Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKFVMMKTLYNNPIVR--QRADPWVYKHTDGYYYFTGSVPG----------YQVIELRRAKSLNELEHAASLIVWQAHEEGPMSELIWAPEVHYINGKWYIYFAASNHKTIRDESHHHRMFVLENQHIDPMNTDWIEK--GQIKTKR--------ETFSLDGTTFSS-QGKLYYVWAQQDPEITGNSNLYLSEMDNP-WTLKGKQILLSIPEYEWEKRGFSVNEGPAVLTRNGKIFITYSGSATDENYAMGLLWADEHKNLLLKESWHKLSEPVFVSSEKNKQFGPGHNSFTVSEDGCFDILIYHARPEKNQKGDPLDNPNRHANAQCFTWNEQGFPEFGEPVPYAL 5A8C Chain:A ((27-323)) ----------ADYPIFSQRFTADPAAVVY-NGRLYIYCSHDSDATPGQSTYNIPDITCISTDDLKNWTDHGEVFNAK-RDSRW-ASVSWAPSIVYRNNKFYLYYGNGG----------NGIGVAV--SDSPT-GPFKDPLPGPLVSWNTPGVQPAQNMWLFDPGVFVDDDGQAYMYFGGNGQ-----NNIRVIKLGNDMISTVGSAMTMS---------APRFFEAAYMHKYNGKYYFSYASDFSQGASKIEYMMSD---KPTTG--FQYKG-VILPQPP-DNYSNNNHHAIVEYK-G-NWYVVYHNRTVAKQRGL-DPVYQRNVCIDQMFYNADGTIKQVVPTVDG-

General information: TITO was launched using: RESULT: Template: 5A8C.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 : 1636 26917 16.45 98.60 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 16.45 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.368

(partial model without unconserved sides chains): PDB file : Tito_5A8C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A8C-query.scw PDB file : Tito_Scwrl_5A8C.pdb: