Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFISMWAQDKNGLIGKNGLLPWRLPNDMRFFREHTMDRILVMGRKTYEGMGDLSLPYRHIIVLTTQPNFRTKENAEVMHSIDELLSYSQTISEDIYVSGGSRIFQELLPYTGRIWRTLIDSTFEGDTYIGNIDFSDFALIEEYEGITDQENLYAHRFQKWERVKNRVASKEE 3SA1 Chain:A ((9-163)) ----MVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGR-PLPGRRNIIVTRNEGYHV-EGCEVAHSVEEVFELCKN-EEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK----------

General information: TITO was launched using: RESULT: Template: 3SA1.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 : 687 -90114 -131.17 -581.38 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -131.17 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_3SA1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SA1-query.scw PDB file : Tito_Scwrl_3SA1.pdb: