WHAT IF Check report

This file was created 2011-12-16 from WHAT_CHECK output by a conversion script. If you are new to WHAT_CHECK, please study the pdbreport pages. There also exists a legend to the output.

Please note that you are looking at an abridged version of the output (all checks that gave normal results have been removed from this report). You can have a look at the Full report instead.

Verification log for pdb2kr7.ent

Non-validating, descriptive output paragraph

Note: Ramachandran plot

In this Ramachandran plot x-signs represent glycines, squares represent prolines, and plus-signs represent the other residues. If too many plus- signs fall outside the contoured areas then the molecule is poorly refined (or worse). Proline can only occur in the narrow region around phi=-60 that also falls within the other contour islands.

In a colour picture, the residues that are part of a helix are shown in blue, strand residues in red. Preferred regions for helical residues are drawn in blue, for strand residues in red, and for all other residues in green. A full explanation of the Ramachandran plot together with a series of examples can be found at the WHAT_CHECK website.

Chain identifier: A; Model number 1

Note: Ramachandran plot

Chain identifier: A; Model number 2

Note: Ramachandran plot

Chain identifier: A; Model number 3

Note: Ramachandran plot

Chain identifier: A; Model number 4

Note: Ramachandran plot

Chain identifier: A; Model number 5

Note: Ramachandran plot

Chain identifier: A; Model number 6

Note: Ramachandran plot

Chain identifier: A; Model number 7

Note: Ramachandran plot

Chain identifier: A; Model number 8

Note: Ramachandran plot

Chain identifier: A; Model number 9

Note: Ramachandran plot

Chain identifier: A; Model number 10

Note: Ramachandran plot

Chain identifier: A; Model number 11

Note: Ramachandran plot

Chain identifier: A; Model number 12

Note: Ramachandran plot

Chain identifier: A; Model number 13

Note: Ramachandran plot

Chain identifier: A; Model number 14

Note: Ramachandran plot

Chain identifier: A; Model number 15

Note: Ramachandran plot

Chain identifier: A; Model number 16

Note: Ramachandran plot

Chain identifier: A; Model number 17

Note: Ramachandran plot

Chain identifier: A; Model number 18

Note: Ramachandran plot

Chain identifier: A; Model number 19

Note: Ramachandran plot

Chain identifier: A; Model number 20

Coordinate problems, unexpected atoms, B-factor and occupancy checks

Warning: B-factors outside the range 0.0 - 100.0

In principle, B-factors can have a very wide range of values, but in practice, B-factors should not be zero while B-factors above 100.0 are a good indicator that the location of that atom is meaningless. Be aware that the cutoff at 100.0 is arbitrary. 'High' indicates that atoms with a B-factor > 100.0 were observed; 'Zero' indicates that atoms with a B-factor of zero were observed.

   1 MET   (   1-)  A    Zero
   2 GLN   (   2-)  A    Zero
   3 ASN   (   3-)  A    Zero
   4 HIS   (   4-)  A    Zero
   5 ASP   (   5-)  A    Zero
   6 LEU   (   6-)  A    Zero
   7 GLU   (   7-)  A    Zero
   8 SER   (   8-)  A    Zero
   9 ILE   (   9-)  A    Zero
  10 LYS   (  10-)  A    Zero
  11 GLN   (  11-)  A    Zero
  12 ALA   (  12-)  A    Zero
  13 ALA   (  13-)  A    Zero
  14 LEU   (  14-)  A    Zero
  15 ILE   (  15-)  A    Zero
  16 GLU   (  16-)  A    Zero
  17 TYR   (  17-)  A    Zero
  18 GLU   (  18-)  A    Zero
  19 VAL   (  19-)  A    Zero
  20 ARG   (  20-)  A    Zero
  21 GLU   (  21-)  A    Zero
  22 GLN   (  22-)  A    Zero
  23 GLY   (  23-)  A    Zero
  24 SER   (  24-)  A    Zero
  25 SER   (  25-)  A    Zero
And so on for a total of 3020 lines.

Geometric checks

Note: Per-model averages for bond-length check

The table below gives the per-model bond-length RMS Z-scores.

Model 1 : 0.674
Model 2 : 0.672
Model 3 : 0.664
Model 4 : 0.676
Model 5 : 0.668
Model 6 : 0.680
Model 7 : 0.668
Model 8 : 0.678
Model 9 : 0.671
Model 10 : 0.665
Model 11 : 0.677
Model 12 : 0.669
Model 13 : 0.671
Model 14 : 0.680
Model 15 : 0.672
Model 16 : 0.676
Model 17 : 0.667
Model 18 : 0.663
Model 19 : 0.668
Model 20 : 0.674

Warning: Directionality in bond lengths

Comparison of bond distances with Engh and Huber [REF] standard values for protein residues and Parkinson et al [REF] standard values for DNA/RNA shows a significant systematic deviation.

Since this is not an XRAY structure this effect is hard to explain.

Warning: Unusual bond angles

The bond angles listed in the table below were found to deviate more than 4 sigma from standard bond angles (both standard values and sigma for protein residues have been taken from Engh and Huber [REF], for DNA/RNA from Parkinson et al [REF]). In the table below for each strange angle the bond angle and the number of standard deviations it differs from the standard values is given. Please note that disulphide bridges are neglected. Atoms starting with "-" belong to the previous residue in the sequence.

   2 GLN   (   2-)  A      NE2  CD   OE1 118.44   -4.2
  22 GLN   (  22-)  A      NE2  CD   OE1 118.35   -4.3
  31 ASN   (  31-)  A      ND2  CG   OD1 118.52   -4.1
  88 GLN   (  88-)  A      NE2  CD   OE1 118.25   -4.3
 110 ILE   ( 110-)  A      CA   CB   CG1 117.47    4.2
 173 GLN   (  22-)  A      NE2  CD   OE1 118.01   -4.6
 261 ILE   ( 110-)  A      CA   CB   CG1 117.54    4.2
 405 GLN   ( 103-)  A      NE2  CD   OE1 118.54   -4.1
 410 GLN   ( 108-)  A      NE2  CD   OE1 118.39   -4.2
 412 ILE   ( 110-)  A      CA   CB   CG1 117.67    4.3
 455 GLN   (   2-)  A      NE2  CD   OE1 118.57   -4.0
 511 GLN   (  58-)  A      NE2  CD   OE1 118.15   -4.5
 539 ARG   (  86-)  A      CD   NE   CZ  129.01    4.1
 556 GLN   ( 103-)  A      NE2  CD   OE1 118.56   -4.0
 564 GLN   ( 111-)  A      NE2  CD   OE1 118.49   -4.1
 622 GLU   (  18-)  A     -C    N    CA  129.87    4.5
 626 GLN   (  22-)  A      NE2  CD   OE1 118.50   -4.1
 648 ASN   (  44-)  A      ND2  CG   OD1 118.48   -4.1
 649 GLN   (  45-)  A      NE2  CD   OE1 118.46   -4.1
 692 GLN   (  88-)  A      NE2  CD   OE1 118.53   -4.1
 694 GLU   (  90-)  A     -C    N    CA  129.61    4.4
 714 ILE   ( 110-)  A      CA   CB   CG1 117.68    4.3
 715 GLN   ( 111-)  A      NE2  CD   OE1 118.59   -4.0
 813 GLN   (  58-)  A      NE2  CD   OE1 118.38   -4.2
 858 GLN   ( 103-)  A      NE2  CD   OE1 118.48   -4.1
And so on for a total of 80 lines.

Note: Per-model averages for bond-angle check

The table below gives the per-model bond-angle RMS Z-scores.

Model 1 : 1.059
Model 2 : 1.089
Model 3 : 1.091
Model 4 : 1.092
Model 5 : 1.093
Model 6 : 1.081
Model 7 : 1.077
Model 8 : 1.082
Model 9 : 1.087
Model 10 : 1.106
Model 11 : 1.077
Model 12 : 1.061
Model 13 : 1.073
Model 14 : 1.082
Model 15 : 1.092
Model 16 : 1.087
Model 17 : 1.070
Model 18 : 1.087
Model 19 : 1.099
Model 20 : 1.072

Note: Per-model averages for chirality check

The table below gives the per-model improper dihedral RMS Z-scores.

Model 1 : 0.744
Model 2 : 0.726
Model 3 : 0.764
Model 4 : 0.721
Model 5 : 0.769
Model 6 : 0.743
Model 7 : 0.751
Model 8 : 0.742
Model 9 : 0.776
Model 10 : 0.782
Model 11 : 0.757
Model 12 : 0.743
Model 13 : 0.760
Model 14 : 0.719
Model 15 : 0.746
Model 16 : 0.734
Model 17 : 0.722
Model 18 : 0.706
Model 19 : 0.757
Model 20 : 0.747

Torsion-related checks

Warning: Ramachandran Z-score low

The score expressing how well the backbone conformations of all residues correspond to the known allowed areas in the Ramachandran plot is a bit low.

Ramachandran Z-score : -3.362

Note: Per-model averages for Ramachandran check

The table below gives the per-model Ramachandran Z-scores.

Model 1 : -3.510
Model 2 : -3.024
Model 3 : -3.588
Model 4 : -2.912
Model 5 : -2.880
Model 6 : -3.597
Model 7 : -2.960
Model 8 : -3.006
Model 9 : -3.338
Model 10 : -4.387
Model 11 : -3.472
Model 12 : -3.573
Model 13 : -3.782
Model 14 : -3.381
Model 15 : -2.696
Model 16 : -3.340
Model 17 : -3.476
Model 18 : -3.648
Model 19 : -3.420
Model 20 : -3.247

Warning: Torsion angle evaluation shows unusual residues

The residues listed in the table below contain bad or abnormal torsion angles.

These scores give an impression of how `normal' the torsion angles in protein residues are. All torsion angles except omega are used for calculating a `normality' score. Average values and standard deviations were obtained from the residues in the WHAT IF database. These are used to calculate Z-scores. A residue with a Z-score of below -2.0 is poor, and a score of less than -3.0 is worrying. For such residues more than one torsion angle is in a highly unlikely position.

1741 TYR   (  80-)  A 1   -3.2
 986 TYR   (  80-)  A    -3.0
  76 TYR   (  76-)  A    -2.9
1288 TYR   (  80-)  A    -2.8
 224 TYR   (  73-)  A    -2.8
1791 LEU   ( 130-)  A 1   -2.8
1214 LEU   (   6-)  A    -2.7
1602 ILE   (  92-)  A 1   -2.7
2495 SER   (  79-)  A 1   -2.6
 914 SER   (   8-)  A    -2.5
1434 VAL   (  75-)  A 1   -2.5
 714 ILE   ( 110-)  A    -2.5
 619 ILE   (  15-)  A    -2.5
 770 ILE   (  15-)  A    -2.5
2264 GLU   ( 150-)  A 1   -2.5
2415 GLU   ( 150-)  A 1   -2.5
2526 ILE   ( 110-)  A 1   -2.4
2582 ILE   (  15-)  A 1   -2.4
1525 ILE   (  15-)  A 1   -2.4
 563 ILE   ( 110-)  A    -2.4
2113 GLU   ( 150-)  A 1   -2.4
2744 ILE   (  26-)  A 1   -2.4
1978 ILE   (  15-)  A 1   -2.4
 261 ILE   ( 110-)  A    -2.4
2979 ILE   ( 110-)  A 2   -2.4
And so on for a total of 131 lines.

Warning: Backbone evaluation reveals unusual conformations

The residues listed in the table below have abnormal backbone torsion angles.

Residues with `forbidden' phi-psi combinations are listed, as well as residues with unusual omega angles (deviating by more than 3 sigma from the normal value). Please note that it is normal if about 5 percent of the residues is listed here as having unusual phi-psi combinations.

  35 GLU   (  35-)  A  Poor phi/psi
  73 TYR   (  73-)  A  Poor phi/psi
 193 GLY   (  42-)  A  Poor phi/psi
 195 ASN   (  44-)  A  Poor phi/psi
 287 ALA   ( 136-)  A  omega poor
 306 HIS   (   4-)  A  Poor phi/psi
 346 ASN   (  44-)  A  Poor phi/psi
 371 PRO   (  69-)  A  Poor phi/psi
 374 ALA   (  72-)  A  Poor phi/psi
 409 ASN   ( 107-)  A  Poor phi/psi
 464 GLN   (  11-)  A  omega poor
 526 TYR   (  73-)  A  Poor phi/psi
 539 ARG   (  86-)  A  Poor phi/psi
 560 ASN   ( 107-)  A  Poor phi/psi
 646 GLY   (  42-)  A  Poor phi/psi
 648 ASN   (  44-)  A  Poor phi/psi
 677 TYR   (  73-)  A  Poor phi/psi
 694 GLU   (  90-)  A  Poor phi/psi
 711 ASN   ( 107-)  A  Poor phi/psi
 741 PHE   ( 137-)  A  omega poor
 914 SER   (   8-)  A  Poor phi/psi
 986 TYR   (  80-)  A  Poor phi/psi
1056 GLU   ( 150-)  A  Poor phi/psi
1091 LYS   (  34-)  A  Poor phi/psi
1101 ASN   (  44-)  A  Poor phi/psi
And so on for a total of 95 lines.

Warning: chi-1/chi-2 angle correlation Z-score low

The score expressing how well the chi-1/chi-2 angles of all residues correspond to the populated areas in the database is a bit low.

chi-1/chi-2 correlation Z-score : -3.517

Note: Per-model averages for chi-1/chi-2 angle check

The table below gives the per-model chi-1/chi-2 correlation Z-scores.

Model 1 : -2.881
Model 2 : -3.868
Model 3 : -3.330
Model 4 : -3.892
Model 5 : -3.056
Model 6 : -2.391
Model 7 : -2.865
Model 8 : -4.199
Model 9 : -3.511
Model 10 : -3.277
Model 11 : -4.448
Model 12 : -3.288
Model 13 : -3.893
Model 14 : -4.071
Model 15 : -3.039
Model 16 : -2.729
Model 17 : -4.626
Model 18 : -3.807
Model 19 : -4.494
Model 20 : -2.666

Warning: Unusual rotamers

The residues listed in the table below have a rotamer that is not seen very often in the database of solved protein structures. This option determines for every residue the position specific chi-1 rotamer distribution. Thereafter it verified whether the actual residue in the molecule has the most preferred rotamer or not. If the actual rotamer is the preferred one, the score is 1.0. If the actual rotamer is unique, the score is 0.0. If there are two preferred rotamers, with a population distribution of 3:2 and your rotamer sits in the lesser populated rotamer, the score will be 0.667. No value will be given if insufficient hits are found in the database.

It is not necessarily an error if a few residues have rotamer values below 0.3, but careful inspection of all residues with these low values could be worth it.

1108 GLU   (  51-)  A    0.36
2751 SER   (  33-)  A 1   0.36
2920 GLU   (  51-)  A 2   0.36

Warning: Unusual backbone conformations

For the residues listed in the table below, the backbone formed by itself and two neighbouring residues on either side is in a conformation that is not seen very often in the database of solved protein structures. The number given in the table is the number of similar backbone conformations in the database with the same amino acid in the centre.

For this check, backbone conformations are compared with database structures using C-alpha superpositions with some restraints on the backbone oxygen positions.

A residue mentioned in the table can be part of a strange loop, or there might be something wrong with it or its directly surrounding residues. There are a few of these in every protein, but in any case it is worth looking at!

   3 ASN   (   3-)  A      0
   4 HIS   (   4-)  A      0
   6 LEU   (   6-)  A      0
   7 GLU   (   7-)  A      0
  10 LYS   (  10-)  A      0
  22 GLN   (  22-)  A      0
  29 ASP   (  29-)  A      0
  35 GLU   (  35-)  A      0
  41 ILE   (  41-)  A      0
  43 THR   (  43-)  A      0
  44 ASN   (  44-)  A      0
  45 GLN   (  45-)  A      0
  57 ALA   (  57-)  A      0
  58 GLN   (  58-)  A      0
  59 ILE   (  59-)  A      0
  73 TYR   (  73-)  A      0
  75 VAL   (  75-)  A      0
  78 SER   (  78-)  A      0
  79 SER   (  79-)  A      0
  95 GLU   (  95-)  A      0
  96 LYS   (  96-)  A      0
  98 MET   (  98-)  A      0
 108 GLN   ( 108-)  A      0
 111 GLN   ( 111-)  A      0
 116 ASP   ( 116-)  A      0
And so on for a total of 1491 lines.

Note: Per-model averages for omega angle check

The table below gives the per-model omega angle standard deviations.

Model 1 : 5.304
Model 2 : 5.136
Model 3 : 5.380
Model 4 : 5.859
Model 5 : 5.228
Model 6 : 5.266
Model 7 : 5.402
Model 8 : 5.392
Model 9 : 5.032
Model 10 : 5.188
Model 11 : 5.663
Model 12 : 5.419
Model 13 : 5.197
Model 14 : 5.259
Model 15 : 5.266
Model 16 : 4.789
Model 17 : 5.350
Model 18 : 5.332
Model 19 : 4.974
Model 20 : 5.451

Warning: Backbone oxygen evaluation

The residues listed in the table below have an unusual backbone oxygen position.

For each of the residues in the structure, a search was performed to find 5-residue stretches in the WHAT IF database with superposable C-alpha coordinates, and some restraining on the neighbouring backbone oxygens.

In the following table the RMS distance between the backbone oxygen positions of these matching structures in the database and the position of the backbone oxygen atom in the current residue is given. If this number is larger than 1.5 a significant number of structures in the database show an alternative position for the backbone oxygen. If the number is larger than 2.0 most matching backbone fragments in the database have the peptide plane flipped. A manual check needs to be performed to assess whether the experimental data can support that alternative as well. The number in the last column is the number of database hits (maximum 80) used in the calculation. It is "normal" that some glycine residues show up in this list, but they are still worth checking!

1854 GLY   (  42-)  A 1  2.34   13
1401 GLY   (  42-)  A 1  2.29   17
2458 GLY   (  42-)  A 1  2.20   11
2307 GLY   (  42-)  A 1  1.97   17
2156 GLY   (  42-)  A 1  1.97   14
2609 GLY   (  42-)  A 1  1.96   16
1684 GLY   (  23-)  A 1  1.95   15
 220 PRO   (  69-)  A   1.94   12
2815 GLY   (  97-)  A 1  1.86   65
 495 GLY   (  42-)  A   1.85   80
 203 LYS   (  52-)  A   1.83   15
2060 GLY   (  97-)  A 1  1.82   25
  69 PRO   (  69-)  A   1.82   12
1703 GLY   (  42-)  A 1  1.80   43
 929 GLY   (  23-)  A   1.80   35
1411 LYS   (  52-)  A 1  1.79   13
 174 GLY   (  23-)  A   1.79   23
  23 GLY   (  23-)  A   1.76   39
1533 GLY   (  23-)  A 1  1.76   35
1456 GLY   (  97-)  A 1  1.75   13
2362 GLY   (  97-)  A 1  1.69   11
1612 GLY   ( 102-)  A 1  1.66   63
 476 GLY   (  23-)  A   1.65   20
1461 GLY   ( 102-)  A 1  1.65   52
2015 LYS   (  52-)  A 1  1.65   18
2513 GLY   (  97-)  A 1  1.64   29
2216 GLY   ( 102-)  A 1  1.63   48
1835 GLY   (  23-)  A 1  1.62   17
1260 LYS   (  52-)  A   1.62   22
2669 GLY   ( 102-)  A 1  1.60   56
1159 GLY   ( 102-)  A   1.60   64
1109 LYS   (  52-)  A   1.60   21
 857 GLY   ( 102-)  A   1.60   47
2183 PRO   (  69-)  A 1  1.60   16
1763 GLY   ( 102-)  A 1  1.59   42
 325 GLY   (  23-)  A   1.59   33
2334 PRO   (  69-)  A 1  1.59   11
1305 GLY   (  97-)  A   1.58   80
2664 GLY   (  97-)  A 1  1.58   40
2518 GLY   ( 102-)  A 1  1.57   56
1909 GLY   (  97-)  A 1  1.55   77
1653 GLY   ( 143-)  A 1  1.55   24
1310 GLY   ( 102-)  A   1.54   53
1713 LYS   (  52-)  A 1  1.53   20
 102 GLY   ( 102-)  A   1.53   49
1008 GLY   ( 102-)  A   1.53   61
 706 GLY   ( 102-)  A   1.53   61
2971 GLY   ( 102-)  A 2  1.52   60

Packing, accessibility and threading

Note: Per-model averages for inside/outside residue distributi ...heck




















Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 1

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 2

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 3

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 4

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 5

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 6

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 7

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 8

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 9

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 10

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 11

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 12

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 13

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 14

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 15

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 16

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 17

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 18

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 19

Note: Inside/Outside RMS Z-score plot

Chain identifier: A; Model number 20

Warning: Abnormal packing environment for some residues


Warning: Abnormal packing environment for sequential residues


Error: Abnormal average packing environment

Note: Quality value plot

Chain identifier: A; Model number 1

Note: Quality value plot

Chain identifier: A; Model number 2

Note: Quality value plot

Chain identifier: A; Model number 3

Note: Quality value plot

Chain identifier: A; Model number 4

Note: Quality value plot

Chain identifier: A; Model number 5

Note: Quality value plot

Chain identifier: A; Model number 6

Note: Quality value plot

Chain identifier: A; Model number 7

Note: Quality value plot

Chain identifier: A; Model number 8

Note: Quality value plot

Chain identifier: A; Model number 9

Note: Quality value plot

Chain identifier: A; Model number 10

Note: Quality value plot

Chain identifier: A; Model number 11

Note: Quality value plot

Chain identifier: A; Model number 12

Note: Quality value plot

Chain identifier: A; Model number 13

Note: Quality value plot

Chain identifier: A; Model number 14

Note: Quality value plot

Chain identifier: A; Model number 15

Note: Quality value plot

Chain identifier: A; Model number 16

Note: Quality value plot

Chain identifier: A; Model number 17

Note: Quality value plot

Chain identifier: A; Model number 18

Note: Quality value plot

Chain identifier: A; Model number 19

Note: Quality value plot

Chain identifier: A; Model number 20

Warning: Low packing Z-score for some residues


Warning: Abnormal packing Z-score for sequential residues


Note: Per-model averages for NQA




















Note: Second generation quality Z-score plot

Chain identifier: A; Model number 1

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 2

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 3

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 4

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 5

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 6

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 7

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 8

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 9

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 10

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 11

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 12

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 13

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 14

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 15

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 16

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 17

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 18

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 19

Note: Second generation quality Z-score plot

Chain identifier: A; Model number 20

Water, ion, and hydrogenbond related checks

Error: HIS, ASN, GLN side chain flips


Warning: Buried unsatisfied hydrogen bond donors


Warning: Buried unsatisfied hydrogen bond acceptors


Warning: No crystallisation information

Warning: Possible wrong residue type


Final summary

Note: Summary report for users of a structure