Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDQQALNSIMQDLAVLHKASRPALSLQETRKAKSSSPKKQNDVRVKFEHRGEKRILQFPRPVKLEDLRSKAKIAFGQSMDLHYTNNELVIPLTTQDDLDKAVELLDRSIHMKSLKILLVINGSTQATNLEPLPSLEDLDNTVFGAERKKRLSIIGPTSRDRSSPPPGYIPDELHQVARNGSFTSINSEGEFIPESMDQMLDPLSLSSPENSGSGSCPSLDSPLDGESYPKSRMPRAQSYPDNHQEFSDYDNPIFEKFGKGGTYPRRYHVSYHHQEYNDGRKTFPRARRTQGTSLRSPVSFSPTDHSLSTSSGSSIFTPEYDDSRIRRRGSDIDNPTLTVMDISPPS-RSPRAPTNWRLGKLLGQGAFGRVYLCYDVDTGRELAVKQVQFDPDSPETSKEVNALECEIQLLKNLLHER-IVQYYGCL--RDP-QEKTLSIFMEYMPGGSIKDQLKAY--GALTENVTRKYTRQILEGVHYLHSNMIVHRDIKGANILRDSTGNVKLGDFGASKRLQTICLSGTGMKSVTGTPYWMSPEVISGE-----GYGRKADIWSVACTVVEMLTEKPPWAEFEAMAAIFKIATQPTNPKLPPHVSDYTRDFLKRIFVEAKL------RPSADELLRHMFVHYH |
| 4U45 Chain:A ((13-290)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DIDLSSLRDPAGI--FELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDV------TEDEEEEIKLEINMLKKYSHHRNIATYYGAFIKKSPP-DDQLWLVMEFCGAGSITDLVKNTKGNTLKEDWIAYISREILRGLAHLHIHHVIHRDIKGQNVLLTENAEVKLVDFGVSA--------NT----FIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDMHPMRALFLI---PRNP--PPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKHPFIRDQ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4U45.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -112877 for 2041 contacts (-55.3/contact) +
2D Compatibility (PS) -27000 + (NN) -19554 + (LL) 16000
1D Compatibility (HY) -21600 + (ID) 4950
Total energy: -169981.0 ( -83.28 by residue)
QMean score : 0.513
|
|
|