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

Note: protein heavy atoms only

Note: the integrity of terminal residues are not checked

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

Number of possible disulfide bonds

Biological unit / BIOMT information

Not available for no-header pdbscan

System statistics

Formula	C₅₉₈O₁₆₅N₁₅₅S₁
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

CHAIN "A" REPORT

Sequence

Note: missing internal residues represented by '*'

Note: protein heavy atoms only

1	`MFKYKQVIVARADLKLSKGKLAAQVAHGAVTAAFEAYKKKREWFEAWFRE`
51	`GQKKVVVKVESEEELFKLKAEAEKLGLPNALIRDAGLTEIPPGTVTVLAV`
101	`GPAPEEIVDKVTGNLKLL`

Possible missing internal residues based on distance analysis

Note: the two residues inside each bracket represent the residues before and after the missing residues

Note: protein heavy atoms only

None

Atoms missing from CHARMM force field

Note: each atom represented as ResidueName-ResidueNumber:AtomName

Note: protein heavy atoms only

None

Atoms not compatible with CHARMM force field

Note: each atom is represented as ResidueName-ResidueNumber:AtomName

Note: protein heavy atoms only

None

Chain statistics

Formula	C₅₉₈O₁₆₅N₁₅₅S₁
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

HETERO-ATOM LIST

CHARMM standard

None

Non-CHARMM standard

None

DISULFIDE BONDS

Note: the two residues with disulfide bond are represented as ChainName-ResidueNumber : ChainName-ResidueNumber

None

BIOMT information

Not available for no-header pdbscan