Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAYKAPLHDIRFLMNEVLDYPAHYKTLSNGESADPDTVDMILEGAADYCENVLSPLNQSGDEEGCHFDNGEVKTPKGFKEAYDQFVMGGWQGLSYPEEFGGQGLPMSLNLIKSEMMGTANWSFTMYPGLSSGCMNTILQFGTDEQKQTYMPKLVEGTWSGTMCLTEPQCGTDLGQVKTKAEPQADGTYKISGTKIFIS-AGEHDLTENIIHIVLARLPDAPAGTRGISLFIVPKFIPTAEGGVGERNTVSCGSIEHKMGIRASATAVLNFDNA---TGYLIGEVNKGLHAMFTFMNTARIGTAVQGIAHAELSFQGALPYAKERMSMRALSGKKDPDKVADAIIHHADVRRMLLTQKAIAEGGRSMIYYAAQLADKMTDALTRGDQAAFEDYDDKLGFYTPILKGFLTELGLEAANHGMQVYGGHGYIKEWGMEQIVRDARISTLYEGTTGVQALDLIGRKVLLSSKGKVVREYTAEILKFCAAHARNKYLRRFAWDLTKLCAQWNTLTVRIMLAARKDRDIVSSASVDFLMFSGYVMMAYFWAQQAVVASEKLEAGNGQETPEFYKAKIKVADFYFDRLLPRAQGHAESMVTTSRTLTSLPAEHFSFDY 3NF4 Chain:A ((23-379)) -----------------------------------------LIELTREIADKVLDPIVDRHEKDETY--------PEGV---FEQLGAAGLLSLPQPEEWGGGGQPYEVYLQVLEEIAARWASVAVAVSVHSLSSHPLLVFGTEEQKKRWLPGMLSGEQIGAYSLSEPQAGSDAAALRCAATP-TDGGYVINGSKSWITHGGKADF-----YTLFARTG-----SRGVSCFLVPADQP----------GLSFGKPEEKMGLHAVPTTSAFYDNARIDADRRIGEEGQGLQIAFSALDSGRLGIAAVATGLAQAALDEAVAYANE----------K--------IIDH-GL-GFLLADMAAAVATARATYL---------DAARRRDQG--RPYSQQ----ASIAKLTATDAAMKVTTDAVQVFGGVGYTRDYRVERYMREAKIMQIFEGTNQIQRL-----------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NF4.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 : 1839 -93903 -51.06 -272.97 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -51.06 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3NF4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NF4-query.scw PDB file : Tito_Scwrl_3NF4.pdb: