Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTIKTSNLGFPRIGLNREWKKALEAYWKGSTDKDTFLKQIDELFLSAVKTQIDQQIDVVPVSDFTQYDHVLDTAVSFNWIPKRFRHLTDA-TDTYFAIARGIK---------DAVSSEMTKWFNTNYHYIVPEYDESIEFRLTRN---KQLEDYRRIKQEYGVETKPVIVGPYTFVTLAKGYEPS---EAKAIQKRLVPLYVQLLKELEEEGVKWVQIDEPALVTASSEDVRGA-KELFESITSELSSLNVLLQTYFDSVDAYEELI-SYPVQGIGLDFVHDKGRNLEQLKTHG--FPTDKVLAAGVIDGRNIWKADLEERLDAVLDILSIAKVDELWIQPSSSLLHVPVAKHPDEHLEKDLLNGLSYAKEKLAELTALKEGLVSGKAAISEEIQQAKADIQALKQFATGANSEQKKELEQLTDKDFKRPIPFEERLALQNESLGLPLLPTTTIGSFPQSAEVRSARQKWRKAEWSDEQYQNFINAETKRWIDIQEELELDVLVHGEFERTDMVEYFGEKLAGFAFTKYAWVQSYGSRCVRPPVIYGDVEFIEPMTVKDTVYAQSLTSKHVKGMLTGPVTILNWSFPRNDISRKEIAFQIGLALRKEVKALEDAGIQIIQVDEPALREGLPLKT-RDWDEYLTWAAEAFRLTTSSVKNETQIHTHMCYSNFEDIVDTINDLDADVITIEHSRSHG-GFLDYLKNHPYLKGLGLGVYDIHSPRVPSTEEMYNIIVDALAVCPTDRFWVNPDCGLKTRQQEETVAALKNMVEAAKQARAQQTQLV 4QQU Chain:A ((23-788)) --MVQSSVLGFPRIGGQRELKKITEAYWSGKATVEELLAKGKELREHNWKLQQKAGVDIIPSNDFSYYDQVLDLSLLFNAIPERYTKFDLAPIDVLFAMGRGLQAAATTQAAVDVTALEMVKWFDSNYHYVRPTFSHSTEFKLNTAAGIKPVDEFNEAKA-LGVQTRPVILGPVSYLYLGKADKDSLDLEPISLLPKILPVYKELLQKLKEAGAEQVQIDEPVLVLDLPEAVQSKFKEAYDALVGA-DVPELILTTYFGDVRPNLKAIENLPVAGFHFDFV----RVPEQLDEVASILKDGQTLSAGVVDGRNIWKTDFAKASAVVQKAIEKVGKDKVVVATSSSLLHTPVDLESETKLDAVIKDWFSFATQKLDEVVVIAKN-VSGED-VSKQLEANAASIKARSESSITNDPKVQERLTTINEALATRKAAFPERLTEQKAKYNLPLFPTTTIGSFPQTKDIRINRNKFAKGQITAEEYEAFINKEIETVVRFQEEIGLDVLVHGEPERNDMVQYFGEQLNGFAFTTNGWVQSYGSRYVRPPIIVGDVSRPKAMTVKESVYAQSITSKPMKGMLTGPVTILRWSFPRDDVSGKIQALQLGLALRDEVNDLEGAGITVIQVDEPAIREGLPLRAGKERSDYLNWAAQSFRVATSGVENSTQIHSHFCYSDLDP--NHIKALDADVVSIEFSKKDDPNYIQEFSEYP--NHIGLGLFDIHSPRIPSKQEFVSRIEEILKVYPASKFWVNPDCGLKTRGWPEVKESLTNMVEAAKEFRAK-----

General information: TITO was launched using: RESULT: Template: 4QQU.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 : 4472 -251012 -56.13 -337.84 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -56.13 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_4QQU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QQU-query.scw PDB file : Tito_Scwrl_4QQU.pdb: