Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQEKLALVESALEDFYGDQQFASSLRESVLYSIHAGGKRIRPFLLLEVLEAL---QVAIKPAHAQVATALEMIHTGSLIHDDLPAMDDDDYRRGRLTNHKKFGEAMAILAGDALFLDPYALIAQA--DLPSQIKVDLIANLSLASGSLGMVAGQVLDMEGEHQ-HLSLEELQTIHANKTGKLLAYPFQAAAIIAELSPEMQVKLKTVGELIGLAFQVRDDVLDVTASFEEIGKTPQKDLQAEKSTYPALLGLEESIAFCNQTLDQANEKLEEIAQQVPFETESIVSVVESLRING 3KRP Chain:D ((31-272)) --------------------------IHESMRYSLLAGGKRVRPMLCIAACELVGGDESTAMPA----ACAVEMIHTMSLMHDDLPCMDNDDLRRGKPTNHMAFGESVAVLAGDALLSFAFEHVAAATKGAPPERIVRVLGELAVSIGSEGLVAGQVVDVCSEGMAEVGLDHLEFIHHHKTAALLQGSVVLGAILGGGKEEEVAKLRKFANCIGLLFQVVDDILDVTKSSKELGK-----------TYPKLIGVEKSKEFADRLNREAQEQL-------------------------

General information: TITO was launched using: RESULT: Template: 3KRP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1053 -33687 -31.99 -149.72 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.78 3D Compatibility (PKB) : -31.99 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_3KRP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KRP-query.scw PDB file : Tito_Scwrl_3KRP.pdb: