Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKITTNEQFN-ELIQSDKEIIVKFYADWCPDCTRMNMFIGDILEEYNQN-DWYELNKDELPDLAEKYQVMGIPSLLIFKNGEKTAHLHSANAKTPEEVTEFLSEHIS 4KCA Chain:A ((9-109)) -----TDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAA--TKVGALSKGQLKEFLDANLA

General information: TITO was launched using: RESULT: Template: 4KCA.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 : 400 -55923 -139.81 -564.88 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -139.81 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_4KCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KCA-query.scw PDB file : Tito_Scwrl_4KCA.pdb: