Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGVGASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKN------RELQIMRKLDHCNIVRLRYFFYSSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLT-IPILYVKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSY---ICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQ---IREMNPNYTEFKFPQIKAHPWTKVFKSRTPP---EAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLPPLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLTNSS |
3S00 Chain:A ((12-297)) | ----------------------------------------------------------------------------------------------------------------------FQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENK------LYLVFEFLHQDL---KKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAI-KLADFGLARAF--GVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSM-PDYKP-SFPKWARQDFSKV----VPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL-------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3S00.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -193765 for 2057 contacts (-94.2/contact) +
2D Compatibility (PS) -28054 + (NN) -14206 + (LL) -1448
1D Compatibility (HY) -31200 + (ID) 5350
Total energy: -274023.0 ( -133.21 by residue)
QMean score : 0.631
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