Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDD--NPFGIYQKILAGKLYFPRHLDFHVKTGRMM
4OXJ Chain:A ((541-755))
------------------------------------------------------IGRG--GTVKLVHHKPTQIRYALKCVSKRSIISLNQQNNIKLEREITAENDHPFIIRLVRTFKD--CFYFLTELVTGGELYDAIRKLGLLSKPQAQFYLGSIILAIEYLHERNIVYRDLKPENILLDKQGYVKLIDFGCAKKIQGRAYTLVGTPHYMAPEVILGKGYGCTVDIWALGVCLYEFICGPLPFGNDQEDQLEIFRDILTGQLTFPDYVSDQDSINLMK
General information:
TITO was launched using:
RESULT:
Template:
4OXJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132451 for 1522 contacts (-87.0/contact) +
2D Compatibility (PS) -22187 + (NN) -7343 + (LL) 3504
1D Compatibility (HY) -25200 + (ID) 4950
Total energy: -188627.0 ( -123.93 by residue)
QMean score : 0.368
(partial model without unconserved sides chains):
PDB file :
Tito_4OXJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4OXJ-query.scw
PDB file :
Tito_Scwrl_4OXJ.pdb
: