Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDQQALNSIMQDLAVLHKASRPALSLQETRKAKSSSPKKQNDVRVKFEHRGEKRILQFPRPVKLEDLRSKAKIAFGQSMDLHYTNNELVIPLTTQDDLDKAVELLDRSIHMKSLKILLVINGSTQATNLEPLPSLEDLDNTVFGAERKKRLSIIGPTSRDRSSPPPGYIPDELHQVARNGSFTSINSEGEFIPESMDQMLDPLSLSSPENSGSGSCPSLDSPLDGESYPKSRMPRAQSYPDNHQEFSDYDNPIFEKFGKGGTYPRRYHVSYHHQEYNDGRKTFPRARRTQGTSLRSPVSFSPTDHSLSTSSGSSIFTPEYDDSRIRRRGSDIDNPTLTVMDISPPSRSPRAPTNWRLGKLLGQGAFGRVYLCYDVDTGRELAVKQVQFDPDSPETSKEVNALECEIQLLKNLLHERIVQYYGCLRDPQEKTLSIFMEYMPGGSIKDQLKAYGALTENVTRKYTRQILEGVHYLHSNMIVHRDIKGANILRDSTGNVKLGDFGASKRLQTICLSGTGMKSVTGTPYWMSPEVISGEGYGRKADIWSVACTVVEMLTEKPPWAEFEAMAAIFKIATQPTNPKLPPHV-SDYTRDFLKRIFVEA------KLRPSADELLRHMFVHYH |
4NZW Chain:B ((28-272)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IGKGSFGEVYKGIDNHTKEVVAIKII----DLEEAEDEIEDIQQEITVLSQCDSPYITRYFGSYL--KSTKLWIIMEYLGGGSALDLLKP-GPLEETYIATILREILKGLDYLHSERKIHRDIKAANVLLSEQGDVKLAAFGVAG-----------------TPFWMAPEVIKQ--YDFKADIWSLGITAIELAKGEPPNSDLHPMRVLFLI---PKNS--PPTLEGQHSKPF--KEFVEACLNKDPRFRPTAKELLKHKFITRY |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NZW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -107086 for 1687 contacts (-63.5/contact) +
2D Compatibility (PS) -23903 + (NN) -15865 + (LL) 16600
1D Compatibility (HY) -20000 + (ID) 4700
Total energy: -154954.0 ( -91.85 by residue)
QMean score : 0.470
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