Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTDIQLNLIGRTQELFVEDIQHWNNKLIEIVSSSKFLVLGGAGSIGQAVVKEIFKRNPKKLHVVDISENNLTEVVRDIRSSFGYIDGDFQTFALDIGSAEYDAYIENDGDFDYVLNLSALKHVRSEKDPFTLMRMIHVNILNTEKTIQQSIAKGVKKYFCVSTDKAANPVNMMGGSKRIMEMFLMRQSQ-----YIDISTARFANVAFSDGSLLHGFNQRIQKNQPIAAP-NDIRRYFVTPKESGELCLMSCLLGENRDIFFPKLSEHLHLITFADIAVKYLNNLGYEPYLCESEDEARSLIQTLPKQGKWPCLFAGSTTTGEKDFEEFFTDNETLDMQRFNNLGVIKNELNIEEDKLQVFEEKINSMLLSKHWNKEEIVDLFNYMMPNFGHKETGLYLDGKM 4G5H Chain:A ((18-302)) --------------------------GSAMGFDDKILLITGGTGSFGNAVMKRFLDSNIKEIRIFSRDEKKQDDIRKKYNN------SKLKFYIGDVRDSQSVETAMR--DVDYVFHAAALKQVPSCEF--FPVEAVKTNIIGTENVLQSAIHQNVKKVICLSTDKAAYPINAMGISKAMMEKVFVAKSRNIRSEQTLICGTRYGNVMASRGSVIPLFIDKIKAGEPLTITDPDMTRFLMSLEDAVELVVHAFKHAETGDIMVQK-APSS---TVGDLATALLELFEAD----------------------NAIEIIGT-RHGEKKAETLLTREEYAQCEDMGDYFRV--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4G5H.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 : 1445 -43228 -29.92 -154.94 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -29.92 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_4G5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G5H-query.scw PDB file : Tito_Scwrl_4G5H.pdb: