Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
YRLGPLLGKGGFGTVFAGHRLTDRLQVAIKVIPRNRVLGWSPLSDSVTCPLEVALLWKVGAGGGHPGVIRLLDWFETQEGFMLVLERPLPAQDLFDYITEKGPLGEGPSRCFFGQVVAAIQHCHSRGVVHRDIKDENILIDLRRGCAKLIDFGSGALLHDEPYTDFDGTRVYSPPEWISRHQYHALPATVWSLGILLYDMVCGDIPFERDQEILEAELHFPAHVSPDCCALIRRCLAPKPSSRPSLEEILLDPWM
3VBW Chain:A ((11-263))
YQVGPLLG----GSVYSGIRVSDNLPVAIKHVEKDRISDWGEL---TRVPMEVVLLKKVSSG--FSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWM
General information:
TITO was launched using:
RESULT:
Template:
3VBW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -197130 for 2002 contacts (-98.5/contact) +
2D Compatibility (PS) -26225 + (NN) -14196 + (LL) -624
1D Compatibility (HY) -30400 + (ID) 7750
Total energy: -276325.0 ( -138.02 by residue)
QMean score : 0.444
(partial model without unconserved sides chains):
PDB file :
Tito_3VBW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VBW-query.scw
PDB file :
Tito_Scwrl_3VBW.pdb
: