Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTDIQLNLIGRTQELFVEDIQHWNNKLIEIVSSSKFLVLGGAGSIGQAVVKEIFKRNPKKLHVVDISENNLTEVVRDIRSSFGYIDGDFQTFALDIGSAEYDAYIENDGDFDYVLNLSALKHVRSEKDPFTLMRMIHVNILNTEKTIQQSI-----AKGVKKYFCVSTDKAANPVNMMGGSKRIMEMFLMRQSQ---YIDISTARFANVAFSDGSLLHGFNQRIQKNQPIAAP-NDIRRYFVTPKESGELCLMSCLLGENRDIFFPKLSEHLHLITFADIAVKYLNNLGYEPYLCESEDEARSLIQTLPKQGKWPCLFAGSTTTGEKDFEEFFTDNETLDMQRFNNLGVIKNELNIEEDKLQVFEEKINSMLLSKHWNKEEIVDLFNYMMPNFGHKETGLYLDGKM 4TQG Chain:A ((2-290)) ------------------------------QINDKTIMIFGGSGSLGNRLIETYINNN--IIVNYSRDESKHWSME--LKYKS----DKLKNIIGDIRDFEKVQQSIMRINPDIIIIAAALKHIDRCEY--EINECLDTNIKGLQNVLKVTEINRSNLSNLKAVCFVSTDKACSPVNSYGMSKAICETLVVEKSKYIKDIKYVCVRYGNVLN------------------FTLTHTSMTRFIMTLDDSVKLIEYAIING-NSGEIVIPKLNSM---YIKDMIELFADKY--------------------------PIVITGL-RSGERMYESLINDTQSMKTVPKGDYYHILPTYD---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4TQG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1301 -46857 -36.02 -181.61 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -36.02 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_4TQG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TQG-query.scw PDB file : Tito_Scwrl_4TQG.pdb: