| ## |
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 |
|
B |
76 |
20 |
7698 |
◊ |
A |
x,y,z |
1_555 |
77 |
20 |
7733 |
737.1 |
-14.0 |
0.038 |
4 |
0 |
0 |
0.357 |
2 |
|
K |
78 |
20 |
7801 |
◊ |
J |
x,y,z |
1_555 |
76 |
21 |
7678 |
734.9 |
-13.9 |
0.042 |
4 |
0 |
0 |
0.357 |
3 |
|
M |
75 |
21 |
7928 |
◊ |
L |
x,y,z |
1_555 |
77 |
22 |
7736 |
733.7 |
-13.8 |
0.040 |
5 |
0 |
0 |
0.357 |
4 |
|
G |
76 |
19 |
7747 |
◊ |
F |
x,y,z |
1_555 |
75 |
21 |
7719 |
732.1 |
-14.1 |
0.039 |
6 |
0 |
0 |
0.357 |
5 |
|
E |
75 |
20 |
7798 |
◊ |
D |
x,y,z |
1_555 |
78 |
22 |
7713 |
729.3 |
-14.4 |
0.033 |
4 |
0 |
0 |
0.357 |
6 |
|
I |
76 |
19 |
7711 |
◊ |
H |
x,y,z |
1_555 |
76 |
21 |
7790 |
721.9 |
-13.6 |
0.045 |
5 |
0 |
0 |
0.357 |
| Average: |
731.5 |
-13.9 |
0.039 |
5 |
0 |
0 |
0.357 |
| 2 |
7 |
|
J |
42 |
14 |
7678 |
◊ |
F |
x,y,z |
1_555 |
49 |
18 |
7719 |
431.4 |
1.5 |
0.797 |
8 |
4 |
0 |
0.000 |
8 |
|
H |
39 |
15 |
7790 |
◊ |
D |
x,y,z |
1_555 |
39 |
13 |
7713 |
409.8 |
1.3 |
0.777 |
7 |
4 |
0 |
0.000 |
9 |
|
F |
35 |
12 |
7719 |
◊ |
A |
x,y,z |
1_555 |
46 |
16 |
7733 |
400.5 |
0.9 |
0.756 |
8 |
3 |
0 |
0.000 |
10 |
|
L |
37 |
12 |
7736 |
◊ |
D |
x,y,z |
1_555 |
36 |
14 |
7713 |
355.1 |
-0.5 |
0.638 |
5 |
2 |
0 |
0.000 |
11 |
|
L |
36 |
13 |
7736 |
◊ |
H |
x,y,z |
1_555 |
33 |
11 |
7790 |
345.4 |
0.8 |
0.733 |
5 |
3 |
0 |
0.000 |
12 |
|
J |
32 |
12 |
7678 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
7733 |
330.3 |
-0.1 |
0.660 |
4 |
2 |
0 |
0.000 |
| Average: |
378.7 |
0.7 |
0.727 |
6 |
3 |
0 |
0.000 |
| 3 |
13 |
|
M |
44 |
17 |
7928 |
◊ |
K |
x,y,z |
1_555 |
44 |
16 |
7801 |
413.5 |
1.2 |
0.794 |
9 |
3 |
0 |
0.000 |
14 |
|
I |
44 |
16 |
7711 |
◊ |
G |
x,y,z |
1_555 |
42 |
16 |
7747 |
408.1 |
0.8 |
0.770 |
10 |
4 |
0 |
0.000 |
15 |
|
E |
40 |
16 |
7798 |
◊ |
B |
x,y,z |
1_555 |
41 |
16 |
7698 |
395.9 |
1.3 |
0.779 |
10 |
4 |
0 |
0.000 |
| Average: |
405.8 |
1.1 |
0.781 |
10 |
4 |
0 |
0.000 |
| 4 |
16 |
|
F |
40 |
15 |
7719 |
◊ |
L |
x-1,y,z |
1_455 |
36 |
11 |
7736 |
360.9 |
-0.6 |
0.630 |
1 |
0 |
0 |
0.000 |
| 5 |
17 |
|
A |
34 |
12 |
7733 |
◊ |
D |
x-1,y,z |
1_455 |
32 |
11 |
7713 |
295.8 |
-2.5 |
0.429 |
2 |
2 |
0 |
0.000 |
18 |
|
B |
31 |
11 |
7698 |
◊ |
E |
x-1,y,z |
1_455 |
28 |
9 |
7798 |
258.9 |
-2.7 |
0.377 |
1 |
1 |
0 |
0.000 |
| Average: |
277.4 |
-2.6 |
0.403 |
2 |
2 |
0 |
0.000 |
| 6 |
19 |
|
H |
24 |
8 |
7790 |
◊ |
F |
x,y,z |
1_555 |
24 |
8 |
7719 |
270.2 |
1.4 |
0.785 |
10 |
0 |
0 |
0.000 |
20 |
|
D |
24 |
9 |
7713 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
7733 |
251.3 |
0.3 |
0.692 |
7 |
0 |
0 |
0.000 |
21 |
|
L |
26 |
8 |
7736 |
◊ |
J |
x,y,z |
1_555 |
22 |
8 |
7678 |
204.6 |
-0.2 |
0.624 |
4 |
0 |
0 |
0.000 |
| Average: |
242.0 |
0.5 |
0.700 |
7 |
0 |
0 |
0.000 |
| 7 |
22 |
|
G |
19 |
6 |
7747 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
23 |
6 |
7713 |
204.8 |
1.2 |
0.789 |
3 |
3 |
0 |
0.000 |
23 |
|
F |
23 |
6 |
7719 |
◊ |
E |
-x+1,y-1/2,-z-1/2 |
3_644 |
18 |
6 |
7798 |
168.9 |
-1.1 |
0.500 |
3 |
3 |
0 |
0.000 |
| Average: |
186.8 |
0.0 |
0.645 |
3 |
3 |
0 |
0.000 |
| 8 |
24 |
|
B |
21 |
6 |
7698 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
25 |
9 |
7798 |
189.6 |
1.1 |
0.765 |
2 |
0 |
0 |
0.000 |
| 9 |
25 |
|
M |
30 |
7 |
7928 |
◊ |
I |
-x+3/2,-y,z-1/2 |
2_654 |
21 |
8 |
7711 |
181.2 |
-0.8 |
0.565 |
1 |
1 |
0 |
0.000 |
| 10 |
26 |
|
K |
23 |
9 |
7801 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
28 |
8 |
7747 |
175.2 |
-0.7 |
0.601 |
0 |
0 |
0 |
0.000 |
| 11 |
27 |
|
M |
19 |
7 |
7928 |
◊ |
H |
-x+3/2,-y,z-1/2 |
2_654 |
24 |
11 |
7790 |
157.8 |
0.3 |
0.671 |
1 |
0 |
0 |
0.000 |
| 12 |
28 |
|
[SO4]K:400 |
5 |
1 |
184 |
f |
K |
x,y,z |
1_555 |
16 |
6 |
7801 |
102.6 |
-15.4 |
0.799 |
2 |
0 |
0 |
0.347 |
29 |
|
[SO4]M:400 |
5 |
1 |
184 |
f |
M |
x,y,z |
1_555 |
19 |
7 |
7928 |
100.4 |
-14.9 |
0.751 |
3 |
0 |
0 |
0.347 |
| Average: |
101.5 |
-15.1 |
0.775 |
3 |
0 |
0 |
0.347 |
| 13 |
30 |
|
[SO4]I:400 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
20 |
8 |
7711 |
98.5 |
-14.6 |
0.772 |
4 |
0 |
0 |
0.341 |
31 |
|
[SO4]G:400 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
17 |
6 |
7747 |
97.8 |
-14.3 |
0.783 |
2 |
0 |
0 |
0.341 |
| Average: |
98.2 |
-14.5 |
0.778 |
3 |
0 |
0 |
0.341 |
| 14 |
32 |
|
[SO4]H:400 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
19 |
7 |
7790 |
97.5 |
-14.1 |
0.751 |
4 |
0 |
0 |
0.345 |
33 |
|
[SO4]A:400 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
7733 |
97.1 |
-14.6 |
0.749 |
3 |
0 |
0 |
0.345 |
34 |
|
[SO4]D:400 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
7713 |
96.6 |
-14.2 |
0.750 |
1 |
0 |
0 |
0.345 |
| Average: |
97.1 |
-14.3 |
0.750 |
3 |
0 |
0 |
0.345 |
| 15 |
35 |
|
[SO4]B:400 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
7698 |
97.3 |
-14.1 |
0.763 |
1 |
0 |
0 |
0.324 |
36 |
|
[SO4]E:400 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
7798 |
96.4 |
-14.3 |
0.745 |
1 |
0 |
0 |
0.324 |
| Average: |
96.8 |
-14.2 |
0.754 |
1 |
0 |
0 |
0.324 |
| 16 |
37 |
|
[SO4]L:400 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
15 |
6 |
7736 |
96.5 |
-14.7 |
0.756 |
3 |
0 |
0 |
0.332 |
| 17 |
38 |
|
[SO4]F:400 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
7719 |
96.1 |
-14.5 |
0.727 |
1 |
0 |
0 |
0.318 |
| 18 |
39 |
|
[SO4]J:400 |
5 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
18 |
6 |
7678 |
94.6 |
-14.5 |
0.737 |
1 |
0 |
0 |
0.319 |
| 19 |
40 |
|
K |
10 |
4 |
7801 |
◊ |
M |
x-1,y,z |
1_455 |
8 |
2 |
7928 |
88.4 |
0.5 |
0.677 |
0 |
0 |
0 |
0.000 |
| 20 |
41 |
|
J |
8 |
3 |
7678 |
◊ |
E |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
3 |
7798 |
79.5 |
0.6 |
0.740 |
2 |
0 |
0 |
0.000 |
42 |
|
G |
6 |
3 |
7747 |
◊ |
L |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
1 |
7736 |
63.3 |
0.4 |
0.730 |
1 |
0 |
0 |
0.000 |
| Average: |
71.4 |
0.5 |
0.735 |
2 |
0 |
0 |
0.000 |
| 21 |
43 |
|
K |
9 |
3 |
7801 |
◊ |
H |
-x+3/2,-y,z-1/2 |
2_654 |
10 |
5 |
7790 |
76.0 |
0.9 |
0.729 |
1 |
2 |
0 |
0.000 |
| 22 |
44 |
|
K |
6 |
2 |
7801 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
5 |
7790 |
74.8 |
1.2 |
0.820 |
1 |
1 |
0 |
0.000 |
| 23 |
45 |
|
I |
7 |
2 |
7711 |
x |
I |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
7711 |
59.5 |
-0.7 |
0.284 |
0 |
1 |
0 |
0.000 |
| 24 |
46 |
|
K |
8 |
3 |
7801 |
◊ |
I |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
7711 |
58.5 |
-0.6 |
0.467 |
0 |
0 |
0 |
0.000 |
| 25 |
47 |
|
F |
4 |
1 |
7719 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
1 |
7713 |
40.3 |
0.7 |
0.818 |
2 |
0 |
0 |
0.000 |
| 26 |
48 |
|
J |
6 |
1 |
7678 |
◊ |
M |
x-1,y,z |
1_455 |
3 |
2 |
7928 |
38.7 |
0.6 |
0.683 |
0 |
1 |
0 |
0.000 |
| 27 |
49 |
|
K |
3 |
1 |
7801 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
7719 |
35.7 |
-0.6 |
0.280 |
0 |
0 |
0 |
0.000 |
| 28 |
50 |
|
K |
2 |
1 |
7801 |
◊ |
I |
-x+3/2,-y,z-1/2 |
2_654 |
3 |
1 |
7711 |
34.0 |
1.3 |
0.831 |
1 |
0 |
0 |
0.000 |
| 29 |
51 |
|
M |
2 |
1 |
7928 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
2 |
7713 |
24.9 |
0.5 |
0.447 |
0 |
0 |
0 |
0.000 |
| 30 |
52 |
|
J |
3 |
3 |
7678 |
◊ |
L |
x-1,y,z |
1_455 |
2 |
1 |
7736 |
20.9 |
0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
| 31 |
53 |
|
M |
4 |
2 |
7928 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
2 |
7698 |
14.3 |
0.2 |
0.625 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
G |
2 |
2 |
7747 |
◊ |
E |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
2 |
7798 |
3.6 |
-0.1 |
0.504 |
0 |
0 |
0 |
0.000 |
|