Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTALTLGLIGNPNSGKTTLFNQLTGSRQRVGNWAGVTVERKEGAFHTVRHAVRLVDLPGTYSLTSVSAQASLDEQIACRYIASGEVDVLVNVVDAANLERNLYLTVQLREMGIPCIVALNMLDIARSQRIRIDIDGLARRLGCPVVPLVSTRADGIDELKAAIDSLQLPQAALAVDYPPAIQAQVGYLLETRAPAASAIEPRWLALQALEGDIFNGPALGLPPATLEQARRGCGEEPELAIVDARYRLIGEICAAVCDHQQAQPHRLTQWLDRVVLNRWLGLPIFLLVMYLMFFFAINIGGALQPIFDKGSSAIFIDGIQWLGIRFGLPDWLTVFLAQGIGGGVNTVLPLVPQIGLMYLFLSLLEDSGYMARAAFVMDRLMQALGLPGKSFVPLIVGFGCNVPSIMGARTLDAQRERLITIMMAPFMSCGARLAIFAVFAGAFFGQGGALVIFSLYLLGIVVAILTGLLLKHTLMRGEASPFVMELPLYHVPHLKSLLLQTWSRLRGFVVRAGKVIILVSLVIGGLNSITLDGKPVQGDIGHSALASVSQRLTPLLAPLGVQPDNWQATVGLVTGAMAKEVVVGTLNTLYTAEQIQGEAFDYEGYDLPGQLREALVETWDGLVDTFSLSVLANPVEASMADGDMETGSMGTMASKFGSPIAAYSYLVFVLLYVPCVTAMGAIARESSKGWMAFSVLWGLNVAYSLATLCYQVATFAAHPERSVLTIAVVLLFNLILMTCLRLFGREQVLQLPGRMADAPSGQGGCH |
2WJH Chain:B ((1-159)) | MKSYEIALIGNPNVGKSTIFNALTGENVYIGNWPGVTVEKKEGEFEYNGEKFKVVDLPGVYSLTA----NSIDEIIARDYIINEKPDLVVNIVDATALERNLYLTLQLMEMGANLLLALNKMDLAKSLGIEIDVDKLEKILGVKVVPLSAAKKMGIEELKKAI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WJH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -124460 for 1192 contacts (-104.4/contact) +
2D Compatibility (PS) -17172 + (NN) -5601 + (LL) 46340
1D Compatibility (HY) -18800 + (ID) 4300
Total energy: -123993.0 ( -104.02 by residue)
QMean score : 0.531
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