Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVNPITHYIGSFIDEFALSGITDAVVCPGSRSTPLAVLCAAHPDISVHVQIDERSAGFFALGLAKAKQRPVLLICTSGTAAANFYPAVVEAHYSRVPIIVLTADRPHELREVGAP-QAINQHFLFGNFVKFFTDSALPEESPQMLRYIRTLASRAAGEAQKRPMGPVHVNVPLREPLMPDLSDEPFGRMRTGRHVSVKTGTQSVDRESLSDVAEMLAEAEKGMIVCGELHSDADKEN----IIALSKALQYPILADPLSN--------------LRNGVHDKSTVIDAYDSFLKDDELKRKLRPDVVIRFGPMPVSKPVFLWLKDDP--------TIQQIVIDEDGGWRDPT-QASAHMIHCNASVFAEEIMAGLTAATRSSEWLEKWQFVNGRFREHLQTISSEDVSFEGNLYRILQHLVPENSSLFVGNSMPIRDVDTFFEKQDRPFRIYSNRGANGIDGVVSSAMGV-CEGTKAPVTLVIGDLSFYHDLNGLLAAKKLGIPLTVILVNNDGGGIFSFLPQASEKTHFEDLFGTPTGLDFKHAAALYGGTYSCPASWDEFKTAYAPQADKPGLHLIEIKTDRQSRVQLHRDMLNEAVREVKKQWEL 4MQ5 Chain:A ((16-523)) --------------------GIDTVFGNPGSNELPF--LKDFPEDFRYILALQEACVVGIADGYAQASRKPAFINLHSAAGTGNAMGALSNAWNSHSPLIVTAGQQTRAMIGVEALLTNVDAANLPRPLVKWSYEPASAAEVPHAM-------SRAIHMASMAPQGPVYLSVPYDD---WDKDADPQSHHLFDRHVS---SSVRLNDQDLDILVKALNSASNPAIVLGP---DVDAANANADCVMLAERLKAPVWVAPSAPRCPFPTRHPCFRGLMPAGIAAISQLLEGH---------------DVVLVIG-----APVFRYHQYDPGQYLKPGTRLISVTCDPLEAFRAPMGDAIVADIGAMASALANLVEESSRQLPTAAPEPAKVDQDAGRL--HPETV-----------FDTLNDMAPENAIYL--NESTSTTAQMWQRLNMRNPGSYYFCAAGGLGFALPAAIGVQLAEPERQVIAVIGDGSANYSISALWTAAQYNIPTIFVIMNNGTYGALRWFAGVLEAENVPGL--DVPGIDFRALAKGYGVQALKADNLEQLKGSLQEALSAKGPVLIEVST--------------------------

General information: TITO was launched using: RESULT: Template: 4MQ5.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 : 2879 -65064 -22.60 -135.83 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -22.60 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_4MQ5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MQ5-query.scw PDB file : Tito_Scwrl_4MQ5.pdb: