Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKKIKKEKIDNVGIHSFSKKADIFFSIISGLIALSCILPFVFVIIISVTDEKSLLQYGYSFFPSQFGLDGFEFLAQFKDKILQALFISVFVTVVGTLTNVFITTTYAYAISRTTFKYRRFFTIFVLLSMLFNAGLVPGYIMVTRVLQLGDTVWALIVPMLLSPFNIILMRSFFKKTIPEAILESARIDGASEARIFFQICLPLSLPGIATITLLTALGFWNDWFNALLYIKSDNLYPLQYLLMQIQQNMDYIAKAVGLTGQLGVALPKETGRMAMVVVATLPIAILYPFFQRYFVKGLTIGGVKE 4TQU Chain:N ((2-284)) ----------LATPFYSRSDRIFGIVNAVLLGIFALCALYPIIYIFSMSISSGAAVTQGRVFLLPVDIDFSAYGRVLHD-KLFWTSYANTIFYTVFGVVTSLIFIVPGAYALSKPRIRGRRVFGFIIAFTMWFNAGMIPFFLNMRD-LGLLDNRFGILIGFACNAFNIILMRNYFES-ISASFEEAARMDGANDLQILWKVYIPLAKPALATITLLCAISRWNGYFWAMVLLRAEEKIPLQVYLKKTIVDLNVNEEFAGALLTNS--YSMETVVGAIIVMSIIPVIIVYPVVQKYFTK---------

General information: TITO was launched using: RESULT: Template: 4TQU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain N - contact count / total energy / energy per contact / energy per residue : 952 -161192 -169.32 -569.58 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain N : 0.80 3D Compatibility (PKB) : -169.32 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.280

(partial model without unconserved sides chains): PDB file : Tito_4TQU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TQU-query.scw PDB file : Tito_Scwrl_4TQU.pdb: