Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGPGWGPPRLDGFILTERLGSGTYATVYKAYAKKDTREVVAIKCVAKKSLNKASVENLLTEIEILKGIRHPHIVQLKDFQWD--SDNIYLIMEFCAGGDLSRFIHTR----RILPEKVARVFMQQLASALQFLHERNISHLDLKPQNILLSSLEKPHLKLADFGFAQHMSPWDE-KHVLRGSPLYMAPEMVCQRQYDARVDLWSMGVILYEALFGQPPFASRSFSELEEKIRSNRVIELPLRPLLSRDCRDLLQRLLERDPSRRISFQDFFAHPWVDLEHMPSGESLGRATALVVQAVKKDQEGDSAAALSLYCKALDFFVPALHYEVDAQRKEAIKAKVGQYVSRAEELKAIVSSSNQALLRQGTSARDLLREMARDKPRLLAALEVASAAMAKEEAAGGEQDALDLYQHSLGELLLLLAAEPPGRRRELLHTEVQNLMARAEYLKEQVKMRESRWEADTLDKEGLSESVRSSCTLQ |
2W5A Chain:A ((3-277)) | --------SRAEDYEVLYTIGTGSYGRCQKIRRKS-DGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRS-LHRDLKPANVFLDGK--QNVKLGDFGLARIL---TSFAKTFVGTPYYMSPEQMNRM-YNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPY--RYSDELNEIITRMLNLKDYHRPSVEEILENPLILEHHHHHH-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2W5A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176059 for 1985 contacts (-88.7/contact) +
2D Compatibility (PS) -27849 + (NN) -14979 + (LL) 16256
1D Compatibility (HY) -22400 + (ID) 4000
Total energy: -229031.0 ( -115.38 by residue)
QMean score : 0.555
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