Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIKFKNVTKRYGKHVAVDNISFNINEGEFFVLIGPSGCGKTTTLKMINRLIHLSEGYIYFKDKPISDYPVYEMRWDIGYVLQQIALFPHMTIKENIAQVPQMKKWKEKDIDKRVDELLDMVGLEPEKYKNRKPDELSGGQRQRVGVIRALAADPPVILMDEPFSALDPISREKLQDDLIELQTKIKKTIIFVTHDIQEAMKLGDKICLLNEGHIEQIDTPEGFKNNPQSEFVKQFMGSHLEDDAPCVEENAIIRDLDIMKPIDEVTSMSAYPIVYDNQPIEVLYQHLSESERVIVMQEDSVGQYVIDRKDIFKYLSQKKEVAQHD |
| 3PUZ Chain:B ((4-236)) | -VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAER--GVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEV--LQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGS--------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -135454 for 1850 contacts (-73.2/contact) +
2D Compatibility (PS) -25289 + (NN) -12093 + (LL) 7416
1D Compatibility (HY) -22800 + (ID) 4650
Total energy: -192870.0 ( -104.25 by residue)
QMean score : 0.582
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