Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTALKNDRFLRALLKQPVDVTPVWMMRQAGRYLPEYRATRAKAGDFMSLCMNPELACEVTLQPLDRYPQLDAAILFSDILTIPDAMGQGLYFETGEGPRFRKVVSSLADIEALPVPDPEQDLGYVMDAVRTIRRELNGRVPLIGFSGSPWTLATYMVEGGSSKDFRKSKAMLYDNPKAMHALLDKLAQSVTSYLNGQIHAGAQAVQIFDSWGGSLSAAAYQEFSLAYMRKIVDGLIREHDGRRVPVILFTKGGGLWLESMAEVGAEALGLDWTCDIGSARARVGERVALQGNMDPSVLYANPAAIRAEVARILAAYGKGTGHVFNLGHGITPEVDPAHAGAFFEAVHELSAQYHG |
4WSH Chain:B ((11-363)) | --ALKNDRFLRALLKQPVDVTPVWMMRQAGRYLPEYRATRAKAGDFMSLCMNPELACEVTLQPLDRYPQLDAAILFSDILTIPDAMGQGLY------PRFRKVVSSLADIEALPVPDPEQDLGYVMDAVRTIRRELNGRVPLIGFSGSPWTLATYMVEGGSSKDFRKSKAMLYDNPKAMHALLDKLAQSVTSYLNGQIHAGAQAVQIFDSWGGSLSAAAYQEFSLAYMRKIVDGLIREHDGRRVPVILFTKGGGLWLESMAEVGAEALGLDWTCDIGSARARVGERVALQGNMDPSVLYANPAAIRAEVARILAAYGKGTGHVFNLGHGITPEVDPAHAGAFFEAVHELSAQYHG |
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General information:
TITO was launched using:
| RESULT:
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Template: 4WSH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -250593 for 3152 contacts (-79.5/contact) +
2D Compatibility (PS) -38333 + (NN) -19847 + (LL) 308
1D Compatibility (HY) -48400 + (ID) 17350
Total energy: -374215.0 ( -118.72 by residue)
QMean score : 0.595
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