Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDAQGSLVHELK-SLPCWPA---PVQAIRPL-TGLSGGSLLIELCD---------GRRYVARSQNAQLQMQAVSRERERQVLCAIGEQVARSDFLPQVLFYNARWLVVSWLEGSPWPHTLADDACAQRHLVTLMRRFHPVDSE-L-Q--LD----IPSRLQFYRQQLSAEK-------QPE----ALFSLCARFASLR--SPCWWFPVLAHHDIHPGNVVSDGATLALIDWEYAARSPLACELILLFEANGF------------------NRAQRQQFCRYYAEAIYSTETVYAADSKCVGSSAAALEDWLHRLQQDIASWQPWCEMLMAMWSAIRFEQT---DDVQYAVWRDNYLKAAEQSLGKRE 3C5I Chain:D ((14-354)) ----PLYIKKICLEKVPEWNHFTEDNLRVKQIL--LTNQLFEVGLKEETANNYNSIRTRVLFRIYGKHVD-ELYNTISEFEVYKTM----SKYKIAPQLLNTFNGGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNYLDK-------------VVPTPKL-IDEILEAVEVQALGAHLLWGFWSIIRGYQTKSYNEFDFFLYAEQRLKMYDD------

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 : 1097 -6140 -5.60 -21.85 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain D : 0.66 3D Compatibility (PKB) : -5.60 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.415

(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: