Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQSLTLIPTLREVPADAEAKSHQLLLRAGFIRQN------TSGVYSYMPLAYKVIQNIQQIVREEMEK--IDAVEMLMPALQQAETWQESGRWYTYGPELMRLKDR--------------------HGREFALGATHEEVITSLVRDE-VKSYKRLPLTLYQIQSKFRDEKRPRFGLLRGREFIMKDAYSFHASAESLDETYQKMYEAYSNIFARCGINVRPVIADSGAMGGKDTHEFMALSAIGEDTIAYSDESQYAANIEMAEVLHQEVPSDEEPKALEKVHTPNVKTIEELTAFLQVSAEACIKSVLFKADDRFVLVLVRGDHEVNDIKVKNLLHAEVVELATHEEVIQQLGTEPGFVGPVGIHQDVEVYADQAVKAMVNAVAGANEGDHHYKNVNVNRDAQIKEFADLRFIKEGDPSPDGKGTIRFAEGIEVGQVFKLGTRYSEAMNATYLDENG-RAQPMLMGCYGIGVSR-TLSAIAEQHHDEK------G--LIWPKSVAPYDLHILALNMKNDGQRELAEKLYADLKAEGY-EVLYDDRAERAGVKFADSDLIGLPIRITVGKRA-D---------EGIVEVKIRQTGESTEISVDELSAFISKQ 1ATI Chain:A ((6-501)) -------------------DELVALCKRRGFIFQSSEIYGGLQGVYDYGPLGVELKNNLKQAWWRRNVYERDDMEGLDASVLTHRLVLHYSGHEATFADPMVDN---WTPPRYFNMMFQDLRGPRGGRGLLAYLRPETAQGIFVNFKNVLDATSRKLGFGIAQIGKAFRNEITPRNFIFRVREFEQMEIEYFVRPG-EDEYWHRYWVEERLKWWQEMGLSRENLVPY-QQPPESSAH----YAKATVDILYRFPHGSL----------------------------------------------------------E---------------------------------LEGI----------------------------------AQRTD-----------------F--------DLGSHT--KDQEALGITAR---VLRNEHST-QRLAYRDPETGKWFVPYVIEPSAGVDRGVLALLAEAFTREELPNGEERIVLKLKPQLAPIKVAVIPLVKNRPEITEYAKRLKARLLALGLGRVLYEDT-GNIGKAYRRHDEVGTPFAVTVDYDTIGQSKDGTTRLKDTVTVRDRDTMEQIRLHVDELEGFLRE-

General information: TITO was launched using: RESULT: Template: 1ATI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1868 -108044 -57.84 -285.83 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -57.84 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.386

(partial model without unconserved sides chains): PDB file : Tito_1ATI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ATI-query.scw PDB file : Tito_Scwrl_1ATI.pdb: