Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFLNNLPALTLGTAIPWDLVQQSFWPILSGGIYYTIPLTILSFIFGMILALITALARMSKV-------RPLRWVFSVYVSAIRGTPLLVQLFIIFYLFPAFNVTLDPFPSAVIAFSLNVGAYASEIIRASILSVPKGQWEAGYTIGMTHQKTLFRVILPQAFRVSIPPLSNTFISLIKDTSLASQILVAELFRKAQEIGARNLDQILVIYIEAAFIYWIICFLLSLVQHVIERRLDRYVAK 3TUI Chain:A ((3-216)) ---------------------EPMMWLLVRGVWETLAMTFVSGFFGFVIGLPVGVLLYVTRPGQIIANAKLYRTVSAIVNIFRSIPFIILLVWMIPFTRVIVGTSIGLQAAIVPLTVGAAPFIARMVENALLEIPTGLIEASRAMGATPMQIVRKVLLPEALPGLVNAATITLITLVGYSAMGGAVGAGGLGQIGYQYGYIG--YNATVMNTVLVLLVILVYLIQFAGDRIVRAVTR----

General information: TITO was launched using: RESULT: Template: 3TUI.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 : 867 -142182 -163.99 -686.87 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -163.99 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.264

(partial model without unconserved sides chains): PDB file : Tito_3TUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUI-query.scw PDB file : Tito_Scwrl_3TUI.pdb: