Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTYALEIKGLRKIYSTGVEALRGVDLTVEEGDFYALLGPNGAGKSTTIGIITSLVNKTSGQVSVFGYDLDTD--IVRAKQQIGLVPQEFNFNPFETV-QQIVVNQAGYYGVSRKEAIKRSEKYLKQSNLWEKRSERARMLSGGMKRRLMIARALMHEPKLLILDEPTAGVDIELRREMWTFLRELNESGTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKSLLSKLQFETFIFDLEPYEEAFEITGYNHVFEDKQTLSVEVERNQGVNHIFEQLSEHGIKVLSMRNKSNRLEELFLKITEEKHQVGEKHV 4U00 Chain:A ((3-228)) --PIIRIRNLHKWFGP-LHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTR-------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U00.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -132870 for 1838 contacts (-72.3/contact) + 2D Compatibility (PS) -24620 + (NN) -9814 + (LL) 7100 1D Compatibility (HY) -17200 + (ID) 3200 Total energy: -180604.0 ( -98.26 by residue) QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_4U00.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U00-query.scw PDB file : Tito_Scwrl_4U00.pdb: