Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRLKKTLHLSSLSLASLALSSAALAAAPVMLDQGKEWTESHRQDFYSRDQGSQVMPLPWLKALRQPDGTPFLADSLARYGYLPNPKAPAEGLPVGFTVAGTGARQMVGMTCSACHTRQIEVKGTAYRIDGGPAIVDFQAFLADLDRAVGPLTSDDAAFDAFAKPILGANPPPGARDALLAAVKEWYEPYHTLIERALPKDTWGPARLDAVSMIFNRLTGLDIGTAPPYLIPDNIKAADAPVRYPFLWNAARQNKTQWPGFAANGNDLLGLARNVGEVYGVFATFHPQKSKFHLLGMDYLKINSANFHGLGKLEDLIKKIGPPKWPWAVDKHLARKGALIFARKTDEGGCVECHGIRIKDLVLWDTPLRDVGSDSRQHAILDGQVQTGVMEGARMPFGQPLKATDGAFDVLAVAVAGSILQHFVPILGEKHDAKAAAVKPESVMTDETRQLLTAFQKPVRTQADPYPYESRVLQGIWAAAPYLHNGSVPTLEELLKPAAERVESFPVGSAYDVDKVGLAAQQTQFGSYVLKTTGCEQRDSGNSRCGHEYGTSLSAEEKRALLEYLKVL |
4AAL Chain:A ((247-309)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TGRYKVTSTAADKYVFRSPSLRNVAITMPYFHSGKVWKLKDAVKIMGSAQLGISITDA-DADKIVTFLNTLTGAQPKVMHPVLPPNSDDTPRPVSN-------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4AAL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -13049 for 340 contacts (-38.4/contact) +
2D Compatibility (PS) -6460 + (NN) -4178 + (LL) 28240
1D Compatibility (HY) -2000 + (ID) 950
Total energy: 1603.0 ( 4.71 by residue)
QMean score : 0.326
|
|
|