Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MLAILGFVM-----------MIVFMYLIMSNRLSALIALIV--VPIVFALISGFGKDLGEMMIQGVTDLAPTGIMLLFAI-----LYFGIMIDSGLFDPLIAKILSFVKGDPLKIAV--GTAVLTMTISLDGDGTTTYMITIAAMLPLYKRLGMNRLVLAGIAMLGSGVMNIIPWGGPTARVLASLKLDTSEVFTPLIPAMIAGILWV--------IAVAYILGKKERKRLGVISIDHAPSSDPEAAP-LKRPALQWFNLLLTVALMAALITSLLPLPVLFMTAFAVALMVNYPNVKEQQKRISAHAGNALNVVSMVFAAGIFTG--ILSGTKMVDAMAHSLVSLIPDAMGPH------LPLITAIVSMPFTFFMS---NDAFYFGVLPIIAEAASAYGIDAAEIGRASLLGQPVHLLSPLVPSTYLLVGMAGVS------FGDHQKFTIKWAVGTTIVMTIA-------ALLIGIISF 5DIY Chain:B ((2-473)) EYFRYRGIIEGFYGKPWEHQERLDMFEFMQANNLNAYIYAPKQDLYHRELWREPYKEEQLQLFKELIEKAGSCGINFTFAISPGLSLVYS---SEEELETLIRKITPFLEMGVHSIGIFFDNVPFDLIHEEDRNSYSNLAEAQADFLTRVLQRLESTISTPQIIMC------------PTFYCN-DPNLEYLRILGQRLPKNI-DVFWTGPNVCSHEITTSHMQEVQKSLQRPATLWDNYPVNDGGMMPELHIGPYDHRDPELHTHVVGIYANPMALPEASKLPLYTFAQYLNSPSQYNPQDSWRQAVSTLLGEDNLSAMEKFYQSNTISCLEPEEPAYLTNLFKKVQEDFASFRFEQGLRTLREEIISMQTTYSRLSTQDSKFFWEIRPWLEEYKLWTDYLDQAMITFSNLFARESLQKALQGRTYLREVLKDAVDFRTRVCGDVVRNFLQQVLRSTVSIELQAEGKEWTALPPGIVR-

General information: TITO was launched using: RESULT: Template: 5DIY.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 : 2061 -124991 -60.65 -306.35 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -60.65 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.117

(partial model without unconserved sides chains): PDB file : Tito_5DIY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DIY-query.scw PDB file : Tito_Scwrl_5DIY.pdb: