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Table 4 All-Atom RMSD for Models Built Using Different RAPPER Restraint Derivations and Templates and for Models Built by Modeller.

From: Comparative modelling by restraint-based conformational sampling

 

A

B

C

D

E

F

G

H

Family

RAPPER CA-trace

RAPPER optimal spatial restraints

RAPPER closest template

RAPPER all templates

CHORAL/ANDANTE + RAPPER

RAPPER all templates sampling by PID

MODELLER closest

MODELLER all templates

Aldosered

1.23

1.47

1.54

1.59

1.41

1.45

1.45

1.23

Asp

1.74

1.89

1.97

2.05

1.86

1.90

1.92

1.74

Az

1.31

1.37

1.48

1.36

1.35

1.25

1.60

1.31

Blm

1.54

1.55

2.00

1.67

1.83

1.95

2.00

1.47

Cyt3

1.21

1.12

1.08

1.67

1.18

1.15

1.26

1.19

Cytc

1.45

1.52

1.48

2.16

1.54

1.46

1.48

1.48

Egf

1.07

2.16

1.83

3.43

2.22

2.14

2.11

2.20

Fabp

1.37

1.98

2.20

2.05

2.35

2.21

2.14

2.13

Flav

1.24

1.49

1.45

1.75

1.44

1.69

1.61

1.63

Fn3

1.37

1.60

2.11

1.98

2.14

2.24

2.03

1.97

Ghf22

1.32

2.07

2.58

2.38

2.39

2.45

2.67

2.03

Glob

1.33

1.42

1.36

1.97

1.38

1.43

1.35

1.54

Gluts

1.25

2.88

3.19

3.66

2.92

2.84

3.19

2.89

Gtp

1.33

2.31

2.44

2.62

2.38

2.50

2.44

2.30

Igvar-h

1.52

1.72

2.01

3.24

2.49

2.54

2.31

2.98

Igvar-l

1.44

1.47

1.60

2.04

1.54

1.61

1.50

1.51

Ltn

1.53

1.36

1.36

1.63

1.34

1.41

1.27

1.34

MHC

1.58

1.77

1.93

1.91

1.76

1.82

2.04

2.12

Parv

1.18

1.40

1.23

1.33

1.32

1.27

1.27

1.14

Phc

1.14

1.56

1.68

1.59

1.53

1.58

1.99

1.74

Phos

1.34

2.95

2.84

2.65

2.67

2.54

2.67

2.37

Resp

1.23

2.69

3.14

3.41

3.06

3.35

3.03

3.26

Sh3

1.38

2.09

2.22

2.24

2.21

2.18

2.50

2.07

Tim

1.40

1.24

1.42

1.63

1.26

1.33

1.41

1.37

Mean

1.35

1.80

1.92

2.17

1.90

1.93

1.97

1.88

Family

RAPPER CA-trace

RAPPER optimal spatial restraints

RAPPER closest template

RAPPER all templates

CHORAL/ANDANTE + RAPPER

RAPPER all templates sampling by PID

MODELLER closest

MODELLER all templates

 

A

B

C

D

E

F

G

H

  1. The all-atom RMSD given in Ångstrom's for RAPPER models built using A. Cα-trace mode; B. Using optimal spatial restraints mode using based on all templates; C. stranded restraint derivation using just the closest template by PID; D. stranded restraint derivation using all templates; E. restraints predicted by CHORAL and ANDANTE using all templates; F. using restraints based on the PID of the templates using all templates; G. using MODELLER based on just the closest templates and H. using MODELLER based on all the templates.