Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKP--YPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP |
3NIZ Chain:A ((20-309)) | MEKYQKLEKVGEGTYGVVYKAKDS-QGRIVALKRIR------GIPSTAIREISLLKELHHPNIVSLIDVIHSERCLTLVFEFMEKDLKKVLDENKTGLQDSQIKIYLYQLLRGVAHCHQHRILHRDLKPQNLLINSDGALKLADFGLARAFGIPVR---HEVVTLWYRAPDVLMGSKKYSTSVDIWSIGCIFAEMIT-GKPLFPGVTDDDQLPKIFSILGTPNPREWPQVQELPLWKQRTFQVF-EKKPWSSIIPGFCQEGIDLLSNMLCFDPNKRISARDAMNHPYFKDLDP- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3NIZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -151756 for 2188 contacts (-69.4/contact) +
2D Compatibility (PS) -29401 + (NN) -12364 + (LL) 64
1D Compatibility (HY) -35200 + (ID) 8200
Total energy: -236857.0 ( -108.25 by residue)
QMean score : 0.539
|
|
|