Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVK--QEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQDLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV
1VPA Chain:A ((13-231))
-MNVAILLAAGKGERMSENVPKQFLEIEGRMLFEYPLSTFLKSEAIDGVVIVTRREWFEVVEKRVFHE--KV-LGIVEGGDTRSQSVRSALEFLEKFSPSYVLVHDSARPFLRKKHVSEVLRRARETGAATLALKNSDALVRVEND-RIEYIPRKGVYRILTPQAFSYEILKKAHEN----GGEWADDTEPVQKLG-VKIALVEGDPLCFKVTFKEDLELARIIAREWE-----
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) -110947 for 1801 contacts (-61.6/contact) +
2D Compatibility (PS) -23866 + (NN) -11492 + (LL) 580
1D Compatibility (HY) -13600 + (ID) 3400
Total energy: -162725.0 ( -90.35 by residue)
QMean score : 0.517
(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
: