Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKEITFSVFFLQFIEKSLYFASYSFFVTIRNGTSKKMKKQGTRYMEKKQKIILGATSALTIVILILSLFFVIRSSTKKEPIIPEKKITEKAKEPTDDKQQLVTQAKNLAQSYDYDQAIALLEKDSKNGSTETQQLLQTLKKEKEQLIDWSDPTQISHVFFHSLIVDPQKAFHSQQAQGYKDYMVTVEEFNRSIEQLYQNDFVLVNLNDLIQKDEQGNLSFNGLALPEGKKPLVLSQDDVSYYEYMDNSGFPSRLV-VSNNNEIKNVYKEKDKEEIGDFDMVPLIDAFVKKHPDFSYRGAKGTLALTGYNGVLGYRTSKSQYGDNEKTKKEIKEAKKVAEQLKKDGWSFASHTWGHLNMTQASLEDVKKDNELWQQEVAPILGK-T-NILIYPFGADISDWQPYSAENQKFAYLKSQGFDIFCNVDASTPAWGQLGTDFYRNARINIDGIRFQSDLDGKNPILDPFINVHDVYDKEARESA 1NY1 Chain:B ((36-186)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SVNHQPPDAGKQLNSLIE-KYDA---------FYLG-------NTK--EKTIYLTFDN----------GYENGYTPK----------------------VLDVLKKH----------RVTGTFFVTGHFVK---------------------DQPQLIKRMSDEGHIIGNHSFHHPDLTTKTADQIQDELDSVNEEVYKITGKQDNLYLRPPRGV-------FS--EYVLKETKRLGYQTVF----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NY1.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 : 565 9262 16.39 62.58 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : 16.39 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_1NY1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NY1-query.scw PDB file : Tito_Scwrl_1NY1.pdb: