Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQNFKELGISDNTVQSLESMGFKEPTPIQKDSIPYALQ--GIDILGQAQTGTGKTGAFGIPLIEKVVGK-----QGVQSLILAPTRELAMQVAEQLREFSRGQ----GVQVVTVFGGMPIERQIKA-LKKGPQIVVGTPGRVIDHLNRR-TLKTDGIHTLILDEADEMMNMGFIDDMRFIMDKIPA------VQRQTMLFSATMPKAIQALVQQFMKSPKIIKTMNNE----MSDPQIEEFYTIVKE-LEK----FDTFTNFLD-VHQPELAIVFGRTKRRVDELTSALISK---GYKAEGLHGDITQAKRLEVLKKFKNDQINILVATDVAARGLDISGVSHVYNFDIPQDTESYTHRIGRTGRAGKEGIAVTFVNPIEMDYIRQIEDANGRKMSALRPPHRKEVLQAREDDIKEKVENWMSKESESRLKRISTELLNEYNDVDLVAALLQELVEANDEVEVQLTFEKPLSRKGRNGKPSGSRNRNSKRGNPKFDSKSKRSKGYSSKKKSTKKFDRKEKSSGGSRPMKGRTFADHQK |
3SQW Chain:A ((26-408)) | ------GVLDKEIHKAITRMEFPGLTPVQQKTIKPILSSEDHDVIARAKTGTGKTFAFLIPIFQHLINTKFDSQYMVKAVIVAPTRDLALQIEAEVKKIHDMNYGLKKYACVSLVGGTDFRAAMNKMNKLRPNIVIATPGRLIDVLEKYSNKFFRFVDYKVLDEADRLLEIGFRDDLETISGILNEKNSKSADNIKTLLFSATLDDKVQKLANNIMNKKECLFLDTVDKNEPEAHERIDQSVVISEKFANSIFAAVEHIKKQIKERDSNYKAIIFAPTVKFTSFLCSILKNEFKKDLPILEFHGKITQNKRTSLVKRFKKDESGILVCTDVGARGMDFPNVHEVLQIGVPSELANYIHRIGRTARSGKEGSSVLFICKDELPFVRELED----------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SQW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148869 for 2940 contacts (-50.6/contact) +
2D Compatibility (PS) -38228 + (NN) -18233 + (LL) 7720
1D Compatibility (HY) -26800 + (ID) 5600
Total energy: -230010.0 ( -78.23 by residue)
QMean score : 0.549
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