Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNLISIIIILCLTLSIMTPYAQATNSDVTPVQAANQYGYAGLSAAYEPTSAVNVSQTGQLLYQYNIDTKWNPASMTKLMTMYLTLEAVNKGQLSLDDTVTMTNKEYIMSTLPELSNTKLY---PGQVWTIADLLQITVSNSSNAAALILAKKVSKNTSDFVDLMNNKAKAIGMKNTHFVNPTGAENSRLRSFAPTKYKDQERTVTTARDYAILDLHVIKETPKILDFTKQLAPTTHAVTYYTFNFSLEGAKMSLPGTDGLKTGSSDTANYNHTITTKRGKFRINQVIMGAGDYKNLGGEKQRNMMGNALMERSFDQYKYVKILSKGEQRINGKKYYVENDLYDVLPSDFSKKDYKLVVEDGKVHADYPREFINKDYGPPTVEVHQPIIQKANTVAKSMWEEHPLFTIIGGACLVAGLALIVHMIINRLFRKRK |
1NJ4 Chain:A ((27-286)) | ---------------------------------------------------------SGKVLAEQNADVRRDPASLTKMMTSYVIGQAMKAGKFKETDLVTIGN-----------KGSSLMFLKPGMQVPVSQLIRDINLQSGNDACVAMADFAAGSQDAFVGLMNSYVNALGLKNTHFQTVHGL--------------DADGQYSSARDMALIGQALIRDVPNEYSIYKEKEFTFNGIRQLNRNGLLWDNSLNV---DGIKTGHTDKAGYNLVASATEGQMRLISAVMGGRTFKGREAESKK------LLTWGFRFFETVNPLKVGKEFASEPVWFGDSD--------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NJ4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -50302 for 1925 contacts (-26.1/contact) +
2D Compatibility (PS) -27022 + (NN) -14373 + (LL) 12920
1D Compatibility (HY) -11200 + (ID) 3550
Total energy: -93527.0 ( -48.59 by residue)
QMean score : 0.400
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