Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPSHLTHIWRLLKWGRTLARHGALTGIERDPLTPTPVRRLVRVARLGARVPRQPRYADAFQSIGPAAIKLGQTLATRPDLVGEDAANDLLRLQDALPPVPFATIRAQMEQSFGRPLETLYSRFDEAPVGAASIAQVHRAVTTDGRDVAVKVIRPGVIDQFNRDIQTYEWAAAHVEMLGGEVARLRPRLVIANMKRWTARELDLRREAASASELGEAMEAMPGYRVPAIDWDRTTGKVMTMEWIDGVKISDRDALIAAGHDVKEIAARL-----VNAFLRQAIAEGFFHADMHQGNLFVTANGDIVAIDFGIMGRIDRRARMWLAEILYGLITGNYRRVAEIHFEAQYVP--GHHNVEEFATALRAVGEPMRGKPVRELSVG-------GMLDGLFAITRDFDMQTQPHLLLLQKTMVMVEGVATALDPDINLWETSGPYVKEWLRAELGPE-AKAADALIENVRILQR-LPGLVKRIEEAFPEKGGAPPPPPLTEVRLIRVGSGWRYMLVALLAGLAGAGAMAAATTFL 5CKW Chain:B ((6-410)) ------------------------------------TMKLLRF----------------------------HELKSLPGMDEKALELLIKVLGN-------KGIRKLIKSADGKP--------------------ISREIMIHEFGIDCQILFITTEASLKPIIVPTENKISYCEQFKVYALDDGKTYFLKSVKIDAESLTEFTNEKDTLSKLGR----LVGTFFN----EQTQVHYILTTFIKGIDLSRYKNALPLNVNLKHFWEVLGIMISVCHQVKQFHELGLIHRDLKPGNIMLDADMQCHLVDFGSSSSDKEPKPASWGTASY--------LAPELNAQEDFIAFSQVSDLFALAYSLDELFNPFRQVKFAKVDIGIKNKHLVLLHAEIEACITGLMSNETSVRTLYFSRILQLQRVPESFKSRPEAFTYLIMLLTQWKSCYEAPEMNKELDEIIAEIKVAYENHEQDAVKIITLLEQLSKAD-----------GLLNSHKALLSVLIKSLAN-----------

General information: TITO was launched using: RESULT: Template: 5CKW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1669 -44408 -26.61 -115.65 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -26.61 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.167

(partial model without unconserved sides chains): PDB file : Tito_5CKW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ckw-query.scw PDB file : Tito_Scwrl_5CKW.pdb: