Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKLQQYAIGQRWLSDTETELGLGVLIDVDERSVSILFPKSDETRVYARNNAPLSRIIFNTNDEVQDQEGQKWIVESVEDRHGVLRYNVLRTLENGEQERKALNETRIGAQIQLSKPLDRLLASQIDYKEWYDLRIEAMLMQAQMQTSPLCGLVGARVGLIPHQLYIAHEVGKRFAPRVLLADEVGLGKTIEAGLIIHQQLKTGRS-----ERILILVPDSLQYQWMIEMRRRFNLQFSLFDL------TRTASIKEHDPELNPFLTEQCIIASVDLMVDHDDLREQALEVGFDLLVVDEAHHLMWSEEEGGNDRYDLVEELAE-NTAGVLLLTATPEQLGVESHFARLRLLDPQRFSSLERFLDEEAQYQQTAQVAEVLMSDEPLTQEHLTALEGLLGHSIEDQPEQRFRA---------------------IHELLDRHGTGRILF-----RNTREAIQGFPGRDCQPAPLPAPADWSKDG-KLREQMWPEEAQIDGSWMQNDPRVPWLMEILRKELKH--KKVLLIARSGPVVESLESALRLHAGIRTAMFHEGMSLLERDQAAAYFAEESYGAQILLC-SEIGSEGRNFQFASDLILFDLPANPDVLEQRIGRLDRIGQENRIQIHVPYLMGTAQERMFRWYNEALNIFSNISPTAQTLQENFIVELKDCLLADQGQTFEDLLEEVNVQRQALEAELQAGRDRLLEYNSCRPIVAQEIVQALEDYDDNTTLPMFVKRFMSSTNIDFDEQSNGTVIIRPTDQMQVQGLALDEEGMTATFYRDQAQMREDAQYLTLEHPFIESVMEMIRTQSFGSTNVAVLKSNALKQGSVLLEVWFKVDVVAPKSLNLPSSLPKQLIRVLLSENGQDLSEKIDPTILKPYLHHLDGNSCRQVVKARREVIEERYKQALDIAKEGLPQLQQQAKEHYGNKWQYEIDRLTYLKQFNPSIRQDEIERLQKLQKEGLSLLDGLTVTPEAIQVLVVVKP 1Z3I Chain:X ((1-644)) ------------------------------------LGLRRAGVRKALHDPFEDGALVLYEPPA--------------------------ISAHDLIKADKEKLPVHVVVDPVLSKVLR------------------------PHQREGVKFLWDCVTGRRIEN-----------SYGCIMADEMGLGKTLQCITLIWTLLKQSPDCKPEIDKVIVVSPSSLVRNWYNEVGKWLGGRVQPVAIDGGSKDEIDSKLVNFISQQGMRIPTPILIISYETFRLH---AEVLHKGKVGLVICDEGHRLK-------NSDNQTYLALNSMNAQRRVLISGTPIQNDLLEYFSLVHFVNSGILGTAQEFKKRFEIPILKGRDADASDKDRAAGEQKLQELISIVNRCLIRRTSDILSKYLPVKIEQVVCCNLTPLQKELYKLFLKQAKPVESLQTGKISVSSLSSITSLKKLCNHPALIYEKCLTGEEGFDGALDLFPQNYSTKAVEPQLSGKMLVLDYILAMTRTTTSDKVVLVSNYTQTLDLFEKLCRNR-RYLYVRLDGTMSIKKRAKIVERFNNPSSPEFIFMLSSKAGGCGLNLIGANRLVMFDPDWNPANDEQAMARVWRDGQKKTCYIYRLLSTGTIEEKILQRQAHKKALSSCVVDEEQDVERHFS---------------------------------LGELRELFSLNEKTLSDTHDRFRCRRCVNGRQVRP-------PPDDSDCTCDLSNWHHCADKRGLRDPVLQASWDAAVSFVFHQRSHEDQR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1Z3I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 3124 29925 9.58 49.71 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain X : 0.62 3D Compatibility (PKB) : 9.58 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_1Z3I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Z3I-query.scw PDB file : Tito_Scwrl_1Z3I.pdb: