Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHKVGILGGTFDPPHLAHLHMAEEAKKQLELEKILFLPNKIPPHKHISGMASINERVEMLQLMIEGIDSFEIDTRELMRTGKSYTYDTMRDMIIEQPDTDFYFIIGGDMVEYLPKWYHIDDLVKMVTFVGVNRPLYQPEVPYDVVKIDMPKTTISSTEIRNDIEH---AEAFLPEKVWSYIKEHQLYGKK
1KAQ Chain:C ((8-192))
---KIGIFGGTFDPPHNGHLLMANEVLYQAGLDEIWFMPNQIPPHKQNEDYTDSFHRVEMLKLAIQSNPSFKLELVEMEREGPSYTFDTVSLLKQRYPNDQLFFIIGADMIEYLPKWYKLDELLNLIQFIGVKRPGFHVETPYPLLFADVPEFEVSSTMIRERFKSKKPTDYLIPDKVKKYVEENGLY---
General information:
TITO was launched using:
RESULT:
Template:
1KAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122521 for 1454 contacts (-84.3/contact) +
2D Compatibility (PS) -19711 + (NN) -8890 + (LL) 272
1D Compatibility (HY) -18400 + (ID) 4100
Total energy: -173350.0 ( -119.22 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_1KAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KAQ-query.scw
PDB file :
Tito_Scwrl_1KAQ.pdb
: