Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDFTTEIMEILINKGDLDDLFRRHLELAINALLQAELTVFLDYEKYDRAGFNSGNSRNGNYSRSFKTEYGELNLVIP---------RDRNGDFSQQTLPAYKRTNDSLETTIIQLVQKGITMSEISDLIEKMYGHYYKPQTISNMSKIVSEDVSAFKERTLEAKYSVIFMDATHIPLKRQTVSKEAVYIVIGI--RLDGTKE-------VLGFTIAPTE--SAYVWKEILQDLKDRGLEEVLLVVTDGLSGIDDSIHSVYPNAQ----FQQCCVHISRNIAHKVRVSDRQEICSDFKLVYQASSKEEAN-NQIRFMIDKWKKQYPRVVKLLMNPAILTFYNFPPSIRRTIYSTNLIEGFNKQLKKYTKRKEQFPNEESLERFLVSQFNNYNQKFLCRVHKGFKEIHDTLESMF 5MJI Chain:A ((2-253)) -----------------------------------------------------------------------ALKALILNTTLRRSPSRSQTQGLIDKAVPLYEKEG--IETEVVRVIDHDI---------EQEYWDDYDDWNAGEKARREDE-WPWLLEKIREAD---ILVIATPITLNMCTSAAHVILEKLNLMDELNGDTKQFPLYNKVAGLLMCGNEDGAHHVAGTVLNNLGRLGYSVPPNAAAYWLGPAGTGPGYIEGKGDRHFHTNKLIRFMVANTSHLARMLQETPYTTDLEACAQAAREESDDVFAIRVNVNTPAIRYKRFQKLGEVKVEE----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5MJI.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 : 1067 38599 36.18 170.04 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 36.18 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.153

(partial model without unconserved sides chains): PDB file : Tito_5MJI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MJI-query.scw PDB file : Tito_Scwrl_5MJI.pdb: