************************************************************************
********** REPORT OF PROTEIN ANALYSIS  by the WHAT IF program **********
************************************************************************

Date : 2005-03-08
This report was created by WHAT IF version 20030529-0952

INTRODUCTION
------------

This document contains a report of findings by the WHAT IF program
during the analysis of one or more proteins. It contains a separate section
for each of the proteins that have been analysed. Each reported fact has
an assigned severity, one of:

* error:   severe errors encountered during the analyses. Items marked
           as errors are considered severe problems requiring immediate
           attention.

* warning: Either less severe problems or uncommon structural
           features. These still need special attention.

* note:    Statistical values, plots, or other verbose results of
           tests and analyses that have been performed.


If alternate conformations are present, only the first is
evaluated.

Hydrogen atoms are only included if explicitly requested, and even then
they are not used by all checks.

Legend
------
Some notations need a little explanation:

RESIDUE: Residues in tables are normally given in 3-5 parts:
  - A number. This is the internal sequence number of the residue used
    by WHAT IF.
  - The residue name. Normally this is a three letter amino acid name.
  - The sequence number, between brackets. This is the residue number
    as it was given in the input file. It can be followed by the insertion
    code.
  - The chain identifier. A single character. If no chain identifier
    was given in the input file, this will be invisible.
  - A model number (only for NMR structures).

Z-VALUE: To indicate the normality of a score, the score may be
   expressed as a Z-value or Z-score. This is just the number of
   standard deviations that the score deviates from the expected
   value.  A property of Z-values is that the root-mean-square of a
   group of Z-values (the RMS Z-value) is expected to be 1.0. Z-values
   above 4.0 and below -4.0 are very uncommon. If a Z-score is used in
   WHAT IF, the accompanying text will explain how the expected value
   and standard deviation were obtained.



========================================================================
==== Compound code /u/lytle/bc019267/9valid/c70a/refined_input/refin====.pdb
========================================================================
 
# 1 # Error: Missing unit cell information
No SCALE matrix is given in the PDB file.
 
# 2 # Error: Missing symmetry information
Problem: No CRYST1 card is given in the PDB file.