Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMAKENTQQKEIKRQPAVELAVFNLNSVTDVADLQMIASQVQLYLQVCGSTTLEQIKSKANITTVANIFALTGSVLDLMLYATDKKTGDAAVQRGALLAANLIGLFSEPNNEAHARMALRPMFGLMAECLYRENGKIKETDIKRLGLHFNAMIAGDLENFLKETQAKLSSLLISATTLGVTILQSMATPATGINAGITTAAGASAEKRDPKLKFTNWAVPLIDLLGKPSQANLTPKIQPNITSRLQQEATQAIAALSQTLQQQANAGQKYTLAWLLQETLKAIQALENKGNASVPVNQTGEYERHTKGDTLEFVSLQADALNAPPCEGADSQSGKSISYSIGAERVQHADFYLPKIGFSFIRQYNSQMDEFDQSMVGARWMMPFSNMIQRTAQGYLFIDSKGRKHQLPASIIFETYEVPYEGIIVQPLKNGDLVLNFGGDWTFQFHQFSVGQPYQLIQQFNEKTQEKIDLSYLIFEKVAYLQCVNFQLEHAKHQLKFAFNEQVKIMAVFLDDNAEPLAHYDYDTQGNLIKAIDQNGHTRTYEYNYFHQLTRYTDRTGRGQNIRYESTDAKAKAIEEWADDGSFHTKLKWHPRLRQVAVYDAYDVPTYYYFDLNGFTYRTRLADGRESWYSRDGKKRITRQIDFEGRETQQEYNDQDQLVKIVQPNGGIIRFEYNEQGNLVEIKDPEGSI-WKREYDENRNVSKEINPLGHITQYKYN---NDNQLVEVIDAKGG-----VKKIQYNELGQMISYTDCSGKSSIWEYDEDGVLTAEQTAKNKVVQYFYSTKGRDKGQLQSIIYPDGLK---EYFEHDEEGRLLKHIDTKGL----VTEYKYNQVGLLEQRIDANRHSVTYQWDKQGRIQKLINQNQ------AEYLFGYNPYGYLIREQAFDGEEKHYSYNEN-GRLFKIRQPN-----------TLTEFDYYADGQIASKSFTHLHTGQKQTEQFDYNLNSQLSRASNEVSQI--DFYRNALGQLVREHQHYKIPELKPLTAVLHYEYDELGNLIKTIRPDGH-TLNHLVYGSGHIYAIGLNNQEVVSFQRDDLHRETT--RLLANGLMQTKQYNDVGLLSSQFIQPEQETQDYLQYQAHRKYHYDKNYLLSQVEDS-----RLGKLNYQYDPIGRLIAAQSLHK------TESFNFDPAGNLIDSDSVLSPAQIKNNL-IKS-YKGKHYQYDVQGNVTEIIQAGKNLKLTWDNQNRLIRSDNN--GLVTEYGYDVFGRRLYKKTTNELTLFGWDGDLMIWESFKSAQTNYTKHYIYEPDSFVPLLQTGYKDLIQLIETPDYQEYQTKPYSIYKDPVWNSTTRKKRADLEQITFYHCDQVGIPQTMTNIRGECVWEILQDTWGAVSQIKALNQDNPFEQNNLRFQGQYYDQETELHYNRYRYYEPHSARYVSKDPIGLEGGMNTSSYVSDPNQWIDPKGLNSFNYGEMFGIPASAQSGLAYQGQRNYECYAETGELCKIKVPPLFDYVACSGGGLGIGVGFVKNQWTGEYYISGSKDSLLIPVAKSVAQNKQFSAKDLAGASCVGGNIHNIPSYTKTTMAMGEITNEFVSGASVTVGGGAYGAVANVVVPLVSKSSPVKGTWASELGVGTPGFNVGVSGTVSVDTILDAVKPSKK 4IGL Chain:D ((41-620)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ITYHQFDFRGFLAQSLDPRLN-----HKEVTNFSYLTDLNGNIIYTQSVDAGNTLVLNDTEGRSVIAMTNISR--NGKDDLSLAVTRTFQYENAPLPGRPLSVTEQVNGENARITEHFVYAGNT-----------PQEKNLNLAGQCVSYYDAAGLIQTDSVS----LTGKPLSVSRKLLKNLDDTNILADWQGNDTSAWNSLLATEIYTTVTRTDAAGAVLTTIDAVGNQQRVAFDIAGQLSASWLTLKGGQEQVIIKVLTYSAAGQKLREEGGNGVVTTYTYEAETQRLIGIKTERPNGHAAGAKVLQDLRYEYDPVGNVLSITNDA------PENAYRYDSLYQLVSASGREVAGAGQQGSDLPSPLVPLPSD----SSVYTNYTRTYTYDSAGNLMRIRHSAPATNNNYTLN-----------------ITVSERSNRGVMSSLTENPADVDALFTASGSQKCLQ--------------QGQSLIWTPRGELRTVLLVARGETADDSESYRYDGSSQRILKISSQQTNHSARVQRALYLPGLEWRTMTG--AEAENLQVICIGEA--QVRVLHWESGKPDGII-NDQIRWSYDNLTCSSGLEVDGDGLVISMEEYYPYGGTAVWA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 D - contact count / total energy / energy per contact / energy per residue : 2262 133298 58.93 262.92 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain D : 0.54 3D Compatibility (PKB) : 58.93 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.215

(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: