Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP
1V0P Chain:B ((2-286))
-EKYHGLEKIGEGTYGVVYKAQNN-YGETFALK-----------PSTTIREISILKELKHSNIVKLYDVIHT---LVLVFEHLDQDLKKLLDVCEGGLESVTAKSFLLQLLNGIAYCHDRRVLHRDLKPQNLLINREGELKIADFGLARAF-------------LWYRAPDVLMGSKKYSTTIDIWSVGCIFAEMVN-GTPLFPGVSEADQLMRIFRILGTPNSKNWPNVTELPKYDPNFTVYEPLPWESFLKGLDESGIDLLSKMLKLDPNQRITAKQALEHAYFKE----
General information:
TITO was launched using:
RESULT:
Template:
1V0P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158236 for 2006 contacts (-78.9/contact) +
2D Compatibility (PS) -27555 + (NN) -16028 + (LL) 1792
1D Compatibility (HY) -30000 + (ID) 7850
Total energy: -237877.0 ( -118.58 by residue)
QMean score : 0.559
(partial model without unconserved sides chains):
PDB file :
Tito_1V0P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1V0P-query.scw
PDB file :
Tito_Scwrl_1V0P.pdb
: