Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKLCTISDSQALLEVSYKTFDET-FRAQ------NKPENMDAYLKTNFTAKKLSDELKNPHSYFYFVFHQEAIAGYLKLNIGDAQTEEIAGNTIEIERIYVLKSFQKKGLGKELFNQAIEIAKEVD-AKKIWLGVWEKNKNAIQFYAKLGFIKNGQHDFF---MGDDCQTDIIMIKDL
2I79 Chain:A ((6-170))
LIREAEPKDAAELVAFLNRVSLETDFTSLDGDGILLTSEEMEIFL---------NKQASSDNQITLLAFLNGKIAGIVNITADQRKR---VRHIGDL-FIVIGKRYWNNGLGSLLLEEAIEWAQASGILRRLQLTVQTRNQAAVHLYQKHGFVIEGSQERGAYIEEGKFIDVYLMGKL-
General information:
TITO was launched using:
RESULT:
Template:
2I79.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92603 for 1097 contacts (-84.4/contact) +
2D Compatibility (PS) -16822 + (NN) -4747 + (LL) 1360
1D Compatibility (HY) -8000 + (ID) 1700
Total energy: -122512.0 ( -111.68 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_2I79.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I79-query.scw
PDB file :
Tito_Scwrl_2I79.pdb
: