Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKITTSLFQEMVQAASTRLSKQAEYVNSLNVFPVPDGDTGTNMGMTMENGAKEVSDKPATTVGEVGQILSKGVLMGARGNSGVITSQLFRGFGQSIKDKEELTGQDLAHAFQNGVEVAYKA-VMKPVEGTILTVSRGAATAALKKAEETDDAVEVMRATLKGAKRALAKTPEMLPVLK------E--VGVVDSGGQGLVFIYEGFLSALTGEYIASEDFKATPATMTEMVNAEHHKAVVGHVATEDIKYGYCTEVMVGLKQGPTYVKEFNYEEFQGYLSNLGDSLLVVNDDEIVKVHVHTEDPGLVMQEGLKYGSLVKVKVENMRNQHDAQMQKVEVEETVKETKEYGIIAVVAGDGLAEIFKSQGVDYIISGGQTMNPSTEDIVKAIEKVNARNVIILPNNKNIFMAAQSAADVVDIPAAVVETRTVPQGFTSLLAFDPAKSLETNVADMTNSLSDVISGSVTLAVRDTTIDGLEIHENDILGMVDGKILVSTPDMEKALKDTFDKMIDEDSEIVTIYVGEDGKQALAETLSEYLEETYEDVEVEIHQGDQPVYPYLMSVE |
3CR3 Chain:A ((2-192)) | ---LTIDTTIEWLGKFNEKIQENKAYLSELD-GPIGDGDHGANMARGMSETMKALEVSNFGNVSEIFKKVAMTLMSKVGGASGPLYGSAFLAMSKTAIE-----TLDTSELIYAGLEAIQKRGKAQVGEKTMVDIWSAFLNDLQTDSA-----------SKDNLEKVVKASAGLLATKGRASYLGERSIGHIDPGTQSSAYLFETLLEVVA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CR3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -42451 for 1566 contacts (-27.1/contact) +
2D Compatibility (PS) -18790 + (NN) -3302 + (LL) 26924
1D Compatibility (HY) -5200 + (ID) 1650
Total energy: -44469.0 ( -28.40 by residue)
QMean score : 0.390
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