Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEGIKTIGVVGVGVIGASWTALFLYKGFKVKVYGPYPIDEELFKKRIQANLSDLLA---LDQQTDSSHHLQDIFLNLELYNNLKDAVIDADFIQENAPERLDLKQNLYQEITSYCPEKTLIASSSSGLKVSDFQKDATHPERIFLGHPFNPPHLLPLVEIVGGKLTDPQILKKASEFYQSLGKHPIVLNKEVKGHVANRLQAALWREAFSLVKEGVCSAEDVDIAITSGPGLRWALFGPYINMELANQKGFKEAIHHLGPPMTEW----WNDM--QN--FQHSEETTELLEEQTKELLTHYKDIDLSQKRDKGLVDILKLKQQLELD 3HDH Chain:A ((15-288)) ---VKHVTVIGGGLMGAGIAQVAAATGHTVVLVDQTEDILAKSKKGIEESLRKVAKKKFAENPKAGDEFVEKTLSSISTSTDAASVVHSTDLVVEAIVENLKVKSELFKRLDKFAAEHTIFASNTSSLQITSLANATTRQDRFAGLHFFNPVPLMKLVEVVKTPMTSQKTLESLVDFSKTLGKHPVSC-KDTPGFIVNRLLVPYLIEAVRLYERGDASKEDIDTAMKLGAGYPM---GPF------------ELLDYVGLDTTKFIIDGWHEMDSQNPLFQPSPAMNKLVAEN----------------------------------

General information: TITO was launched using: RESULT: Template: 3HDH.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 : 1269 -22399 -17.65 -85.17 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -17.65 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_3HDH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HDH-query.scw PDB file : Tito_Scwrl_3HDH.pdb: