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 4S20 Chain:K ((9-968)) ------FTLGQRWISDTESELGLGTVVAVDARTVTLLFPSTGENRLYARSDSPVTRVMFNPGDTITSHDGWQMQVEEVKEENGLLTY--IGTRLDTEESGVALREVFLDSKLVFSKPQDRLFAGQIDRMDRFALRYRARKYSSEQFRMPYSGLRGQRTSLIPHQLNIAHDVGRRHAPRVLLADEVGLGKTIEAGMILHQQLLSGAAERVLIIVPETLQHQWLVEMLRRFNLRFALFDDERYAE-AQHDA-YNPFDTEQLVICSLDFARRSKQRLEHLCEAEWDLLVVDEAHHLVWSEDAPSRE-YQAIEQLAEHVPGVLLLTATPEQLGMESHFARLRLLDPNRFHDFAQFVEEQKNYCPVADAVAMLLAGNKLSNDELNMLGEMIGEQDIEPLLQAANSDSEDAQSARQELVSMLMDRHGTSRVLFRNTRNGVKGFPKRELHTIKLPLPTQYQTAIKVSGIMGARKSAEDRARDMLYPERIYQEFEGDNATWWNFDPRVEWLMGYLTSH-RSQKVLVICAKAATALQLEQVLREREGIRAAVFHEGMSIIERDRAAAWFAEEDTGAQVLLCSEIGSEGRNFQFASHMVMFDLPFNPDLLEQRIGRLDRIGQAHDIQIHVPYLEKTAQSVLVRWYHEGLDAFEHTCPTGRTIYDSVYNDLINYLASPDQTEGFDDLIKNCREQHEALKAQLEQGRDRLLEIHSNGGEKAQALAESIEEQDDDTNLIAFAMNLFDIIGINQDDRGDNMIVLTPSDHMLVPDFPGLSEDGITITFDREVALAREDAQFITWEHPLIRNGLDLILSGDTGSSTISLLKNKALPVGTLLVELIYVVEAQAPKQLQLNRFLPPTPVRMLLDKNGNNLAAQVEFETFNRQLNAVNRHTGSKLVNAVQQDVHAILQLGEAQIEKSARALIDAARNEADEKLSAELSRLEALRAVNPNIRDDELTAIESNRQQVMESLDQAGWRLDALRL------

General information: TITO was launched using: RESULT: Template: 4S20.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 4222 -59646 -14.13 -64.34 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain K : 0.83 3D Compatibility (PKB) : -14.13 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.356

(partial model without unconserved sides chains): PDB file : Tito_4S20.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S20-query.scw PDB file : Tito_Scwrl_4S20.pdb: