Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKPIKISKFKKNVSDSHFIHFFTVFSGIFLVMTVIILQVMRYGVYSSVDSSLKYISTHPKNYINMVMSRTAAYLDNSNIASVKLKPGGQTVANTDIILFTSEEEVINYFDAFSNYQFLKPNKKNLGGISELTLTNIFGQDETYHAVTVKVNNPAYPNVTYMTAIVNIDQLVNAKERYEKIIIFVMTTFWIISIGASIYLAKWAQKPIIENYERQKAFVENASHELRTPLAVLQNRLETLFRKPN----ATILENSENIASSLDEVRNMRILTTNLLNLARRDDGIKPELAVIKPTLFDSIFENYDLIAQENGKNFTGHNMIQDSFKT----------DKTLLKQLMTILFDNAIKYTDNDGS---IDFTISETDKYLFLEIADNGPGISEEDKVRIFDRFYRVDKARTRQQGGFGLGLSLAQQIVNSLRGNITVIDNKPRGSIFKIKLPKVKG |
4JAS Chain:A ((23-247)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FIANISHELRTPLTVIKGYAEMIYNSLGELDLSTLKEFLETIIEQSNHLENLLNELLDFSRLERKSLQINRE----KVDLCDLVESAVNAI-----KEFASSHNVNVLFESNVPCPVEAYIDPTRIRQVLLNLLNNGVKYSKKDAPDKYVKVILDEKDGGVLIIVEDNGIGIPDHAKDRIFEQFYRVDSSLTYEVPGTGLGLAITKEIVELHGGRIWVESEVGKGSRFFVWIPKDR- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JAS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -76640 for 1445 contacts (-53.0/contact) +
2D Compatibility (PS) -22356 + (NN) -10870 + (LL) 17776
1D Compatibility (HY) -14400 + (ID) 3400
Total energy: -109890.0 ( -76.05 by residue)
QMean score : 0.461
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