Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRAISHIDTFQGLILALQNYWAEQGCVVLQPYDMEMGAGTFHTATFLRALGPETWNAAYVQPSRRPKDGRYGENPNRLQHYYQFQVVL--KPNP---DNIQQLYLDSLKAIGIDTLTHDIRFVEDNWESPTLGAWGLGWEVWLNGMEVTQFTYFQQ-----VGGVECYPVTGEITYGLERLAMYLQGVDSVYDLVWTKGQFGTVTYGDVFHQNEVEQSTYNFEYAPVDKLFELFDFYESEANRLMEAKLPLPAYEQVVKASHTFNLLDARGAISVTERQRYILRVRTLARAIAQSYVQARAELGFPMAEPHLRDEVLAQLKAQAESEAAKAEKN 3DSQ Chain:B ((146-274)) ---------------------------------------------------WDKPIRIFEIGTCYRKESQ----GAQHLNEFTMLNLTELGTPLEERHQRLEDMARWVLEAAGIR----EFELVTESSVV------GDTVDVMKGDLELA-SGAMGPHFLDEKWEIF-DPWVG-LGFGLERLLMIREGTQHVQSMA-------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DSQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 504 -18599 -36.90 -157.61 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -36.90 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_3DSQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DSQ-query.scw PDB file : Tito_Scwrl_3DSQ.pdb: