Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRVNKTVLVLVALVALVLGLTVHKVLTAQRQADPTVLLDAGIVILPQTRKVPALEFTNQDGQAVSTASLKGRWHLLFFGYTFCPDV-CPTTLAQLRELQGKLPQEVRDDLQVVFVSVDPNRDTPQQIKQYLGYFNAGFQGLTGTPENIQKLANAMSIPYIPADTSKPNYTVDHSGNLVIIGPDGEQHGFIRAPL----NNAKLEAQLPGVLKPQA
2B7K Chain:A ((16-184))
----------------------------------------------GKPSLGGPFHLEDMYGNEFTEKNLLGKFSIIYFGFSNCP-DICPDELDKLGLWLNTLSSKYGITLQPLFITCDPARDSPAVLKEYLSDFHPSILGLTGTFDEVKNACKKYRV------------LVDHSIFFYLMDPEGQFVDALGRNYDEKTGVDKIVEHVKSYVPA--
General information:
TITO was launched using:
RESULT:
Template:
2B7K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80671 for 1151 contacts (-70.1/contact) +
2D Compatibility (PS) -16293 + (NN) -9946 + (LL) 5404
1D Compatibility (HY) -14000 + (ID) 1800
Total energy: -117306.0 ( -101.92 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_2B7K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B7K-query.scw
PDB file :
Tito_Scwrl_2B7K.pdb
: