Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | VAKRRKKPQEEHVDETWLIPYSDLLTLLLALFIVLFASSSVDAKKFEQMGNAFKKIVEEGAAGNQAYVSKEKGPDDPNVNAVLKAMEEQDKKKEANEQEKAKKAAAALLKKQNEEKIEAFKKQIDSYIAAENLGTKMTTKYSDEGLLITIRDDILFQS-GSAELSAGKREIAKEIGELFAQGKG--TMEGIVSGHTDNVPISTSIYSSNWELSVARAVNFMEAIIQENSEVNPGEFSARGYGEFRPVAKNDIAANREKNRRVEIMVRPINRDTLDEDE |
| 3CYP Chain:B ((122-239)) | --------------------------------------------------------------------------------------------------------------------------------------------------------PFTFENATSDAINQDMMLYIERIAKIIQKLPKRVH--INVRGFTDDTPL----FKSHYELAANRAYRVMKVLI--QYGVNPNQLSFSSYGSTNPIAPNDSLENRMKNNRVEIFFSTDANDLS---- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3CYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -3825 for 803 contacts (-4.8/contact) +
2D Compatibility (PS) -12280 + (NN) -9102 + (LL) 12672
1D Compatibility (HY) -6800 + (ID) 1700
Total energy: -21035.0 ( -26.20 by residue)
QMean score : 0.458
|
|
|