Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYAIIKTGGKQIKVEEGQTVYIEKLAAEAGETVTFEDVLFVG-GDNVKVGNPTVEGATVTAKVEKQGRAKKITVFRYKPKKNVHKKQGHRQPYTKVTIEKINA 5GAE Chain:S ((1-103)) MYAVFQSGGKQHRVSEGQTVRLEKLDIATGETVEFAEVLMIANGEEVKIGVPFVDGGVIKAEVVAHGRGEKVKIVKFRRRKHYRKQQGHRQWFTDVKITGISA

General information: TITO was launched using: RESULT: Template: 5GAE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 392 3025 7.72 29.65 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain S : 0.88 3D Compatibility (PKB) : 7.72 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.651

(partial model without unconserved sides chains): PDB file : Tito_5GAE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GAE-query.scw PDB file : Tito_Scwrl_5GAE.pdb: