Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
YRLGPLLGKGGFGTVFAGHRLTDRLQVAIKVIPRNRVLGWSPLSDSVTCPLEVALLWKVGAGGGHPGVIRLLDWFETQEGFMLVLERPLPAQDLFDYITEKGPLGEGPSRCFFGQVVAAIQHCHSRGVVHRDIKDENILIDLRRGCAKLIDFGSGALLHDEPYTDFDGTRVYSPPEWISRHQYHALPATVWSLGILLYDMVCGDIPFERDQEILEAELHFPAHVSPDCCALIRRCLAPKPSSRPSLEEILLDPWM
3VBX Chain:A ((11-263))
YQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGEL---TRVPMEVVLLKKVSSG--FSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWM
General information:
TITO was launched using:
RESULT:
Template:
3VBX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -194947 for 2083 contacts (-93.6/contact) +
2D Compatibility (PS) -26861 + (NN) -16630 + (LL) -476
1D Compatibility (HY) -30800 + (ID) 7900
Total energy: -277614.0 ( -133.28 by residue)
QMean score : 0.439
(partial model without unconserved sides chains):
PDB file :
Tito_3VBX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VBX-query.scw
PDB file :
Tito_Scwrl_3VBX.pdb
: