Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKTILLSALLAFSCAHALSDMDLIKKAKESQLEPMPMGKALKEYQIKKTRDVGIGAKNSEIMTSAQVELGKMLYFDPRISTSYLVSCNTCHNLGLGGVDLIPSAIGSQWKKNPHLLSSPTVYNSVFNDVQFWDGRVTHLNEQAQGPIQSSFEMGADPKVVVEKINSIPGYVKLFRKAY-GSKVKIDFKLIADSIAMFEATLITP-SRYDDFLRGNPKALSKAEKEGLDLFISKGCVACHNGINLGGTMQ-PFGV---VKPYKFANVGDFK-----GDKNGLVKVPTLRNITETMPYFHNGQFWDVKDAIKEMGSIQLGIEISDAEAKKIETFFEALKGKKPKIIYPELPVMTDKTPKPSF |
4AAO Chain:B ((44-338)) | ---------------------------------------------------------------SPSRVELGRMLFFDPRLSASHLISCNTCHNVGLGGTDILETS-------GPR--NSPTVLNAVYNIAQFWDGRAEDLAAQAKGPVQASVEMNNKPENLVATLKSIPGYPPLFRKAFPGQGDPVTFDNVAKAIEVFEATLVTPDAPFDKYLKGNRKAISSTAEQGLALFLDKGCAACHSGVNMGGTGYFPFGVRED---------GRYKVTSTAADKY-VFRSPSLRNVAITMPYFHSGKVWKLKDAVKIMGSAQLGISITDADADKIVTFLNTLTGAQPKVMHPVLPPNSDDTPRPVS |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AAO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -69858 for 2059 contacts (-33.9/contact) +
2D Compatibility (PS) -28973 + (NN) -16598 + (LL) 6496
1D Compatibility (HY) -25200 + (ID) 7150
Total energy: -141283.0 ( -68.62 by residue)
QMean score : 0.422
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