Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKTEHHKMEYVFETIKAITKTNPKVEQIKDLPAIHYLGQSEQVIP----ILSGGGSGHEPAHFGYVGEGMLSAAISGPIFVPPCASDILETIRFINRGKGVFVIIKNFEADLEEFSQAIEQARQEGIPIKYIVSHDDISVETSNFKIRNRGVAGTVLLHKIIGQAALEGASLDELEQLGLSLTTSMATLGVASKSATILGQHQPVFDLEEGYISFGIGIHGEPGYRTMPFVSMEHLANELVNKLKMK------LR--------WQD----------GEAFILLINNLGGSSKMEELLFTNAVMEFLALDDLQLPFIKTGHLITSLDMAGLSVTLCRVKDSRWIDYLKHKTDARAW |
1OI3 Chain:B ((20-347)) | ---------DVLDEQLAGLAKAHPSLTLHQD-PV--YVTRADAPVAGKVALLSGGGSGHEPMHCGYIGQGMLSGACPGEIFTSPTPDKIFECAMQVDGGEGVLLIIKNYTGDILNFETATELLHDSGVKVTTVVIDDDVAVKDSLYTAGRRGVANTVLIEKLVGAAAERGDSLDACAELGRKLNNQGHSIGIALGAC-----------LADNEMEFGVGIHGEPGIDRRPFSSLDQTVDEMFDTLLVNGSYHRTLRFWDYQQGSWQEEQQTKQPLQSGDRVIALVNNLGATPLSELYGVYNRLTTRCQQAGLTIERNLIGAYCTSLDMTGFSITLLKVDDETLALWDAPVHTPALN |
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General information:
TITO was launched using:
| RESULT:
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Template: 1OI3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -174162 for 2559 contacts (-68.1/contact) +
2D Compatibility (PS) -32056 + (NN) -20124 + (LL) 1964
1D Compatibility (HY) -22800 + (ID) 5450
Total energy: -252628.0 ( -98.72 by residue)
QMean score : 0.546
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