Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDTMRQRILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRA-DSGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPAEMLSIADVEIDVPAHKVTRNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYRHPADTRLVNVHVQRLRAKVEKDPENPTVVLTVRGVGYKAGPP
1KGS Chain:A ((2-224))
----NVRVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKSTKLVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW-----VFSDVLRSHIKNLRKKVDKGF-KKKIIHTVRGIGYVARD-
General information:
TITO was launched using:
RESULT:
Template:
1KGS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142100 for 1651 contacts (-86.1/contact) +
2D Compatibility (PS) -23968 + (NN) -17506 + (LL) 280
1D Compatibility (HY) -16400 + (ID) 3900
Total energy: -203594.0 ( -123.32 by residue)
QMean score : 0.608
(partial model without unconserved sides chains):
PDB file :
Tito_1KGS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KGS-query.scw
PDB file :
Tito_Scwrl_1KGS.pdb
: