Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGVGASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKN-----RELQIMRKLDHCNIVRLRYFFYSSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLT-IPILYVKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQ---IREMNPNYTEFKFPQIKAHPWTKVFKSRTPP---EAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLPPLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLTNSS |
3RPY Chain:A ((12-297)) | ----------------------------------------------------------------------------------------------------------------------FQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR-------PSTAIREISLLKELNHPNIVKLLDVIHTENK------LYLVFEFLHQDL---KKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAI-KLADFGLA------------VVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSM-PDYKP-SFPKWARQDFSKV----VPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDV----------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RPY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191637 for 1946 contacts (-98.5/contact) +
2D Compatibility (PS) -26771 + (NN) -13330 + (LL) -804
1D Compatibility (HY) -31200 + (ID) 5200
Total energy: -268942.0 ( -138.20 by residue)
QMean score : 0.651
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