Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSQALRIVFAGTPEFAAEHLKALLDTPHRIVAVYTQPDRPAGRGQKLMPSAVKSLALEHGLPVMQPQSLRN-----AEAQAELAALRADLMVVVAYGLILPQAVLDIPRLGCINSHASLLPRWRGAAPIQRAVEAGDAESGVTVMQMEAGLDTGPMLLKVSTPISAADTGGSLHDR-LAALGPKAVIEAIAGLAAGTLHGEIQDDALATYAHKLNKDEARLDWSRPAVELERQVRAFTPWPVCHTSLADAPLKVLGASLG------QGSGAPGTILEASRDGLLVACG-------EGALRLTRLQLPGGKPLAFADLYNSRREQFAAGQVLGQ |
| 1S3I Chain:A ((1-307)) | ----MKIAVIGQSLFGQEVYCQLRKEGHEVVGVFTIPDKDG----KADPDGLE--AEKDGVPVFKFPRWRARGQALPEVVAKYQALGAELNVLPFCSQFIPMEVINAPRHGSIIYHPSLLPRHRGASAINWTLIHGDKKGGFTIFWADDGLDTGDLLLQKECEVLPDDTVSTLYNRFLFPEGIKGMVQAVRLIAEGTAPRCPQSEEGATYEGIQKKETAKINWDQPAEAIHNWIRGNDKVPGAWTEACGQKLTFFNSTLNTSGLSTQGEALP--IPGAHRPGVVTKAGLILFGNDDRMLLVKNIQLEDGKMMPASQFFK-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1S3I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181744 for 2307 contacts (-78.8/contact) +
2D Compatibility (PS) -30845 + (NN) -9997 + (LL) 1428
1D Compatibility (HY) -14400 + (ID) 4500
Total energy: -240058.0 ( -104.06 by residue)
QMean score : 0.475
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