Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGVGASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQ--IREMNPNYTEFKFPQIKAH-PWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLPPLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLTNSS |
3ZDU Chain:A ((5-289)) | ----------------------------------------------------------------------------------------------------------------------YETLGKVGEGSYGTVMKCKHKNTGQIVAIKIFY--NKIAMREIKFLKQFHHENLVNLIEVFRQK----KKI--HLVFEFIDHTVLD---ELQHYCHGLESKRLRKYLFQILRAIDYLHSNNIIHRDIKPENILVSQ-SGITKLCDFGFART----DIYDDEVATRWYRAPELVLKDTSYGKPVDIWALGCMIIEMATGNPYLPSSSDLDLLHKIVLKVGNLSPHLQNIFSKSPIFAGVVLPQVQHPKNARKK-YPKLNGLLADIVHACLQIDPADRISSSDLLHHEYFTR------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ZDU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162982 for 2146 contacts (-75.9/contact) +
2D Compatibility (PS) -28888 + (NN) -14407 + (LL) -1716
1D Compatibility (HY) -24400 + (ID) 3900
Total energy: -236293.0 ( -110.11 by residue)
QMean score : 0.604
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