Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEKDGLCRADQQYECVAEIGEGAYGKVFKARDLKNGGRFVALKRVRVQTGEEGMPLSTIREVAVLRHLETFEHPNVVRLFDVCTVSRTDRETKLTLVFEHVDQDLTTYLDKVPEPGVPTETIKDMMFQLLRGLDFLHSHRVVHRDLKPQNILVTSSGQIKLADFGLARIYSFQM-ALTSVVVTLWYRAPEVLLQSS-YATPVDLWSVGCIFAEMFRRKPLFRGSSDVDQLGKILDVIGLPGEEDWPRDVALP-RQAFHSKSAQPIEKFVTDIDELGKDLLLKCLTFNPAKRISAYSALSHPYFQDLERCKENLDSHLPPSQNTSELNTA |
1UA2 Chain:A ((13-299)) | -------------EKLDFLGEGQFATVYKARD-KNTNQIVAIKKI---------NRTALREIKLLQELS---HPNIIGLLDAFGH-----KSNISLVFDFMETDLEVIIKDN-SLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGCQLPRPN---------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1UA2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -151745 for 2199 contacts (-69.0/contact) +
2D Compatibility (PS) -28010 + (NN) -8507 + (LL) 2404
1D Compatibility (HY) -28000 + (ID) 5400
Total energy: -219258.0 ( -99.71 by residue)
QMean score : 0.641
|
|
|