Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQNETASHGINFDALGRDRQSLDLASESVELEVPGLNLFYGAKQALFDVRMNIPKQRVTAFIGPSGCGKSTLLRCFNRMNDLVDGCRVEGEIRLDGHNIFAKGVDVAELRRRVGMVFQKPNPFPKSIYENVVYG------LRIQGINKKRVLDEAVEWALKGAALWEEVKDRLHESALGLSGGQQQRLVIARTIAVEPEVLLLDEPCSALDPISTLKIEELIYELKSKFTIVIVTHNMQQAARVSDYTAFMYMGKLIEFGDTDTLFTNPAKKQTEDYITGRYG |
4AYX Chain:A ((362-572)) | -----------------------------------------------DFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGT-----ISLDGHDI--RQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTV---VGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRTVLVIAHRL-STIKNANMVAVLDQGKITEYGKHEELLSKP-------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4AYX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -96305 for 1538 contacts (-62.6/contact) +
2D Compatibility (PS) -21633 + (NN) 328 + (LL) 4444
1D Compatibility (HY) -12800 + (ID) 3650
Total energy: -129616.0 ( -84.28 by residue)
QMean score : 0.436
|
|
|