Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MQSTANYLWHTDDLLGQGATASVYKAR---NKKSGELVAVKVFNTTSYLRPREVQVR-EFEVLRKLNHQNIVKLFAVEETGGSRQKVLVMEYCSSGSLLSVLESPENAFGLPEDEFLVVLRCVVAGMNHLRENGIVHRDIKPGNIMRLVGEEGQSIYKLTDFGAARELDDDEKFVSVYGTEEYLHPDMYERAVLRKPQQKAFGVTVDLWSIGVTLYHAATGSLPFIPFGGPRRNKEIMYRITTEKPAGAIAGAQRRENGPLEWSYTLPITCQLSLGLQSQLVPILANILEVEQAKCWGFDQFFAETSDILQRVVVHVFSLSQAVLHHIYIHAHNTIAIFQEAVHKQTSVAPRHQEYLFEGHLCVLEPSVSAQHIAHTTASSPLTLFSTAIPKGLAFRDPALDVPKFVPKVDLQADYNTAKGVLGAGYQALRLARALLDGQELMFRGLHWVMEVLQATCRRTLEVARTSLLYLSSSLGTERFSSVAGTPEIQELKAAAELRSRLRTLAEVLSRCSQNITETQESLSSLNRELVKSRDQVHEDRSIQQIQCCLDKMNFIYKQFKKSRMRPGLGYNEEQIHKLDKVNFSHLAKRLLQVFQEECVQKYQASLVTHGKRMRVVHETRNHLRLVGCSVAACNTEAQGVQESLSKLLEELSHQLLQDRAKGAQASPPPIAPYPSPTRKDLLLHMQELCEGMKLLASDLLDNNRIIERLNRVPAPPDV |
| 3A61 Chain:A ((24-230)) | -------------VLGKGGYGKVFQVRKVTGANTGKIFAMKVLK-------------AERNILEEVKHPFIVDLIYAFQTGG--KLYLILEYLSGGELFMQLER-EGIF--MEDTACFYLAEISMALGHLHQKGIIYRDLKPENIML----NHQGHVKLTDFG---------------GTIEYMAPEI----LMRSGHNRA----VDWWSLGALMYDMLTGAPPFT---GENRKKTI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A61.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -71302 for 1202 contacts (-59.3/contact) +
2D Compatibility (PS) -18997 + (NN) -13266 + (LL) 41848
1D Compatibility (HY) -17600 + (ID) 3500
Total energy: -82817.0 ( -68.90 by residue)
QMean score : 0.416
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