Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEISDIIYGQHHIDGVLEELIKSAPVQRLKGIYQGGASFLVNRKWNVTRYEHSIGV----MLLIKKLGGTIEE-----------QIAGLLHDVSHTAFSHVVDVVF----ENQAEDYHEN----IFQQVIVHSEIPDILQKHGYHTEELLS----------DDSRWTLLEQPAPE-------------LCADRTDYTLRDMYRYGHINLHEAQTFLDHLIVRNGRMFPDSIEAAEWFVSVYYKEVIDFFLNPVNVYGYEYLARALKAALRHDVISAEDLLKTDQEVLNILRASKNEEVLSLLTSIHPGIQVIEDDIQYDFHQKKKMRLIDPSIFLDDKWIKSSGVSEKVRKMGEAAYQKAKKGVYIKILKQ 4TNP Chain:A ((6-223)) --INDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHNRFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCRNLGHGPFSHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEEDICFIKEQIVGPL---LWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDCHHLGIQNNFDYKRFI-----------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4TNP.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 : 589 -67253 -114.18 -407.59 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -114.18 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_4TNP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TNP-query.scw PDB file : Tito_Scwrl_4TNP.pdb: