Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKTLQFGITNFEIDFKDLVMNTMIKNKRFENDVEFRGADIKDSRAVVILLHGRRQNADTIYELAEKIGFTDITYILPLAP-----------ELTWYPR-GFMRDLEDNQPYLSVALERIHYIITDLKNQNIKPENIFLMGFSQGACIVSQYLWENPQKLGGVIAFTGGLFGPELTYTSHEGLPINGT----QLIFTGGKEDSWVPEQRVRDTAALFEKL--GGNVTTKIYSGRDHLVSDEEVELAKTLLNI 5SYM Chain:A ((18-223)) -----------------------------------------RKATAAVIFLHGLGDTGHGWAEAFAGIRSSHIKYICPHAPVRPVTLNMNVAMPSWFDIIGLSPDSQEDESGIKQAAENIKALIDQEVKNGIPSNRIILGGFSQGGALSLYTALTTQQKLAGVTALSCWL---PLRASFPQG-PIGGANRDISILQCHGDCDPLVPLMFGSLTVEKLKTLVNPANVTFKTYEGMMHSSCQQEMMDVKQFID-

General information: TITO was launched using: RESULT: Template: 5SYM.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 : 971 -23256 -23.95 -123.70 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -23.95 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.693

(partial model without unconserved sides chains): PDB file : Tito_5SYM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5SYM-query.scw PDB file : Tito_Scwrl_5SYM.pdb: