Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKFVAFMEKHFIPVASKIGAQRHLVAIRDSFMVSMPLMILGALAVMINNLPIPGFQELMNSIFGGESWKGFGAAAWNGTFAILSVLIAFLLAYHLANGYRKDGVSAGVISLGSFFALGGAL----------------------------------GMS----SNGLFIAIIVGIISTEIFVRLSGNEKLIIKMPDGVPPAVAKAFASLLPAMITISAFALVAAIFAAFGVDDIVGSFYTVVQEPFMGL--ANSYPSALLLAFITPFLWFFGLHGANMVDPLMQTINAPAIEANVNAI--------AAGHSAPFIVNKP---------------------------FF---DSFVNLGGTGATLGLLLAIYLVGRK--NKPYMVVTNLSIAPGV-FNINEPTMFGLPIVLNPIMFIPFILTPMVLVSVAYFATSTGLVPAATVMPPWVTPPII-G--GVLA---TKSI-AGGVLAAVNLVLSILIYLPFVKVATIQERRKEALDA 5IWS Chain:A ((6-441)) -----------------------FWQKFGKALLVVVAVMPAAGLMISIGKLIGMSAGDINA---VH-TIARVMEDIGWAIITNLHILFAVAIGGSWAKDRA-G---GAFAALLAFVLTNRITGAIFGVNAEMLADSKAKVSSVLAGDLIVKDYFTSVLGAPALNMGVFVGIITGFLGATLYNKYYN-Y---NKLPQALAFFNGKRFVPFVVIVWSTVTAIVLSLLW-----PFIQSGLNE-FGRWIAASKDSAPIVAPFVYGTLERLLLPFGLHHMLT-IPM----NYTELGGTYTMLTGSKVGQVVAGQDP--LWLAWITDLNNLLANGDTKAYNDLLNNVVPARFKAGQVIGSTAALMGIAF----AMFRNVDKEKRAKYKPMFLSAALAVFLTGVTEPIEFMFMFI-APVLY---VVYAITTGLAFALADLINLRVHA-----FGFIELITRTPMMVNAGLTRDLINFVIVSLVFFGLNFTLFNFLIKKFNLPT--------

General information: TITO was launched using: RESULT: Template: 5IWS.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 : 1399 -179676 -128.43 -516.31 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -128.43 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.157

(partial model without unconserved sides chains): PDB file : Tito_5IWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IWS-query.scw PDB file : Tito_Scwrl_5IWS.pdb: