Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIMKMTHLNMKDFNKPNEPFVVFGRMIPAFENGVWTYTEERFSKPYFKQYEDDDMDVSYVEEEGKAAFLYYLENNCIGRIKIRSNWNGYALIED------------IAVAKDYRKKGVGTALLHKAIEWAKENHFC-GLMLETQDINISACHFYAKHHFIIGAVDTMLYSNFPTANEIAIFWYYKF 4R3K Chain:A ((43-144)) --------------------------------------------------------VEHLKEYGLAFFVAIVDNSVVGYIMPRIEW-GFSNIKQLPSLVRKGHVVSIAVLEEYRRKGIATTLLEASMKSMKNDYNAEEIYLEVRVSNYPAIALYEKLNF---------------------------

General information: TITO was launched using: RESULT: Template: 4R3K.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 : 322 -14205 -44.11 -159.61 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -44.11 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.360

(partial model without unconserved sides chains): PDB file : Tito_4R3K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R3K-query.scw PDB file : Tito_Scwrl_4R3K.pdb: