Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKTLPKDFIFGGATAAYQAEGATHTDGKGPVAWDKYLE--------DNYWYTAEPASDFYNRYPVDLKLAEEYGVNGIRISIAWSRIFPTGYGQVNAKGVEFYHNLFAECHKRHVEPFVTLHHFDTPEALHSNGDFLNRENIEHFVDYAAFCFEEF-PEVNYWTTFNEIGPIGDGQYLVGKFPPGIQYDLAKVFQSHHNMMVSHARAVKLYKDKGYKGEIGVVHALPTKYPLDHENPADVRAAELEDI-IHNKFILDATYLGRYSAETMEGVNHILSVNGGSLDLREEDFTALEAAKDLNDFLGINYYMSDWMEAFDGETEIIHNGKGKKGSSKYQIKGVGRRVAPDYVPRTDWDWIIYPQGLYDQIMRVKKDYPNYKKIYITENGLGYKDEFVDNTVYDDGRIDYVKQHLEILSDAIADGANVKGYFIWSLMDVFSWSNGYEKRYGLFYVDFETQERYPKKSAHWYKKVAETQIID 1E4I Chain:A ((5-444)) ----FPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDN----GNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQKGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLT-NLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGI--APNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVD----WFAEQGATVPIQDGDMDIIGEPIDM---IGINYYSMS-VNRFNPEAGFLQSEEINMG-----------------LPVTDIGWPVESRGLYEVLHYLQK-YGNID-IYITENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDFRTQVRTPKQSYYWYRNVVSNNWLE

General information: TITO was launched using: RESULT: Template: 1E4I.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 : 2576 37170 14.43 86.44 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 14.43 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_1E4I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1E4I-query.scw PDB file : Tito_Scwrl_1E4I.pdb: