Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNDDGKVNASSEGYFILVGFSNWPHLEVVIFVVVLIFYLMTLIG---NLFIIILSYLDSHLHTPMYFFLSNLSFLDLCYTTSSIPQLLVN------LWGPEKTISYAGCMIQLYFVLALGTTECVLLVVMSYDRYAAVCRPLHYTVLMHPRFCH---LLAVA-SWVSGFTNSALHSSFTFWVPLCGHRQVDHFFCEVPALLRLSC-VDTHV------NELTLMITSSIFVLIPLILILTSYGAIV----RAVLRMQSTTGLQKVFGTCGAHLMAVSLFFIPAMCIYLQPPSG--------NSQDQGKF---IALFYTVVTPSLNPLIYTLRNKVVRGAVKRLMGWE |
3PQR Chain:A ((45-314)) | -------------------------------------FLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGP------TGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMS-----NFRFGENHAIMGVAFTWVMALACAA--------PPLVGWSRY------IPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKA----EKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PQR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172498 for 1699 contacts (-101.5/contact) +
2D Compatibility (PS) -23753 + (NN) -1184 + (LL) 5100
1D Compatibility (HY) -26000 + (ID) 3450
Total energy: -221785.0 ( -130.54 by residue)
QMean score : 0.186
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