Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATATTQRPLKGPAKRMSTWTMTREAITIGFDAGDGFLGRLRGSDITRFRCAGRRFVSISHPDYVDHVLHEARLKYVKSDEYGPIRATAGLNLLTD--EGDSWARHRGALNSTFARRHLRGLVGLMIDPIADVTAARVPGAQFDMH----QSMVETTLRVVA--------NALFSQDFGPLVQSMHDLATRGL-RRAEKLERLGLWGLMPRTVYDTLIWCIYSGVHLPPPLREMQEITLTLDRAINSVIDRRLAEPTNSADLLNVLLSAD----GGIWPRQRVRDEALTFMLAGHETTANAMSWFWYLMALNPQARDHMLTELDDVLGMRRPTADDLGKLAWTTACLQESQRYFSSVWIIAREAVDDDIIDG-HRIRRGTTVVIPIHHIHHDPRWW-PDPDRFDPGRFLRCPTDRPRCAYLPFGGGRRICIGQSFALMEMVLMAAIMSQHFTFDLAPGYHVELEATLTLRPKHGVHVIGRRR |
4HGG Chain:A ((38-442)) | --------------------------------------------EIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLATSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVD-IAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSM----VRALDERM-----------------------------------QFQEDIKVMNDLVDKIIADRKASGEQSDDLLAHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERF-ENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPE---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HGG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -236624 for 2894 contacts (-81.8/contact) +
2D Compatibility (PS) -40008 + (NN) -21904 + (LL) 5676
1D Compatibility (HY) -20400 + (ID) 5250
Total energy: -318510.0 ( -110.06 by residue)
QMean score : 0.470
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