Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASEREQISRKVALIALIANLILMAGKVFFGLVGDSEAVFADGIHSAADVVASIAVLAVIGISNKPPDQDHPFGHGKAEVISEAIVGIILVIVSVYILIEAILSFVKGPSVPQYSALFAALISYVAKEILYRYSIKQGKKW---NSKAIIAIAYDHKGDIVASLAAFIGVLLAIIGNSRGWSYLLYADAIASAIVAYLIFKISMELIRPSVDVLMEKSVDPELIEEYKAVIFQCDQVKRIDRIRAREHGHYKLLDVRLSLDHDLTIKQGHDIAREIRNEIKRQFSDVEEVLIHVNPYFEE 3J1Z Chain:P ((23-288)) --------------------LTLITIKLLAWLYSGSASMLASLTDSFADTLASIINFIAIRYAIVPADHDHRYGHGKAEPLA-ALAQSAFIMGSAFLLLFYGGERLLNPS-PVENATLGVVVSVVAIVLTLALVLLQKRALAATNSTVVEADSLHYKSDLFLNAA----VLLALVLSQYGW---WWADGLFAVLIACYIGQQAFDLGYRSIQALLDRELDEDTRQRIKLIAKEDPRVLGLHDLRTRQAGKTVFIQFHLELDGNLSLNEAHSITDTTGLRVKAAFEDA-EVIIHQDP----

General information: TITO was launched using: RESULT: Template: 3J1Z.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 1100 -118911 -108.10 -452.13 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain P : 0.74 3D Compatibility (PKB) : -108.10 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.302

(partial model without unconserved sides chains): PDB file : Tito_3J1Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J1Z-query.scw PDB file : Tito_Scwrl_3J1Z.pdb: