Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQNPAAQAGDKVPNMSNARRGETSDDYARHKAAASRAFLENHYQSLLANTRNGVGRAVGPRQKEPSFSDFHLFKCIGRGAFGEVFVCKYKSDKTDTLYALKRLRKSDMITKKQVVHVRSEKDVLAEAAASNPWVVHLYRSFQDSLYLYMVMEYMPGGDMISWLCDKGIFDVESTRFYIAELCAAVASVHDMGFVHRDIKPDNILFGESGHIKLSDFGLSKRFVEKRGNLLDYDDPSSSSNGAEASADEKSAYESRTDAPSGSPSGDGAGTGIAHGRVREMFQSIVGSPGYIAPEILLRKP----YGVGCDWWSVGVIMYEMLYGIPPFFSQNPNSTCHKIKNWREHLVFPPQRHIPDDAVDFMKRLIC-EPEK--RMTYDEICHHDFLKPMDMNGL--LKLQAPYVPALSNRLDTKYFPEIKEPSAPMQQSEEQKVREVDPRGVMFADFRFNYSGDQAGPASA 3V8S Chain:D ((65-397)) ----------------------------------------------------------------RMKAEDYEVVKVIGRGAFGEVQLVRHKS--TRKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFA--NSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNY-DVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKSGHLKLADFGTCMKMNKEGM---------------------------------------------------VRCDTAVGTPDYISPEVLKSQGGDGYYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISKEAKNLICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSSDIDTSNFDDLEEDKGEEETFPIPKAFVG--NQLPFVGFTY-YSN--------

General information: TITO was launched using: RESULT: Template: 3V8S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1598 -89464 -55.98 -276.12 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.74 3D Compatibility (PKB) : -55.98 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_3V8S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V8S-query.scw PDB file : Tito_Scwrl_3V8S.pdb: