Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPVTPNNGVSAVDDGYVFNPNDIVRDTGDAYIVRHGDHYHYIPKSSLNNPPSHSNTEEVGSSSSSVLSNPSLHVHHEEEDGHGFDANRIISEDSEGFVIPHGDHNHYIKVQTKGYEAALKNKIPSLQSNYPPGTFDEKAVLAKVDQLLADSRSIYKDKPIEQRQIELALGQFTESLKKIKVS 1MDB Chain:A ((399-479)) ------NAASFTEDGF-YRTGDIVRLTRDGYIVVEGR-----AKDQINRGGEKVAAEEV---ENHLLAHPAVH-----DAAMVSMPDQFLGERSCVFIIPR---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1MDB.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 : 221 2095 9.48 25.86 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 9.48 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.68 QMean score : -0.080

(partial model without unconserved sides chains): PDB file : Tito_1MDB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MDB-query.scw PDB file : Tito_Scwrl_1MDB.pdb: