Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKITTSLFQEMVQAASTRLSKQAEYVNSLNVFPVPDGDTGTNMGMTMENGAKEVSDKPATTVGEVGQILSKGVLMGARGNSGVITSQLFRGFGQSIKDKEELTGQDLAHAFQNGVEVAYKAVMKPVEGTILTVSRGAATAALKKAEETDDAVEVMRATLKGAKRALAKTPEMLPVLKEVGVVDSGGQGLVFIYEGFLSALTGEYIASEDFKATPATMTEMVNAEHHKAVVGHVATEDIKYGYCTEVMVGLKQGPTYVKEFNYEEFQGYLSNLGDSLLVVNDDEIVKVHVHTEDPGLVMQEGLKYGSLVKVKVENMRNQHDAQMQKVEVEETVKETKEYGIIAVVAGDGLAEIFKSQGVDY----IISGG-------------------------QTMNPSTEDIVKAIEK-V--NARNVIILPNNKNI---FMAAQSAADVVD-IPAAVVETRTV--PQGFTSLLA---FDPAKSLETNVADMTNSLSDVISGSVTLAVRDTTIDGLEIHEND-----------ILGMV-DGKILVSTPDME--KALKDTFDKMIDE---DSEIVTIYVGEDGKQALAETLSEYLEETYEDVEVEIHQGDQPVYPYLMSVE |
3LUP Chain:A ((3-266)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AMKLALITDTSAYLPEAIENHEDVYVLDIPIIIDGKTYIEGQNLTLDQYYDKLAASKELPKTSQPSLAELDDLLCQLEKEGYTHVLGLFIAAGISGFWQNIQFLIEEHPNLTIAFPDTKITSAPQGNLVRNALMCSREGMDFDVIVNKIQSQIEKIEG-FIVVNDLNHLVKGGRLSNGSAIIGNLLSIKPVLHFNEEGKIVVYEKVRTEKKALKRLAEIVKEMTADGEYDIAIIHSRAQ--DKAEQLYNLLAKAGLKDDLEIVSFGGVIATHLGEGA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LUP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -73604 for 1426 contacts (-51.6/contact) +
2D Compatibility (PS) -22452 + (NN) -9028 + (LL) 23136
1D Compatibility (HY) -5200 + (ID) 1850
Total energy: -88998.0 ( -62.41 by residue)
QMean score : 0.291
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