Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELGKGKLLRTGLNALHQAVHPIHGLAWTDGNQVVLTDLRLHSGEVKFGD----SKVIGQFECVCGLSWAPPVADDTPVLLAVQHEKHVTVWQLCPSPMESSKWLTSQTCEIRGSLPILPQGCVWHPKCAILTVLTAQDVSIFPNVHSDDSQVKADINTQGRIHCACWTQDGLRLVVAVGSSLHSYIWDSAQKTLHRCSSCLVFDVDSHVCSITATVDSQVAIATELPLDKICGLNASETFNIPPNSKDMTPYALPVIGEVRSMDKEATDSETNSEVSVSSSYLEPLDLTHIHFNQHKSEGNSLICLRKKDYLTGTGQDSSHLVLVTFKKAVTMTRKVTIPGILVPDLIAFNLKAHVVAVASNTCNIILIYSVIPSSVPNIQQIRLENTERPKGICFLTDQLLLILVGKQKLTDTTFLPSSKSDQYAISLIVREIMLEEEPSITSGESQTTYSTFSAPLNKANRKKLIESLSPDFCHQNKGLLLTVNTSSQNGRPGRTLIKEIQSPLSSICDGSIALDAEPVTQPASLPRHSSTPDHTSTLEPPRLPQRKNLQSEKETYQLSKEVEILSRNLVEMQRCLSELTNRLHNGKKSSSVYPLSQDLPYVHIIYQKPYYLGPVVEKRAVLLCDGKLRLSTVQQTFGLSLIEML--HDSHWILLSADSEGFIPLTFTATQEIIIRDGSLSRSDVFRDSFSHSPGAVSSLKVFTG--LAAPSLDTTGCCNHVDGMA 1NR0 Chain:A ((2-611)) SEFSQTALFPSLPRTARGTAVVL---GNTPAGDKIQYCNGTSVYTVPVGSLTDTEIYTEHSHQTTVAKTSP----SGYYCASGDVHGNVRIWDTTQTTHILKTTIPVFSGPVK-DISWDSESK------RIAAVGEGRERFGHVFLFDTGTSNGNLTGQARAMNSVDFKPSRPFRIISGSDDNTVAIFEGPPFKFKSTFGEH----TKFVHSVRYNPDGSLFAST---------------------GGDGTIVLYNG---------------------VDGTKTGVFEDDSLKNVAHSGSVFGLTWSPDGTKIASASADKTIKIWNVATL--KVEKTIPVGTRIEDQQLGIIWTKQALVSISAN-----------------GFINFVNPELGSIDQVRYGHNKAITALSSSADGKTLFSADAEGH------INSWDISTGISNRVFPDVHATMITGIKTTSKGD---LFTVSWD------DHLKVVPAGGSGVDSSKAVANKLSSQ------------PLGLAVSADGDIAVAACYKHIAIYSHGKLTEVPISYNSSCVALSNDKQFVAVGGQDSKVHVYKLSGA-----------SVSEVKTIVHPAEITSVAFSNNGAFLVATDQSRKVIPYSVANNFELAHTNSWTFHTAKVACVSWSPDNVRLATGSLDNSVIVWNMNKPSDHPIIIKGAHAMSSVNSVIWLNETTIVSAGQDSNIKFWNVPF--

General information: TITO was launched using: RESULT: Template: 1NR0.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 : 4091 121943 29.81 202.56 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 29.81 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.155

(partial model without unconserved sides chains): PDB file : Tito_1NR0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NR0-query.scw PDB file : Tito_Scwrl_1NR0.pdb: