Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
YRLGPLLGKGGFGTVFAGHRLTDRLQVAIKVIPRNRVLGWSPLSDSVTCPLEVALLWKVGAGGGHPGVIRLLDWFETQEGFMLVLERPLPAQDLFDYITEKGPLGEGPSRCFFGQVVAAIQHCHSRGVVHRDIKDENILIDLRRGCAKLIDFGSGALLHDEPYTDFDGTRVYSPPEWISRHQYHALPATVWSLGILLYDMVCGDIPFERDQEILEAELHFPAHVSPDCCALIRRCLAPKPSSRPSLEEILLDPWM
2IWI Chain:A ((33-287))
YRLGPLLGKGGFGTVFAGHRLTDRLQVAIKVIPRNRVL--------VTCPLEVALLWKVGAGGGHPGVIRLLDWF-----FMLVLERPLPAQDLFDYITEKGPLGEGPSRCFFGQVVAAIQHCHSRGVVHRDIKDENILIDLRRGCAKLIDFGSGALLHDEPYTDFDGTRVYSPPEWISRHQYHALPATVWSLGILLYDMVCGDIPFERDQEILEAELHFPAHVSPDCCALIRRCLAPKPSSRPSLEEILLDPWM
General information:
TITO was launched using:
RESULT:
Template:
2IWI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -182235 for 1970 contacts (-92.5/contact) +
2D Compatibility (PS) -25973 + (NN) -17246 + (LL) 68
1D Compatibility (HY) -38800 + (ID) 12100
Total energy: -276286.0 ( -140.25 by residue)
QMean score : 0.443
(partial model without unconserved sides chains):
PDB file :
Tito_2IWI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IWI-query.scw
PDB file :
Tito_Scwrl_2IWI.pdb
: