Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQEKAIIIGGGPCGLSAAIHLKQIGIDALVIE---KGNVVNS--------IYNYPTHQTFFSSSEKLEIGDVAFITENRKPVRIQALSYYREVVKRKNIRVNAFEMVRKVTKTQNNTFVIETSKETYTTPYCIIATGYYDHPNYMGVPGEDLPKVFHYFKEGH----------PYF-DKDVVVIGGKNSSVDAALELVKSGARVTVLYRGNEY--SPSIKPWIL--PEFEALVRNGTIRMEF-GACVEKITENEVVFRSGEKELITIKNDFVFAMTGYHPDHQFLEKIGVEIDKETGRPFFNEETMETNVEGVFIAGVIAAGNNANEIFIENGRFHGGHIAAEIAKRENH 4UP3 Chain:A ((8-283)) ------VIIGSGPAAHTAAIYLGRSSLKPVMYEGFMAGGVAAGGQLTTTTIIENFPGFPNGIDGNELM------------MNMRTQSEKYGTTIITETIDHVD--------FSTQPFKLFTEEGKEVLTKS-VIIATGAT--AKRMHVPGED-----KYWQNGVSASAICDGAVPIFRNKVLMVVGGGDAAMEEALHLTKYGSKVIILHRRDAFRASKTMQERVLNHPKIEVIWNSELVELEGDGDLLNGAKIHNLV--SGEYKVVPVAG--LFYAIGHSPNSKFL---GGQV-KTADDGYILTEGPKTSVDGVFACG---------------------------------

General information: TITO was launched using: RESULT: Template: 4UP3.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 : 1309 11164 8.53 44.84 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 8.53 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_4UP3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UP3-query.scw PDB file : Tito_Scwrl_4UP3.pdb: