Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGMQRSGTAIAASFYLKLQRIKPLMLVKPSFKKRLLLTTLLSLSATQIFASNNSEQIPIGKLPEWVIPESYDLDFKIDPAQKGYTGKTTIHLKLVQATDHIWIHGKSLTVKAVNITSAEGVKT---K-AKYEQASEVDGMSKIKFAKTLPAGQ-YQLVLDFNVAYDQQLDGIYKIEFE-----GKPYVMTQMEAISARQSFPSFDEPRFKTPFNIRLTIPSKYSGFANTQQTSEQAEKSGWKTLSFAQTKPLPTYLLALAVGPWQLQKGPDIGATSWRKQPIQLRGIAPDAKAEKMQHALSETPAILKTLEDYFAFGYPFDKLDLLAAPDFAAGAMENPGLITFRDYLMLLDKES-PVSFVQNSFNVNAHELAHQWFGDVVTMPWWDDLWLNESFATWMQSKITQKLHPEFNADL-ERITDTADAMKSDSLVSVRRIRQPILSNADIQTAFDGITYQKGAAVLNMFESYLGEEKFKQGVRNYINKHQYGNATANDLISALAEQSEQSE--RFAKAMKSFLDQPGVPLINTALQQEGNKVFLNVKQSRYLPVGSKGDARSLWGVPLCVRYEVPNAGSKVQCELVDQAEAKIELKGASLGSWYIPNADAAGYYQFSLPQKEFTRLTAATEKLSNT-EQLAYAYAISAAFN---HGDINLLAVVDAAKKFANSNSRQISTALFSQLSTIHRHVLKTE--AEREHFRKVLANLYLPKLNQLGYVSKTGESAEDSLWRSELVRFLALDIQVPEVRTQLLKQSDALFAQKQLNFAQVTPELLPTILAVRVQEKGQPAFDRLSGELQRVTQPTQRLAILTALGSANQEATRQQARQLILNP-LVKVGEVRTVVNSINNYGDEQGGLWSWFKVNHDAVFDRLGKF--SAGRFPAMFSGAACIQQQAAQLNDFFAPRTKELVGVERGLKQTKERIQLCESLVAKQDGSIVQQLKL 5MJ6 Chain:B ((9-873)) --------------------------------------------------------WAQIRLPTAVVPLRYELSLHPNLTSMTFRGSVTISVQALQVTWNIILHSTGHNISRVTFMSAVSSQEKQAEILEY----AYHGQIAIVAPEALLAGHNYTLKIEYSANISSSYYGFYGFSYTDESNEKKYFAATQFEPLAARSAFPCFDEPAFKATFIIKIIRDEQYTALSNMPKKSSVVLDDGLVQDEFSESVKMSTYLVAFIVGEMKNLSQDV--------NGTLVSIYAVPEKIGQVHYALETTVKLLEFFQNYFEIQYPLKKLDLVAIPDFEAGAMENWGLLTFREETLLYDSNTSSMADRKLVTKIIAHELAHQWFGNLVTMKWWNDLWLNEGFATFMEYFSLEKIFKELSSYEDFL-DARFKTMKKDSLNSSHPISSSVQSSEQIEEMFDSLSYFKGSSLLLMLKTYLSEDVFQHAVVLYLHNHSYASIQSDDLWDSFNEVT--NQTLDVKRMMKTWTLQKGFPLVTVQKKGK----ELFIQQERFFLN------SYLWHIPLSYVTEGRNYSKYQSVSLLDKKSGVI--NLTEEVLWVKVNINMNGYYIVHYADDDWEALIHQLKINPYVLSDKDRANLINNIFELAGLGKVPLKRAFDLINYLGNENHTAPITEALFQTDLIYNLLEKLGYMDLASRLVTRVFKLLQNQIQQQTWTDEG--TPSMRELRSALLEFA-CTHNLGNCSTTAMKLFDDWMASN--GTQSLPTDVMTTVFKVGAKTD--KGWSFLLGKYISIGSEAEKNKILEALASSEDVRKLYWLMKSSLNGDNFRTQKLSFIIRTVGRHFPGHLLAWDFVKENWNKLVQKFPLGSYTIQNIVAGSTYLFSTKTHLSEVQAFFENQSE-ATFRLRCVQEALEVIQLNIQWMEKNLKSLTWWLRT

General information: TITO was launched using: RESULT: Template: 5MJ6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 4798 42669 8.89 51.28 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : 8.89 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_5MJ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MJ6-query.scw PDB file : Tito_Scwrl_5MJ6.pdb: