# PDB Scan report for R1.pdb
## Structure contents summary
-------------------------------------------
Chain ID Type No. Gaps
Residues Detected
Found
---------- ---------- ---------- ----------
A Protein 90 Yes
---------- ---------- ---------- ----------
### Heterogens
None
###Biological Unit
No information detected
### Proposed segment to chain mapping
Segments rather than chains are used to create CHARMM
parameterized structures. PDB Scan suggests the following
mapping of residues from the input chains to segments.
--------------------------------------------------
Chain Segname Type Resids Indices
------ ------- ---- ------------- ----------------
A A pro 9-98 1-664
------ ------- ---- ------------- ----------------
### Proposed segment simulation readiness
Each proposed segment has been checked to see if it is ready for
simulation through MD (in CHARMM) or SASSIE dihedral MC.
----------------------------------------
Segname Single CHARMM MC MD
Conformer
------- ----------- ------ ------ ------
A Y Y Y N
------- ----------- ------ ------ ------
WARNING: Segments A do not start with resid 1, check sequence is correct
## Sequence for chain A
### Sequence:
---------------------------------------------------------------
`|123456789|123456789|123456789|123456789|123456789`
---------- ----------------------------------------------------
0 `--------DGDPAKTPVTPDASRPATFVDANGQPVTGNTVPAMSNGQQVG`
50 `TYELDPNTGQVTFKPNKTFVGTPDPVAVQVSDTNGVPHRARYQPTVTK `
---------- ----------------------------------------------------
### Gaps:
None
### Heterogens:
None Found
### Missing heavy atoms:
No missing heavy atoms detected in recognized residues
### Statistics:
-------------------------------------------------- ----------------------------------------------------------------------------------------------------
Formula C409O137N117S1
Molecular weight 8775 Da : 8.78 kDa
Center of mass (x,y,z) (0.23, -0.79, 0.89) Angstrom
Coordinate range (x,y,z) Low: (-19.30, -16.13, -11.84), High: (22.73, 14.47, 14.53) Angstrom
Radius of gyration 13.44 Angstrom
Distance between N- & C-terminals 20.53 Angstrom
-------------------------------------------------- ----------------------------------------------------------------------------------------------------