Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDGSVSDIKRGRAARNAKLASIPVGFAGRAALGLGKRLTGKSKDEVTAELMEKAANQLFTVLGELKGGAMKVGQALSVMEAAIPDEFGEPYREALTKLQKDAPPLPASKVHRVLDGQLGTKWRERFSSFN-DTPVASASIGQVHKAIWS-DGREVAVKIQYPGADEALRADLKTMQRMVGVLKQLSPGADVQGVVDELVERTEMELDYRLEAANQRAFAKAYHDHPRFQVPHVVASAPKVVIQEWIEGVPMAEIIRHGT---TEQRDLIGTLLAELTFDAPRRLGLMHGDAHPGNFMLLPDGRMGIIDFGAVAPMPGGFPIELGMTIRLAREKNYDLLLPTMEKAGLIQRGRQVSVREIDEMLRQYVEPIQVEVFHYTRKWLQKMTVSQIDRSVAQIRTARQMDLPAKLAIPMRVIASVGAILCQLDAHVPIKALSEELIPGFAEPDAIVV |
3TKI Chain:A ((8-157)) | --------------------------------------------------------------------------------------------------------------------------------DWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMK----------NIKKEICINK-------------------------MLNHENVVKFYGHRREGNIQY-----------LFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAG-VVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRY-------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -72709 for 948 contacts (-76.7/contact) +
2D Compatibility (PS) -15117 + (NN) -8629 + (LL) 23940
1D Compatibility (HY) -6400 + (ID) 1300
Total energy: -80215.0 ( -84.61 by residue)
QMean score : 0.265
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