Supplementary material - Result table

For a description of the columns please click on the column headers.

ID Resol. AA Chain PDB Res.Nr. Surplus Confirmed by ALTLOC Probl. Repair Exp. Data Assess. Comment
E-Dens. Cryst. Neigh. Distance Violation
2WLG 1.90 TYR A 200 17.7 Y Y Y? EDS + extreme overlap with crys. TYR A 200
3F1P 1.17 LEU A 332 17.6 Y Y Y? PDB|SF + extreme overlap with crys. LEU A 332
2ZZ7 1.58 PHE A 100 12.4 Y 0.61Å CZ <-> PHE A 100 CZ A<->A EDS +
3FDE 1.41 GLU B 523 8.9 Y? Y 1.17Å OE1 <-> GLU B 523 OE2 A<->A PDB|SF +
3DGI 1.95 GLU B 292 7.9 0.91Å OE2 <-> ARG B 296 NH1 A<->A PDB|SF +
3H9E 1.72 HIS B 275 6.6 Y 0.34Å NE2 <-> HIS B 275 NE2 A<->A PDB|SF +
3DJZ 1.82 ASP A 74 7.4 Y 1.04Å OD2 <-> GLU A 62 OE1 Y? PDB|SF + ALTLOCed vs. not ALTLOCed
3DGI 1.95 ARG B 296 7.1 Y 0.91Å NH1 <-> GLU B 292 OE2 A<->A PDB|SF +
2ZUR 1.80 GLN X 158 6.7 Y Y 1.24Å OE1 <-> GLN X 158 NE2 PDB|SF +
3H9E 1.72 HIS B 275 6.6 Y 1.10Å NE2 <-> HIS B 275 NE2 A<->A PDB|SF +
3HUT 1.93 ARG A 218 6.5 Y Y PDB|SF +
3G5H 1.40 GLU A 41 6.4 Y 1.65Å OE1 <-> GLU A 41 OE1 A<->A EDS +
3DJZ 1.82 GLU A 62 6.4 Y Y PDB|SF + not ALTLOCed vs. ALTLOCed
3DJZ 1.82 GLU A 62 6.4 Y Y Y? PDB|SF + not ALTLOCed vs. ALTLOCed
3FWK 1.20 LYS A 102 5.9 Y? Y 0.85Å CE <-> LYS A 203 CD A<->A PDB|SF +
2WLC 1.95 TYR A 6 5.5 Y Y EDS +
2ZYH 1.83 GLU A 194 5.1 Y EDS +
2W2T 1.95 TYR A 64 5.1 Y Y A<->A EDS + clash crys. TYR 64
2VXQ 1.90 LYS H 209 5.1 Y Y 1.87Å CE <-> LYS H 209 CE PDB|SF +
2ZGA 1.65 TRP A 42 5.0 2.29Å CZ <-> PRO A 44 N PDB|- na density could not be loaded
3EY1 1.60 GLU A 154 4.9 Y Y EDS + clash with crys. GLU 154, ASN 152
3HFO 1.30 ARG B 70 4.6 Y Y 1.87Å NH2 <-> ARG B 69 NE PDB|SF +
Y 2.22Å OD2 <-> GLU X 123 OE1 PDB|SF
3H46 1.75 ASP O 284 4.6 Y? 2.23Å OD1 <-> HIS O 126 NE2 PDB|SF +
3CFN 1.87 GLU A 92 4.6 Y 2.40Å OE2 <-> GLU A 72 CG A<->A PDB|SF +
3HOI 1.55 LYS A 211 4.2 Y Y 1.20Å NZ <-> LYS A 211 NZ A<->A EDS +
3FXG 1.90 ASN C 348 4.2 Y Y EDS +
3GI7 1.85 ASN B 47 4.1 Y 0.85Å ND2 <-> ASN B 47 ND2 A<->A EDS +
3BYB 1.63 GLU C 51 4.0 Y Y PDB|SF +
Y 2.20Å OD1 <-> GLN B 75 NE2 A<->A
3GRN 1.70 ASN A 77 3.9 Y 2.28Å ND2 <-> GLN B 75 OE1 A<->A PDB|SF +
3G6K 1.35 ASP A 238 3.9 Y Y? EDS +
3F02 1.80 PHE B 89 3.9 Y Y? PDB|SF + no density for ring
3DE4 1.80 TYR X 61 3.9 Y B Y? PDB|SF +
2VPU 1.90 ASP A 138 3.9 Y 1.78Å OD1 <-> ASP A 140 N PDB|SF +
3GR2 1.80 LYS A 332 3.8 Y 1.72Å NZ <-> GLN A 361 OE1 PDB|SF +
3H46 1.75 GLU X 123 3.7 Y Y 2.22Å OE1 <-> ASP O 284 OD2 PDB|SF + basically no density
3H46 1.75 GLU O 460 3.7 Y 2.28Å OE2 <-> ASP O 457 OD2 PDB|SF + basically no density
3FXG 1.90 ASN H 348 3.7 Y Y EDS +
3ECV 1.90 HIS D 80 3.7 Y 2.68Å CE1 <-> HIS D 46 CD2 PDB|SF +
2ZTX 1.72 ASN A 139 3.7 Y Y 1.85Å OD1 <-> ASN A 139 OD1 PDB|SF +
3G25 1.90 GLU D 256 3.5 Y Y? PDB|SF + no density for ALTLOCs A and B
3DE0 1.90 TYR X 61 3.5 Y Y Y PDB|SF +
2ZYZ 1.70 ASP B 70 3.5 Y PDB|SF +
3GY1 1.60 ASN A 341 3.4 Y Y? PDB|SF +
3F9Q 1.90 ASP A 24 3.4 Y Y PDB|SF +
3DPS 1.80 GLU F 2196 3.4 PDB|SF r unusual rotamer (0% as accord. to MolProbity)
3DPS 1.80 GLU A 1196 3.4 PDB|SF r unusual rotamer (0.3% as accord. to MolProbity)
3FZY 1.95 ASP B 3615 3.3 PDB|- na density could not be loaded
3FXG 1.90 ASN B 348 3.3 Y Y EDS +
3DDZ 1.70 GLN X 103 3.3 Y Y 1.98Å OE1 <-> ASN X 5 ND2 Y PDB|SF +
3DDO 1.50 GLU E 5196 3.3 Y PDB|SF r unusual rotamer (0.4% as accord. to MolProbity)
3DDO 1.50 GLU C 3196 3.3 PDB|SF r unusual rotamer (0.2% as accord. to MolProbity)
3D0A 1.80 MET B 133 3.3 2.05Å SD <-> CYS B 141 SG A<->A PDB|SF +
2W9S 1.80 ASP D 120 3.3 2.14Å OD2 <-> GLN D 17 N PDB|SF + unspecific density
2W93 1.60 ASP C 529 3.3 Y 2.37Å OD2 <-> SER C 531 OG Y? EDS +
2W3P 1.50 GLN A 456 3.3 Y Y 0.75Å OE1 <-> ARG A 453 NH1 PDB|SF +
2W3P 1.50 ARG A 453 3.3 Y Y 0.75Å NH1 <-> GLN A 456 OE1 PDB|SF +
3HJR 1.65 ASN A 166 3.2 Y Y 2.38Å OD1 <-> LYS A 238 N Y PDB|SF +
3H73 1.70 ASP B 385 3.2 Y 2.53Å OD2 <-> THR B 389 OG1 PDB|SF +
3H46 1.75 ASP O 457 3.2 Y 2.28Å OD2 <-> GLU O 460 OE2 PDB|SF +
3FLC 1.85 ASP X 183 3.2 2.44Å OD2 <-> SER X 185 OG PDB|SF +
3FJV 1.90 ASN A 85 3.2 Y 1.30Å OD1 <-> ASP A 82 OD1 EDS + ALTLOC A vs. not ALTLOCed ASP
3DE0 1.90 GLN X 103 3.2 Y Y 1.94Å OE1 <-> ASN X 5 ND2 PDB|SF +
3D3B 1.30 THR J 32 3.2 2.06Å CG2 <-> THR J 62 OG1 EDS + ALTLOC A vs. not ALTLOCed THR
3CZ1 1.50 ASP A 60 3.2 2.44Å OD2 <-> ASN A 64 ND2 PDB|- na density could not be loaded
2ZO3 1.70 ASP H 125 3.2 2.31Å OD2 <-> THR H 128 OG1 EDS +
2.64Å OE2 <-> TYR C 157 OH
2JJB 1.90 GLU C 155 3.2 Y 2.89Å CD <-> GLU C 155 N EDS +
3I10 1.35 ASN A 31 3.1 Y 1.70Å OD1 <-> ASN A 31 OD1 A<->A PDB|- na density could not be loaded
Y 2.56Å OE2 <-> ASP X 457 OD2
3H46 1.75 GLU X 460 3.1 Y Y 2.29Å OE2 <-> GLU O 217 OE1 PDB|SF +
3GRN 1.70 GLN B 75 3.1 Y 2.20Å NE2 <-> ASN A 77 OD1 A<->A PDB|SF +
3GI7 1.85 ASN A 47 3.1 Y 0.95Å ND2 <-> ASN A 47 ND2 A<->A EDS +
3FYO 1.90 PHE B 234 3.1 Y 1.23Å OE2 <-> LYS B 52 NZ PDB|SF +
3FXG 1.90 ASN E 348 3.1 Y Y EDS +
3FLC 1.85 ASP O 183 3.1 2.42Å OD2 <-> SER O 185 OG PDB|SF +
3EA6 0.92 ASP A 185 3.1 Y 2.46Å OD2 <-> ASP A 186 OD1 PDB|SF +
3EA3 1.78 GLU A 108 3.1 EDS o
3EA1 1.75 GLU B 108 3.1 EDS o
3EA1 1.75 ASN A 243 3.1 Y EDS +
2W8B 1.86 ASP B 418 3.1 2.21Å OD2 <-> GLU B 22 OE1 EDS + insec. dens. for ASP
Y 2.37Å NE2 <-> LYS B 564 O
2W59 1.75 GLN A 434 3.1 Y 2.36Å OE1 <-> ALA B 566 N EDS + insec. dens. for GLN and crys. neighb.
2.65Å OD2 <-> HIS B 93 N
2W3E 1.60 ASP B 90 3.1 2.79Å OD2 <-> GLN B 92 N PDB|SF + three H-bridges for OD2?!
3HNN 1.80 ASP D 187 3.0 Y 2.59Å OD2 <-> SER D 238 OG Y PDB|SF + move SER for repair, THR 237 bad dens
3H47 1.90 CYS A 45 3.0 Y Y 2.04Å SG <-> CYS A 14 SG PDB|SF +
3GN6 1.80 GLU A 234 3.0 PDB|- na density could not be loaded
3G5F 1.40 GLU A 41 3.0 Y 2.21Å OE1 <-> GLU A 41 OE1 A<->A PDB|SF +
3G25 1.90 ASP C 181 3.0 2.54Å OD2 <-> SER C 183 OG PDB|SF +
3FXG 1.90 ASN A 348 3.0 Y Y EDS +
3FV3 1.85 ASP F 130 3.0 Y PDB|SF + GLY F 133 N (bad dens)
3F5Q 1.76 GLU B 49 3.0 Y 1.46Å OE2 <-> ARG B 52 NH2 EDS +
3EA3 1.78 GLU B 108 3.0 EDS o
3EA2 1.95 GLU B 108 3.0 EDS o
3EA2 1.95 GLU A 108 3.0 EDS o
3EA1 1.75 GLU A 108 3.0 EDS o
3DDZ 1.70 TYR X 61 3.0 Y Y PDB|SF +
3CFM 1.60 GLU A 92 3.0 1.25Å OE2 <-> HIS A 90 NE2 A<->A EDS +
2ZZ6 1.66 ARG B 66 3.0 Y EDS +