Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTYALEIKGLRKIYSTGVEALRGVDLTVEEGDFYALLGPNGAGKSTTIGIITSLVNKTSGQVSVFGYDLD---TDIVRAKQQIGLVPQEFNFNPFET-VQQIVVNQAGYYGVSRKEAIKRSEKYLKQSNLWEKRSERARMLSGGMKRRLMIARALMHEPKLLILDEPTAGVDIELRREMWTFLRELNESGTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKSLLSKLQFETFIFDLEPYEEAFEITGYNHVFEDKQTLSVEVERNQGVNHIFEQLSEHGIKVLSMRNKSNRLEELFLKITEEKHQVGEKHV 4YMV Chain:A ((14-216)) -----------------LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVE-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -98736 for 1558 contacts (-63.4/contact) + 2D Compatibility (PS) -21696 + (NN) -6931 + (LL) 8948 1D Compatibility (HY) -16800 + (ID) 3200 Total energy: -138415.0 ( -88.84 by residue) QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_4YMV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMV-query.scw PDB file : Tito_Scwrl_4YMV.pdb: