Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLQSSRLSSGATAPKQLHRDVPSPGRPVKTRMRCRFAVLKYFLLRVDVSVSIVYLLVLLCVAVPIVVVSQVYLTRMLVASWRTVHNTRVYYITERISISTISVRDIANGFMALNIPGGGSYGDHDLMENLCSSLDNYDKLTRFRALSLVSLETESAISCIHGIPTMDSMRTLTGYFSHDNIINGTYLIDSETYDFVQPPQMVTEWPESARDISAAKTTTYSGVPILELLPAYLDGSVDSVDSRHHWILPTIMPHIICYILPVGYLARGRTDISSVRYTDFTQVLLDGSRMLLDYDFVEAPGLAMAAFINQSLADDDPLVLSNSWGQPSVSNDSIYSIFTTVPVTYLKASNISDPLMRAALQHVDLAALQHEGYRRSVDFEYAGAAAVVTAYAYTTAQGLVVPLVVASSHAAITTPYLFLMRIFDGILVAVIVLLTGVSFNSARCLISQPLRRITALMLASMSAGRRALFYTTTSNTLLQLTEVHALIKAHNAAMQQLREIDAFVPDELRAEGRAQRAYSSVSNIASSMGISNGRKVTKFGSRCLDTHLSTAVFVTIRAPAALSSSSAVLPRTPSPPPILAEQGEQKPLRGQRLVSVVKHAAQAANTANSGPFPTPAALTAFITAVHELCHTHHGTLHRLCPDACVLHFNSAVRAHLPRGPGDASAAAAPAAAPPAPAARHGVPAAQSAPQPRPPRATRQEEMRLRAAQDARNAAAFALDLVNWTAAQSGSGENAQRDGTAAMPDVRALLDTSMFTCGQYRPAGSEQTLQVALGRDVQRDLGRVPQRIGVRVAMTEETATLLRAEDDSGSRGRGNMDAGVRQIPVDVLRTGRAGLDGDVVVLYEALPGRVAGDAAWQLYARCCCGGFEHMLRGDYAGALAAYRGVAEIADLEPGLLPAAMRREAAASAVTGGAVSVQVARLMRECERRVRLRITEPLCTAISSLLGVDQVLSKWALEDVPEGSHPDCAQEALVEAEKSIADGRLRRSSRRSAQSFGELAKYPEVRHRCVVHFQERQVTLRCVLPSAPRWIRDHIGLCWHLSRSHGTDEATPVWSGMQMALGSAGFIASVSFSTFRDLHPVVAKAIRDAPPGPMSDALRSATPVCGPSPEQEAFMKATLLKHQHLRHPNIVSLIGYSHSLEGGVVLIWEFSPGGTLRELLNRYGRLPAITTIRFGLHALSALSFLHENNIAHGNLNLDTVMVDS---DGSCRLV--GLYTH----ERLPFALPQTHYISPLMATGALPTPACDVFCYGLGALEGLTLQPCWRWATKEDGEPYGAASELLDLMKNGGHAFCDAVVQGRVVANAEAFDTPLFAEKYSELARSTLRSCVSHTPSDRPTAVEVRNIVKILLSEGGLACEEDEV 3N51 Chain:A ((69-291)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DKESLLREVQLLKQ-LDHPNIMKLYEFFED-KGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYD-EKCDV--WSTGVILYILLSGC---------PPFNGANE-YDILK-------------KVEKGKYTFELPQW-KKVSESAKDLIRKMLTYVPSMRISA-----------------------

General information: TITO was launched using: RESULT: Template: 3N51.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 : 809 -35719 -44.15 -179.49 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -44.15 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_3N51.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N51-query.scw PDB file : Tito_Scwrl_3N51.pdb: