Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSFEDRLMKKLWRNCHIATMQNGQY-SYIEDAAIVTEGHLIHWIGKQQQLPADTYSETVDLNDAWVTPGFIDCHTHSVFGGNRSVEFEKRLQGVSYAEIAASGGGIASTVRATREASEEQLLNSALKRIRRMQQDGVTTIEIKSGYGLNYENERKMLRVIRQIGEKLPMTVKSTCLAAHALPPEYKD---Q---SDAYI---------EHICTEMLPKLHAEGLVD----AVD---AFCEHLAFSPAQVERVFKTAQSLGLPVKLHAEQLSSLG------GSSLAARYHA----LSADHLEYMTEDDVKAMAASGTVAVLLPGAFYLLRETQYPPIESLIKHGVRIALSSDLNPG---TSPALSLRLMLNMG--S--TLFRLTPEQALAGVTIHAAQALGLEQTHGSLEQGKVADFVAWDIEHPSE---------IVYWLGGDLPKRVVQHGQEVIF 4V1X Chain:F ((23-452)) ---------TLSIQHGTLVTM--DQYRRVLGDSWVHVQDGRIVALGVHAESVPPPADRVIDARGKVVLPGFINAHTHVNQILLRGGPSH----GRQFYDWLF---NV--VYPGQKAMRPEDVAVAVRLYCAEAVRSGITTINENADSAIYPG----NIEAAMAVYGEVGVRVVYARMFFDRMDGRIQGYVDALKARSPQVELCSIMEETAVAK-DRITALSD-QYHGTAGGRISVWPAPATTTAVTVEGMRWAQAFARDRAVMWTLHMAESDHDERIHGMSPAEYMECYGLLDERLQVAHCVYFDRKDVRLLHRHNVKVASQVVSNAYLGS-GVAPVPEMVERGMAVGIGTDNGNSNDSVNMIGDMKFMAHIHRAVHRDADVLTPEKILEMATIDGARSLGMDHEIGSIETGKRADLILLDLRHPQTTPHHHLAATIVFQAYGNEVDTVLIDGNVVM-

General information: TITO was launched using: RESULT: Template: 4V1X.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 : 2207 -43639 -19.77 -114.54 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain F : 0.68 3D Compatibility (PKB) : -19.77 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_4V1X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4V1X-query.scw PDB file : Tito_Scwrl_4V1X.pdb: