Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKITTSLFQEMVQAASTRLSKQAEYVNSLNVFPVPDGDTGTNMGMTMENGAKEVSDKPATTVGEVGQILSKGVLMGARGNSGVITSQLFRGFGQSIKDKEELTGQDLAHAFQNGVEVAYKAVMKPVEGTILTVSRGAATAALKKAEETDDAVEVMRATLKGAKRALAKTPEMLPVLKEVGVVDSGGQGLVFIYEGFLSALTGEYIASEDFKATPATMTEMVNAEHHKAVVGHVATEDIKYGYCTEVMVGLKQGPTYVKEFNYEEFQGYLSNLGDSLLVVNDDEIVKVHVHTEDPGLVMQEGLKYGSLVKVKVENMRNQHDAQMQKVEVEETVKETKEYGIIAVVAGDGLAEIFKSQGVDY----IISGG-------------------------QTMNPSTEDIVKAIEKVNARNVIILPNNKNI---FMAAQSAADVVD-----IPAAVVETRTV--PQGFTSLLA---FDPAKSLETNVADMTNSLSDVISGSVTLAVRDTTIDGLEIHE---------NDILGM-VDGKILVSTPDME--KALKDTFDKMIDE----DSEIVTIYVGEDGKQALAETLSEYLEETYEDVEVEIHQGDQPVYPYLMSVE |
3JR7 Chain:A ((18-284)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDMSYKVIVDSCGEFTPEMKADGGFEHVALGIQIEDTQWTDDDSLKQEELLLKIAESTSCAKTSCPSPERYMESYHC-DAERIYVVTLSAELSGSYNSAVLGKNLYEEEYGEKQIHVFNSRSASVGETLIALKVQQCEKAGMTFEEVVESVECYIEEQHT-YFVLENLDTLRKNGRLTGIKSAGALNIKPIMGSTPQGTICQKEKARGMKKALVKMADCVAADVVNAGDKILAIAHCNCE--ERAKEVQRLLKERFAVKSSFIVDTSGISTVYANDGG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3JR7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -56067 for 1522 contacts (-36.8/contact) +
2D Compatibility (PS) -22929 + (NN) -13147 + (LL) 23224
1D Compatibility (HY) -5600 + (ID) 1700
Total energy: -76219.0 ( -50.08 by residue)
QMean score : 0.469
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