Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRDLPSLNALRAFEAAARLHSISLAAEELHVTHGAVSRQVRLLEDDLGVALFGKDGRGVKLTDSGVRLRDACGDAFERLRGVCAELRRQT--AEAPFVLGVPGSLLARWFIPRLDQLNRALPDLRLQLSTSEGEFDPRRPGLDAMLWFAEPPWPADMQVFELAPERMGPVVSPRLAQETGLAQAPAARLLQEPL------LHTASRPQAWP--AWAASQGLAAEALRYGQG-FE--HLYYLLEAAVAGLGVAIAPEPLVRDDLAAGRLAAPWGFIETDAR-LALWVPARLHDPRAGRLAQWLREQLAG |
3SZP Chain:A ((3-280)) | -------LDDLNLFRLVVENGSYTSTSKKTMIPVATITRRIQALEDSLNLRLLNRHARKLTLTEAGERFYKDCSPLLERLASMTEEITDECRGASGRIRISAPSNLTKRMMMPMFNAFMEKYPDIHIELMMSNQADD-----LDPTEWDV---------IFRVGPQRDSSLIARKIGEVKDILVASPQYLSSHPQPTHAEELHQHQLLKGYPLLKWQLTNSQGETVVNSDRGRFQASALNVVRSACSEGLGITLMPDVMLREFLEDGSLVQVLSDWSSNPRDIYMLYNHKDHQPEKVRLFIDFVIGYHL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SZP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -128545 for 1823 contacts (-70.5/contact) +
2D Compatibility (PS) -27656 + (NN) -1228 + (LL) 196
1D Compatibility (HY) -16400 + (ID) 3000
Total energy: -176633.0 ( -96.89 by residue)
QMean score : 0.321
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