Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKRKIGLAMSLVIAAGTILGACGNSEKSSGSGEGKNKFSVAMVTDVGGVDDKSFNQSAWEGIQAFGKENGLKKGKNGYDYLQSKSDADYTTNLNKLARENFDLIYGVGYLMEDSISEIADQRKNTNFAIIDAVVDKDNVASITFKEQEGSFLVGVAAALSSKSGKIGFVGGMESELIKKFEVGFRAGVQAVNPKAVVEVKYAGGFDKADVGKA--TAESMYKSGVDVIYHSAGAT---------GTGVFTEAKNLKKEDPKRDVWVIGVDKDQYAEGQVEGTDDNVTLTSMVKKVDTVVEDVTKKASDGKFPGGETLTYGLDQDGVGISPSKQNLSDDVIKAVDKWKKKIIDGLEIPATEKELKTFKAE 3S99 Chain:A ((73-317)) ---------------------------------------------------------------------------------------ADAERSIKRIARAGNKLIFTTSFGYMDPTVKVAKKFPDVKFEHATGYKTADNMSAYNARFYEGRYVQGVIAAKMSKKGIAGYIGSVPVPEVVQGINSFMLGAQSVNPDFRVKVIWVNSW--FDPGKEADAAKALIDQGVDIITQHTDSTAAIQVAHDRGIKAFGQASDMIKFAP------------------------DTQLTAVVDEWGPYYIDRAKAVLDGTW-KSQNIWWGMKEGLVKMAPFT-NMPDDVKKLAEETEARIKSGELNPFT----------

General information: TITO was launched using: RESULT: Template: 3S99.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 : 1239 4854 3.92 20.74 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 3.92 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_3S99.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S99-query.scw PDB file : Tito_Scwrl_3S99.pdb: