Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKPVPKIYRTTNWSSYNQALIKRGNISIWFDPKTQWYAQPQGKHGRNQTYSD-------AAIQCCLMIKSLFRLSLRMVTGFAQSLIKLCGLNWTAPDYSTLCRRQKRIDIAISYQQSR-------DGLHLLVDSTGLKFLGEGEWK-RKKHQPAYRRQWRKLHIGIDAKTLQIRAVQLTTNNVSDSQVLGDLLDQIPLDERIDSVYTDGAYDTKHCRQVILDRDAHAVIPPRKNAKPWKDKKLRSLARNELLKTVKRLGRSLWKKWSGYHRRSLVETKMHCIK 2HDW Chain:A ((116-255)) ----------------YAQTMAERGFVTLAFDPS---YTGESGGQPRNVASPDINTEDFSAAVDFISLLPEVNRERI--------GVIGICGWGGMALNAVAVDKRVKAVVTSTMYDMTRVMSKGYNDSVTLEQRTRTLEQLGQQRWKDAESGTPAYQPPYNELKGG----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HDW.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 : 362 -9671 -26.72 -77.37 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -26.72 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.230

(partial model without unconserved sides chains): PDB file : Tito_2HDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HDW-query.scw PDB file : Tito_Scwrl_2HDW.pdb: