Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNILSRIFARTPSLRTRVVVATAIGAAIPVLIVGTVVWVGITNDRKERLDRRLDEAAGFAIPFVPRGLDEIPRSPNDQDALITVRRGNVIKSNSDITLPKLQDDYADTYVRGVRYRVRTVEIPGPEPTSVAVGATYDATVAETNNLHRRVLLICTFAIGAAAVFAWLLAAFAVRPFKQLAEQTRSIDAGDEAPRVEVHGASEAIEIAEAMRGMLQRIWNEQNRTKEALASARDFAAVSSHELRTPLTAMRTNLEVLSTLDL--PDDQRKEVLNDVIRTQSRIEATLSALERLAQGELST-SDDHVPVDITDLLDRAAHDAARIYP--DLDVSLVP--SPTCIIVGLPAGLRLAVDNAIANAVKHGGAT----LVQLSAVSSRAGVEIAIDDNGSGVPEGERQVVFERFSRGSTASHSGSGLGLALVAQQAQLHGGTASLENSPLGGARLVLRLPGPS |
2C2A Chain:A ((19-248)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKTEFIANISHELRTPLTAIKAYAETIYNSLGELDLSTLKEFLEVIIDQSNHLENLLNELLDFSRLERKSLQINREKVDLCDLVESAVNAIKEFASSHNVNVLFESNVPCPVEAYIDPTRIRQVLLNLLNNGVKYSKKDAPDKYVKVILDEKDGGVLIIVEDNGIGIPDHAKDRIFEQFYRVD------TGLGLAITKEIVELHGGRIWVESEVGKGSRFFVWIPKD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C2A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -68428 for 1460 contacts (-46.9/contact) +
2D Compatibility (PS) -22942 + (NN) -13647 + (LL) 17936
1D Compatibility (HY) -11600 + (ID) 2950
Total energy: -101631.0 ( -69.61 by residue)
QMean score : 0.541
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