Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLDYLQALKRIPEARGAWILHGQEPLLEQNLLDTFRKSWQQQDIERQRYDI-------------SS--VSDWKNVFNAL-----NSLSLFSQQLAIEVHGNIKPDANGLKQLKSYIQHN-ETNLLLIVLPKQDSSSLKSAFFQVVEANGVVVALTANYPQDRQRILAAEAEKLEIQLD-NDAWQWLMQHHEHNLLAAKNSLMRVRDTFPDQKLIQIEQLYACLQDQSRYTTYDLSDALL----EGNLAQSIKIFQYLIGSGEPESLILWTLSKEMRLLMQLFEQPHNALQLGIWKTKVSLYQQALRRLNPQQFLGWSALLLQIDAAIKGMSNENAQHLMQQAIAELCGKTLFIH 1SXJ Chain:E ((35-352)) --------------DLPHLLLYGPNGTGKKTRCMALLESIFGPGVYR-----NVVSSPYHLEITPS-NDRIVIQELLKEVAQMEQ-------RYKCVIINEANSLTKDAQAALRRTMEKYSKNIRLIMVCDSM------SPIIAPIKSQCLLIRCPAPSDSEISTILSDVVTNERIQLETKDILKRIAQASNGNLRVSLLMLESMALNN----ELALKSSSPIIKPDWIIVIHKLTRKIVKERSVNSLIECRAVLYDLLAHCIPANIILKELTFSLLDVETLNTTN---------------------------KSSIIEYSSVFDERLSLGN--KAIFHLEGFIAKVMCC-----

General information: TITO was launched using: RESULT: Template: 1SXJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 993 -19303 -19.44 -74.82 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain E : 0.62 3D Compatibility (PKB) : -19.44 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_1SXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SXJ-query.scw PDB file : Tito_Scwrl_1SXJ.pdb: