Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYQEDLHPLLGKAVEHINRVMVGKRDIAILSLAALL---------------AKGHVLLEDVPGVGKTMMVRALAKSIGADFKRIQFTPDLLPSDVTGVSIYNAKTMEFEYRPGPIMGNIVLADEINRTSPKT-----------QSALLEAMEEGSVTVDGHTMQLADPFFVMATQNPVEYEGTYPLPEAQLD--RFLFKLRMGYPSFNEELDVLSLQEKSHPIETLEPVIAKEDFIFLQREVQNVRADDSIKEYIVEIVQKTRQHPSVQLGVSPRGSIALMKAAQAYALLHHRDYVIPDDIQYLAPFTLPHRMMLHPEAKFEGIQAEAIVREIMSAVKVPVQRSAVR 4CR2 Chain:I ((181-427)) ------------------YSDIGGLESQIQEIKESVELPLTHPELYEEMGIKPPKGVILYGAPGTGKTLLAKAVANQTSATFLRIVGSELIQK--YLGDGP-RLCRQIFK-VAGENAPSIVFIDEIDAIGTKRYDSNSGGEREIQRTMLELLNQLDG------FDDRGDVKVIMATNKIE-----TLDPALIRPGRIDRKILFENPDLSTKKKILGIHTSK----------------------MNLS-EDVNLETLVTT----------KDDLSGADIQAMCTEAGLLALRERRMQVTAEDFKQAKERVMKNK-----------------------------------

General information: TITO was launched using: RESULT: Template: 4CR2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 971 -86651 -89.24 -395.67 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain I : 0.61 3D Compatibility (PKB) : -89.24 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.313

(partial model without unconserved sides chains): PDB file : Tito_4CR2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CR2-query.scw PDB file : Tito_Scwrl_4CR2.pdb: