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 4V1Y Chain:E ((21-452)) -------MQTLSIQHGTLVTM--DQYRRVLGDSWVHVQDGRIVALGVHAESVPPPADRVIDARGKVVLPGFINAHTHVNQILLRGGPSH----GRQFYDWLF---NV--VYPGQKAMRPEDVAVAVRLYCAEAVRSGITTINENADSAIYPG----NIEAAMAVYGEVGVRVVYARMFFDRMDGRIQGYVDALKARSPQVELCSIMEETAVAK-DRITALSD-QYHGTAGGRISVWPAPATTTAVTVEGMRWAQAFARDRAVMWTLHMAESDHDERIHGMSPAEYMECYGLLDERLQVAHCVYFDRKDVRLLHRHNVKVASQVVSNAYLGS-GVAPVPEMVERGMAVGIGTDNGNSNDSVNMIGDMKFMAHIHRAVHRDADVLTPEKILEMATIDGARSLGMDHEIGSIETGKRADLILLDLRHPQTTPHHHLAATIVFQAYGNEVDTVLIDGNVVM-

General information: TITO was launched using: RESULT: Template: 4V1Y.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 2225 -44181 -19.86 -115.35 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain E : 0.68 3D Compatibility (PKB) : -19.86 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_4V1Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4V1Y-query.scw PDB file : Tito_Scwrl_4V1Y.pdb: