Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATATTQRPLKGPAKRMSTWTMTREAITIGFDAGDGFLGRLRGSDITRFRCAGRRFVSISHPDYVDHVLHEARLKYVKSDEYGPIRATAGLNLLTD--EGDSWARHRGALNSTFARRHLRGLVGLMIDPIADVTAARVPGAQFDMH----QSMVETTLRVVA--------NALFSQDFGPLVQSMHDLATRGLRRA-EKLERLGLWGLMPRTVYDTLIWCIYSGVHLPPPLREMQEITLTLDRAINSVIDRRLAEPTNSADLLNVLLSAD----GGIWPRQRVRDEALTFMLAGHETTANAMSWFWYLMALNPQARDHMLTELDDVLGMRRPTADDLGKLAWTTACLQESQRYFSSVWIIAREAVDDDIIDG-HRIRRGTTVVIPIHHIHHDPRWW-PDPDRFDPGRFLRCPTDRPRCAYLPFGGGRRICIGQSFALMEMVLMAAIMSQHFTFDLAPGYHVELEATLTLRPKHGVHVIGRRR |
4KPA Chain:A ((62-466)) | --------------------------------------------EIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVD-IAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSM----VRALDEAMNKLQRAN----PDDPAYDE-------------NKRQFQEDIKVMNDLVDKIIADRKA---QSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERF-ENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPE---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KPA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -220830 for 3021 contacts (-73.1/contact) +
2D Compatibility (PS) -41108 + (NN) -17285 + (LL) 4524
1D Compatibility (HY) -20400 + (ID) 5550
Total energy: -300649.0 ( -99.52 by residue)
QMean score : 0.459
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