Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFLNNLPALTLGTAIPWDLVQQSFWPILSGGIYYTIPLTILSFIFGMILALITALARMSKVRPLRWVFSVYVSAIRGTPLLVQLFIIFYLFPAFNVTLDPFPSAVIAFSLNVGAYASEIIRASILSVPKGQWEAGYTIGMTHQKTLFRVILPQAFRVSIPPLSNTFISLIKDTSLASQILVAELFRKA---QEIGARNLDQILVIYIEAAFIYWIICFLLSLVQHVIERRLDRYVAK 4YMS Chain:D ((10-214)) ----------------------KYTPLFISGLIMTLKLTFLAVTIGVLMGLFIALMKMSSIKPIKLVASSYIEVIRGTPLLVQLLLIYNGLMQFGMNIPAFTAGVSALAINSSAYVAEIIRAGIQAVDPGQNEAARSLGMTHAMAMRYVIIPQAIKNILPALGNEFIVMLKESAIVSVIGFADLTRQADIIQSVTYRYFEP----YIIIAAIYFVMTLTFSKLLSLFERRL------

General information: TITO was launched using: RESULT: Template: 4YMS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 719 -116904 -162.59 -578.73 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -162.59 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.288

(partial model without unconserved sides chains): PDB file : Tito_4YMS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMS-query.scw PDB file : Tito_Scwrl_4YMS.pdb: