Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METYTLSNTLNIPKIGFGTWQLTEGEEAYKAVTHALKVGYTHIDTAQIYGNEHSVGRAIRDSGLARESIFLTTKIWNDKHDYHLAKASIDESLQKLGVDYIDLLLIHWPNPKALRENDAWKAGNAGTWKAMEEAYKEGKVKAIGVSNFMKHHLEALFETAEIKPMVNQIILAPGCAQEDLVRFCKGNDILLEAYSPFGTGAIFENESIKAIAEKYGKSVAQVALRWSLDNGFLPLPKSATPKNIEANLDIFDFQLNEDDITTLIQLDSGIKPKDPDNVSF
1VBJ Chain:A ((13-271))
----KLSNGVMMPVLGFGMWKLQDGNEAETATMWAIKSGYRHIDTAAIYKNEESAGRAIASCGVPREELFVTTKLWNSDQGYESTLSAFEKSIKKLGLEYVDLYLIHWPGKD----------KFIDTWKAFEKLYADKKVRAIGVSNFHEHHIEELLKHCKVAPMVNQIELHPLLNQKALCEYCKSKNIAVTAWSPLGQGHLVEDARLKAIGGKYGKTAAQVMLRWEIQAGVITIPKSGNEARIKENGNIFDFELTAEDIQVIDGMNAGHRYGPDPEVFM
General information:
TITO was launched using:
RESULT:
Template:
1VBJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125638 for 2245 contacts (-56.0/contact) +
2D Compatibility (PS) -28372 + (NN) -14335 + (LL) 1332
1D Compatibility (HY) -25200 + (ID) 5900
Total energy: -198113.0 ( -88.25 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_1VBJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VBJ-query.scw
PDB file :
Tito_Scwrl_1VBJ.pdb
: