Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKKVKLGILISGRGSNMQALMKACQNYGFPAEMACVISNNNKAAGLKVAEQAGMPTFVVENKPLDVDKIHEILVQHEVNLVCLAGFMRILKADFLNKWHGKVINVHPSLLPSFKGLNAQEQALKAGVKVTGCTVHYVTSEVDAGAIIAQAAVPVLPNDDIHSLSKRILSEEHKCYVEAVRLIAMLSRKLERP
3KCQ Chain:A ((7-194))
--KELRVGVLISGRGSNLEALAKAFST-ESSVVISCVISNNAEARGLLIAQSYGIPTFVVKRKPLDIEHISTVLREHDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVKLIAQDKIKLCDD
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) -154104 for 1500 contacts (-102.7/contact) +
2D Compatibility (PS) -21166 + (NN) -15300 + (LL) 508
1D Compatibility (HY) -22800 + (ID) 5550
Total energy: -218412.0 ( -145.61 by residue)
QMean score : 0.577
(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
: