Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAVVIAVLLMLVLSLLRVNIVIALIIGALAGGLTGGLGLGETVKAFTDGLGGNATVAVSYAMLGAFAAALTKTGLPDAMVEASVKLIGNKEDSRKKALSKVLIVLIILIVSCFSQNVVPVHIAFIPVLIPPLLKIFNELEMDRRLIACVITFGLTAPYILLPVGFGQIFQGML----KDNMAD---AGLNVPLADIPYALIIPVAGMVVGLILSVIV--YRKPKQYET-KD-ISG-AEASPYTRKSIGIA---VLAIVVSLGVQLYLSQ-TL------G-VEG---MIMGALAGLIVLFVS---GVM-K----RDEADSLITDGMVLMAFIGFVMLVAAGFSNVLTKTGDVES-LVKTSAGF-IG-HSQSLGALLMLIVGLLITMGIGSSFATIPVITTIFVPLCMQLGFSPMATIAIIGAAAALGDAGSPASDSTLGPTSGLSADGQHHHIWDTCVPTFIFYNIPLVIFGWIAALVL 4R0C Chain:A ((68-477)) -----------------------------------------YLFTTLVGNFTGFAPLG-VVLVAMLGLGVAEQSGLLSVSLASLVRRSSGG-------AL-VFTVAFAGVLSSLT-VD-----AGYVVLIPLAGLVFQLAGRPPIAGIATAFAAVSGGFSANLLVGP---VDATLAGLSTEAAHIIDPDRTVAATGNYWFIIASTFLVT---GLVTLITRTLTEPRLAHANTVADASVDAPQIHSRAMKWTGLTLAILLAGLALLVLPNDAPLRHPDTGSVLGSPFIHGLVVIVALIAGICGAVYGRVSGQFRNSGAVITAMEVTMASMAGYLVLMFFAAQFVAWFNYSQLGLLLAVKGAAWLGALTVPKVVLLLLFVVLTALINLMIGSASAKWSILAPVFIPMLMLLGISPEASQAAYRVGDSSTNIITPLMPYFVLVLGFARRYQPETGIGT-----LIALMLPYSLTLLLGWS--

General information: TITO was launched using: RESULT: Template: 4R0C.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 : 1801 -250183 -138.91 -670.73 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -138.91 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.324

(partial model without unconserved sides chains): PDB file : Tito_4R0C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R0C-query.scw PDB file : Tito_Scwrl_4R0C.pdb: