Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAHILVSGATSGFGLEIAKAFLQKNHVVFGTGRRQENLQKL--QLAYPKRFIPLCFDLQNKPETKRAIETIFSMTDRIDALINNAGLALGLNKAYECELDDWEVMIDTNIKGLLHLTRLILPSMIEHDQG-TIINLGSIAGTYAYPGGNVYGASKAFVKQFSLNLRADLAGTNIRVSNVEPGLCGETEFSMVRFKGDKIKAQSVYENTLYLKPQDIANIVLWIYEQPSHVNINRIEIMPTSQTFAPLPTHKNP
2NWQ Chain:A ((24-269))
---LFITGATSGFGEACARRFAEAGWSLVLTGRREERLQALAGELSAKTRVLPLTLDVRDRAAMSAAVDNLPEEFATLRGLINNAGLALGTDPAQSCDLDDWDTMVDTNIKGLLYSTRLLLPRLIAHGAGASIVNLGSVAGKWPYPGSHVYGGTKAFVEQFSLNLRCDLQGTGVRVTNLEPGLC-E--------------------GAHPIQPEDIAETIFWIMNQPAHLNINSLEIMPVSQSWAGFAIH---
General information:
TITO was launched using:
RESULT:
Template:
2NWQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110964 for 1803 contacts (-61.5/contact) +
2D Compatibility (PS) -23800 + (NN) -6617 + (LL) 1732
1D Compatibility (HY) -22000 + (ID) 5650
Total energy: -167299.0 ( -92.79 by residue)
QMean score : 0.432
(partial model without unconserved sides chains):
PDB file :
Tito_2NWQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NWQ-query.scw
PDB file :
Tito_Scwrl_2NWQ.pdb
: