Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDQQALNSIMQDLAVLHKASRPALSLQETRKAKSSSPKKQNDVRVKFEHRGEKRILQFPRPVKLEDLRSKAKIAFGQSMDLHYTNNELVIPLTTQDDLDKAVELLDRSIHMKSLKILLVINGSTQATNLEPLPSLEDLDNTVFGAERKKRLSIIGPTSRDRSSPPPGYIPDELHQVARNGSFTSINSEGEFIPESMDQMLDPLSLSSPENSGSGSCPSLDSPLDGESYPKSRMPRAQSYPDNHQEFSDYDNPIFEKFGKGGTYPRRYHVSYHHQEYNDGRKTFPRARRTQGTSLRSPVSFSPTDHSLSTSSGSSIFTPEYDDSRIRRRGSDIDNPTLTVMDISPPSRSPRAPTNWRLGKLLGQGAFGRVYLCYDVDTGRELAVKQVQFDPDSPETSKEVNALECEIQLLKNLLHERIVQYYGCLRDPQEKTLSIFMEYMPGGSIKDQLKA-YGALTEN--VTRKYTRQILEGVHYLHSNMIVHRDIKGANILRDS-TGNVKLGDFGASKRLQTICLSGTGMKSVTGTPYWMSPEVISG--EGYGRKADIWSVACTVVEMLTEKPPWAEF-EAMAAIFKIATQPTNPKLPPHVSDYTRDFLKRIFV-EAKLRPSADELLRHMFVHYH |
| 4BF2 Chain:A ((42-295)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLGKGTYGIVYAGRDLSNQVRIAIKEI------PE---------EEIALHKHLKHKNIVQYLGSFS--ENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLA---------EEFTGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIPESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLK-- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4BF2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -112146 for 1854 contacts (-60.5/contact) +
2D Compatibility (PS) -24458 + (NN) -11157 + (LL) 15860
1D Compatibility (HY) -20800 + (ID) 5150
Total energy: -157851.0 ( -85.14 by residue)
QMean score : 0.500
|
|
|