Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHTHFLMPLALVSAMAAVQQAYAADDFVVRDIRVNGLVRLTPANVYTMLPINSGDRVNEPMIAEAIRTLYATGLFDDIKASKENDTLVFNVIERPIISKLEFKGNKLIPKEALEQGLKKMGIAEGEVFKKSALQTIETELEQQYTQQGRYDADVTVDTVARPNNRVELKINFNEGTPAKVFDINVIGNTVFKDSEIKQAFAVK-ESGWASVVTRNDRYAREKMAASLEALRAMYLNKGYINFNINNSQLNISEDKKHIFIEVAVDEGSQFKFGQTKFLGDALYKPEELQALKIYKDGDTYSQEKVNAVKQLLLRKYGNAGYYFADVNIVPQINNETGVVDLNYYVNPGQQVTVRRINFTGNSKTSDEVLRREMRQMEGALASNEKIDLSKVRLERTGFFKTVDIKPARIPNSPDQVDLNVNVEEQHSGTTTLAVGYSQSGGITFQAGLSQTNFMGTGNRVAIDLSRSETQDYYNLSVTDPYFTIDGVSRGYNVYYRKTKLNDDYNVNNYVTDSFGGSLSFGYPIDENQSLSASVG-VDNTKVTTGPYVSTYVRDYLLANGGKATGQDTYCPEDQLEKNVDPTTGVVTYTGKCLVDPIPYNNAFEGEFFTYSLNLGWSYNTLNRPIFPTSGMSHRVGLEIGLPGSDVDYQKVTYDTQAFFPIGSTG-FVLRGYGKLGYGN-----DLPFYKNFYAGGYGSVRGYDNSTLGPKYASVNLQ----------ETQKNDG------SPEEVGGNALLQFGTELVLPMPFKGD-WTRQVRPVLFAEGGQVFDTKCDINN-SAYGNKGMIINGQNITDVRKYCEDNYGFDLSNLRYSVGVGVTWITMIGPLSLSYAFPLNDKPGDETKEIQFEIGRTF 5AYW Chain:A ((24-808)) ---------------------------FVVKDIHFEGLQRVAVGAALLSMPVRTGDTVNDEDISNTIRALFATGNFEDVRVLRDGDTLLVQVKERPTIASITFSGNKSVKDDMLKQNLEASGVRVGESLDRTTIADIEKGLEDFYYSVGKYSASVKAVVTPLPRNRVDLKLVFQEGVSAEIQQINIVGNHAFTTDELISHFQLRDEVPWW--VG-DRKYQKQKLAGDLETLRSYYLDRGYARFNIDSTQVSLTPDKKGIYVTVNITEGDQYKLSGVEVSGNLAGHSAEIEQLTKIEPGELYNGTKVTKMEDDIKKLLGRYGYAYPRVQSMPEINDADKTVKLRVNVDAGNRFYVRKIRFEGNDTSKDAVLRREMRQMEGAWLGSDLVDQGKERLNRLGFFETVDTDTQRVPGSPDQVDVVYKVKERNTGSFNFGIGYGTESGVSFQAGVQQDNWLGTGYAVGINGTKNDYQTYAELSVTNPYFTVDGVSLGGRLFYNDFQA-DDADLSDYTNKSYGTDVTLGFPINEYNSLRAGLGYVHNSLSNMQPQVAMWRYLYSMGEHPSTSDQD---------------------------------NSFKTDDFTF--NYGWTYNKLDRGYFPTDGSRVNLTGKVTIPGSDNEYYKVTLDTATYVPIDDDHKWVVLGRTRWGYGDGLGGKEMPFYENFYAGGSSTVRGFQSNTIGPKAVYFPHQASNYDPDYDYECATQDGAKDLCKSDDAVGGNAMAVASLEFITPTPFISDKYANSVRTSFFWDMGTVWDTNWDSSQYSGYPDYS---------------------DPSNIRMSAGIALQWMSPLGPLVFSYAQPFKKYDGDKAEQFQFNIGK--

General information: TITO was launched using: RESULT: Template: 5AYW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3723 35630 9.57 47.07 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 9.57 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.385

(partial model without unconserved sides chains): PDB file : Tito_5AYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYW-query.scw PDB file : Tito_Scwrl_5AYW.pdb: