Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
YRLGPLLGKGGFGTVFAGHRLTDRLQVAIKVIPRNRVLGWSPLSDSVTCPLEVALLWKVGAGGGHPGVIRLLDWFETQEGFMLVLERPLPAQDLFDYITEKGPLGEGPSRCFFGQVVAAIQHCHSRGVVHRDIKDENILIDLRRGCAKLIDFGSGALLHDEPYTDFDGTRVYSPPEWISRHQYHALPATVWSLGILLYDMVCGDIPFERDQEILEAELHFPAHVSPDCCALIRRCLAPKPSSRPSLEEILLDPWM
3R01 Chain:A ((11-263))
YQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSG--FSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWM
General information:
TITO was launched using:
RESULT:
Template:
3R01.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -187490 for 2052 contacts (-91.4/contact) +
2D Compatibility (PS) -27278 + (NN) -16033 + (LL) -344
1D Compatibility (HY) -30800 + (ID) 7900
Total energy: -269845.0 ( -131.50 by residue)
QMean score : 0.447
(partial model without unconserved sides chains):
PDB file :
Tito_3R01.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R01-query.scw
PDB file :
Tito_Scwrl_3R01.pdb
: