Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFQFQEVFPAERTAAINVAIETAFGGA-----KLEDVNLLTGGLSTAPVYKLTVDN----------RPYVMKLDVLHV--AATV-DLSEKVALAAQAGIAPALLYRNVESGITISDFVENKPIRSIF-TGEVLADRLAGAVKKIHAVPYTIPGDD-------LKATIDHILTGFRQTNILS--GEIPDECLRRYAEVREIY------PWQDTDKVFSHNDLNPSNILCDGQDIWVIDWNTAFVNDRYVDLAGVANFFIH------------------MPEQEAVFLKAYFGDEL-----D----EYKKARFYVMRQISRIIYALMMLHLAAKAKPADYKHDQDVAGVLLRDVGPAIGAGKLSLATYEGQFMYGKALMHEAVQQMRTARFEASLAMLKG 3C5I Chain:D ((11-332)) ----------LTDPLYIKKICLEKVPEWNHFTEDNLRVKQIL--LTN-QLFEVGLKEETANNYNSIRTRVLFRIYGKHVDELYNTISEFEVYKTMSKYKIAPQLLNTF--NGGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNYLDKVVPTPKLIDEILEAVEVQALGAHLLWGFWSIIRGYQ------------------------------------------------------------------

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 : 979 -30153 -30.80 -117.32 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain D : 0.61 3D Compatibility (PKB) : -30.80 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.314

(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: