MODELLER 9.16, 2016/01/07, r10745

     PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS


                     Copyright(c) 1989-2016 Andrej Sali
                            All Rights Reserved

                             Written by A. Sali
                               with help from
              B. Webb, M.S. Madhusudhan, M-Y. Shen, G.Q. Dong,
          M.A. Marti-Renom, N. Eswar, F. Alber, M. Topf, B. Oliva,
             A. Fiser, R. Sanchez, B. Yerkovich, A. Badretdinov,
                     F. Melo, J.P. Overington, E. Feyfant
                 University of California, San Francisco, USA
                    Rockefeller University, New York, USA
                      Harvard University, Cambridge, USA
                   Imperial Cancer Research Fund, London, UK
              Birkbeck College, University of London, London, UK


Kind, OS, HostName, Kernel, Processor: 4, Linux sunflower.rnet.missouri.edu 2.6.32-431.23.3.el6.x86_64 x86_64
Date and time of compilation         : 2016/01/07 10:19:44
MODELLER executable type             : i386-intel8
Job starting time (YY/MM/DD HH:MM:SS): 2016/04/05 22:38:23

read_to_681_> topology.submodel read from topology file:        3
>> Model assessment by DOPE potential
iatmcls_286W> MODEL atom not classified:  ASP:OXT  ASP
preppdf_453W> No fixed restraints selected; there may be some dynamic ones.
preppdf_454W> Restraints file was probably not read; use restraints.append().


>> ENERGY; Differences between the model's features and restraints:
Number of all residues in MODEL                   :       54
Number of all, selected real atoms                :      373     373
Number of all, selected pseudo atoms              :        0       0
Number of all static, selected restraints         :        0       0
COVALENT_CYS                                      :        F
NONBONDED_SEL_ATOMS                               :        1
Number of non-bonded pairs (excluding 1-2,1-3,1-4):    43842
Dynamic pairs routine                             : 1, NATM x NATM double loop
Atomic shift for contacts update (UPDATE_DYNAMIC) :    0.390
LENNARD_JONES_SWITCH                              :    6.500   7.500
COULOMB_JONES_SWITCH                              :    6.500   7.500
RESIDUE_SPAN_RANGE                                :        1    9999
NLOGN_USE                                         :       15
CONTACT_SHELL                                     :   15.000
DYNAMIC_PAIRS,_SPHERE,_COULOMB,_LENNARD,_MODELLER :        T       F       F       F       T
SPHERE_STDV                                       :    0.050
RADII_FACTOR                                      :    0.820
Current energy                                    :       -4045.7830




<< end of ENERGY.
DOPE score               : -4045.782959
>> Normalized DOPE z score: -0.610
Total CPU time [seconds]                                 :       1.08