Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTDIQLNLIGRTQELFVEDIQHWNNKLIEIVSSSKFLVLGGAGSIGQAVVKEIFKRNPKKLHVVDISENNLTEVVRDIRSSFGYIDGDFQTFALDIGSAEYDAYIEND-GDFDYVLNLSALKHVRSEKDPFTLMRMIHVNILNTEKTIQQSIAKGVKKYFCVSTDKAANPVNMMGGSKRIMEMFLMRQSQYID-----ISTARFANVAFSDGSLLHGFNQRIQKNQPIAAPN-DIRRYFVTPKESGELCLMSCLLGENRDIFFPKLSEHLHLITFADIAVKYLNNLGYEPYLCESEDEARSLIQTLPKQGKWPCLFAGSTTTGEKDFEEFFTDNETLDMQRFNNLGVIKNELNIEEDKLQVFEEKINSMLLSKHWNKEEIVDLFNYMMPNFGHKETGLYLDGKM 3VVC Chain:A ((28-280)) ------------------------------------LLITGGTGSFGNAVMKRFLDSNIKEIRIFSRDEKKQD----DIRKKYNNSKLKFY-----IGDVRDSQSVETAMRDVDYVFHAAALKQVPSCE--FFPVEAVKTNIIGTENVLQSAIHQNVKKVICLSTDEAAYPINAMGISKAMMEKVFVAKSRNIRSEQTLICGTRYGNVMASRGSVIPLFIDKIKAGEPLTITDPDMTRFLMSLEDAVELVVHAFKHAETGDIMVQKAPSS----TVGDLATALL-------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VVC.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 : 1144 -34192 -29.89 -151.29 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -29.89 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_3VVC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VVC-query.scw PDB file : Tito_Scwrl_3VVC.pdb: