Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCPLMAENHEVIEEGNSSELPLSAEDAKKLTELAENVLQGWDVQAEKIDVIQGNQMALVWKVHTDSGAVCLKRIHRPEKKALFSIFAQDYLAKKGM-NVPGILPNKKGSLYS--KHGSFLFVVYDWIEGRPFEL-----------------TVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSF---------DLPIRDLRKMIIPLLDT---------------------TGVWDDETFNVMLNAYESRAPL-TEEQKQVMFIDMLFPYELYDVIREKYVRKSALPKEELESAFEYERIKANALRQLI 4U98 Chain:A ((126-413)) ---------------------------------------------APPKVSSAEQSNTSVIFG---KDAMLKVFRRVTPGINPDIELNRVLAQAGNRHVARLLGSFETSWAGPGTDRCALGMVTAFAANSAEGWDMATASAREMFADVVGSDFADESYRLGNAVASVHATLAEALGTSTEP--FPVDTVLARLQSAA-------RS----------------APELAGRAAAVEERYRR-----L-DGRAITVQRVHGDLHLGQVLRTPD-DWLLIDFEGEPGQPLDERRRPDSPLRDVAGVLRSFEYAAYQKLVELAPEQDADGRLADRARNWVDRNSAAFCAGYAAVAGDDPRRDGDVLAAYELDK----------------------------------------

General information: TITO was launched using: RESULT: Template: 4U98.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 : 945 -38625 -40.87 -162.97 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -40.87 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.323

(partial model without unconserved sides chains): PDB file : Tito_4U98.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U98-query.scw PDB file : Tito_Scwrl_4U98.pdb: