Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MSLLRLD-----RLHYCILMSMGCISSPLVWAEDLNSDVAKL------------PTLHVE------------------ATRTDTGYLQTPASVFRIEAPQVDSSSQVNLTEVVKGIPSLQIRNRENYAQDLQLSMRGFGARSTFGVRGIRLYVDGIPATMPDGQGQ--TSNIDLSSLDHVEVLTGPFSSLYGNSS-GGTILTSTKEGQGKDSIELSYSGGSHDKSRAGLVLQGGAKGANEPSYIISSSYFDTDGYREHSGAEKVLNNAKLSWNLDDGSKINWVTNYVKINADD---PGGLTRADWQNNPKQVVQNVL---DYNARKEIEQTQTGLTWSKPINDQHELYAMTYMGQRQVTQYQSIPDTVQKNPNTPYQAGGVIDFKRNYYGADFRWTGKELLPNTTLSIGVALDAMKEDRQGYQNFNDTGDKGVKGALR---------------RDEDNTLWNIDPYVQASWQFLPTWRLDTGVRYSNVHYKSKDYYIVGLNGDNSGKTSYEEVLPSVALSWQITPEVLAYASYAKGFETPTFTEMAYPAQGGASTLDLKPSTSDTYETGLKSQ--NQLGDFTLAVFQTKTKNDIVSAESF------GGRSTFRNADKTLREGVEFAWNKKLWRDLIAIASYTYLDATFDSTVPAAGKISEIPEGNAIPGIAKNQAYVSLAWQPSHGLYGGVDVQYMDKVYVNDTNSDAAPSYSVTSANVGYAWVMGDWKVN----SFARVDNLFDRNYAGSVIVNDSTQPVGRYFEPADGRNWSAGLRVIKQF 2IAH Chain:A ((1-772)) QEVEFDIPPQALGSALQEFGRQADIQVLYRPEEVRNKRSSAIKGKLEPNQAITELLRGTGASVDFQGNAITISVATITEDSGSYTPGTIATATRLVLTPRETPQSITVVTRQNMDDFGLNNIDDVMRHTPGITVSAYDTDRNNYYA--RGFSINN--------FQYDGIPSTARNVGYSAGNTLSDMAIYDRVEVLKGATGLLTGAGSLGATINLIRKKPTHEFKGHVELGAGSWDNYRSELDVSGPLTESGNVRGRAVAAYQDKHSFMDHYERKTSVYYGILEFDLNPDTMLTVGADYQDNDPKGSGWSGSFPLFDSQGNRNDVSRSFNNGAKWSSWEQYTRTVFANLEHNFANGWVGKVQLDHKINGYHAPLGAIMGDWPAPDNSAKIVAQKYTGETKSNSLDIYLTGPFQFLGREHELVVGTSASFSHWEGKSYWNLRNYDNTTDDFINWDGDIGKPDWGTPSQYIDDKTRQLGSYMTARFNVTDDLNLFLGGRVVDYRVT----------GLNPTIRESGRFIPYVGAVYDLNDTYSVYASYTDIFMPQD--SWYRDSSNKL----LEPDEGQNYEIGIKGEYLDGRLNTSLAYFEIHEENRAEEDALYNSKPTNPAITYAYKGIKAKTKGYEAEISGELAPGWQVQAGYTHKIIRDDSGKK---------VSTWEPQDQLSLYTSYKFKGALDKLTVGGGARWQGKSWQMVYNNPRSRWEKFSQEDYWLVDLMARYQITDKLSASVNVNNVFDKTYYTNIGFYTSASY---------GDPRNLMFSTRWDF

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 : 3944 249152 63.17 372.98 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 63.17 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.146

(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: