Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MQSTANYLWHTDDLLGQGATASVYKARNKKSGELVAVKVFNTTSYLRPREVQVREFEVLRKLNHQNIVKLFAVEETGGSRQKVLVMEYCSSGSLLSV---LESPENAFGLPEDEFLVVLRCVVAGMNHLRENGIVHRDIKPGNIM-RLVGEEGQSIYKLTDFG-AARELDDDEKFVSVYGTEEYLHPDMYERAVLRKPQQKAFGVTVDLWSIGVTLYHAATGSLPFIPFGGPRRNKEIMYRITTEKPAGAIAGAQRRENGPLEWSYTLPITCQLSLGLQSQLVPILANILEVEQAKCWGFDQFFAETSDILQRVVVHVFSLSQAVLHHIYIHAHNTIAIFQEAVHKQTSVAPRHQEYLFEGHLCVLEPSVSAQHIAHTTASSPLTLFSTAIPKGLAFRDPALDVPKFVPKVDLQADYNTAKGVLGAGYQALRLARALLDGQELMFRGLHWVMEVLQATCRRTLEVARTSLLYLSSSLGTERFSSVAGTPEIQELKAAAELRSRLRTLAEVLSRCSQNITETQESLSSLNRELVKSRDQVHEDRSIQQIQCCLDKMNFIYKQFKKSRMRPGLGYNEEQIHKLDKVNFSHLAKRLLQVFQEECVQKYQASLVTHGKRMRVVHETRNHLRLVGCSVAACNTEAQGVQESLSKLLEELSHQLLQDRAKGAQASPPPIAPYPSPTRKDLLLHMQELCEGMKLLASDLLDNNRIIERLNRVPAPPDV |
| 2J51 Chain:A ((38-234)) | -------FWEIIGELGDGAFGKVYKAQNKETSVLAAAKVIDTKSEEELEDYMV-EIDILASCDHPNIVKL--LDAFYYENNLWILIEFCAGGAVDAVMLELERP-----LTESQIQVVCKQTLDALNYLHDNKIIHRDLKAGNILFTLDGD-----IKLADFGVSAKNTRTIQRRDSFIGTPYWMAP---EVVMCETSKDRPYDYKADVWSLGITLIEMA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2J51.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -51063 for 1354 contacts (-37.7/contact) +
2D Compatibility (PS) -20340 + (NN) -8405 + (LL) 39752
1D Compatibility (HY) -17600 + (ID) 3400
Total energy: -61056.0 ( -45.09 by residue)
QMean score : 0.310
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