Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTQQEMITINAELRDVTKTKAIRSLRKKGNIPAVVYGKGHNNVNLTLSAKEFTKQYKLGFLSAHVIELDISGKKEY-ALVRDIQWHVVKDTIQHVDFQFVDKGSEIKIDIPLSFVNESKSPGIKLGGVLNVLCRSIT-VKCSPDKIPQAIEVDLSGKMIGQSVHISDVKLPGGVKLAAHEEENFTVVTISAADSGVEESQVETTEE
3DLL Chain:S ((19-175))
------------------------------IAAVAYNK-ENNVSFALDRKAFDRAFRQQSTTG-LFDITVEGGETFPALVKAVQMDKRKRAPIHVDFYMVTYGEPVEVSVPVHTTGRSQ--GEVQGGLVDIVVHNLQIVAPGPRRIPQELVVDVTKMNIGDHITAGDIKLPEGCTLAADPE--LTVVSVLPPR-------------
General information:
TITO was launched using:
RESULT:
Template:
3DLL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104622 for 1028 contacts (-101.8/contact) +
2D Compatibility (PS) -16352 + (NN) -2217 + (LL) 3264
1D Compatibility (HY) -12800 + (ID) 2450
Total energy: -135177.0 ( -131.50 by residue)
QMean score : 0.316
(partial model without unconserved sides chains):
PDB file :
Tito_3DLL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DLL-query.scw
PDB file :
Tito_Scwrl_3DLL.pdb
: