Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MSTSQGEMRGRLRSNASST---GILSSNTYAKHTLKCSLKPEAMELIRCRHLNIQTTHVKAIELVSFNEAKNRLITKKVIGKELFHALWNPTNLLGRLQGHRLQNPDTLVHRITEIGTWLRKYHNSSAGLTPESTDGSWLVTAFAQKIRGIRASKLIPEPNLKKIEQKYSTELQKLTTPDYLSFNNAFPCQVHGDFVLYNVLVDSQQNMHILDFS----------KTRISSNLEDVARFYSTLWAIAQTNRT---RRSLLRELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHL-EAQHRGRKTFSWNTNREMGQITRAGMKWIYQQI 1SM2 Chain:A ((1-263)) VIDPSELTFVQEIGSGQFGLVHLGYW--LNKDKVAIKT-IREGAMS-------------------------EEDFIEEAEVMMKLSHP-----KLV-QLYGVCLEQAPICL--VFE--------------FMEH---GC--LSDYLRTQRG-----LFAAETLLGMCLDVCEGMAYLEEACV----------IHRDLAARNCLVGENQVIKVSDFGPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRS-NSEVVEDISTGFRLYKP-RLAS----THVYQIMNHCWKERPEDRPAFS-RLLRQLAEIAESG--------

General information: TITO was launched using: RESULT: Template: 1SM2.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 : 1111 29023 26.12 127.85 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 26.12 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.187

(partial model without unconserved sides chains): PDB file : Tito_1SM2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1sm2-query.scw PDB file : Tito_Scwrl_1SM2.pdb: