Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDQEILDVLIVGAGPGGIATVVECEIAGVKKVLLCEKTESHSGMLEKFYKAGKRIDKDYKKQVVELKGHIPFKDSFKEETLENFTNLLKEHRITPSYKTDIESVKK-EGELFKITTTSNTTYHAKFVVVAIGKMGQPNRPTTYKIPVALSK----QVVFSINDCKENEKTLVIGGGNSAVEYAIALCKTTP-TTLNYRKKEFSRINEDNAKNLQEVLDNNTLKSKLGVDIESLEEDNTQ---IKVNFTDNT--SESFDRLLYAIGGSTPLEFFKR----CSLELDPSTNIPVVKENLESNNIPNLFIVGDILFKSGASIATALNHGYDVAIEIAKRLQS |
3R9U Chain:A ((1-313)) | -SNAMLDVAIIGGGPAGLSAGLYATRGGLKNVVMFEKGM-PGGQITSSSEI-----ENYPGVAQVM---------DGISFMAPWSEQCMRFGLKHE-MVGVEQILKNSDGSFTIKLEGGKTELAKAVIVCTGS--APKKA-GFKGEDEFFGKGVSTCATCDGFFYKNKEVAVLGGGDTALEEALYLANICSKIYLIHRRDEFRA-AP---STVEKVKKNEKIELITSASVDEVYGDKMGVAGVKVKLKDGSIRDLNVPGIFTFVGLNVRNEILKQDDSKFLCNMEEG-GQVSVDLKMQT-SVAGLFAAGDLRKDAPKQVICAAGDGAVAALSAMAYIES |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R9U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -160356 for 2514 contacts (-63.8/contact) +
2D Compatibility (PS) -31791 + (NN) -7052 + (LL) 736
1D Compatibility (HY) -9600 + (ID) 2900
Total energy: -210963.0 ( -83.92 by residue)
QMean score : 0.464
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