Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLSDFSFELPDELIARYPLETRSASRLLHLDAKGQ--YHDH-MFTDIIDLFEEGDLLVLNDTKVMKARLKGKRTTGGAIEILVERMPNHTTAYCHIKASNSPKAGAELFVGADN-------IPVIVRG-RHENLFVVEFSQPILPVLEQYGQLPIPPYFNREAEEIDTERYQTVFHNPEKIASVAAPTASLHFDEELLAKLDQKGVKKTFVTLHVGAGTFMPVRTDDITNHVMHSEWCDVPQETIDLILATKARGNKVIAVGTTATRALESAAQAHGGKIAAWTGDTQIFIYPGYEFCIVDRLITNFHLPESTLLMLVSALSNRENILAAYEHAVKDRYHFFSYGDAMLIDKLEVLKLKLG 1WDI Chain:A ((4-345)) --LEAYDYHLPPEQIAQEGVEPRDMARLMVVYREGPFRV-AHKRVRDLPEFLRPGDVLVFNESKVIPARLLARKPTGGKVEILLVRER------ALLGPARKAPPGTRLLLLSPKDLAPVPGLQAEVVAVEED----------LVAHLEEVGEVP------------------------------AAPTAGLHFTPELLERLREMGVELRFLTLHVGPGTFRP----------MHAEPYAIPEEVAEAVNRAKAEGRRVVAVGTTVVRALESAYREGVG-VVAGEGETRLFIRPPYTFKVVDALFTNFHLPRSTLLMLVAAFLGRERTLEAYRLAVAEGYRFYSLGDAMLIL----------

General information: TITO was launched using: RESULT: Template: 1WDI.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 : 1346 -24881 -18.49 -88.54 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -18.49 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_1WDI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WDI-query.scw PDB file : Tito_Scwrl_1WDI.pdb: