Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIKVMEYAAEIARRQSFTKAAEHLHIAQPSLSQQIKKLEAELGLTLFHRSHGSVTLTPHGRRFIEKAEDIIRSRDDLLREM---QERSQGIGHKLSI--GIPAVTGRYLFPPLLKQFLARYPHVEVQLVEKDP-VSLEKMTAKGEVDLSVLSLPIEDERLSITPLLTEPV-VLAVPKEKQRWMPPELVALIEKALEEDEGRQPCVPIDMVRNVPFILLKEGF---GFRRTVLDLCAESG-FKPNAAFKTSHIETAQSLVANGLG-VTMAPNMVRRDKDPG-VIYLSIQSAPSRTLVF--VFLKNRYVSLTAQAFMELSRESLKQTFDEGCLGNKDENI 3HHG Chain:A ((13-294)) ----------QVVESGSFSRAAEQLAMANSAVSRIVKRLEEKLGVNLLNRTTRQLSLTEEGAQYFRRAQRILQEMAAAETEMLAVHEIPQGV---LSVDSAMPMVL--HLLAPLAAKFNERYPHIRLSLVSSEGYINL----IERKVDIALRAGELDDSGLRARHLFDSRFRVIASPEYLAKHGTPQ-------STEELAGHQ-CL---------------GFTEPGSLNTWAVLDAQGNPYKISPHFTASSGEILRSLCLSGCGIVCLSDFLVDNDIAEGKLIPLLAEQTSDKTHPFNAVYYSDKAVNLRLRVFLDFLVEELG---------------

General information: TITO was launched using: RESULT: Template: 3HHG.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 : 1057 -134659 -127.40 -504.34 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -127.40 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_3HHG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HHG-query.scw PDB file : Tito_Scwrl_3HHG.pdb: