%0.394SS*.Hα-helixtrans-65.3-40.6176.9-65.1-173.6-175.3-179.30111.5M33 D34 Q39 K40M33-K36 HydrophobicContact CE-CD 3.66Å; M33-K36 HydrophobicContact CE-CG 4.48Å; M33-K36 WeakPolarHBondContact O-CB 3.35Å; M33-K36 PolarHBondContact O-N 3.15Å; M33-K36 VanDerWaalsContact O-N 3.1Å; M33-K36 HydrophobicContact SD-CD 4.33Å; D34-K36 PolarHBondContact O-N 2.83Å; K36-Q39 PolarHBondContact O-N 3.11Å; K36-K40 PolarHBondContact O-N 3.47Å
37V97.1Very high94.6Very high59 Ų5974.7 Ų74.736%0.35839%0.39SS..Hα-helixtrans-64.2-44.8175.9177.80000110.4L16 L20 M33 D34 Q39 K40 F41L16-V37 HydrophobicContact CD1-CG1 4.44Å; L16-V37 HydrophobicContact CD2-CG1 4.45Å; L20-V37 HydrophobicContact CD1-CB 3.91Å; L20-V37 HydrophobicContact CD1-CG1 3.8Å; L20-V37 HydrophobicContact CD2-CB 4.14Å; L20-V37 HydrophobicContact CD2-CG1 4.09Å; L20-V37 HydrophobicContact CD2-CG2 4.16Å; M33-V37 WeakPolarHBondContact O-CG2 3.4Å; M33-V37 PolarHBondContact O-N 3.36Å; D34-V37 PolarHBondContact O-N 2.97Å; V37-Q39 PolarHBondContact O-N 3.27Å; V37-K40 WeakPolarHBondContact O-CB 3.38Å; V37-K40 PolarHBondContact O-N 2.82Å; V37-K40 VanDerWaalsContact O-N 3.12Å; V37-F41 WeakPolarHBondContact O-CB 3.38Å; V37-F41 PolarHBondContact O-N 3.23Å
38M96.3Very high94.5Very high8 Ų868.9 Ų68.94%0.03936%0.362CS..Hα-helixtrans-64.8-38.8177.9-70.4-54.1-56.100112.7R8 L16 L20 D34 H35 K40 F41 D42R8-M38 HydrophobicContact CB-CE 4.01Å; R8-M38 HydrophobicContact CG-CE 3.53Å; L16-M38 HydrophobicContact CD2-SD 4.03Å; L16-M38 HydrophobicContact CG-SD 4.15Å; L20-M38 HydrophobicContact CD1-CG 4.05Å; L20-M38 HydrophobicContact CD1-SD 3.93Å; D34-M38 WeakPolarHBondContact O-CG 3.24Å; D34-M38 PolarHBondContact O-N 3.1Å; H35-M38 PolarHBondContact O-N 3.12Å; M38-K40 VanDerWaalsContact C-N 3.3Å; M38-K40 PolarHBondContact O-N 3.36Å; M38-F41 HydrophobicContact CE-CD1 3.93Å; M38-F41 HydrophobicContact CE-CE1 4.47Å; M38-F41 WeakPolarHBondContact O-CB 3.3Å; M38-F41 PolarHBondContact O-N 3.04Å; M38-D42 PolarHBondContact O-N 3.26Å
39Q95.3Very high94.3Very high116 Ų11666.5 Ų66.554%0.54235%0.349SS..Hα-helixtrans-62.1-38.6171.7-76175.7-19.500111.9H35 K36 V37H35-Q39 WeakPolarHBondContact O-CB 3.39Å; H35-Q39 VanDerWaalsContact O-CG 3.3Å; H35-Q39 WeakPolarHBondContact O-CG 3.45Å; H35-Q39 PolarHBondContact O-N 3.37Å; K36-Q39 PolarHBondContact O-N 3.11Å; V37-Q39 PolarHBondContact O-N 3.27Å
40K95.8Very high94Very high121 Ų12168.4 Ų68.453%0.52637%0.372SS..Hα-helixtrans-69.7-39176.3-169.559.8176.8179.50111.6K36 V37 M38 D42 Q43 C44K36-K40 PolarHBondContact O-N 3.47Å; V37-K40 WeakPolarHBondContact O-CB 3.38Å; V37-K40 PolarHBondContact O-N 2.82Å; V37-K40 VanDerWaalsContact O-N 3.12Å; M38-K40 VanDerWaalsContact C-N 3.3Å; M38-K40 PolarHBondContact O-N 3.36Å; K40-D42 PolarHBondContact O-N 3.09Å; K40-Q43 PolarHBondContact O-N 2.98Å; K40-C44 WeakPolarHBondContact O-CB 3.29Å; K40-C44 PolarHBondContact O-N 3.39Å; K40-C44 PolarHBondContact O-SG 2.9Å
41F97.1Very high94Very high22 Ų2269 Ų6910%0.09637%0.372CS..Hα-helixtrans-55.2-50.2173.8168.2-97.6000111.2R8 L12 L16 V37 M38 Q43 C44 I45R8-F41 HydrophobicContact CG-CD1 4.26Å; R8-F41 HydrophobicContact CG-CE1 4.21Å; L12-F41 HydrophobicContact CD2-CE2 3.97Å; L12-F41 HydrophobicContact CG-CE2 3.99Å; L16-F41 HydrophobicContact CD2-CB 3.86Å; L16-F41 HydrophobicContact CD2-CD2 3.66Å; L16-F41 HydrophobicContact CD2-CE2 4.42Å; L16-F41 HydrophobicContact CD2-CG 3.84Å; V37-F41 WeakPolarHBondContact O-CB 3.38Å; V37-F41 PolarHBondContact O-N 3.23Å; M38-F41 HydrophobicContact CE-CD1 3.93Å; M38-F41 HydrophobicContact CE-CE1 4.47Å; M38-F41 WeakPolarHBondContact O-CB 3.3Å; M38-F41 PolarHBondContact O-N 3.04Å; F41-Q43 VanDerWaalsContact C-N 3.26Å; F41-Q43 PolarHBondContact O-N 3.5Å; F41-C44 PolarHBondContact O-N 2.93Å; F41-I45 HydrophobicContact CD1-CG2 4.36Å; F41-I45 HydrophobicContact CD2-CB 4.47Å; F41-I45 HydrophobicContact CE1-CG2 4.02Å; F41-I45 HydrophobicContact CE2-CB 4.04Å; F41-I45 HydrophobicContact CE2-CG1 4.31Å; F41-I45 HydrophobicContact CE2-CG2 4.41Å; F41-I45 HydrophobicContact CZ-CB 4.08Å; F41-I45 HydrophobicContact CZ-CG1 4.15Å; F41-I45 HydrophobicContact CZ-CG2 4.05Å; F41-I45 VanDerWaalsContact O-CG2 3.24Å; F41-I45 WeakPolarHBondContact O-CG2 3.43Å; F41-I45 PolarHBondContact O-N 3.07Å
42D95.2Very high94.1Very high12 Ų1272.6 Ų72.66%0.06437%0.37CS..Hα-helixtrans-51.8-43.8179.3-68.2-16.4000112.6H4 R8 M38 K40 S46H4-D42 HydrophobicContact CB-CB 3.77Å; R8-D42 WeakPolarHBondContact CG-OD1 3.47Å; R8-D42 IonicContact CZ-OD1 3.79Å; R8-D42 IonicContact CZ-OD2 3.24Å; R8-D42 VanDerWaalsContact CZ-OD2 3.24Å; R8-D42 VanDerWaalsContact NE-CG 3.33Å; R8-D42 IonicContact NE-OD1 2.85Å; R8-D42 PolarHBondContact NE-OD1 3.49Å; R8-D42 IonicContact NE-OD2 3.88Å; R8-D42 PolarHBondContact NE-OD2 3.35Å; R8-D42 IonicContact NH2-OD1 2.65Å; R8-D42 IonicContact NH2-OD2 3.04Å; R8-D42 PolarHBondContact NH2-OD2 3.05Å; M38-D42 PolarHBondContact O-N 3.26Å; K40-D42 PolarHBondContact O-N 3.09Å; D42-S46 WeakPolarHBondContact O-CB 3.39Å
43Q93Very high94.1Very high104 Ų10474.6 Ų74.649%0.48638%0.376SS..Hα-helixtrans-69.2-45.1176.9-62.8174.49.900112K40 F41 N47K40-Q43 PolarHBondContact O-N 2.98Å; F41-Q43 VanDerWaalsContact C-N 3.26Å; F41-Q43 PolarHBondContact O-N 3.5Å; Q43-N47 WeakPolarHBondContact O-CB 3.37Å; Q43-N47 PolarHBondContact O-N 3.11Å; Q43-N47 PolarHBondContact O-ND2 3.08Å
44C95.1Very high93.9Very high64 Ų6480 Ų8043%0.43240%0.398SS..Hα-helixtrans-69.9-45.1-174-73.20000112.1K40 F41 N47 A48K40-C44 WeakPolarHBondContact O-CB 3.29Å; K40-C44 PolarHBondContact O-N 3.39Å; K40-C44 PolarHBondContact O-SG 2.9Å; F41-C44 PolarHBondContact O-N 2.93Å; C44-N47 PolarHBondContact O-N 3.22Å; C44-A48 VanDerWaalsContact O-CB 3.3Å; C44-A48 WeakPolarHBondContact O-CB 3.49Å; C44-A48 PolarHBondContact O-N 3.46Å
45I94.6Very high93.7Very high25 Ų2584.2 Ų84.213%0.12842%0.42CS..Hα-helixtrans-66-43.5-176.9-169.957.5000111.2Y7 L12 F41 N47 A48 L49Y7-I45 HydrophobicContact CD1-CG1 4.3Å; Y7-I45 HydrophobicContact CD2-CG2 3.61Å; Y7-I45 HydrophobicContact CE2-CG2 4.42Å; Y7-I45 HydrophobicContact CG-CG1 4.1Å; Y7-I45 HydrophobicContact CG-CG2 3.73Å; L12-I45 HydrophobicContact CD2-CD1 3.95Å; F41-I45 HydrophobicContact CD1-CG2 4.36Å; F41-I45 HydrophobicContact CD2-CB 4.47Å; F41-I45 HydrophobicContact CE1-CG2 4.02Å; F41-I45 HydrophobicContact CE2-CB 4.04Å; F41-I45 HydrophobicContact CE2-CG1 4.31Å; F41-I45 HydrophobicContact CE2-CG2 4.41Å; F41-I45 HydrophobicContact CZ-CB 4.08Å; F41-I45 HydrophobicContact CZ-CG1 4.15Å; F41-I45 HydrophobicContact CZ-CG2 4.05Å; F41-I45 VanDerWaalsContact O-CG2 3.24Å; F41-I45 WeakPolarHBondContact O-CG2 3.43Å; F41-I45 PolarHBondContact O-N 3.07Å; I45-N47 VanDerWaalsContact C-N 3.33Å; I45-N47 PolarHBondContact O-N 2.66Å; I45-A48 PolarHBondContact O-N 3.31Å; I45-L49 HydrophobicContact CD1-CD1 4.2Å; I45-L49 HydrophobicContact CD1-CG 4.15Å; I45-L49 HydrophobicContact CG1-CD1 4.01Å; I45-L49 HydrophobicContact CG1-CG 4.39Å; I45-L49 WeakPolarHBondContact O-CB 3.48Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.48Å; I45-L49 PolarHBondContact O-N 3.4Å
46S90.3Very high93.4Very high18 Ų1886.9 Ų86.913%0.12643%0.425CS..Hα-helixtrans-61.2-42.9177.3-170.90000111.7H4 D42 A50H4-S46 PolarHBondContact CE1-OG 3.09Å; H4-S46 VanDerWaalsContact CE1-OG 3.32Å; H4-S46 VanDerWaalsContact ND1-CB 3.26Å; H4-S46 WeakPolarHBondContact ND1-CB 2.99Å; H4-S46 PolarHBondContact ND1-OG 3.02Å; H4-S46 VanDerWaalsContact ND1-OG 3.12Å; D42-S46 WeakPolarHBondContact O-CB 3.39Å; S46-A50 WeakPolarHBondContact O-CB 3.48Å; S46-A50 PolarHBondContact O-N 2.84Å; S46-A50 VanDerWaalsContact O-N 3.15Å
47N92.3Very high93.2Very high84 Ų8485.2 Ų85.245%0.44942%0.422SS..Hα-helixtrans-68.1-41.3177.1-79.8-45.3000112.4Q43 C44 I45 A50 K51Q43-N47 WeakPolarHBondContact O-CB 3.37Å; Q43-N47 PolarHBondContact O-N 3.11Å; Q43-N47 PolarHBondContact O-ND2 3.08Å; C44-N47 PolarHBondContact O-N 3.22Å; I45-N47 VanDerWaalsContact C-N 3.33Å; I45-N47 PolarHBondContact O-N 2.66Å; N47-A50 PolarHBondContact O-N 3.42Å; N47-K51 WeakPolarHBondContact O-CB 3.25Å; N47-K51 PolarHBondContact O-N 2.91Å
48A93.8Very high93Very high25 Ų2584.8 Ų84.821%0.20742%0.422CS..Hα-helixtrans-64-46.8179.600000111.3C44 I45 A50 R52 V53C44-A48 VanDerWaalsContact O-CB 3.3Å; C44-A48 WeakPolarHBondContact O-CB 3.49Å; C44-A48 PolarHBondContact O-N 3.46Å; I45-A48 PolarHBondContact O-N 3.31Å; A48-A50 PolarHBondContact O-N 2.94Å; A48-R52 WeakPolarHBondContact O-CA 3.42Å; A48-R52 VanDerWaalsContact O-CB 3.25Å; A48-R52 WeakPolarHBondContact O-CB 3.46Å; A48-R52 PolarHBondContact O-N 3.04Å; A48-V53 PolarHBondContact O-N 3.03Å
49L91.8Very high92.9Very high67 Ų6787 Ų8735%0.35143%0.433SS..Hα-helixtrans-63.4-40.9178-67.3174.6000111.9Y7 I45 V53Y7-L49 HydrophobicContact CD1-CD1 3.82Å; Y7-L49 HydrophobicContact CE1-CD1 3.14Å; Y7-L49 HydrophobicContact CE2-CD1 4.34Å; Y7-L49 VanDerWaalsContact CZ-CD1 3.42Å; Y7-L49 WeakPolarHBondContact OH-CD1 3.31Å; I45-L49 HydrophobicContact CD1-CD1 4.2Å; I45-L49 HydrophobicContact CD1-CG 4.15Å; I45-L49 HydrophobicContact CG1-CD1 4.01Å; I45-L49 HydrophobicContact CG1-CG 4.39Å; I45-L49 WeakPolarHBondContact O-CB 3.48Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.48Å; I45-L49 PolarHBondContact O-N 3.4Å; L49-V53 HydrophobicContact CD2-CG2 3.87Å
50A89.4Confident93Very high83 Ų8389.7 Ų89.769%0.68644%0.439SS*.Hα-helixtrans-71.1-38.8-179.700000113.8S46 N47 A48S46-A50 WeakPolarHBondContact O-CB 3.48Å; S46-A50 PolarHBondContact O-N 2.84Å; S46-A50 VanDerWaalsContact O-N 3.15Å; N47-A50 PolarHBondContact O-N 3.42Å; A48-A50 PolarHBondContact O-N 2.94Å
51K93.3Very high93Very high158 Ų15885.7 Ų85.769%0.68743%0.432SS*.Hα-helixtrans-104.1-27.8-169.3-63-177.6178.3179.20114.4N47N47-K51 WeakPolarHBondContact O-CB 3.25Å; N47-K51 PolarHBondContact O-N 2.91Å
52R94.6Very high93Very high198 Ų19890.7 Ų90.775%0.74746%0.455SS*.THydrogen-bonded Turntrans-108.6-29.9-170.2-57.6173.760.9-158.4-2.3112.9A48 K54A48-R52 WeakPolarHBondContact O-CA 3.42Å; A48-R52 VanDerWaalsContact O-CB 3.25Å; A48-R52 WeakPolarHBondContact O-CB 3.46Å; A48-R52 PolarHBondContact O-N 3.04Å; R52-K54 PolarHBondContact O-N 3.27Å
53V92.2Very high93.1Very high72 Ų7295.1 Ų95.144%0.43648%0.478SS..  trans-84.598.7-178.6-177.80000110.9A48 L49 R56A48-V53 PolarHBondContact O-N 3.03Å; L49-V53 HydrophobicContact CD2-CG2 3.87Å; V53-R56 PolarHBondContact O-NH1 3.4Å; V53-R56 VanDerWaalsContact O-NH1 3.07Å
54K90.4Very high93.3Very high170 Ų17094.8 Ų94.874%0.73948%0.48SS*.  trans-97.4-23.6179.4-64-175.9179.6-178.70113.5R52 R56R52-K54 PolarHBondContact O-N 3.27Å; K54-R56 PolarHBondContact O-NH1 3.47Å; K54-R56 VanDerWaalsContact O-NH1 3.12Å
55N90Very high93.4Very high112 Ų11294.2 Ų94.260%0.59948%0.475SS*.  trans-59.7141.9179.3-64.434.3000109.7
56R88.8Confident93.4Very high175 Ų17599.8 Ų99.866%0.6650%0.495SS*.  trans-128.3134.6178.2-66.2-64.2179.9-88.81.2107.8V53 K54V53-R56 PolarHBondContact O-NH1 3.4Å; V53-R56 VanDerWaalsContact O-NH1 3.07Å; K54-R56 PolarHBondContact O-NH1 3.47Å; K54-R56 VanDerWaalsContact O-NH1 3.12Å
57L91.4Very high93.6Very high97 Ų97106.5 Ų106.551%0.50852%0.517SS..  trans-113.2135.8177.9-179.6150.1000107.2L59 I82L57-L59 HydrophobicContact CD2-CD2 3.48Å; L57-L59 VanDerWaalsContact CD2-CD2 3.48Å; L57-L59 HydrophobicContact CD2-CG 3.86Å; L57-I82 HydrophobicContact CD1-CG2 3.57Å; L57-I82 HydrophobicContact CD2-CG2 3.55Å; L57-I82 HydrophobicContact CG-CG2 3.56Å
58S93.1Very high93.7Very high50 Ų50105.6 Ų105.635%0.3551%0.513SS..EExtended strand (participates in β ladder)trans-112.8136.4177.959.30000110.1I82 K83S58-I82 WeakPolarHBondContact O-CA 3.25Å; S58-K83 PolarHBondContact N-O 2.84Å; S58-K83 PolarHBondContact O-N 3.38Å; S58-K83 WeakPolarHBondContact OG-CB 3.41Å; S58-K83 PolarHBondContact OG-O 2.88Å
59L94.1Very high93.7Very high53 Ų53107.2 Ų107.228%0.27752%0.522SS..EExtended strand (participates in β ladder)trans-110.6127.4177.2-58.9177.2000108.3L57 L75 M77 V80 I82L57-L59 HydrophobicContact CD2-CD2 3.48Å; L57-L59 VanDerWaalsContact CD2-CD2 3.48Å; L57-L59 HydrophobicContact CD2-CG 3.86Å; L59-L75 HydrophobicContact CD1-CD2 4.39Å; L59-M77 HydrophobicContact CB-SD 4.38Å; L59-V80 HydrophobicContact CB-CG1 4.3Å; L59-V80 HydrophobicContact CD2-CG1 4.13Å; L59-I82 HydrophobicContact CD2-CB 4.1Å; L59-I82 HydrophobicContact CD2-CD1 4.23Å; L59-I82 HydrophobicContact CD2-CG1 3.6Å; L59-I82 HydrophobicContact CD2-CG2 3.94Å
60R95.6Very high93.6Very high174 Ų174110.8 Ų110.866%0.65754%0.541SS*.EExtended strand (participates in β ladder)trans-130.4134.4172.4-67.8-176.5175.7-157.4-3.1108.8V80 E81R60-V80 CarbonylContact O-C 3.41Å; R60-V80 WeakPolarHBondContact O-CA 3.39Å; R60-E81 HydrophobicContact CB-CB 4.4Å; R60-E81 PolarHBondContact N-O 2.86Å; R60-E81 PolarHBondContact O-N 2.81Å
61G96.2Very high93.5Very high37 Ų37112.9 Ų112.938%0.38154%0.541SS..EExtended strand (participates in β ladder)trans168.1-168.4-179.800000110.5D79G61-D79 WeakPolarHBondContact CA-O 3.41Å
62H97.6Very high93.4Very high126 Ų126108.1 Ų108.158%0.58353%0.525SS*.EExtended strand (participates in β ladder)trans-87.9114.1179.1-63.3-62.1000110.6N64 M77 N78 D79H62-N64 PolarHBondContact O-N 3.03Å; H62-M77 CarbonylContact O-C 3.54Å; H62-M77 WeakPolarHBondContact O-CA 3.37Å; H62-N78 PolarHBondContact N-O 3.03Å; H62-N78 PolarHBondContact O-N 3.2Å; H62-D79 IonicContact CD2-OD2 3.57Å
63L97.2Very high93.3Very high106 Ų106101.5 Ų101.556%0.55550%0.5SS*.EExtended strand (participates in β ladder)trans-69.3123.7174.5-178.465.2000110.4L75 M77L63-L75 HydrophobicContact CD1-CD1 3.52Å; L63-M77 HydrophobicContact CD1-CG 3.9Å
64N97.1Very high93.4Very high97 Ų9799.8 Ų99.852%0.51949%0.49SS..EExtended strand (participates in β ladder)trans-101.6-49.7175.3-172.40.9000111H62 V76H62-N64 PolarHBondContact O-N 3.03Å; N64-V76 WeakPolarHBondContact CA-O 3.46Å; N64-V76 HydrophobicContact CB-CB 4.31Å; N64-V76 HydrophobicContact CB-CG1 4.09Å; N64-V76 WeakPolarHBondContact CB-O 3.34Å; N64-V76 PolarHBondContact N-O 3.32Å
65T96.5Very high93.7Very high52 Ų5292.8 Ų92.832%0.31946%0.46SS..EExtended strand (participates in β ladder)trans-135.8130.4-179.2-52.10000110.3R67 T74 L75 V76T65-R67 HydrophobicContact CG2-CB 4.33Å; T65-T74 HydrophobicContact CG2-CG2 4.1Å; T65-L75 CarbonylContact O-C 3.55Å; T65-L75 WeakPolarHBondContact O-CA 3.21Å; T65-V76 PolarHBondContact N-O 3.03Å; T65-V76 PolarHBondContact O-N 3.22Å
66Y94.9Very high94Very high141 Ų14188.3 Ų88.355%0.55344%0.437SS*.EExtended strand (participates in β ladder)trans-136.6108.2164.2-177.9-122.6000108.9W73 T74 L75Y66-W73 HydrophobicContact CE1-CZ3 4.12Å; Y66-W73 AromaticContact CE2-CE3 3.88Å; Y66-W73 HydrophobicContact CE2-CE3 3.88Å; Y66-W73 HydrophobicContact CE2-CZ3 4.04Å; Y66-W73 AromaticContact CZ-CE3 3.96Å; Y66-W73 AromaticContact CZ-CZ3 3.63Å; Y66-W73 WeakPolarHBondContact OH-CZ3 3.35Å; Y66-T74 WeakPolarHBondContact CA-O 3.48Å; Y66-L75 HydrophobicContact CD2-CD1 3.95Å
67R95.3Very high94.4Very high159 Ų15980.8 Ų80.860%0.641%0.41SS*.EExtended strand (participates in β ladder)trans-145.3146.7-172.7-175.5174.8178.7177.2-0.1111.5T65 W73 T74T65-R67 HydrophobicContact CG2-CB 4.33Å; R67-W73 CarbonylContact O-C 3.57Å; R67-W73 WeakPolarHBondContact O-CA 3.17Å; R67-T74 PolarHBondContact N-O 3.19Å; R67-T74 PolarHBondContact O-N 2.77Å
68N94.2Very high94.7Very high66 Ų6678.6 Ų78.635%0.35340%0.398SS..EExtended strand (participates in β ladder)trans-110.3129.6163.6-175.7-2.6000109N71 V72 W73N68-N71 WeakPolarHBondContact OD1-CA 3.33Å; N68-N71 PolarHBondContact OD1-N 3.07Å; N68-V72 WeakPolarHBondContact CA-O 3.38Å; N68-W73 HydrophobicContact CB-CD2 3.84Å; N68-W73 HydrophobicContact CB-CE3 3.7Å; N68-W73 HydrophobicContact CB-CH2 3.76Å; N68-W73 HydrophobicContact CB-CZ2 3.88Å; N68-W73 HydrophobicContact CB-CZ3 3.67Å; N68-W73 VanDerWaalsContact ND2-CZ2 3.29Å; N68-W73 WeakPolarHBondContact ND2-CZ2 3.34Å
69C93.2Very high94.9Very high58 Ų5881.1 Ų81.139%0.39241%0.408SS..EExtended strand (participates in β ladder)trans-139129.4169.4-163.90000108.3N71 V72C69-N71 PolarHBondContact O-N 2.92Å; C69-N71 VanDerWaalsContact O-N 3.15Å; C69-V72 PolarHBondContact N-O 2.99Å; C69-V72 WeakPolarHBondContact O-CA 3.41Å; C69-V72 WeakPolarHBondContact O-CB 3.4Å; C69-V72 PolarHBondContact O-N 3.12Å
70D91.4Very high95.1Very high143 Ų14378.7 Ų78.777%0.76540%0.395SS*.THydrogen-bonded Turntrans51.937.8178.1-53.7-41.3000114.4V72D70-V72 PolarHBondContact O-N 3.23Å
71N86.3Confident95.2Very high127 Ų12773.6 Ų73.668%0.67938%0.379SS*.THydrogen-bonded Turntrans63.115.1-174.8-53.4-59000114.8N68 C69N68-N71 WeakPolarHBondContact OD1-CA 3.33Å; N68-N71 PolarHBondContact OD1-N 3.07Å; C69-N71 PolarHBondContact O-N 2.92Å; C69-N71 VanDerWaalsContact O-N 3.15Å
72V90.5Very high95.2Very high58 Ų5872.9 Ų72.935%0.35237%0.366SS..EExtended strand (participates in β ladder)trans-101.5120.4169.2-175.40000108.1N68 C69 D70 P99N68-V72 WeakPolarHBondContact CA-O 3.38Å; C69-V72 PolarHBondContact N-O 2.99Å; C69-V72 WeakPolarHBondContact O-CA 3.41Å; C69-V72 WeakPolarHBondContact O-CB 3.4Å; C69-V72 PolarHBondContact O-N 3.12Å; D70-V72 PolarHBondContact O-N 3.23Å; V72-P99 HydrophobicContact CG2-CG 4.46Å
73W92.6Very high95Very high58 Ų5871.6 Ų71.622%0.2236%0.359CS..EExtended strand (participates in β ladder)trans-87.1139.6172.8-68.991.1000109.8Y66 R67 N68 N97 S98 I101Y66-W73 HydrophobicContact CE1-CZ3 4.12Å; Y66-W73 AromaticContact CE2-CE3 3.88Å; Y66-W73 HydrophobicContact CE2-CE3 3.88Å; Y66-W73 HydrophobicContact CE2-CZ3 4.04Å; Y66-W73 AromaticContact CZ-CE3 3.96Å; Y66-W73 AromaticContact CZ-CZ3 3.63Å; Y66-W73 WeakPolarHBondContact OH-CZ3 3.35Å; R67-W73 CarbonylContact O-C 3.57Å; R67-W73 WeakPolarHBondContact O-CA 3.17Å; N68-W73 HydrophobicContact CB-CD2 3.84Å; N68-W73 HydrophobicContact CB-CE3 3.7Å; N68-W73 HydrophobicContact CB-CH2 3.76Å; N68-W73 HydrophobicContact CB-CZ2 3.88Å; N68-W73 HydrophobicContact CB-CZ3 3.67Å; N68-W73 VanDerWaalsContact ND2-CZ2 3.29Å; N68-W73 WeakPolarHBondContact ND2-CZ2 3.34Å; W73-N97 WeakPolarHBondContact O-CA 3.35Å; W73-S98 PolarHBondContact O-N 2.99Å; W73-I101 HydrophobicContact CB-CB 3.82Å; W73-I101 HydrophobicContact CB-CD1 4Å; W73-I101 HydrophobicContact CB-CG1 4.4Å; W73-I101 HydrophobicContact CB-CG2 4.31Å; W73-I101 WeakPolarHBondContact O-CD1 3.35Å
74T95.2Very high94.8Very high37 Ų3769.2 Ų69.223%0.22735%0.346CS..EExtended strand (participates in β ladder)trans-122.7123.7173.5-660000108.6T65 Y66 R67 V76 L96 N97T65-T74 HydrophobicContact CG2-CG2 4.1Å; Y66-T74 WeakPolarHBondContact CA-O 3.48Å; R67-T74 PolarHBondContact N-O 3.19Å; R67-T74 PolarHBondContact O-N 2.77Å; T74-V76 HydrophobicContact CG2-CG2 4.08Å; T74-L96 WeakPolarHBondContact CA-O 3.37Å; T74-N97 WeakPolarHBondContact CB-OD1 3.42Å; T74-N97 WeakPolarHBondContact CG2-OD1 3.48Å; T74-N97 PolarHBondContact OG1-OD1 2.82Å
75L95.6Very high94.3Very high22 Ų2269.5 Ų69.512%0.11536%0.356CS..EExtended strand (participates in β ladder)trans-122.3122.2172178.971.8000108.6L59 L63 T65 Y66 M77 S95 L96 I101L59-L75 HydrophobicContact CD1-CD2 4.39Å; L63-L75 HydrophobicContact CD1-CD1 3.52Å; T65-L75 CarbonylContact O-C 3.55Å; T65-L75 WeakPolarHBondContact O-CA 3.21Å; Y66-L75 HydrophobicContact CD2-CD1 3.95Å; L75-M77 HydrophobicContact CD1-CG 4.05Å; L75-M77 HydrophobicContact CD1-SD 4.2Å; L75-M77 HydrophobicContact CD2-SD 4.08Å; L75-M77 HydrophobicContact CG-CG 4.17Å; L75-M77 HydrophobicContact CG-SD 4.29Å; L75-S95 CarbonylContact O-C 3.58Å; L75-S95 WeakPolarHBondContact O-CA 3.43Å; L75-L96 HydrophobicContact CB-CB 4.28Å; L75-L96 HydrophobicContact CD2-CD1 4.01Å; L75-L96 PolarHBondContact N-O 2.82Å; L75-L96 PolarHBondContact O-N 2.88Å; L75-I101 HydrophobicContact CB-CD1 4.47Å
76V97.2Very high93.9Very high18 Ų1872.3 Ų72.311%0.10938%0.378CS..EExtended strand (participates in β ladder)trans-125.8124172.8-175.80000108.1N64 T65 T74 V94N64-V76 WeakPolarHBondContact CA-O 3.46Å; N64-V76 HydrophobicContact CB-CB 4.31Å; N64-V76 HydrophobicContact CB-CG1 4.09Å; N64-V76 WeakPolarHBondContact CB-O 3.34Å; N64-V76 PolarHBondContact N-O 3.32Å; T65-V76 PolarHBondContact N-O 3.03Å; T65-V76 PolarHBondContact O-N 3.22Å; T74-V76 HydrophobicContact CG2-CG2 4.08Å; V76-V94 WeakPolarHBondContact CA-O 3.21Å
77M97.5Very high93.8Very high18 Ų1868.2 Ų68.29%0.08937%0.373CS..EExtended strand (participates in β ladder)trans-131.8145.5177.8-61.8176.267.800109.6L59 H62 L63 L75 V80 K93 V94L59-M77 HydrophobicContact CB-SD 4.38Å; H62-M77 CarbonylContact O-C 3.54Å; H62-M77 WeakPolarHBondContact O-CA 3.37Å; L63-M77 HydrophobicContact CD1-CG 3.9Å; L75-M77 HydrophobicContact CD1-CG 4.05Å; L75-M77 HydrophobicContact CD1-SD 4.2Å; L75-M77 HydrophobicContact CD2-SD 4.08Å; L75-M77 HydrophobicContact CG-CG 4.17Å; L75-M77 HydrophobicContact CG-SD 4.29Å; M77-V80 HydrophobicContact CB-CG2 3.41Å; M77-V80 VanDerWaalsContact CB-CG2 3.41Å; M77-K93 CarbonylContact O-C 3.49Å; M77-K93 WeakPolarHBondContact O-CA 3.41Å; M77-V94 PolarHBondContact N-O 3Å; M77-V94 PolarHBondContact O-N 3.36Å
78N98.1Very high93.8Very high50 Ų5065.5 Ų65.527%0.26737%0.369SS..EExtended strand (participates in β ladder)trans-111.1157.3174.5-54.2-39.3000110.2H62 V80 D92H62-N78 PolarHBondContact N-O 3.03Å; H62-N78 PolarHBondContact O-N 3.2Å; N78-V80 VanDerWaalsContact C-N 3.33Å; N78-V80 PolarHBondContact O-N 2.86Å; N78-D92 CarbonylContact C-O 3.57Å; N78-D92 VanDerWaalsContact CA-O 3.24Å; N78-D92 WeakPolarHBondContact CA-O 3.4Å
79D97.8Very high93.9Very high104 Ų10467.5 Ų67.556%0.55638%0.378SS*.EExtended strand (participates in β ladder)trans48.853.9178.8-50.5-54000111.7G61 H62 D92G61-D79 WeakPolarHBondContact CA-O 3.41Å; H62-D79 IonicContact CD2-OD2 3.57Å; D79-D92 PolarHBondContact N-O 2.84Å
80V97.6Very high94Very high1 Ų170.3 Ų70.31%0.00639%0.393CS..EExtended strand (participates in β ladder)trans-90117.3-169.7-170.60000110.7L59 R60 M77 N78 I82 T90 V91 V94L59-V80 HydrophobicContact CB-CG1 4.3Å; L59-V80 HydrophobicContact CD2-CG1 4.13Å; R60-V80 CarbonylContact O-C 3.41Å; R60-V80 WeakPolarHBondContact O-CA 3.39Å; M77-V80 HydrophobicContact CB-CG2 3.41Å; M77-V80 VanDerWaalsContact CB-CG2 3.41Å; N78-V80 VanDerWaalsContact C-N 3.33Å; N78-V80 PolarHBondContact O-N 2.86Å; V80-I82 HydrophobicContact CG1-CG1 3.92Å; V80-T90 CarbonylContact O-C 3.48Å; V80-T90 WeakPolarHBondContact O-CA 3.24Å; V80-V91 PolarHBondContact N-O 2.96Å; V80-V91 PolarHBondContact O-N 2.86Å; V80-V94 HydrophobicContact CB-CG2 3.86Å; V80-V94 HydrophobicContact CG1-CG2 3.98Å; V80-V94 HydrophobicContact CG2-CB 4.07Å; V80-V94 HydrophobicContact CG2-CG2 3.88Å
81E97.2Very high94.3Very high68 Ų6865.7 Ų65.732%0.31837%0.371SS..EExtended strand (participates in β ladder)trans-81114.8158.9-169.1-172.4138.600109.2R60 I88R60-E81 HydrophobicContact CB-CB 4.4Å; R60-E81 PolarHBondContact N-O 2.86Å; R60-E81 PolarHBondContact O-N 2.81Å; E81-I88 HydrophobicContact CG-CG2 3.39Å; E81-I88 WeakPolarHBondContact OE1-CG2 3.32Å
82I95.6Very high94.8Very high21 Ų2166 Ų6611%0.10837%0.372CS..EExtended strand (participates in β ladder)trans-99.5116.9171.1-50.1176.9000107.4L57 S58 L59 V80 M89 V91 V94L57-I82 HydrophobicContact CD1-CG2 3.57Å; L57-I82 HydrophobicContact CD2-CG2 3.55Å; L57-I82 HydrophobicContact CG-CG2 3.56Å; S58-I82 WeakPolarHBondContact O-CA 3.25Å; L59-I82 HydrophobicContact CD2-CB 4.1Å; L59-I82 HydrophobicContact CD2-CD1 4.23Å; L59-I82 HydrophobicContact CD2-CG1 3.6Å; L59-I82 HydrophobicContact CD2-CG2 3.94Å; V80-I82 HydrophobicContact CG1-CG1 3.92Å; I82-M89 HydrophobicContact CB-CG 3.51Å; I82-M89 HydrophobicContact CB-SD 4.07Å; I82-M89 HydrophobicContact CD1-CG 4.25Å; I82-M89 HydrophobicContact CD1-SD 4.16Å; I82-M89 HydrophobicContact CG1-CG 4.24Å; I82-M89 HydrophobicContact CG2-CG 4.07Å; I82-M89 HydrophobicContact CG2-SD 4.07Å; I82-M89 PolarHBondContact N-O 2.84Å; I82-M89 WeakPolarHBondContact O-CG 3.4Å; I82-M89 PolarHBondContact O-N 3.22Å; I82-V91 HydrophobicContact CD1-CG2 3.8Å; I82-V91 HydrophobicContact CG1-CG2 4.45Å; I82-V94 HydrophobicContact CD1-CG2 4.06Å
83K95.2Very high95.2Very high99 Ų9969 Ų6943%0.4338%0.381SS..EExtended strand (participates in β ladder)trans-114.5121.3-180173.3176.1-174.1174.80110.7S58 I88S58-K83 PolarHBondContact N-O 2.84Å; S58-K83 PolarHBondContact O-N 3.38Å; S58-K83 WeakPolarHBondContact OG-CB 3.41Å; S58-K83 PolarHBondContact OG-O 2.88Å; K83-I88 HydrophobicContact CB-CG1 4.26Å; K83-I88 HydrophobicContact CD-CD1 4.43Å; K83-I88 HydrophobicContact CD-CG1 4.22Å; K83-I88 HydrophobicContact CG-CG1 4Å
84D91.6Very high95.3Very high56 Ų5667.2 Ų67.230%0.29938%0.376SS..  trans-104.6174.8167.1-170.714.8000109.6S86 A87D84-S86 PolarHBondContact O-N 2.83Å; D84-A87 PolarHBondContact N-O 3.2Å
85S87.7Confident95.3Very high104 Ų10468.3 Ų68.373%0.72739%0.385SS*.SBendtrans-60.4-28-176.3-540000113.4
86S88.5Confident95.3Very high111 Ų11170 Ų7078%0.77639%0.394SS*.SBendtrans-114.2-14.3-176.153.70000114.3D84D84-S86 PolarHBondContact O-N 2.83Å
87A92.6Very high95Very high54 Ų5474 Ų7445%0.44642%0.415SS..  trans-148.2147.6-16900000112.2D84D84-A87 PolarHBondContact N-O 3.2Å
88I94.4Very high94.6Very high102 Ų10274.7 Ų74.752%0.52342%0.421SS..EExtended strand (participates in β ladder)trans-113.4127.4167.1-62.1172.7000106.2E81 K83E81-I88 HydrophobicContact CG-CG2 3.39Å; E81-I88 WeakPolarHBondContact OE1-CG2 3.32Å; K83-I88 HydrophobicContact CB-CG1 4.26Å; K83-I88 HydrophobicContact CD-CD1 4.43Å; K83-I88 HydrophobicContact CD-CG1 4.22Å; K83-I88 HydrophobicContact CG-CG1 4Å
89M96Very high94.1Very high108 Ų10874.3 Ų74.353%0.53242%0.421SS..EExtended strand (participates in β ladder)trans-124.5138.9174.567-171.9-60.200109.1I82 V91I82-M89 HydrophobicContact CB-CG 3.51Å; I82-M89 HydrophobicContact CB-SD 4.07Å; I82-M89 HydrophobicContact CD1-CG 4.25Å; I82-M89 HydrophobicContact CD1-SD 4.16Å; I82-M89 HydrophobicContact CG1-CG 4.24Å; I82-M89 HydrophobicContact CG2-CG 4.07Å; I82-M89 HydrophobicContact CG2-SD 4.07Å; I82-M89 PolarHBondContact N-O 2.84Å; I82-M89 WeakPolarHBondContact O-CG 3.4Å; I82-M89 PolarHBondContact O-N 3.22Å; M89-V91 HydrophobicContact CE-CG2 4.22Å
90T96.5Very high93.6Very high117 Ų11770.4 Ų70.472%0.71840%0.401SS*.EExtended strand (participates in β ladder)trans-107.4134.717852.40000109.3V80V80-T90 CarbonylContact O-C 3.48Å; V80-T90 WeakPolarHBondContact O-CA 3.24Å
91V97Very high92.7Very high47 Ų4771 Ų7129%0.28540%0.404SS..EExtended strand (participates in β ladder)trans-136129.5-178.6-175.20000108.9V80 I82 M89 K93 V94V80-V91 PolarHBondContact N-O 2.96Å; V80-V91 PolarHBondContact O-N 2.86Å; I82-V91 HydrophobicContact CD1-CG2 3.8Å; I82-V91 HydrophobicContact CG1-CG2 4.45Å; M89-V91 HydrophobicContact CE-CG2 4.22Å; V91-K93 WeakPolarHBondContact CG1-O 3.43Å; V91-K93 PolarHBondContact O-N 2.83Å; V91-V94 HydrophobicContact CB-CG2 4.38Å; V91-V94 HydrophobicContact CG1-CG2 4.35Å
92D97.5Very high91.5Very high134 Ų13471.3 Ų71.372%0.71741%0.412SS*.EExtended strand (participates in β ladder)trans-59.8-33.2-177.7-58.9-18.6000112.9N78 D79N78-D92 CarbonylContact C-O 3.57Å; N78-D92 VanDerWaalsContact CA-O 3.24Å; N78-D92 WeakPolarHBondContact CA-O 3.4Å; D79-D92 PolarHBondContact N-O 2.84Å
93K97.3Very high90.3Very high121 Ų12176 Ų7653%0.52643%0.432SS..EExtended strand (participates in β ladder)trans-152.2130.8-179.5-173.1176.2179.4179.80112.4M77 V91 S95M77-K93 CarbonylContact O-C 3.49Å; M77-K93 WeakPolarHBondContact O-CA 3.41Å; V91-K93 WeakPolarHBondContact CG1-O 3.43Å; V91-K93 PolarHBondContact O-N 2.83Å; K93-S95 WeakPolarHBondContact CE-OG 3.21Å
94V96Very high89Confident20 Ų2079.2 Ų79.212%0.12145%0.452CS..EExtended strand (participates in β ladder)trans-111.1133.5168.5174.10000108.7V76 M77 V80 I82 V91 L96V76-V94 WeakPolarHBondContact CA-O 3.21Å; M77-V94 PolarHBondContact N-O 3Å; M77-V94 PolarHBondContact O-N 3.36Å; V80-V94 HydrophobicContact CB-CG2 3.86Å; V80-V94 HydrophobicContact CG1-CG2 3.98Å; V80-V94 HydrophobicContact CG2-CB 4.07Å; V80-V94 HydrophobicContact CG2-CG2 3.88Å; I82-V94 HydrophobicContact CD1-CG2 4.06Å; V91-V94 HydrophobicContact CB-CG2 4.38Å; V91-V94 HydrophobicContact CG1-CG2 4.35Å; V94-L96 HydrophobicContact CG1-CD2 4.24Å; V94-L96 HydrophobicContact CG1-CG 4.02Å
95S95.5Very high88.9Confident60 Ų6080.4 Ų80.442%0.4246%0.46SS..EExtended strand (participates in β ladder)trans-135.2113.7176.7-64.30000109.4L75 K93L75-S95 CarbonylContact O-C 3.58Å; L75-S95 WeakPolarHBondContact O-CA 3.43Å; K93-S95 WeakPolarHBondContact CE-OG 3.21Å
96L93.6Very high89Confident56 Ų5679.2 Ų79.229%0.29345%0.446SS..EExtended strand (participates in β ladder)trans-115131.2178.3-54.7178.8000108.7T74 L75 V94 I101 I104T74-L96 WeakPolarHBondContact CA-O 3.37Å; L75-L96 HydrophobicContact CB-CB 4.28Å; L75-L96 HydrophobicContact CD2-CD1 4.01Å; L75-L96 PolarHBondContact N-O 2.82Å; L75-L96 PolarHBondContact O-N 2.88Å; V94-L96 HydrophobicContact CG1-CD2 4.24Å; V94-L96 HydrophobicContact CG1-CG 4.02Å; L96-I101 VanDerWaalsContact C-CD1 3.48Å; L96-I101 HydrophobicContact CB-CD1 3.42Å; L96-I101 VanDerWaalsContact CB-CD1 3.42Å; L96-I101 HydrophobicContact CB-CG1 3.98Å; L96-I101 WeakPolarHBondContact O-CD1 3.38Å; L96-I104 HydrophobicContact CD1-CD1 4.44Å
97N92Very high89Confident104 Ų10477.4 Ų77.456%0.55643%0.427SS*.EExtended strand (participates in β ladder)trans-135.794.3175.7-65.5-68.9000108.9W73 T74W73-N97 WeakPolarHBondContact O-CA 3.35Å; T74-N97 WeakPolarHBondContact CB-OD1 3.42Å; T74-N97 WeakPolarHBondContact CG2-OD1 3.48Å; T74-N97 PolarHBondContact OG1-OD1 2.82Å
98S89.3Confident88.8Confident31 Ų3178.8 Ų78.822%0.21743%0.426CS..EExtended strand (participates in β ladder)trans-160.7142.3-177.2176.90000111.5W73 L100 I101W73-S98 PolarHBondContact O-N 2.99Å; S98-L100 PolarHBondContact O-N 3.21Å; S98-L100 VanDerWaalsContact O-N 3.1Å; S98-L100 PolarHBondContact OG-N 2.82Å; S98-L100 VanDerWaalsContact OG-N 3.12Å; S98-I101 WeakPolarHBondContact O-CG1 3.45Å; S98-I101 PolarHBondContact O-N 3.36Å
99P87.2Confident88.4Confident42 Ų4277.3 Ų77.327%0.27342%0.42SS..G310 helixtrans-56.1-22.5168.2-2434.3000113.4M6 V72 C102M6-P99 HydrophobicContact CE-CB 4.49Å; M6-P99 HydrophobicContact SD-CB 4.12Å; V72-P99 HydrophobicContact CG2-CG 4.46Å; P99-C102 PolarHBondContact O-SG 2.87Å; P99-C102 VanDerWaalsContact O-SG 3.36Å
100L86.4Confident87.9Confident23 Ų2375.3 Ų75.312%0.1241%0.413CS..G310 helixtrans-82.6-8-177.9-64.7175.2000114.3Y3 M6 Y7 T10 S98 C102 K103Y3-L100 HydrophobicContact CE2-CD2 4.43Å; M6-L100 HydrophobicContact CB-CD2 3.74Å; M6-L100 HydrophobicContact CB-CG 4.32Å; M6-L100 HydrophobicContact SD-CD2 4.35Å; Y7-L100 HydrophobicContact CD1-CD1 3.76Å; Y7-L100 HydrophobicContact CD1-CD2 4.21Å; Y7-L100 HydrophobicContact CE1-CD1 4.02Å; Y7-L100 HydrophobicContact CE1-CD2 3.95Å; T10-L100 HydrophobicContact CG2-CD1 3.67Å; S98-L100 PolarHBondContact O-N 3.21Å; S98-L100 VanDerWaalsContact O-N 3.1Å; S98-L100 PolarHBondContact OG-N 2.82Å; S98-L100 VanDerWaalsContact OG-N 3.12Å; L100-C102 PolarHBondContact O-N 2.78Å; L100-K103 PolarHBondContact O-N 2.7Å
101I80.3Confident87.3Confident14 Ų1472.3 Ų72.37%0.07239%0.391CS..G310 helixtrans-60-32.7-178.7-64.8170.3000111.4W73 L75 L96 S98 K103 I104W73-I101 HydrophobicContact CB-CB 3.82Å; W73-I101 HydrophobicContact CB-CD1 4Å; W73-I101 HydrophobicContact CB-CG1 4.4Å; W73-I101 HydrophobicContact CB-CG2 4.31Å; W73-I101 WeakPolarHBondContact O-CD1 3.35Å; L75-I101 HydrophobicContact CB-CD1 4.47Å; L96-I101 VanDerWaalsContact C-CD1 3.48Å; L96-I101 HydrophobicContact CB-CD1 3.42Å; L96-I101 VanDerWaalsContact CB-CD1 3.42Å; L96-I101 HydrophobicContact CB-CG1 3.98Å; L96-I101 WeakPolarHBondContact O-CD1 3.38Å; S98-I101 WeakPolarHBondContact O-CG1 3.45Å; S98-I101 PolarHBondContact O-N 3.36Å; I101-K103 PolarHBondContact O-N 2.76Å; I101-I104 PolarHBondContact O-N 2.84Å
102C72Confident86.5Confident73 Ų7374.2 Ų74.249%0.49340%0.399SS..G310 helixtrans-63.1-5.2178.365.80000114.7P99 L100P99-C102 PolarHBondContact O-SG 2.87Å; P99-C102 VanDerWaalsContact O-SG 3.36Å; L100-C102 PolarHBondContact O-N 2.78Å
103K69.5Low85.6Confident119 Ų11969.3 Ų69.352%0.51737%0.373SS..G310 helixtrans-108.3-4.6175.6-85.8-177.2165-142.80115.4Y3 L100 I101Y3-K103 HydrophobicContact CE1-CD 4.38Å; Y3-K103 HydrophobicContact CE2-CD 3.58Å; Y3-K103 WeakPolarHBondContact OH-CD 3.49Å; Y3-K103 WeakPolarHBondContact OH-CE 3.33Å; Y3-K103 PolarHBondContact OH-NZ 2.79Å; L100-K103 PolarHBondContact O-N 2.7Å; I101-K103 PolarHBondContact O-N 2.76Å
104I68.5Low84.6Confident168 Ų16864.5 Ų64.586%0.86236%0.359SS*.  trans-81.60168.3-58.8177.8000106.8L96 I101L96-I104 HydrophobicContact CD1-CD1 4.44Å; I101-I104 PolarHBondContact O-N 2.84Å

Retrieved 104 of 104 residues in 31.5 ms (Link to these results)

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