| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
D |
68 |
18 |
8882 |
◊ |
B |
x,y,z |
1_555 |
65 |
21 |
8778 |
668.8 |
-3.7 |
0.409 |
7 |
2 |
0 |
0.000 |
2 |
|
C |
63 |
20 |
8947 |
◊ |
A |
x,y,z |
1_555 |
68 |
16 |
8810 |
651.6 |
-4.0 |
0.385 |
5 |
0 |
0 |
0.000 |
| Average: |
660.2 |
-3.8 |
0.397 |
6 |
1 |
0 |
0.000 |
| 2 |
3 |
|
C |
50 |
16 |
8947 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
8778 |
429.6 |
4.5 |
0.920 |
8 |
0 |
0 |
0.000 |
| 3 |
4 |
|
F |
46 |
11 |
9051 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
38 |
15 |
8947 |
387.6 |
-4.3 |
0.274 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
43 |
15 |
8810 |
◊ |
A |
y,x,-z-1 |
7_554 |
42 |
15 |
8810 |
380.0 |
2.0 |
0.842 |
14 |
0 |
0 |
0.062 |
| 5 |
6 |
|
A |
32 |
11 |
8810 |
◊ |
E |
-y-1/2,x+1/2,z-1/4 |
3_454 |
49 |
15 |
8809 |
360.8 |
-1.3 |
0.592 |
7 |
1 |
0 |
0.000 |
| 6 |
7 |
|
B |
37 |
13 |
8778 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
8810 |
353.2 |
-0.3 |
0.621 |
4 |
1 |
0 |
0.000 |
8 |
|
D |
38 |
12 |
8882 |
◊ |
C |
x,y,z |
1_555 |
35 |
12 |
8947 |
328.9 |
-3.3 |
0.298 |
3 |
0 |
0 |
0.000 |
| Average: |
341.0 |
-1.8 |
0.459 |
4 |
1 |
0 |
0.000 |
| 7 |
9 |
|
D |
37 |
13 |
8882 |
◊ |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
41 |
13 |
8947 |
344.7 |
-2.1 |
0.450 |
3 |
1 |
0 |
0.000 |
10 |
|
B |
41 |
14 |
8778 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
38 |
13 |
8947 |
335.9 |
-0.3 |
0.629 |
3 |
1 |
0 |
0.000 |
| Average: |
340.3 |
-1.2 |
0.540 |
3 |
1 |
0 |
0.000 |
| 8 |
11 |
|
E |
36 |
10 |
8809 |
◊ |
C |
x,y,z |
1_555 |
36 |
11 |
8947 |
307.7 |
-1.1 |
0.586 |
2 |
1 |
0 |
0.000 |
| 9 |
12 |
|
F |
30 |
10 |
9051 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
8778 |
289.7 |
-0.5 |
0.496 |
2 |
1 |
0 |
0.000 |
| 10 |
13 |
|
F |
28 |
8 |
9051 |
◊ |
D |
x,y,z |
1_555 |
27 |
10 |
8882 |
257.6 |
1.0 |
0.739 |
5 |
5 |
0 |
0.000 |
| 11 |
14 |
|
C |
24 |
7 |
8947 |
◊ |
C |
y,x,-z |
7_555 |
25 |
7 |
8947 |
228.3 |
-2.8 |
0.287 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
D |
22 |
6 |
8882 |
◊ |
A |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
26 |
8 |
8810 |
194.9 |
-1.0 |
0.518 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
F |
26 |
8 |
9051 |
◊ |
F |
y,x,-z-1 |
7_554 |
26 |
8 |
9051 |
187.7 |
0.8 |
0.752 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
F |
19 |
7 |
9051 |
◊ |
F |
-y-1,-x-1,-z-1/2 |
8_444 |
19 |
7 |
9051 |
169.1 |
-0.7 |
0.561 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
D |
18 |
6 |
8882 |
◊ |
E |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
12 |
4 |
8809 |
166.9 |
0.2 |
0.586 |
3 |
2 |
0 |
0.000 |
| 16 |
19 |
|
F |
14 |
4 |
9051 |
◊ |
A |
-y-1/2,x-1/2,z-1/4 |
3_444 |
17 |
6 |
8810 |
166.5 |
-1.0 |
0.471 |
0 |
1 |
0 |
0.000 |
| 17 |
20 |
|
D |
20 |
5 |
8882 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
21 |
8 |
8947 |
162.9 |
-0.5 |
0.559 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
F |
17 |
4 |
9051 |
◊ |
E |
-x-1,-y-1,z-1/2 |
2_444 |
18 |
5 |
8809 |
157.1 |
-3.1 |
0.172 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
E |
14 |
4 |
8809 |
◊ |
C |
y,x,-z |
7_555 |
17 |
5 |
8947 |
132.9 |
-3.4 |
0.119 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
E |
16 |
8 |
8809 |
◊ |
E |
y,x,-z |
7_555 |
16 |
8 |
8809 |
111.5 |
0.4 |
0.735 |
2 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[GOL]D:303 |
6 |
1 |
219 |
◊ |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
20 |
6 |
8947 |
108.5 |
0.3 |
0.627 |
6 |
0 |
0 |
0.079 |
| 22 |
25 |
|
[PEG]A:304 |
7 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8810 |
99.9 |
2.5 |
0.324 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
E |
15 |
6 |
8809 |
◊ |
D |
y,x,-z |
7_555 |
17 |
8 |
8882 |
98.4 |
1.7 |
0.833 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[GOL]F:301 |
6 |
1 |
222 |
f |
F |
y,x,-z-1 |
7_554 |
14 |
6 |
9051 |
88.6 |
-0.7 |
0.410 |
2 |
0 |
0 |
0.100 |
| 25 |
28 |
|
[SO4]D:304 |
5 |
1 |
185 |
f |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
10 |
4 |
8947 |
77.9 |
-10.5 |
0.888 |
4 |
0 |
0 |
0.420 |
| 26 |
29 |
|
[GOL]F:301 |
4 |
1 |
222 |
◊ |
[GOL]F:301 |
y,x,-z-1 |
7_554 |
4 |
1 |
222 |
65.7 |
1.1 |
0.691 |
1 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8778 |
60.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.042 |
| 28 |
31 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8810 |
55.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.207 |
| 29 |
32 |
|
[CL]A:302 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
11 |
6 |
8810 |
55.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.206 |
| 30 |
33 |
|
[GOL]F:301 |
3 |
1 |
222 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
9051 |
54.3 |
0.1 |
0.603 |
1 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
8810 |
47.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.364 |
35 |
|
[CA]E:301 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
8809 |
47.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.364 |
36 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
8778 |
47.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.364 |
37 |
|
[CA]C:301 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
8947 |
46.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.364 |
38 |
|
[CA]D:301 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
8882 |
46.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.364 |
| Average: |
47.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.364 |
| 32 |
39 |
|
[SO4]A:305 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
8810 |
44.3 |
-5.1 |
0.835 |
1 |
0 |
0 |
0.164 |
| 33 |
40 |
|
[SO4]D:304 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8882 |
37.7 |
-4.1 |
0.907 |
1 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[GOL]D:303 |
2 |
1 |
219 |
◊ |
[SO4]D:304 |
x,y,z |
1_555 |
4 |
1 |
185 |
32.5 |
-3.5 |
0.865 |
1 |
0 |
0 |
0.137 |
| 35 |
42 |
|
[SO4]A:305 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
8778 |
30.4 |
-3.7 |
0.326 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
[PEG]A:304 |
3 |
1 |
258 |
f |
E |
-y-1/2,x+1/2,z-1/4 |
3_454 |
4 |
1 |
8809 |
25.0 |
0.4 |
0.320 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
3 |
1 |
8947 |
24.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
B |
1 |
1 |
8778 |
x |
B |
-y-1/2,x-1/2,z-1/4 |
3_444 |
4 |
2 |
8778 |
16.1 |
0.3 |
0.769 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
y,x,-z-1 |
7_554 |
3 |
2 |
8810 |
15.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.042 |
| 40 |
47 |
|
[SO4]D:305 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
8882 |
3.1 |
-0.3 |
0.739 |
0 |
0 |
0 |
0.003 |
| 41 |
48 |
|
[SO4]A:305 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
8947 |
1.1 |
-0.1 |
0.798 |
0 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
9051 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
F |
1 |
1 |
9051 |
◊ |
D |
-y-1,-x-1,-z-1/2 |
8_444 |
1 |
1 |
8882 |
0.9 |
0.0 |
0.719 |
0 |
0 |
0 |
0.000 |
|