Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHESIEKNLNFVKKLNNVNDSVLKIENLALAYDNKKVLDGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIFA---------DNIKISYMPQNFSISKLMPITVEYFLLNSFSKKLKKNQSVITEVIELVGIGSILKNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVPCSDYIICIN-HTIYCQGKPGKIMEDRTLGEIFSSYIAK 3D31 Chain:A ((2-219)) -----------------------IEIESLSRKWKN-FSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRILLDGKDVTDLSPEKHDIAFVYQNYS--LFPHMNVKKNLEFGMRMKKIKDPKRVLDTARDLKIEHLLDRNPLTLSGGEQQRVALARALVTNPKILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQVGKPEEIFEKPVEGRVASFVGFE

General information: TITO was launched using: RESULT: Template: 3D31.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -206494 for 1652 contacts (-125.0/contact) + 2D Compatibility (PS) -22184 + (NN) -7556 + (LL) 1596 1D Compatibility (HY) -12400 + (ID) 2800 Total energy: -249838.0 ( -151.23 by residue) QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_3D31.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D31-query.scw PDB file : Tito_Scwrl_3D31.pdb: