#NO_HEADER_PDBSCAN for: /share/apps/genapp/sassie2/results/users/dww100/no_project_specified/1008.pdb


## OVERALL SUMMARY ##

#### WARNING: there are multiple altLoc found in the pdb coorindate entries! Only altLoc 'A' is used for no_header pdbscan! ####

### Chain summary ###


<i>Note: protein heavy atoms only</i>

<i>Note: the integrity of terminal residues are not checked </i>

----------------------------------------------------------------------------------------------------------------------------------------------
Chain name  Possible number of missing residues      Number of missing atoms  Number of atoms not compatible with      Number of hetero-atoms 
            based on residue numbers and distance                             CHARMM force field                                              
            analysis                                                                                                                          
----------- ---------------------------------------- ------------------------ ---------------------------------------- ----------------------- 
A           0                                        0                        0                                        0                      
----------- ---------------------------------------- ------------------------ ---------------------------------------- ----------------------- 




### Number of possible disulfide bonds ###

0


### Biological unit / BIOMT information ###

Not available for no-header pdbscan


### System statistics ###

-------------------------------------------------- ---------------------------------------------------------------------------------------------------- 
Formula                                            C<sub>598</sub>O<sub>165</sub>N<sub>155</sub>S<sub>1</sub>                                          

Molecular weight                                   12025 Da : 12.03 kDa                                                                                

Center of mass (x,y,z)                             (17.85, 16.93, 33.21) Angstrom                                                                      

Coordinate range (x,y,z)                           Low: (2.64, -5.70, 14.78), High: (32.71, 38.87, 47.48) Angstrom                                     

Radius of gyration                                 13.98 Angstrom                                                                                      
-------------------------------------------------- ---------------------------------------------------------------------------------------------------- 




### Unique residue names ###


MET, PHE, LYS, TYR, GLN, VAL, ILE, ALA, ARG, ASP, LEU, SER, GLY, HIS, THR, GLU, TRP, PRO, ASN


### Unique atom names ###


N, CA, C, O, CB, CG, SD, CE, CD1, CD2, CE1, CE2, CZ, CD, NZ, OH, OE1, NE2, CG1, CG2, NE, NH1, NH2, OD1, OD2, OG, ND1, OG1, OE2, NE1, CE3, CZ2, CZ3, CH2, ND2, OXT

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## CHAIN "A" REPORT##


### Sequence ###


<i>Note: missing internal residues represented by '*'</i>

<i>Note: protein heavy atoms only</i>

---------- ---------------------------------------------------- 
         1 `MFKYKQVIVARADLKLSKGKLAAQVAHGAVTAAFEAYKKKREWFEAWFRE`

        51 `GQKKVVVKVESEEELFKLKAEAEKLGLPNALIRDAGLTEIPPGTVTVLAV`

       101 `GPAPEEIVDKVTGNLKLL                                `
---------- ---------------------------------------------------- 





### Possible missing internal residues based on distance analysis ###


<i>Note: the two residues inside each bracket represent the residues before and after the missing residues</i>


<i>Note: protein heavy atoms only</i>


None



### Atoms missing from CHARMM force field###


<i>Note: each atom represented as ResidueName-ResidueNumber:AtomName</i>


<i>Note: protein heavy atoms only</i>


None



### Atoms not compatible with CHARMM force field ###


<i>Note: each atom is represented as ResidueName-ResidueNumber:AtomName</i>


<i>Note: protein heavy atoms only</i>


None




### Chain statistics ###

-------------------------------------------------- ---------------------------------------------------------------------------------------------------- 
Formula                                            C<sub>598</sub>O<sub>165</sub>N<sub>155</sub>S<sub>1</sub>                                          

Molecular weight                                   12025 Da : 12.03 kDa                                                                                

Center of mass (x,y,z)                             (17.85, 16.93, 33.21) Angstrom                                                                      

Coordinate range (x,y,z)                           Low: (2.64, -5.70, 14.78), High: (32.71, 38.87, 47.48) Angstrom                                     

Radius of gyration                                 13.98 Angstrom                                                                                      

Distance between N- & C-terminals                     29.75 Angstrom                                                                                   
-------------------------------------------------- ---------------------------------------------------------------------------------------------------- 




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## HETERO-ATOM LIST ##


### CHARMM standard ###


None

### Non-CHARMM standard ###


None

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## DISULFIDE BONDS ##


<i>Note: the two residues with disulfide bond are represented as ChainName-ResidueNumber : ChainName-ResidueNumber</i>


None


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## BIOMT information ##


Not available for no-header pdbscan


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