Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKNIYFVVLDLHTTDRDKIIQLFKDWTDYSAKLVEGELVKKDGQNALFPPSDTGET-VGLNPHRLTLTFGVSASFLK-RMNLENKRPRLFRDLPLFPKEQLREKYTGGDIVIHACADDEQIAFHAIRNLIRKGRNAVPLRWSQSGFAAIGD----RMETPWNLFGFKDGTANPTKEQ-D-FDRVIWAD----SKDWMENGSYMAVRRIQMFLETWDRTSLEEQENTFGRYKESGAPFGKKNEFDEVDLS------LLPDDSHVCLAKEV-----DKPLLRRSYSYSDGIDEKTGQFDTGLLFISFQKDP-DNFVKVQTNLGATDKMNEYITHIGSGLFTCFGGVE-KGGYIGQKLLEG 2Y4F Chain:B ((38-391)) -QAAMMLVAFDVLASDKADLERLFRLLTQRFAFLTQGGAAPETPNP-RLPPLDSGILGGYIAPDNLTITLSVGHSLFDERFGLAPQMPKKLQKMTRFPNDSLDAALCHGDVLLQICANTQDTVIHALRDIIKHTPDLLSVRWKREGFISDHAARSKGKETPINLLGFKDGTANPDSQNDKLMQKVVWVTADQQEPAWTIGGSYQAVRLIQFRVEFWDRTPLKEQQTIFGRDKQTGAPLGMQHEHDVPDYASDPEGKVIALDSHIRLANPRTAESESSLMLRRGYSYSLGVTNS-GQLDMGLLFVCYQHDLEKGFLTVQKRL-NGEALEEYVKPIGGGYFFALPGVKDANDYFGSALLR-

General information: TITO was launched using: RESULT: Template: 2Y4F.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 : 1559 22386 14.36 68.04 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : 14.36 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_2Y4F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y4F-query.scw PDB file : Tito_Scwrl_2Y4F.pdb: