Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLEKWIEEKFNT------TKYTLEKTDKGISNHNYILTIND----------TKYMIRVPKKNHESLGLQHEHEKKILTL--VSDLDVPTVLFDEKEGIKVTHYIEDVKTFNEC-KDKDKFARCANLMKSLHTKKAPL-FI--F----NPFGKIEFYKSQIKECI------VS-------FPNEENFLEALK--KE-YKPNTLCHNDFVQGNILYSDTKDYLIDYEYAAKNDYRFDIASFFSENNI------------------HYIDQRDQFYQTYFDGE-----IDPMI----DVQVQAFERMEDILWGYWANMLYEQR---GEQIYFDIAKDKEKHYRG 3C5I Chain:D ((16-353)) -YIKKICLEKVPEWNHFTEDNLRVKQIL--LTNQLFEVGLKEETANNYNSIRTRVLFRIYGKHVDEL-YNTISEFEVYKTMSKYKIAPQLLNTF--NGGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENR-KLFITAYLSNYLDKVVPTPKLIDEILEAVEVQALGAHLLWGFWSIIRGYQTKSYNEFDFFLYAEQRLKMYD-

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 : 991 -1748 -1.76 -6.67 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.65 3D Compatibility (PKB) : -1.76 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.341

(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: