Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGVGASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLAETRELVAIKKVLQDK--RFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIRE--MNPNYTEFKFPQIK-AHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLPPLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLTNSS |
4BGQ Chain:A ((14-302)) | ----------------------------------------------------------------------------------------------------------------------FEILGVVGEGAYGVVLKCRHKETHEIVAIKKFK---VKETTLRELKMLRTLKQENIVELKEAFRRR----G--KLYLVFEYVEKNMLEL---LEEMPNGVPPEKVKSYIYQLIKAIHWCHKNDIVHRDIKPENLLISH-NDVLKLCDFGFARNLSE---------TRWYRSPELLLG-APYGKSVDMWSVGCILGELSDGQPLFPGESEIDQLFTIQKVLGPLPSEQMKLFYSNPRFHGLRFPAVNHPQSLERRYLGILNSVLLDLMKNLLKLDPADRYLTEQCLNHPTFQTQR---------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4BGQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -172826 for 2036 contacts (-84.9/contact) +
2D Compatibility (PS) -28064 + (NN) -12079 + (LL) -2120
1D Compatibility (HY) -26800 + (ID) 5200
Total energy: -247089.0 ( -121.36 by residue)
QMean score : 0.358
|
|
|