| ## |
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 |
260 |
50 |
8729 |
◊ |
C |
x,y,z |
1_555 |
255 |
50 |
8785 |
2370.9 |
-7.5 |
0.729 |
52 |
7 |
0 |
1.000 |
2 |
|
F |
249 |
48 |
8892 |
◊ |
E |
x,y,z |
1_555 |
253 |
51 |
8785 |
2340.3 |
-10.9 |
0.598 |
44 |
3 |
0 |
1.000 |
3 |
|
G |
251 |
49 |
8844 |
◊ |
G |
-x-1,y,-z-1/2 |
3_454 |
247 |
49 |
8844 |
2306.3 |
-8.1 |
0.721 |
52 |
4 |
0 |
1.000 |
4 |
|
B |
247 |
50 |
8820 |
◊ |
A |
x,y,z |
1_555 |
245 |
48 |
8766 |
2295.1 |
-7.9 |
0.736 |
55 |
9 |
0 |
1.000 |
| Average: |
2328.1 |
-8.6 |
0.696 |
51 |
6 |
0 |
1.000 |
| 2 |
5 |
|
[ACO]B:201 |
48 |
1 |
953 |
f |
B |
x,y,z |
1_555 |
81 |
29 |
8820 |
599.0 |
-2.0 |
0.533 |
12 |
0 |
0 |
0.249 |
6 |
|
[ACO]C:201 |
46 |
1 |
977 |
f |
C |
x,y,z |
1_555 |
80 |
29 |
8785 |
592.1 |
-0.3 |
0.623 |
11 |
0 |
0 |
0.249 |
7 |
|
[ACO]G:201 |
47 |
1 |
969 |
f |
G |
x,y,z |
1_555 |
82 |
28 |
8844 |
581.8 |
-1.9 |
0.527 |
11 |
0 |
0 |
0.249 |
8 |
|
[ACO]A:201 |
46 |
1 |
963 |
f |
A |
x,y,z |
1_555 |
81 |
29 |
8766 |
580.8 |
-1.4 |
0.533 |
9 |
0 |
0 |
0.249 |
| Average: |
588.4 |
-1.4 |
0.554 |
11 |
0 |
0 |
0.249 |
| 3 |
9 |
|
G |
38 |
14 |
8844 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
39 |
10 |
8785 |
384.2 |
-2.3 |
0.491 |
3 |
4 |
0 |
0.000 |
| 4 |
10 |
|
E |
28 |
8 |
8785 |
◊ |
D |
x,y,z |
1_555 |
25 |
7 |
8729 |
292.8 |
-5.9 |
0.077 |
1 |
0 |
0 |
0.000 |
11 |
|
G |
26 |
8 |
8844 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
8820 |
286.7 |
-6.0 |
0.069 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
24 |
6 |
8785 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
8766 |
273.1 |
-5.8 |
0.070 |
0 |
0 |
0 |
0.000 |
| Average: |
284.2 |
-5.9 |
0.072 |
1 |
0 |
0 |
0.000 |
| 5 |
13 |
|
F |
22 |
7 |
8892 |
◊ |
F |
x,-y,-z |
4_555 |
22 |
7 |
8892 |
285.3 |
-4.7 |
0.116 |
2 |
0 |
0 |
0.008 |
| 6 |
14 |
|
F |
31 |
10 |
8892 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
36 |
8 |
8729 |
282.9 |
-3.2 |
0.369 |
0 |
0 |
0 |
0.000 |
| 7 |
15 |
|
E |
34 |
10 |
8785 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
29 |
11 |
8766 |
260.8 |
-1.0 |
0.572 |
4 |
1 |
0 |
0.000 |
| 8 |
16 |
|
G |
19 |
4 |
8844 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
24 |
7 |
8820 |
203.7 |
0.1 |
0.665 |
2 |
4 |
0 |
0.000 |
17 |
|
C |
26 |
7 |
8785 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
20 |
5 |
8766 |
198.0 |
-0.4 |
0.637 |
2 |
4 |
0 |
0.000 |
| Average: |
200.9 |
-0.1 |
0.651 |
2 |
4 |
0 |
0.000 |
| 9 |
18 |
|
E |
22 |
7 |
8785 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
8785 |
177.1 |
-2.6 |
0.296 |
1 |
0 |
0 |
0.000 |
19 |
|
G |
20 |
7 |
8844 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
8766 |
176.9 |
-2.7 |
0.274 |
1 |
0 |
0 |
0.000 |
20 |
|
G |
21 |
6 |
8844 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
21 |
7 |
8820 |
176.4 |
-2.7 |
0.285 |
1 |
0 |
0 |
0.000 |
21 |
|
C |
21 |
7 |
8785 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
8820 |
175.8 |
-2.7 |
0.280 |
1 |
0 |
0 |
0.000 |
22 |
|
D |
19 |
5 |
8729 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
8766 |
169.4 |
-2.6 |
0.285 |
1 |
0 |
0 |
0.000 |
23 |
|
F |
18 |
5 |
8892 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
8729 |
169.1 |
-2.6 |
0.289 |
1 |
0 |
0 |
0.000 |
| Average: |
174.1 |
-2.6 |
0.285 |
1 |
0 |
0 |
0.000 |
| 10 |
24 |
|
[GOL]A:203 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
8766 |
129.6 |
-1.0 |
0.479 |
2 |
0 |
0 |
0.035 |
| 11 |
25 |
|
[GOL]G:202 |
6 |
1 |
220 |
f |
G |
x,y,z |
1_555 |
26 |
9 |
8844 |
128.7 |
-0.7 |
0.500 |
2 |
0 |
0 |
0.059 |
| 12 |
26 |
|
[GOL]C:202 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
25 |
9 |
8785 |
126.9 |
-0.6 |
0.525 |
2 |
0 |
0 |
0.038 |
| 13 |
27 |
|
F |
13 |
5 |
8892 |
◊ |
E |
x,-y,-z |
4_555 |
16 |
4 |
8785 |
123.6 |
-2.6 |
0.194 |
1 |
0 |
0 |
0.008 |
| 14 |
28 |
|
[GOL]A:204 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
8766 |
108.3 |
0.4 |
0.602 |
3 |
0 |
0 |
0.017 |
| 15 |
29 |
|
[GOL]G:203 |
6 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
14 |
7 |
8844 |
101.6 |
0.9 |
0.696 |
5 |
0 |
0 |
0.050 |
| 16 |
30 |
|
[GOL]A:202 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
8766 |
99.7 |
0.3 |
0.677 |
4 |
0 |
0 |
0.026 |
| 17 |
31 |
|
[GOL]A:205 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
8766 |
97.1 |
0.3 |
0.683 |
2 |
0 |
0 |
0.010 |
| 18 |
32 |
|
[GOL]G:203 |
6 |
1 |
221 |
◊ |
G |
-x-1,y,-z-1/2 |
3_454 |
15 |
5 |
8844 |
95.0 |
0.3 |
0.638 |
1 |
0 |
0 |
0.006 |
| 19 |
33 |
|
[GOL]A:202 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
8820 |
94.3 |
0.4 |
0.606 |
6 |
0 |
0 |
0.040 |
| 20 |
34 |
|
[GOL]D:201 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8766 |
80.8 |
-1.4 |
0.388 |
0 |
0 |
0 |
0.026 |
| 21 |
35 |
|
[GOL]A:204 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
8820 |
78.7 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.006 |
| 22 |
36 |
|
[GOL]A:206 |
4 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
12 |
3 |
8844 |
76.4 |
-1.4 |
0.331 |
0 |
0 |
0 |
0.051 |
| 23 |
37 |
|
[GOL]B:202 |
4 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
8785 |
74.2 |
-1.4 |
0.316 |
0 |
0 |
0 |
0.035 |
| 24 |
38 |
|
[GOL]A:206 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
8766 |
70.7 |
0.1 |
0.599 |
1 |
0 |
0 |
0.000 |
| 25 |
39 |
|
[ACO]C:201 |
11 |
1 |
977 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
6 |
2 |
8766 |
69.7 |
-0.9 |
0.492 |
1 |
0 |
0 |
0.000 |
40 |
|
G |
5 |
2 |
8844 |
◊ |
[ACO]B:201 |
x-1/2,y-1/2,z |
5_445 |
5 |
1 |
953 |
62.6 |
-2.1 |
0.217 |
3 |
0 |
0 |
0.000 |
| Average: |
66.1 |
-1.5 |
0.354 |
2 |
0 |
0 |
0.000 |
| 26 |
41 |
|
[GOL]B:202 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
8820 |
67.5 |
0.1 |
0.603 |
1 |
0 |
0 |
0.000 |
| 27 |
42 |
|
[GOL]D:201 |
4 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
8729 |
64.0 |
-0.4 |
0.478 |
0 |
0 |
0 |
0.000 |
| 28 |
43 |
|
[ACO]G:201 |
4 |
1 |
969 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
10 |
7 |
8785 |
57.1 |
-2.9 |
0.199 |
0 |
0 |
0 |
0.000 |
44 |
|
E |
4 |
3 |
8785 |
◊ |
[ACO]A:201 |
x-1/2,y+1/2,z |
5_455 |
3 |
1 |
963 |
32.5 |
-1.8 |
0.288 |
0 |
0 |
0 |
0.000 |
| Average: |
44.8 |
-2.4 |
0.243 |
0 |
0 |
0 |
0.000 |
| 29 |
45 |
|
[GOL]C:202 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
8729 |
40.4 |
-0.3 |
0.464 |
0 |
0 |
0 |
0.007 |
| 30 |
46 |
|
[GOL]G:202 |
4 |
1 |
220 |
◊ |
G |
-x-1,y,-z-1/2 |
3_454 |
6 |
2 |
8844 |
37.1 |
-0.0 |
0.494 |
0 |
0 |
0 |
0.001 |
| 31 |
47 |
|
[GOL]A:203 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
8820 |
34.1 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.001 |
| 32 |
48 |
|
G |
6 |
3 |
8844 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
6 |
3 |
8729 |
30.8 |
-0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
49 |
|
F |
2 |
1 |
8892 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
4 |
2 |
8766 |
6.8 |
-0.1 |
0.529 |
0 |
0 |
0 |
0.000 |
| Average: |
18.8 |
-0.1 |
0.565 |
0 |
0 |
0 |
0.000 |
| 33 |
50 |
|
[GOL]A:206 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8820 |
28.8 |
0.4 |
0.725 |
1 |
0 |
0 |
0.000 |
| 34 |
51 |
|
[ACO]C:201 |
3 |
1 |
977 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
3 |
1 |
8820 |
26.7 |
-1.4 |
0.378 |
1 |
0 |
0 |
0.000 |
52 |
|
G |
3 |
1 |
8844 |
◊ |
[ACO]B:201 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
1 |
1 |
953 |
14.4 |
-0.6 |
0.348 |
0 |
0 |
0 |
0.000 |
| Average: |
20.6 |
-1.0 |
0.363 |
1 |
0 |
0 |
0.000 |
| 35 |
53 |
|
[GOL]B:202 |
2 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
8766 |
26.1 |
0.5 |
0.757 |
1 |
0 |
0 |
0.000 |
| 36 |
54 |
|
[GOL]D:201 |
2 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8785 |
19.9 |
0.4 |
0.780 |
0 |
0 |
0 |
0.000 |
| 37 |
55 |
|
[GOL]A:205 |
2 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
8844 |
17.7 |
-0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
| 38 |
56 |
|
B |
2 |
2 |
8820 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
2 |
2 |
8820 |
3.1 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
| 39 |
57 |
|
C |
3 |
1 |
8785 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
8820 |
2.9 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
58 |
|
G |
1 |
1 |
8844 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
1 |
1 |
8820 |
1.1 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
| Average: |
2.0 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
| 40 |
59 |
|
G |
1 |
1 |
8844 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
8766 |
2.1 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
|