Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQSTANYLWHTDDLLGQGATASVYKARNKKSGELVAVKVFNTTSYLRPREVQVREFEVLRKLNHQNIVKLFAVEETGGSRQKVLVMEYCSSGSLLSVLESPENAFGLPEDEFLVVLRCVVAGMNHLRENGIVHRDIKPGNIMRLVGEEGQSIYKLTDFGAARELDDDE---KFVSVYGTEEYLHPDMYERAVLRKPQQKAFGVTVDLWSIGVTLYHAATGSLPFIPFGGPRRNKEIMYRITTEKPAGAIAGAQRRENGPLEWSYTLPITCQLSLGLQSQLVPILANILEVEQAKCWGFDQFFAETSDILQRVVVHVFSLSQAVLHHIYIHAHNTIAIFQEAVHKQTSVAPRHQEYLFEGHLCVLEPSVSAQHIAHTTASSPLTLFSTAIPKGLAFRDPALDVPKFVPKVDLQADYNTAKGVLGAGYQALRLARALLDGQELMFRGLHWVMEVLQATCRRTLEVARTSLLYLSSSLGTERFSSVAGTPEIQELKAAAELRSRLRTLAEVLSRCSQNITETQESLSSLNRELVKSRDQVHEDRSIQQIQCCLDKMNFIYKQFKKSRMRPGLGYNEEQIHKLDKVNFSHLAKRLLQVFQEECVQKYQASLVTHGKRMRVVHETRNHLRLVGCSVAACNTEAQGVQESLSKLLEELSHQLLQDRAKGAQASPPPIAPYPSPTRKDLLLHMQELCEGMKLLASDLLDNNRIIERLNRVPAPPDV |
3TKI Chain:A ((9-258)) | --------WDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMK-------NIKKEICINKMLNHENVVKFYGHRREG--NIQYLFLEYCSGGELFDRIEP---DIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLL--LDERDN--LKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKR-------REFHAEPVDVWSCGIVLTAMLAGELPW---DQPSDSCQ-EYSDWKEKKTY-----------LNPW-----------KKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTS------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -120240 for 1859 contacts (-64.7/contact) +
2D Compatibility (PS) -25440 + (NN) -12523 + (LL) 36000
1D Compatibility (HY) -16400 + (ID) 3650
Total energy: -142253.0 ( -76.52 by residue)
QMean score : 0.413
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