Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEHNGHDKLNGVLRGFLGDSFTLDGKEGGLNMSKMLEFIKKEKPKMN--------VLLMGATGVGKSSLINALFGKEITKTGVGKPITQHLEKYIDEEKGLILWDTKGIEDKDYHDTMQSIKKEMEDSFKTLDEKEAIDVAYLCVKETSSRVQERERELLSFAKHWNIPTIVVFTHTQAEAGDAFVQETKGIIDEEWGFKGFVRAYVRVNSVAFSFRGLKVPVEGLEELVDETKKCLSDAEKNKKRHFLSIQRVKIQERKQAMIEECKTIIHVASGAAGVAGLIPIPFSDALAIAPIQAGMIYKMNDAFGMDLDKSVGASLVAGLLGVTAVAQVGRTLVNGFLKFIPVVGSVAGGATAAVITEGIGFAYLKVLEKCFNDETGEVNLPGEVGMITSLFKENYLNLDTIKKLKP |
1PUI Chain:A ((11-198)) | -------------------------------------FVMSAPDIRHLPSDTGIEVAFAGRSNAGKSSALNTLTNQ-------------QLINLFEVADGKRLVDLPG-----YGEMKRKWQRALGEYLEK---RQSLQGLVVLMD-IRHPLKDLDQQMIEWAVDSNIAVLVLLTKADKLASGARKAQLNMVREAVLAFNGDVQVET------FS----SLKKQGVDKLRQKLDTWFS------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1PUI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -68918 for 1229 contacts (-56.1/contact) +
2D Compatibility (PS) -17584 + (NN) -6492 + (LL) 15652
1D Compatibility (HY) -8000 + (ID) 1500
Total energy: -86842.0 ( -70.66 by residue)
QMean score : 0.486
|
|
|