Hindsight Report

Native structure: 2n2u/2n2u_trimmed.pdb

Denovo structure: 2n2u/pred1.pdb

CA rmsd: 2.855Å
All atom rmsd: 3.564Å
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1.00 1.00
2.00 4.00
3.00 9.00
4.00 16.00
5.00 9.00
1 2 3 4 5
1.0 2.00 3.000 4.0000 5.00000
1.0 4.00 9.000 16.0000 9.00000

Bond length analysis

Effect of replacing bond lengths

Native bond lengths substituted into denovo structure: as first change (top), as last change (bottom)
Sidechains left unchanged
(Mouseover images to compare)

All lengths

N-CA lengths

CA-C lengths

C-N lengths
ΔCA_RMSD:
0.048Å
(2.855Å ---> 2.903Å)

ΔFA_RMSD:
0.039Å
(3.564Å ---> 3.603Å)

After

Before

Before

After
ΔCA_RMSD:
-0.152Å
(0.152Å ---> 0.000Å)

ΔFA_RMSD:
0.002Å
(1.770Å ---> 1.772Å)
ΔCA_RMSD:
0.027Å
(2.855Å ---> 2.882Å)

ΔFA_RMSD:
0.021Å
(3.564Å ---> 3.586Å)

After

Before

Before

After
ΔCA_RMSD:
-0.075Å
(0.075Å ---> 0.000Å)

ΔFA_RMSD:
0.003Å
(1.769Å ---> 1.772Å)
ΔCA_RMSD:
0.024Å
(2.855Å ---> 2.878Å)

ΔFA_RMSD:
0.019Å
(3.564Å ---> 3.583Å)

After

Before

Before

After
ΔCA_RMSD:
-0.077Å
(0.077Å ---> 0.000Å)

ΔFA_RMSD:
0.002Å
(1.770Å ---> 1.772Å)
ΔCA_RMSD:
-0.004Å
(2.855Å ---> 2.850Å)

ΔFA_RMSD:
-0.003Å
(3.564Å ---> 3.561Å)

After

Before

Before

After
ΔCA_RMSD:
-0.052Å
(0.052Å ---> 0.000Å)

ΔFA_RMSD:
-0.000Å
(1.773Å ---> 1.772Å)

Bond angle analysis

Effect of replacing bond angles

Native bond angles substituted into denovo structure: as first change (top), as last change (bottom)
Sidechains left unchanged
(Mouseover images to compare)

All angles

N angles

CA angles

C angles
ΔCA_RMSD:
2.317Å
(2.855Å ---> 5.172Å)

ΔFA_RMSD:
2.045Å
(3.564Å ---> 5.609Å)

After

Before

Before

After
ΔCA_RMSD:
-4.108Å
(4.108Å ---> 0.000Å)

ΔFA_RMSD:
-2.758Å
(4.530Å ---> 1.772Å)
ΔCA_RMSD:
0.226Å
(2.855Å ---> 3.081Å)

ΔFA_RMSD:
0.175Å
(3.564Å ---> 3.739Å)

After

Before

Before

After
ΔCA_RMSD:
-1.588Å
(1.588Å ---> 0.000Å)

ΔFA_RMSD:
-0.610Å
(2.382Å ---> 1.772Å)
ΔCA_RMSD:
0.847Å
(2.855Å ---> 3.702Å)

ΔFA_RMSD:
0.738Å
(3.564Å ---> 4.302Å)

After

Before

Before

After
ΔCA_RMSD:
-2.004Å
(2.004Å ---> 0.000Å)

ΔFA_RMSD:
-0.967Å
(2.739Å ---> 1.772Å)
ΔCA_RMSD:
0.434Å
(2.855Å ---> 3.289Å)

ΔFA_RMSD:
0.372Å
(3.564Å ---> 3.936Å)

After

Before

Before

After
ΔCA_RMSD:
-1.375Å
(1.375Å ---> 0.000Å)

ΔFA_RMSD:
-0.485Å
(2.257Å ---> 1.772Å)

Ramachandran plots

Effect of replacing torsion angles

Native torsion angles substituted into denovo structure: as first change (top), as last change (bottom)
Sidechains left unchanged
(Mouseover images to compare)

All angles

Phi angles

Psi angles

Omega angles
ΔCA_RMSD:
1.147Å
(2.855Å ---> 4.002Å)

ΔFA_RMSD:
0.867Å
(3.564Å ---> 4.431Å)

After

Before

Before

After
ΔCA_RMSD:
-5.199Å
(5.199Å ---> 0.000Å)

ΔFA_RMSD:
-3.862Å
(5.634Å ---> 1.772Å)
ΔCA_RMSD:
5.973Å
(2.855Å ---> 8.827Å)

ΔFA_RMSD:
5.769Å
(3.564Å ---> 9.333Å)

After

Before

Before

After
ΔCA_RMSD:
-10.285Å
(10.285Å ---> 0.000Å)

ΔFA_RMSD:
-9.121Å
(10.893Å ---> 1.772Å)
ΔCA_RMSD:
7.873Å
(2.855Å ---> 10.728Å)

ΔFA_RMSD:
7.767Å
(3.564Å ---> 11.331Å)

After

Before

Before

After
ΔCA_RMSD:
-8.705Å
(8.705Å ---> 0.000Å)

ΔFA_RMSD:
-7.572Å
(9.344Å ---> 1.772Å)
ΔCA_RMSD:
0.454Å
(2.855Å ---> 3.308Å)

ΔFA_RMSD:
0.456Å
(3.564Å ---> 4.020Å)

After

Before

Before

After
ΔCA_RMSD:
-2.900Å
(2.900Å ---> 0.000Å)

ΔFA_RMSD:
-1.620Å
(3.392Å ---> 1.772Å)

I37 Analysis

ILE
Some general information about the residue goes in this box
Pattern means negative value

All atoms combined

N

Pattern means negative value

CA

Pattern means negative value

C

Pattern means negative value

O

Pattern means negative value

CB

Pattern means negative value

CG1

Pattern means negative value

CG2

Pattern means negative value

CD1

Pattern means negative value

H

Pattern means negative value

HA

Pattern means negative value

HB

Pattern means negative value

1HG1

Pattern means negative value

2HG1

Pattern means negative value

1HG2

Pattern means negative value

2HG2

Pattern means negative value

3HG2

Pattern means negative value

1HD1

Pattern means negative value

2HD1

Pattern means negative value

3HD1

Pattern means negative value
Pattern means negative value