Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------GCPYS---------VRRYDKEVK---WDIVEA-GKSHIRVIDGYPATISADQDCKLKIKGLARLK---YTIAPGDSSTIKPKRGCTAPRVT---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3GRS Chain:? ((18-478)) VASYDYLVIGGGSGGLASARRAAELGARAAVVESHKLGGTCVNVGCVPKKVMWNTAVHSEFMHDHADYGFPSCEGKFNWRVIKEKRDAYVSRLNAIYQNNLTKSHIEIIRGH-AAFTSDPKPTIEVSG-KKYTAPHILIATGGMPSTPHESQIPGASLGITSDGFFQLEELPGRSVIVGAGYIAVEMAGILSALGSKTSLMIRHDKVLRSFDSMISTNCTEELENAGVEVLKFSQVKEVKKTLSGLEVSMVTAVPGRLPVMTMIPDVDCLLWAIGRVPNTKDLSLNKLGIQTDDKGHIIVDEFQNTNVKGIYAVGDVCGKALLTPVAIAAGRKLAHRLFEYKEDSKLDYNNIPTVVFSHPPIGTVGLTEDEAIHKYGIENVKTYSTSFTPMYHAVTKRKTKCVMKMVCANKEEKVVGIHMQGLGCDEMLQGFAVAVKMGATKADFDNTVAIHPTSSEELVTLR

General information: TITO was launched using: RESULT: Template: 3GRS.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 : 164 16073 98.00 220.17 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 98.00 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_3GRS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GRS-query.scw PDB file : Tito_Scwrl_3GRS.pdb: