Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSSGSSHPFLLTGFPGLEEAHHWISVFFLFMYISILFGNGTLLLLIKEDHNLHEPMYFFLAMLAATDLGLALTTMPTVLGVLWLDHREIGSAACFSQAYFIHS--LSFLESGI--LLAMAYDRFIAICNPLRYTSVLTNTRVVKIGLGVLMRGFVSVVPPIRPLYFFLYC---HSHVLSHA--FCLHQDVIKLACADTTFNRLYPAVLVVFIFVLD-YLIIFISYVLILKTVLSIASREERAKALITCVSHICCVLVFYVTVIGLSLIHRFGKQVPHIVHLIMSYAYFLFPPLMNPITYSVKTKQIQNAILHLFTTHRIGT |
3REY Chain:A ((21-223)) | ------------------------------------ILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIPFAITI------STGFCAACHGCLFIACFVLVLAQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGI---IAICWVLSFAIGLTPMLGWNNCGQP---GCGEGQVACLFEDVVPM--NYMVYFNFFACVLVPLLLMLGVYLRIFAAARRQLKQMESQPLPGERARSTLQKEVHAAKSAAIIAGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLAHTNSVVNPFIYAYRIREFRQTFR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3REY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127561 for 1201 contacts (-106.2/contact) +
2D Compatibility (PS) -18604 + (NN) -4386 + (LL) 3044
1D Compatibility (HY) -16800 + (ID) 2750
Total energy: -167057.0 ( -139.10 by residue)
QMean score : 0.226
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