Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MALAESEEEFFMGLIKAATSMVGGGL-ADQWLEVIEPDNMSDTTVMTKGVKVRKDDKRGSNRKG----TEDVLTDGTVVHVYPNMMMLLVDGGKIIDYTAEEGYYTIKNDA-APSMFNGTL--KEAIAETFDRFKFGGVT-----PQKQQVFYINLQEI--------KGIKFGTSAPLNYFDNFYNAELFLRAHGTYSIHVVDPIL------------FYTNAIPKNKTQVEINDINEQYLAEFLTALQSAINQMSADGQRISYVPSKSLELSKYMDTALDDSWRELRGMEIVSVAVASISYTDDSVKLINMRNEGAM--LGDPSVREGY---------VQGSIARGMEA------------AGKNEAGAMTGFMGVGMGMNANGSYLSQAAQNNQEQIKQQAEKQ----NQQTAQGNADTWTCPVCGTENSGKFCSNCGAAKPVENVQPKLQMRCSEC-NEIVDLSNGI----PKFCPNCGKPFKGIPVN-------------------------- 4LLG Chain:F ((6-612)) QSQLKLLVTRGKEQGYLTYAEVNDHLPEDIVDSDQIEDIIQMINDMGIQVMGRTTDPVRMYMREMGTVELLTREGEIDIAKRIEDGINQVQCSVAEYPEAITYLLEQYDRVEAEEARLSDLITGFVDDPELAREKFAELRAQYVVTRDTIKATAQEEILKLSEVFKQFRLVPKQFDYLVNSMRVMMDRVRTQERLIMKLCVEQCKMPKKNFITLFTGNETSDTWFNAAIAMNKPWSEKLHDVSEEVHRALQKLQQIEEETGLTIEQVKDI-NRRMSIGEAKARRAKKEMVEANLRLVISIAKKYTNRGLQFLDLIQEGNIGLMKAVDKFEYRRGYKFSTYATWWIRQAITRSIADQARTIRIPVHMIETINKLNRISRQMLQEMGREPTPEELAERMLMPEDKIRKVLKIAKEPISMETPIGDDEDSHLGDFIEDTTLELPLDSATTESLRAATHDVLAGLTAREAKVLRMRFGIDMNTDYTLEEVGKQFDVTRERIRQIEAKALRKLRHPSRSEVLRSFLD

General information: TITO was launched using: RESULT: Template: 4LLG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1318 78123 59.27 183.82 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain F : 0.65 3D Compatibility (PKB) : 59.27 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.108

(partial model without unconserved sides chains): PDB file : Tito_4LLG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LLG-query.scw PDB file : Tito_Scwrl_4LLG.pdb: