Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFSEIFKFCISILWYFILTKNKGVVVMRAWKGIVLILSSIVVTLVAWQNAGLSEFVVPGLALTSLSLTFLLSTKFRILESYFQGIENMYFYHKVMAVFSMILLLLHKIGLGQGGHGSEFAKTIGSAGLYLFLSIVFVAYFGNFLKYEIWRFIHRFVYLVYILGLVHTFLILGDRILGNTLLSLIVLGYAVIGVISGFYIIFLYSRMRFRRVGYVQKVTHLNHDTTEIEIAMK---RPYRYDYGQFTFLKIYQAG-FESAAHPFSISGGHD-RVIFLTVKAS-------GDYTKSIYKQLKVGTKIALDRAYGHMLFDK-DKKEQVWIAGGIGITPFISFIRENSIL-TKRVDFFYTFSNQDNLIYQDMLESYAKANPNFKLHLNNSS------------LQGRLDFSQSV---FEGQPTIFMCGPTSMTSTYAKVFRQKD-AKSRLVYEGFSFRDSWLSIFLLKTFDKVYSNLIK |
1CQX Chain:A ((154-400)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRTYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1CQX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -118254 for 1618 contacts (-73.1/contact) +
2D Compatibility (PS) -23576 + (NN) -3558 + (LL) 21364
1D Compatibility (HY) -11200 + (ID) 2300
Total energy: -137524.0 ( -85.00 by residue)
QMean score : 0.598
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