Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDSNLTNPIKAFFHDEFPEQYQEPPGLQKNMKPVPDCGEKSYKGSGKLTGRKALVTGGDSGIGRAAAIAYAREGADVAINYLPEEQPDAEEVKELIEAEGRKAVLIPGDLSDESFCQDLVKQSHHELGGLDVLALVAGKQQAVENIEDLPTEQIYKTFEVNVFSLYWVVKAALPYLPEGASIITTTSVEGYNPSPMLLDYAATKNAIIGFTVGLGKQLASKGIRVNSVAPGPIWTPLQISGGQPTENIPKFGQGTPPAPLNRAGQPVELADVYVFLASENSSYVTSQVYGITGGIPTA 3I3O Chain:F ((22-287)) -------------------------PGIESLMNPLPQFEDPNYKGSEKLKGKNVLITGGDSGIGRAVSIAFAKEGANIAIAYLDEE-GDANETKQYVEKEGVKCVLLPGDLSDEQHCKDIVQETVRQLGSLNILVNNVAQQYPQQGLEYITAEQLEKTFRINIFSYFHVTKAALSHLKQGDVIINTASIVAYEGNETLIDYSATKGAIVAFTRSLSQSLVQKGIRVNGVAPGPIWTPL-IPSSFDEKKVSQFGSNV---PMQRPGQPYELAPAYVYLASSDSSYVTGQMIHVNGGV---

General information: TITO was launched using: RESULT: Template: 3I3O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1571 -104405 -66.46 -392.50 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain F : 0.84 3D Compatibility (PKB) : -66.46 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_3I3O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I3O-query.scw PDB file : Tito_Scwrl_3I3O.pdb: