Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFIDNQNINDPRINLAIEEY--CVKHLDPEQQYLLFYVNQPSIIIGKNQNTIEEINTKYVEENGIIVVRRLSGGGAVYHDLGNLNFSFITKDDGDSFHNFKKFTEPVIQALHQLGVEAELSGRNDIVV----DGRKISGNAQFATKGRIFSHGTLMFDSAIDHVVSALKVKKDKIESKGIKSIRSRVANISEFLDDKMTTEEFRSHLLRHIFNTNDVGNVPEYKLTE---KDWETIHQISKERYQNWDWNYGRSPKFNLNHSKRYPVGSIDLHLEVKKGKIEDCKIFGDFFGVGDVSEIENLLVGKQYERSVIADVLEGVNLKHYFGNITKEDFLDLIY 3A7R Chain:A ((3-333)) LRLLISD-SYDPWFNLAVEECIFRQMP-AT-QRVLFLWRNADTVVIGRAQNPWKECNTRRMEEDNVRLARRSSGGGAVFHDLGNTCFTFMAGKPE--YD-KTISTSIVLNALNALGVSAEASGRNDLVVKTVEGDRKVSGSAYRETKDRGFHHGTLLLNADLSRLANYLNPDKKKLAAKGITSVRSRVTNLTELLP-GITHEQVCEAITEAFFAHYGERVE-AEIISPNKTPDLPNFA-ETFARQSSWEWNFGQAPAFSHLLDERFTWGGVELHFDVEKGHITRAQVFTDSLNPAPLEALAGRLQGCLYRADMLQQECEALLVDFPEQEKELRELSAWMA

General information: TITO was launched using: RESULT: Template: 3A7R.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 : 1716 -148893 -86.77 -462.40 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -86.77 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_3A7R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A7R-query.scw PDB file : Tito_Scwrl_3A7R.pdb: