Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDATVLRKKGYIVGINLGKGSYAKVKSAYSERLKFNVAVKIIDRKKTPTDFVERFLPREMDILATVNHGSIIKTYEIFETSDGRIYIIMELGVQGDLLEFIKCQGALHEDVARKMFRQLSSAVKYCHDLDIVHRDLKCENLLL---DKDFNIKLSDFGFSKRCLRDSNGRIILSKTFCGSAAYAAPEVLQSIPYQPKVYDIWSLGVILYIMVCGSMPY---DDSDIRKMLRIQKEHRVDFPRSKNLTCECKDLIYRMLQPDVSQRLHIDEILSHSWLQPPKPKATSSASFKREGEGKYRAECKLDTKTGLRPDHRPDHKLGAKTQHRLLVVPENENRMEDRLAETSRAKDHHISGAEVGKAST |
| 2WEI Chain:A ((24-281)) | -----------YNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTIL-REVELLKKLDHPNIMKLFEILEDSSS-FYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLST-CFQQNTKM----KDRIGTAYYIAPEVLRG-TYDEKC-DVWSAGVILYILLSGTPPFYGKNEYDILKRVETGK-YAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQ------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2WEI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -183213 for 1989 contacts (-92.1/contact) +
2D Compatibility (PS) -27206 + (NN) -13561 + (LL) 5512
1D Compatibility (HY) -22000 + (ID) 4750
Total energy: -245218.0 ( -123.29 by residue)
QMean score : 0.374
|
|
|