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Table 1 Evaluation of the overall difference between the constructed model and the crystal structure of muSCD1

From: Molecular mechanism of interaction between fatty acid delta 6 desaturase and acyl-CoA by computational prediction

 

TM-scorea

Global RMSDb

RMSD of tunnel3

Model method

muSCD1

1.0000

0.0000

0.0000

PDB ID 4YMK

SCD_CI

0.9958

0.4470

C-I-TASSER

SCD_trR

0.8296

3.0400

0.7240

trRosetta

SCD_RB

0.6478

0.4980

3.8030

Robetta

SCD_CQ

0.4148

4.5180

C-QUARK

SCD_SW

0.3342

4.7420

Swiss-model

SCD_CA

0.2798

6.6120

CATHER

  1. aTM Score is an index used to detect the structural similarity between two proteins. The TM Score is between 0 and 1, where 1 indicates that the two are completely consistent
  2. bThe global RMSD value measures the degree of difference between the two structures
  3. cThe RMSD of the residues composed of the substrate tunnel indicated the difference between model and crystal. The amino acid selected here is consistent with Fig. 4D
  4. – means this model was not compared