Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKLAVCLSIVLLLLGAASPISAHTVYPVNPNAQQTTKDIMNWLAHLPNRSENRVMSGAFGGYSDVTFSMTEENRLKNATGQSPAIYGCDYGRGWLETADITDTIDYCCNSSLISYWKSGGLPQVSLHLANPAFPSGNYKTAISNSQYKNILDPSTVEGKRLEALLSKIADGLTQLKNQGVTVLFRPLHEMNGEWFWWGLTGYNQKDNERISLYKELYKKIYRYMTETRGLDNLLWVYSPDANRDFKTDFYPGSSYVDITGLDAYFTDPYAISGYDEMLSLKKPFAFAETGPSGNIGSFDYAAFINAIRQKYPQTTYFLTWDEQLSPAANQGAQSLYQNSWTLNKGEIWNGGSLTPIAE 3CBW Chain:B ((11-345)) -------------------------TVSPVNPNAQQTTKTVMNWLAHLPNRTENRVLSGAFGGYSHDTFSMAEADRIRSATGQSPAIYGCDYARGWLETANIEDSIDVSCNGDLMSYWKNGGIPQISLHLANPAFQSGHFKTPITNDQYKKILDSSTVEGKRLNAMLSKIADGLQELENQGVPVLFRPLHEMNGEWFWWGLTSYNQKDNERISLYKQLYKKIYHYMTDTRGLDHLIWVYSPDANRDFKTDFYPGASYVDIVGLDAYFQDAYSINGYDQLTALNKPFAFTEVGPQ-----FDYSLFINAIKQKYPKTIYFLAWN--------KGASALYHDSWTLNKGEIWNGDSLTPIVE

General information: TITO was launched using: RESULT: Template: 3CBW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1896 -160409 -84.60 -498.16 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.91 3D Compatibility (PKB) : -84.60 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3CBW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CBW-query.scw PDB file : Tito_Scwrl_3CBW.pdb: