Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKTEHHKMEYVFETIKAITKTNPKVEQIKDLPAIHYLGQSEQVIPILSGGGSGHEPAHFGYVGEGMLSAAISGPIFVPPCASDILETIRFINRGKGVFVIIKNFEADLEEFSQAIEQARQEGIPIKYIVSHDDISVETSNFKIRNRGVAGTVLLHKIIGQAALEGASLDELEQLGLSLTTSMATLGVASKSATILGQHQPVFDLEEGYISFGIGIHGEPGYRTMPFVSMEHLANELVNKLKMKLRWQD--GEAFILLINNLGGSSKMEELLFTNAVMEFLALDDLQLPFIKTGHLITSLDMAGLSVTLCRVKDSRWIDYLKHKTDARAW |
2IU6 Chain:A ((13-328)) | -------------EMLKGIDLTYPQLTYLPETGILYDNTYNEKTVPIISGGGSGHEPAHVGYVGSGMLAAAVTGPLFIPPKSKNILKAIRQVNSGKGVFVIIKNFEADLKEFNEAIKEARTEGIDVRYIVSHDDISVNAYNFHKRHRGVAGTILLHKILGAFAKEGGSIDEIEQLALSLSPEIYTLGVA--L----------------EVSFGIGIHGEPGYRVEKFEGSERIAIELVNKLKAEINWQKKANKNYILLVNGLGSTTLMELYSFQYDVMRLLELEGLSVKFCKVGNLMTSCDMSGISLTLCSVKDPKWLDYLNVPTGAFAW |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2IU6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -200035 for 2661 contacts (-75.2/contact) +
2D Compatibility (PS) -32830 + (NN) -21439 + (LL) 2452
1D Compatibility (HY) -32800 + (ID) 8350
Total energy: -293002.0 ( -110.11 by residue)
QMean score : 0.588
|
|
|