Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINI-TNNEKVVVKILK---PVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTP----ALVFEHVNNTDFKQLYQ-TLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMID-HEHRKLRLIDWGLAEFYHPGQ-----EYNVRVASRYFKGPELLV---DYQMYDYSLDMWSLGCMLASMIF-RKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFV--HSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSSSMPGGSTPVSSANMMSGISSVPTPSPLGPLAGSPVIAAANPLGMPVPAAAGAQQ- |
1LR4 Chain:A ((2-328)) | SKARVYADVNVLRP----KEYWDYEALTVQWG------E------QDDYEVVRKVGRGKYSEVFEGINVNNN-EKCIIKILKPVK---KKKIKREIKILQNLCGGPNIVKLLDIVRDQ----HSKTPSLIFEYVNNTDFKVLYPT-LTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDH-ELRKLRLIDWGLAEFY-HPGKEYNV----RVASRYFKGPELLVDLQDY---DYSLDMWSLGCMFAGMIFR-KEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNA--DNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAEN-----------------------------------------------------------S |
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General information:
TITO was launched using:
| RESULT:
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Template: 1LR4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -207745 for 2272 contacts (-91.4/contact) +
2D Compatibility (PS) -31106 + (NN) -7504 + (LL) 3432
1D Compatibility (HY) -41200 + (ID) 10650
Total energy: -294773.0 ( -129.74 by residue)
QMean score : 0.742
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