Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNFNKLKFGATIGIIGGGQLGKMMAQSAQKMGYKVVVLDPSEDCPCRYVAHEFIQAKYDDEKALNQLGQKCDVITYEFENISAQQLKLLCEKYNI--PQGYQAIQLLQDRLTEKETLKSAGTKVVPFISVKESTDIDKAIETLGYPFIVKTR-FGGYDGKGQVLINNEKDLQEGFKLIETSECVAEKYLNIKKEVSLTVTRGNNNQITFFPLQENEHRNQIL-FKTIVPARIDK-TAEAKEQVNKIIQSIHFIGTFTVEFFIDSNNQLYVNEIAPRPHNSGHYSIEACDYSQFDTHILAVTGQSLPNSIELLKPAVMMNLLGKDLDLLENEFNEHPEWHLHIYGKSGRKDSRKMGHMTVLTNDVNQTEQDMYAKFEGSN |
3ETH Chain:A ((1-340)) | --------MKQVCVLGNGQLGRMLRQAGEPLGIAVWPVGLDAEP-AAVP-------------------FQQSVITAEIERWPETALTRQ--LARHPAFVNRDVFPIIADRLTQKQLFDKLHLPTAPWQLLAERSEWPAVFDRLGELAIVKRRTG-GYDGRGQWRLRANETEQ--LPAECYGECIVEQGINFSGEVSLVGARGFDGSTVFYPLTHNLHQDGILRTSVAFPQANAQQQARAEEMLSAIMQELGYVGVMAMECFVTP-QGLLINELAPRVHNSGHWTQNGASISQFELHLRAITDLPLPQP-VVNNPSVMINLIGSDV---NYDWLKLPLVHLHWYDK-EVRPGRKVGHLNLTDSDTSRLTATLEALIPLLP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ETH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -80145 for 2752 contacts (-29.1/contact) +
2D Compatibility (PS) -37082 + (NN) -19307 + (LL) 2196
1D Compatibility (HY) -19600 + (ID) 4950
Total energy: -158888.0 ( -57.74 by residue)
QMean score : 0.447
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