Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MKKKQVSHAIIISVMLSFVIAVFHTIHASELTPLAQMAEGMERQDVSIDKWTLHAKQ-NLSLTEKEFYQKVQRLKQEYRQYDWVIARED-KMIKAIGTYTDKKNRTSFRLQLVTTLKKHNPTSYLLYEQMS-----LETPDSWNDTYEQFERETLGIFQEKVVIFTCLNGHLDDNMNIVLQKKAN-----------QLLNEFQARSVEHVVEPNFVSISA--FTDEWEE-----------YIMTSKHKMNLQIALRSAGMGGKHTVTVGTPIVTTEY------------------------------------------------------------ 4QVG Chain:A ((4-344)) ELSALVPVLFGHAAFQQLNAGCQLGLFELLHERGPLSAEEVADALRLPRRSADILLLGTTALGLSTVTDGGYRNGAPIGAAFRDGLWPVLRDIVQYQDKIAYQPAADYVESLRTGQNAGIRHFPGTTRDLYSRLAAVPGLEELFYRGMHAWSQLSNPVLLAQPDFTRVHRVLDVGGGDAVNAVALARAHPSLRVTVLDRPGALEVARKTIAEAGLEERVRTHAADIFTDSYPAGHDCVLFAHQLVIWSPEQNLTLLRKAYDAVEPGGRVLVFNAFTDDDRTGPLYAALDNVYFTTLPFRHSTIHRWADCESWLREAGFTDVGRTAPPGWTPHGVVSGSRPR

General information: TITO was launched using: RESULT: Template: 4QVG.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 : 947 21066 22.24 85.63 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 22.24 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.157

(partial model without unconserved sides chains): PDB file : Tito_4QVG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QVG-query.scw PDB file : Tito_Scwrl_4QVG.pdb: