Analysis output: all-atom contacts and geometry for rcsb049247H.pdb

Summary statistics

All-Atom
Contacts Clashscore, all atoms: 23.78 91^st percentile^* (N=59, 2.85Å - 9999Å)

Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms.

Protein
Geometry Rotamer outliers 0.79% Goal: <1%

Ramachandran outliers 0.00% Goal: <0.2%

Ramachandran favored 96.87% Goal: >98%

Cβ deviations >0.25Å 0 Goal: 0

MolProbity score 2.06 99^th percentile^* (N=2114, 2.85Å - 3.35Å)

Residues with bad bonds: 0.00% Goal: <1%

Residues with bad angles: 0.21% Goal: <0.5%

* 100^th percentile is the best among structures of comparable resolution; 0^th percentile is the worst.

By adding H to this model and allowing Asn/Gln/His flips, we could automatically improve your clashscore by 0.07 points.

Multi-criterion visualizations

View (849 Kb)

Single-criterion visualizations

Clash list (22 Kb): View
Ramachandran plot kinemage (389 Kb): View in KiNG | Download
Ramachandran plot PDF (221 Kb): View
Cβ deviation scatter plot (57 Kb): View in KiNG | Download

REMARK 40

You can download your PDB file with REMARK 40 inserted, or the same without hydrogens.

REMARK  40                                                                      
REMARK  40 MOLPROBITY STRUCTURE VALIDATION                                      
REMARK  40  PROGRAMS    : MOLPROBITY  (KING, REDUCE, AND PROBE)                 
REMARK  40  AUTHORS     : I.W.DAVIS,V.B.CHEN,                                   
REMARK  40              : R.M.IMMORMINO,J.J.HEADD,W.B.ARENDALL,J.M.WORD         
REMARK  40  URL         : HTTP://KINEMAGE.BIOCHEM.DUKE.EDU/MOLPROBITY/          
REMARK  40  AUTHORS     : I.W.DAVIS,A.LEAVER-FAY,V.B.CHEN,J.N.BLOCK,            
REMARK  40              : G.J.KAPRAL,X.WANG,L.W.MURRAY,W.B.ARENDALL,            
REMARK  40              : J.SNOEYINK,J.S.RICHARDSON,D.C.RICHARDSON              
REMARK  40  REFERENCE   : MOLPROBITY: ALL-ATOM CONTACTS AND STRUCTURE           
REMARK  40              : VALIDATION FOR PROTEINS AND NUCLEIC ACIDS             
REMARK  40              : NUCLEIC ACIDS RESEARCH. 2007;35:W375-83.              
REMARK  40  MOLPROBITY OUTPUT SCORES:                                           
REMARK  40  ALL-ATOM CLASHSCORE     :  23.78                                    
REMARK  40  BAD ROTAMERS            :   0.8%    6/760    (TARGET  0-1%)         
REMARK  40  RAMACHANDRAN OUTLIERS   :   0.0%    0/926    (TARGET  0.2%)         
REMARK  40  RAMACHANDRAN FAVORED    :  96.9%  897/926    (TARGET 98.0%)