Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKKIKKEKIDNVGIHSFSKKADIFFSIISGLIALSCILPFVFVIIISVTDEKSLLQYGYSFFPSQFGLDGFEFLAQFKDKILQALFISVFVTVVGTLTNVFITTTYAYAISRTTFKYRRFFTIFVLLSMLFNAGLVPGYIMVTRVLQLGDTVWALIVPMLLSPFNIILMRSFFKKTIPEAILESARIDGASEARIFFQICLPLSLPGIATITLLTALGFWNDWFNALLYIKSDNLYPLQYLLMQIQQNMDYIAKAVGLTGQLGVALPKETGRMAMVVVATLPIAILYPFFQRYFVKGLTIGGVKE 4XIG Chain:N ((11-291)) -------------------DRIFGIVNAVLLGIFALCALYPIIYIFSMSISSGAAVTQGRVFLLPVDIDFSAYGRVLHD-KLFWTSYANTIFYTVFGVVTSLIFIVPGAYALSKPRIRGRRVFGFIIAFTMWFNAGMIPFFLNMRDL-GLLDNRFGILIGFACNAFNIILMRNYF-ESISASFEEAARMDGANDLQILWKVYIPLAKPALATITLLCAISRWNGYFWAMVLLRAEEKIPLQVYLKKTIVDLN-VNEEFAGALLTNSYSME-TVVGAIIVMSIIPVIIVYPVVQKYFTKGVMLGGV--

General information: TITO was launched using: RESULT: Template: 4XIG.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 : 939 -161838 -172.35 -575.93 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain N : 0.82 3D Compatibility (PKB) : -172.35 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_4XIG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XIG-query.scw PDB file : Tito_Scwrl_4XIG.pdb: