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------GKPEFVNVTSHGKTILEAVSDVSIKDPPVYSDHLKVILLGEKLMRNQNVDQVLNHFIRDDELRRSSYLMAARGNAADVFTKGNPKIMIPLRIGRASVYSQ----------------------NGYSYLIQAVKNEKGKAKYDGAGIIKRGSNKLVGFLSADETQTLSWVMGTIQGGVMPTTDKGHPITFEIKKSKTKIKPVIENGKPVFHISVKTKGILTEDQNFS-----KSYLHRLENIFEKKLERDVKQVMDKLQHEYKTDPVFLSDHIRIQHPDYWNKVKGHWDEIFSETDFKYDISFKIIN------

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 -101697 -76.12 -327.00 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.89 3D Compatibility (PKB) : -76.12 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.458

(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: