Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
YRLGPLLGKGGFGTVFAGHRLTDRLQVAIKVIPRNRVLGWSPLSDSVTCPLEVALLWKVGAGGGHPGVIRLLDWFETQEGFMLVLERPLPAQDLFDYITEKGPLGEGPSRCFFGQVVAAIQHCHSRGVVHRDIKDENILIDLRRGCAKLIDFGSGALLHDEPYTDFDGTRVYSPPEWISRHQYHALPATVWSLGILLYDMVCGDIPFERDQEILEAELHFPAHVSPDCCALIRRCLAPKPSSRPSLEEILLDPWM
3VC4 Chain:A ((11-263))
YQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSG--FSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWM
General information:
TITO was launched using:
RESULT:
Template:
3VC4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -190048 for 2055 contacts (-92.5/contact) +
2D Compatibility (PS) -27141 + (NN) -16489 + (LL) -344
1D Compatibility (HY) -30800 + (ID) 7900
Total energy: -272722.0 ( -132.71 by residue)
QMean score : 0.483
(partial model without unconserved sides chains):
PDB file :
Tito_3VC4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VC4-query.scw
PDB file :
Tito_Scwrl_3VC4.pdb
: