Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFIDNQNINDPRINLAIEEY--CVKHLDPEQQYLLFYVNQPSIIIGKNQNTIEEINTKYVEENGIIVVRRLSGGGAVYHDLGNLNFSFITKDDGDSFHN-FKKFTEPVIQALHQLGVEAELSG----------RNDIVVDGRKISGNAQFATKGRIFSHGTLMFDSAIDHVVSALKVKKDKIESKGIKSIRSRVANISEFLDDKMTTEEFRSHLLRHIFNTNDVGNVPEYKLTEKDWETIHQISKERYQNWDWNYGRSPKFNLNHSKRYPVGSIDLHLEVKKGKIEDCKIFGDFFGVGDVSEIENLLVGKQYERSVIADVLEGVNLKHYFGNITKEDFLDLIY 2C8M Chain:A ((4-256)) RLLLLET-PGNTRMSLAYDEAIYRSFQYGD-KPILRFYRHDRSVIIGYFQVAEEEVDLDYMKKNGIMLARRYTGGGAVYHDLGDLNFSVVRSSDDMDITSMFRTMNEAVVNSLRILGLDARPGELNDVSIPVNKKTDIMAGEKKIMGAAGAMRKGAKLWHAAMLVHTDLDMLSAVLK---------------ERVANVTDFVD--VSIDEVRNALIRGFSETLHIDFR-EDTITEKEESLARELFDKKYSTEEWNMGL--------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2C8M.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 : 1212 -131796 -108.74 -585.76 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -108.74 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_2C8M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2C8M-query.scw PDB file : Tito_Scwrl_2C8M.pdb: