Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFIDNQNINDPRINLAIEEYCVKHLDPEQQYLLFYVNQPSIIIGKNQNTIEEINTKYVEENGIIVVRRLSGGGAVYHDLGNLNFSFITKDDGDSFHNFKKFTEPVIQALHQLGVEAELSGRNDIVVDG----RKISGNAQFATKGRIFSHGTLMFDSAIDHVVSALKVKKDKIESKGIKSIRSRVANISEFLDD-------KMTTEEFRSH----LLRHIFNTNDVGNVPEYKLTEKDWETIHQISKERYQNWDWNYGRSPKFNLNHSKRYPVGSIDLHLEVKKGKIEDCKIFGDFFGVGDVSEIENLLVGKQYERSVIADVLEGVNLKHYFGNITKEDFLDLIY 3A7A Chain:A ((12-314)) ----------DPWFNLAVEECIFRQMPATQRVLFLWRNADTVVIGRAQNPWKECNTRRMEEDNVRLARRSSGGGAVFHDLGNTCFTFMA---GKPEYDKTISTSIVLNALNALGVSAEASGRNDLVVKTVEGDRKVSGSAYRETKDRGFHHGTLLLNADLSRLANYLNPDKKKLAAKGITSVRSRVTNLTELLPGITHEQVCEAITEAFFAHYGERVEAEIISPNKTPDLPNFA------ETF-----ARQSSWEWNFGQAPAFSHLLDERFTWGGVELHFDVEKGHITRAQVFTDSLNPAPLEALAGRLQGCLYRADMLQQECEAL-------------------

General information: TITO was launched using: RESULT: Template: 3A7A.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 : 1421 -111483 -78.45 -387.09 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -78.45 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_3A7A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A7A-query.scw PDB file : Tito_Scwrl_3A7A.pdb: