Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKIAIVGLPNAGKSTLFNRILGRKAAVVSNIPGITRDRQEGVGRISDLELKIIDTGGWNDQTNFFLQIVEQIEFSLFSADIIFFLVDAKVQ-NEQNKEFAKWLKRRTNKSVILIANKCESYKSENIDYLQFFDFIGPVYISAEHNLGMVDLYNALAGVIDSSTNFSSVIPKPLPVIKVAGTGIQEKNEQISTLHAENQSNQPNRLRVAIIGRPNVGKSTFLNSLLSENRLITSSEPGTTRDSVDITYNHNGKLITLIDTAGIRRRANLIDNLELKFVKKSMESIKRSHVVVLMLDSLLGIKQQDLSIGEAAIKGGKGIIIVLNKWDLINKDDRSRLIKFVRQQEITRLFLE-VPTVTISALKGIRCSDVIDKCLEVNEFLNKKISTAKVNKWLVDALGRHPHPFVKGRAIRMKYIAQIGTKPPAFSLTCNVPEGVDESYKRYLTNDLRKNFFIDGIPVRLLLKKNKNPYVK 4DCU Chain:A ((26-454)) ---VAIVGRPNVGKSTIFNRIAGERIS-----------RIYSSAEWLNYDFNLIDTGG-----PFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKIL-YRTKKPVVLAVNKL--------YDFYSLGFGEPYPISGTHGLGLGDLLDAVA------EHF-----KNIPETKY--------NEEV--------------IQFCLIGRPNVGKSSLVNAMLGEERVIVSN------DAVDTSFTYNQQEFVIVDTAGMRKKGKVYETTEKYSVLRALKAIDRSEVVAVVLDGEEGIIEQDKRIAGYAHEAGKAVVIVVNKWDAVDKDE-STMKEFEENIRDHFQFLDYAPILFMSALTKKRIHTLMPAIIKASENHSLRVQTNVLNDVIMDAVAMNPTPTHNGSRLKIYYATQVSVKPPSFVVFVNDPELMHFSYERFLENRIRDAFGFEGTPIKIFARA-------

General information: TITO was launched using: RESULT: Template: 4DCU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -246711 for 3093 contacts (-79.8/contact) + 2D Compatibility (PS) -43222 + (NN) -19606 + (LL) 2832 1D Compatibility (HY) -28400 + (ID) 7150 Total energy: -342257.0 ( -110.66 by residue) QMean score : 0.561

(partial model without unconserved sides chains): PDB file : Tito_4DCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DCU-query.scw PDB file : Tito_Scwrl_4DCU.pdb: