Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDGAMQGSYATALLKQQQLPESFQFYFKQKQHLSNTQELHQLHELVRPRLKIAIVTETWPPEINGVALSLLQLCQGLQKQGHKILLVRPEQKAKCHDFLPE---QECLVMSQAIPKYPTLQFGWPQYLKVSKAFEKFVPDVVHIVTEGPLGLTAMQAAK--AKDIPVSSGFHS----------PFQDFSRF-FDLAFLVKPIQKYLCWFHNNTQVTCVPSKDTEEALRGFGITCPLVVVGRGVDTTRFSPKHRSENLRQQWGVDSDTRVMLYVGRLSPEKEVQLIVESYAAMQNIQQQKTKLVVVGDGPD----LARLKALPEAKNVIFTGSLCGHDLAVAYASADVFVFASQVETFGNVVLEAMASGLPVIAYDYACAHQYLIHGVNGWLSPLGHKNHFIQQIYQLPSIQQL-REMGIQACHKV-QQSGWQLPVQQLEQAFYQVVKELSADFT 3MBO Chain:A ((35-408)) ------------------------------------------------KLKIGI---TCYPSVGGSGVVGTELGKQLAERGHEIHFITSGLPF----VYPNIYFHEVTVNQYSVFQYPPYDLALAS--KMAEVAQRENLDILHVHYAIPHAICAYLAKQMIGERIKIVTTLHGTDITVLGSDPSLNNLIRFGIEQSDVVTAVSHSLI---NETHELVKPNKDIQ-------------TVYNFIDE-RVYFKRDMTQLKKEYGISESEKILIHISNFRKVKRVQDVVQAFAKI--VTEVDAKLLLVGDGPEFCTILQLVKNLHIEDRVLFLGK--QDNVAELLAMSDLMLLLSEKESFGLVLLEAMACGVPCIGTRVGGIPEVIQHGDTGYLCEVGDTTGVADQAIQLLKDEELHRNMGERARESVYEQFRSEKIVSQYETIYYDVLRD------

General information: TITO was launched using: RESULT: Template: 3MBO.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 : 1926 -2591 -1.35 -7.44 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -1.35 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.435

(partial model without unconserved sides chains): PDB file : Tito_3MBO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MBO-query.scw PDB file : Tito_Scwrl_3MBO.pdb: