Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHGMAGLPTATLIGQVELGRQVSIWFGAVVRADNCVVRIGNFSNIQENSVLHTDAGLELNIGEYVTVGHKVMLHGCTIGDNSLIGMNAVILNRAVIGKNCIIGANALIPEGKVIPDNSVVMGSPGKIVKTLDEEGAAKIRLSALHYAEHFKSYADLKEFYF 3VNP Chain:C ((24-171)) -----------TITGDVVIGEETSIWFNTVIRGDVAPTVIGNRVNIQDNSILHQSPNNPLIIEDGVTVGHQVILHSAIVRKNALIGMGSIILDRAEIGEGAFIGAGSLVPPGKKIPPNTLALGRPAKVVRELTEDDIREMERIRREYVEKGQYYKALQQ---

General information: TITO was launched using: RESULT: Template: 3VNP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 822 -110568 -134.51 -747.08 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain C : 0.78 3D Compatibility (PKB) : -134.51 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_3VNP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VNP-query.scw PDB file : Tito_Scwrl_3VNP.pdb: