Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKYHGLEKIGEGTYGVVYKAQNN-YGETFALKKIRLEKEDEGIPSTTIREISILKELKHSNIVKLYDVIHTKKRLVLVFEHLDQDLKKLLDVCE-GGLESVTAKSFLLQLLNGIAYCHDRRVLHRDLKPQNLLINREGELKIADFGLARAFGIPVRKYTHEVVTLWYRAPDVLMGSKKYSTTIDIWSVGCIFAEMVNGTPLFPGVSEADQLMRIFRILGTPNSKNWPNVTELPKYDPNFTVYEPLPWESFLKGLDESGIDLLSKMLKLDPNQRITAKQALEHAYFKENN
3PY1 Chain:A ((9-296))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQD--
General information:
TITO was launched using:
RESULT:
Template:
3PY1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149087 for 2236 contacts (-66.7/contact) +
2D Compatibility (PS) -30403 + (NN) -11556 + (LL) -160
1D Compatibility (HY) -36400 + (ID) 9100
Total energy: -236706.0 ( -105.86 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_3PY1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PY1-query.scw
PDB file :
Tito_Scwrl_3PY1.pdb
: