Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKTMGIHHITAIVGHPQENTDFYAGVLGLRLVKQTVNFDDPGT-YHLYFGNEGGKPGTIITFFPWAGARQ------GVIGDGQVGVTSYVVPKGAMAFWEKRLEKFNVPYTK-IE--R---FGEQYVEFDDPHGLHLEIVEREEGEANTWTFG-----------EVTPDVAIKGFGGATLLSEQ--PDKTADLLENIMGLERVGKEG------D-----FVRYRSAGDIGNVIDLKLTPIG---R------GQMGAGTVHHIAWRANDDEDQLDWQRYIASHGYGVTPV-RDRN----------------------YFNAIYFREHGEILFEIATDPPGFAHDETQETMGEKLMLPVQYEPHRTQIEQGLLPFEVRELD 3ISQ Chain:A ((6-334)) -RGRFLHFHSVTFWVGNAKQAASFYCSKMGFEPLAYRGLETGSREVVSHVIKQ--G--KIVFVLSSALNPWNKEMGDHLVKHGDGVKDIAFEVE--DCDYIVQKARERGAKIMREPWVEQDKFGKVKFAVLQTYGDTTHTLVEKMNYIG-QFLPGYEAPAFMDPLLPKLPKCSLEMIDHIVGNQPDQEMVSASEWYLKNLQFHRFWSVDDTQVHTEYSSLRSIVVANYE-ESIKMPINEPAPGKKKSQIQEYVDYNGGAGVQHIALKTED---IITAIRHLRERGLEFLSVPSTYYKQLREKLKTAKIKVKENIDALEELKILVDYDEKGYLLQIFTKPVQ----------------------------------------

General information: TITO was launched using: RESULT: Template: 3ISQ.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 : 1303 -132442 -101.64 -509.39 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -101.64 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_3ISQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ISQ-query.scw PDB file : Tito_Scwrl_3ISQ.pdb: