Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQSLTLIPTLREVPADAEAKSHQLLLRAGFIRQ-NTSGVYSYMPLAYKVIQNIQQIVREEMEKIDAVEMLMPALQQAETWQESGRWYTYGPELMRLKDRHGREFALGATHEEVITSLVRDEVKSYKRLPLTLYQIQSKFRDEKRPRFGLLRGREFIMKDAYSFHASAESLDETYQKMYEAYSNIFAR-CGINVRPVIADSGAMGGKDTHEFMALSAIGEDTIAYSDESQYAANIEMAEVLHQEVPSDEEPKALEKVHTPNVKTIEELTAFLQVSAEACIKSVLFKADDRFVLVLVRGDHEVNDIKVKNLLHAEVVELATHEEVIQQLGTEPGFVGPVGIHQDVEVYADQAVKAMVNAVAGANEGDHHYKNVNVNRDAQIKEFADLRFIKEGDPSPDGKGTIRFAEGIEVGQVFKLGTRYSEAMNATYLDENGRAQPMLMGCYGIGVSRTLSAIAEQHHDEKGLIWPKSVAPYDLHILALNMKND---GQRELAEKLYADLKAEGYEVLYDDRA-ERAGVKFADSDLIGLPIRITVGKRA-DEGIVEVKIRQTGESTEISVDELSAFISKQ 4NCX Chain:A ((24-408)) -------------------DWYTQVIVKSELIEYYD--GCYILRPAAYYIWECVQAFFNKEIKKLNVENSYFPLFVT---------------------------------SETIMYSVFPKWIRSYRDLPLKLNQWNTVVRWEF--PTPFIRTREFLWQEGHTAHKNEEEAVKLVFDILDLYRRWYEEYLAVPIIKGIKS---------------------------------EGEKFGG---------------------------------A-------------------------------------------------------------------------------------------NFTS-T------------AEAFI------------S-ENGRAIQAATSHYLGTNFAKMFKIEFEDENEVKQYVHQTSWGC-TTRSIGIMIMTHGDDKGLVLPPNVSKYKVVIVPIFYKTTDENAIHSYCKDIEKILKNAQINCVYDDRASYSPGYKFNHWELRGIPIRIEVGPKDLQNNSCVIVRRDNNEKCNVKKESVLLETQ--

General information: TITO was launched using: RESULT: Template: 4NCX.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 : 1613 -172988 -107.25 -537.23 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -107.25 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_4NCX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NCX-query.scw PDB file : Tito_Scwrl_4NCX.pdb: