Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELGKGKLLRTGLNALHQAVHPIHGLAWTDGNQVVLTDLRLHSGEVKFGDSKVIGQFECVCGLSWAPPVADDTPVLLAVQHEKHVTVWQLCPSPMESSKWLTSQTCEIRGSLPILPQGCVWHPKCAILTVLTAQDVSIFPNVHSDDSQVKADINTQGRIHCACWTQDGLRLVVAVGSSLHSYIWDSAQKTLHRCSSCLVFDVDSHVCSITATVDSQVAIATELPLDKICGLNASETFNIPPNSKDMTP-YALPVIGEVRSMDKEATDSETNSEVSVSSSYLEPLDLTHIHFNQHKSEGNSLI-CLRKKDYLTGTGQDSSHLVLVTFKKAVTMTRKVTIPGILVPDLIAF--NLKAHVVAVASNTCNIILIYSVIPSSVPNIQQIRLENTERPKGICFLTDQLLLILVGKQKLTDTTFLPSSKSDQYAISLIVREIMLEEEPSITSGESQTTYSTFSAP------LNKANRKKLIESLSPDFCHQNKGLLLTVNTSSQNGRPGRTLIKEIQSPLSSICDGSIALDAEPVTQPASLPRHSSTPDHTSTLEPPRL-PQRKNLQSEKETYQLSKEVEILSRNLVEMQRCLSELTNRLHNGKKSSSVYPLSQDLPYVHIIYQKPYYLGPVVEKRAVLLCDGKLRLSTVQQTFGLSLIEMLHDSHWILLSADSEGFIPLTFTATQEIIIRDGSLSRSDVFRDSFSHSPGAVSSLKVFTGLAAPSLDTTGCCNHVDGMA 2BMF Chain:A ((169-618)) -----------------------------------------------------------------MASIEDNPEIEDDIFRKKRLTIMDLHPGAGKTKRYLPAIVREAIKR----------GLRTLILAP---------------TRVVAAEMEEALRGLPIRYQTGREIVDLMCHATFTMRLLSPIRVPNYN----LIIMDEAHF-TDPASIAARGYISTRVEMGEAAGIFMTAT---PPGSRDPFPQSNAPIMDEEREIPERSWNS--------GHEWVTDFKGKTVWFVPSIKAGNDIAACLRKN------GKKVIQLSRKTFDSEYIKTRTNDWDFVVTTDISEMGANFKAERV-IDPRRCMKPVILTDGEERVILAGPMPVTHSSAAQRRG---------RVGRN--------PKNENDQYIYM---GEPLENDEDCAHWKEAKMLLDNINTPEGIIPSMFEPEREK-VDAIDGEYRLRGEARKTFVDLMRRGDLP-VWLAYRVAAEGINYADRRWCFDG--VKNNQILEENVEVEIWTKEGERKKLKPRWLDARIYSDPLALKEFKEFAAGRK---------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BMF.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 : 2253 -14112 -6.26 -32.74 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -6.26 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.150

(partial model without unconserved sides chains): PDB file : Tito_2BMF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BMF-query.scw PDB file : Tito_Scwrl_2BMF.pdb: