Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFHPIEEALDALKKGEVIIVVDDEDRENEGDFVALAEHATPEVINFMATHGRGLICTPLSEEIADRLDLHPMVEHNTDSHHTAFTVSIDHRE-TKTGISAQERSFTVQALLDSKSVPSDFQRPGHIFPLIAKKGGVLKRAGHTEAAVDLAEACGSPGAGVICEIMNEDGTMARVPELIEIAKKHQLKMITIKDLIQYRYNLTTLVEREVDITLPTDFGTFKVYGYTNEVDGKEHVAFVMGDVPFGEEPVLVRVHSECLTGDVFGSHRCDCGPQLHAALNQIAAEGRGVLLYLRQEGRGIGLINKLKAYKLQEQGYDTVEANEALGFLPDLRNYGIGAQILRDLGVRNMKLLTNNPRKIAGLEGYGLSISERVPLQMEAKEHNKKYLQTKMNKLGHLLHF 4P8E Chain:B ((36-232)) ----VENALQALREGRGVLLLDDEDRENEGDIIYAVESLTTAQMALMIRECSGIVCLCLTEAQADRLALPPMVVNNNSANQTAFTVSIEAKHGVTTGVSAQDRVTTIKTAANPQAKPEDLARPGHVFPLRARAGGVLARRGHTEGTVDLMQMAGLQPAGVLCELTNPDGSMAKTPEIIEFGKLHNMPVLTIEDMVQYRIQF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4P8E.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 : 1089 -89079 -81.80 -454.48 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -81.80 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.645

(partial model without unconserved sides chains): PDB file : Tito_4P8E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P8E-query.scw PDB file : Tito_Scwrl_4P8E.pdb: