Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKVFITTGTEHYLRQLMANYTGGNVTLLQNFSQSLLYQESTGEKLFQEGAEYRVLQSSGSIKGFGVVVFEYIHLRDEEIPIFLQMYQRASLHFSETPGLQSTKLTKAMNM-NKFLIISFWDSEVFFHDWKKSPLSKEITNIMRKNNTQSGFSHEDIYHYPEFSHDAK
3KG0 Chain:A ((21-112))
---------------------------------------------------------------ADEVTFVNRFTVHGA-PAEFESVFARTAAFFARQPGFVRHTLLRERDKDNSYVNIAVWTDHDAFRRALAQPGFLPHATALRALST----SEHGLFTA--------
General information:
TITO was launched using:
RESULT:
Template:
3KG0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -32689 for 614 contacts (-53.2/contact) +
2D Compatibility (PS) -10109 + (NN) -4821 + (LL) 4872
1D Compatibility (HY) -1200 + (ID) 750
Total energy: -44697.0 ( -72.80 by residue)
QMean score : 0.383
(partial model without unconserved sides chains):
PDB file :
Tito_3KG0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KG0-query.scw
PDB file :
Tito_Scwrl_3KG0.pdb
: