Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVQQKVEVRLKTGLQARPAALFVQEANRFTSDVFLEKDGKKVNAKSIMGLMSLAVSTGTEVTLIAQGEDEQEALEKLAAYVQEEV 3LE1 Chain:B ((6-82)) -----IEIKNKTGLHARPAALFVQTASKFSSQIWVEKDNKKVNAKSIMGIMSLGVSQGNVVKLSAEGDDEEEAIKALVDLIE---

General information: TITO was launched using: RESULT: Template: 3LE1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 334 -42740 -127.96 -555.06 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -127.96 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.665

(partial model without unconserved sides chains): PDB file : Tito_3LE1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LE1-query.scw PDB file : Tito_Scwrl_3LE1.pdb: