Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTQQEMITINAELRDVTKTKAIRSLRKKGNIPAVVYGKGHNNVNLTLSAKEFTKQYKLGFLSAHVIELDISGKKEY-ALVRDIQWHVVKDTIQHVDFQFVDKGSEIKIDIPLSFVNESKSPGIKLGGVLNVLCRSIT-VKCSPDKIPQAIEVDLSGKMIGQSVHISDVKLPGGVKLAAHEEENFTVVTISAADSGVEESQVETTEE
3PIO Chain:S ((19-175))
------------------------------IAAVAYNK-ENNVSFALDRKAFDRAFRQQSTTG-LFDITVEGGETFPALVKAVQMDKRKRAPIHVDFYMVTYGEPVEVSVPVHTTGRSQ--GEVQGGLVDIVVHNLQIVAPGPRRIPQELVVDVTKMNIGDHITAGDIKLPEGCTLAADPE--LTVVSVLPPR-------------
General information:
TITO was launched using:
RESULT:
Template:
3PIO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108710 for 1004 contacts (-108.3/contact) +
2D Compatibility (PS) -16839 + (NN) -5239 + (LL) 3264
1D Compatibility (HY) -12800 + (ID) 2450
Total energy: -142774.0 ( -142.21 by residue)
QMean score : 0.421
(partial model without unconserved sides chains):
PDB file :
Tito_3PIO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PIO-query.scw
PDB file :
Tito_Scwrl_3PIO.pdb
: