Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -----------MGDEDDDESCAVELRITEANLTGHEEKVSVENFELLKVLGTG-AYGKVFLVRKAGGHDAGKLYAMKVLRKAALV-QRAKTQEHTRTERSVLELVRQA--PFLVTLHYAFQTDAKLHLILDYVSGGEMFTHLYQRQ-YFKEAEVRVYGGEIVLALEHLH-KLGIIYRDLKLENVLLDSEGHIVLTDFGLSKEFLTEEKERTF-SFCGTIEYMAPEIIRSKT---GHGKAVDWWSLGILLFELLTGASP------FTLEGERNTQAEVSRRILKC------SPPFPPRIGPVAQDLLQRLLCKDPKKRLGAGPQGAQEVRNHPFFQGLD---WVALAARKIPAPFRPQIRSELDVGNFAEEFTRLEPVYSPPGSPPPGDPRIFQGYSFVAPSILFDHNNAVMTDGLEAPGAGDRPGRAAVARSAMMQDSPFFQQYELDLREPALGQGSFSVCRRCRQRQSGQEFAVKILSRRLEANTQREVAALRLCQSHPNVVNLHEVHHDQLHTYLVLELLRGGELLEHIRKKRHFSESEASQILRSLVSAVSFMHEEAGVVHRDLKPENILYADDTPGAPVKIIDFGFARLRPQSPGVPMQTPCFTLQYAAPELLAQQGYDESCDLWSLGVILYMMLSGQVPFQGASGQGGQSQAAEIMCKIREGRFSLDGEAWQGVSEEAKELVRGLLTVDPAKRLKLEGLRGSSWLQDGSARSSPPLRTPDVLESSGPAVRSGLNATFMAFNRGKREGFFLKSVENAPLAKRRKQKLRSATASRRGSPAPANPGRAPVASKGAPRRANGPLPPS |
1CDK Chain:A ((8-350)) | KGSEQESVKEFLAKAKEDFLKKWENPAQNTA------H--LDQFERIKTLGT-GSFGRVMLVKHK--ETG-NHFAMKILDKQKVVK--LKQIEHTLNEKRILQAV---NFPFLVKLEYSFKDNSNLYMVMEYVPGGEMFSHLRR-IGRFSEPHARFYAAQIVLTFEYLHS-LDLIYRDLKPENLLIDQQGYIQVTDFGFAKRV-K--G--RTWTLCGTPEYLAPEIILS--KGY--NKAVDWWALGVLIYEMAAG---YPPFFAD-------QPIQIYEKIVSGKVRFPS------HFSSDLKDLLRNLLQVDLTKRFGNLKDGVNDIKNHKWFA---TTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSI-----NEKCGKEFSEF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1CDK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164724 for 2433 contacts (-67.7/contact) +
2D Compatibility (PS) -33358 + (NN) -15777 + (LL) 24420
1D Compatibility (HY) -27200 + (ID) 5950
Total energy: -222589.0 ( -91.49 by residue)
QMean score : 0.456
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