Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNEIQILNNGYPMPSVGLGVYKISDEDMTKVVNAAIDAGYRAFDTAYFYDNEASLGRALKDNGVDREDLFITTKLWNDYQGYEKTFEYFNKSIENLQTDYLDLFLIHWPCEADGLFLETYKAMEELYEQGKVKAIGVCNFNVHHLEKLMAQSSIKPMVNQIEVHPYFNQQELQEFCDRHDIKVTAWMPLMRNRGLLDNPVIVKIAEKYHKTPAQVVLRWHLAHNRIIIPKSQTPKRIQENIDILDFNLELTEVAEIDALDR-NARQGKNPDDVKIGDLK
3WBY Chain:A ((19-281))
-------FHDGHTMPQIGLGVWETPPDETAEVVKEAVKLGYRSVATARLYKNEEGVGKGLEDH----PEIFLTTKLWNDEQGYDSTLRAYEESARLLRRPVLDLYLIHWPMPAQGQYVETWKALVELKKSGRVKSIGVSNFESEHLERIMDATGVVPVVNQIELHPDFQQRALREFHEKHNIRTESWRPLGKGR-VLSDERIGKIAEKHSRTPAQVVIRWHLQNGLIVIPKSVNPKRLAENLDVFGFVLDADDMQAIEQMDRKDGRMGADPNTAK-----
General information:
TITO was launched using:
RESULT:
Template:
3WBY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133212 for 2202 contacts (-60.5/contact) +
2D Compatibility (PS) -28546 + (NN) -14857 + (LL) 1004
1D Compatibility (HY) -22000 + (ID) 5950
Total energy: -203561.0 ( -92.44 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_3WBY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WBY-query.scw
PDB file :
Tito_Scwrl_3WBY.pdb
: