Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHRINDFIITDETEIASLLAPFDSTL-----TILDFSLMKDSMSNSGYIVTTNS----------GKYFLKIYSKTT----D-KIETAALSYLKN-KINVPALLFYDGSKQRFPFAYAIMEFLDGVTFINHVRSNLKYPPEMAYEIGRICAMIHERSYAHDAL--LD----GKLNLLQELPRTRDKILHLL-NGKPSEYLRPETIDSLCGFIKENPDLFDSIEAKSVLCHGDLGYANIMISDGKVSFIDFEFTYSGSIYHDIGHFFRRKDDDV------------EALINRHIYDAFAQGYNSVSASPLPSNWLTLAHLCDISAMLCLLTYDNVPTEWVEDIENDILCAIDEDSRL 3C5I Chain:D ((12-291)) ---------TDPLYIKKICLEKVPEWNHFTEDNLRVKQIL--LTNQLFEVGLKEETANNYNSIRTRVLFRIYGKHVDELYNTISEFEVYKTMSKYKI-APQLLNTFN-------GGRIEEWLYGDPLRIDDL----KNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIEKYNC-DIHKYIK-ESDKFIKFMKVYSKS-DNLANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLS-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C5I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 881 -39111 -44.39 -165.72 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.60 3D Compatibility (PKB) : -44.39 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.309

(partial model without unconserved sides chains): PDB file : Tito_3C5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c5i-query.scw PDB file : Tito_Scwrl_3C5I.pdb: