Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDD--NPFGIYQKILAGKLYFPRHLDFHVKTGRMM
4WJC Chain:A ((541-755))
------------------------------------------------------IGRGTFGTVKLVHHKPTQIRYALKCVSKRSIISLNQQNNIKLEREITAENDHPFIIRLVRTFKDSNCFYFLTELVTGGELYDAIRKLGLLSKPQAQFYLGSIILAIEYLHERNIVYRDLKPENILLDKQGYVKLIDFGCAKKIQGRAYTLVGTPHYMAPEVILGKGYGCTVDIWALGVCLYEFICGPLPFGNDQEDQLEIFRDILTGQLTFPDYVSDQDSINLMK
General information:
TITO was launched using:
RESULT:
Template:
4WJC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133550 for 1574 contacts (-84.8/contact) +
2D Compatibility (PS) -22294 + (NN) -6027 + (LL) 3116
1D Compatibility (HY) -25600 + (ID) 5050
Total energy: -189405.0 ( -120.33 by residue)
QMean score : 0.451
(partial model without unconserved sides chains):
PDB file :
Tito_4WJC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WJC-query.scw
PDB file :
Tito_Scwrl_4WJC.pdb
: