Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKTILLSALLAFSCAHALSDMDLIKKAKESQLEPMPMGKALKEYQIKKTRDVGIGAKNSEIMTSAQVELGKMLYFDPRISTSYLVSCNTCHNLGLGGVDLIPSAIGSQWKKNPHLLSSPTVYNSVFNDVQFWDGRVTHLNEQAQGPIQSSFEMGADPKVVVEKINSIPGYVKLFRKAYGSKVK-IDFKLIADSIAMFEATLITP-SRYDDFLRGNPKALSKAEKEGLDLFISKGCVACHNGINLGGT-MQPFGVV-KP----YKFANVGDFK----GDKNGLVKVPTLRNITETMPYFHNGQFWDVKDAIKEMGSIQLGIEISDAEAKKIETFFEALKGKKPKIIYPELPVMTDKTPKPSF |
2C1V Chain:B ((28-336)) | ----------------------------------------------IKQTEDNPEGVP----LTAEKIELGKVLFFDPRMSSSGLISCQTCHNVGLGGVDGLPTSIGHGWQKGPR--NAPTMLNAIFNAAQFWDGRAADLAEQAKGPVQAGVEMSNTPDQVVKTINSMPEYVEAFKAAFPEEADPVTFDNFAAAIEQFEATLITPNSAFDRFLAGDDAAMTDQEKRGLQAFMETGCTACHYGVNFGGQDYHPFGLIAKPGAEVLPAGDTGRFEVTRTTDDEYVFRAAPLRNVALTAPYFHSGVVWELAEAVKIMSSAQIGTELTDQQAEDITAFLGTLTGEQPVIDHPILPVRTGTTPLPTP |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C1V.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -51139 for 2390 contacts (-21.4/contact) +
2D Compatibility (PS) -31738 + (NN) -15680 + (LL) 4724
1D Compatibility (HY) -23600 + (ID) 6950
Total energy: -124383.0 ( -52.04 by residue)
QMean score : 0.471
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