Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKRCSWVKMTNPLYIAYHDEEWGQPLHDDQALFELLCMETYQAGLSWETVLNKRQAFREAFHSYQIHSVAEMTDTELEAMLENPAIIRNRAKIFATRANAQAFLQLQAEYGSFDAYLWSFVEGKTVVNDVPDYRQAPAKTPLSE---KLAKDLKKRGFKFTGPVAVLSFLQAAGLVDDHENDCEWKGLK 4AI5 Chain:A ((12-184)) -----------DPVYLNFHDHVWGQPLYDSKALFKLLALESQHAGLSWLTILKKKEAYEEAFYDFEPEKVAQMTAQDIDRLMTFPNIVHHRKKLEAIVNQAQGYLKIEQAYGSFSKFLWSYVNGKP--KDL-QYEHASDRITVDDTATQLSKDLKQYGFKFLGPVTVFSFLEAAGLYDAHLKDCPSK---

General information: TITO was launched using: RESULT: Template: 4AI5.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 : 736 -61947 -84.17 -364.39 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -84.17 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.570

(partial model without unconserved sides chains): PDB file : Tito_4AI5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AI5-query.scw PDB file : Tito_Scwrl_4AI5.pdb: