Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEDNFDDEFDGSLPSGPRHPMARRFRGYLPVVVDVETGGFNSATDALLEIAATTVGMDEKGFLFPEHTYFFRIEPFEGANIEPAALEFTGIKLDHPLRMAVQEEAALTEIFRGIRKALKANGCKRAILVGHNSSFDLGFLNAAVARTGIKRNPFHPFSSFDTATLAGLAYGQTVLAKACQAAGMEFDNREAHSARYDTEKTAELFCGIVNRWKEMGGWMDDDD
4KB0 Chain:A ((30-227))
---------------------LCDRFRGFYPVVIDVETAGFNAKTDALLEIAAITLKMDEQGWLMPDTTLHFHVEPFVGANLQPEALAFNGIDPNDPDRGAVSEYEALHEIFKVVRKGIKASGCNRAIMVAHNANFDHSFMMAAAERASLKRNPFHPFATFDTAALAGLALGQTVLSKACQTAGMDFDSTQAHSALYDTERTAVLFCEIVNRWKRLGGW-----
General information:
TITO was launched using:
RESULT:
Template:
4KB0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103051 for 1617 contacts (-63.7/contact) +
2D Compatibility (PS) -21670 + (NN) -10790 + (LL) -328
1D Compatibility (HY) -21200 + (ID) 6250
Total energy: -163289.0 ( -100.98 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_4KB0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KB0-query.scw
PDB file :
Tito_Scwrl_4KB0.pdb
: