# Structure Quality Analysis for NAME

Analyses performed for user defined residues.
The constraints analysis is based on the following files: NOE distance constraints file. Angular constraints file. H-bond constraints file.
Procheck analysis,RMSD calculation and structure superimposition are based on: User defined residues

NESG ID: | NAME
PDB ID: |
Deposition date: |
Common Name: |
Class: |
Length (a.a.): | 91
Organism: |
SwissProt / TrEMBL ID: |
# models: | 10
Oligomerization: | monomer
Molecular weight: | 10472

Secondary Structure Elements:
alpha helices: 40A-47A, 71A-81A
beta strands: 5R-6R, 14R-18R, 60E-64E, 53R-57R, 28R-31R

Total number of restricting constraints per restrained residue: | 15.7
Restricting long range constraints per restrained residue: | 5.1

Distance violations per model
Calculated using sum over r^-6

0.1 - 0.2 Å | 0.2 - 0.5 Å | > 0.5 Å
7.5 | 3.1 | 2.1

Dihedral angle violations per model

1 - 10 ° | > 10 °
1.2 | 0.4

FIDs deposited in the BMRB? no

RPF Scores

Recall | Precision | F-measure | DP-score
0.928 | 0.781 | 0.848 | 0.764

RMSD | All residues | Ordered residues2 | Selected residues3
All backbone atoms | 2.7 Å | 0.6 Å | 0.6 Å
All heavy atoms | 3.4 Å | 0.8 Å | 0.8 Å

Ramachandran Plot Summary for selected residues3 from Procheck

Most favoured regions | Additionally allowed regions | Generously allowed regions | Disallowed regions
90.8% | 7.1% | 1.2% | 0.8%

Ramachandran Plot Summary for selected residues3 from Richardson Lab's Molprobity

Most favoured regions | Allowed regions | Disallowed regions | View plot View model summary
95.5% | 4.3% | 0.2%

Global quality scores

Program | Verify3D | ProsaII (-ve) | Procheck (phi-psi)3 | Procheck (all)3 | MolProbity Clashscore
-Raw score | 0.36 | 0.55 | -0.11 | 0.11 | 9.96
Z-score1 | -1.61 | -0.41 | -0.12 | 0.65 | -0.18

Generalized linear model RMSD prediction: 1.29

Close Contacts and Deviations from Ideal Geometry (from PDB validation software)

Number of close contacts (within 1.6 Å for H atoms, 2.2 Å for heavy atoms): | 0
RMS deviation for bond angles: | 0.6 °
RMS deviation for bond lengths: | 0.011 Å

1 With respect to mean and standard deviation for a set of 252 X-ray structures < 500 residues, of resolution <= 1.80 Å, R-factor <= 0.25 and R-free <= 0.28; a positive value indicates a 'better' score
2Order residues: 14A-18A,28A-32A,38A-50A,53A-68A,70A-82A
3Selected residues: 14A-18A,28A-32A,38A-50A,53A-67A,70A-82A

RPF Precision Map

Residue Plot of Ramachandran anlysis(based on data from Richardson Lab's Molprobity)

References:
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10. Tejero R and Montelione G T, "PDBStat", unpublished
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