Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMHSDQINPDSNENQDPNNLIDQFFSSKGVTIPSDFKSGFVAIVGRPNVGKSTLMNHLLGQKLSITSRKPQTTRHKIIGIDS-REKMQAVYVDTPGMHK-KEVRAINKMMNRAAHSALRDVNLVLFVIDAHK-WTQNDDLVLDK-LKNADMPVILVINKADTFGDKREILPLIQE-RAKLMNFAEIVPVSALRGANLEHLSETIEKYLPYQPPLYSFDQITDRSERFLASEIIREKIMRQLGEELPYDLTVQIESFKTEEATVNEKTGRLKPACTYIDATIFVDRPGQKAIVIGEKGAKLKTIGMDARKDMEKMFEQKIMLTLWVKVKGGWSDDERALKSLGYSDI 3R9W Chain:A ((7-306)) ------------------------------------MKVGYVAIVGKPNVGKSTLLNNLLGTKVSIISPKAGTTRMRVLGVKNIPNEAQIIFLDTPGIYEPKKSDVLGHSMVEIAKQSLEEADVILFMIDATEGWRPRDEEIYQNFIKPLNKPVIVVINKIDKIGPAKNVLPLIDEIHKKHPELTEIVPISALKGANLDELVKTILKYLPEGEPLFPEDMITDLPLRLLAAEIVREKAMMLTREEVPTSIAVKINEIKPGDAN---------PNMLVIKGEIIVDRENLKPIIIGKKGQRLKEIGKRARQELELILGRPVYLELWVKVVPDWRRRPEYVRLFGYA--

General information: TITO was launched using: RESULT: Template: 3R9W.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 : 1536 31343 20.41 106.25 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 20.41 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_3R9W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R9W-query.scw PDB file : Tito_Scwrl_3R9W.pdb: