Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDFTTEIMEILINKGDLDDLFRRHLELAINALLQAELTVFLDYEKYDRAGFNSGNSRNGNYSRSFKTEYGELNLVIPRDRNGDFSQQTLPAYKRTNDSLETTIIQLVQKGITMSEISDLIE--KMYGHYYKPQTISNMSKIVSEDVSAFKERTLEAKYSVIFMDATHIPLKRQTVSKEAVYIVIGIRLDGTKEVLGFTIAPTESAYVWKEILQDLKDRGLEEVLLVVTDGLSGIDDSIHSVYPNAQFQQCCVHISRNIAHKVRVSDRQEICSDFKLVYQASSKEEANNQIRFMIDKWKKQYPRVVKLLMNPAILTFYNFPPSIRRTIYSTNLIEGFNKQLKKYTKRKEQFPNEESLERFLVSQFNNYNQKFLCRVHKGFKEIHDTLESMF 4F3V Chain:A ((1-275)) ---------------GHMTDRLASLFESAVSMLPMSEARSLDLFTEITNYDESACDAWIGRIRCGDTDRVTLFRAWYSRRNFGQLSGSV---------------------QISMSTLNARIAIGGLYGDITYPVTSPLAITMGFAACEAAQGNYADAMEALE---------AAPVAGSEHLVAWMKAVVYGAAERWTDVIDQVKSAGKWP----DKFLAGAAGVAHGVAAANLALFTEAERRLTEANDSPAGEACARAIAWYLAMARRSQ-----------GNESAAVALLEWLQTTHPE--PKVAAALKDP-------------------------SYRLKTTTAEQIASRADPWDPGSVV-----------------------------

General information: TITO was launched using: RESULT: Template: 4F3V.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 : 1379 4408 3.20 16.14 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 3.20 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.171

(partial model without unconserved sides chains): PDB file : Tito_4F3V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4F3V-query.scw PDB file : Tito_Scwrl_4F3V.pdb: