Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDVTIVKEGWVQKRGEYIKNWRPRYFLLKTDGSFIGYKEKPQDVDLPYPLNNFSVAKCQLMKTERPKPNTFIIRCLQWTTVIERTFHVDTPEEREEWTEAIQAVADRLQRQEEERMNCSPTSQIDNIGEEEMDASTTHHKRKTMNDFDYLKLLGKG-TFGKVILVREKAS-GKYYAMKILKKEVIIAKDEVAHTLTESRVLK--NTRHPFLTSLKYSFQTKDRLCFVMEYVNGGELFFHLSR-ERVFSEDRTRFYGAEIVSALDYLHSGK--IVYRDLKLENLMLD-KDGHIKITDFGLCKEGITDAATMK--TFCGTPEYLAPEVLEDN---DYGRAVDWWGLGVVMYEMMCG-RLPFY--NQDHEKLFELILME------DIKFPRTLSSDAKSLLSGLLIKDPNKRLGGGPDDAKEIMRHSFFSGVN---WQDVYDKKLVPPFKPQVTSETDTRYFDEEFTAQTITITPPEKYDEDGMDCMDNERRPHFPQFSYSASGRE |
1CDK Chain:A ((8-350)) | -------------------------------------------------------------------------------------------KGSEQESVKEFLAKAKEDFLKKWENPAQNTA-------------------H--LDQFERIKTLGT-GSFGRVMLVKHKETG-NHFAMKILDKQKVVKLKQIEHTLNEKRILQAV--NFPFLVKLEYSFKDNSNLYMVMEYVPGGEMFSHLRRI-GRFSEPHARFYAAQIVLTFEYLHS--LDLIYRDLKPENLLIDQ-QGYIQVTDFGFAKRV-K--G--RTWTLCGTPEYLAPEIILS-KGY--NKAVDWWALGVLIYEMAAGY-PPFFAD--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) -143253 for 2500 contacts (-57.3/contact) +
2D Compatibility (PS) -34833 + (NN) -20848 + (LL) 8080
1D Compatibility (HY) -27200 + (ID) 6500
Total energy: -224554.0 ( -89.82 by residue)
QMean score : 0.488
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