Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDELIMESLISRIKNNFPEINIKKFYAIESGWMNYIIVINDAIVFRFPKTRKMVKKFQKEIRLLSILHNP-PVKVPEYVFISK--DEPVYGGYYKINGVPLNNSKSLGKGILSD---------FIRFLNYLKSYNGYKFHSNDIDIYNYKT-----WKYYENSLIQMFSESLADHIK---ESYFNNIVNLMESAFSDLEPDDFSLIHGDLSNGNVI--INRRHDRINGIIDWSDSCYGDMALDIAAIVDNYPIAALDPLLLNYEQKFSHRAIKRVLFYRAVSPLYYAHYMARTGNNDLKNYCDQIINGRKYKIRMGAAEKMLKNK 3TDV Chain:A ((10-226)) ----------TMIMTQFPDISIQSVESLGEGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGED---GMAVFPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPV------YTRYTP---RLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISD--------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TDV.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 : 596 -26603 -44.64 -136.43 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -44.64 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.231

(partial model without unconserved sides chains): PDB file : Tito_3TDV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdv-query.scw PDB file : Tito_Scwrl_3TDV.pdb: