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:U ((11-152)) -IDIEDIKKILPHRYPFLLVDKVIYMQPNKTIIGLKQVSTNEPFFNGHFPQKQIMPGVLQIEALAQLAGILCLKSDDSQKNNLFLFAGVDGVRWKKPVLPGDTLTMQANLISFKSSLGIAKLSGVGYVNGKVVINISEMTFAL--

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 U - contact count / total energy / energy per contact / energy per residue : 613 -62760 -102.38 -458.10 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain U : 0.84 3D Compatibility (PKB) : -102.38 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.542

(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: