Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTASKFSVMFFMLLALCGCWDVKDIEQLSFARGLAIDETNDHQYKLTYQNLLPQSEDSQASGKPEFVNVTSHGKTILEAVSDVSIKDPPVYSDHLKVILLGEKLMRNQNVDQVLNHFIRDDELRRSSYLMAARGNAADVFTKGNPNQQQPMPSEKLIDLTTHSGYNGKIMIPLRIGRASVYSQNGYSYLIQAVKNEKGKAKYDGAGIIKRGSNKLVGFLSADETQTLSWVMGTIQGGVMPTTDKGHPITFEIKKSKTKIKPVIENGKPVFHISVKTKGILTEDQNPNENSFSKSYLHRLENIFEKKLERDVKQVMDKLQHEYKTDPVFLSDHIRIQHPDYWNKVKGHWDEIFSETDFKYDISFKIINFGTVGK 3N54 Chain:B ((1-344)) ------------------------DIEQLSFARGLAIDETNDHQYKLTYQNLLPQS------GKPEFVNVTSHGKTILEAVSDVSIKDPPVYSDHLKVILLGEKLMRNQNVDQVLNHFIRDDELRRSSYLMAARGNAADVFTKGNP----------------------KIMIPLRIGRASVYSQNGYSYLIQAVKNEKGKAKYDGAGIIKRGSNKLVGFLSADETQTLSWVMGTIQGGVMPTTDKGHPITFEIKKSKTKIKPVIENGKPVFHISVKTKGILTEDQN-----FSKSYLHRLENIFEKKLERDVKQVMDKLQHEYKTDPVFLSDHIRIQHPDYWNKVKGHWDEIFSETDFKYDISFKIIN------

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 : 1336 -109988 -82.33 -353.66 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.92 3D Compatibility (PKB) : -82.33 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.459

(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: