Skip to main content
. Author manuscript; available in PMC: 2022 Aug 7.
Published in final edited form as: Nat Methods. 2022 Feb 7;19(2):195–204. doi: 10.1038/s41592-021-01389-9

Table 1.

Modeling results by CR-I-TASSER and other methods on 778 benchmark test proteins involving different density map types and resolutions. P-values are calculated using two-tailed Student’s t-tests between the TM-scores produced by CR-I-TASSER and the other methods. Bold fonts highlight the performer which obtained the best average result in each category.

Methods TM˗score N (TM>TM0)4 RMSD (Å) P-value
301 Hard targets with high-resolution density map (resolution in 2–5 Å) (TM0=0.5)

I-TASSER1 0.345 27 12.0 8.0×10−91
Flex-EM2 0.318 22 12.4 3.8×10−96
iMODFIT2 0.340 25 11.9 6.6×10−91
MDFF2 0.331 26 12.1 3.4×10−91
EM-Refiner2 0.315 18 12.2 6.9×10−96
Rosetta-Ref2 0.297 30 14.0 1.2×10−99
MAINMAST3 0.438 121 10.2 9.8×10−47
Rosetta-dn3 0.419 94 12.2 8.7×10−52
Phenix3 0.466 134 8.6 8.7×10−42
CR-I-TASSER3 0.772 251 4.4 --

229 Easy targets with high-resolution density map (resolution in 2–5 Å) (TM0=0.9)

I-TASSER1 0.762 16 5.1 8.4×10−75
Flex-EM2 0.824 66 4.4 4.6×10−35
iMODFIT2 0.799 43 4.7 5.6×10−48
MDFF2 0.857 104 4.1 4.8×10−21
EM-Refiner2 0.846 76 4.0 3.5×10−37
Rosetta-Ref2 0.851 103 4.0 6.9×10−21
MAINMAST3 0.439 9 11.8 5.7×10−78
Rosetta-dn3 0.474 17 12.0 8.0×10−77
Phenix3 0.493 8 8.4 1.4×10−76
CR-I-TASSER3 0.950 198 1.4 --

301 Hard targets with low-resolution density map (resolution in 5–15 Å) (TM0=0.5)

I-TASSER1 0.345 27 12.0 2.0×10−48
Flex-EM2 0.303 13 12.3 1.2×10−61
iMODFIT2 0.316 23 12.0 2.0×10−56
MDFF2 0.319 29 11.8 6.8×10−55
EM-Refiner2 0.305 19 12.1 2.3×10−60
Rosetta-Ref2 0.268 18 13.9 1.6×10−70
MAINMAST3 0.204 3 14.3 2.1×10−86
Rosetta-dn3 0.201 7 14.6 6.7×10−91
Phenix3 0.180 0 12.5 5.5×10−95
CR-I-TASSER3 0.597 191 6.3 --

229 Easy targets with low-resolution density map (resolution in 5–15 Å) (TM0=0.9)

I-TASSER1 0.762 16 5.1 8.4×10−75
Flex-EM2 0.666 0 5.3 3.5×10−90
iMODFIT2 0.767 34 4.4 4.0×10−29
MDFF2 0.788 46 4.3 5.5×10−23
EM-Refiner2 0.739 21 4.7 5.3×10−42
Rosetta-Ref2 0.714 14 4.9 7.5×10−49
MAINMAST3 0.202 0 15.6 5.7×10−311
Rosetta-dn3 0.225 1 9.2 1.5×10−238
Phenix3 0.174 0 13.8 3.2×10−309
CR-I-TASSER3 0.898 137 2.1 --

178 targets with experimental density map (resolution in 2–5 Å) (TM0=0.9)

I-TASSER1 0.647 6 8.3 4.0×10−15
Flex-EM2 0.681 24 8.5 3.6×10−9
iMODFIT2 0.695 19 7.8 6.8×10−8
MDFF2 0.709 37 7.3 4.9×10−6
EM-Refiner2 0.690 32 8.3 2.5×10−7
Rosetta-Ref2 0.688 40 8.5 7.1×10−7
MAINMAST3 0.323 2 15.2 7.4×10−72
Rosetta-dn3 0.353 5 15.7 1.4×10−60
Phenix3 0.349 1 13.3 2.7×10−63
CR-I-TASSER3 0.810 75 4.9 --

70 targets with experimental density map (resolution in 5–10 Å) (TM0=0.5)

I-TASSER1 0.612 49 9.2 2.7×10−3
Flex-EM2 0.546 45 9.3 4.3×10−7
iMODFIT2 0.603 48 8.9 1.7×10−3
MDFF2 0.573 46 8.7 5.9×10−5
EM-Refiner2 0.576 45 8.8 9.7×10−5
Rosetta-Ref2 0.554 43 9.3 9.7×10−6
MAINMAST3,5 0.221 0 16.1 2.0×10−31
Rosetta-dn3 0.176 1 15.6 5.4×10−41
Phenix3 0.118 0 18.3 1.5×10−43
CR-I-TASSER3 0.714 63 6.2 --
1

Protein structure prediction methods

2

Cryo-EM based structure refinement methods

3

Cryo-EM based de novo structure modeling methods

4

TM0=0.5 for simulated Hard targets and low-resolution experimental targets, =0.9 for simulated Easy targets or high-resolution experimental targets

5

Only 61 targets are solved with MAINMAST, probably due to the low resolution and experimental noise