Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKEESELARIKSSKAVVSKTIKEGKQGRKIPIWLMRQAGRSLPEYRRAVKDTSSFMEICYNTDLVVELTLQPVARF-SMDAAIIFSDILIVADVLGCDVDFIRGVGPTIKPV----KNFKELRNPQKIETKTLPILNAIRKVRDKLPEEKSLIGFAGGPWTVASYIIEGRSSKTFSK---VLNLHPSSLEQIIEQITEVTISYLVKQIEFGADVIQLFDSNAGVLSGELFEECVIKPTKKIVSAIKGKFPD--FPIIGFPKSAGSLYKDYCEKTGVSAVSIDYNVPIEWAKENL--KIPLQGNLNPSLLAYNKMEAIKETKRIIDCF-RDLPFIFNLGHGVLPNTPIENIAALVDLVKSQ |
| 4WSH Chain:A ((30-355)) | ------------------------------PVWMMRQAGRYLPEYRATRAKAGDFMSLCMNPELACEVTLQPLDRYPQLDAAILFSDILTIPDAMGQGLYFETGEGPRFRKVVSSLADIEALPVPDP-EQDLGYVMDAVRTIRRELNGRVPLIGFSGSPWTLATYMVEGGSSKDFRKSKAMLYDNPKAMHALLDKLAQSVTSYLNGQIHAGAQAVQIFDSWGGSLSAAAYQEFSLAYMRKIVDGLIREHDGRRVPVILFTK-GGGLWLESMAEVGAEALGLDWTCDIGSARARVGERVALQGNMDPSVLYANPAAIRAEVARILAAYGKGTGHVFNLGHGITPEVDPAHAGAFFEAVHEL |
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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) -227362 for 2696 contacts (-84.3/contact) +
2D Compatibility (PS) -33062 + (NN) -6699 + (LL) 2624
1D Compatibility (HY) -24400 + (ID) 5750
Total energy: -294649.0 ( -109.29 by residue)
QMean score : 0.575
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