Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKARISIRQLFVMIIIFELGSS-LLITPG--SMAGRDAWIAVLLGCAIGLFLFYLYQGIYQCYPNSSPKEYMDDMLGTKLSWLFSFLYIL-YFAYIAARVLRDFGEMLLTFAYHDTPII-IVNALLMVVSIYAVRKGIEVLARAAELLFGAMYLLGAIGLVLIIVSGTIDPHNLKPVLANGISPVLHSVFTQTMYVPFGEVVLFVMIFPNLNDRKDVKKMGMIAMAISGLIVALTVAINISVLDVDLTLRSQFPLLSTIQTIKVEEFLDRLDVFFMLALIIGGFFKVSLYLYATVVGTSTLFKEKNPSQLAYPMGLGILILSITIATNFSEHLNEGLNVVPLYIHLPFQLLFPLFLFIVAVWKKKRREKSKGEEAKK 3DH4 Chain:A ((53-172)) --GKSLPWWAVGASLIAANISAEQFIGMSGSGYSIGLAIASYEWMSAITLIIVGKYFLPIFIEKGIYTIPEFVEKRFNKKLKTILAVFWISLYIFVNLTSVLYLGGLALETIL-G-IPLMYSILGLALFALVYSI------VVWTDVIQVFFLVLGGF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DH4.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 : 139 -16101 -115.83 -146.37 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -115.83 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.001

(partial model without unconserved sides chains): PDB file : Tito_3DH4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DH4-query.scw PDB file : Tito_Scwrl_3DH4.pdb: