Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSQPSENRLITSARYALCLLTASGVLLSGCASSGVGSVAQTTRAEYYPSCYEPVSHLRSTDNAVRNSAITGAITGGLLGGLAGGLASDENRGRNAALAAAGGALAGGAAGYYMEKQKQISDDRARIGSYGTDVDRSTVEINRSVAYAKSAQSCYQSQFKA-LLDGRKNKSINEAEGRKRLAEIVSGLQETNA-LLVAANGRAGENIS-NYTQAYEKDLQQVGVPRAEVTKVAEAENRASTTKGGSKPKTGSNPKVPKEAVATEQTIRKAQDAQSEGNKVASQGQGMIREVCNSPDMGDWAPPSCAKA |
| 3CYP Chain:B ((123-189)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------FTFENATSDA------INQDMMLYIERIAKIIQKLPKRVHINVRGFTDDTPLFKSHYELAANRAYRVMK----------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 5204 for 306 contacts (17.0/contact) +
2D Compatibility (PS) -6412 + (NN) -1497 + (LL) 12088
1D Compatibility (HY) 0 + (ID) 250
Total energy: 9133.0 ( 29.85 by residue)
QMean score : 0.210
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