Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRKTEHHKMEYVFETIKAITKTNPKVEQIKDLPAIHYLG-QSEQVIPILSGGGSGHEPAHFGYVGEGMLSAAISGPIFVPPCASDILETIRFINRGKGVFVIIKNFEADLEEFSQAIEQARQEGIPIKYIVSHDDISVETSNFKIRNRGVAGTVLLHKIIGQAALEGASLDELEQLGLSLTTSMATLGVASKSATILGQHQPVFDLEEGYISFGIGIHGEPGYRTMPFVSMEHLANELVNKLK-------MKLRW-----------------QDGEAFILLINNLGGSSKMEELLFTNAVMEFLALDDLQLPFIKTGHLITSLDMAGLSVTLCRVKDSRWIDYLKHKTDARAW---- |
| 1OI2 Chain:A ((20-366)) | ---------DVLDEQLAGLAKAHPSLTLHQDPVYVTRADAPVAGKVALLSGGGSGHEPMHCGYIGQGMLSGACPGEIFTSPTPDKIFECAMQVDGGEGVLLIIKNYTGDILNFETATELLHDSGVKVTTVVIDDDVAVKDSLYTAGRRGVANTVLIEKLVGAAAERGDSLDACAELGRKLNNQGHSIGIALGAC-----------LADNEMEFGVGIHGEPGIDRRPFSSLDQTVDEMFDTLLVNGSYHRTLRFWDYQQGSWQEEQQTKQPLQSGDRVIALVNNLGATPLSELYGVYNRLTTRCQQAGLTIERNLIGAYCTSLDMTGFSITLLKV-DDETLALWDAPVHTPALNWGK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1OI2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186501 for 2822 contacts (-66.1/contact) +
2D Compatibility (PS) -33820 + (NN) -16148 + (LL) 1604
1D Compatibility (HY) -20800 + (ID) 5300
Total energy: -260965.0 ( -92.48 by residue)
QMean score : 0.556
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