## |
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 |
|
K |
152 |
41 |
6934 |
◊ |
J |
x,y,z |
1_555 |
147 |
29 |
7933 |
1591.8 |
-29.8 |
0.058 |
8 |
4 |
0 |
1.000 |
2 |
|
O |
173 |
42 |
6929 |
◊ |
N |
x,y,z |
1_555 |
143 |
28 |
8448 |
1571.9 |
-27.1 |
0.125 |
9 |
8 |
0 |
1.000 |
3 |
|
C |
160 |
41 |
7085 |
◊ |
B |
x,y,z |
1_555 |
133 |
28 |
8363 |
1548.8 |
-30.1 |
0.063 |
7 |
5 |
0 |
1.000 |
Average: |
1570.8 |
-29.0 |
0.082 |
8 |
6 |
0 |
1.000 |
2 |
4 |
|
G |
175 |
41 |
7098 |
◊ |
F |
x,y,z |
1_555 |
132 |
30 |
8619 |
1573.2 |
-28.3 |
0.110 |
11 |
5 |
0 |
1.000 |
3 |
5 |
|
D |
142 |
38 |
6860 |
◊ |
B |
x,y,z |
1_555 |
122 |
30 |
8363 |
1436.2 |
-26.8 |
0.095 |
3 |
2 |
0 |
1.000 |
6 |
|
H |
129 |
37 |
7265 |
◊ |
F |
x,y,z |
1_555 |
133 |
31 |
8619 |
1430.2 |
-26.8 |
0.077 |
4 |
3 |
0 |
1.000 |
7 |
|
P |
139 |
35 |
7410 |
◊ |
N |
x,y,z |
1_555 |
126 |
30 |
8448 |
1417.3 |
-26.9 |
0.071 |
3 |
1 |
0 |
1.000 |
8 |
|
L |
119 |
32 |
6846 |
◊ |
J |
x,y,z |
1_555 |
100 |
23 |
7933 |
1141.7 |
-25.1 |
0.031 |
2 |
2 |
0 |
1.000 |
Average: |
1356.3 |
-26.4 |
0.069 |
3 |
2 |
0 |
1.000 |
4 |
9 |
|
N |
139 |
25 |
8448 |
◊ |
M |
x,y,z |
1_555 |
153 |
44 |
10001 |
1430.4 |
-22.1 |
0.127 |
10 |
10 |
0 |
0.640 |
5 |
10 |
|
J |
123 |
24 |
7933 |
◊ |
I |
x,y,z |
1_555 |
148 |
42 |
9627 |
1410.5 |
-21.9 |
0.126 |
6 |
6 |
0 |
0.624 |
11 |
|
F |
125 |
24 |
8619 |
◊ |
E |
x,y,z |
1_555 |
145 |
43 |
10087 |
1400.8 |
-23.3 |
0.072 |
5 |
7 |
0 |
0.624 |
12 |
|
B |
133 |
25 |
8363 |
◊ |
A |
x,y,z |
1_555 |
153 |
44 |
9796 |
1385.9 |
-20.0 |
0.168 |
6 |
9 |
0 |
0.624 |
Average: |
1399.1 |
-21.7 |
0.122 |
6 |
7 |
0 |
0.624 |
6 |
13 |
|
P |
46 |
15 |
7410 |
◊ |
B |
x-1,y,z |
1_455 |
56 |
11 |
8363 |
474.9 |
-4.9 |
0.583 |
3 |
0 |
0 |
0.040 |
14 |
|
H |
44 |
13 |
7265 |
◊ |
J |
x-2,y,z-1 |
1_354 |
46 |
10 |
7933 |
394.8 |
-3.6 |
0.628 |
1 |
0 |
0 |
0.040 |
15 |
|
F |
43 |
9 |
8619 |
◊ |
L |
x-2,y,z-1 |
1_354 |
38 |
12 |
6846 |
357.4 |
-3.2 |
0.603 |
2 |
0 |
0 |
0.040 |
Average: |
409.0 |
-3.9 |
0.605 |
2 |
0 |
0 |
0.040 |
7 |
16 |
|
K |
50 |
16 |
6934 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
41 |
13 |
10087 |
467.2 |
-1.6 |
0.642 |
4 |
4 |
0 |
0.000 |
8 |
17 |
|
H |
34 |
10 |
7265 |
◊ |
L |
x-2,y,z-1 |
1_354 |
44 |
11 |
6846 |
369.7 |
-4.1 |
0.434 |
1 |
1 |
0 |
0.033 |
18 |
|
P |
33 |
10 |
7410 |
◊ |
D |
x-1,y,z |
1_455 |
35 |
9 |
6860 |
328.8 |
-3.6 |
0.449 |
3 |
1 |
0 |
0.033 |
Average: |
349.3 |
-3.9 |
0.441 |
2 |
1 |
0 |
0.033 |
9 |
19 |
|
C |
44 |
14 |
7085 |
◊ |
M |
-x+2,y-1/2,-z+1 |
2_746 |
28 |
8 |
10001 |
360.5 |
-1.3 |
0.630 |
1 |
1 |
0 |
0.000 |
10 |
20 |
|
F |
38 |
10 |
8619 |
◊ |
E |
x-1,y,z |
1_455 |
40 |
12 |
10087 |
343.5 |
-4.1 |
0.453 |
1 |
0 |
0 |
0.000 |
11 |
21 |
|
N |
40 |
9 |
8448 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
11 |
6860 |
339.8 |
-3.4 |
0.601 |
1 |
0 |
0 |
0.025 |
12 |
22 |
|
B |
39 |
9 |
8363 |
◊ |
I |
x,y,z |
1_555 |
38 |
13 |
9627 |
333.8 |
-0.8 |
0.767 |
5 |
1 |
0 |
0.000 |
23 |
|
A |
29 |
13 |
9796 |
◊ |
J |
x-1,y,z-1 |
1_454 |
23 |
7 |
7933 |
245.5 |
-0.6 |
0.664 |
4 |
1 |
0 |
0.000 |
Average: |
289.6 |
-0.7 |
0.716 |
5 |
1 |
0 |
0.000 |
13 |
24 |
|
N |
37 |
10 |
8448 |
◊ |
M |
x-1,y,z |
1_455 |
35 |
11 |
10001 |
322.1 |
-2.0 |
0.656 |
1 |
0 |
0 |
0.000 |
14 |
25 |
|
I |
34 |
10 |
9627 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
9 |
10087 |
316.3 |
-1.7 |
0.573 |
2 |
0 |
0 |
0.000 |
15 |
26 |
|
A |
28 |
9 |
9796 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
29 |
10 |
7265 |
282.1 |
-2.3 |
0.484 |
2 |
2 |
0 |
0.000 |
16 |
27 |
|
H |
27 |
7 |
7265 |
◊ |
E |
x-1,y,z |
1_455 |
36 |
11 |
10087 |
278.9 |
-2.1 |
0.495 |
4 |
0 |
0 |
0.000 |
17 |
28 |
|
I |
26 |
9 |
9627 |
◊ |
P |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
9 |
7410 |
278.6 |
-2.9 |
0.405 |
1 |
3 |
0 |
0.000 |
18 |
29 |
|
A |
31 |
9 |
9796 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
8 |
10001 |
278.1 |
0.2 |
0.696 |
1 |
3 |
0 |
0.000 |
19 |
30 |
|
P |
28 |
6 |
7410 |
◊ |
M |
x-1,y,z |
1_455 |
30 |
9 |
10001 |
262.7 |
-1.7 |
0.533 |
5 |
0 |
0 |
0.000 |
31 |
|
D |
27 |
6 |
6860 |
◊ |
I |
x,y,z |
1_555 |
31 |
9 |
9627 |
258.9 |
-1.8 |
0.536 |
5 |
0 |
0 |
0.000 |
32 |
|
A |
24 |
7 |
9796 |
◊ |
L |
x-1,y,z-1 |
1_454 |
27 |
6 |
6846 |
241.1 |
-1.4 |
0.524 |
5 |
0 |
0 |
0.000 |
Average: |
254.3 |
-1.7 |
0.531 |
5 |
0 |
0 |
0.000 |
20 |
33 |
|
G |
22 |
7 |
7098 |
◊ |
E |
x,y,z |
1_555 |
21 |
7 |
10087 |
157.8 |
-1.1 |
0.538 |
0 |
0 |
0 |
0.010 |
21 |
34 |
|
O |
15 |
4 |
6929 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
10087 |
123.4 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
E |
13 |
6 |
10087 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
9796 |
113.3 |
-0.2 |
0.618 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
P |
12 |
4 |
7410 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
4 |
7085 |
112.3 |
0.4 |
0.694 |
0 |
0 |
0 |
0.000 |
37 |
|
H |
7 |
2 |
7265 |
◊ |
K |
x-2,y,z-1 |
1_354 |
6 |
3 |
6934 |
78.5 |
0.5 |
0.740 |
3 |
3 |
0 |
0.000 |
Average: |
95.4 |
0.5 |
0.717 |
2 |
2 |
0 |
0.001 |
24 |
38 |
|
M |
14 |
4 |
10001 |
◊ |
I |
x,y,z |
1_555 |
15 |
4 |
9627 |
108.4 |
-1.5 |
0.442 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
I |
15 |
4 |
9627 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
13 |
5 |
10087 |
105.4 |
-1.8 |
0.363 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
P |
9 |
4 |
7410 |
◊ |
E |
x-1,y,z |
1_455 |
8 |
4 |
10087 |
96.7 |
-0.4 |
0.591 |
2 |
0 |
0 |
0.000 |
27 |
41 |
|
N |
12 |
4 |
8448 |
◊ |
F |
x-1,y,z |
1_455 |
13 |
3 |
8619 |
91.2 |
-0.1 |
0.724 |
2 |
0 |
0 |
0.000 |
28 |
42 |
|
P |
9 |
3 |
7410 |
◊ |
I |
x-1,y,z |
1_455 |
9 |
5 |
9627 |
82.0 |
0.8 |
0.775 |
1 |
0 |
0 |
0.000 |
43 |
|
H |
10 |
4 |
7265 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
9796 |
60.6 |
0.6 |
0.742 |
1 |
0 |
0 |
0.000 |
Average: |
71.3 |
0.7 |
0.758 |
1 |
0 |
0 |
0.000 |
29 |
44 |
|
D |
9 |
4 |
6860 |
◊ |
M |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
3 |
10001 |
79.5 |
0.5 |
0.752 |
1 |
0 |
0 |
0.000 |
30 |
45 |
|
K |
11 |
5 |
6934 |
◊ |
I |
x,y,z |
1_555 |
11 |
4 |
9627 |
77.9 |
0.9 |
0.792 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
11 |
6 |
7085 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9796 |
70.7 |
3.2 |
0.940 |
1 |
0 |
0 |
0.000 |
47 |
|
O |
5 |
3 |
6929 |
◊ |
M |
x,y,z |
1_555 |
9 |
4 |
10001 |
51.5 |
2.0 |
0.905 |
0 |
0 |
0 |
0.000 |
Average: |
66.7 |
2.0 |
0.879 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
[SO4]G:97 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
10087 |
76.6 |
-9.4 |
0.771 |
2 |
0 |
0 |
0.241 |
32 |
49 |
|
[SO4]I:162 |
4 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
8 |
4 |
9627 |
74.5 |
-10.2 |
0.642 |
1 |
0 |
0 |
0.249 |
33 |
50 |
|
[SO4]A:162 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9796 |
72.9 |
-8.6 |
0.884 |
2 |
0 |
0 |
0.239 |
34 |
51 |
|
[SO4]M:162 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
8 |
4 |
10001 |
71.3 |
-8.6 |
0.783 |
2 |
0 |
0 |
0.218 |
35 |
52 |
|
A |
7 |
2 |
9796 |
◊ |
M |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
3 |
10001 |
63.4 |
-0.8 |
0.390 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
F |
7 |
2 |
8619 |
◊ |
N |
x-2,y,z-1 |
1_354 |
8 |
3 |
8448 |
61.2 |
-0.4 |
0.668 |
0 |
0 |
0 |
0.000 |
37 |
54 |
|
H |
6 |
4 |
7265 |
◊ |
M |
x-2,y,z-1 |
1_354 |
12 |
4 |
10001 |
57.3 |
-0.6 |
0.544 |
0 |
0 |
0 |
0.000 |
38 |
55 |
|
F |
4 |
2 |
8619 |
◊ |
M |
x-2,y,z-1 |
1_354 |
8 |
3 |
10001 |
53.4 |
-0.2 |
0.635 |
1 |
1 |
0 |
0.000 |
39 |
56 |
|
[SO4]A:162 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
7085 |
51.0 |
-5.0 |
0.911 |
2 |
0 |
0 |
0.056 |
40 |
57 |
|
[SO4]A:162 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8363 |
50.3 |
-5.3 |
0.928 |
2 |
0 |
0 |
0.156 |
41 |
58 |
|
[SO4]I:162 |
5 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
7933 |
49.5 |
-5.9 |
0.901 |
2 |
0 |
0 |
0.157 |
42 |
59 |
|
[SO4]G:97 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
7098 |
49.4 |
-5.4 |
0.896 |
1 |
0 |
0 |
0.052 |
43 |
60 |
|
[SO4]G:97 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
8619 |
46.0 |
-5.3 |
0.903 |
1 |
0 |
0 |
0.135 |
44 |
61 |
|
[SO4]M:162 |
4 |
1 |
185 |
◊ |
O |
x,y,z |
1_555 |
5 |
2 |
6929 |
45.6 |
-4.9 |
0.874 |
1 |
0 |
0 |
0.068 |
45 |
62 |
|
[SO4]M:162 |
5 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
4 |
2 |
8448 |
44.7 |
-4.9 |
0.913 |
3 |
0 |
0 |
0.143 |
46 |
63 |
|
[SO4]I:162 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
6934 |
44.6 |
-4.7 |
0.884 |
1 |
0 |
0 |
0.048 |
47 |
64 |
|
L |
5 |
2 |
6846 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
2 |
10087 |
39.8 |
0.6 |
0.754 |
0 |
0 |
0 |
0.000 |
48 |
65 |
|
O |
5 |
2 |
6929 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
6860 |
38.0 |
-0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
49 |
66 |
|
I |
7 |
3 |
9627 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
7098 |
34.6 |
-0.7 |
0.493 |
0 |
0 |
0 |
0.000 |
50 |
67 |
|
E |
4 |
3 |
10087 |
◊ |
L |
x-1,y,z-1 |
1_454 |
6 |
3 |
6846 |
34.2 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
68 |
|
D |
1 |
1 |
6860 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
10001 |
10.5 |
-0.0 |
0.455 |
0 |
0 |
0 |
0.000 |
Average: |
22.3 |
0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
51 |
69 |
|
P |
8 |
3 |
7410 |
◊ |
O |
x-1,y,z |
1_455 |
2 |
1 |
6929 |
31.8 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
52 |
70 |
|
H |
4 |
1 |
7265 |
◊ |
G |
x-1,y,z |
1_455 |
4 |
1 |
7098 |
30.5 |
-0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
53 |
71 |
|
I |
6 |
3 |
9627 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
8363 |
29.2 |
-0.3 |
0.629 |
0 |
0 |
0 |
0.000 |
54 |
72 |
|
G |
1 |
1 |
7098 |
◊ |
L |
x-2,y,z-1 |
1_354 |
5 |
1 |
6846 |
26.9 |
0.3 |
0.754 |
0 |
0 |
0 |
0.000 |
55 |
73 |
|
C |
3 |
1 |
7085 |
◊ |
O |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
6929 |
25.5 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
56 |
74 |
|
D |
2 |
1 |
6860 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
6934 |
19.8 |
-0.2 |
0.454 |
0 |
0 |
0 |
0.000 |
57 |
75 |
|
N |
4 |
2 |
8448 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
3 |
10087 |
18.0 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
58 |
76 |
|
A |
3 |
2 |
9796 |
◊ |
O |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
6929 |
13.2 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
59 |
77 |
|
G |
3 |
2 |
7098 |
◊ |
M |
x-1,y,z-1 |
1_454 |
4 |
2 |
10001 |
9.7 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
60 |
78 |
|
A |
1 |
1 |
9796 |
◊ |
L |
x-2,y,z-1 |
1_354 |
1 |
1 |
6846 |
6.9 |
0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
79 |
|
I |
1 |
1 |
9627 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
6860 |
0.8 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
Average: |
3.8 |
0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
61 |
80 |
|
N |
2 |
1 |
8448 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
7085 |
3.7 |
0.1 |
0.785 |
0 |
0 |
0 |
0.000 |
62 |
81 |
|
P |
1 |
1 |
7410 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
8619 |
2.8 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
|