Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTNNKVALVTGGAQGIGFKIAERLVEDGFKVAV-VDFNEEGAKAAALKLSSDGTKAIAIKADVSNRDDVFNAVRQTAAQFGDFHVMVNNAGLGPTTPIDTITEEQFKTVYGVNVAGVLWGIQAAHEQFKKFNHGGKIINATSQAGVEGNPGLSLYCSTKFAVRGLTQVAAQDLASEGITVNAFAPGIVQTPMMESIAVATAEEAGKPEAWGWEQFTSQIALGRVSQPEDVSNVVSFLAGKDSDYITGQTIIVDGGMRFR
3SJ7 Chain:A ((11-250))
----KSALVTGASRGIGRSIALQLAEEGYNVAVNYAGSKEKAEAVVEEIKAKGVDSFAIQANVADADEVKAMIKEVVSQFGSLDVLVNNAGITRDNLLMRMKEQEWDDVIDTNLKGVFNCIQKATPQMLR-QRSGAIINLSSVVGAVGNPGQANYVATKAGVIGLTKSAARELASRGITVNAVAPGFIVSDMT--------DEL-------KEQMLTQIPLARFGQDTDIANTVAFLASDKAKYITGQTIHVNGGM---
General information:
TITO was launched using:
RESULT:
Template:
3SJ7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100392 for 2017 contacts (-49.8/contact) +
2D Compatibility (PS) -25381 + (NN) -9383 + (LL) 1504
1D Compatibility (HY) -16000 + (ID) 5100
Total energy: -154752.0 ( -76.72 by residue)
QMean score : 0.615
(partial model without unconserved sides chains):
PDB file :
Tito_3SJ7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SJ7-query.scw
PDB file :
Tito_Scwrl_3SJ7.pdb
: