Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDIQGIKEALPHRYPMLLVDRVLEVSED-TIVAIKNVTINEPFFNGHFPQYPVMPGVLIMEALAQTAGVLEL-SKPENKGKLVFYAGMDKVKFKKQVVPGDQLVMTATFVKRRGT--IAVVEAKAEVDGKLAAS-GILTFAIGN 3AZA Chain:D ((11-151)) -IDIEDIKKILPHRYPFLLVDKVIYMQPNKTIIGLKQVSTNEPFFNGHFPQKQIMPGVLQIEALAQLAGILCLKSDDSQKNNLFLFAGVDGVRWKKPVLPGDTLTMQANLISFKSSLGIAKLSGVGYVNGKVVINISEMTFA---

General information: TITO was launched using: RESULT: Template: 3AZA.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 : 592 -56825 -95.99 -417.83 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.83 3D Compatibility (PKB) : -95.99 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_3AZA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AZA-query.scw PDB file : Tito_Scwrl_3AZA.pdb: