Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKTEHHKMEYVFETIKAITKTNPKVEQIKDLPAIHYLGQSEQVIPILSGGGSGHEPAHFGYVGEGMLSAAISGPIFVPPCASDILETIRFINRGKGVFVIIKNFEADLEEFSQAIEQARQEGIPIKYIVSHDDISVETSNFKIRNRGVAGTVLLHKIIGQAALEGASLDELEQLGLSLTTSMATLGVASKSATILGQHQPVFDLEEGYISFGIGIHGEPGYRTMPFVSMEHLANELVNKLKMKLRWQD--GEAFILLINNLGGSSKMEELLFTNAVMEFLALDDLQLPFIKTGHLITSLDMAGLSVTLCRVKDSRWIDYLKHKTDARAW |
2IU6 Chain:B ((13-328)) | -------------EMLKGIDLTYPQLTYLPETGILYDNTYNEKTVPIISGGGSGHEPAHVGYVGSGMLAAAVTGPLFIPPKSKNILKAIRQVNSGKGVFVIIKNFEADLKEFNEAIKEARTEGIDVRYIVSHDDISVNAYNFHKRHRGVAGTILLHKILGAFAKEGGSIDEIEQLALSLSPEIYTLGVA--LAPV------------DEVSFGIGIHGEPGYRVEKFEGSERIAIELVNKLKAEINWQKKANKNYILLVNGLGSTTLMELYSFQYDVMRLLELEGLSVKFCKVGNLMTSCDMSGISLTLCSVKDPKWLDYLNVPTGAFAW |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IU6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -199541 for 2678 contacts (-74.5/contact) +
2D Compatibility (PS) -33150 + (NN) -20059 + (LL) 2224
1D Compatibility (HY) -33200 + (ID) 8400
Total energy: -292126.0 ( -109.08 by residue)
QMean score : 0.554
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