Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDIDRLSKRFSGRTVVNDLSFRIDRGEIVGLLGPNGAGKSTTLKMLSGFLAPSAGSVRIFGFDMQDKARQAQK--LIGYLPENAPSYGEMTVEGFLAFVASIRDYSGREKRRRIDSAMDCMELRDERRSIIETLSKGFKRRVALAQAILHDPELLLLDEPTDGLDPNQKHQVRQLVKNLSESK--IVVISTHILEEVSFMCSRALVINGGRLLADNTPGELRTRSRYHHAVSLSIEAPVDPLAIAMLPGVAGIEGRPDRAGTLTILARPGAQILPALNRLIHGSGWRVSGVRTEHGQLEEVFRQLTREPPA 2IT1 Chain:A ((4-227)) -IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIY---FDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKY------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2IT1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -100389 for 1756 contacts (-57.2/contact) + 2D Compatibility (PS) -23430 + (NN) -10170 + (LL) 5600 1D Compatibility (HY) -14000 + (ID) 3550 Total energy: -145939.0 ( -83.11 by residue) QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_2IT1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IT1-query.scw PDB file : Tito_Scwrl_2IT1.pdb: