Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKLQQYAIGQRWLSDTETELGLGVLIDVDERSVSILFPKSDETRVYARNNAPLSRIIFNTNDEVQDQEGQKWIVESVEDRHGVLRYNVLRTLENGEQERKALNETRIGAQIQLSKPLDRLLASQIDYKEWYDLRIEAMLMQAQMQTSPLCGLVGARVGLIPHQLYIAHEVGKRFAPRVLLADEVGLGKTIEAGLIIHQQLKTGRSERILILVPDSLQYQWMIEMRRRFNLQFSLFDLTRTASIKEHDPELNPFLTEQCIIASVDLMVDHDDLREQALEVGFDLLVVDEAHHLMWSEEEGGNDRYDLVEELAENTAGVLLLTATPEQLGVESHFARLRLLDPQRFSSLERFLDEEAQYQQTAQVAEVLMSDEPLTQEHLTALEGLLGH------------SIEDQPEQRFRAIHELLDRHGTGRILFRNTREAIQGFPGRDCQPAPLPAPADW--------------SKDGKLREQMWPEEA--QIDG---SWMQNDPRVPWLMEILRKELKHKKVLLIARSGPVVESLESALRLHAGIRTAMFHEGMSLLERDQAAAYFAEESYGAQILLCSEIGSEGRNFQFASDLILFDLPANPDVLEQRIGRLDRIGQENRIQIHVPYLMGTAQERMFRWYNEALNIFSNISPTAQTLQENFIVELKDCLLA-DQGQTFEDLLEEVNVQRQALEAELQAGRDRLLEYNSCRPIVAQEIVQALEDYDDNTTLPMFVKRFMSSTNIDFDEQSNGTVIIRPTDQMQVQGL-ALDEEGMTATFYRDQAQMREDAQYLTLEHPFIESVMEMIRTQSFGSTNVAVLKSNALKQGSVLLEVWFKVDVVAPKSLNLPSSLPKQLIRVLLSENGQDLSEKIDPTILKPYLHHLDGNSCRQVVKARREVIEERYKQALDIAKEGLPQLQQQAKEHYGNKWQYEIDRLTYLKQFNPSIRQDEIERLQKLQKEGLSLLDGLTVTPEAIQVLVVVKP 3DMQ Chain:A ((3-962)) ------FTLGQRWISDTESELGLGTVVAVDARTVTLLFPSTGENRLYARSDSPVTRVMFNPGDTITSHDGWQMQVEEVKEENGLLTY--IGTRLDTEESGVALREVFLDSKLVFSKPQDRLFAGQIDRMDRFALRYRARKYSSEQFRMPYSGLRGQRTSLIPHQLNIAHDVGRRHAPRVLLADEVGLGKTIEAGMILHQQLLSGAAERVLIIVPETLQHQWLVEMLRRFNLRFALFDDERYAE-AQHDA-YNPFDTEQLVICSLDFARRSKQRLEHLCEAEWDLLVVDEAHHLVWSEDAPSRE-YQAIEQLAEHVPGVLLLTATPEQLGMESHFARLRLLDPNRFHDFAQFVEEQKNYCPVADAVAMLLAGNKLSNDELNMLGEMIGEQDIEPLLQAANSDSEDAQSARQELVSMLMDRHGTSRVLFRNTRNGVKGFPKRELHTIKLPLPTQYQTAIKVSGIMGARKSAEDRARDMLYPERIYQEFEGDNATWWNFDPRVEWLMGYLTSH-RSQKVLVICAKAATALQLEQVLREREGIRAAVFHEGMSIIERDRAAAWFAEEDTGAQVLLCSEIGSEGRNFQFASHMVMFDLPFNPDLLEQRIGRLDRIGQAHDIQIHVPYLEKTAQSVLVRWYHEGLDAFEHTCPTGRTIYDSVYNDLINYLASPDQTEGFDDLIKNCREQHEALKAQLEQGRDRLLEIHSNGGEKAQALAESIEEQDDDTNLIAFAMNLFDIIGINQDDRGDNMIVLTPSDHMLVPDFPGLSEDGITITFDREVALAREDAQFITWEHPLIRNGLDLILSGDTGSSTISLLKNKALPVGTLLVELIYVVEAQAPKQLQLNRFLPPTPVRMLLDKNGNNLAAQVEFETFNRQLNAVNRHTGSKLVNAVQQDVHAILQLGEAQIEKSARALIDAARNEADEKLSAELSRLEALRAVNPNIRDDELTAIESNRQQVMESLDQAGWRLDALRL------

General information: TITO was launched using: RESULT: Template: 3DMQ.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 : 4351 -55760 -12.82 -60.15 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -12.82 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_3DMQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DMQ-query.scw PDB file : Tito_Scwrl_3DMQ.pdb: