Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -MTALKNDRFLRALLKQPVDVTPVWMMRQAGRYLPEYRATRAKAGDFMSLCMNPELACEVTLQPLDRYPQLDAAILFSDILTIPDAMGQGLYFETGEGPRFRKVVSSLADIEALP-VPDPEQDLGYVMDAVRTIRRELNGRVPLIGFSGSPWTLATYMVEGGSSKDFRKSKAMLYDNPKAMHALLDKLAQSVTSYLNGQIHAGAQAVQIFDSWGGSLSAAAYQEFSLAYMRKIVDGLIREHD---GRRVPVILFTKGGGLWLESMAEVGAEALGLDWTCDIGSARARVGERVALQGNMDPSVLYANPAAIRAEVARILAAYGKGTGHVFNLGHGITPEVDPAHAGAFFEAVHELSAQYHG |
1URO Chain:A ((10-366)) | GFPELKNDTFLRAAWGEETDYTPVWCMRQAGRYLPEFRETRAA-QDFFSTCRSPEACCELTLQPLRRFP-LDAAIIFSDILVVPQALGMEVTMVPGKGPSFPEPLREEQDLERLRDPEVVASELGYVFQAITLTRQRLAGRVPLIGFAGAPWTLMTYMVEGGGSSTMAQAKRWLYQRPQASHQLLRILTDALVPYLVGQVVAGAQALQLFESHAGHLGPQLFNKFALPYIRDVAKQVKARLREAGLAPVPMIIFAKDGHFALEELAQAGYEVVGLDWTVAPKKARECVGKTVTLQGNLDPCALYASEEEIGQLVKQMLDDFGPH-RYIANLGHGLYPDMDPEHVGAFVDAVHKHSRLLRQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1URO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -236032 for 3167 contacts (-74.5/contact) +
2D Compatibility (PS) -38803 + (NN) -22290 + (LL) 316
1D Compatibility (HY) -33200 + (ID) 8350
Total energy: -338359.0 ( -106.84 by residue)
QMean score : 0.583
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