Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLHAVSESNIKQIPDMDYYFISGGLPSNYGGLTKSLLLRSKLFGEECNQNTFFLTFRF--DLELSSKIDELYSNGKIDKKFTSVINLFDDFLSVRTNGKRSYEERIGLDQI----KKQVGMGKFAKTLLRLFG-KKNNEMSVVYYGD--GETIRYVDYWNDKNQLIKREEYTKNGNLVLVTHYDVQLN--KMYLQEYINDQNQVYLDKLYVWNNEEKDVQLSHIIWYSLEG-EIKVKDESELRQYWIEYLQKQNDKPKLFLVDSRPQDKH-VFKV-KKSPSSYYGAIIHNKHYGSNKY---QIKGRYKEVFSQMYNLDAVFFITEEQLEDFKLISGE----QETFFFTPHTIDKPLDPAVLNVPSEKYKAVIISRLASMKNLIHAVKAFSLVVKEIPEAKLDIFGSGEDFEKIKKEIEDTKLQNNVFLKGYTDNPDSEFQKAWLTISTSHFEGFGLSNMEALSNGCPVVTYDYDYGARSLVTDGANGYVIEQYNI-------EKLGQAIISLMKDESTHQKFSEQAFKMAEKYSRPNYIENWAFALNQMIEVRIEREKFSKKVGKKDPSISSYTEDFDKTKIEIDIENFDHNDIKKIRLVGLDRKNKAEIISTNLQNDQLFVIDLEKDVNIEKIAANKTQVIDFYIVFNANGHIKTMRRLSSEETKLSGNSIDTNNGYRVEPYTTVKGNFSWRVTEIKES 4PQG Chain:A ((7-510)) --------------HHMTIYNINLGIGWASSGVEYAQAYRAGVFRKL-NLSSKFIFTDMILADNIQHLTANIG-----FDDN-QVIWLYNHFTDIKIAPTSV----TVDDVLAYFGGEESH--REKNGKVLRVFFFDQDKFVTCYLVDENKDLVQHAEYVFK-GNLIRKDYFSYTRY--CSEYFAPKDNVAVLYQRTFYNEDGTPVYDILMNQG---------KEEV--YHFKDKIFYGKQAFVRAFMKSLN--LNKSDLVILDRETGIGQVVFEEAQT-AHLAVVVHAEHYSENATNEDYILWNNYYDYQFTNADKVDFFIVSTDRQNEVLQEQFAKYTQHQPKIVTIPVGSIDSLTDS--SQGRKPFSLITASRLAKEKHIDWLVKAVIEAHKELPELTFDIYGSGGEDSLLREIIANHQAEDYIQLKGH-AELSQIYSQYEVYLTASTSEGFGLTLMEAIGSGLPLIGFDVPYGNQTFIEDGQNGYLIPSSSDHVEDQIKQAYAAKICQLYQE-NRLEAMRAYSYQIAEGFLTKEILEKWKKTVEEVLH-----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PQG.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 : 2532 64367 25.42 135.22 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 25.42 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_4PQG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PQG-query.scw PDB file : Tito_Scwrl_4PQG.pdb: