Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKKIKKEKIDNVGIHSFSKKADIFFSIIS----GLIALSCILPFVFVIIISVTDEKSLLQYGYSFFPSQFGLDGFEFLAQFKDKILQALFI-SVFVTVVGTLTNVFITTTYAYAISRTTFKYRRFFTIFVLLSMLFNAGLVPGYIMVTRVLQLGDTVWALIVPMLLSPFNIILMRSFFKKTIPEAILESARIDGASEARIFFQICLPLSLPGIATITLLTALGFWNDWFNALLYIKSDNLYPLQYLLMQIQQNMDYIAKAVGLTGQLGVALPKETGRMAMVVVATLPIAILYPFFQRYFVKGLTIGGVKE 4XTC Chain:N ((6-288)) ------------------FYSRSDRIFGIVNAVLLGIFALCALYPIIYIFSMSISSGAAVTQGRVFLLPVDIDFSAYGRV--LHDKLFWTSYANTIFYTVFGVVTSLIFIVPGAYALSKPRIRGRRVFGFIIAFTMWFNAGMIP-FFLNMRDLGLLDNRFGILIGFACNAFNIILMRNYFE-SISASFEEAARMDGANDLQILWKVYIPLAKPALATITLLCAISRWNGYFWAMVLLRAEEKIPLQVYLKKTIVDLNVNEEFAG--ALLTNSYSMETVVGAIIVMSIIPVIIVYPVVQKYFTKGVML-----

General information: TITO was launched using: RESULT: Template: 4XTC.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 : 923 -97628 -105.77 -351.18 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain N : 0.82 3D Compatibility (PKB) : -105.77 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.318

(partial model without unconserved sides chains): PDB file : Tito_4XTC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XTC-query.scw PDB file : Tito_Scwrl_4XTC.pdb: