Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKIAIFASGSGSNFENIVEHVESGKLENIEVTALYTDHQNAFCIDRAKKHDIPVYINEPKQFDSKAAYEQHLVTLLNKDKVEWIILAGYMRLIGPDLLASFEGKILNIHPSLLPKYKGIDAIGQAYHSGDTITGSTVHYVDCGMDTGEIIEQRQCDIRPDDSKEQLEEKVKKLEYELYPSVIAKIVK
3KCQ Chain:A ((8-188))
ELRVGVLISGRGSNLEALAKAFST-ES-SVVISCVISNNAEARGLLIAQSYGIPTFVVKRKP-----LDIEHISTVLREHDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVKLIA-
General information:
TITO was launched using:
RESULT:
Template:
3KCQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134915 for 1449 contacts (-93.1/contact) +
2D Compatibility (PS) -19670 + (NN) -12642 + (LL) 232
1D Compatibility (HY) -15600 + (ID) 2700
Total energy: -185295.0 ( -127.88 by residue)
QMean score : 0.541
(partial model without unconserved sides chains):
PDB file :
Tito_3KCQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCQ-query.scw
PDB file :
Tito_Scwrl_3KCQ.pdb
: