Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDQQALNSIMQDLAVLHKASRPALSLQETRKAKSSSPKKQNDVRVKFEHRGEKRILQFPRPVKLEDLRSKAKIAFGQSMDLHYTNNELVIPLTTQDDLDKAVELLDRSIHMKSLKILLVINGSTQATNLEPLPSLEDLDNTVFGAERKKRLSIIGPTSRDRSSPPPGYIPDELHQVARNGSFTSINSEGEFIPESMDQMLDPLSLSSPENSGSGSCPSLDSPLDGESYPKSRMPRAQSYPDNHQEFSDYDNPIFEKFGKGGTYPRRYHVSYHHQEYNDGRKTFPRARRTQGTSLRSPVSFSPTDHSLSTSSGSSIFTPEYDDSRIRRRGSDIDNPTLTVMDISPPSRSPRAPTNWRLGKLLGQGAFGRVYLCYDVDTGRELAVKQVQFDPDSPETSKEVNALECEIQLLKNLLHERIVQYYGCLRDPQEKTLSIFMEYMPGGSIKDQLKAYG----ALTENVTRKYTRQILEGVHYLHSNMIVHRDIKGANILRDSTGNVKLGDFGASKRLQTICLSGTGMKSVTGTPYWMSPEVISGEGYGRKADIWSVACTVVEMLTEKPPWAEFEAMAAIFKIATQPTNPKLPPHVSDYTRDFLKRIF-VEAKLRPSADELLRHMFVHYH |
2W5A Chain:A ((3-272)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSM---TEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRS-LHRDLKPANVFLDGKQNVKLGDFGLARIL------TSFAKTFVGTPYYMSPEQMNRM-YNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREG-KFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2W5A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -108520 for 1932 contacts (-56.2/contact) +
2D Compatibility (PS) -27345 + (NN) -16526 + (LL) 15048
1D Compatibility (HY) -19600 + (ID) 3950
Total energy: -160893.0 ( -83.28 by residue)
QMean score : 0.183
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