Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSAYIHIPFCEHICHYCDFNKYFIQSQPVDEYLNALEQEMINTIAKTGQPDLKTIFIGGGTPTS-LSEEQLKKLMDMINRVLKPSSDLSEFAVEANPDDLSAEKLKILKEAGVNRLSFGVQTFEDDLLEKIGR---VHKQKDVFTSFERAREIGFENISLDLMFGLPGQTLKHLEHSINTAL------SLDAEHYSVYSLIVEPKTVFYNLMQKGRLHLPPQEQEAEMYEIVMSKMEAHGIHQYEISNFAKAGMESKHNLTYWSNEQYFGFGAGAHGYIGGTRTVNVGPVKHYIDLIAEKGFPYRDTHEVTTEEQIEEEMFLGLRKTAGVSKKRFAEKYGRSLDGLFPSVLKDLAEKGLIHNSESAVYLTHQGKLLGNEVFGAFLGEL 4RTB Chain:A ((107-344)) ---------ICINNCSYCSFRRENKELSRVRLSLEEAVDEAKAIREM----GHTRILLVMGEEPEDKTLSYLEEIIPAIYSEVDI------RRINVNIAPLTLKGYERLKKLKIGTYQLFQESYNPEVYREVHLDGPKTNFLWRLNAVERAIEAGIDDIGIGALFGLGD-PLFELLGVIAHADYLKKKFGIGPHTVSVPRLKPALNSVFSND------YKISDHKFKKIVALLRIMLPYTG----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4RTB.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 : 922 -6132 -6.65 -29.91 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -6.65 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_4RTB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RTB-query.scw PDB file : Tito_Scwrl_4RTB.pdb: