Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVLKE-VSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLV---DRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
1XJD Chain:A ((16-246))
---------------------------------------------IEDFILHKMLGKGSFGKVFLAEFKKTNQFFAIKALKKDVVLMDDDVECTMVEKRVLSLAWEHPFLTHMFCTFQTKENLFFVMEYLNGGDLMYHIQSCHKFDLSRATFYAAEIILGLQFLHSKGIVYRDLKLDNILLDKDGHIKIADFGMCKENMLGDAKTNTFCGTPDYIAPEILLGQKYNHSVDWWSFGVLLYEMLIGQSPFHGQDEEELFHSIRMDNPFYPRWLEKEAKDLLVK
General information:
TITO was launched using:
RESULT:
Template:
1XJD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133815 for 1749 contacts (-76.5/contact) +
2D Compatibility (PS) -23900 + (NN) -6218 + (LL) 2352
1D Compatibility (HY) -22400 + (ID) 4450
Total energy: -188431.0 ( -107.74 by residue)
QMean score : 0.351
(partial model without unconserved sides chains):
PDB file :
Tito_1XJD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XJD-query.scw
PDB file :
Tito_Scwrl_1XJD.pdb
: