Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTKPLQGPPAPPGTPTPPPGGKDREAFEAEYRLGPLLGKGGFGTVFAGHRLTDRLQVAIKVIPRNRVLGWSPLSDSVTCPLEVALLWKVGAGGGHPGVIRLLDWFETQEGFMLVLERPLPAQDLFDYITEKGPLGEGPSRCFFGQVVAAIQHCHSRGVVHRDIKDENILIDLRRGCAKLIDFGSGALLHDEPYTDFDGTRVYSPPEWISRHQYHALPATVWSLGILLYDMVCGDIPFERDQEILEAELHFPAHVSPDCCALIRRCLAPKPSSRPSLEEILLDPWMQT---PAEDVPLNPSKGGPAPLAWSLLP
2XJ1 Chain:A ((21-294))
--------------------------PLESQYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSG--FSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVS-ECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLHS------------
General information:
TITO was launched using:
RESULT:
Template:
2XJ1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170294 for 2217 contacts (-76.8/contact) +
2D Compatibility (PS) -29274 + (NN) -17548 + (LL) -1016
1D Compatibility (HY) -28000 + (ID) 7300
Total energy: -253432.0 ( -114.31 by residue)
QMean score : 0.391
(partial model without unconserved sides chains):
PDB file :
Tito_2XJ1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XJ1-query.scw
PDB file :
Tito_Scwrl_2XJ1.pdb
: