Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTLGTG-SFGRVMLVKHKET-GNHYAMKILDKQKVVKL-KQIEHTLNEKRILQ--AVNFPFLVKLEFSFKDNS-NLYMVMEYVPGGEMFSHLRRI-GRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLID-QQGYIQVTDFGFAKRV----KGRTWTLCGTPEYLAPEIILSK---GYNKAVDWWALGVLIYEMAAGY-PPFFADQP--IQIYEKIVSG------KVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTD---WIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIR---VSINEKCGKEFSEF |
1CDK Chain:A ((8-350)) | KGSEQESVKEFLAKAKEDFLKKWENPAQNTA------H--LDQFERIKTLGT-GSFGRVMLVKHKETG-NHFAMKILDKQKVVK-LKQIEHTLNEKRILQAV--NFPFLVKLEYSFKDN-SNLYMVMEYVPGGEMFSHLRR-IGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQ-QGYIQVTDFGFAKRVKGRT----WTLCGTPEYLAPEIILS-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) -139105 for 2469 contacts (-56.3/contact) +
2D Compatibility (PS) -33584 + (NN) -16426 + (LL) 1588
1D Compatibility (HY) -43200 + (ID) 14150
Total energy: -244877.0 ( -99.18 by residue)
QMean score : 0.729
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