Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VAKEYAQDTAVIKASLGIDKETGALNTPIHLSSTFHQHDFDNYHAYDYARSGNPTREKVEQAIAELEGGTNGFAFASGMAAVSAALFTLSKGDHFIIAKDVYGGTFRLVEQVLPRFGITHTFVDTTNIDEVAKAFQANTKLVYLETPSNPLLHVTDIRTVAKLAKANGCYTFVDNTFLTPLIQKPLELGADLVIHSATKFLGGHSDILAGLIVTNNPNLAEAVYFLQNSTGGVLGVQDSWLLLRGLKTLSVRMKAGTETAEKIALFLNAEPDVVAVHYPGLPSHAGYDIQVEQATSGGAVLSFDLGSEEAVRELVTHLELPVFSVSLGAVESILSYPAKMSHAAVPEEERLAQGITPGLLRFSAGLEDAEDLIADLKQALSFIKKGSVAK |
1IBJ Chain:A ((85-462)) | ----ASVSTLLVNLDNKFD-PFDAMSTPLYQTATFKQPSAIENGPYDYTRSGNPTRDALESLLAKLDKADRAFCFTSGMAALSAVTHLIKNGEEIVAGDDVYGGSDRLLSQVVPRSGVVVKRVNTTKLDEVAAAIGPQTKLVWLESPTNPRQQISDIRKISEMAHAQGALVLVDNSIMSPVLSRPLELGADIVMHSATKFIAGHSDVMAGVLAVKGEKLAKEVYFLQNSEGSGLAPFDCWLCLRGIKTMALRIEKQQENARKIAMYLSSHPRVKKVYYAGLPDHPGHHLHFSQAKGAGSVFSFITGSVALSKHLVETTKYFSIAVSFGSVKSLISMPCFMSHASIPAEVREARGLTEDLVRISAGIEDVDDLISDLDIAFKTF------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1IBJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -222098 for 3348 contacts (-66.3/contact) +
2D Compatibility (PS) -41667 + (NN) -24798 + (LL) 896
1D Compatibility (HY) -31600 + (ID) 8250
Total energy: -327517.0 ( -97.82 by residue)
QMean score : 0.479
|
|
|