Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVRKCLLAVLMLLSVIVLPGCWDKRELTDLAIISAIGIDRTNDSNYVLHLQIINPGNVAGGLQGGGAGDRPPVSVYSIEGNNITEALRKASMKVSRRLYFAHTNLVVINEKLAKEEGLDFVLDNLDRDTEFRTTATFVVAHKTKAENIVKILTPIDKIPSNKVNKTLDFTEAQYGR-VVKINIQDVLKTLAANTMAPVIPGYMMIGDDKKGVSMENTQATDPKAILQADGLAVFDK--AGYLKYWLEDDESVGAVWLMNKIQHTFINADWGKTKDAVSLQVTHQDTKLVPKMRNGRPYIHVKVSVEGIIDAVKYPFQLSDPKVLAAIEKALNKELEKEISHTVKKIKK-NKIDFIGFGDTIYRKYPEQWEKMKDTWDKEYLPELPIDVKAETYIRRTGLRNNPIKHQFKDD 3N54 Chain:B ((1-344)) -------------------------DIEQLSFARGLAIDETNDHQYKLTYQNLLPQS-----------GKPEFVNVTSHGKTILEAVSDVSIK-DPPVYSDHLKVILLGEKLMRNQNVDQVLNHFIRDDELRRSSYLMAARG-NAADVFTKGNP---------------------KIMIPLRIGRAS-VYSQNGYSYLIQAVKNEK-----------------GKAKYDGAGII-KRGSNKLVGFLSADETQTLSWVMGTIQGGVMPTTDKGH--PITFEIKKSKTKIKPVIENGKPVFHISVKTKGILTEDQN----FSKSYLHRLENIFEKKLERDVKQVMDKLQHEYKTDPVFLSDHIRIQHPDYWNKVKGHW-DEIFSETDFKYDISFKIIN---------------

General information: TITO was launched using: RESULT: Template: 3N54.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1303 -133206 -102.23 -433.89 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -102.23 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_3N54.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N54-query.scw PDB file : Tito_Scwrl_3N54.pdb: