Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKQVALVTGAAGGIGFEIAREFAREGASVIVSDLRPEACEKAASKLAEEGFDAAAIPYDVTKEAQVADTVNVIQKQYGRLDILVNNAGIQHVAPIEEFPTDTFEQLIKVMLTAPFIAMKHVFPIMKKQQFGRIINIASVNGLVGFAGKSAYNSAKHGVIGLTKVGALEGAPHGITVNALCPGYVDTQLVRNQLSDLSKTRNVPYDSVLEQVIFPLVPQKRLLSVKEIADYAVFLASEKAKGVTGQAVVLDGGYTAQ 2Q2Q Chain:H ((2-255)) LKGKTALVTGSTSGIGLGIAQVLARAGANIVLNGFGDPA--PALAEIARHGVKAVHHPADLSDVAQIEALFALAEREFGGVDILVNNAGIQHVAPVEQFPLESWDKIIALNLSAVFHGTRLALPGMRARNWGRIINIASVHGLVGSTGKAAYVAAKHGVVGLTKVVGLETATSNVTCNAICPGWVLTP---------------PLQA-QHDLLAEKQPSLAFVTPEHLGELVLFLCSEAGSQVRGAAWNVDGGWLAQ

General information: TITO was launched using: RESULT: Template: 2Q2Q.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1332 -154785 -116.20 -647.64 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain H : 0.83 3D Compatibility (PKB) : -116.20 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_2Q2Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Q2Q-query.scw PDB file : Tito_Scwrl_2Q2Q.pdb: