Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDQQALNSIMQDLAVLHKASRPALSLQETRKAKSSSPKKQNDVRVKFEHRGEKRILQFPRPVKLEDLRSKAKIAFGQSMDLHYTNNELVIPLTTQDDLDKAVELLDRSIHMKSLKILLVINGSTQATNLEPLPSLEDLDNTVFGAERKKRLSIIGPTSRDRSSPPPGYIPDELHQVARNGSFTSINSEGEFIPESMDQMLDPLSLSSPENSGSGSCPSLDSPLDGESYPKSRMPRAQSYPDNHQEFSDYDNPIFEKFGKGGTYPRRYHVSYHHQEYNDGRKTFPRARRTQGTSLRSPVSFSPTDHSLSTSSGSSIFTPEYDDSRIRRRGSDIDNPTLTVMDISPPSRSPRAPTNWRLGKLLGQGAFGRVYLCYDVDTGRELAVKQVQFDPDSPE-TSKEVNALECEIQLLKNLLHERIVQYYGCLRDPQEKTLSIFMEYMPGGSIKDQLKA-YGALTEN--VTRKYTRQILEGVHYLHSNMIVHRDIKGANILRDS-TGNVKLGDFGASKRLQTICLSGTGMKSVTGTPYWMSPEVISG--EGYGRKADIWSVACTVVEMLTEKPPWAEF-EAMAAIFKIATQPTNPKLPPHVSDYTRDFLKRIFV-EAKLRPSADELLRHMFVHYH |
4BIE Chain:B ((26-279)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLGKGTYGIVYAGRDLSNQVRIAIKEI------PER-------LHEEIALHKHLKHKNIVQYLGSFS--ENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLA-----------FTGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIPESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLKVS |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BIE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -109425 for 1840 contacts (-59.5/contact) +
2D Compatibility (PS) -24480 + (NN) -10569 + (LL) 15480
1D Compatibility (HY) -21200 + (ID) 5200
Total energy: -155394.0 ( -84.45 by residue)
QMean score : 0.506
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