Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVKQ--EKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQDLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV
1VPA Chain:B ((17-226))
-----ILLAAGKGERMSENVPKQFLEIEGRMLFEYPLSTFLKSEAIDGVVIVTR---REWFEVVEKRVFHEKVLGIVEGGDTRSQSVRSALEFLEKFSPSYVLVHDSARPFLRKKHVSEVLRRARETGAATLALKNSDALVRVENDRI-EYIPRKGVYRILTPQAFSYEILKKAH----ENGGEWADDTEPVQKL-GVKIALVEGDPLCFKVTFKEDLELARII----------
General information:
TITO was launched using:
RESULT:
Template:
1VPA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104559 for 1660 contacts (-63.0/contact) +
2D Compatibility (PS) -22625 + (NN) -11772 + (LL) 1696
1D Compatibility (HY) -16000 + (ID) 3550
Total energy: -156810.0 ( -94.46 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_1VPA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VPA-query.scw
PDB file :
Tito_Scwrl_1VPA.pdb
: