Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MSKRIIQSVLSVSVLASMMSMAFAAQ----------NEQEQAEQTLEKPAEPVKLETIFVTAEEQVKQS----------------------------LGVSVITKEDLAKLPVRNDISDYVRRMPGVNLTGNSATGQRGNNRQIDIRGMGPENTLILVDGKPINSRNSVRYGWKGERDTRGDSNWVPAEAIESIEVLRGPAAARYGSGAAGGVVNIITKKVTNETHGSVEFYTSQPEDSKEGSSNRVGFNVSGPLIKD-VLSYRLYGNYNKTE--ADDVDINKSIGSTAAGREGVKNKDISGRLAWQATDQQTVLLDVSSSKQGNIYSGDSQLNANAEADAILSQLIGKETNTMYRDSYALTHEGDWSWGKSKLVAQYDKTHNKRLPEGLAGSVEGKINSLDDKATSRLETLRFNGEANIPFEYY-LPQVLTVGTEWVEDRFKDNVSTTQGKDSSGSGYGDQL----------AKGDRSKMESRIASAYIEDNLKVTDSTDVVLGLRFDDHSKSGSNWSPSLNITQKLNDNFTLKGGVAKAYKAPNMYQNAEGYLLSTNGNGCPANIESRCLLQGNGDLKPETSVNKELGIQFQ--RDIVNASLTWFRNDYKDKIVAGTHVVGTADGSSTNANTGAVTNTKWNILRWENTPKALIQGFEGSL-GLDFGDIRWTNNFTYMMDSKDKQTGNPLSLVPIYTINSIFDYDITDQLD-VNFVFTQYGRQKSRQFAENRLESGIGSGGANSALKPSTVKSYSTAGINVGYKFSDQISTRVGVSNLFDKQILRDSNSISQTYNEPGRAYYASLKYSF 2IAH Chain:A ((1-772)) QEVEFDIPPQALGSALQEFGRQADIQVLYRPEEVRNKRSSAIKGKLEPNQAITELLRGTGASVDFQGNAITISVATITEDSGSYTPGTIATATRLVLTPRETPQSITVVTRQNMDDFGLN-NIDDVMRHTPGITVSAYD-----TDRNNYYARGFSINN--FQYDGIPSTARNVGYSAGNTLSD---------MAIYDRVEVLKGATGLLTGAGSLGATINLIRKKPTHEFKGHVELGAGS------WDNYRSELDVSGPLTESGNVRGRAVAAYQDKHSFMDHYERKTSVYYGILEFDLNPDTMLTVGADYQDNDPKGSGWSGSFPL---FDSQGNRNDVSRSFNNGAKWSSWEQYTRTVFANLEHNFANGWVGKVQLDHKINGYHAPLGAIMGDWPAPDNSAKIVAQKYTGETKSNSLDIYLTGPFQFLGREHELVVGTSASFSHWEGKSYWNLRNYDNTTDDFINWDGDIGKPDWGTPSQYIDDKTRQLGSYMTARFNVTDDLNLFLGGRVVDYRVTGLNPT-----IRESGRFIPYVGAVYDLNDTYSVYASYTDIFMPQDSWYRDSS---------NKLLEPDEGQNYEIGIKGEYLDGRLNTSLAYFEIHEENRAEEDALYNSKPTNPAITY--------------AYKGIKAKTKGYEAEISGELAPGWQVQAGYTHK-IIRDDSGKKVSTWEPQDQLSLYTSYKFKGALDKLTVGGGARWQGKSWQMVYNN---------PRSRWEKFSQEDYWLVDLMARYQITDKLSASVNVNNVFDKTYYTNIGFYTSASYGDPRNLMFSTRWDF

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 271675 66.91 393.73 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 66.91 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.175

(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: