Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMAKENTQQKEIKRQPAVELAVFNLNSVTDVADLQMIASQVQLYLQVCGSTTLEQIKSKANITTVANIFALTGSVLDLMLYATDKKTGDAAVQRGALLAANLIGLFSEPNNEAHARMALRPMFGLMAECLYRENGKIKETDIKRLGLHFNAMIAGDLENFLKETQAKLSSLLISATTLGVTILQSMATPATGINAGITTAAGASAEKRDPKLKFTNWAVPLIDLLGKPSQANLTPKIQPNITSRLQQEATQAIAALSQTLQQQANAGQKYTLAWLLQETLKAIQALENKGNASVPVNQTGEYERHTKGDTLEFVSLQADALNAPPCEGADSQSGKSISYSIGAERVQHADFYLPKIGFSFIRQYNSQMDEFDQSMVGARWMMPFSNMIQRTAQGYLFIDSKGRKHQLPASIIFETYEVPYEGIIVQPLKNGDLVLNFGGDWTFQFHQFSVGQPYQLIQQFNEKTQEKIDLSYLIFEKVAYLQCVNFQLEHAKHQLKFAFNEQVKIMAVFLDDNAEPLAHYDYDTQGNLIKAIDQNGHTRTYEYNYFHQLTRYTDRTGRGQNIRYESTDAKAKAIEEWADDGSFHTKLKWHPRLRQVAVYDAYDVPTYYYFDLNGFTYRTRLAD-GRESWYSRDGKKR-ITRQIDFEGRETQQEYN-DQDQLVKIVQPNGGIIRFEYNEQGNLVEIK--DPE-GSIWKREY---DENRNVSKEINPLGH------ITQYKYNNDNQLVE------------------------VIDAKGGVKKIQYNELGQM----------------------ISYTD------CSGKSSIWEY-DEDGVLTAEQTAKNKVVQYFYSTKGRDKGQLQSIIYPDGLKEYFEHDEEGRLLKHIDTKGL----------VTEYKYNQVGLLEQRIDANR-HSVTYQWDKQGRIQKLINQNQAEYLFGYNPYGYLIREQAFDGEEKHYSYNENGRLFKIRQPNTLTEFDYYADGQIASKSFTHLHTGQKQTEQFDYNLNSQLSRASNEVSQIDFYRNALGQLVREHQHYKIPELKPLTAVLHYEYDELGNLIKTIRPDGHTLNHLVYGSGHIYAIGLNNQEVVSFQRDDLHRETTRLLANGLMQTKQYNDVGLLSSQFIQPEQETQDYLQYQAHRKYHYDKNYLLSQVEDSRLGKLNYQYDPIGRLIAAQSLHKTESFNFDPAGNLIDSDSVLSPAQIKNNLIKSYKGKHYQYDVQGNVTEIIQAGKNLKLTWDNQNRLIRSDNNGLVTEYGYDVFGRRLYKKTTNELTLFGWDGDLMIWESFKSAQTNYTKHYIYEPDSFVPLLQTGYKDLIQLIETPDYQEYQTKPYSIYKDPVWNSTTRKKRADLEQITFYHCDQVGIPQTMTNIRGECVWEILQDTWGAVSQIKALNQDNPFEQNNLRFQGQYYDQETELHYNRYRYYEPHSARYVSKDPIGLEGGMNTSSYVSDPNQWIDPKGLNSFNYGEMFGIPASAQSGLAYQGQRNYECYAETGELCKIKVPPLFDYVACSGGGLGIGVGFVKNQWTGEYYISGSKDSLLIPVAKSVAQNKQFSAKDLAGASCVGGNIHNIPSYTKTTMAMGEITNEFVSGASVTVGGGAYGAVANVVVPLVSKSSPVKGTWASELGVGTPGFNVGVSGTVSVDTILDAVKPSKK 4IGL Chain:A ((1134-1485)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ARQGYSEFGDYSQFWRPLSQRSTLLTGKTTLKWDKHYCVVIETQDAAQLVTQARYDYRFLTPYSLTDANDNQHYVVLNPFGEVIASRFWGTEAGKDAGYSTPQAKPFVVPATIEAALALSPGIPVAHCAIFEPESWMQKLTQHDVSERMADNGTLWNALLQARFVTEDGYVCALGRRRWMARHGLSVLMLTLLAEIPRTPPHSLTITTDRYDSDDQQQLRQRILFSDGFGRLLQSAQRVEAG-------------------------ESWQRSEDSSLVVNVSGTPALVVTDNRWAVSGRTEYDGKGQGIRVYQPYFLDDWRYLSDDSAR------TDLFADTHIYDPLGREYQVITAKGYRRERQYTPW------------FVVNQDENDTAAN----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IGL.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 : 1039 67445 64.91 247.05 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 64.91 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.241

(partial model without unconserved sides chains): PDB file : Tito_4IGL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IGL-query.scw PDB file : Tito_Scwrl_4IGL.pdb: