Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMMKYEAVIIGGGPVGFMLASELAIAGVGTCVIERLEKPVPHSKALTLHPRTLELLEMRGILERFVSKGSKIPTGHFSMLDTRLDFSGLDTSCPYTLLLPQSKTEKLLEDHARSLGTEVFRGAEALAVTQNGEAVQTIFKDRDGSVRTITSKFAVGADGAGSTVRKQAKIEFPGTDSTVTAALGDVVLLSPPPSGVLSLCTKEGGVM---------IVPLSPDRYRVVVISPYRTQTPKDVPVTEEELKADLLRICGTDFGLTDPSWMSRFGNAARQAKRYRDGRIFLAGDAAHIHFPAGGQGLNVGLQDAMNLGWKLAAAIKGSAPSWLLDSYHDERHPAAEGLLRNTEAQTKLIDFTQAGLHLRSMMSELLAFPDVNRYVAGQISALDVRYEADRTMPPNRLNGARLPDMKLILSDGNSERLYSFLQNGTFVLLSLRQE---ADDHIEVKGLRTVTAS--LAEPNEKLRNVHTILIRPDGHVAWAVDASAPDC-SEVIQKGISRWFSVTSRV 4K2X Chain:B ((21-519)) --MRYDVVIAGAGPTGLMLACELRLAGARTLVLERLAEPVDFSKALGVHARTVELLDMRGLGEGFQAEAPKLRGGNFASLGVPLDFSSFDTRHPYALFVPQVRTEELLTGRALELGAELRRGHAVTALEQDADGVTVSVTGPEGPYE-VECAYLVGCDGGGSTVRKLLGIDFPGQDPHMFAVIADARFREELPHG-------PYGVMRHDLRAWFAAFPLEPDVYRATVAFFDR-----RAPVTEEDVRAALTEVAGSDFGMHDVRWLSRLTDTSRQAERYRDGRVLLAGDACHIHLPAGGQGLNLGFQDAVNLGWKLGATIAGTAPPELLDTYEAERRPIAAGVLRNTRAQAVLIDPDPRYEGLRELMIELLHVPETNRYLAGLISALDVRYPMAGEHP---LLGRRVPDLPLVTEDG-TRQLSTYFHAARGVLLTLGCDQPLADEAAAWKDRVDLVAAEGVADPGSAVDGLTALLVRPDGYICW---TAAPETGTDGLTDALRTWFG-----

General information: TITO was launched using: RESULT: Template: 4K2X.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 : 2761 -266411 -96.49 -564.43 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -96.49 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_4K2X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K2X-query.scw PDB file : Tito_Scwrl_4K2X.pdb: