Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKVFITTGTEHYLRQLMANYTGGNVTLLQNFSQSLLYQESTGEKLFQEGAEYRVLQSSGSIKGFGVVVFEYIHLRDEEIPIFLQMYQRASLHFSETPGLQSTKLTKAMNMNKFLIISFWDSEVFFHDWKKSPLSKEITNIMRKNNTQSGFSHEDIYHYPEFSHDAK
4KIA Chain:A ((2-160))
-KKVFITTGTEHYLRQLMANYTGGNVTLLQNFSQSLLYQESTG------GAEYRVLQSSGSIKGFGVVVFEYIHLRDEEIPIFLQMYQRASLHFSETPGLQSTKLTKAMNMNKFLIISFWDSEVFFHDWKKSPLSKEITNIMRKNNTQSGFSHEDIYHYP-------
General information:
TITO was launched using:
RESULT:
Template:
4KIA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -61577 for 1135 contacts (-54.3/contact) +
2D Compatibility (PS) -17070 + (NN) -9127 + (LL) 1292
1D Compatibility (HY) -22800 + (ID) 7650
Total energy: -116932.0 ( -103.02 by residue)
QMean score : 0.463
(partial model without unconserved sides chains):
PDB file :
Tito_4KIA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KIA-query.scw
PDB file :
Tito_Scwrl_4KIA.pdb
: