Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEDNFDDEFDGSLPSGPRHPMARRFRGYLPVVVDVETGGFNSATDALLEIAATTVGMDEKGFLFPEHTYFFRIEPFEGANIEPAALEFTGIKLDHPLRMAVQEEAALTEIFRGIRKALKANGCKRAILVGHNSSFDLGFLNAAVARTGIKRNPFHPFSSFDTATLAGLAYGQTVLAKACQAAGMEFDNREAHSARYDTEKTAELFCGIVNRWKEMGGWMDDDD
4KAZ Chain:A ((30-227))
---------------------LCDRFRGFYPVVIDVETAGFNAKTDALLEIAAITLKMDEQGWLMPDTTLHFHVEPFVGANLQPEALAFNGIDPNDPDRGAVSEYEALHEIFKVVRKGIKASGCNRAIMVAHNANFDHSFMMAAAERASLKRNPFHPFATFDTAALAGLALGQTVLSKACQTAGMDFDSTQAHSALYDTERTAVLFCEIVNRWKRLGGW-----
General information:
TITO was launched using:
RESULT:
Template:
4KAZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104106 for 1616 contacts (-64.4/contact) +
2D Compatibility (PS) -21798 + (NN) -11972 + (LL) -328
1D Compatibility (HY) -21200 + (ID) 6250
Total energy: -165654.0 ( -102.51 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_4KAZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KAZ-query.scw
PDB file :
Tito_Scwrl_4KAZ.pdb
: