Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLRLDRLHYCILMSMGCISSPLVWAEDLNSDVAKLPTLHVEATRTDTGYLQTPASVFRIEAPQVDSSSQVNLTEVVKGIPSLQIRNRENYAQDLQLSMRGFGARSTFGVRGIRLYVDGIPATMP-DG-QGQTSNIDLSSLDHVEVLTGPFSSLYGN-SSGGTILTSTKEGQGKDSIELSYSGGSHDKSRAGLVLQGGAKGANEPSYIISSSYFDTDGYREHSGAEKVLNNAKLSWNLDDGSKINWVTNYVKINADDPGG---LTRADWQNNPKQ---VVQNVLDYNARKEIEQTQTGLTWSKPINDQHELYAMTYMGQRQVTQYQSIPDTVQKNP-NTPYQAGGVIDFKRNYYGADFRWTGKEL-LPN-TTLSIGVALDAMKEDRQGYQNFN--D---------TGDKGVK--GALRRDEDNTLWNIDPYVQASWQFLPTWRLDTGVRYSNVHYKSKDYYIVGLNGDNSGKTSYEEVLPSVALSWQITPEVLAYASYAKGFETPTFTEMAYPAQGGASTLDLKPSTSDTYETGLKSQ-N-QLGDFTLAVFQTKTKNDIVSAESFG------GRSTFRNADKTLREGVEFAWNKKLWRDLIAIASYTYLDATFDSTVPAAGKISEIPEGNAIPGIAKNQAYVSLAWQPS---HGLYGGVDVQYMDKVYVNDT-------NSDAAPSYSVTSANVGYAWVMGDWKVNSFARVDNLFDRNYAGSVIVNDSTQPVGRYFEPADGRNWSAGLRVIKQF 2W16 Chain:A ((101-772)) --------------------------------SGSYTPGTIATATRLVLTPRETPQSITVVTRQNMDDFGLNNIDDVMRHTPGITVSAYDT--DRNNYYARGFSI--------NNFQYDGIPSTARNVGYSAGNTLSDMAIYDRVEVLKGATGLLTGAGSLGATINLIRKKPTHEFKGHVELGAGSWDNYRSELDVSGPLTESGNVRGRAVAAYQDKHSFMDHYERKTSVYYGILEFDLNPDTMLTVGADYQDNDPKGSGWSGSFPLFDSQGNRNDVSRSFNNGAKW-SSWEQYTRTVFANLEHNFANGWVGKVQLDHKINGYHAPLGAIMGDWPAPDNSAKIVAQKYTGETKSNSLDIYLTGPFQFLGREHELVVGTSASFSHWEGKSYWNLRNYDNTTDDFINWDGDIGKPDWGTPSQYIDDKTRQLGSYMTARFNVTDDLNLFLGGRVVDYRVTGLN----------PTIRESGRFIPYVGAVYDLNDTYSVYASYTDIFMPQDSWYRD------SSNKLLEPDEGQNYEIGIKGEYLDGRLNTSLAYFEIHEENRAEEDALYNSKPTNPAITYAYKGIKAKTKGYEAEISGELAPGWQVQAGYTHKIIRDDS------------GKKVSTWEPQDQLSLYTSYKFKGALDKLTVGGGARWQGKSWQMVYNNPRSRWEKFSQEDYWLVDLMARYQIT---DKLSASVNVNNVFDKTYYTNIGFY-------TSASYGDPRNLMFSTRWDF--

General information: TITO was launched using: RESULT: Template: 2W16.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 : 3838 201995 52.63 321.14 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 52.63 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.188

(partial model without unconserved sides chains): PDB file : Tito_2W16.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W16-query.scw PDB file : Tito_Scwrl_2W16.pdb: