Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGTSGFSRLRSLTPTPYPGTQGSPYRRHRFVGVNLPGAPPPSIDFSSIQRTVKEVYEVHEKLSEGTYGEVFKGVDKRTGAAVALKRIKMLSTHQGFPQTSLREVIALRHIQNQRERLEERLRNDAHHRGAVAITDPLAEVSQLCDVLLYDRQQRDIVLVFAYATASLAGLCRRQFAFTPSEMALLMKKLLIAVRKLHEMRIIHRDIKSDNVLVTSEGEVQLTDFGLC-SIAAPGSSRSGTHVWRTPSVITLAYRPPEMLLGSTAYDEKVDVWSLGCLLAQMFLLEPPFYRHRAQAQQQQQRAPERSAATELEQLSRITEILGPLPPVSVYHPDSCQHMRVLEQLEVQGRLAEAGRAAQPANWGRLQTIFEPSFLYQQFHGF--RGWFEAELGRSRHQPHRRPTQACMDVLCAALQLDPQQRPTAAELLRMPYFTTLDDAPLLGSYQRVLPVTPEREAEVRRGFMTKVQRCGDSHTQRRPHQ 2QKR Chain:A ((21-308)) -----------------------------------------------------EKY--LEKVGEG---VVYKAKDSQ--RIVALKRI----------STAIREISLLKEL---------------HHPNIVSLIDVIH--SE-CLTLVFEFMEKDLKKV----------LDENKTGLQDSQIKIYLYQLLRGVAHCHQHRILHRDLKPQNLLINSD-ALKLADFGLARAFGIP--VR----------VVTLWYRAPDVLMGSKKYSTSVDIWSIGCIFAEMITGKPLF-----------------PGVTDDDQLPKIFSILG---------------------------------TPNPREWPQVQEL--PLWKQRTFQVFEKKPWSSIIPGF---------CQEGIDLLSNMLCFDPNKRISARDAMNHPYFKDLD--------------------------------------------

General information: TITO was launched using: RESULT: Template: 2QKR.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 : 1263 -108471 -85.88 -414.01 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -85.88 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_2QKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QKR-query.scw PDB file : Tito_Scwrl_2QKR.pdb: