Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------MSLIRTRKKIVSSAIASSLSMIATTAMAQEAV---SQLPTIHTKATQEESLKVDQSANSKFVA-----------PLKDTPKSVSILSQKLIKDTNSNTLLEALRYEPGITLGAGEGGTPFTDMPYIRGYSGQSSIYVDGVRNTTSQNR--------DMFAIEQVEVIKGSSSALGGGGSVGGSINLIPKVAHEGDVYQGSVQSGTDNYRHIQLDANKDFGNGIAGRVVIMGHENEKAGQSNGAEYKRVGIAPSITFGLDTATRGTLSYYYLRSNDEPDAGIPFNNANPAKPPVGVTVTPGGGKPVDVKAGTYYGWKARDFDKRENHIGTFKLEHDFNENLTLSNIATYNKSKSDYVYTNADDSKGNIYRGTVARRALSRILDTDAYSDQLSLRGKFNTGSLKHSFNVGTEWSFQETDQGVHTFTNAAGETTSTILDSNIQNCTSAAAVANGWCTSLNNPGNGAFTDKRGSITAQSTTRSHNVGIYALDSIEFNPQWLLNLGVRWDKFETEKKYNKDVDGRTPHKAGDKLESDTDYFSYQAGLVFKPTEDGSIYLSYATSANPVGVLAEGDTGSDSISDSGTASASANALKPEEARTFELGTKWDLFNNRANLTAAVFRTEKQNTRIQIDPNTTA----------NAGKSKVDGFEISLNGKITDKWDVSTGYSYLDSEITEAAYNAVAQEGKPLPFVAKNSATLWSTYRVMPQLTLGAGVEYRDQVFVNTT-------APKYLPTYTIYNAVAKYDVNKNVNLQLNINNISDKRYFTSAHAAHYAFEGNGRNAVLAINFKY 2IAH Chain:A ((1-772)) QEVEFDIPPQALGSALQEFGRQADIQVLYRPEEVRNKRSSAIKGKLEPNQAITELLRGTGASVDFQGNAITISVATITEDSGSYTPGTIATATRLVLTPRETPQSITVVTRQNMDDFGLNNIDDVMRHTPGITVSAYDTD---RNNYYARGFSI-NNFQYDGIPSTARNVGYSAGNTLSDMAIYDRVEVLKGATGLLTGAGSLGATINLIRKKPTHEFKGHVELGAGSWDNYRSELDVSGPLTESGNVRGRAVAAYQDKHSFMDHYERKTSVYYGILEFDLNPDTMLTVGADYQDNDPK---GSGWSG--------SFPLFDSQGNRNDVSRSFNNGAKWSSW-EQYTRTVFANLEHNFANGWVGKVQLDHKINGYHAPLGAIMGDWPA-PDNSAKIVAQKYTGETKSNSLDIYLTGPFQFLGREHELVVGTSASFSHWEGKSYWNLRNYDNTTDDF---------------INWDGDIGKP-------DWGTPSQYIDDKTRQLGSYMTARFNVTDDLNLFLGGRVVDYRVTGLNPT--------------IRESGRFIPYVGAVYDLNDTYSVYASYTDIFMPQDSWYRDSSN--------------KLLEPDEGQNYEIGIKGEYLDGRLNTSLAYFEIHEENRAEEDALYNSKPTNPAITYAYKGIKAKTKGYEAEISGELAPGWQVQAGYTHKIIRDDSGK-----KVSTWEPQDQLSLYTSYKFKGALDKLTVGGGARWQGKSWQMVYNNPRSRWEKFSQEDYWLVDLMARYQITDKLSASVNVNNVFDKTYYTNIGFYTSASYGDPRNLMFSTRWDF

General information: TITO was launched using: RESULT: Template: 2IAH.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 : 4060 226655 55.83 328.49 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 55.83 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.226

(partial model without unconserved sides chains): PDB file : Tito_2IAH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IAH-query.scw PDB file : Tito_Scwrl_2IAH.pdb: