Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTALTLGLIGNPNSGKTTLFNQLTGSRQRVGNWAGVTVERKEGAFHTVRHAVRLVDLPGTYSLTSVSAQASLDEQIACRYIASGEVDVLVNVVDAANLERNLYLTVQLREMGIPCIVALNMLDIARSQRIRIDIDGLARRLGCPVVPLVSTRADGIDELKAAIDSLQLPQAALAVDYPPAIQAQVGYLLETRAPAASAIEPRWLALQALEGDIFNGPALGLPPATLEQARRGCGEEPELAIVDARYRLIGEICAAVCDHQQAQPHRLTQWLDRVVLNRWLGLPIFLLVMYLMFFFAINIGGALQPIFDKGSSAIFIDGIQWLGIRFGLPDWLTVFLAQGIGGGVNTVLPLVPQIGLMYLFLSLLEDSGYMARAAFVMDRLMQALGLPGKSFVPLIVGFGCNVPSIMGARTLDAQRERLITIMMAPFMSCGARLAIFAVFAGAFFGQGGALVIFSLYLLGIVVAILTGLLLKHTLMRGEASPFVMELPLYHVPHLKSLLLQTWSRLRGFVVRAGKVIILVSLVIGGLNSITLDGKPVQGDIGHSALASVSQRLTPLLAPLGVQPDNWQATVGLVTGAMAKEVVVGTLNTLYTAEQIQGEAFDYEGYDLPGQLREALVETWDGLVDTFSLSVLANPVEASMADGDMETGSMGTMASKFGSPIAAYSYLVFVLLYVPCVTAMGAIARESSKGWMAFSVLWGLNVAYSLATLCYQVATFAAHPERSVLTIAVVLLFNLILMTCLRLFGREQVLQLPGRMADAPSGQGGCH |
2WJJ Chain:A ((7-160)) | -----IALIGNPNVGKSTIFNALTGENVYIGNWPGVTVEKKEGEFEYNGEKFKVVDLPGVYSLTA----NSIDEIIARDYIINEKPDLVVNIVDATALERNLYLTLQLMEMGANLLLALNKMDLAKSLGIEIDVDKLEKILGVKVVPLSAAKKMGIEELKKAI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WJJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -125297 for 1178 contacts (-106.4/contact) +
2D Compatibility (PS) -16605 + (NN) -5703 + (LL) 46972
1D Compatibility (HY) -18000 + (ID) 4250
Total energy: -122883.0 ( -104.31 by residue)
QMean score : 0.606
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