Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MNKALKALGVLTTFVMLIVLI---------------------------GGALVTKTGSGQGCGRQW---PLCHGRFFPELNPASIIEWSHRFASGISIILVLSLAFWSW-------RKITPIFRETTFLAIMSIIFLFL-----QALLG-ALAVVFGSNALIMALHFGISLISFASVLILTLLIFEADKSVRTLVKPLQIGKKMQFHMIGILIYSYIVVYTGAYVRHTESSLACPNVPLCSPLNNGLPTQFH--------EWVQMGHRAAALLLFVWIIVAAVHAITSYKDQKQIFWG----WISC---LIFIT--LQALSGIMIVYSELALGFALAHSFFIAC---LFGVLCYFLLLIARFRYESRQS------------------------ 4QUV Chain:A ((23-427)) FSWLVLMIALPPLVYYLWICVTYYQGELVFTSDAAAWRRFWSHVAPPTWHAAGLYAAWFLGQAALQVWAPGPTVQGMKLPD-GSRLDYRMNGIFSFLFTLAVVFGLVTMGWLDATVLYDQLGPLLTVVNIFTFVFAGFLYFWGPFYDYFMGTALNPRIGSLDLKLFCEARPGMIFWL-LMNLSMAAKQYELHGTVTVPMLLVVGFQSFYLIDYFIHEEAVLTTWDIKHEKFGWMLCWGDLVWLPFTYTLQAQYLVHHTHDLPVWGIIAIVALNLAGYAIFRGANIQKHHFRRDPNRIVWGKPAKYIKTKQGSLLLTSGWWGIARHMNYFGDLMIALSWCLPAAFGSPIPYFHIVYFTILLLHREKRDDAMCLAKYGEDWLQYRKKVPWRIVPKIY

General information: TITO was launched using: RESULT: Template: 4QUV.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 : 1155 -193137 -167.22 -635.32 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -167.22 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_4QUV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QUV-query.scw PDB file : Tito_Scwrl_4QUV.pdb: