Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLIAAAIAIGLGALGAGIGNGLIVSRTVEGIARQPEAGKELRTLMFMGIALVEALPIIAVVIAFLAFFG 3ZK1 Chain:A ((13-80)) CSAVGAGLAM-IAGLGPGIGEGYAAGKAVESVARQPEARGSIISTMILGQAVAESTGIYSLVIALILLY-

General information: TITO was launched using: RESULT: Template: 3ZK1.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 : 135 -15003 -111.13 -220.63 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -111.13 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.338

(partial model without unconserved sides chains): PDB file : Tito_3ZK1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZK1-query.scw PDB file : Tito_Scwrl_3ZK1.pdb: